data_r5qb3sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2018-01-10 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5qb3 
_cell.length_a      89.4860 
_cell.length_b      108.3040 
_cell.length_c      124.5690 
_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   0.918400 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.604 
_diffrn_reflns.pdbx_d_res_low    81.732 
_diffrn_reflns.limit_h_max       55 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       67 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       77 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            157073 
_diffrn_reflns.pdbx_number_obs   156852 
# 
_entry.id   5qb3 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5qb3 
_symmetry.space_group_name_H-M   "P 21 21 21" 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "X+1/2,  -Y+1/2,  -Z" 
3 "-X,  Y+1/2,  -Z+1/2" 
4 "-X+1/2,  -Y,  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.intensity_meas 
_refln.intensity_sigma 
_refln.F_calc 
_refln.phase_calc 
1 1 1 0  0  6  o 187.7000       7.388000      1620.246      0.0    
1 1 1 0  0  8  o 70.25000       2.839000      557.7549      180.0  
1 1 1 0  0  10 f 267.2000       10.53000      1967.212      0.0    
1 1 1 0  0  12 o 1857.000       72.68000      6940.447      0.0    
1 1 1 0  0  14 o 68.55000       2.888000      264.4638      180.0  
1 1 1 0  0  16 o 225.3000       8.977000      1707.919      0.0    
1 1 1 0  0  20 o 22.18000       1.366000      515.7611      0.0    
1 1 1 0  0  22 o 210.4000       8.456000      2569.664      180.0  
1 1 1 0  0  24 o 291.2000       11.62000      3178.856      0.0    
1 1 1 0  0  26 o 777.2000       30.59000      4396.850      180.0  
1 1 1 0  0  28 o 58.04000       2.910000      897.1033      0.0    
1 1 1 0  0  30 o 2270.000       88.95000      7432.027      180.0  
1 1 1 0  0  32 o 1415.000       55.57000      5840.926      0.0    
1 1 1 0  0  34 o 1248.000       49.09000      4486.722      180.0  
1 1 1 0  0  36 o 27.26000       3.783000      1008.998      180.0  
1 1 1 0  0  38 o 515.9000       20.60000      3070.521      0.0    
1 1 1 0  0  40 o 171.1000       7.350000      2317.762      0.0    
1 1 1 0  0  42 o 329.6000       13.41000      2759.083      180.0  
1 1 1 0  0  44 o 203.1000       8.568000      1999.776      0.0    
1 1 1 0  0  46 o 217.3000       12.95000      1886.944      0.0    
1 1 1 0  0  48 o 17.37000       3.376000      203.0000      0.0    
1 1 1 0  0  50 o 6.268000       2.220000      399.7044      180.0  
1 1 1 0  0  54 f 496.5000       20.09000      ?             ?      
1 1 1 0  0  56 o 65.87000       4.117000      1022.576      0.0    
1 1 1 0  0  58 o 12.65000       2.853000      586.9986      180.0  
1 1 1 0  0  60 o 29.56000       3.427000      935.2257      180.0  
1 1 1 0  0  62 o 22.61000       3.383000      651.7725      0.0    
1 1 1 0  0  64 o 5.343000       2.846000      ?             ?      
1 1 1 0  0  66 o 5.758000       3.890000      ?             ?      
1 1 1 0  0  70 o 19.36000       3.173000      ?             ?      
1 1 1 0  0  72 o 7.274000       2.944000      ?             ?      
1 1 1 0  0  74 o 4.820000       2.940000      ?             ?      
1 1 1 0  0  76 o 12.74000       3.245000      ?             ?      
1 1 1 0  1  4  o 7.217000       0.3624000     712.1966      -90.0  
1 1 1 0  1  5  o 441.7000       12.25000      2069.163      90.0   
1 1 1 0  1  6  o 128.0000       3.576000      2192.057      90.0   
1 1 1 0  1  7  o 68.80000       1.958000      1416.506      -90.0  
1 1 1 0  1  8  o 177.0000       4.945000      1154.585      90.0   
1 1 1 0  1  9  o 619.4000       17.17000      2736.647      -90.0  
1 1 1 0  1  10 o 4.008000       0.3812000     1406.095      -90.0  
1 1 1 0  1  11 o 44.18000       1.345000      1192.778      90.0   
1 1 1 0  1  12 o 280.1000       7.824000      2540.318      -90.0  
1 1 1 0  1  13 o 999.3000       27.69000      5918.146      90.0   
1 1 1 0  1  14 o 1415.000       39.18000      5081.051      -90.0  
1 1 1 0  1  15 o 69.10000       2.071000      1451.648      90.0   
1 1 1 0  1  16 o 265.4000       7.450000      2230.260      90.0   
1 1 1 0  1  17 o 76.82000       2.657000      1626.813      -90.0  
1 1 1 0  1  18 o 48.90000       3.163000      1211.952      90.0   
1 1 1 0  1  19 o 58.18000       2.148000      1317.190      90.0   
1 1 1 0  1  20 o 6.170000       0.6949000     248.5305      90.0   
1 1 1 0  1  21 o 74.80000       2.287000      838.3273      -90.0  
1 1 1 0  1  22 o 5.020000       0.7418000     472.4889      -90.0  
1 1 1 0  1  23 o 59.10000       1.915000      1331.736      -90.0  
1 1 1 0  1  24 o 5.374000       0.8120000     431.7507      -90.0  
1 1 1 0  1  25 o 119.6000       3.543000      1747.928      90.0   
1 1 1 0  1  26 o 224.9000       6.421000      2008.599      -90.0  
1 1 1 0  1  27 o 537.7000       15.04000      3606.885      -90.0  
1 1 1 0  1  28 o 2465.000       68.28000      ?             ?      
1 1 1 0  1  29 o 118.5000       3.609000      1792.167      -90.0  
1 1 1 0  1  30 o 166.8000       4.927000      793.3132      90.0   
1 1 1 0  1  31 o 13.50000       1.290000      314.9023      90.0   
1 1 1 0  1  32 o 486.0000       13.67000      3627.862      -90.0  
1 1 1 0  1  33 o 127.5000       3.965000      1748.848      90.0   
1 1 1 0  1  34 o 474.5000       15.46000      2601.128      -90.0  
1 1 1 0  1  35 o 211.2000       12.46000      1646.565      -90.0  
1 1 1 0  1  36 o 138.9000       8.688000      1522.870      90.0   
1 1 1 0  1  37 o 10.16000       1.869000      824.4800      90.0   
1 1 1 0  1  38 o 383.9000       10.95000      2632.070      90.0   
1 1 1 0  1  39 o 150.2000       4.655000      1339.542      -90.0  
1 1 1 0  1  40 o 6.504000       1.545000      178.6236      -90.0  
1 1 1 0  1  41 o 96.72000       3.293000      1875.510      90.0   
1 1 1 0  1  42 o 84.07000       3.015000      856.5674      90.0   
1 1 1 0  1  43 o 48.16000       2.500000      940.7503      -90.0  
1 1 1 0  1  44 o 10.63000       1.549000      312.9008      -90.0  
1 1 1 0  1  45 o 479.7000       15.71000      ?             ?      
1 1 1 0  1  46 o 392.5000       12.97000      ?             ?      
1 1 1 0  1  47 o 10.37000       1.813000      306.9701      90.0   
1 1 1 0  1  48 o 12.05000       1.827000      787.6641      90.0   
1 1 1 0  1  49 o 22.71000       1.783000      545.3965      90.0   
1 1 1 0  1  50 o 31.37000       2.202000      1110.453      90.0   
1 1 1 0  1  51 o 0.5732000      1.812000      272.1368      -90.0  
1 1 1 0  1  52 o 8.032000       2.518000      526.8355      -90.0  
1 1 1 0  1  53 o 37.04000       2.505000      977.7740      -90.0  
1 1 1 0  1  54 o 110.1000       3.890000      ?             ?      
1 1 1 0  1  55 f 7.452000       1.849000      590.9374      -90.0  
1 1 1 0  1  56 o 7.135000       1.889000      319.5891      -90.0  
1 1 1 0  1  57 o 12.02000       1.950000      409.7087      90.0   
1 1 1 0  1  58 o 69.25000       3.055000      1377.953      -90.0  
1 1 1 0  1  59 f 39.59000       2.502000      1065.145      90.0   
1 1 1 0  1  60 o 117.5000       4.270000      ?             ?      
1 1 1 0  1  61 o 36.72000       2.566000      1077.642      -90.0  
1 1 1 0  1  62 o 22.58000       2.338000      1131.732      -90.0  
1 1 1 0  1  63 o 2.174000       2.028000      ?             ?      
1 1 1 0  1  64 o 8.870000       2.084000      ?             ?      
1 1 1 0  1  65 o 0.3831000      1.994000      ?             ?      
1 1 1 0  1  66 o 7.613000       3.991000      ?             ?      
1 1 1 0  1  67 o 3.683000       3.939000      ?             ?      
1 1 1 0  1  68 o 9.877000       2.430000      ?             ?      
1 1 1 0  1  69 o 2.472000       2.036000      ?             ?      
1 1 1 0  1  70 o 4.554000       2.018000      ?             ?      
1 1 1 0  1  71 o 2.262000       1.973000      ?             ?      
1 1 1 0  1  72 o 13.67000       2.166000      ?             ?      
1 1 1 0  1  73 o 3.499000       2.022000      ?             ?      
1 1 1 0  1  74 o 0.5686000      2.013000      ?             ?      
1 1 1 0  1  75 o 0.7084000      2.067000      ?             ?      
1 1 1 0  1  77 o 0.3290000      2.106000      ?             ?      
1 1 1 0  2  2  o 174.4000       9.674000      1647.272      0.0    
1 1 1 0  2  4  o 3.398000       0.2040000     1923.003      0.0    
1 1 1 0  2  5  o 320.8000       10.27000      1925.992      -180.0 
1 1 1 0  2  6  o 80.06000       2.260000      641.9561      180.0  
1 1 1 0  2  7  o 247.4000       6.882000      1960.277      180.0  
1 1 1 0  2  8  o 0.6248000      0.2767000     34.81003      180.0  
1 1 1 0  2  9  o 322.8000       8.979000      2111.225      0.0    
1 1 1 0  2  10 o 0.4861000      0.3493000     228.6873      180.0  
1 1 1 0  2  11 o 80.65000       2.329000      1122.355      0.0    
1 1 1 0  2  12 o 867.0000       24.03000      4016.333      0.0    
1 1 1 0  2  13 o 168.7000       4.765000      2359.083      -0.0   
1 1 1 0  2  14 o 642.3000       17.84000      3808.780      180.0  
1 1 1 0  2  15 o 602.0000       16.73000      3678.655      -0.0   
1 1 1 0  2  16 o 108.7000       3.635000      1790.006      0.0    
1 1 1 0  2  17 o 270.7000       10.74000      2396.750      0.0    
1 1 1 0  2  18 o 25.46000       1.433000      643.5458      0.0    
1 1 1 0  2  19 o 401.2000       15.87000      2671.222      180.0  
1 1 1 0  2  20 o 300.0000       9.738000      2799.912      0.0    
1 1 1 0  2  21 o 8.657000       0.7626000     342.9196      0.0    
1 1 1 0  2  22 o 8.777000       0.7974000     474.0970      180.0  
1 1 1 0  2  23 o 293.4000       8.274000      2410.940      -0.0   
1 1 1 0  2  24 o 13.03000       0.9128000     657.3616      0.0    
1 1 1 0  2  25 o 102.2000       3.081000      1613.778      180.0  
1 1 1 0  2  26 o 30.49000       1.310000      41.04088      0.0    
1 1 1 0  2  27 o 44.61000       1.670000      814.7345      180.0  
1 1 1 0  2  28 o 135.4000       4.032000      1517.225      0.0    
1 1 1 0  2  29 o 156.3000       4.611000      2058.594      180.0  
1 1 1 0  2  30 o 88.49000       2.851000      1483.234      180.0  
1 1 1 0  2  31 o 109.7000       3.428000      1404.383      -0.0   
1 1 1 0  2  32 o 207.4000       6.054000      2104.233      0.0    
1 1 1 0  2  33 o 24.79000       1.616000      433.6157      180.0  
1 1 1 0  2  34 o 55.18000       2.603000      830.4997      180.0  
1 1 1 0  2  35 o 58.38000       2.818000      1543.460      0.0    
1 1 1 0  2  36 o 11.99000       1.944000      704.2355      0.0    
1 1 1 0  2  37 o 17.35000       2.006000      575.2823      0.0    
1 1 1 0  2  38 o 206.9000       6.163000      2105.454      0.0    
1 1 1 0  2  39 o 103.7000       3.483000      1124.707      -0.0   
1 1 1 0  2  40 o 72.48000       3.148000      823.2384      0.0    
1 1 1 0  2  41 o 243.8000       8.259000      2398.639      180.0  
1 1 1 0  2  42 o 17.25000       1.665000      876.9343      180.0  
1 1 1 0  2  43 o 53.44000       2.667000      1247.225      180.0  
1 1 1 0  2  44 o 1.501000       1.682000      305.8250      0.0    
1 1 1 0  2  45 o 13.09000       1.565000      360.1879      -180.0 
1 1 1 0  2  46 o 154.5000       4.806000      1643.885      180.0  
1 1 1 0  2  47 o 34.43000       1.946000      768.5549      -0.0   
1 1 1 0  2  48 o 6.854000       1.532000      253.9129      0.0    
1 1 1 0  2  49 o 8.365000       1.575000      357.8781      -0.0   
1 1 1 0  2  50 o 10.01000       2.135000      485.4875      0.0    
1 1 1 0  2  51 o 79.33000       4.154000      1208.837      -0.0   
1 1 1 0  2  52 o 83.45000       6.288000      1618.620      0.0    
1 1 1 0  2  53 o 43.29000       4.749000      1121.327      -0.0   
1 1 1 0  2  54 o 86.68000       3.828000      1283.087      180.0  
1 1 1 0  2  55 o 16.90000       1.969000      606.8178      0.0    
1 1 1 0  2  56 o 12.46000       1.953000      163.1454      0.0    
1 1 1 0  2  57 o 39.85000       2.418000      997.2402      -180.0 
1 1 1 0  2  58 o 156.2000       5.166000      ?             ?      
1 1 1 0  2  59 o 42.41000       2.536000      858.3219      -0.0   
1 1 1 0  2  60 o 5.976000       2.082000      300.6595      180.0  
1 1 1 0  2  61 o 38.68000       2.568000      892.4016      -0.0   
1 1 1 0  2  62 o 3.525000       2.118000      302.4120      0.0    
1 1 1 0  2  63 o 7.295000       2.079000      ?             ?      
1 1 1 0  2  64 o 14.67000       2.142000      ?             ?      
1 1 1 0  2  65 o 6.729000       2.340000      ?             ?      
1 1 1 0  2  66 o 15.91000       2.496000      ?             ?      
1 1 1 0  2  67 o 39.16000       3.054000      ?             ?      
1 1 1 0  2  68 o 12.83000       2.546000      ?             ?      
1 1 1 0  2  69 o 11.13000       2.139000      ?             ?      
1 1 1 0  2  70 o 8.811000       2.093000      ?             ?      
1 1 1 0  2  71 o 3.518000       2.012000      ?             ?      
1 1 1 0  2  72 o 9.592000       2.114000      ?             ?      
1 1 1 0  2  73 o -1.052000      1.990000      ?             ?      
1 1 1 0  2  74 o -1.191000      2.036000      ?             ?      
1 1 1 0  2  75 o 8.934000       2.141000      ?             ?      
1 1 1 0  2  76 o 2.102000       2.120000      ?             ?      
1 1 1 0  2  77 o 6.702000       2.196000      ?             ?      
1 1 1 0  3  1  o 81.99000       4.561000      2402.541      90.0   
1 1 1 0  3  2  o 275.3000       15.25000      2159.472      90.0   
1 1 1 0  3  4  o 8.923000       0.3558000     133.7836      90.0   
1 1 1 0  3  5  o 5.243000       0.3409000     156.2537      90.0   
1 1 1 0  3  6  o 158.7000       4.436000      2220.917      -90.0  
1 1 1 0  3  7  o 4.544000       0.2919000     414.9133      90.0   
1 1 1 0  3  8  o 29.97000       0.9237000     1393.262      -90.0  
1 1 1 0  3  9  o 537.6000       14.91000      3708.785      -90.0  
1 1 1 0  3  10 o 7.653000       0.4399000     779.5229      90.0   
1 1 1 0  3  11 o 147.2000       4.155000      2071.979      90.0   
1 1 1 0  3  12 o 29.78000       0.9977000     1260.046      90.0   
1 1 1 0  3  13 o 158.7000       4.489000      1983.144      -90.0  
1 1 1 0  3  14 o 230.7000       6.480000      2080.626      -90.0  
1 1 1 0  3  15 o 436.4000       12.16000      3262.464      90.0   
1 1 1 0  3  16 o 440.0000       14.16000      2937.848      90.0   
1 1 1 0  3  17 o 2.432000       0.7903000     342.4049      90.0   
1 1 1 0  3  18 o 166.5000       4.753000      2315.149      90.0   
1 1 1 0  3  19 o 37.23000       1.519000      319.6884      90.0   
1 1 1 0  3  20 o 69.36000       2.491000      1033.185      -90.0  
1 1 1 0  3  21 o 16.49000       0.8994000     285.0760      90.0   
1 1 1 0  3  22 o 20.66000       1.006000      509.7650      90.0   
1 1 1 0  3  23 o 69.46000       2.191000      798.9755      -90.0  
1 1 1 0  3  24 o 1.300000       0.7895000     228.5992      -90.0  
1 1 1 0  3  25 o 0.4795000      0.8224000     141.7793      -90.0  
1 1 1 0  3  26 o 67.11000       2.187000      871.4672      -90.0  
1 1 1 0  3  27 o 137.0000       4.054000      1818.979      -90.0  
1 1 1 0  3  28 o 251.6000       7.187000      2612.473      -90.0  
1 1 1 0  3  29 o 193.9000       5.625000      1809.938      90.0   
1 1 1 0  3  30 o 31.91000       1.535000      814.8419      -90.0  
1 1 1 0  3  31 o 35.38000       1.662000      1158.974      -90.0  
1 1 1 0  3  32 o 9.776000       1.335000      701.1736      -90.0  
1 1 1 0  3  33 o 15.80000       1.714000      459.6061      -90.0  
1 1 1 0  3  34 o 10.01000       2.093000      750.5169      -90.0  
1 1 1 0  3  35 o 10.26000       1.812000      667.0438      90.0   
1 1 1 0  3  36 o 299.3000       9.986000      2117.245      -90.0  
1 1 1 0  3  37 o 219.6000       9.217000      2163.725      90.0   
1 1 1 0  3  38 o 361.0000       11.94000      2171.021      90.0   
1 1 1 0  3  39 o 42.34000       2.418000      489.0132      90.0   
1 1 1 0  3  40 o 141.9000       4.484000      1337.641      90.0   
1 1 1 0  3  41 o 34.16000       2.227000      920.5598      90.0   
1 1 1 0  3  42 o 393.2000       11.23000      ?             ?      
1 1 1 0  3  43 o 69.99000       2.645000      1162.272      -90.0  
1 1 1 0  3  44 o 38.42000       1.954000      1096.057      90.0   
1 1 1 0  3  45 o 8.763000       1.484000      626.9942      90.0   
1 1 1 0  3  46 o 230.0000       6.813000      ?             ?      
1 1 1 0  3  47 o 22.91000       1.740000      818.2723      90.0   
1 1 1 0  3  48 o 10.66000       1.567000      726.7805      -90.0  
1 1 1 0  3  49 o 1.014000       1.511000      43.28760      90.0   
1 1 1 0  3  50 o 19.15000       1.981000      555.4202      90.0   
1 1 1 0  3  51 o 162.0000       5.875000      ?             ?      
1 1 1 0  3  52 o 13.64000       2.022000      420.0624      90.0   
1 1 1 0  3  53 o 14.53000       2.749000      435.0650      90.0   
1 1 1 0  3  54 o 0.7940000      2.039000      179.7636      -90.0  
1 1 1 0  3  55 o -0.2082000     2.058000      353.3642      -90.0  
1 1 1 0  3  56 o 16.64000       2.031000      512.3251      -90.0  
1 1 1 0  3  57 o 86.19000       3.427000      1256.259      -90.0  
1 1 1 0  3  58 o 8.122000       2.034000      204.3880      -90.0  
1 1 1 0  3  59 o 0.9237000      1.992000      80.12680      90.0   
1 1 1 0  3  60 o 33.58000       2.463000      1048.131      90.0   
1 1 1 0  3  61 o 3.924000       2.122000      95.61128      -90.0  
1 1 1 0  3  62 o 4.214000       2.121000      168.2616      -90.0  
1 1 1 0  3  63 o 25.42000       2.341000      ?             ?      
1 1 1 0  3  64 o 16.70000       2.219000      ?             ?      
1 1 1 0  3  65 o -0.9045000     2.301000      ?             ?      
1 1 1 0  3  66 o 3.130000       2.308000      ?             ?      
1 1 1 0  3  67 o 4.579000       2.346000      ?             ?      
1 1 1 0  3  68 o 16.77000       3.206000      ?             ?      
1 1 1 0  3  69 o 1.834000       2.388000      ?             ?      
1 1 1 0  3  70 o 2.375000       2.034000      ?             ?      
1 1 1 0  3  71 o 2.277000       2.024000      ?             ?      
1 1 1 0  3  72 o -1.147000      2.016000      ?             ?      
1 1 1 0  3  73 o 0.6931000      2.014000      ?             ?      
1 1 1 0  3  74 o -0.4829000     2.033000      ?             ?      
1 1 1 0  3  75 o 2.546000       2.095000      ?             ?      
1 1 1 0  3  76 o 6.151000       2.126000      ?             ?      
1 1 1 0  3  77 o -1.901000      2.121000      ?             ?      
1 1 1 0  4  3  o 459.4000       18.00000      2562.258      180.0  
1 1 1 0  4  4  o 204.8000       6.576000      1622.116      180.0  
1 1 1 0  4  5  o 2.964000       0.2474000     89.25668      -0.0   
1 1 1 0  4  6  o 43.43000       1.459000      826.8090      180.0  
1 1 1 0  4  7  o 140.2000       3.927000      1107.772      -180.0 
1 1 1 0  4  8  o 207.7000       5.793000      1996.070      0.0    
1 1 1 0  4  9  o 90.37000       2.574000      1493.746      0.0    
1 1 1 0  4  10 o 201.6000       5.643000      2551.128      0.0    
1 1 1 0  4  11 o 403.0000       11.21000      3399.082      -0.0   
1 1 1 0  4  12 o 15.27000       0.6568000     317.9727      0.0    
1 1 1 0  4  13 o 60.11000       1.806000      1297.562      -0.0   
1 1 1 0  4  14 o 228.6000       6.425000      2485.656      180.0  
1 1 1 0  4  15 o 13.53000       0.7965000     211.9834      -180.0 
1 1 1 0  4  16 o 12.73000       0.9644000     409.1126      180.0  
1 1 1 0  4  17 o 131.8000       4.373000      1972.871      180.0  
1 1 1 0  4  18 o 41.27000       1.395000      1034.811      180.0  
1 1 1 0  4  19 o 86.78000       3.005000      2057.354      -180.0 
1 1 1 0  4  20 o 8.920000       1.097000      273.1165      0.0    
1 1 1 0  4  21 o 76.59000       2.724000      1240.260      180.0  
1 1 1 0  4  22 o 1.264000       0.7223000     687.9114      0.0    
1 1 1 0  4  23 o 215.5000       6.136000      1821.541      -0.0   
1 1 1 0  4  24 o 5.620000       0.8197000     519.6085      0.0    
1 1 1 0  4  25 o 22.63000       1.132000      526.1735      180.0  
1 1 1 0  4  26 o 22.04000       1.157000      705.3441      0.0    
1 1 1 0  4  27 o 403.2000       11.34000      2550.243      180.0  
1 1 1 0  4  28 o 338.2000       9.567000      2572.953      0.0    
1 1 1 0  4  29 o 5.717000       1.099000      130.8502      180.0  
1 1 1 0  4  30 o 64.19000       2.264000      873.1255      180.0  
1 1 1 0  4  31 o 90.65000       2.958000      1103.609      -0.0   
1 1 1 0  4  32 o 34.78000       1.734000      1765.081      0.0    
1 1 1 0  4  33 o 61.96000       2.734000      935.2695      180.0  
1 1 1 0  4  34 o 431.0000       17.24000      3374.702      0.0    
1 1 1 0  4  35 o 1.327000       1.810000      295.1432      0.0    
1 1 1 0  4  36 o 20.74000       2.036000      646.5176      180.0  
1 1 1 0  4  37 o 17.60000       2.041000      432.5269      0.0    
1 1 1 0  4  38 o 120.9000       5.581000      1278.736      0.0    
1 1 1 0  4  39 o 43.33000       2.461000      595.5826      -180.0 
1 1 1 0  4  40 o 68.25000       2.619000      1797.379      180.0  
1 1 1 0  4  41 o 78.03000       2.847000      1139.193      -0.0   
1 1 1 0  4  42 o 6.225000       1.497000      293.3313      180.0  
1 1 1 0  4  43 o 10.63000       1.522000      409.3345      0.0    
1 1 1 0  4  44 o 9.213000       1.490000      397.1290      180.0  
1 1 1 0  4  45 o 104.6000       3.493000      1454.329      -180.0 
1 1 1 0  4  46 o 4.132000       1.465000      303.3318      0.0    
1 1 1 0  4  47 o 135.0000       4.308000      1837.449      -0.0   
1 1 1 0  4  48 o 7.406000       1.531000      355.4241      0.0    
1 1 1 0  4  49 o 45.10000       2.502000      915.2792      0.0    
1 1 1 0  4  50 o 0.6307000      2.051000      299.6652      0.0    
1 1 1 0  4  51 o 12.69000       1.914000      470.6509      180.0  
1 1 1 0  4  52 o 8.358000       1.686000      419.1245      180.0  
1 1 1 0  4  53 o 39.46000       2.638000      1034.434      -0.0   
1 1 1 0  4  54 o 4.162000       2.605000      58.64359      180.0  
1 1 1 0  4  55 o 46.42000       2.909000      1048.236      -0.0   
1 1 1 0  4  56 o 40.37000       2.424000      879.1563      180.0  
1 1 1 0  4  57 o 104.7000       4.461000      ?             ?      
1 1 1 0  4  58 o 7.404000       2.300000      219.6539      180.0  
1 1 1 0  4  59 o 10.26000       2.101000      556.3549      180.0  
1 1 1 0  4  60 o 24.39000       2.352000      884.9507      180.0  
1 1 1 0  4  61 o 9.123000       2.189000      595.9285      -180.0 
1 1 1 0  4  62 o 9.226000       2.203000      678.4486      0.0    
1 1 1 0  4  63 o 17.16000       2.268000      ?             ?      
1 1 1 0  4  64 o 37.73000       2.986000      ?             ?      
1 1 1 0  4  65 o 5.480000       2.804000      ?             ?      
1 1 1 0  4  66 o 2.544000       2.318000      ?             ?      
1 1 1 0  4  67 o 2.384000       2.016000      ?             ?      
1 1 1 0  4  68 o 1.767000       2.418000      ?             ?      
1 1 1 0  4  69 o 5.393000       2.401000      ?             ?      
1 1 1 0  4  70 o 1.414000       2.050000      ?             ?      
1 1 1 0  4  71 o 3.873000       2.061000      ?             ?      
1 1 1 0  4  72 o 2.868000       2.085000      ?             ?      
1 1 1 0  4  73 o -0.7944000     2.001000      ?             ?      
1 1 1 0  4  74 o 2.515000       2.053000      ?             ?      
1 1 1 0  4  75 o 0.2917000      2.059000      ?             ?      
1 1 1 0  4  76 o 6.760000       2.174000      ?             ?      
1 1 1 0  4  77 o 2.687000       2.462000      ?             ?      
1 1 1 0  5  1  o 37.78000       1.236000      1211.109      -90.0  
1 1 1 0  5  2  o 59.58000       1.931000      467.2616      -90.0  
1 1 1 0  5  3  o 46.54000       1.886000      857.2648      -90.0  
1 1 1 0  5  4  o 26.55000       0.9069000     657.6644      -90.0  
1 1 1 0  5  5  o 104.0000       3.371000      1750.368      -90.0  
1 1 1 0  5  6  o 48.51000       1.623000      291.6044      90.0   
1 1 1 0  5  7  o 24.85000       0.7810000     669.2231      -90.0  
1 1 1 0  5  8  o 107.0000       3.022000      1480.668      90.0   
1 1 1 0  5  9  o 253.3000       7.062000      2493.816      90.0   
1 1 1 0  5  10 o 503.3000       13.97000      4297.024      90.0   
1 1 1 0  5  11 o 0.3552000      0.3905000     420.2242      -90.0  
1 1 1 0  5  12 o 7.182000       0.4973000     495.7933      -90.0  
1 1 1 0  5  13 o 97.40000       2.811000      1544.946      -90.0  
1 1 1 0  5  14 o 0.7746000      0.4929000     348.4211      -90.0  
1 1 1 0  5  15 o 42.56000       1.581000      954.3833      90.0   
1 1 1 0  5  16 o 3.707000       0.7493000     464.9134      -90.0  
1 1 1 0  5  17 o 9.153000       0.6814000     675.1544      -90.0  
1 1 1 0  5  18 o 22.50000       0.9484000     1059.385      -90.0  
1 1 1 0  5  19 o 123.6000       3.589000      1634.958      -90.0  
1 1 1 0  5  20 o 160.3000       5.323000      2003.351      -90.0  
1 1 1 0  5  21 o 97.86000       3.391000      1969.067      90.0   
1 1 1 0  5  22 o 43.50000       1.533000      917.5499      -90.0  
1 1 1 0  5  23 o 75.58000       2.360000      788.9075      -90.0  
1 1 1 0  5  24 o 173.8000       5.008000      1917.388      -90.0  
1 1 1 0  5  25 o 2.396000       0.8403000     658.8724      -90.0  
1 1 1 0  5  26 o 205.1000       5.896000      1951.498      90.0   
1 1 1 0  5  27 o 8.662000       1.012000      315.2560      -90.0  
1 1 1 0  5  28 o 12.11000       1.124000      771.2288      90.0   
1 1 1 0  5  29 o 8.466000       1.174000      422.0498      -90.0  
1 1 1 0  5  30 o 173.1000       5.110000      1758.119      90.0   
1 1 1 0  5  31 o 212.2000       6.180000      2110.852      90.0   
1 1 1 0  5  32 o 218.2000       7.357000      2527.850      -90.0  
1 1 1 0  5  33 o 177.7000       10.54000      2511.045      90.0   
1 1 1 0  5  34 o 285.0000       11.63000      2647.176      90.0   
1 1 1 0  5  35 o 36.66000       1.983000      751.2755      90.0   
1 1 1 0  5  36 o 5.523000       1.866000      387.1773      90.0   
1 1 1 0  5  37 o 56.04000       2.753000      548.6051      90.0   
1 1 1 0  5  38 o 76.08000       4.035000      501.4430      90.0   
1 1 1 0  5  39 o 12.93000       1.857000      70.02303      -90.0  
1 1 1 0  5  40 o 89.39000       3.118000      1199.779      -90.0  
1 1 1 0  5  41 o 17.93000       1.624000      121.9368      90.0   
1 1 1 0  5  42 o 62.56000       2.483000      1219.166      90.0   
1 1 1 0  5  43 o 5.876000       1.459000      132.4793      -90.0  
1 1 1 0  5  44 o 56.60000       2.343000      1084.658      90.0   
1 1 1 0  5  45 o 4.888000       1.457000      377.9446      -90.0  
1 1 1 0  5  46 o 45.17000       2.121000      966.6478      -90.0  
1 1 1 0  5  47 o 28.47000       1.824000      991.0029      90.0   
1 1 1 0  5  48 o 9.141000       1.774000      374.8168      -90.0  
1 1 1 0  5  49 o 195.4000       6.881000      ?             ?      
1 1 1 0  5  50 o 3.037000       1.761000      331.6594      90.0   
1 1 1 0  5  51 f 31.80000       2.002000      1040.964      90.0   
1 1 1 0  5  52 o 3.163000       1.636000      116.6593      90.0   
1 1 1 0  5  53 o 9.632000       1.773000      337.5916      90.0   
1 1 1 0  5  54 o 10.57000       2.610000      367.0481      -90.0  
1 1 1 0  5  55 o 7.124000       2.131000      436.6022      -90.0  
1 1 1 0  5  56 o -0.2757000     1.851000      177.9892      -90.0  
1 1 1 0  5  57 o 84.10000       3.865000      1206.116      -90.0  
1 1 1 0  5  58 o -0.7268000     2.260000      156.8419      90.0   
1 1 1 0  5  59 o 9.631000       2.435000      513.4017      -90.0  
1 1 1 0  5  60 o 7.152000       2.478000      485.1583      90.0   
1 1 1 0  5  61 o 32.52000       2.576000      985.7201      -90.0  
1 1 1 0  5  62 o 23.26000       2.390000      711.6450      -90.0  
1 1 1 0  5  63 o 6.134000       2.146000      ?             ?      
1 1 1 0  5  64 o 19.57000       2.605000      ?             ?      
1 1 1 0  5  65 o 7.707000       2.377000      ?             ?      
1 1 1 0  5  66 o 18.21000       2.182000      ?             ?      
1 1 1 0  5  67 o 3.713000       2.032000      ?             ?      
1 1 1 0  5  68 o 11.52000       2.523000      ?             ?      
1 1 1 0  5  69 o 11.66000       3.133000      ?             ?      
1 1 1 0  5  70 o 4.421000       2.074000      ?             ?      
1 1 1 0  5  71 o -0.1468000     2.004000      ?             ?      
1 1 1 0  5  72 o 14.63000       2.193000      ?             ?      
1 1 1 0  5  73 o 0.2568000      2.058000      ?             ?      
1 1 1 0  5  74 o 0.7327000      2.036000      ?             ?      
1 1 1 0  5  75 o 9.203000       2.175000      ?             ?      
1 1 1 0  5  76 o 3.873000       2.129000      ?             ?      
1 1 1 0  5  77 o 1.994000       2.483000      ?             ?      
1 1 1 0  6  0  o 84.65000       3.343000      539.9130      -180.0 
1 1 1 0  6  1  o 51.57000       1.679000      926.5914      -180.0 
1 1 1 0  6  2  o 25.65000       0.8662000     712.3487      0.0    
1 1 1 0  6  3  o 14.93000       0.7123000     436.3836      180.0  
1 1 1 0  6  4  o 10.70000       0.5907000     341.0006      0.0    
1 1 1 0  6  5  o 48.36000       1.608000      1586.396      -180.0 
1 1 1 0  6  6  o 70.40000       2.318000      1436.561      180.0  
1 1 1 0  6  7  o 194.5000       6.271000      2575.232      180.0  
1 1 1 0  6  8  o 58.40000       1.698000      1641.871      0.0    
1 1 1 0  6  9  o 48.38000       1.437000      1442.742      180.0  
1 1 1 0  6  10 o 6.863000       0.5287000     25.49013      180.0  
1 1 1 0  6  11 o 270.5000       7.554000      3078.613      180.0  
1 1 1 0  6  12 o 279.0000       7.794000      2352.956      0.0    
1 1 1 0  6  13 o 45.79000       1.432000      722.1506      180.0  
1 1 1 0  6  14 o 20.70000       0.9380000     354.3274      180.0  
1 1 1 0  6  15 o 111.2000       4.508000      2006.312      -0.0   
1 1 1 0  6  16 o 52.11000       1.883000      1167.907      180.0  
1 1 1 0  6  17 o 9.875000       0.6826000     323.9806      180.0  
1 1 1 0  6  18 o 5.927000       0.6540000     115.0158      0.0    
1 1 1 0  6  19 o 38.91000       1.358000      1393.785      180.0  
1 1 1 0  6  20 o 3.068000       0.8232000     382.4752      0.0    
1 1 1 0  6  21 o 2.638000       1.092000      149.4765      -0.0   
1 1 1 0  6  22 o 17.78000       1.124000      389.7351      180.0  
1 1 1 0  6  23 o 53.16000       1.792000      998.0740      180.0  
1 1 1 0  6  24 o 164.4000       4.765000      1807.455      0.0    
1 1 1 0  6  25 o 3.526000       0.8628000     127.7383      180.0  
1 1 1 0  6  26 o 13.33000       1.042000      978.2304      0.0    
1 1 1 0  6  27 o 1.142000       0.9714000     351.0846      180.0  
1 1 1 0  6  28 f 122.6000       3.725000      1457.484      180.0  
1 1 1 0  6  29 o 311.1000       8.848000      2558.947      180.0  
1 1 1 0  6  30 o 6.048000       1.412000      668.5361      0.0    
1 1 1 0  6  31 o 1.963000       1.473000      128.0423      -180.0 
1 1 1 0  6  32 o 2.595000       1.852000      108.7766      180.0  
1 1 1 0  6  33 o 18.57000       3.133000      567.1274      180.0  
1 1 1 0  6  34 o 48.15000       2.592000      632.1582      0.0    
1 1 1 0  6  35 o 10.28000       1.608000      700.0277      180.0  
1 1 1 0  6  36 o 17.63000       1.679000      152.5843      0.0    
1 1 1 0  6  37 o 81.50000       2.932000      1466.485      -0.0   
1 1 1 0  6  38 o 40.08000       2.375000      845.3775      0.0    
1 1 1 0  6  39 o 18.01000       1.914000      809.1854      -180.0 
1 1 1 0  6  40 o 45.82000       2.103000      1094.860      180.0  
1 1 1 0  6  41 f 43.96000       2.052000      1096.674      180.0  
1 1 1 0  6  42 o 22.88000       1.663000      764.1253      180.0  
1 1 1 0  6  43 o 4.459000       1.450000      182.3878      -180.0 
1 1 1 0  6  44 o 14.93000       1.555000      686.3384      180.0  
1 1 1 0  6  45 o 8.706000       1.483000      322.4216      -180.0 
1 1 1 0  6  46 o 30.41000       1.827000      796.6881      180.0  
1 1 1 0  6  47 o 11.60000       1.575000      412.1871      -180.0 
1 1 1 0  6  48 o 32.00000       2.168000      685.3263      180.0  
1 1 1 0  6  49 o 46.93000       3.046000      971.4567      -0.0   
1 1 1 0  6  50 o 14.16000       1.879000      496.3289      180.0  
1 1 1 0  6  51 o 17.24000       1.740000      688.4507      180.0  
1 1 1 0  6  52 o 6.462000       1.655000      400.8778      180.0  
1 1 1 0  6  53 o 9.744000       1.744000      589.0760      -180.0 
1 1 1 0  6  54 o 7.041000       2.119000      199.1655      180.0  
1 1 1 0  6  55 o -4.288000      2.064000      62.89895      0.0    
1 1 1 0  6  56 o 0.3509000      1.861000      115.9622      0.0    
1 1 1 0  6  57 o 17.09000       2.079000      619.7169      180.0  
1 1 1 0  6  58 o 40.59000       2.570000      811.4564      0.0    
1 1 1 0  6  59 o 79.06000       3.924000      ?             ?      
1 1 1 0  6  60 o 33.29000       2.882000      776.3480      0.0    
1 1 1 0  6  61 o 13.51000       2.316000      554.0295      180.0  
1 1 1 0  6  62 o 26.47000       2.776000      ?             ?      
1 1 1 0  6  63 o 10.61000       2.440000      ?             ?      
1 1 1 0  6  64 o 24.69000       3.192000      ?             ?      
1 1 1 0  6  65 o 2.473000       2.342000      ?             ?      
1 1 1 0  6  66 o 1.728000       2.009000      ?             ?      
1 1 1 0  6  67 o 2.097000       2.021000      ?             ?      
1 1 1 0  6  68 o 4.495000       2.078000      ?             ?      
1 1 1 0  6  69 o 4.281000       2.447000      ?             ?      
1 1 1 0  6  70 o 17.98000       2.587000      ?             ?      
1 1 1 0  6  71 o -2.140000      1.980000      ?             ?      
1 1 1 0  6  72 o 9.165000       2.106000      ?             ?      
1 1 1 0  6  73 o 6.141000       2.116000      ?             ?      
1 1 1 0  6  74 f 1.069000       2.085000      ?             ?      
1 1 1 0  6  75 o -1.407000      2.093000      ?             ?      
1 1 1 0  6  76 o -0.8383000     2.441000      ?             ?      
1 1 1 0  6  77 o 0.8018000      4.213000      ?             ?      
1 1 1 0  7  1  o 9.055000       0.3225000     279.0284      90.0   
1 1 1 0  7  2  o 60.02000       1.959000      1298.286      -90.0  
1 1 1 0  7  3  o 6.238000       0.2906000     693.7535      90.0   
1 1 1 0  7  4  o 1.082000       0.3948000     205.3056      -90.0  
1 1 1 0  7  5  o 0.2383000      0.2164000     62.07142      90.0   
1 1 1 0  7  6  o 0.6405000      0.2663000     41.88493      90.0   
1 1 1 0  7  7  o 67.47000       2.242000      1443.781      -90.0  
1 1 1 0  7  8  o 2.289000       0.3804000     427.8768      90.0   
1 1 1 0  7  9  o 143.9000       4.048000      1990.911      90.0   
1 1 1 0  7  10 o 49.37000       1.481000      1756.095      -90.0  
1 1 1 0  7  11 o 6.721000       0.4692000     566.0349      90.0   
1 1 1 0  7  12 o 3.241000       0.4530000     199.4321      90.0   
1 1 1 0  7  13 o 28.84000       1.002000      779.9474      90.0   
1 1 1 0  7  14 o 61.52000       2.135000      1483.157      -90.0  
1 1 1 0  7  15 o 1.577000       0.6785000     89.50728      90.0   
1 1 1 0  7  16 o 11.81000       0.7034000     275.4647      -90.0  
1 1 1 0  7  17 o 22.47000       0.9292000     375.9401      90.0   
1 1 1 0  7  18 o 361.1000       10.10000      2476.120      -90.0  
1 1 1 0  7  19 o 10.69000       0.7468000     264.9759      -90.0  
1 1 1 0  7  20 o 1.428000       0.6778000     4.096823      -90.0  
1 1 1 0  7  21 o 0.7727000      0.8572000     26.85879      -90.0  
1 1 1 0  7  22 o 157.0000       5.261000      1589.175      -90.0  
1 1 1 0  7  23 o 4.612000       0.8164000     345.7198      -90.0  
1 1 1 0  7  24 o 94.32000       2.889000      1579.413      -90.0  
1 1 1 0  7  25 o 14.99000       1.156000      86.04342      -90.0  
1 1 1 0  7  26 o 148.7000       4.381000      1488.841      90.0   
1 1 1 0  7  27 o 1.259000       1.005000      45.97408      90.0   
1 1 1 0  7  28 o 57.37000       2.415000      703.2848      90.0   
1 1 1 0  7  29 o 5.136000       1.344000      588.5300      90.0   
1 1 1 0  7  30 o 35.21000       1.684000      1027.753      90.0   
1 1 1 0  7  31 o 31.00000       2.018000      986.8314      -90.0  
1 1 1 0  7  32 o 11.19000       1.992000      90.09732      -90.0  
1 1 1 0  7  33 o 52.24000       2.534000      1319.823      90.0   
1 1 1 0  7  34 o 236.3000       6.932000      1573.988      90.0   
1 1 1 0  7  35 o 59.15000       2.413000      984.9919      90.0   
1 1 1 0  7  36 o 53.90000       2.273000      1017.033      -90.0  
1 1 1 0  7  37 o 12.61000       1.590000      444.2934      90.0   
1 1 1 0  7  38 o 11.04000       1.827000      699.6508      90.0   
1 1 1 0  7  39 o 6.100000       2.192000      475.7077      -90.0  
1 1 1 0  7  40 o 0.4449000      1.679000      304.3021      90.0   
1 1 1 0  7  41 o 3.202000       1.437000      314.1908      90.0   
1 1 1 0  7  42 o 4.101000       1.419000      218.7087      -90.0  
1 1 1 0  7  43 o 17.09000       1.561000      415.7990      90.0   
1 1 1 0  7  44 o 27.49000       1.751000      632.7963      -90.0  
1 1 1 0  7  45 o 1.502000       1.451000      309.1385      -90.0  
1 1 1 0  7  46 o 16.60000       1.625000      614.3205      -90.0  
1 1 1 0  7  47 o 3.579000       1.493000      189.4962      90.0   
1 1 1 0  7  48 o 37.18000       2.287000      854.4498      90.0   
1 1 1 0  7  49 o 4.885000       1.751000      247.9635      -90.0  
1 1 1 0  7  50 o 3.148000       1.576000      92.30515      -90.0  
1 1 1 0  7  51 o 3.381000       1.598000      132.1417      90.0   
1 1 1 0  7  52 o 2.070000       1.634000      31.69899      -90.0  
1 1 1 0  7  53 o 22.16000       1.939000      500.0177      -90.0  
1 1 1 0  7  54 o 33.53000       2.559000      720.9626      -90.0  
1 1 1 0  7  55 o 25.76000       3.063000      873.9716      -90.0  
1 1 1 0  7  56 o 40.06000       2.774000      884.2128      90.0   
1 1 1 0  7  57 o 2.505000       1.957000      133.4188      90.0   
1 1 1 0  7  58 o 5.856000       2.062000      270.3474      -90.0  
1 1 1 0  7  59 o 16.80000       2.245000      764.3239      90.0   
1 1 1 0  7  60 o 37.06000       2.594000      894.5923      -90.0  
1 1 1 0  7  61 o 13.95000       2.566000      678.2708      -90.0  
1 1 1 0  7  62 o 2.640000       2.342000      ?             ?      
1 1 1 0  7  63 o 0.4357000      2.306000      ?             ?      
1 1 1 0  7  64 o 9.514000       2.853000      ?             ?      
1 1 1 0  7  65 o -1.614000      2.274000      ?             ?      
1 1 1 0  7  66 o 1.349000       2.000000      ?             ?      
1 1 1 0  7  67 o 9.479000       2.097000      ?             ?      
1 1 1 0  7  68 o 2.634000       2.037000      ?             ?      
1 1 1 0  7  69 o -0.9601000     2.387000      ?             ?      
1 1 1 0  7  70 o 0.3797000      2.348000      ?             ?      
1 1 1 0  7  71 o 3.978000       2.054000      ?             ?      
1 1 1 0  7  72 o 0.8752000      2.051000      ?             ?      
1 1 1 0  7  73 o 15.39000       2.274000      ?             ?      
1 1 1 0  7  74 o 0.7470000      2.076000      ?             ?      
1 1 1 0  7  75 o 2.251000       2.122000      ?             ?      
1 1 1 0  7  76 o 6.363000       2.484000      ?             ?      
1 1 1 0  8  0  o 4.508000       0.3553000     471.0593      180.0  
1 1 1 0  8  1  o 38.68000       1.120000      385.6363      -180.0 
1 1 1 0  8  2  o 5.392000       0.3125000     442.1358      180.0  
1 1 1 0  8  3  o 0.3908000      0.1921000     87.83005      180.0  
1 1 1 0  8  4  o 1.254000       0.4407000     380.7990      180.0  
1 1 1 0  8  5  o 7.144000       0.5894000     688.2155      180.0  
1 1 1 0  8  6  o 18.75000       0.7221000     796.9672      180.0  
1 1 1 0  8  7  o 7.945000       0.4549000     840.9473      180.0  
1 1 1 0  8  8  o 87.38000       2.890000      1535.782      0.0    
1 1 1 0  8  9  o 137.6000       3.890000      1730.114      180.0  
1 1 1 0  8  10 o 1.738000       0.4817000     115.2952      0.0    
1 1 1 0  8  11 o 4.311000       0.4369000     412.4052      0.0    
1 1 1 0  8  12 o 29.48000       1.003000      518.2954      180.0  
1 1 1 0  8  13 o 1.265000       0.5215000     357.8971      -0.0   
1 1 1 0  8  14 o 1.409000       0.6260000     339.2132      0.0    
1 1 1 0  8  15 o 66.10000       2.299000      1402.467      -0.0   
1 1 1 0  8  16 o 1.238000       0.5646000     64.64031      180.0  
1 1 1 0  8  17 o 2.554000       0.5940000     279.3394      180.0  
1 1 1 0  8  18 o 2.372000       0.6392000     154.9416      0.0    
1 1 1 0  8  19 o 17.27000       0.8775000     661.7349      0.0    
1 1 1 0  8  20 o 11.05000       0.7877000     277.4905      0.0    
1 1 1 0  8  21 o 2.209000       0.8742000     114.3807      0.0    
1 1 1 0  8  22 o 36.92000       2.033000      659.6409      180.0  
1 1 1 0  8  23 o 25.36000       1.344000      516.7656      -0.0   
1 1 1 0  8  24 o 17.22000       1.213000      483.6230      0.0    
1 1 1 0  8  25 o 5.291000       1.098000      242.5251      180.0  
1 1 1 0  8  26 o 6.654000       1.199000      391.3028      180.0  
1 1 1 0  8  27 o 164.1000       4.835000      1720.087      180.0  
1 1 1 0  8  28 o 7.841000       1.354000      615.7876      180.0  
1 1 1 0  8  29 o 12.06000       1.457000      652.3197      -0.0   
1 1 1 0  8  30 o 13.75000       1.336000      636.0925      180.0  
1 1 1 0  8  31 o 38.26000       2.046000      745.2109      -0.0   
1 1 1 0  8  32 o 6.499000       1.836000      44.41933      0.0    
1 1 1 0  8  33 o 9.573000       1.555000      60.91612      180.0  
1 1 1 0  8  34 o 90.22000       3.115000      1379.175      0.0    
1 1 1 0  8  35 o 61.02000       2.463000      869.8043      -180.0 
1 1 1 0  8  36 o 14.90000       1.597000      278.4536      0.0    
1 1 1 0  8  37 o 58.94000       2.411000      1217.517      0.0    
1 1 1 0  8  38 o 60.18000       2.414000      917.6635      180.0  
1 1 1 0  8  39 o 17.68000       1.900000      639.8391      -0.0   
1 1 1 0  8  40 o 31.64000       2.125000      587.4083      180.0  
1 1 1 0  8  41 o 28.81000       1.756000      675.8145      180.0  
1 1 1 0  8  42 o -0.3717000     1.406000      403.4889      0.0    
1 1 1 0  8  43 o 10.01000       1.493000      586.0949      180.0  
1 1 1 0  8  44 o 46.34000       2.130000      1043.503      180.0  
1 1 1 0  8  45 o 27.68000       1.792000      882.3790      -0.0   
1 1 1 0  8  46 o 77.85000       2.912000      1247.645      180.0  
1 1 1 0  8  47 o 1.262000       1.651000      78.13083      180.0  
1 1 1 0  8  48 o 1.931000       1.935000      24.54351      0.0    
1 1 1 0  8  49 o -0.9112000     1.678000      24.53689      -180.0 
1 1 1 0  8  50 o 0.5586000      1.550000      11.01171      0.0    
1 1 1 0  8  51 o 6.371000       1.628000      347.1630      -180.0 
1 1 1 0  8  52 o -0.5949000     1.642000      159.1637      180.0  
1 1 1 0  8  53 o 6.703000       1.729000      423.8156      180.0  
1 1 1 0  8  54 o 44.22000       2.398000      954.3942      0.0    
1 1 1 0  8  55 o 3.650000       2.186000      321.0197      0.0    
1 1 1 0  8  56 o 11.35000       2.324000      458.2339      0.0    
1 1 1 0  8  57 o 50.13000       2.716000      906.8075      180.0  
1 1 1 0  8  58 o 1.972000       2.019000      82.02973      0.0    
1 1 1 0  8  59 o 4.486000       2.109000      144.7697      180.0  
1 1 1 0  8  60 o 8.873000       2.163000      470.9434      0.0    
1 1 1 0  8  61 o -0.2943000     2.090000      34.44321      -0.0   
1 1 1 0  8  62 o 4.192000       2.355000      ?             ?      
1 1 1 0  8  63 o 1.216000       2.686000      ?             ?      
1 1 1 0  8  64 o -2.837000      2.199000      ?             ?      
1 1 1 0  8  65 o 1.106000       2.231000      ?             ?      
1 1 1 0  8  66 o 3.287000       2.249000      ?             ?      
1 1 1 0  8  67 o -1.813000      2.257000      ?             ?      
1 1 1 0  8  68 o 0.7691000      2.034000      ?             ?      
1 1 1 0  8  69 o -1.064000      2.343000      ?             ?      
1 1 1 0  8  70 o -0.8792000     2.933000      ?             ?      
1 1 1 0  8  71 o -0.6407000     2.348000      ?             ?      
1 1 1 0  8  72 o -2.222000      2.025000      ?             ?      
1 1 1 0  8  73 o 10.77000       2.214000      ?             ?      
1 1 1 0  8  74 o 10.34000       2.204000      ?             ?      
1 1 1 0  8  75 o 1.875000       2.154000      ?             ?      
1 1 1 0  8  76 o -0.5470000     2.451000      ?             ?      
1 1 1 0  9  1  o 13.57000       0.4681000     775.4584      -90.0  
1 1 1 0  9  2  o 10.90000       0.3979000     609.5654      -90.0  
1 1 1 0  9  3  o 3.535000       0.2855000     169.3095      90.0   
1 1 1 0  9  4  o 0.7760000E-01  0.1724000     67.19025      -90.0  
1 1 1 0  9  5  o 10.97000       0.4731000     509.9963      -90.0  
1 1 1 0  9  6  o 0.8942000      0.2617000     277.6897      -90.0  
1 1 1 0  9  7  o 0.5050000      0.3159000     171.4686      90.0   
1 1 1 0  9  8  o 11.90000       0.5943000     854.1284      90.0   
1 1 1 0  9  9  o 37.46000       1.164000      828.3477      90.0   
1 1 1 0  9  10 o 59.31000       1.762000      1020.153      -90.0  
1 1 1 0  9  11 o 1.060000       0.4009000     115.7671      -90.0  
1 1 1 0  9  12 o 1.645000       0.4426000     166.8190      -90.0  
1 1 1 0  9  13 o 17.77000       0.8298000     620.1193      -90.0  
1 1 1 0  9  14 o 0.5179000      0.6129000     334.1033      90.0   
1 1 1 0  9  15 o 0.6227000      0.5351000     12.85095      -90.0  
1 1 1 0  9  16 o 3.806000       0.5851000     35.84562      -90.0  
1 1 1 0  9  17 o 0.8687000      0.5944000     215.1695      90.0   
1 1 1 0  9  18 o 24.98000       1.021000      259.3844      -90.0  
1 1 1 0  9  19 o 17.12000       0.8854000     326.7198      90.0   
1 1 1 0  9  20 o 18.27000       0.9316000     609.4302      90.0   
1 1 1 0  9  21 o 6.939000       0.9376000     231.9181      90.0   
1 1 1 0  9  22 o 60.15000       2.864000      821.1737      -90.0  
1 1 1 0  9  23 o 2.370000       0.9728000     559.5960      -90.0  
1 1 1 0  9  24 o 12.78000       1.156000      136.2848      -90.0  
1 1 1 0  9  25 o 150.1000       4.444000      1491.329      -90.0  
1 1 1 0  9  26 o 106.4000       4.664000      1202.878      90.0   
1 1 1 0  9  27 o 14.46000       1.209000      631.0995      -90.0  
1 1 1 0  9  28 o 12.30000       1.201000      418.1026      90.0   
1 1 1 0  9  29 o 5.785000       1.181000      30.95943      90.0   
1 1 1 0  9  30 o 57.15000       2.183000      1044.257      90.0   
1 1 1 0  9  31 o 4.155000       1.709000      73.83978      90.0   
1 1 1 0  9  32 o 14.75000       1.696000      384.6463      90.0   
1 1 1 0  9  33 o 9.528000       1.502000      161.9076      -90.0  
1 1 1 0  9  34 o 6.934000       1.508000      212.9892      90.0   
1 1 1 0  9  35 o 46.11000       2.114000      987.9099      90.0   
1 1 1 0  9  36 o 18.11000       1.623000      524.9017      -90.0  
1 1 1 0  9  37 o 10.86000       1.526000      186.5996      -90.0  
1 1 1 0  9  38 o 7.104000       1.468000      434.2946      90.0   
1 1 1 0  9  39 o -1.781000      1.712000      64.55357      90.0   
1 1 1 0  9  40 o 0.1480000      2.174000      99.86417      -90.0  
1 1 1 0  9  41 o 10.28000       1.730000      317.6912      -90.0  
1 1 1 0  9  42 o 22.04000       1.655000      576.0909      -90.0  
1 1 1 0  9  43 o 2.078000       1.432000      303.7344      90.0   
1 1 1 0  9  44 o 1.266000       1.437000      105.2650      -90.0  
1 1 1 0  9  45 o -1.239000      1.754000      46.39324      -90.0  
1 1 1 0  9  46 o 9.788000       1.550000      401.6700      90.0   
1 1 1 0  9  47 o 14.57000       1.820000      665.9455      -90.0  
1 1 1 0  9  48 o 3.642000       1.731000      115.1195      90.0   
1 1 1 0  9  49 o 3.389000       1.556000      217.6903      -90.0  
1 1 1 0  9  50 o 6.544000       1.639000      397.6318      90.0   
1 1 1 0  9  51 o 1.222000       1.616000      226.6950      -90.0  
1 1 1 0  9  52 o 7.805000       1.737000      463.2502      90.0   
1 1 1 0  9  53 o 1.771000       1.713000      99.62531      -90.0  
1 1 1 0  9  54 o 14.13000       1.867000      466.5139      -90.0  
1 1 1 0  9  55 o 4.952000       2.204000      285.9772      90.0   
1 1 1 0  9  56 o 26.63000       3.279000      616.9520      90.0   
1 1 1 0  9  57 o -3.694000      2.254000      82.38557      90.0   
1 1 1 0  9  58 o -0.5056000     2.022000      133.1883      -90.0  
1 1 1 0  9  59 o 3.351000       2.065000      17.01951      90.0   
1 1 1 0  9  60 o 2.508000       2.109000      199.1351      -90.0  
1 1 1 0  9  61 o 0.3406000      2.065000      272.0256      90.0   
1 1 1 0  9  62 o -1.796000      2.290000      ?             ?      
1 1 1 0  9  63 o 0.7005000      2.272000      ?             ?      
1 1 1 0  9  64 o -0.7675000     1.966000      ?             ?      
1 1 1 0  9  65 o 3.444000       1.973000      ?             ?      
1 1 1 0  9  66 o -0.9434000     2.229000      ?             ?      
1 1 1 0  9  67 o -0.1564000     2.311000      ?             ?      
1 1 1 0  9  68 o -2.720000      2.312000      ?             ?      
1 1 1 0  9  69 o 0.9538000      2.287000      ?             ?      
1 1 1 0  9  70 o 1.376000       2.381000      ?             ?      
1 1 1 0  9  71 o 1.246000       2.371000      ?             ?      
1 1 1 0  9  72 o -0.5933000     2.077000      ?             ?      
1 1 1 0  9  73 o 1.938000       2.129000      ?             ?      
1 1 1 0  9  74 f 1.985000       2.112000      ?             ?      
1 1 1 0  9  75 o -0.3586000     2.421000      ?             ?      
1 1 1 0  9  76 o 3.958000       2.932000      ?             ?      
1 1 1 0  10 0  o 0.2631000      0.3689000     114.2686      0.0    
1 1 1 0  10 1  o 8.194000       0.3663000     413.5175      180.0  
1 1 1 0  10 2  o 0.1981000      0.3045000     165.2493      0.0    
1 1 1 0  10 3  o 0.1540000E-01  0.1744000     186.4021      -180.0 
1 1 1 0  10 4  o 1.326000       0.2424000     114.4031      0.0    
1 1 1 0  10 5  o 7.346000       0.6544000     289.3036      -180.0 
1 1 1 0  10 6  o 0.3286000      0.5899000     173.2045      180.0  
1 1 1 0  10 7  o 0.1476000      0.3077000     148.8074      -0.0   
1 1 1 0  10 8  o 2.961000       0.4349000     248.9591      0.0    
1 1 1 0  10 9  o 1.898000       0.4385000     90.99583      -0.0   
1 1 1 0  10 10 o 6.057000       0.5470000     75.78139      180.0  
1 1 1 0  10 11 o 1.197000       0.4040000     46.08880      180.0  
1 1 1 0  10 12 o 0.8683000      0.4729000     122.9472      0.0    
1 1 1 0  10 14 o 6.820000       0.6264000     77.62981      0.0    
1 1 1 0  10 15 o 3.626000       0.5538000     28.44797      -0.0   
1 1 1 0  10 16 o 0.6791000      0.5668000     4.559805      180.0  
1 1 1 0  10 17 o 3.253000       0.6168000     198.7498      180.0  
1 1 1 0  10 18 o -0.3273000     0.6288000     38.15582      180.0  
1 1 1 0  10 19 o 6.013000       0.8883000     109.7341      0.0    
1 1 1 0  10 20 o 13.30000       1.005000      325.7204      180.0  
1 1 1 0  10 21 o 5.729000       0.9299000     153.5749      0.0    
1 1 1 0  10 22 o 1.426000       0.9598000     20.52665      0.0    
1 1 1 0  10 24 o 3.632000       1.359000      163.8718      180.0  
1 1 1 0  10 25 o 28.19000       1.899000      307.9203      180.0  
1 1 1 0  10 26 o 4.371000       1.022000      308.8125      180.0  
1 1 1 0  10 27 o 7.141000       1.108000      161.3421      -0.0   
1 1 1 0  10 28 o 60.26000       3.096000      348.0180      0.0    
1 1 1 0  10 29 o 4.017000       1.192000      25.33880      0.0    
1 1 1 0  10 30 o 0.1671000      1.415000      329.4471      180.0  
1 1 1 0  10 31 o 79.51000       3.776000      925.5196      180.0  
1 1 1 0  10 32 o 41.78000       2.237000      1031.489      0.0    
1 1 1 0  10 33 o 4.517000       1.456000      297.6444      0.0    
1 1 1 0  10 34 o 7.015000       1.489000      457.8230      0.0    
1 1 1 0  10 35 o 8.155000       1.520000      220.8788      0.0    
1 1 1 0  10 36 o 35.47000       1.930000      314.5369      0.0    
1 1 1 0  10 37 o 6.438000       1.461000      269.7851      0.0    
1 1 1 0  10 38 o 15.94000       1.564000      334.7702      180.0  
1 1 1 0  10 39 o 4.150000       1.460000      69.89943      0.0    
1 1 1 0  10 40 o 1.504000       1.742000      222.1698      180.0  
1 1 1 0  10 41 o 4.945000       1.716000      263.6735      180.0  
1 1 1 0  10 42 o 2.158000       1.445000      22.66498      180.0  
1 1 1 0  10 43 o 27.45000       1.772000      307.9958      180.0  
1 1 1 0  10 44 o 1.603000       1.434000      79.37982      180.0  
1 1 1 0  10 45 o 6.380000       1.503000      161.3880      -0.0   
1 1 1 0  10 46 o 4.201000       1.532000      183.0684      180.0  
1 1 1 0  10 47 o 21.18000       2.305000      373.4895      180.0  
1 1 1 0  10 48 o 1.684000       1.720000      66.92300      0.0    
1 1 1 0  10 49 o 17.27000       1.728000      267.7373      -0.0   
1 1 1 0  10 50 o -0.4235000     1.567000      113.7109      0.0    
1 1 1 0  10 51 o 4.944000       1.639000      224.4230      180.0  
1 1 1 0  10 52 o 1.315000       1.690000      3.163514      0.0    
1 1 1 0  10 53 o 5.371000       1.737000      223.8698      180.0  
1 1 1 0  10 54 o 0.6580000      1.750000      123.6079      0.0    
1 1 1 0  10 55 o -0.7519000     1.793000      95.66064      0.0    
1 1 1 0  10 56 o 14.53000       2.511000      319.2046      0.0    
1 1 1 0  10 57 o 3.476000       2.266000      221.7224      180.0  
1 1 1 0  10 58 o -0.3955000     2.012000      65.95741      180.0  
1 1 1 0  10 59 o -0.2362000     2.040000      206.7558      180.0  
1 1 1 0  10 60 o 4.974000       2.111000      233.2516      0.0    
1 1 1 0  10 61 o -0.4293000     2.347000      130.1459      -0.0   
1 1 1 0  10 62 o 0.6373000      2.723000      ?             ?      
1 1 1 0  10 63 o 0.8201000      2.251000      ?             ?      
1 1 1 0  10 64 o 4.377000       2.285000      ?             ?      
1 1 1 0  10 65 o -0.3032000     1.924000      ?             ?      
1 1 1 0  10 66 o 3.945000       2.020000      ?             ?      
1 1 1 0  10 67 o 5.305000       2.058000      ?             ?      
1 1 1 0  10 68 o -0.3478000     2.250000      ?             ?      
1 1 1 0  10 69 o -3.001000      2.747000      ?             ?      
1 1 1 0  10 70 o 0.6850000      2.869000      ?             ?      
1 1 1 0  10 71 o 3.859000       4.242000      ?             ?      
1 1 1 0  10 72 o 4.162000       2.434000      ?             ?      
1 1 1 0  10 73 o -1.008000      2.082000      ?             ?      
1 1 1 0  10 74 o 5.914000       2.187000      ?             ?      
1 1 1 0  10 75 o 4.022000       2.444000      ?             ?      
1 1 1 0  10 76 o -3.260000      2.411000      ?             ?      
1 1 1 0  11 1  o 0.3912000      0.2879000     186.1245      -90.0  
1 1 1 0  11 2  o 0.2792000      0.2711000     274.5027      90.0   
1 1 1 0  11 3  o 2.304000       0.3038000     13.63940      90.0   
1 1 1 0  11 4  o 1.254000       0.2793000     63.78959      90.0   
1 1 1 0  11 5  o 1.554000       0.5944000     134.4404      90.0   
1 1 1 0  11 6  o 0.4611000      0.6137000     20.76579      90.0   
1 1 1 0  11 7  o 0.8754000      0.2947000     51.83342      90.0   
1 1 1 0  11 8  o 1.560000       0.3737000     139.4374      -90.0  
1 1 1 0  11 9  o 0.4061000      0.4224000     237.6020      -90.0  
1 1 1 0  11 10 o 0.4850000      0.3523000     155.1643      -90.0  
1 1 1 0  11 11 o 1.076000       0.4038000     69.58261      -90.0  
1 1 1 0  11 12 o 5.168000       0.6637000     40.81955      90.0   
1 1 1 0  11 13 o 1.409000       0.5604000     48.30624      -90.0  
1 1 1 0  11 14 o 1.128000       0.5146000     272.7401      90.0   
1 1 1 0  11 15 o 0.8298000      0.5330000     4.453273      90.0   
1 1 1 0  11 16 o 0.7878000      0.5723000     105.6984      -90.0  
1 1 1 0  11 17 o 3.025000       0.6319000     153.6931      -90.0  
1 1 1 0  11 18 o 1.897000       0.7705000     30.18495      -90.0  
1 1 1 0  11 19 o 6.869000       1.123000      299.0487      -90.0  
1 1 1 0  11 20 o -1.192000      0.8833000     51.75135      90.0   
1 1 1 0  11 21 o 25.65000       1.657000      26.86878      90.0   
1 1 1 0  11 22 o 16.00000       1.439000      399.1073      -90.0  
1 1 1 0  11 23 o 6.951000       1.332000      337.4435      -90.0  
1 1 1 0  11 24 o 2.763000       1.086000      142.0442      -90.0  
1 1 1 0  11 25 o 48.09000       2.613000      831.3839      90.0   
1 1 1 0  11 26 o 54.45000       2.822000      393.9772      -90.0  
1 1 1 0  11 27 o 8.615000       1.156000      32.67663      -90.0  
1 1 1 0  11 28 o 16.10000       1.291000      150.7726      90.0   
1 1 1 0  11 29 o 54.23000       2.387000      991.1244      90.0   
1 1 1 0  11 30 o 13.85000       1.813000      317.1391      90.0   
1 1 1 0  11 31 o 8.765000       1.599000      404.4137      -90.0  
1 1 1 0  11 32 o 25.72000       1.897000      479.2635      90.0   
1 1 1 0  11 33 o 15.73000       1.885000      177.3687      -90.0  
1 1 1 0  11 34 o 16.19000       1.559000      575.9907      -90.0  
1 1 1 0  11 35 o 19.17000       1.635000      386.0720      90.0   
1 1 1 0  11 36 o 8.489000       1.508000      228.5970      -90.0  
1 1 1 0  11 37 o 11.51000       1.501000      291.5374      -90.0  
1 1 1 0  11 38 o 2.120000       1.421000      314.1288      90.0   
1 1 1 0  11 39 o 3.419000       1.445000      132.8323      -90.0  
1 1 1 0  11 40 o 0.4829000      1.698000      29.78828      90.0   
1 1 1 0  11 41 o 1.442000       2.160000      92.38375      90.0   
1 1 1 0  11 42 o 22.10000       1.964000      459.3714      90.0   
1 1 1 0  11 43 o 7.885000       1.470000      342.0169      -90.0  
1 1 1 0  11 44 o 4.867000       1.775000      207.4456      90.0   
1 1 1 0  11 45 o 12.89000       1.589000      314.9838      -90.0  
1 1 1 0  11 46 o -1.418000      1.668000      84.01242      -90.0  
1 1 1 0  11 47 o 9.059000       1.848000      384.3381      90.0   
1 1 1 0  11 48 o -0.4361000     1.553000      169.7321      -90.0  
1 1 1 0  11 49 o 6.506000       1.608000      183.9957      -90.0  
1 1 1 0  11 50 o 13.28000       1.695000      341.9269      90.0   
1 1 1 0  11 51 o 8.846000       1.718000      448.0193      90.0   
1 1 1 0  11 52 o 16.94000       1.858000      547.2875      -90.0  
1 1 1 0  11 53 o 1.784000       1.704000      186.3265      -90.0  
1 1 1 0  11 54 o 4.844000       1.766000      240.4364      -90.0  
1 1 1 0  11 55 o 4.602000       1.814000      294.6390      90.0   
1 1 1 0  11 56 o 3.253000       2.326000      106.1195      -90.0  
1 1 1 0  11 57 o -2.565000      2.904000      166.8884      -90.0  
1 1 1 0  11 58 o 7.390000       2.330000      345.1143      -90.0  
1 1 1 0  11 59 o 4.484000       2.057000      177.7924      90.0   
1 1 1 0  11 60 o 1.236000       2.066000      133.0326      90.0   
1 1 1 0  11 61 o 1.679000       2.368000      ?             ?      
1 1 1 0  11 62 o 2.762000       2.333000      ?             ?      
1 1 1 0  11 63 o 1.725000       2.005000      ?             ?      
1 1 1 0  11 64 o 0.9548000      1.948000      ?             ?      
1 1 1 0  11 65 o 1.045000       1.924000      ?             ?      
1 1 1 0  11 66 f -3.594000      1.933000      ?             ?      
1 1 1 0  11 67 o 3.579000       2.030000      ?             ?      
1 1 1 0  11 68 o 1.681000       1.978000      ?             ?      
1 1 1 0  11 69 o 0.5070000      1.950000      ?             ?      
1 1 1 0  11 70 o 0.7544000      2.293000      ?             ?      
1 1 1 0  11 71 o -1.984000      2.929000      ?             ?      
1 1 1 0  11 72 o -0.7845000     2.408000      ?             ?      
1 1 1 0  11 73 o 3.202000       2.463000      ?             ?      
1 1 1 0  11 74 o -3.111000      2.384000      ?             ?      
1 1 1 0  11 75 o -2.271000      2.853000      ?             ?      
1 1 1 0  11 76 o -0.9111000     2.386000      ?             ?      
1 1 1 0  12 0  o 13.67000       0.7542000     374.7271      0.0    
1 1 1 0  12 1  o 5.914000       0.3774000     605.3627      -180.0 
1 1 1 0  12 2  o 9.199000       0.4247000     230.4733      180.0  
1 1 1 0  12 3  o 3.961000       0.3071000     471.8698      180.0  
1 1 1 0  12 4  o 2.322000       0.3440000     454.2688      180.0  
1 1 1 0  12 5  o 5.605000       0.3544000     403.8170      0.0    
1 1 1 0  12 6  o 5.296000       0.7198000     360.8267      0.0    
1 1 1 0  12 7  o 0.4714000E-01  0.6858000     300.5536      0.0    
1 1 1 0  12 8  o 0.2026000      0.3350000     38.78188      180.0  
1 1 1 0  12 9  o 1.637000       0.4102000     17.58486      -0.0   
1 1 1 0  12 10 o 0.6492000      0.4615000     118.5889      180.0  
1 1 1 0  12 11 o 0.3006000      0.4105000     87.74172      -0.0   
1 1 1 0  12 12 o 9.460000       0.6533000     556.7589      180.0  
1 1 1 0  12 13 o 1.678000       0.5139000     373.6147      180.0  
1 1 1 0  12 14 f 6.438000       0.6888000     235.4109      180.0  
1 1 1 0  12 15 o 3.565000       0.6730000     206.5379      0.0    
1 1 1 0  12 16 o -0.9625000     0.6926000     34.83545      0.0    
1 1 1 0  12 17 o 2.000000       0.6433000     365.3169      -0.0   
1 1 1 0  12 18 o -0.7156000     0.8088000     120.2765      0.0    
1 1 1 0  12 19 o 7.670000       0.9384000     217.5417      180.0  
1 1 1 0  12 20 f 0.4496000      0.7332000     7.377214      0.0    
1 1 1 0  12 21 o 1.645000       0.7784000     127.7921      -180.0 
1 1 1 0  12 22 o 20.97000       1.595000      733.3257      180.0  
1 1 1 0  12 23 o 15.50000       1.254000      615.7529      180.0  
1 1 1 0  12 25 o 6.989000       1.725000      397.9886      -180.0 
1 1 1 0  12 26 o 59.69000       2.533000      1373.917      180.0  
1 1 1 0  12 27 o 14.90000       1.243000      742.2057      0.0    
1 1 1 0  12 28 o 6.184000       1.215000      267.8109      180.0  
1 1 1 0  12 29 o 31.22000       1.859000      612.6134      -0.0   
1 1 1 0  12 30 o 8.158000       1.779000      209.8040      180.0  
1 1 1 0  12 31 o 19.48000       1.780000      594.8384      0.0    
1 1 1 0  12 32 o 1.521000       1.432000      87.51500      0.0    
1 1 1 0  12 33 o 13.44000       1.558000      584.6742      -0.0   
1 1 1 0  12 34 o 16.11000       1.567000      358.4933      0.0    
1 1 1 0  12 35 o 23.47000       1.674000      727.8039      180.0  
1 1 1 0  12 36 o 11.52000       1.524000      311.2287      180.0  
1 1 1 0  12 37 o 3.454000       1.433000      569.4794      180.0  
1 1 1 0  12 38 o 4.264000       1.444000      272.8675      0.0    
1 1 1 0  12 39 o 44.56000       2.069000      735.3476      -0.0   
1 1 1 0  12 40 o 16.21000       1.585000      306.2821      0.0    
1 1 1 0  12 41 o 7.808000       1.822000      279.4675      180.0  
1 1 1 0  12 42 f 18.81000       1.912000      503.4805      0.0    
1 1 1 0  12 43 o 13.09000       1.552000      71.09997      180.0  
1 1 1 0  12 44 o 36.63000       1.995000      513.1021      180.0  
1 1 1 0  12 45 o 17.42000       1.716000      489.5334      -180.0 
1 1 1 0  12 46 o 33.40000       2.279000      841.4980      180.0  
1 1 1 0  12 47 o 4.861000       1.756000      230.8546      -0.0   
1 1 1 0  12 48 o 17.51000       1.738000      575.7777      0.0    
1 1 1 0  12 49 o 0.2684000E-01  1.547000      172.8365      0.0    
1 1 1 0  12 50 o 2.196000       1.594000      113.6335      0.0    
1 1 1 0  12 51 o 3.795000       1.675000      128.2199      -0.0   
1 1 1 0  12 52 o 10.22000       1.790000      208.4395      180.0  
1 1 1 0  12 53 o 3.399000       1.725000      270.7459      -0.0   
1 1 1 0  12 54 o 4.303000       1.771000      172.5847      180.0  
1 1 1 0  12 55 o 3.864000       1.829000      260.1374      -0.0   
1 1 1 0  12 56 o 1.018000       1.882000      21.76484      0.0    
1 1 1 0  12 57 o 1.553000       2.421000      84.59389      180.0  
1 1 1 0  12 58 o -4.721000      2.265000      165.4314      180.0  
1 1 1 0  12 59 o 0.8211000      2.033000      18.03998      -180.0 
1 1 1 0  12 60 o 0.7809000      2.315000      76.84476      180.0  
1 1 1 0  12 61 o 0.5129000      2.805000      ?             ?      
1 1 1 0  12 62 o 0.4609000      2.300000      ?             ?      
1 1 1 0  12 63 o 8.569000       2.083000      ?             ?      
1 1 1 0  12 64 o -4.390000      1.923000      ?             ?      
1 1 1 0  12 65 o 3.408000       1.932000      ?             ?      
1 1 1 0  12 66 o 0.8607000      1.938000      ?             ?      
1 1 1 0  12 67 o 9.375000       2.068000      ?             ?      
1 1 1 0  12 68 o 1.929000       1.981000      ?             ?      
1 1 1 0  12 69 o 3.625000       2.001000      ?             ?      
1 1 1 0  12 70 o 5.737000       2.082000      ?             ?      
1 1 1 0  12 71 o -0.9170000     2.372000      ?             ?      
1 1 1 0  12 72 o -1.082000      3.011000      ?             ?      
1 1 1 0  12 73 o 3.628000       2.941000      ?             ?      
1 1 1 0  12 74 o -0.8130000     2.763000      ?             ?      
1 1 1 0  12 75 o 1.700000       2.846000      ?             ?      
1 1 1 0  12 76 o -2.792000      2.423000      ?             ?      
1 1 1 0  13 1  o 81.76000       2.333000      1513.134      -90.0  
1 1 1 0  13 2  o 2.568000       0.3445000     277.8115      -90.0  
1 1 1 0  13 3  o 98.34000       2.791000      1559.705      90.0   
1 1 1 0  13 4  o 2.299000       0.2543000     215.4171      90.0   
1 1 1 0  13 5  o 3.744000       0.3528000     297.1554      90.0   
1 1 1 0  13 6  o 2.991000       0.7081000     479.4603      90.0   
1 1 1 0  13 7  o 7.504000       0.8055000     595.2747      90.0   
1 1 1 0  13 8  o 1.961000       0.3256000     471.6149      90.0   
1 1 1 0  13 9  o -0.1802000     0.3806000     175.9789      -90.0  
1 1 1 0  13 10 o 8.412000       0.5659000     329.5622      -90.0  
1 1 1 0  13 11 o 6.490000       0.5931000     626.6545      -90.0  
1 1 1 0  13 12 o 41.90000       2.489000      936.2987      -90.0  
1 1 1 0  13 13 o 3.605000       1.029000      124.8085      -90.0  
1 1 1 0  13 14 o 13.26000       0.6899000     489.0056      -90.0  
1 1 1 0  13 15 o 16.32000       0.9505000     571.0093      -90.0  
1 1 1 0  13 16 o 28.62000       1.552000      859.2790      90.0   
1 1 1 0  13 17 o 2.636000       0.6549000     188.5185      90.0   
1 1 1 0  13 18 o 127.5000       4.329000      1640.476      -90.0  
1 1 1 0  13 19 o 1.086000       0.7037000     45.78223      -90.0  
1 1 1 0  13 20 o 8.998000       0.8170000     127.1647      90.0   
1 1 1 0  13 21 o 83.17000       3.007000      1132.951      -90.0  
1 1 1 0  13 22 o 48.80000       2.039000      1126.050      -90.0  
1 1 1 0  13 23 o 0.2402000      0.8885000     32.78323      -90.0  
1 1 1 0  13 24 o -0.9453000     1.167000      87.33567      90.0   
1 1 1 0  13 25 o 38.94000       1.946000      858.3949      -90.0  
1 1 1 0  13 26 o 240.5000       8.044000      1930.518      -90.0  
1 1 1 0  13 27 o 83.20000       3.905000      1399.934      90.0   
1 1 1 0  13 28 o 119.5000       5.250000      1256.241      90.0   
1 1 1 0  13 29 o 1.350000       1.459000      313.2555      -90.0  
1 1 1 0  13 30 o 11.22000       1.611000      83.75282      -90.0  
1 1 1 0  13 31 o 116.1000       3.733000      1207.674      90.0   
1 1 1 0  13 32 o 47.46000       2.126000      824.9340      90.0   
1 1 1 0  13 33 o 10.64000       1.494000      324.5718      -90.0  
1 1 1 0  13 34 o 29.68000       1.780000      383.5726      -90.0  
1 1 1 0  13 35 o 0.4004000      1.427000      117.1715      90.0   
1 1 1 0  13 36 o 35.49000       1.857000      619.2836      90.0   
1 1 1 0  13 37 o 43.43000       2.045000      796.1512      90.0   
1 1 1 0  13 38 o 84.80000       2.998000      1252.057      90.0   
1 1 1 0  13 39 o 4.449000       1.448000      191.9170      -90.0  
1 1 1 0  13 40 o 11.97000       1.517000      213.7782      90.0   
1 1 1 0  13 41 o 92.21000       3.755000      1430.673      90.0   
1 1 1 0  13 42 o 12.39000       2.348000      360.5245      90.0   
1 1 1 0  13 43 o 64.94000       3.004000      955.9561      -90.0  
1 1 1 0  13 44 o 13.27000       1.599000      372.7538      -90.0  
1 1 1 0  13 45 o 8.700000       1.736000      466.8197      -90.0  
1 1 1 0  13 46 o 24.34000       2.343000      812.2272      90.0   
1 1 1 0  13 47 o 5.243000       1.586000      117.9770      90.0   
1 1 1 0  13 48 o 16.39000       1.718000      405.4663      90.0   
1 1 1 0  13 49 o 11.01000       1.644000      564.2858      90.0   
1 1 1 0  13 50 o 3.223000       1.597000      162.4958      90.0   
1 1 1 0  13 51 o 19.15000       1.853000      619.4417      -90.0  
1 1 1 0  13 52 o 1.699000       1.679000      114.8086      -90.0  
1 1 1 0  13 53 o 4.900000       1.752000      195.5128      90.0   
1 1 1 0  13 54 o 1.611000       1.783000      125.6604      90.0   
1 1 1 0  13 55 o -0.6691000     1.809000      26.93478      90.0   
1 1 1 0  13 56 o 4.629000       1.909000      142.8798      -90.0  
1 1 1 0  13 57 o 2.658000       2.398000      192.9965      -90.0  
1 1 1 0  13 58 o 4.135000       3.033000      185.8857      90.0   
1 1 1 0  13 59 o 1.499000       2.317000      139.2991      -90.0  
1 1 1 0  13 60 o 3.021000       2.370000      21.23430      -90.0  
1 1 1 0  13 61 o 5.519000       2.395000      ?             ?      
1 1 1 0  13 62 o 2.963000       2.038000      ?             ?      
1 1 1 0  13 63 o -0.6103000     1.994000      ?             ?      
1 1 1 0  13 64 o 3.428000       1.957000      ?             ?      
1 1 1 0  13 65 o 4.210000       1.937000      ?             ?      
1 1 1 0  13 66 o -1.563000      1.961000      ?             ?      
1 1 1 0  13 67 o 2.632000       2.016000      ?             ?      
1 1 1 0  13 68 o 3.174000       1.993000      ?             ?      
1 1 1 0  13 69 o 7.070000       2.073000      ?             ?      
1 1 1 0  13 70 o -1.224000      1.976000      ?             ?      
1 1 1 0  13 71 o 6.378000       2.085000      ?             ?      
1 1 1 0  13 72 o 2.067000       2.439000      ?             ?      
1 1 1 0  13 73 o 1.502000       2.870000      ?             ?      
1 1 1 0  13 74 o 2.313000       2.808000      ?             ?      
1 1 1 0  13 75 o 1.174000       2.373000      ?             ?      
1 1 1 0  14 0  o 1.008000       0.5356000     187.0789      0.0    
1 1 1 0  14 1  o 90.30000       2.571000      1548.938      180.0  
1 1 1 0  14 2  o 1.348000       0.3585000     69.23739      180.0  
1 1 1 0  14 3  o 10.33000       0.4818000     789.9453      -180.0 
1 1 1 0  14 4  o 15.42000       0.5703000     366.6957      180.0  
1 1 1 0  14 5  o 0.2327000      0.2169000     142.1999      0.0    
1 1 1 0  14 6  o 38.55000       1.780000      1223.762      180.0  
1 1 1 0  14 7  o 0.3347000      0.7293000     306.7787      180.0  
1 1 1 0  14 8  o 0.8440000      0.7583000     226.7865      0.0    
1 1 1 0  14 9  o 5.623000       0.4463000     98.48049      0.0    
1 1 1 0  14 10 o 22.27000       1.813000      749.8782      0.0    
1 1 1 0  14 11 o 54.52000       3.160000      924.7433      -0.0   
1 1 1 0  14 12 o 47.02000       1.663000      1225.860      0.0    
1 1 1 0  14 13 o 10.57000       0.7426000     423.1511      0.0    
1 1 1 0  14 14 o 10.40000       0.9035000     677.0533      0.0    
1 1 1 0  14 15 o 19.64000       0.8509000     560.0417      180.0  
1 1 1 0  14 16 o 21.52000       0.9271000     1245.752      0.0    
1 1 1 0  14 17 o 182.1000       5.203000      1868.025      -0.0   
1 1 1 0  14 18 o 22.10000       1.213000      521.8317      0.0    
1 1 1 0  14 19 o 4.701000       0.7369000     84.43065      0.0    
1 1 1 0  14 20 o 12.95000       1.104000      595.9677      180.0  
1 1 1 0  14 21 o 12.94000       1.160000      832.5306      0.0    
1 1 1 0  14 22 o 5.500000       0.8809000     269.5922      0.0    
1 1 1 0  14 23 o 13.86000       1.292000      342.8492      180.0  
1 1 1 0  14 24 o 73.43000       2.830000      1631.613      0.0    
1 1 1 0  14 25 o 1.772000       1.755000      42.49156      180.0  
1 1 1 0  14 26 o 102.3000       3.753000      997.9058      180.0  
1 1 1 0  14 27 o 32.25000       2.271000      835.7163      -0.0   
1 1 1 0  14 28 o 6.982000       1.421000      137.8791      180.0  
1 1 1 0  14 29 o 5.313000       1.704000      49.20174      0.0    
1 1 1 0  14 30 o 114.7000       4.203000      1778.048      180.0  
1 1 1 0  14 31 o 28.78000       1.969000      380.6380      180.0  
1 1 1 0  14 32 o 55.80000       2.600000      974.7381      0.0    
1 1 1 0  14 33 o 2.828000       1.425000      68.57052      180.0  
1 1 1 0  14 34 o 21.69000       1.631000      749.1191      180.0  
1 1 1 0  14 35 o 39.07000       1.941000      612.6153      -0.0   
1 1 1 0  14 36 o 23.57000       1.678000      502.2606      180.0  
1 1 1 0  14 37 o 2.535000       1.451000      99.95612      -180.0 
1 1 1 0  14 38 o 2.613000       1.427000      496.1244      180.0  
1 1 1 0  14 39 o 19.83000       1.615000      268.9083      180.0  
1 1 1 0  14 40 o 1.839000       1.408000      128.5372      0.0    
1 1 1 0  14 41 o 10.70000       1.529000      411.5862      -180.0 
1 1 1 0  14 42 o 22.97000       2.559000      445.1618      0.0    
1 1 1 0  14 43 o -0.3984000     1.693000      63.40647      0.0    
1 1 1 0  14 44 o 16.85000       1.652000      648.6505      180.0  
1 1 1 0  14 45 o 18.51000       1.874000      674.9395      180.0  
1 1 1 0  14 46 o 21.86000       1.963000      554.5539      180.0  
1 1 1 0  14 47 o 6.575000       1.567000      527.6526      -180.0 
1 1 1 0  14 48 o 46.67000       2.271000      995.4197      180.0  
1 1 1 0  14 49 o 2.129000       1.574000      197.5981      -180.0 
1 1 1 0  14 50 o 19.79000       1.792000      542.5041      0.0    
1 1 1 0  14 51 o 3.301000       1.636000      127.2488      180.0  
1 1 1 0  14 52 o -0.4791000     1.650000      0.7818246     180.0  
1 1 1 0  14 53 o 20.98000       1.957000      614.7217      180.0  
1 1 1 0  14 54 o 4.756000       1.808000      250.9856      180.0  
1 1 1 0  14 55 o 3.657000       1.871000      391.9945      -0.0   
1 1 1 0  14 56 o 3.227000       1.940000      414.9622      180.0  
1 1 1 0  14 57 o 3.685000       2.008000      294.7974      -180.0 
1 1 1 0  14 58 o 1.658000       2.462000      117.4168      180.0  
1 1 1 0  14 59 o -0.8548000     2.377000      13.96930      180.0  
1 1 1 0  14 60 o 16.57000       2.536000      245.9703      0.0    
1 1 1 0  14 61 o 2.665000       2.306000      ?             ?      
1 1 1 0  14 62 o 0.5944000      2.010000      ?             ?      
1 1 1 0  14 63 o -0.1781000     1.964000      ?             ?      
1 1 1 0  14 64 o 0.4519000E-01  1.939000      ?             ?      
1 1 1 0  14 65 o 1.656000       1.931000      ?             ?      
1 1 1 0  14 66 o -0.6430000E-01 1.980000      ?             ?      
1 1 1 0  14 67 o 7.071000       2.029000      ?             ?      
1 1 1 0  14 68 o 1.376000       1.966000      ?             ?      
1 1 1 0  14 69 o 9.042000       2.088000      ?             ?      
1 1 1 0  14 70 o 0.7196000      2.001000      ?             ?      
1 1 1 0  14 71 o 5.865000       2.066000      ?             ?      
1 1 1 0  14 72 o 2.930000       2.377000      ?             ?      
1 1 1 0  14 73 o 6.874000       3.027000      ?             ?      
1 1 1 0  14 74 o -5.339000      2.386000      ?             ?      
1 1 1 0  14 75 o -0.5800000     2.095000      ?             ?      
1 1 1 0  15 1  o 10.06000       0.5110000     576.8372      -90.0  
1 1 1 0  15 2  o 92.65000       2.649000      1358.041      90.0   
1 1 1 0  15 3  o 20.07000       0.7196000     1070.686      90.0   
1 1 1 0  15 4  o 231.4000       6.471000      2144.639      -90.0  
1 1 1 0  15 5  o 1.030000       0.3968000     478.9305      90.0   
1 1 1 0  15 6  o 18.17000       1.101000      554.7473      90.0   
1 1 1 0  15 7  o 21.53000       1.232000      919.0898      90.0   
1 1 1 0  15 8  o 33.51000       1.659000      1205.947      -90.0  
1 1 1 0  15 9  o 7.212000       0.8888000     402.3611      90.0   
1 1 1 0  15 10 o 0.7476000      0.4471000     92.52800      -90.0  
1 1 1 0  15 11 o 4.389000       0.6419000     12.92869      90.0   
1 1 1 0  15 12 o 30.11000       1.249000      965.6537      90.0   
1 1 1 0  15 13 o 38.55000       1.255000      1359.449      90.0   
1 1 1 0  15 14 o 25.69000       0.9598000     489.7446      -90.0  
1 1 1 0  15 15 o 12.93000       0.7072000     272.9309      90.0   
1 1 1 0  15 16 o 66.52000       2.047000      797.2453      90.0   
1 1 1 0  15 17 o 6.929000       0.8666000     677.1121      -90.0  
1 1 1 0  15 18 o 18.99000       1.147000      721.3198      90.0   
1 1 1 0  15 19 o 48.04000       1.949000      1422.762      -90.0  
1 1 1 0  15 20 o 6.150000       0.8156000     249.6519      90.0   
1 1 1 0  15 21 o 21.99000       1.098000      535.9235      -90.0  
1 1 1 0  15 22 o 275.7000       7.818000      2364.021      90.0   
1 1 1 0  15 23 o 422.5000       11.89000      2582.862      -90.0  
1 1 1 0  15 24 o 24.14000       1.302000      837.5690      -90.0  
1 1 1 0  15 25 o 353.5000       11.58000      2559.337      -90.0  
1 1 1 0  15 26 o 218.5000       7.339000      2110.844      90.0   
1 1 1 0  15 27 o 35.12000       2.397000      883.6402      -90.0  
1 1 1 0  15 28 o 29.49000       1.841000      1470.819      -90.0  
1 1 1 0  15 29 o 8.074000       1.551000      716.9828      -90.0  
1 1 1 0  15 30 o 33.86000       1.808000      641.0026      -90.0  
1 1 1 0  15 31 o 77.45000       2.766000      1176.671      90.0   
1 1 1 0  15 32 o 40.96000       1.974000      836.8805      -90.0  
1 1 1 0  15 33 o 5.649000       1.438000      265.0983      90.0   
1 1 1 0  15 34 o 14.73000       1.525000      755.1312      90.0   
1 1 1 0  15 35 o 11.63000       1.504000      315.1425      90.0   
1 1 1 0  15 36 o 197.3000       5.883000      1810.923      90.0   
1 1 1 0  15 37 o 14.80000       1.521000      542.0388      90.0   
1 1 1 0  15 38 o 21.89000       1.615000      594.1514      -90.0  
1 1 1 0  15 39 o 19.99000       1.580000      844.8585      -90.0  
1 1 1 0  15 40 o 16.31000       1.539000      647.7931      90.0   
1 1 1 0  15 41 o 12.45000       1.689000      544.4227      90.0   
1 1 1 0  15 42 o 12.93000       1.853000      689.7022      90.0   
1 1 1 0  15 43 o -2.325000      2.280000      284.6840      -90.0  
1 1 1 0  15 44 o 3.567000       2.025000      249.2952      -90.0  
1 1 1 0  15 45 o 6.731000       1.968000      445.1242      -90.0  
1 1 1 0  15 46 o 22.96000       2.000000      688.5366      -90.0  
1 1 1 0  15 47 o 30.51000       1.903000      832.8229      -90.0  
1 1 1 0  15 48 o 23.59000       1.804000      657.8516      90.0   
1 1 1 0  15 49 o 14.21000       1.670000      580.4103      90.0   
1 1 1 0  15 50 o 0.1345000      1.586000      18.16976      -90.0  
1 1 1 0  15 51 o 8.465000       1.679000      430.8592      -90.0  
1 1 1 0  15 52 o 5.105000       1.708000      219.4710      90.0   
1 1 1 0  15 53 o 8.790000       1.826000      436.7889      -90.0  
1 1 1 0  15 54 o 4.113000       1.819000      331.8129      -90.0  
1 1 1 0  15 55 o 6.244000       1.902000      438.0880      90.0   
1 1 1 0  15 56 o 2.976000       1.950000      381.8306      -90.0  
1 1 1 0  15 57 o 15.14000       2.113000      136.3870      -90.0  
1 1 1 0  15 58 o 8.847000       2.517000      444.9672      90.0   
1 1 1 0  15 59 o -7.556000      4.326000      63.07195      90.0   
1 1 1 0  15 60 o 4.002000       2.859000      ?             ?      
1 1 1 0  15 61 o 11.07000       2.159000      ?             ?      
1 1 1 0  15 62 o 4.818000       2.002000      ?             ?      
1 1 1 0  15 63 o 2.819000       1.939000      ?             ?      
1 1 1 0  15 64 o 2.169000       1.923000      ?             ?      
1 1 1 0  15 65 o 0.7034000      1.942000      ?             ?      
1 1 1 0  15 66 o 28.93000       2.365000      ?             ?      
1 1 1 0  15 67 f 5.713000       1.996000      ?             ?      
1 1 1 0  15 68 o 9.935000       2.077000      ?             ?      
1 1 1 0  15 69 o -0.9198000     1.950000      ?             ?      
1 1 1 0  15 70 o 7.697000       2.055000      ?             ?      
1 1 1 0  15 71 o -0.3364000     2.003000      ?             ?      
1 1 1 0  15 72 o 3.082000       2.897000      ?             ?      
1 1 1 0  15 74 o 0.5642000      4.333000      ?             ?      
1 1 1 0  15 75 o -2.199000      2.073000      ?             ?      
1 1 1 0  16 0  o 58.57000       2.452000      1037.565      -180.0 
1 1 1 0  16 1  o 103.9000       2.959000      1530.911      180.0  
1 1 1 0  16 2  o 0.4817000      0.4103000     301.1875      0.0    
1 1 1 0  16 3  o 0.9770000      0.3945000     542.3262      -0.0   
1 1 1 0  16 4  o 20.09000       0.8719000     895.4097      180.0  
1 1 1 0  16 5  o -1.242000      0.7367000     200.1271      0.0    
1 1 1 0  16 6  o 4.227000       0.4165000     624.1906      0.0    
1 1 1 0  16 7  o 32.63000       1.619000      1084.827      -0.0   
1 1 1 0  16 8  o 100.2000       4.139000      1134.280      180.0  
1 1 1 0  16 9  o 38.52000       2.585000      469.1121      0.0    
1 1 1 0  16 10 o 106.7000       5.957000      1538.413      0.0    
1 1 1 0  16 11 o 59.79000       2.531000      1607.817      -0.0   
1 1 1 0  16 12 o 3.075000       0.5598000     486.6443      180.0  
1 1 1 0  16 13 o 38.47000       1.259000      512.5741      -180.0 
1 1 1 0  16 14 o 22.19000       1.066000      1141.096      0.0    
1 1 1 0  16 15 o 7.041000       0.6022000     42.39081      0.0    
1 1 1 0  16 16 o 222.0000       6.269000      1724.993      0.0    
1 1 1 0  16 17 o 3.147000       0.6544000     384.9200      180.0  
1 1 1 0  16 18 o 7.551000       0.7493000     858.3363      0.0    
1 1 1 0  16 19 o 312.5000       8.786000      2583.307      180.0  
1 1 1 0  16 20 o 142.9000       4.162000      1543.504      0.0    
1 1 1 0  16 21 o 2.799000       0.8433000     320.7607      -180.0 
1 1 1 0  16 22 o 254.7000       7.241000      2395.738      0.0    
1 1 1 0  16 23 o 116.6000       3.540000      1503.497      180.0  
1 1 1 0  16 24 o 182.7000       5.325000      2028.713      0.0    
1 1 1 0  16 25 o 96.14000       3.587000      1084.643      0.0    
1 1 1 0  16 26 o 168.2000       7.184000      1804.514      0.0    
1 1 1 0  16 27 o 75.60000       3.678000      1114.185      180.0  
1 1 1 0  16 28 o 8.438000       1.660000      1071.675      0.0    
1 1 1 0  16 29 o 51.24000       2.399000      1284.661      180.0  
1 1 1 0  16 30 o 29.96000       1.728000      860.7300      180.0  
1 1 1 0  16 31 o 60.92000       2.363000      1344.799      -0.0   
1 1 1 0  16 32 o 83.65000       2.911000      1274.493      0.0    
1 1 1 0  16 33 o 2.208000       1.406000      208.6052      180.0  
1 1 1 0  16 34 o 64.84000       2.488000      1075.320      0.0    
1 1 1 0  16 35 o 32.20000       1.783000      793.9002      180.0  
1 1 1 0  16 36 o 2.250000       1.395000      390.8066      180.0  
1 1 1 0  16 37 o 18.30000       1.553000      464.6787      -180.0 
1 1 1 0  16 38 o 0.8912000      1.379000      288.8615      0.0    
1 1 1 0  16 39 o 17.77000       1.531000      513.6971      0.0    
1 1 1 0  16 40 o 22.02000       1.616000      428.8906      0.0    
1 1 1 0  16 41 o 37.85000       1.921000      911.9299      180.0  
1 1 1 0  16 42 o 14.66000       1.586000      634.8620      0.0    
1 1 1 0  16 43 o 136.9000       6.448000      1561.508      180.0  
1 1 1 0  16 44 o 12.77000       2.215000      515.5305      180.0  
1 1 1 0  16 45 o 20.01000       1.952000      579.6957      180.0  
1 1 1 0  16 46 f 2.208000       1.502000      58.46445      0.0    
1 1 1 0  16 47 o 18.88000       1.698000      816.2970      180.0  
1 1 1 0  16 48 o 6.949000       1.560000      375.7437      180.0  
1 1 1 0  16 49 o 30.59000       1.967000      843.1878      -0.0   
1 1 1 0  16 50 o 11.84000       1.700000      597.8508      0.0    
1 1 1 0  16 51 o 4.008000       1.837000      98.12473      180.0  
1 1 1 0  16 52 o 25.83000       2.005000      791.1067      0.0    
1 1 1 0  16 53 o 5.322000       1.783000      349.9173      180.0  
1 1 1 0  16 54 o 1.027000       1.809000      142.9574      0.0    
1 1 1 0  16 55 o 2.371000       1.891000      10.70805      -0.0   
1 1 1 0  16 56 o 42.43000       2.503000      1085.610      180.0  
1 1 1 0  16 57 o 3.410000       2.035000      213.6547      0.0    
1 1 1 0  16 58 o 0.7308000      2.070000      124.9219      180.0  
1 1 1 0  16 59 o 10.18000       4.735000      332.2420      180.0  
1 1 1 0  16 60 o 14.63000       2.967000      ?             ?      
1 1 1 0  16 61 o 6.866000       2.033000      ?             ?      
1 1 1 0  16 62 o 0.2958000      1.963000      ?             ?      
1 1 1 0  16 63 o 4.661000       1.947000      ?             ?      
1 1 1 0  16 64 o 3.223000       1.895000      ?             ?      
1 1 1 0  16 65 o -2.036000      1.941000      ?             ?      
1 1 1 0  16 66 o 1.326000       1.950000      ?             ?      
1 1 1 0  16 67 o 2.660000       1.948000      ?             ?      
1 1 1 0  16 68 f 0.1409000      1.941000      ?             ?      
1 1 1 0  16 69 o -0.6875000     1.959000      ?             ?      
1 1 1 0  16 70 o 2.797000       2.020000      ?             ?      
1 1 1 0  16 71 o 4.492000       2.023000      ?             ?      
1 1 1 0  16 72 o 4.810000       2.353000      ?             ?      
1 1 1 0  16 73 o 2.421000       2.871000      ?             ?      
1 1 1 0  16 74 o -0.5625000     2.425000      ?             ?      
1 1 1 0  16 75 o -1.540000      2.078000      ?             ?      
1 1 1 0  17 1  o 1.462000       0.4630000     412.1213      90.0   
1 1 1 0  17 2  o 21.23000       1.107000      658.4955      90.0   
1 1 1 0  17 3  o 0.3944000      0.4300000     131.9130      90.0   
1 1 1 0  17 4  o 22.28000       0.7984000     694.1144      -90.0  
1 1 1 0  17 5  o 1.014000       0.4753000     257.1341      90.0   
1 1 1 0  17 6  o 65.67000       2.249000      822.4361      90.0   
1 1 1 0  17 7  o 30.03000       1.571000      852.8578      90.0   
1 1 1 0  17 8  o 26.86000       1.488000      401.8310      -90.0  
1 1 1 0  17 9  o 28.88000       2.174000      912.3298      90.0   
1 1 1 0  17 11 o 4.120000       0.4710000     406.9334      90.0   
1 1 1 0  17 12 o 18.57000       1.030000      1011.252      90.0   
1 1 1 0  17 13 o 1.773000       0.4070000     678.1781      -90.0  
1 1 1 0  17 14 o 9.516000       0.5919000     394.6368      -90.0  
1 1 1 0  17 15 o 9.042000       0.6288000     458.2844      -90.0  
1 1 1 0  17 16 o 9.262000       0.6780000     528.9950      90.0   
1 1 1 0  17 17 o 134.5000       3.889000      1571.882      90.0   
1 1 1 0  17 18 o 147.4000       4.254000      1810.823      -90.0  
1 1 1 0  17 19 o 1425.000       39.51000      5622.893      -90.0  
1 1 1 0  17 20 o 12.01000       0.9311000     393.8606      90.0   
1 1 1 0  17 21 o 11.03000       0.9546000     415.5537      90.0   
1 1 1 0  17 22 o 145.4000       4.274000      1382.801      -90.0  
1 1 1 0  17 23 o 6.024000       1.027000      13.44500      -90.0  
1 1 1 0  17 24 o 24.81000       1.631000      419.1783      -90.0  
1 1 1 0  17 25 o 35.77000       1.971000      1277.921      -90.0  
1 1 1 0  17 26 o 29.20000       2.390000      1277.674      90.0   
1 1 1 0  17 27 o 10.22000       2.009000      127.5500      90.0   
1 1 1 0  17 28 o 96.58000       4.540000      1831.131      90.0   
1 1 1 0  17 29 o 22.83000       1.598000      977.6750      90.0   
1 1 1 0  17 30 o 7.327000       1.437000      382.9252      90.0   
1 1 1 0  17 31 o 29.53000       1.717000      440.5341      90.0   
1 1 1 0  17 32 o 20.90000       1.576000      779.8627      -90.0  
1 1 1 0  17 33 o 158.7000       4.822000      1663.073      90.0   
1 1 1 0  17 34 o 35.54000       1.870000      608.6155      90.0   
1 1 1 0  17 35 o 15.51000       1.507000      619.0785      -90.0  
1 1 1 0  17 36 o 15.24000       1.485000      166.0741      -90.0  
1 1 1 0  17 37 o 60.84000       2.366000      871.7567      90.0   
1 1 1 0  17 38 o 24.00000       1.614000      879.6108      90.0   
1 1 1 0  17 39 o 8.873000       1.425000      585.2960      90.0   
1 1 1 0  17 40 o 65.09000       2.501000      1015.635      -90.0  
1 1 1 0  17 41 o 15.49000       1.518000      545.1715      -90.0  
1 1 1 0  17 42 o 11.23000       1.525000      622.8977      90.0   
1 1 1 0  17 43 o 14.66000       2.280000      489.4829      -90.0  
1 1 1 0  17 45 o 5.083000       1.762000      520.6706      90.0   
1 1 1 0  17 46 o 8.606000       1.557000      393.7723      90.0   
1 1 1 0  17 47 o 1.473000       1.495000      240.1192      90.0   
1 1 1 0  17 48 o 33.38000       1.987000      937.0691      90.0   
1 1 1 0  17 49 o 14.18000       1.719000      519.4538      -90.0  
1 1 1 0  17 50 o 57.59000       2.576000      828.9776      90.0   
1 1 1 0  17 51 o 9.656000       1.746000      359.7134      90.0   
1 1 1 0  17 52 o 21.39000       1.971000      609.4465      -90.0  
1 1 1 0  17 53 o 0.9077000      1.794000      219.7226      -90.0  
1 1 1 0  17 54 o 9.795000       1.901000      580.1323      90.0   
1 1 1 0  17 55 o 3.021000       1.916000      43.15396      -90.0  
1 1 1 0  17 56 o 21.74000       2.194000      734.7466      -90.0  
1 1 1 0  17 57 f 85.14000       3.519000      ?             ?      
1 1 1 0  17 58 o 30.34000       2.653000      877.7781      90.0   
1 1 1 0  17 59 o 0.6764000      4.022000      71.76292      -90.0  
1 1 1 0  17 60 o 9.729000       4.357000      ?             ?      
1 1 1 0  17 61 o 6.188000       2.026000      ?             ?      
1 1 1 0  17 62 o 1.575000       1.941000      ?             ?      
1 1 1 0  17 63 o 7.752000       1.973000      ?             ?      
1 1 1 0  17 64 o 18.45000       2.121000      ?             ?      
1 1 1 0  17 65 o 0.4181000      1.931000      ?             ?      
1 1 1 0  17 66 o -1.947000      1.923000      ?             ?      
1 1 1 0  17 67 o -1.479000      1.930000      ?             ?      
1 1 1 0  17 68 o 13.72000       2.107000      ?             ?      
1 1 1 0  17 69 o 4.201000       1.996000      ?             ?      
1 1 1 0  17 70 o 8.126000       2.042000      ?             ?      
1 1 1 0  17 71 o 4.644000       2.281000      ?             ?      
1 1 1 0  17 72 o 0.3192000      2.305000      ?             ?      
1 1 1 0  17 73 o 2.774000       2.939000      ?             ?      
1 1 1 0  17 74 o 13.90000       3.339000      ?             ?      
1 1 1 0  18 0  o 16.11000       1.391000      350.7970      180.0  
1 1 1 0  18 1  o 17.47000       0.8440000     550.4122      0.0    
1 1 1 0  18 2  o 137.6000       4.519000      1697.346      0.0    
1 1 1 0  18 3  o 0.5622000      0.5658000     245.1301      -0.0   
1 1 1 0  18 4  o 0.6657000      0.4235000     79.54315      180.0  
1 1 1 0  18 5  o 7.217000       0.4938000     321.1218      0.0    
1 1 1 0  18 6  o 28.42000       1.145000      1087.137      180.0  
1 1 1 0  18 7  o 99.91000       3.337000      1480.223      -180.0 
1 1 1 0  18 8  o 18.35000       1.737000      561.7441      0.0    
1 1 1 0  18 10 o 19.89000       1.981000      1231.787      0.0    
1 1 1 0  18 11 o 203.2000       8.177000      2359.337      180.0  
1 1 1 0  18 12 o 16.45000       0.8378000     950.7383      180.0  
1 1 1 0  18 13 o 9.196000       0.7003000     817.2220      0.0    
1 1 1 0  18 14 o 166.5000       4.730000      2257.071      0.0    
1 1 1 0  18 15 o 22.18000       0.9079000     1062.798      180.0  
1 1 1 0  18 16 o 77.20000       2.335000      1098.989      180.0  
1 1 1 0  18 17 o 51.68000       1.685000      1510.046      -0.0   
1 1 1 0  18 18 o 224.5000       6.359000      2500.162      0.0    
1 1 1 0  18 19 o 122.5000       3.607000      1660.381      180.0  
1 1 1 0  18 20 o 398.9000       11.18000      3169.400      0.0    
1 1 1 0  18 21 o 5.913000       0.9101000     88.90542      180.0  
1 1 1 0  18 22 f 355.8000       10.04000      2705.341      0.0    
1 1 1 0  18 23 o 28.86000       1.370000      732.5219      0.0    
1 1 1 0  18 24 o 28.62000       1.429000      1081.511      0.0    
1 1 1 0  18 25 o 21.28000       1.688000      613.6900      180.0  
1 1 1 0  18 26 o 84.97000       4.006000      1775.180      180.0  
1 1 1 0  18 28 o -0.4021000     1.960000      256.1022      180.0  
1 1 1 0  18 29 o 19.69000       1.576000      498.1630      -0.0   
1 1 1 0  18 30 o 9.623000       1.470000      354.0567      0.0    
1 1 1 0  18 31 o 33.72000       1.793000      1153.575      180.0  
1 1 1 0  18 32 o 92.94000       3.147000      1177.661      0.0    
1 1 1 0  18 33 o 49.54000       2.138000      1332.654      180.0  
1 1 1 0  18 34 o 7.086000       1.419000      76.78819      180.0  
1 1 1 0  18 35 o 36.84000       1.844000      967.6695      180.0  
1 1 1 0  18 36 o 78.62000       2.779000      1325.152      180.0  
1 1 1 0  18 37 o 46.59000       2.039000      1347.171      -180.0 
1 1 1 0  18 38 o 1.259000       1.348000      127.8034      0.0    
1 1 1 0  18 39 o 17.50000       1.516000      463.3101      0.0    
1 1 1 0  18 40 o 4.311000       1.381000      463.6750      0.0    
1 1 1 0  18 41 o 48.58000       2.152000      943.2041      -0.0   
1 1 1 0  18 42 o 20.75000       1.656000      748.4763      0.0    
1 1 1 0  18 43 o 83.60000       3.509000      1243.579      180.0  
1 1 1 0  18 44 o 26.73000       4.074000      604.3553      180.0  
1 1 1 0  18 45 o 75.74000       3.381000      1240.316      180.0  
1 1 1 0  18 46 f 14.38000       1.639000      386.3417      0.0    
1 1 1 0  18 47 o -2.962000      1.504000      220.0011      180.0  
1 1 1 0  18 48 o 61.54000       2.598000      939.4827      0.0    
1 1 1 0  18 49 o 2.703000       1.651000      264.8735      0.0    
1 1 1 0  18 50 o 116.9000       4.017000      ?             ?      
1 1 1 0  18 51 o 37.15000       2.269000      725.4733      180.0  
1 1 1 0  18 52 o 12.32000       1.904000      547.7734      0.0    
1 1 1 0  18 53 o 2.543000       1.834000      195.3726      180.0  
1 1 1 0  18 54 o 3.653000       1.907000      159.0453      0.0    
1 1 1 0  18 55 o 7.127000       2.003000      421.6784      -180.0 
1 1 1 0  18 56 o 65.90000       3.039000      1390.708      180.0  
1 1 1 0  18 57 o 6.025000       2.052000      256.8320      -0.0   
1 1 1 0  18 58 o 172.6000       6.562000      ?             ?      
1 1 1 0  18 59 o 11.79000       3.018000      ?             ?      
1 1 1 0  18 60 o 5.766000       3.050000      ?             ?      
1 1 1 0  18 61 o 31.13000       2.689000      ?             ?      
1 1 1 0  18 62 o 9.789000       1.985000      ?             ?      
1 1 1 0  18 63 o 0.5063000E-01  1.872000      ?             ?      
1 1 1 0  18 64 o 6.061000       1.947000      ?             ?      
1 1 1 0  18 65 o 0.8771000      1.929000      ?             ?      
1 1 1 0  18 66 o 14.28000       2.112000      ?             ?      
1 1 1 0  18 67 o 12.68000       2.057000      ?             ?      
1 1 1 0  18 68 o 18.51000       2.201000      ?             ?      
1 1 1 0  18 69 o 4.672000       2.000000      ?             ?      
1 1 1 0  18 70 o 2.791000       1.971000      ?             ?      
1 1 1 0  18 71 o 1.776000       2.242000      ?             ?      
1 1 1 0  18 72 o -1.879000      2.302000      ?             ?      
1 1 1 0  18 73 o 1.087000       2.072000      ?             ?      
1 1 1 0  18 74 o -2.436000      2.480000      ?             ?      
1 1 1 0  19 1  o 163.6000       5.335000      1363.315      90.0   
1 1 1 0  19 2  o 1.142000       0.5091000     289.1360      -90.0  
1 1 1 0  19 3  o 4.447000       0.5636000     146.3538      -90.0  
1 1 1 0  19 4  o 50.18000       1.752000      990.0060      -90.0  
1 1 1 0  19 5  o 14.33000       0.6487000     54.50621      -90.0  
1 1 1 0  19 6  f 242.8000       7.872000      2755.886      90.0   
1 1 1 0  19 7  o 84.67000       2.469000      1402.139      -90.0  
1 1 1 0  19 8  o 25.22000       2.091000      1096.237      -90.0  
1 1 1 0  19 10 o 6.226000       1.215000      289.8109      90.0   
1 1 1 0  19 11 f 41.33000       2.095000      1235.636      90.0   
1 1 1 0  19 12 o 0.9970000      0.4199000     157.8103      -90.0  
1 1 1 0  19 13 o 1.653000       0.5447000     68.73637      -90.0  
1 1 1 0  19 14 o 12.14000       0.8187000     910.8348      -90.0  
1 1 1 0  19 15 o 0.9224000      0.5268000     387.1932      90.0   
1 1 1 0  19 16 o 25.26000       1.013000      640.2319      -90.0  
1 1 1 0  19 17 o 18.97000       0.9181000     1162.014      -90.0  
1 1 1 0  19 18 o 31.23000       1.228000      784.9675      -90.0  
1 1 1 0  19 19 o 110.4000       3.299000      1366.769      -90.0  
1 1 1 0  19 20 o 89.62000       2.765000      868.4688      90.0   
1 1 1 0  19 21 o 19.37000       1.120000      800.4042      90.0   
1 1 1 0  19 22 o 16.28000       1.138000      165.3822      90.0   
1 1 1 0  19 23 o 17.56000       1.211000      1088.991      90.0   
1 1 1 0  19 24 o 59.48000       2.124000      885.4805      -90.0  
1 1 1 0  19 25 o 77.34000       2.990000      918.9405      90.0   
1 1 1 0  19 26 o 295.4000       9.795000      2194.444      90.0   
1 1 1 0  19 27 o 66.84000       3.485000      1064.870      90.0   
1 1 1 0  19 28 o 66.62000       2.976000      1888.591      90.0   
1 1 1 0  19 29 o 38.52000       1.903000      373.6501      90.0   
1 1 1 0  19 30 o 242.0000       7.036000      2129.938      90.0   
1 1 1 0  19 31 o 1.277000       1.367000      381.6846      -90.0  
1 1 1 0  19 32 o 135.6000       4.224000      1915.734      -90.0  
1 1 1 0  19 33 o 4.055000       1.409000      217.3794      90.0   
1 1 1 0  19 34 o 13.45000       1.495000      149.2317      -90.0  
1 1 1 0  19 35 o 19.06000       1.533000      1014.909      -90.0  
1 1 1 0  19 36 o 30.29000       1.734000      701.1539      -90.0  
1 1 1 0  19 37 o 18.21000       1.514000      655.1134      -90.0  
1 1 1 0  19 38 o 5.657000       1.374000      250.6075      -90.0  
1 1 1 0  19 39 o -2.155000      1.345000      32.90976      -90.0  
1 1 1 0  19 40 o 190.7000       5.736000      1754.393      90.0   
1 1 1 0  19 41 o 66.75000       2.565000      1129.432      90.0   
1 1 1 0  19 42 o 8.018000       1.627000      482.9033      -90.0  
1 1 1 0  19 43 o 81.99000       4.015000      1183.282      -90.0  
1 1 1 0  19 44 o 49.56000       3.197000      1102.906      -90.0  
1 1 1 0  19 45 o 74.37000       4.246000      1462.633      90.0   
1 1 1 0  19 46 o 5.335000       1.590000      240.3471      -90.0  
1 1 1 0  19 47 o 6.116000       1.610000      253.9326      90.0   
1 1 1 0  19 48 o 5.491000       1.671000      212.0718      90.0   
1 1 1 0  19 49 o 6.073000       1.718000      405.4008      -90.0  
1 1 1 0  19 50 o 53.14000       2.532000      989.2817      90.0   
1 1 1 0  19 51 o 68.67000       2.947000      1138.995      90.0   
1 1 1 0  19 52 o 12.19000       1.934000      607.6732      -90.0  
1 1 1 0  19 53 o 20.08000       2.067000      668.8004      90.0   
1 1 1 0  19 54 o 13.84000       2.036000      554.0934      -90.0  
1 1 1 0  19 55 o 66.21000       3.027000      1228.026      -90.0  
1 1 1 0  19 56 o 11.72000       2.086000      442.1371      90.0   
1 1 1 0  19 57 o 20.74000       2.427000      806.3785      -90.0  
1 1 1 0  19 58 o 9.329000       2.621000      483.3367      90.0   
1 1 1 0  19 59 o 2.938000       2.121000      ?             ?      
1 1 1 0  19 60 o -0.7922000E-02 2.328000      ?             ?      
1 1 1 0  19 61 o 7.608000       2.336000      ?             ?      
1 1 1 0  19 62 o 1.421000       1.900000      ?             ?      
1 1 1 0  19 63 o 0.9071000      1.879000      ?             ?      
1 1 1 0  19 64 o 5.546000       1.945000      ?             ?      
1 1 1 0  19 65 o 27.47000       2.296000      ?             ?      
1 1 1 0  19 66 o 2.823000       1.924000      ?             ?      
1 1 1 0  19 67 o 10.30000       2.025000      ?             ?      
1 1 1 0  19 68 o 6.636000       1.990000      ?             ?      
1 1 1 0  19 69 o -1.546000      1.925000      ?             ?      
1 1 1 0  19 70 o -1.544000      1.951000      ?             ?      
1 1 1 0  19 71 o -0.2803000     2.259000      ?             ?      
1 1 1 0  19 72 o 3.910000       2.278000      ?             ?      
1 1 1 0  19 73 o 17.07000       2.634000      ?             ?      
1 1 1 0  19 74 o 1.643000       3.065000      ?             ?      
1 1 1 0  20 0  o 57.33000       2.474000      818.1182      0.0    
1 1 1 0  20 1  o 84.34000       2.472000      1378.352      -0.0   
1 1 1 0  20 2  o 140.2000       3.999000      1476.193      180.0  
1 1 1 0  20 3  o 6.276000       0.6220000     637.2821      -0.0   
1 1 1 0  20 4  o 31.18000       1.088000      803.9969      0.0    
1 1 1 0  20 5  o 32.37000       1.106000      1283.846      180.0  
1 1 1 0  20 6  o 7.117000       0.5006000     830.5797      0.0    
1 1 1 0  20 7  o 300.3000       9.684000      1913.121      -0.0   
1 1 1 0  20 9  o 843.8000       46.91000      3651.283      180.0  
1 1 1 0  20 10 o 172.0000       7.003000      2249.571      180.0  
1 1 1 0  20 11 o 315.7000       12.57000      2801.320      -180.0 
1 1 1 0  20 12 o 72.92000       3.261000      1150.669      0.0    
1 1 1 0  20 13 o 6.740000       0.6050000     209.7452      180.0  
1 1 1 0  20 14 o 424.1000       13.69000      3142.178      180.0  
1 1 1 0  20 15 o 13.00000       0.6669000     444.1006      -180.0 
1 1 1 0  20 16 o 198.7000       5.642000      1961.887      180.0  
1 1 1 0  20 17 o 96.77000       2.880000      1631.456      -0.0   
1 1 1 0  20 18 o 285.1000       8.032000      1782.093      0.0    
1 1 1 0  20 19 o 90.46000       2.769000      963.1390      180.0  
1 1 1 0  20 20 o 344.2000       9.682000      2503.487      0.0    
1 1 1 0  20 21 o 169.4000       4.940000      2082.120      -0.0   
1 1 1 0  20 22 o 148.1000       4.381000      1487.136      180.0  
1 1 1 0  20 23 o 36.90000       1.628000      757.9202      180.0  
1 1 1 0  20 24 o 292.7000       8.343000      2497.623      180.0  
1 1 1 0  20 25 o 64.41000       2.634000      541.5245      -180.0 
1 1 1 0  20 26 o 45.65000       2.547000      810.9452      180.0  
1 1 1 0  20 27 o 8.367000       1.989000      700.8146      -180.0 
1 1 1 0  20 28 o 66.08000       3.782000      877.7221      180.0  
1 1 1 0  20 29 o 27.89000       2.068000      587.8538      -180.0 
1 1 1 0  20 30 o 44.90000       1.979000      1157.185      180.0  
1 1 1 0  20 31 o 15.68000       1.477000      247.5893      -180.0 
1 1 1 0  20 32 o 29.44000       1.693000      1166.133      0.0    
1 1 1 0  20 33 o 294.6000       8.478000      2654.965      180.0  
1 1 1 0  20 34 o 4.152000       1.378000      144.1098      0.0    
1 1 1 0  20 35 o 127.3000       4.012000      1742.465      -0.0   
1 1 1 0  20 36 o 50.70000       2.122000      1086.863      180.0  
1 1 1 0  20 37 o 6.050000       1.375000      438.1928      -0.0   
1 1 1 0  20 38 o 12.59000       1.425000      311.8965      0.0    
1 1 1 0  20 39 o 197.4000       5.904000      2239.868      180.0  
1 1 1 0  20 40 o 0.4266000      1.390000      139.9613      180.0  
1 1 1 0  20 41 o 19.93000       1.768000      727.4722      -0.0   
1 1 1 0  20 42 o 2.946000       1.582000      272.7576      180.0  
1 1 1 0  20 43 o 116.4000       4.423000      1372.405      180.0  
1 1 1 0  20 44 o 6.622000       1.566000      445.4194      180.0  
1 1 1 0  20 45 o 1.311000       2.450000      109.2642      180.0  
1 1 1 0  20 46 o 15.46000       2.038000      552.8983      0.0    
1 1 1 0  20 47 o 8.803000       1.649000      424.4139      0.0    
1 1 1 0  20 48 o 47.74000       2.356000      874.3683      0.0    
1 1 1 0  20 49 o 6.988000       1.716000      196.6516      180.0  
1 1 1 0  20 50 o 0.3356000      1.772000      39.09285      180.0  
1 1 1 0  20 51 o 147.8000       4.901000      ?             ?      
1 1 1 0  20 52 o 84.41000       3.389000      1200.937      0.0    
1 1 1 0  20 53 o 106.5000       3.881000      ?             ?      
1 1 1 0  20 54 o 2.004000       1.949000      283.1929      0.0    
1 1 1 0  20 55 o 5.761000       2.014000      89.78330      -0.0   
1 1 1 0  20 56 o 40.99000       2.559000      907.2214      180.0  
1 1 1 0  20 57 o 90.32000       4.112000      ?             ?      
1 1 1 0  20 58 o 21.19000       2.415000      ?             ?      
1 1 1 0  20 59 o 29.78000       2.312000      ?             ?      
1 1 1 0  20 60 o 9.206000       2.417000      ?             ?      
1 1 1 0  20 61 o 16.71000       3.131000      ?             ?      
1 1 1 0  20 62 o 2.758000       2.207000      ?             ?      
1 1 1 0  20 63 o 3.667000       1.898000      ?             ?      
1 1 1 0  20 64 o -0.8519000     1.869000      ?             ?      
1 1 1 0  20 65 o -0.1991000E-01 1.891000      ?             ?      
1 1 1 0  20 66 o -0.6498000     1.867000      ?             ?      
1 1 1 0  20 67 o 16.44000       2.110000      ?             ?      
1 1 1 0  20 68 o 14.46000       2.066000      ?             ?      
1 1 1 0  20 69 o 1.709000       1.940000      ?             ?      
1 1 1 0  20 70 o 3.332000       2.201000      ?             ?      
1 1 1 0  20 71 o 0.4573000      3.602000      ?             ?      
1 1 1 0  20 72 o 1.288000       2.920000      ?             ?      
1 1 1 0  20 73 o 5.953000       2.439000      ?             ?      
1 1 1 0  21 1  o 7.132000       0.6213000     868.0930      -90.0  
1 1 1 0  21 2  o 0.3815000      0.5659000     722.2595      90.0   
1 1 1 0  21 3  o 69.02000       2.068000      1441.288      -90.0  
1 1 1 0  21 4  o 400.0000       11.15000      2861.916      90.0   
1 1 1 0  21 5  o 5.985000       0.5746000     33.78064      -90.0  
1 1 1 0  21 6  o 84.74000       2.843000      781.5246      90.0   
1 1 1 0  21 7  o 13.24000       0.8828000     566.6694      90.0   
1 1 1 0  21 10 o 6.314000       1.742000      292.4938      -90.0  
1 1 1 0  21 11 o 261.0000       10.47000      2300.652      -90.0  
1 1 1 0  21 12 o 429.4000       17.03000      3030.082      -90.0  
1 1 1 0  21 13 o 51.99000       2.588000      1153.776      -90.0  
1 1 1 0  21 14 o 4.228000       0.6214000     149.6997      90.0   
1 1 1 0  21 15 o 14.64000       0.9692000     980.2335      -90.0  
1 1 1 0  21 16 o 7.193000       0.6465000     174.7627      90.0   
1 1 1 0  21 17 o 0.7985000      0.6662000     379.1742      -90.0  
1 1 1 0  21 18 o 130.4000       3.814000      1713.003      90.0   
1 1 1 0  21 19 o 353.2000       9.926000      2348.885      90.0   
1 1 1 0  21 20 o 253.4000       7.207000      2585.441      90.0   
1 1 1 0  21 21 o 2.173000       0.9824000     120.1110      -90.0  
1 1 1 0  21 22 o 12.01000       1.145000      479.7127      -90.0  
1 1 1 0  21 23 o 13.47000       1.253000      512.8217      90.0   
1 1 1 0  21 24 o 30.70000       1.621000      1237.881      90.0   
1 1 1 0  21 25 o -0.5340000     1.591000      284.3390      90.0   
1 1 1 0  21 26 o 4.061000       1.528000      334.5186      90.0   
1 1 1 0  21 27 o 84.62000       2.917000      1356.022      90.0   
1 1 1 0  21 28 o 4.284000       1.766000      269.5263      90.0   
1 1 1 0  21 29 o 216.2000       9.157000      1917.129      -90.0  
1 1 1 0  21 30 o 52.32000       2.159000      1181.751      90.0   
1 1 1 0  21 31 o 205.6000       6.068000      1896.646      -90.0  
1 1 1 0  21 32 o 23.07000       1.566000      486.1027      -90.0  
1 1 1 0  21 33 o 249.5000       7.256000      2345.195      90.0   
1 1 1 0  21 34 o 80.80000       2.833000      1308.764      90.0   
1 1 1 0  21 35 f 6.697000       1.345000      218.1256      90.0   
1 1 1 0  21 36 o 5.808000       1.347000      246.1374      -90.0  
1 1 1 0  21 37 o 1.565000       1.336000      331.3080      -90.0  
1 1 1 0  21 38 o 14.29000       1.463000      443.1605      90.0   
1 1 1 0  21 39 o 66.58000       2.528000      1010.093      90.0   
1 1 1 0  21 40 o 41.57000       1.977000      783.8286      90.0   
1 1 1 0  21 41 o 41.77000       2.240000      821.6736      -90.0  
1 1 1 0  21 42 o 167.1000       7.103000      ?             ?      
1 1 1 0  21 43 o 38.24000       2.277000      1024.608      -90.0  
1 1 1 0  21 44 o 94.52000       3.332000      1492.944      -90.0  
1 1 1 0  21 45 o 94.85000       3.947000      1281.038      90.0   
1 1 1 0  21 46 o 61.16000       3.897000      1069.392      -90.0  
1 1 1 0  21 47 o 18.91000       2.154000      583.5245      90.0   
1 1 1 0  21 48 o 46.54000       2.330000      929.6844      -90.0  
1 1 1 0  21 49 o 3.133000       1.708000      162.5833      -90.0  
1 1 1 0  21 50 o 98.41000       3.611000      ?             ?      
1 1 1 0  21 51 o 111.2000       3.972000      ?             ?      
1 1 1 0  21 52 o 33.73000       2.336000      831.6696      -90.0  
1 1 1 0  21 53 o 25.42000       2.199000      894.3289      90.0   
1 1 1 0  21 54 o 4.549000       1.967000      176.6680      -90.0  
1 1 1 0  21 55 o 74.12000       3.205000      ?             ?      
1 1 1 0  21 56 o 4.656000       2.269000      269.0683      90.0   
1 1 1 0  21 57 o 56.00000       3.755000      ?             ?      
1 1 1 0  21 58 o 10.61000       2.277000      ?             ?      
1 1 1 0  21 59 o -0.7367000     1.922000      ?             ?      
1 1 1 0  21 60 o 17.04000       2.095000      ?             ?      
1 1 1 0  21 61 o 4.256000       2.284000      ?             ?      
1 1 1 0  21 62 o -1.006000      2.203000      ?             ?      
1 1 1 0  21 63 o 11.61000       1.977000      ?             ?      
1 1 1 0  21 64 o 11.77000       1.981000      ?             ?      
1 1 1 0  21 65 o 7.002000       1.970000      ?             ?      
1 1 1 0  21 66 o 3.052000       1.957000      ?             ?      
1 1 1 0  21 67 o 2.463000       1.910000      ?             ?      
1 1 1 0  21 68 o 1.077000       1.888000      ?             ?      
1 1 1 0  21 69 o -0.9680000     2.264000      ?             ?      
1 1 1 0  21 70 o -0.5989000     2.756000      ?             ?      
1 1 1 0  21 71 o 3.236000       2.853000      ?             ?      
1 1 1 0  21 72 o -1.681000      2.011000      ?             ?      
1 1 1 0  21 73 o 7.218000       2.093000      ?             ?      
1 1 1 0  22 1  o 8.697000       0.6741000     677.4512      -0.0   
1 1 1 0  22 2  o 9.281000       0.6764000     75.27381      0.0    
1 1 1 0  22 3  o -0.1788000     0.5728000     9.366781      -0.0   
1 1 1 0  22 4  o 1.171000       0.5630000     300.5628      0.0    
1 1 1 0  22 5  o 48.97000       1.550000      1370.503      180.0  
1 1 1 0  22 6  o 2.975000       0.4908000     7.529761      180.0  
1 1 1 0  22 7  o 44.87000       1.843000      1191.126      180.0  
1 1 1 0  22 8  o 73.82000       3.159000      1439.088      0.0    
1 1 1 0  22 9  o 163.8000       9.498000      1736.280      180.0  
1 1 1 0  22 10 o 87.34000       3.864000      1404.747      180.0  
1 1 1 0  22 11 o 1.600000       1.353000      507.9140      -0.0   
1 1 1 0  22 12 o 6.291000       1.918000      46.97894      180.0  
1 1 1 0  22 13 o 396.6000       15.79000      3182.082      180.0  
1 1 1 0  22 14 o 161.5000       6.703000      2398.521      180.0  
1 1 1 0  22 15 o 155.8000       5.234000      1566.823      -0.0   
1 1 1 0  22 16 o 219.5000       7.231000      2195.124      180.0  
1 1 1 0  22 17 o 19.44000       1.227000      122.6672      -180.0 
1 1 1 0  22 18 o 145.2000       4.234000      1947.571      180.0  
1 1 1 0  22 19 o 152.9000       4.455000      1595.657      180.0  
1 1 1 0  22 20 o 19.27000       1.137000      325.0741      0.0    
1 1 1 0  22 21 o 38.38000       1.587000      1450.592      -0.0   
1 1 1 0  22 22 o 274.2000       7.808000      2622.242      180.0  
1 1 1 0  22 23 o 4.203000       1.171000      766.4077      -180.0 
1 1 1 0  22 24 o 58.18000       2.434000      1701.255      180.0  
1 1 1 0  22 25 o 33.08000       2.127000      720.6269      -180.0 
1 1 1 0  22 26 o 268.4000       8.899000      2168.441      180.0  
1 1 1 0  22 27 o 109.5000       3.557000      1165.854      -0.0   
1 1 1 0  22 28 o 11.91000       1.821000      656.3759      180.0  
1 1 1 0  22 29 o 836.2000       33.14000      ?             ?      
1 1 1 0  22 30 o 202.3000       6.961000      1811.913      0.0    
1 1 1 0  22 31 o 1.830000       1.318000      585.4499      180.0  
1 1 1 0  22 32 o 26.49000       1.617000      807.7084      180.0  
1 1 1 0  22 33 o 225.2000       6.597000      2233.633      180.0  
1 1 1 0  22 34 o -1.377000      1.288000      86.98144      180.0  
1 1 1 0  22 35 o 18.39000       1.484000      601.7830      -180.0 
1 1 1 0  22 36 o 130.3000       4.101000      1789.675      180.0  
1 1 1 0  22 37 o 44.51000       1.996000      1083.974      -180.0 
1 1 1 0  22 38 o 238.4000       7.004000      ?             ?      
1 1 1 0  22 39 o 58.23000       2.332000      1122.853      -180.0 
1 1 1 0  22 40 o 4.649000       1.410000      198.3726      180.0  
1 1 1 0  22 41 o 4.474000       1.600000      112.8433      -180.0 
1 1 1 0  22 42 o 23.10000       1.916000      791.3105      180.0  
1 1 1 0  22 43 o 16.32000       1.626000      502.2162      0.0    
1 1 1 0  22 44 o 23.30000       1.792000      757.9093      0.0    
1 1 1 0  22 45 o 14.48000       1.693000      425.3240      -0.0   
1 1 1 0  22 46 o 0.7469000      2.538000      57.65451      0.0    
1 1 1 0  22 47 o 124.1000       4.833000      ?             ?      
1 1 1 0  22 48 o 93.64000       3.430000      1254.958      0.0    
1 1 1 0  22 49 o 3.647000       1.731000      272.0709      180.0  
1 1 1 0  22 50 o 6.018000       1.812000      356.1688      180.0  
1 1 1 0  22 51 o 25.92000       2.127000      844.5126      -0.0   
1 1 1 0  22 52 o 4.119000       1.913000      100.6801      0.0    
1 1 1 0  22 53 o 12.75000       2.024000      551.7070      -0.0   
1 1 1 0  22 54 o 2.115000       1.962000      362.3308      0.0    
1 1 1 0  22 55 o 3.661000       2.010000      149.3001      0.0    
1 1 1 0  22 56 o 4.051000       2.259000      287.1717      180.0  
1 1 1 0  22 57 o 2.758000       2.212000      ?             ?      
1 1 1 0  22 58 o 45.51000       2.620000      ?             ?      
1 1 1 0  22 59 o 5.229000       1.928000      ?             ?      
1 1 1 0  22 60 o 7.896000       1.935000      ?             ?      
1 1 1 0  22 61 o 3.607000       2.225000      ?             ?      
1 1 1 0  22 62 o -0.2170000     2.737000      ?             ?      
1 1 1 0  22 63 o 4.195000       2.223000      ?             ?      
1 1 1 0  22 64 o 1.333000       1.897000      ?             ?      
1 1 1 0  22 65 o 12.21000       2.006000      ?             ?      
1 1 1 0  22 66 o 7.801000       1.966000      ?             ?      
1 1 1 0  22 67 f 0.4189000      1.905000      ?             ?      
1 1 1 0  22 68 o -1.163000      2.262000      ?             ?      
1 1 1 0  22 69 o 6.921000       2.840000      ?             ?      
1 1 1 0  22 70 o -2.033000      2.605000      ?             ?      
1 1 1 0  22 71 o -2.885000      2.229000      ?             ?      
1 1 1 0  22 72 o 4.777000       2.090000      ?             ?      
1 1 1 0  22 73 o 6.062000       2.094000      ?             ?      
1 1 1 0  23 1  o 9.264000       1.043000      735.7710      90.0   
1 1 1 0  23 2  o 24.23000       0.9898000     1259.890      90.0   
1 1 1 0  23 3  o 34.71000       1.225000      814.7591      -90.0  
1 1 1 0  23 4  o 72.31000       2.185000      1347.703      90.0   
1 1 1 0  23 5  o 164.8000       4.681000      2183.027      -90.0  
1 1 1 0  23 6  o 29.93000       1.198000      623.2419      90.0   
1 1 1 0  23 7  o 35.71000       1.519000      952.9537      90.0   
1 1 1 0  23 8  o 297.0000       9.586000      2525.748      -90.0  
1 1 1 0  23 9  o 32.02000       1.929000      1288.197      -90.0  
1 1 1 0  23 10 o 9.333000       1.428000      1269.791      90.0   
1 1 1 0  23 11 o 5.966000       1.988000      611.0822      -90.0  
1 1 1 0  23 12 o 61.08000       4.195000      1564.977      -90.0  
1 1 1 0  23 13 f 25.11000       1.886000      358.3227      -90.0  
1 1 1 0  23 14 o 812.2000       45.24000      4347.475      90.0   
1 1 1 0  23 15 o 457.0000       25.66000      3095.543      -90.0  
1 1 1 0  23 16 o 90.09000       3.253000      1925.214      90.0   
1 1 1 0  23 17 o 223.5000       7.387000      2108.948      -90.0  
1 1 1 0  23 18 o 26.47000       1.147000      1032.495      90.0   
1 1 1 0  23 19 o 32.14000       1.332000      946.3336      90.0   
1 1 1 0  23 20 o 286.9000       8.128000      2789.981      90.0   
1 1 1 0  23 21 o 157.0000       4.609000      1798.900      -90.0  
1 1 1 0  23 22 o 0.2805000      1.085000      209.1748      90.0   
1 1 1 0  23 23 o 165.6000       4.932000      1517.598      90.0   
1 1 1 0  23 24 o 53.95000       2.690000      1417.407      -90.0  
1 1 1 0  23 25 o 19.29000       2.191000      776.8307      90.0   
1 1 1 0  23 26 o 300.3000       8.596000      2085.053      90.0   
1 1 1 0  23 27 o 35.17000       1.790000      905.5225      -90.0  
1 1 1 0  23 28 o 46.46000       2.037000      720.4409      90.0   
1 1 1 0  23 29 o 7.562000       1.700000      517.9327      -90.0  
1 1 1 0  23 30 o 84.88000       4.344000      954.2654      90.0   
1 1 1 0  23 31 f 11.57000       1.701000      460.3783      -90.0  
1 1 1 0  23 32 o 169.2000       5.108000      1918.610      90.0   
1 1 1 0  23 33 o 37.07000       1.790000      1148.182      90.0   
1 1 1 0  23 34 o 7.170000       1.308000      726.0751      -90.0  
1 1 1 0  23 35 o 0.5476000      1.278000      198.2582      -90.0  
1 1 1 0  23 36 o 63.49000       2.421000      1157.503      -90.0  
1 1 1 0  23 37 o 69.02000       2.563000      1192.361      -90.0  
1 1 1 0  23 38 o 16.18000       1.498000      455.0170      -90.0  
1 1 1 0  23 39 o 22.12000       1.585000      787.3164      -90.0  
1 1 1 0  23 40 o 41.43000       2.211000      719.1611      -90.0  
1 1 1 0  23 41 o 42.68000       2.632000      967.3648      -90.0  
1 1 1 0  23 42 o 55.32000       2.632000      1054.112      -90.0  
1 1 1 0  23 43 o 7.596000       1.517000      198.2720      90.0   
1 1 1 0  23 44 o 12.41000       1.610000      451.6915      -90.0  
1 1 1 0  23 45 o 85.30000       3.165000      1390.784      90.0   
1 1 1 0  23 46 o 0.2829000E-01  1.965000      228.6180      90.0   
1 1 1 0  23 47 o 12.52000       2.769000      368.2801      90.0   
1 1 1 0  23 48 o 9.523000       2.052000      342.3329      -90.0  
1 1 1 0  23 49 o 142.4000       4.685000      ?             ?      
1 1 1 0  23 50 o 48.02000       2.462000      1066.791      90.0   
1 1 1 0  23 51 o 68.55000       2.937000      1387.160      -90.0  
1 1 1 0  23 52 o 9.085000       1.939000      509.6981      -90.0  
1 1 1 0  23 53 o 62.28000       2.896000      1335.731      90.0   
1 1 1 0  23 54 o 4.281000       1.954000      105.0668      90.0   
1 1 1 0  23 55 o 2.122000       2.170000      160.3854      -90.0  
1 1 1 0  23 56 o 53.09000       3.623000      ?             ?      
1 1 1 0  23 57 o 4.134000       2.185000      ?             ?      
1 1 1 0  23 58 o 0.2447000      1.928000      ?             ?      
1 1 1 0  23 59 o 4.148000       1.918000      ?             ?      
1 1 1 0  23 60 o 1.682000       1.858000      ?             ?      
1 1 1 0  23 61 o -0.9727000     1.825000      ?             ?      
1 1 1 0  23 62 o 2.025000       2.224000      ?             ?      
1 1 1 0  23 63 o 2.898000       2.204000      ?             ?      
1 1 1 0  23 64 o 6.311000       1.914000      ?             ?      
1 1 1 0  23 65 o 4.568000       1.927000      ?             ?      
1 1 1 0  23 66 o 4.278000       2.281000      ?             ?      
1 1 1 0  23 67 o -1.649000      2.275000      ?             ?      
1 1 1 0  23 68 o -0.3441000     2.316000      ?             ?      
1 1 1 0  23 69 o 1.447000       2.190000      ?             ?      
1 1 1 0  23 70 o 0.8351000      2.196000      ?             ?      
1 1 1 0  23 71 o 0.6999000      1.976000      ?             ?      
1 1 1 0  23 72 o 0.5494000      2.000000      ?             ?      
1 1 1 0  24 0  o 742.8000       29.23000      3215.196      180.0  
1 1 1 0  24 1  o 551.8000       15.36000      3368.805      -0.0   
1 1 1 0  24 2  o 53.79000       1.727000      614.8860      180.0  
1 1 1 0  24 3  o 89.43000       2.652000      1385.803      180.0  
1 1 1 0  24 4  o 1.738000       0.6553000     254.0639      180.0  
1 1 1 0  24 5  o 174.2000       4.970000      1648.785      180.0  
1 1 1 0  24 6  o 4.826000       0.6900000     622.9362      180.0  
1 1 1 0  24 7  o 92.26000       3.100000      1477.386      0.0    
1 1 1 0  24 8  o 258.8000       7.308000      2055.031      0.0    
1 1 1 0  24 9  o 149.8000       6.192000      1763.305      180.0  
1 1 1 0  24 10 o 35.68000       2.085000      849.4146      180.0  
1 1 1 0  24 11 o 20.95000       1.711000      583.6481      -180.0 
1 1 1 0  24 12 o 210.2000       8.568000      1856.586      180.0  
1 1 1 0  24 13 o 206.6000       8.478000      2451.683      180.0  
1 1 1 0  24 14 o 3.329000       2.510000      702.9534      180.0  
1 1 1 0  24 15 o 242.9000       13.97000      2597.109      180.0  
1 1 1 0  24 16 o 429.8000       13.97000      2655.166      0.0    
1 1 1 0  24 17 o 16.51000       1.228000      216.2528      180.0  
1 1 1 0  24 18 o 23.42000       1.118000      670.1095      180.0  
1 1 1 0  24 19 o 6.262000       0.8698000     331.0181      180.0  
1 1 1 0  24 20 o 2.171000       0.9341000     50.42429      0.0    
1 1 1 0  24 21 o 8.606000       1.062000      1103.682      -0.0   
1 1 1 0  24 22 o 12.55000       1.172000      17.82150      180.0  
1 1 1 0  24 23 o 95.20000       3.437000      1287.904      -180.0 
1 1 1 0  24 24 o 562.9000       22.17000      3661.156      180.0  
1 1 1 0  24 25 o -1.762000      1.385000      482.2408      180.0  
1 1 1 0  24 26 o 3.039000       1.292000      310.7429      180.0  
1 1 1 0  24 27 o 8.470000       1.296000      394.4501      0.0    
1 1 1 0  24 28 o 4.993000       1.305000      206.0656      0.0    
1 1 1 0  24 29 o 35.14000       1.732000      897.1575      -0.0   
1 1 1 0  24 30 o 9.262000       2.176000      594.4801      180.0  
1 1 1 0  24 31 o 417.9000       13.70000      ?             ?      
1 1 1 0  24 32 o -2.277000      1.272000      199.5294      0.0    
1 1 1 0  24 33 o 41.50000       1.865000      1132.257      -180.0 
1 1 1 0  24 34 o 38.51000       1.813000      938.6489      180.0  
1 1 1 0  24 35 o 1.967000       1.297000      149.3046      -180.0 
1 1 1 0  24 36 o 45.79000       2.018000      1245.292      180.0  
1 1 1 0  24 37 o 10.49000       1.403000      278.5391      -180.0 
1 1 1 0  24 38 o 0.6894000      1.324000      44.10163      180.0  
1 1 1 0  24 39 o 1.667000       1.343000      264.7681      -180.0 
1 1 1 0  24 40 o 2.503000       1.510000      68.64728      0.0    
1 1 1 0  24 41 o 26.76000       1.914000      895.0089      180.0  
1 1 1 0  24 42 o 7.545000       1.495000      563.6172      180.0  
1 1 1 0  24 43 o 122.5000       4.036000      1768.171      -0.0   
1 1 1 0  24 44 o 64.62000       2.654000      1038.941      0.0    
1 1 1 0  24 45 o 4.548000       1.608000      227.0206      0.0    
1 1 1 0  24 46 o 5.521000       1.645000      415.6005      0.0    
1 1 1 0  24 47 o 0.5151000      2.547000      161.0883      -0.0   
1 1 1 0  24 48 o 4.814000       2.022000      371.4630      180.0  
1 1 1 0  24 49 o 2.064000       1.784000      322.2766      180.0  
1 1 1 0  24 50 o 65.88000       2.865000      1229.706      0.0    
1 1 1 0  24 51 o 15.20000       1.971000      625.0492      0.0    
1 1 1 0  24 52 o -2.526000      1.870000      219.9889      0.0    
1 1 1 0  24 53 o 20.85000       2.125000      810.8217      0.0    
1 1 1 0  24 54 o 9.942000       2.008000      539.1635      0.0    
1 1 1 0  24 55 o 102.9000       4.435000      ?             ?      
1 1 1 0  24 56 o 8.916000       2.255000      ?             ?      
1 1 1 0  24 57 o 5.477000       1.965000      ?             ?      
1 1 1 0  24 58 o 9.265000       2.004000      ?             ?      
1 1 1 0  24 59 o 7.640000       1.940000      ?             ?      
1 1 1 0  24 60 o 1.598000       1.823000      ?             ?      
1 1 1 0  24 61 o 3.134000       1.849000      ?             ?      
1 1 1 0  24 62 o 5.040000       2.254000      ?             ?      
1 1 1 0  24 63 o 3.975000       2.872000      ?             ?      
1 1 1 0  24 64 o 2.130000       2.203000      ?             ?      
1 1 1 0  24 65 o 1.400000       2.268000      ?             ?      
1 1 1 0  24 66 o 6.520000       2.347000      ?             ?      
1 1 1 0  24 67 o 18.81000       2.194000      ?             ?      
1 1 1 0  24 68 o 9.903000       2.308000      ?             ?      
1 1 1 0  24 69 o 5.051000       2.606000      ?             ?      
1 1 1 0  24 70 o 2.225000       2.218000      ?             ?      
1 1 1 0  24 71 o 1.009000       1.983000      ?             ?      
1 1 1 0  24 72 o 3.455000       2.063000      ?             ?      
1 1 1 0  25 1  o 153.2000       4.395000      2148.159      -90.0  
1 1 1 0  25 2  o 140.8000       4.057000      1895.111      90.0   
1 1 1 0  25 3  o 12.58000       0.8494000     827.7060      90.0   
1 1 1 0  25 4  o 79.42000       2.403000      940.1801      -90.0  
1 1 1 0  25 5  o 39.79000       1.558000      987.0120      -90.0  
1 1 1 0  25 6  o 68.73000       2.857000      1488.806      90.0   
1 1 1 0  25 7  o 62.68000       2.221000      370.4361      90.0   
1 1 1 0  25 8  o 24.31000       1.070000      779.2199      90.0   
1 1 1 0  25 9  o 2.021000       1.384000      107.6286      -90.0  
1 1 1 0  25 10 o 3.751000       1.413000      333.5165      -90.0  
1 1 1 0  25 12 o 5.763000       1.617000      528.7783      90.0   
1 1 1 0  25 13 o 169.0000       7.044000      1968.216      90.0   
1 1 1 0  25 14 o 949.6000       37.36000      4187.613      90.0   
1 1 1 0  25 15 o 155.8000       6.594000      1550.525      -90.0  
1 1 1 0  25 16 o 42.55000       2.701000      1180.076      90.0   
1 1 1 0  25 17 o 17.04000       2.913000      442.0760      -90.0  
1 1 1 0  25 18 o 5.535000       1.071000      235.3388      90.0   
1 1 1 0  25 19 o 122.7000       4.335000      1770.428      90.0   
1 1 1 0  25 20 o 273.2000       8.918000      2072.873      90.0   
1 1 1 0  25 21 o 10.71000       1.560000      1265.084      90.0   
1 1 1 0  25 22 o 36.46000       1.744000      699.9987      90.0   
1 1 1 0  25 24 o 1.378000       1.181000      673.2016      -90.0  
1 1 1 0  25 25 o 19.15000       1.331000      437.4190      -90.0  
1 1 1 0  25 26 o 76.14000       2.599000      332.4999      90.0   
1 1 1 0  25 27 o 29.24000       1.551000      436.4016      90.0   
1 1 1 0  25 28 o 28.80000       1.581000      482.5843      -90.0  
1 1 1 0  25 29 o 52.35000       2.074000      1434.800      -90.0  
1 1 1 0  25 30 o 6.243000       1.529000      510.2269      -90.0  
1 1 1 0  25 31 o -0.4304000     2.009000      156.5450      90.0   
1 1 1 0  25 32 o 12.71000       1.621000      818.3151      90.0   
1 1 1 0  25 33 o 2.899000       1.256000      315.3476      90.0   
1 1 1 0  25 34 o 276.1000       7.991000      ?             ?      
1 1 1 0  25 35 o -0.1273000     1.289000      43.68564      90.0   
1 1 1 0  25 36 o 13.46000       1.440000      700.4460      -90.0  
1 1 1 0  25 37 o 43.32000       1.971000      1026.206      -90.0  
1 1 1 0  25 38 o 16.25000       1.465000      432.4132      90.0   
1 1 1 0  25 39 o 9.149000       1.512000      265.7663      -90.0  
1 1 1 0  25 40 o 22.82000       2.035000      755.4707      -90.0  
1 1 1 0  25 41 o -0.7100000     1.548000      233.3822      90.0   
1 1 1 0  25 42 o -1.020000      1.436000      18.63156      90.0   
1 1 1 0  25 43 o 46.75000       2.221000      955.3893      90.0   
1 1 1 0  25 45 o 123.7000       4.149000      ?             ?      
1 1 1 0  25 46 o 11.10000       1.713000      445.5555      90.0   
1 1 1 0  25 47 o 2.992000       2.024000      199.1119      90.0   
1 1 1 0  25 48 o 11.88000       2.777000      250.4774      90.0   
1 1 1 0  25 49 o 48.12000       2.885000      1126.114      90.0   
1 1 1 0  25 50 o 1.344000       1.809000      284.8022      90.0   
1 1 1 0  25 51 o 3.028000       1.863000      47.54061      90.0   
1 1 1 0  25 52 o 13.61000       2.021000      605.0356      90.0   
1 1 1 0  25 53 o 27.26000       2.234000      922.8705      90.0   
1 1 1 0  25 54 o 12.19000       2.256000      548.3674      -90.0  
1 1 1 0  25 55 o 30.00000       2.928000      763.4188      90.0   
1 1 1 0  25 56 o 56.42000       3.172000      ?             ?      
1 1 1 0  25 57 o 17.00000       2.127000      ?             ?      
1 1 1 0  25 58 o -1.639000      1.929000      ?             ?      
1 1 1 0  25 59 o 9.141000       1.978000      ?             ?      
1 1 1 0  25 60 o 4.332000       1.836000      ?             ?      
1 1 1 0  25 61 o 17.01000       2.060000      ?             ?      
1 1 1 0  25 62 f 5.983000       2.229000      ?             ?      
1 1 1 0  25 63 o 1.050000       2.216000      ?             ?      
1 1 1 0  25 64 o 4.284000       2.920000      ?             ?      
1 1 1 0  25 65 o 0.5731000      1.884000      ?             ?      
1 1 1 0  25 66 o 13.58000       2.077000      ?             ?      
1 1 1 0  25 67 o 0.3133000      1.936000      ?             ?      
1 1 1 0  25 68 o -2.233000      2.167000      ?             ?      
1 1 1 0  25 69 o 6.200000       2.288000      ?             ?      
1 1 1 0  25 70 o -0.1657000     1.977000      ?             ?      
1 1 1 0  25 71 o 8.499000       2.080000      ?             ?      
1 1 1 0  26 0  o 54.68000       2.578000      793.0614      180.0  
1 1 1 0  26 1  o 30.56000       1.258000      535.4791      0.0    
1 1 1 0  26 2  o -0.9951000E-01 0.8151000     54.76715      0.0    
1 1 1 0  26 3  o 8.596000       0.8673000     866.9604      -180.0 
1 1 1 0  26 4  o 93.86000       2.844000      1466.578      180.0  
1 1 1 0  26 5  o 1.273000       0.8855000     384.2871      180.0  
1 1 1 0  26 6  o 233.5000       7.615000      2175.898      180.0  
1 1 1 0  26 7  o 106.8000       3.161000      1382.286      180.0  
1 1 1 0  26 8  o 320.0000       8.992000      2376.679      0.0    
1 1 1 0  26 9  o 150.0000       5.015000      1957.917      180.0  
1 1 1 0  26 10 o 9.315000       1.571000      507.7224      180.0  
1 1 1 0  26 11 o 197.1000       8.074000      1567.564      180.0  
1 1 1 0  26 12 o 184.0000       7.602000      2643.570      180.0  
1 1 1 0  26 13 o 24.51000       2.062000      473.7795      -180.0 
1 1 1 0  26 14 o 254.6000       10.37000      2196.796      180.0  
1 1 1 0  26 15 o 139.5000       5.978000      1798.316      180.0  
1 1 1 0  26 16 o 37.94000       2.519000      1123.431      0.0    
1 1 1 0  26 17 o 290.3000       11.77000      3158.040      180.0  
1 1 1 0  26 19 o 22.68000       1.442000      570.4572      180.0  
1 1 1 0  26 20 o 87.26000       3.099000      1628.890      180.0  
1 1 1 0  26 21 o 472.5000       18.76000      2862.709      -0.0   
1 1 1 0  26 22 o 38.52000       1.762000      944.0303      0.0    
1 1 1 0  26 23 o -1.228000      1.151000      163.9694      180.0  
1 1 1 0  26 24 o 2.346000       1.119000      148.8726      0.0    
1 1 1 0  26 25 o 50.49000       1.950000      941.8270      180.0  
1 1 1 0  26 26 o 22.83000       1.369000      384.5253      0.0    
1 1 1 0  26 27 o 8.093000       1.207000      90.65691      -180.0 
1 1 1 0  26 28 o 3.248000       1.181000      399.9575      180.0  
1 1 1 0  26 29 o 17.87000       1.361000      723.8868      -0.0   
1 1 1 0  26 30 o 12.93000       1.312000      693.7789      180.0  
1 1 1 0  26 31 o 15.62000       1.628000      893.5604      180.0  
1 1 1 0  26 32 o 1.305000       2.020000      205.6917      0.0    
1 1 1 0  26 33 o 46.71000       1.974000      960.1539      -0.0   
1 1 1 0  26 34 o 13.76000       1.376000      493.5785      0.0    
1 1 1 0  26 35 o 4.596000       1.284000      281.1954      -0.0   
1 1 1 0  26 36 o 91.38000       3.113000      1425.710      180.0  
1 1 1 0  26 37 o 5.144000       1.324000      275.7535      -0.0   
1 1 1 0  26 38 o 6.489000       1.373000      530.6345      180.0  
1 1 1 0  26 39 o 7.123000       1.553000      697.1287      -0.0   
1 1 1 0  26 40 o -0.3689000     1.515000      177.2254      0.0    
1 1 1 0  26 41 o 22.17000       1.655000      648.8917      180.0  
1 1 1 0  26 42 o 15.33000       1.585000      598.3664      180.0  
1 1 1 0  26 43 o 21.31000       1.712000      713.8557      -0.0   
1 1 1 0  26 44 o 6.027000       1.562000      469.3154      180.0  
1 1 1 0  26 45 o 92.27000       3.358000      1240.764      180.0  
1 1 1 0  26 46 o 17.44000       1.815000      634.4545      180.0  
1 1 1 0  26 47 o 35.85000       2.164000      669.2376      180.0  
1 1 1 0  26 48 o 3.581000       2.145000      368.9679      180.0  
1 1 1 0  26 49 o -1.231000      2.109000      5.875744      -0.0   
1 1 1 0  26 50 o 3.904000       1.868000      136.8737      180.0  
1 1 1 0  26 51 o 13.87000       1.992000      660.0841      180.0  
1 1 1 0  26 52 o 8.204000       2.324000      194.9281      180.0  
1 1 1 0  26 53 o 6.028000       1.957000      281.4192      -0.0   
1 1 1 0  26 54 o 16.69000       2.300000      733.2438      180.0  
1 1 1 0  26 55 o 28.59000       2.542000      ?             ?      
1 1 1 0  26 56 o 3.486000       1.957000      ?             ?      
1 1 1 0  26 57 o 18.19000       2.164000      ?             ?      
1 1 1 0  26 58 f 85.54000       3.488000      ?             ?      
1 1 1 0  26 59 o 7.246000       1.910000      ?             ?      
1 1 1 0  26 60 o 3.371000       2.184000      ?             ?      
1 1 1 0  26 61 o 0.3655000E-01  2.272000      ?             ?      
1 1 1 0  26 62 o 1.055000       2.233000      ?             ?      
1 1 1 0  26 63 o 2.419000       2.228000      ?             ?      
1 1 1 0  26 64 o 0.5101000      2.876000      ?             ?      
1 1 1 0  26 65 o 3.753000       2.226000      ?             ?      
1 1 1 0  26 66 o 2.168000       1.909000      ?             ?      
1 1 1 0  26 67 o 34.41000       2.775000      ?             ?      
1 1 1 0  26 68 o 0.1382000      2.550000      ?             ?      
1 1 1 0  26 69 o 7.040000       2.307000      ?             ?      
1 1 1 0  26 70 o 6.883000       2.058000      ?             ?      
1 1 1 0  26 71 o 1.687000       2.029000      ?             ?      
1 1 1 0  27 1  o 66.53000       2.167000      1236.471      90.0   
1 1 1 0  27 2  o 327.0000       9.179000      2755.492      90.0   
1 1 1 0  27 3  o 375.1000       10.51000      2859.928      -90.0  
1 1 1 0  27 4  o 39.37000       1.674000      1161.491      -90.0  
1 1 1 0  27 5  o 102.1000       4.201000      1408.911      -90.0  
1 1 1 0  27 6  o -1.231000      1.057000      298.5050      -90.0  
1 1 1 0  27 7  o 2.588000       0.7099000     381.0148      -90.0  
1 1 1 0  27 8  o 0.3055000E-02  0.5995000     386.2745      -90.0  
1 1 1 0  27 9  o 0.4269000E-01  0.8288000     114.6807      90.0   
1 1 1 0  27 10 o 75.73000       3.557000      1411.570      -90.0  
1 1 1 0  27 11 o 20.43000       1.922000      277.5577      -90.0  
1 1 1 0  27 12 o 8.035000       1.754000      6.682256      -90.0  
1 1 1 0  27 13 o 109.8000       4.873000      1577.033      -90.0  
1 1 1 0  27 14 o -3.455000      1.817000      485.0385      90.0   
1 1 1 0  27 15 o 267.0000       10.83000      2705.278      -90.0  
1 1 1 0  27 16 o 31.72000       2.363000      615.2347      90.0   
1 1 1 0  27 17 o -0.7280000E-01 1.866000      205.6100      -90.0  
1 1 1 0  27 18 o 1.297000       1.962000      1.599299      -90.0  
1 1 1 0  27 19 o 10.15000       2.072000      693.9669      90.0   
1 1 1 0  27 20 o 11.31000       1.181000      341.4574      -90.0  
1 1 1 0  27 21 o 62.59000       2.679000      839.2441      90.0   
1 1 1 0  27 22 o -0.3850000E-01 1.045000      241.1868      -90.0  
1 1 1 0  27 23 o 0.8832000E-01  1.013000      49.05751      90.0   
1 1 1 0  27 24 o 3.260000       1.057000      221.2450      -90.0  
1 1 1 0  27 25 o 10.11000       1.123000      480.3235      -90.0  
1 1 1 0  27 26 o 3.401000       1.162000      44.07206      90.0   
1 1 1 0  27 27 o 35.96000       1.795000      1027.272      -90.0  
1 1 1 0  27 28 o 0.5677000      1.122000      59.36450      90.0   
1 1 1 0  27 29 o 9.034000       1.197000      335.4495      90.0   
1 1 1 0  27 30 o 19.21000       1.369000      310.7389      90.0   
1 1 1 0  27 31 o 12.76000       1.565000      604.5806      90.0   
1 1 1 0  27 32 o 58.03000       3.380000      1055.594      90.0   
1 1 1 0  27 33 o -3.335000      1.475000      83.83786      -90.0  
1 1 1 0  27 34 o 7.749000       1.296000      491.1849      -90.0  
1 1 1 0  27 35 o 39.11000       1.841000      777.0359      -90.0  
1 1 1 0  27 36 o 1.060000       1.293000      263.1976      90.0   
1 1 1 0  27 37 o 17.92000       1.483000      466.2594      -90.0  
1 1 1 0  27 38 o 20.30000       1.693000      507.9242      90.0   
1 1 1 0  27 39 o -0.8055000     1.656000      37.58583      90.0   
1 1 1 0  27 40 o 8.795000       1.472000      435.8053      -90.0  
1 1 1 0  27 41 o 40.42000       2.000000      867.2050      -90.0  
1 1 1 0  27 42 o 0.7010000      1.434000      34.58800      90.0   
1 1 1 0  27 43 o 14.54000       1.613000      746.5207      -90.0  
1 1 1 0  27 44 o 13.33000       1.654000      400.8718      -90.0  
1 1 1 0  27 45 o 21.06000       1.838000      513.2060      90.0   
1 1 1 0  27 46 o -1.040000      1.646000      32.08738      -90.0  
1 1 1 0  27 47 o 5.091000       1.738000      211.7666      -90.0  
1 1 1 0  27 48 o 0.6126000      2.094000      32.93817      90.0   
1 1 1 0  27 49 o 15.78000       3.058000      452.5156      -90.0  
1 1 1 0  27 50 o 50.58000       3.092000      1137.726      -90.0  
1 1 1 0  27 51 o 27.88000       2.218000      607.4614      -90.0  
1 1 1 0  27 52 o 10.59000       2.006000      473.0983      -90.0  
1 1 1 0  27 53 o 1.998000       2.133000      87.60571      90.0   
1 1 1 0  27 54 o 5.882000       2.481000      ?             ?      
1 1 1 0  27 55 o -1.416000      2.123000      ?             ?      
1 1 1 0  27 56 o 47.02000       2.616000      ?             ?      
1 1 1 0  27 57 o 26.66000       2.273000      ?             ?      
1 1 1 0  27 58 o 0.6392000      2.209000      ?             ?      
1 1 1 0  27 59 o 0.6971000      2.142000      ?             ?      
1 1 1 0  27 60 o -0.1236000     2.192000      ?             ?      
1 1 1 0  27 61 o 43.84000       2.582000      ?             ?      
1 1 1 0  27 62 o 4.197000       1.874000      ?             ?      
1 1 1 0  27 63 o 9.234000       1.935000      ?             ?      
1 1 1 0  27 64 o 2.935000       2.219000      ?             ?      
1 1 1 0  27 65 o 4.626000       2.305000      ?             ?      
1 1 1 0  27 66 o 5.095000       2.007000      ?             ?      
1 1 1 0  27 67 o 2.001000       2.180000      ?             ?      
1 1 1 0  27 68 o 3.480000       2.197000      ?             ?      
1 1 1 0  27 69 o 14.15000       2.173000      ?             ?      
1 1 1 0  27 70 o 1.110000       2.022000      ?             ?      
1 1 1 0  28 0  o 69.06000       3.171000      1031.698      -180.0 
1 1 1 0  28 1  o 16.34000       1.141000      974.9771      -0.0   
1 1 1 0  28 2  o 9.258000       1.049000      552.3284      180.0  
1 1 1 0  28 3  o 20.72000       1.346000      464.5307      -0.0   
1 1 1 0  28 4  o 2.280000       1.084000      115.3315      0.0    
1 1 1 0  28 5  o 237.3000       7.768000      1516.832      180.0  
1 1 1 0  28 6  o 51.60000       1.809000      1044.526      0.0    
1 1 1 0  28 7  o 23.61000       1.107000      955.6165      180.0  
1 1 1 0  28 8  o 19.64000       0.9503000     961.1281      180.0  
1 1 1 0  28 9  o 8.248000       0.8640000     218.7981      -0.0   
1 1 1 0  28 10 o 5.993000       1.696000      120.1817      0.0    
1 1 1 0  28 11 o -0.4661000     1.708000      129.0565      -0.0   
1 1 1 0  28 12 o 30.68000       2.248000      1163.771      0.0    
1 1 1 0  28 13 o 90.67000       4.210000      1250.312      180.0  
1 1 1 0  28 14 o 8.242000       1.902000      537.4575      180.0  
1 1 1 0  28 15 o 2.066000       1.874000      426.3386      180.0  
1 1 1 0  28 16 o 37.28000       2.562000      880.4875      0.0    
1 1 1 0  28 17 o 100.3000       4.652000      1354.698      -0.0   
1 1 1 0  28 18 o 44.08000       2.774000      925.8292      0.0    
1 1 1 0  28 19 o 4.602000       1.943000      79.81081      0.0    
1 1 1 0  28 20 o 5.090000       2.010000      27.35060      0.0    
1 1 1 0  28 21 o 102.6000       4.453000      1410.724      -0.0   
1 1 1 0  28 22 o 9.256000       1.091000      549.7530      0.0    
1 1 1 0  28 23 o 13.83000       1.394000      544.9462      -0.0   
1 1 1 0  28 24 o 41.03000       2.046000      846.3767      180.0  
1 1 1 0  28 25 o 9.334000       1.033000      329.3120      180.0  
1 1 1 0  28 26 o 22.89000       1.415000      664.1624      0.0    
1 1 1 0  28 27 o 4.380000       1.170000      18.09150      0.0    
1 1 1 0  28 28 o -0.7233000     1.080000      112.6673      180.0  
1 1 1 0  28 29 o 49.90000       2.152000      1245.371      180.0  
1 1 1 0  28 30 o 9.054000       1.269000      410.4425      180.0  
1 1 1 0  28 31 o 13.44000       1.275000      445.6984      180.0  
1 1 1 0  28 32 o 1.308000       1.441000      82.11130      180.0  
1 1 1 0  28 33 o 13.43000       2.282000      401.3237      -0.0   
1 1 1 0  28 34 o 17.29000       1.708000      437.7843      180.0  
1 1 1 0  28 35 o 54.19000       2.170000      791.3901      180.0  
1 1 1 0  28 36 o 35.54000       1.774000      731.9739      0.0    
1 1 1 0  28 37 o 3.097000       1.309000      43.24795      0.0    
1 1 1 0  28 38 o 1.531000       1.634000      291.3117      0.0    
1 1 1 0  28 39 o -1.227000      1.492000      60.57184      180.0  
1 1 1 0  28 40 o 23.71000       1.689000      505.4931      180.0  
1 1 1 0  28 41 o 0.4228000      1.416000      114.5878      180.0  
1 1 1 0  28 42 o 6.392000       1.494000      381.9898      0.0    
1 1 1 0  28 43 o 4.201000       1.516000      177.0598      180.0  
1 1 1 0  28 44 o 0.9951000      1.559000      148.3710      180.0  
1 1 1 0  28 45 o 3.018000       1.631000      91.66430      -0.0   
1 1 1 0  28 46 o 7.168000       1.713000      285.7078      180.0  
1 1 1 0  28 47 o 46.67000       2.394000      1010.040      180.0  
1 1 1 0  28 48 o 26.71000       2.082000      645.8901      0.0    
1 1 1 0  28 49 o -0.7129000     2.223000      71.69437      0.0    
1 1 1 0  28 50 o 2.201000       2.320000      323.8812      0.0    
1 1 1 0  28 51 o 9.004000       2.011000      482.2655      0.0    
1 1 1 0  28 52 o -3.172000      1.901000      59.49802      180.0  
1 1 1 0  28 53 o 1.705000       2.132000      326.7989      180.0  
1 1 1 0  28 54 o 4.748000       2.752000      ?             ?      
1 1 1 0  28 55 o -1.204000      1.874000      ?             ?      
1 1 1 0  28 56 f 13.74000       2.389000      ?             ?      
1 1 1 0  28 57 o 9.228000       2.288000      ?             ?      
1 1 1 0  28 58 o 12.28000       2.316000      ?             ?      
1 1 1 0  28 59 o -0.1633000     1.784000      ?             ?      
1 1 1 0  28 60 o -0.2488000     1.810000      ?             ?      
1 1 1 0  28 61 o 1.202000       1.838000      ?             ?      
1 1 1 0  28 62 o 2.585000       1.837000      ?             ?      
1 1 1 0  28 63 o 7.973000       1.910000      ?             ?      
1 1 1 0  28 64 o -1.351000      2.206000      ?             ?      
1 1 1 0  28 65 o 9.608000       3.128000      ?             ?      
1 1 1 0  28 66 o 9.815000       2.769000      ?             ?      
1 1 1 0  28 67 o 4.506000       2.545000      ?             ?      
1 1 1 0  28 68 o 1.005000       2.223000      ?             ?      
1 1 1 0  28 69 o 6.405000       2.071000      ?             ?      
1 1 1 0  28 70 o 10.14000       2.074000      ?             ?      
1 1 1 0  29 1  o 5.202000       1.073000      75.90628      90.0   
1 1 1 0  29 2  o 1.163000       1.067000      285.7181      90.0   
1 1 1 0  29 3  o 13.75000       1.319000      604.3786      90.0   
1 1 1 0  29 4  o 44.76000       2.264000      1041.118      90.0   
1 1 1 0  29 5  o -2.222000      1.077000      42.75472      -90.0  
1 1 1 0  29 6  o 56.24000       1.945000      1078.246      -90.0  
1 1 1 0  29 7  o -0.3873000     0.8345000     241.1119      -90.0  
1 1 1 0  29 8  o 90.72000       2.779000      1221.823      -90.0  
1 1 1 0  29 9  o 6.269000       0.6521000     205.9788      -90.0  
1 1 1 0  29 10 o 1.068000       1.755000      42.78349      90.0   
1 1 1 0  29 11 o 11.80000       1.878000      580.1397      -90.0  
1 1 1 0  29 12 o 9.309000       1.927000      361.7314      90.0   
1 1 1 0  29 13 o 18.28000       2.091000      565.6242      90.0   
1 1 1 0  29 14 o 5.638000       1.928000      140.8311      -90.0  
1 1 1 0  29 15 o 25.72000       2.317000      298.2609      -90.0  
1 1 1 0  29 16 o 3.289000       1.910000      106.8562      -90.0  
1 1 1 0  29 17 o 17.62000       2.117000      529.1306      -90.0  
1 1 1 0  29 18 o 8.607000       1.933000      478.8025      90.0   
1 1 1 0  29 19 o 19.07000       2.132000      594.2966      -90.0  
1 1 1 0  29 20 o 53.36000       4.320000      1011.150      90.0   
1 1 1 0  29 22 o 31.11000       1.429000      773.9786      -90.0  
1 1 1 0  29 23 o 30.35000       1.355000      710.7357      -90.0  
1 1 1 0  29 24 o 2.745000       0.9157000     310.1557      90.0   
1 1 1 0  29 25 o 0.9328000      0.9283000     29.60468      -90.0  
1 1 1 0  29 26 o 3.044000       0.9475000     7.313169      -90.0  
1 1 1 0  29 27 o 0.5120000      1.073000      159.7875      90.0   
1 1 1 0  29 28 o 1.810000       1.066000      44.50123      -90.0  
1 1 1 0  29 29 o 1.344000       1.177000      390.3556      90.0   
1 1 1 0  29 30 o 4.048000       1.212000      393.6307      -90.0  
1 1 1 0  29 31 o -1.842000      1.118000      40.27246      -90.0  
1 1 1 0  29 32 o -0.8984000     1.240000      75.75174      90.0   
1 1 1 0  29 33 o 19.52000       1.991000      776.9283      -90.0  
1 1 1 0  29 34 o -0.4659000     1.532000      141.7091      -90.0  
1 1 1 0  29 35 o 11.68000       1.332000      240.3734      -90.0  
1 1 1 0  29 36 o 22.89000       1.536000      591.2748      90.0   
1 1 1 0  29 37 o 0.7144000      1.415000      44.47377      90.0   
1 1 1 0  29 38 o 1.477000       1.484000      142.0704      90.0   
1 1 1 0  29 39 o 25.06000       1.693000      736.1649      -90.0  
1 1 1 0  29 40 o 7.888000       1.449000      491.4856      -90.0  
1 1 1 0  29 41 o 5.630000       1.452000      263.0425      90.0   
1 1 1 0  29 42 o 2.329000       1.474000      145.1912      -90.0  
1 1 1 0  29 43 o 1.783000       1.531000      59.60001      90.0   
1 1 1 0  29 44 o 1.638000       1.587000      35.87724      -90.0  
1 1 1 0  29 45 o 1.239000       1.638000      102.2790      -90.0  
1 1 1 0  29 46 o 2.972000       1.687000      207.9399      90.0   
1 1 1 0  29 47 o 7.992000       1.797000      295.8108      -90.0  
1 1 1 0  29 48 o 9.594000       1.868000      276.0182      -90.0  
1 1 1 0  29 49 o 13.61000       2.371000      534.2939      90.0   
1 1 1 0  29 50 o 1.010000       3.008000      91.64565      -90.0  
1 1 1 0  29 51 o -1.718000      2.278000      122.9627      90.0   
1 1 1 0  29 52 o 2.526000       2.101000      143.8475      -90.0  
1 1 1 0  29 53 o 10.09000       2.571000      ?             ?      
1 1 1 0  29 54 o 11.83000       2.790000      ?             ?      
1 1 1 0  29 55 o -3.642000      2.183000      ?             ?      
1 1 1 0  29 56 o 1.784000       2.114000      ?             ?      
1 1 1 0  29 57 o -0.3845000     1.793000      ?             ?      
1 1 1 0  29 58 o 3.386000       1.812000      ?             ?      
1 1 1 0  29 59 o 0.5656000      1.750000      ?             ?      
1 1 1 0  29 60 o -0.6094000E-01 1.776000      ?             ?      
1 1 1 0  29 61 o 2.662000       1.824000      ?             ?      
1 1 1 0  29 62 o -2.081000      1.796000      ?             ?      
1 1 1 0  29 63 o 3.551000       1.839000      ?             ?      
1 1 1 0  29 64 o 0.9124000E-01  1.861000      ?             ?      
1 1 1 0  29 65 o 1.233000       2.268000      ?             ?      
1 1 1 0  29 66 o 4.101000       4.270000      ?             ?      
1 1 1 0  29 67 o 0.4547000E-01  2.191000      ?             ?      
1 1 1 0  29 68 o 13.81000       2.146000      ?             ?      
1 1 1 0  29 69 o -1.289000      1.989000      ?             ?      
1 1 1 0  30 0  o 10.63000       1.687000      107.9969      -0.0   
1 1 1 0  30 1  o 4.236000       1.147000      218.8112      -180.0 
1 1 1 0  30 2  o 40.54000       1.683000      944.6421      180.0  
1 1 1 0  30 3  o 44.63000       2.398000      787.6749      180.0  
1 1 1 0  30 4  o 10.06000       1.266000      373.8330      180.0  
1 1 1 0  30 5  o 14.20000       1.139000      383.3192      -0.0   
1 1 1 0  30 6  o 22.07000       1.214000      461.7753      0.0    
1 1 1 0  30 7  o 12.86000       1.316000      447.2763      180.0  
1 1 1 0  30 8  o 4.767000       0.7811000     290.6698      0.0    
1 1 1 0  30 9  o 1.769000       0.6128000     179.0976      0.0    
1 1 1 0  30 10 o 4.758000       1.912000      451.2472      0.0    
1 1 1 0  30 11 o 44.37000       2.745000      393.0181      180.0  
1 1 1 0  30 12 o 8.440000       1.949000      231.5608      180.0  
1 1 1 0  30 13 o 11.08000       1.975000      623.3793      180.0  
1 1 1 0  30 14 o 1.389000       1.844000      105.4061      0.0    
1 1 1 0  30 15 o 4.420000       1.890000      193.8653      0.0    
1 1 1 0  30 16 o 25.74000       2.275000      343.8852      0.0    
1 1 1 0  30 17 o 2.456000       1.864000      196.0251      -180.0 
1 1 1 0  30 18 o 10.35000       1.975000      129.0060      0.0    
1 1 1 0  30 19 o 29.33000       2.423000      802.8812      -0.0   
1 1 1 0  30 20 o 15.92000       2.971000      289.7556      0.0    
1 1 1 0  30 22 o 14.62000       2.223000      398.3035      0.0    
1 1 1 0  30 23 o -0.5370000E-01 0.9476000     65.35183      180.0  
1 1 1 0  30 24 o -0.6759000     0.8469000     69.77809      180.0  
1 1 1 0  30 25 o -0.3033000     0.8920000     51.24119      0.0    
1 1 1 0  30 26 o 6.268000       0.9618000     339.9806      0.0    
1 1 1 0  30 27 o 5.786000       1.000000      358.7460      180.0  
1 1 1 0  30 28 o 37.21000       1.953000      538.4745      180.0  
1 1 1 0  30 29 o 3.202000       1.073000      315.1849      180.0  
1 1 1 0  30 30 o 16.35000       1.252000      430.0060      180.0  
1 1 1 0  30 31 o 4.613000       1.149000      77.43074      0.0    
1 1 1 0  30 32 o 13.56000       1.420000      333.0714      0.0    
1 1 1 0  30 33 o 0.4132000      1.734000      318.2195      -0.0   
1 1 1 0  30 34 o 10.72000       2.299000      505.9279      180.0  
1 1 1 0  30 35 o 1.123000       1.725000      150.9842      180.0  
1 1 1 0  30 36 o 26.59000       1.748000      607.3463      0.0    
1 1 1 0  30 37 o 6.422000       1.594000      382.9083      180.0  
1 1 1 0  30 38 o -1.626000      1.438000      188.7034      0.0    
1 1 1 0  30 39 o 18.04000       1.571000      385.7586      -180.0 
1 1 1 0  30 40 o 2.025000       1.370000      63.17080      0.0    
1 1 1 0  30 41 o 0.8347000      1.419000      179.2553      -0.0   
1 1 1 0  30 42 o 1.735000       1.480000      107.4615      180.0  
1 1 1 0  30 43 o 7.434000       1.618000      265.2659      -0.0   
1 1 1 0  30 44 o 2.336000       1.630000      90.66193      180.0  
1 1 1 0  30 45 o -1.498000      1.668000      68.24422      180.0  
1 1 1 0  30 46 o 3.217000       1.724000      197.1192      180.0  
1 1 1 0  30 47 o 10.00000       1.841000      501.4821      -180.0 
1 1 1 0  30 48 o 5.966000       1.833000      259.1443      0.0    
1 1 1 0  30 49 o 6.552000       1.922000      275.4841      180.0  
1 1 1 0  30 50 o 3.291000       2.310000      17.40282      180.0  
1 1 1 0  30 51 o 2.452000       3.037000      276.7394      -0.0   
1 1 1 0  30 52 o 0.3275000      2.708000      ?             ?      
1 1 1 0  30 53 o 4.909000       2.694000      ?             ?      
1 1 1 0  30 54 o 6.617000       2.252000      ?             ?      
1 1 1 0  30 55 o 4.181000       1.829000      ?             ?      
1 1 1 0  30 56 o -0.4721000     1.757000      ?             ?      
1 1 1 0  30 57 o -1.253000      1.745000      ?             ?      
1 1 1 0  30 58 o -1.974000      1.760000      ?             ?      
1 1 1 0  30 59 o 3.696000       1.768000      ?             ?      
1 1 1 0  30 60 o 0.1684000      1.767000      ?             ?      
1 1 1 0  30 61 o -1.175000      1.774000      ?             ?      
1 1 1 0  30 62 o -0.1942000     1.805000      ?             ?      
1 1 1 0  30 63 o -2.408000      1.809000      ?             ?      
1 1 1 0  30 64 o 0.2364000E-01  1.855000      ?             ?      
1 1 1 0  30 65 o -0.8688000     2.078000      ?             ?      
1 1 1 0  30 67 o 1.869000       2.764000      ?             ?      
1 1 1 0  30 68 o 0.3561000      1.964000      ?             ?      
1 1 1 0  30 69 o -0.6703000     1.975000      ?             ?      
1 1 1 0  31 1  o 0.9553000      1.186000      19.61506      90.0   
1 1 1 0  31 2  o 1.197000       1.331000      31.28218      -90.0  
1 1 1 0  31 3  o 0.4467000      1.500000      24.96359      90.0   
1 1 1 0  31 4  o 5.676000       1.255000      550.7925      -90.0  
1 1 1 0  31 5  o 27.60000       1.522000      379.0467      90.0   
1 1 1 0  31 6  o 1.279000       0.9660000     23.64897      -90.0  
1 1 1 0  31 7  o 9.228000       0.9466000     248.7952      -90.0  
1 1 1 0  31 8  o 3.898000       0.7956000     109.7338      -90.0  
1 1 1 0  31 9  o 16.62000       1.212000      231.4260      90.0   
1 1 1 0  31 10 o 18.85000       1.244000      309.5580      90.0   
1 1 1 0  31 11 o 3.005000       1.827000      140.2449      -90.0  
1 1 1 0  31 12 o 0.4470000      1.815000      120.1984      -90.0  
1 1 1 0  31 13 o 3.409000       1.841000      231.7110      90.0   
1 1 1 0  31 14 o 23.11000       2.192000      294.1449      -90.0  
1 1 1 0  31 15 o 3.824000       1.848000      160.7588      -90.0  
1 1 1 0  31 16 o 2.544000       1.853000      179.0449      -90.0  
1 1 1 0  31 17 o -0.3782000     1.818000      78.22147      -90.0  
1 1 1 0  31 18 o 12.97000       2.030000      400.5277      90.0   
1 1 1 0  31 19 o 4.363000       2.732000      74.50011      90.0   
1 1 1 0  31 21 o 2.041000       2.935000      142.0014      -90.0  
1 1 1 0  31 22 o 2.541000       1.948000      61.96360      -90.0  
1 1 1 0  31 23 o 7.257000       1.962000      320.7079      -90.0  
1 1 1 0  31 24 o 8.056000       0.8424000     340.6151      90.0   
1 1 1 0  31 25 o 0.3378000      0.8653000     61.86946      90.0   
1 1 1 0  31 26 o 3.845000       0.9288000     296.4967      -90.0  
1 1 1 0  31 27 o 11.85000       1.316000      293.8251      -90.0  
1 1 1 0  31 28 o 3.098000       0.9933000     132.9653      -90.0  
1 1 1 0  31 29 o 6.251000       1.310000      123.4179      -90.0  
1 1 1 0  31 30 o 2.620000       1.055000      165.4816      90.0   
1 1 1 0  31 31 o 10.05000       1.184000      81.77514      90.0   
1 1 1 0  31 32 o 6.454000       1.180000      306.0881      90.0   
1 1 1 0  31 33 o 12.80000       1.295000      218.0205      90.0   
1 1 1 0  31 34 o 2.889000       1.533000      186.9094      90.0   
1 1 1 0  31 35 o 20.66000       3.750000      497.8678      -90.0  
1 1 1 0  31 36 o 2.898000       2.240000      119.6163      90.0   
1 1 1 0  31 37 o 9.413000       1.531000      361.6263      90.0   
1 1 1 0  31 38 o 6.350000       1.509000      209.7392      -90.0  
1 1 1 0  31 39 o 3.730000       1.521000      175.6934      -90.0  
1 1 1 0  31 40 o 13.96000       1.575000      257.6216      90.0   
1 1 1 0  31 41 o -0.7157000     1.473000      9.270391      -90.0  
1 1 1 0  31 42 o 6.257000       1.553000      323.7324      90.0   
1 1 1 0  31 43 o 8.049000       1.666000      187.2672      -90.0  
1 1 1 0  31 44 o 3.156000       1.667000      238.4348      90.0   
1 1 1 0  31 45 o 4.068000       1.724000      262.6020      90.0   
1 1 1 0  31 46 o 3.075000       1.736000      20.60674      -90.0  
1 1 1 0  31 47 o 6.659000       1.791000      315.5390      -90.0  
1 1 1 0  31 48 o -1.985000      1.804000      15.53691      90.0   
1 1 1 0  31 49 o 24.50000       2.514000      498.8029      90.0   
1 1 1 0  31 50 o -2.163000      2.157000      84.64992      -90.0  
1 1 1 0  31 51 o 1.031000       4.130000      63.46198      -90.0  
1 1 1 0  31 53 o 8.096000       2.113000      ?             ?      
1 1 1 0  31 54 o 4.287000       1.817000      ?             ?      
1 1 1 0  31 55 o 0.2442000      1.750000      ?             ?      
1 1 1 0  31 56 o -0.3604000     1.733000      ?             ?      
1 1 1 0  31 57 o -0.6771000     1.752000      ?             ?      
1 1 1 0  31 58 o 0.3577000      1.795000      ?             ?      
1 1 1 0  31 59 o 1.027000       1.753000      ?             ?      
1 1 1 0  31 60 o 2.217000       1.789000      ?             ?      
1 1 1 0  31 61 o -3.624000      1.784000      ?             ?      
1 1 1 0  31 62 o -0.4744000     1.779000      ?             ?      
1 1 1 0  31 63 o -1.203000      1.787000      ?             ?      
1 1 1 0  31 64 o 5.757000       1.916000      ?             ?      
1 1 1 0  31 65 o -0.2007000     2.080000      ?             ?      
1 1 1 0  31 66 o -2.235000      2.730000      ?             ?      
1 1 1 0  31 67 o 7.908000       3.108000      ?             ?      
1 1 1 0  31 68 o -0.3112000     2.280000      ?             ?      
1 1 1 0  32 0  o 20.55000       1.977000      339.5745      -0.0   
1 1 1 0  32 1  o 12.93000       1.332000      216.8367      -0.0   
1 1 1 0  32 2  o 28.85000       1.760000      186.2635      180.0  
1 1 1 0  32 3  o 61.91000       2.579000      508.4072      -0.0   
1 1 1 0  32 4  o 10.17000       1.199000      297.2601      180.0  
1 1 1 0  32 5  o -2.439000      1.067000      2.721176      0.0    
1 1 1 0  32 6  o 3.743000       0.9804000     318.7628      0.0    
1 1 1 0  32 7  o 4.675000       0.9007000     382.3659      0.0    
1 1 1 0  32 8  o 2.037000       0.7988000     228.0290      0.0    
1 1 1 0  32 9  o 0.3725000      0.6958000     108.6539      180.0  
1 1 1 0  32 10 o 2.944000       0.8476000     17.04905      180.0  
1 1 1 0  32 11 o 19.14000       2.033000      469.3103      180.0  
1 1 1 0  32 12 o 23.55000       2.158000      165.9255      0.0    
1 1 1 0  32 13 o 6.716000       1.843000      248.8456      0.0    
1 1 1 0  32 14 o -0.2577000     1.812000      30.11338      180.0  
1 1 1 0  32 15 o 2.479000       1.802000      59.64204      180.0  
1 1 1 0  32 16 o 11.44000       1.929000      401.3938      0.0    
1 1 1 0  32 17 o 4.669000       1.851000      328.7574      -0.0   
1 1 1 0  32 18 o 5.319000       1.930000      111.9272      180.0  
1 1 1 0  32 19 o 7.271000       2.764000      100.3709      0.0    
1 1 1 0  32 21 o 5.677000       2.050000      341.2068      -0.0   
1 1 1 0  32 22 o 8.498000       2.018000      98.57364      180.0  
1 1 1 0  32 23 o 5.673000       1.957000      219.1561      -0.0   
1 1 1 0  32 24 o 0.3045000      1.875000      59.58773      180.0  
1 1 1 0  32 25 o 5.011000       1.175000      224.2921      -180.0 
1 1 1 0  32 26 o 1.582000       0.8737000     117.9129      180.0  
1 1 1 0  32 27 f 1.129000       0.9277000     127.5360      180.0  
1 1 1 0  32 28 o 3.967000       0.9949000     82.00058      180.0  
1 1 1 0  32 29 o -0.8915000E-01 1.014000      41.57088      180.0  
1 1 1 0  32 30 o 33.60000       1.869000      364.3329      0.0    
1 1 1 0  32 31 o 0.4611000      1.063000      85.10123      -180.0 
1 1 1 0  32 32 o 0.8084000      1.122000      90.75701      0.0    
1 1 1 0  32 33 o 10.77000       1.526000      302.1327      -180.0 
1 1 1 0  32 34 o -0.4831000     1.206000      99.92397      180.0  
1 1 1 0  32 35 o 0.8001000      1.784000      55.55726      -0.0   
1 1 1 0  32 36 o 0.9060000      2.476000      77.21538      0.0    
1 1 1 0  32 37 o 10.13000       1.549000      321.6568      180.0  
1 1 1 0  32 38 o 2.800000       1.499000      176.6766      180.0  
1 1 1 0  32 39 o -1.888000      1.513000      144.3213      -0.0   
1 1 1 0  32 40 o 4.921000       1.584000      213.5558      0.0    
1 1 1 0  32 41 o 3.324000       1.662000      151.9074      180.0  
1 1 1 0  32 42 o -0.1796000     1.738000      121.0527      0.0    
1 1 1 0  32 43 o 2.404000       1.781000      81.39069      -180.0 
1 1 1 0  32 44 o 1.810000       1.676000      201.8676      180.0  
1 1 1 0  32 45 o 2.757000       1.675000      171.2042      -180.0 
1 1 1 0  32 46 o 2.920000       1.704000      75.31867      180.0  
1 1 1 0  32 47 o 3.764000       2.094000      10.12766      0.0    
1 1 1 0  32 48 o -0.4213000     2.145000      241.6956      0.0    
1 1 1 0  32 49 o 4.845000       2.304000      250.3632      -0.0   
1 1 1 0  32 50 o 5.069000       2.256000      101.0382      0.0    
1 1 1 0  32 51 o 1.119000       2.570000      ?             ?      
1 1 1 0  32 52 o 3.325000       4.146000      ?             ?      
1 1 1 0  32 53 o -0.3944000     2.141000      ?             ?      
1 1 1 0  32 54 o -1.238000      1.731000      ?             ?      
1 1 1 0  32 55 o -0.8566000     1.697000      ?             ?      
1 1 1 0  32 56 o 9.165000       1.834000      ?             ?      
1 1 1 0  32 57 o 5.077000       1.775000      ?             ?      
1 1 1 0  32 58 o -2.134000      1.737000      ?             ?      
1 1 1 0  32 59 o 1.585000       1.781000      ?             ?      
1 1 1 0  32 60 f 3.482000       1.805000      ?             ?      
1 1 1 0  32 61 o 1.216000       1.800000      ?             ?      
1 1 1 0  32 62 o 2.806000       1.826000      ?             ?      
1 1 1 0  32 63 o 3.827000       1.847000      ?             ?      
1 1 1 0  32 64 o 0.1502000      2.010000      ?             ?      
1 1 1 0  32 65 o 1.597000       2.348000      ?             ?      
1 1 1 0  32 66 o 0.1088000      2.111000      ?             ?      
1 1 1 0  32 67 o -0.6102000     2.307000      ?             ?      
1 1 1 0  32 68 o -0.2698000     2.320000      ?             ?      
1 1 1 0  33 1  o 64.64000       2.668000      743.6948      90.0   
1 1 1 0  33 2  o 8.970000       1.644000      37.72802      90.0   
1 1 1 0  33 3  o -2.338000      1.274000      292.9124      -90.0  
1 1 1 0  33 4  o 2.810000       1.078000      277.6491      90.0   
1 1 1 0  33 5  o 24.04000       1.304000      639.9135      -90.0  
1 1 1 0  33 6  o 15.45000       1.117000      355.4826      90.0   
1 1 1 0  33 7  o 15.13000       1.043000      408.3575      90.0   
1 1 1 0  33 8  o 0.7908000      0.8120000     76.57044      -90.0  
1 1 1 0  33 9  o 49.46000       2.828000      525.9075      90.0   
1 1 1 0  33 10 o -1.350000      0.8107000     103.0841      -90.0  
1 1 1 0  33 11 o -0.6202000     1.733000      199.3460      90.0   
1 1 1 0  33 12 o -4.599000      1.764000      44.30645      -90.0  
1 1 1 0  33 13 o 5.056000       1.823000      37.43334      -90.0  
1 1 1 0  33 14 o 2.515000       1.771000      35.64292      90.0   
1 1 1 0  33 15 o 0.6550000      1.753000      263.6506      90.0   
1 1 1 0  33 16 o 0.2487000      1.769000      356.9844      90.0   
1 1 1 0  33 17 o 1.981000       1.781000      9.427200      -90.0  
1 1 1 0  33 18 o 4.541000       2.531000      400.0777      -90.0  
1 1 1 0  33 20 o 4.536000       2.860000      246.8624      -90.0  
1 1 1 0  33 21 o 15.92000       2.121000      258.7977      90.0   
1 1 1 0  33 22 o 2.172000       1.900000      265.0522      90.0   
1 1 1 0  33 23 o 6.661000       1.961000      239.5142      -90.0  
1 1 1 0  33 24 o 4.798000       1.932000      73.42078      -90.0  
1 1 1 0  33 25 o 17.70000       2.149000      445.8503      -90.0  
1 1 1 0  33 26 o 2.957000       0.9674000     287.6728      -90.0  
1 1 1 0  33 27 o 1.724000       0.8961000     93.02787      -90.0  
1 1 1 0  33 28 o 0.9310000      0.9271000     142.2211      -90.0  
1 1 1 0  33 29 o -0.6755000     0.9687000     86.31795      90.0   
1 1 1 0  33 30 o -0.1680000     1.028000      104.1206      90.0   
1 1 1 0  33 31 o -0.4530000     1.041000      53.96790      90.0   
1 1 1 0  33 32 o 2.530000       1.094000      188.0622      -90.0  
1 1 1 0  33 33 o -2.139000      1.130000      29.39662      90.0   
1 1 1 0  33 34 o 2.664000       1.238000      65.99082      -90.0  
1 1 1 0  33 35 o 1.644000       1.372000      108.7441      90.0   
1 1 1 0  33 36 o 10.95000       3.761000      246.1213      -90.0  
1 1 1 0  33 37 o 2.570000       1.693000      175.3737      90.0   
1 1 1 0  33 38 o 3.814000       1.359000      37.62888      90.0   
1 1 1 0  33 39 o 1.502000       1.381000      11.74512      90.0   
1 1 1 0  33 40 o 1.353000       1.460000      90.65008      -90.0  
1 1 1 0  33 41 o 0.6099000      1.687000      60.38596      -90.0  
1 1 1 0  33 42 o 25.44000       2.668000      534.1063      -90.0  
1 1 1 0  33 43 o 11.29000       1.725000      180.7479      90.0   
1 1 1 0  33 44 o 1.548000       1.799000      37.02424      90.0   
1 1 1 0  33 45 o 5.025000       2.312000      326.9195      -90.0  
1 1 1 0  33 46 o 2.730000       1.872000      71.30770      -90.0  
1 1 1 0  33 47 o 2.970000       2.132000      142.6299      90.0   
1 1 1 0  33 48 o 8.250000       1.885000      146.1873      90.0   
1 1 1 0  33 49 o 3.024000       1.818000      120.1877      -90.0  
1 1 1 0  33 50 o 3.569000       1.978000      ?             ?      
1 1 1 0  33 51 o 13.10000       2.385000      ?             ?      
1 1 1 0  33 52 o 4.510000       2.203000      ?             ?      
1 1 1 0  33 53 o 7.099000       2.979000      ?             ?      
1 1 1 0  33 54 o 5.079000       1.738000      ?             ?      
1 1 1 0  33 55 o 2.567000       1.700000      ?             ?      
1 1 1 0  33 56 o 0.1319000      1.706000      ?             ?      
1 1 1 0  33 57 o 4.410000       2.049000      ?             ?      
1 1 1 0  33 58 o 2.844000       1.722000      ?             ?      
1 1 1 0  33 59 o 5.389000       1.802000      ?             ?      
1 1 1 0  33 60 o 0.9933000E-01  1.745000      ?             ?      
1 1 1 0  33 61 o 0.5287000      1.759000      ?             ?      
1 1 1 0  33 62 o -0.2664000     1.757000      ?             ?      
1 1 1 0  33 63 o 1.543000       1.826000      ?             ?      
1 1 1 0  33 64 o 0.5045000      2.014000      ?             ?      
1 1 1 0  33 65 o 0.5270000      2.035000      ?             ?      
1 1 1 0  33 66 o -0.8418000     1.854000      ?             ?      
1 1 1 0  33 67 o -3.125000      2.234000      ?             ?      
1 1 1 0  34 0  o -0.1517000     1.616000      58.83795      -180.0 
1 1 1 0  34 1  o 8.618000       1.411000      271.9435      180.0  
1 1 1 0  34 2  o 30.88000       2.016000      587.3921      180.0  
1 1 1 0  34 3  o 5.414000       1.090000      296.7771      -0.0   
1 1 1 0  34 4  o 23.76000       1.303000      333.5001      0.0    
1 1 1 0  34 5  o 1.202000       1.023000      169.7518      180.0  
1 1 1 0  34 6  o 3.094000       0.9821000     123.7298      180.0  
1 1 1 0  34 7  o 24.49000       1.368000      562.5989      180.0  
1 1 1 0  34 8  o 3.386000       0.8265000     157.3646      180.0  
1 1 1 0  34 10 o 7.183000       0.7159000     355.7172      0.0    
1 1 1 0  34 11 o 7.548000       1.773000      222.3451      -0.0   
1 1 1 0  34 12 o 8.519000       1.788000      193.5761      0.0    
1 1 1 0  34 13 o 35.20000       2.411000      520.5064      180.0  
1 1 1 0  34 14 o 4.236000       1.766000      43.47401      0.0    
1 1 1 0  34 15 o 0.2710000      1.733000      64.42734      180.0  
1 1 1 0  34 16 o 8.605000       1.825000      82.93637      0.0    
1 1 1 0  34 17 o 13.67000       1.966000      302.4715      0.0    
1 1 1 0  34 18 o -0.3918000     2.524000      148.8739      0.0    
1 1 1 0  34 20 o 1.424000       1.903000      329.6097      0.0    
1 1 1 0  34 21 o 17.41000       2.118000      504.6421      -0.0   
1 1 1 0  34 22 o 3.411000       1.854000      142.5890      0.0    
1 1 1 0  34 23 o 0.4052000      1.832000      103.7330      -0.0   
1 1 1 0  34 24 o 13.15000       2.048000      321.1158      0.0    
1 1 1 0  34 25 o 3.885000       1.933000      244.7973      0.0    
1 1 1 0  34 26 o 5.439000       1.941000      263.2304      0.0    
1 1 1 0  34 27 o 4.488000       0.9707000     252.2476      0.0    
1 1 1 0  34 28 o 0.7984000      0.8991000     136.3257      0.0    
1 1 1 0  34 29 o 0.9461000E-01  0.9481000     275.4433      0.0    
1 1 1 0  34 30 o 5.980000       1.240000      432.0451      0.0    
1 1 1 0  34 31 o 4.622000       1.058000      278.7501      -0.0   
1 1 1 0  34 32 o 0.9553000E-01  1.074000      133.2934      180.0  
1 1 1 0  34 33 o 2.437000       1.124000      164.7922      -180.0 
1 1 1 0  34 34 o 1.330000       1.259000      189.8115      0.0    
1 1 1 0  34 35 o 3.794000       1.504000      190.6368      180.0  
1 1 1 0  34 36 o 1.494000       1.771000      149.6314      180.0  
1 1 1 0  34 37 o 3.839000       2.330000      34.53316      -180.0 
1 1 1 0  34 38 o -1.188000      1.658000      27.20241      0.0    
1 1 1 0  34 39 o 12.88000       1.534000      313.2067      0.0    
1 1 1 0  34 40 o 49.77000       2.734000      797.1511      180.0  
1 1 1 0  34 41 o 7.989000       1.574000      334.5670      -0.0   
1 1 1 0  34 42 o -1.293000      1.528000      31.69503      0.0    
1 1 1 0  34 43 o 0.3187000      1.904000      83.60220      -0.0   
1 1 1 0  34 44 o 0.9187000      1.775000      160.2812      0.0    
1 1 1 0  34 45 o 6.790000       2.431000      363.8631      0.0    
1 1 1 0  34 46 o 0.3619000      1.716000      87.55755      0.0    
1 1 1 0  34 47 o 8.234000       1.834000      418.3657      -0.0   
1 1 1 0  34 48 o -0.5490000     1.940000      70.75823      0.0    
1 1 1 0  34 49 o -0.5259000     1.923000      ?             ?      
1 1 1 0  34 50 o 2.764000       1.968000      ?             ?      
1 1 1 0  34 51 o 1.579000       1.936000      ?             ?      
1 1 1 0  34 52 o 2.538000       2.078000      ?             ?      
1 1 1 0  34 53 o 6.156000       2.974000      ?             ?      
1 1 1 0  34 54 o 0.4886000      2.021000      ?             ?      
1 1 1 0  34 55 o -0.2219000     1.687000      ?             ?      
1 1 1 0  34 56 f 7.441000       1.775000      ?             ?      
1 1 1 0  34 57 o 1.294000       1.683000      ?             ?      
1 1 1 0  34 58 o 0.4397000      1.699000      ?             ?      
1 1 1 0  34 59 o 2.304000       1.722000      ?             ?      
1 1 1 0  34 60 o 2.268000       1.747000      ?             ?      
1 1 1 0  34 61 o -0.4172000     1.729000      ?             ?      
1 1 1 0  34 62 o 0.5352000      1.766000      ?             ?      
1 1 1 0  34 63 o -0.4578000     1.976000      ?             ?      
1 1 1 0  34 64 o -0.2615000     2.284000      ?             ?      
1 1 1 0  34 65 o -0.4991000E-01 2.016000      ?             ?      
1 1 1 0  34 66 o -2.058000      1.832000      ?             ?      
1 1 1 0  35 1  o 0.5626000E-01  1.540000      55.11898      -90.0  
1 1 1 0  35 2  o 13.61000       1.366000      511.5526      -90.0  
1 1 1 0  35 3  o 18.98000       1.228000      545.4711      90.0   
1 1 1 0  35 4  o -1.480000      1.013000      37.68105      90.0   
1 1 1 0  35 5  o 14.11000       1.278000      523.6134      -90.0  
1 1 1 0  35 6  o 62.77000       2.131000      964.4957      -90.0  
1 1 1 0  35 7  o -0.2111000     0.9222000     427.4800      -90.0  
1 1 1 0  35 8  o 0.4158000      0.8104000     43.92281      -90.0  
1 1 1 0  35 9  o 23.13000       1.073000      1054.829      90.0   
1 1 1 0  35 10 o 0.7576000      0.6524000     268.0011      -90.0  
1 1 1 0  35 11 o 18.62000       1.938000      803.6689      90.0   
1 1 1 0  35 12 o 24.23000       2.112000      676.0501      -90.0  
1 1 1 0  35 13 o 11.40000       1.870000      374.1749      90.0   
1 1 1 0  35 14 o 11.34000       1.858000      310.4228      -90.0  
1 1 1 0  35 15 o 2.290000       1.742000      150.5086      -90.0  
1 1 1 0  35 16 o 4.105000       1.768000      133.1618      -90.0  
1 1 1 0  35 17 o -2.659000      2.425000      86.72307      -90.0  
1 1 1 0  35 19 o 25.64000       3.347000      795.5456      90.0   
1 1 1 0  35 20 o 3.798000       1.895000      21.68092      90.0   
1 1 1 0  35 21 o -3.928000      1.869000      329.8991      90.0   
1 1 1 0  35 22 o 5.822000       1.886000      212.4598      90.0   
1 1 1 0  35 23 o 2.482000       1.857000      47.17340      90.0   
1 1 1 0  35 24 o -1.156000      1.847000      130.0624      90.0   
1 1 1 0  35 25 o 0.5113000      1.847000      28.57082      90.0   
1 1 1 0  35 26 o 7.931000       1.962000      260.7702      90.0   
1 1 1 0  35 27 o 4.283000       1.955000      121.3334      90.0   
1 1 1 0  35 28 o 7.291000       0.8417000     350.1278      -90.0  
1 1 1 0  35 29 o 0.6412000      0.8952000     159.7213      90.0   
1 1 1 0  35 30 o 9.950000       1.051000      572.4927      90.0   
1 1 1 0  35 31 o -0.6683000     1.016000      85.91685      90.0   
1 1 1 0  35 32 o 6.471000       1.094000      196.5780      90.0   
1 1 1 0  35 33 o 2.515000       1.131000      186.7966      90.0   
1 1 1 0  35 34 o -0.2480000     1.278000      127.9992      -90.0  
1 1 1 0  35 35 o 1.245000       1.337000      141.0796      90.0   
1 1 1 0  35 36 o 1.865000       1.289000      39.26035      -90.0  
1 1 1 0  35 37 o 2.100000       1.601000      108.9869      -90.0  
1 1 1 0  35 38 o 14.59000       2.622000      635.4103      -90.0  
1 1 1 0  35 39 o 2.294000       1.837000      232.4014      90.0   
1 1 1 0  35 40 o 3.225000       1.937000      182.6025      90.0   
1 1 1 0  35 41 o 2.821000       1.941000      121.8944      -90.0  
1 1 1 0  35 42 o 1.361000       1.591000      231.7798      90.0   
1 1 1 0  35 43 o 20.37000       2.192000      873.5455      90.0   
1 1 1 0  35 44 o 3.609000       1.668000      283.7579      -90.0  
1 1 1 0  35 45 o 0.7867000      1.678000      153.8742      90.0   
1 1 1 0  35 46 o 18.76000       1.892000      662.3863      90.0   
1 1 1 0  35 47 o 2.110000       1.917000      85.10249      -90.0  
1 1 1 0  35 48 o -0.6565000     1.848000      ?             ?      
1 1 1 0  35 49 o 3.129000       2.095000      ?             ?      
1 1 1 0  35 50 o 15.77000       2.101000      ?             ?      
1 1 1 0  35 51 o 9.198000       1.971000      ?             ?      
1 1 1 0  35 52 o -1.227000      1.812000      ?             ?      
1 1 1 0  35 53 o -1.316000      2.039000      ?             ?      
1 1 1 0  35 54 o 26.73000       3.393000      ?             ?      
1 1 1 0  35 55 o 4.523000       2.090000      ?             ?      
1 1 1 0  35 56 f -2.395000      1.634000      ?             ?      
1 1 1 0  35 57 o -0.9128000     1.649000      ?             ?      
1 1 1 0  35 58 o 5.081000       1.717000      ?             ?      
1 1 1 0  35 59 o -1.495000      1.692000      ?             ?      
1 1 1 0  35 60 o -0.8194000     1.715000      ?             ?      
1 1 1 0  35 61 o 1.318000       1.779000      ?             ?      
1 1 1 0  35 62 o 10.82000       1.943000      ?             ?      
1 1 1 0  35 63 o 1.889000       1.982000      ?             ?      
1 1 1 0  35 64 o 2.200000       2.015000      ?             ?      
1 1 1 0  35 65 o 2.193000       1.839000      ?             ?      
1 1 1 0  35 66 o 0.4594000      1.891000      ?             ?      
1 1 1 0  36 0  o 3.136000       2.179000      20.74434      180.0  
1 1 1 0  36 1  o 3.372000       1.506000      200.7230      180.0  
1 1 1 0  36 2  o 7.398000       1.261000      253.2887      0.0    
1 1 1 0  36 3  o 15.22000       1.146000      439.7935      -0.0   
1 1 1 0  36 4  o 1.195000       0.9951000     166.9579      180.0  
1 1 1 0  36 5  o 29.28000       1.380000      708.4794      -0.0   
1 1 1 0  36 6  o 8.106000       1.002000      321.3409      0.0    
1 1 1 0  36 7  o 4.701000       0.9122000     250.9629      180.0  
1 1 1 0  36 8  o 0.8095000      0.7996000     108.8342      180.0  
1 1 1 0  36 9  o 0.3333000      0.7341000     309.5022      -0.0   
1 1 1 0  36 10 o 3.467000       0.6352000     237.1637      0.0    
1 1 1 0  36 11 o 1.015000       1.658000      268.7299      0.0    
1 1 1 0  36 12 o 2.966000       1.711000      219.0758      180.0  
1 1 1 0  36 13 o 43.79000       2.652000      899.8182      -0.0   
1 1 1 0  36 14 o 5.248000       1.762000      227.8242      180.0  
1 1 1 0  36 15 o -0.8189000     1.741000      184.0908      180.0  
1 1 1 0  36 16 o 10.88000       1.856000      621.3719      0.0    
1 1 1 0  36 17 o 17.07000       2.850000      478.3571      -0.0   
1 1 1 0  36 19 o 1.459000       1.885000      248.9990      180.0  
1 1 1 0  36 20 o 7.465000       1.910000      214.1033      0.0    
1 1 1 0  36 21 o 8.738000       1.922000      493.1559      -0.0   
1 1 1 0  36 22 o 2.209000       1.868000      86.20843      0.0    
1 1 1 0  36 23 o 36.27000       2.605000      709.5769      180.0  
1 1 1 0  36 24 o 4.055000       1.911000      221.2223      0.0    
1 1 1 0  36 25 o 16.89000       2.155000      510.4567      -0.0   
1 1 1 0  36 26 o 6.703000       2.012000      402.3125      0.0    
1 1 1 0  36 27 o 19.00000       2.244000      622.1088      -0.0   
1 1 1 0  36 28 o 4.815000       0.6865000     412.7686      180.0  
1 1 1 0  36 29 o 2.106000       0.9161000     123.9015      -180.0 
1 1 1 0  36 30 o 4.483000       0.9346000     460.5405      0.0    
1 1 1 0  36 31 o 13.00000       1.099000      694.2770      180.0  
1 1 1 0  36 32 o 0.2532000      1.044000      65.58012      180.0  
1 1 1 0  36 33 f 6.192000       1.236000      458.1629      180.0  
1 1 1 0  36 34 o 5.617000       1.440000      180.1086      180.0  
1 1 1 0  36 35 o 19.18000       1.603000      438.9359      180.0  
1 1 1 0  36 36 o 10.06000       1.677000      309.0338      180.0  
1 1 1 0  36 37 o 15.81000       1.513000      610.5364      -0.0   
1 1 1 0  36 38 o 4.545000       2.489000      179.0874      180.0  
1 1 1 0  36 39 o 5.052000       2.611000      192.0584      -180.0 
1 1 1 0  36 40 o 47.29000       2.699000      1158.072      180.0  
1 1 1 0  36 41 o 2.033000       1.921000      61.90051      -0.0   
1 1 1 0  36 42 o 4.854000       1.632000      397.5644      180.0  
1 1 1 0  36 43 o 3.505000       1.655000      76.68963      -0.0   
1 1 1 0  36 44 o 1.194000       1.657000      202.4846      180.0  
1 1 1 0  36 45 o 0.3604000      1.665000      212.3784      0.0    
1 1 1 0  36 46 o 6.754000       1.714000      199.4806      0.0    
1 1 1 0  36 47 o 1.303000       1.680000      ?             ?      
1 1 1 0  36 48 o 3.289000       1.865000      ?             ?      
1 1 1 0  36 49 o -1.589000      2.080000      ?             ?      
1 1 1 0  36 50 o 4.311000       1.872000      ?             ?      
1 1 1 0  36 51 o 3.978000       1.854000      ?             ?      
1 1 1 0  36 52 o 3.970000       1.855000      ?             ?      
1 1 1 0  36 53 o 2.084000       1.665000      ?             ?      
1 1 1 0  36 54 o 3.123000       2.367000      ?             ?      
1 1 1 0  36 55 o 4.804000       3.968000      ?             ?      
1 1 1 0  36 56 o 0.7022000E-01  1.790000      ?             ?      
1 1 1 0  36 57 o 0.9503000      1.655000      ?             ?      
1 1 1 0  36 58 o 1.750000       1.673000      ?             ?      
1 1 1 0  36 59 o -0.3346000     1.699000      ?             ?      
1 1 1 0  36 60 o 4.567000       1.779000      ?             ?      
1 1 1 0  36 61 o 2.164000       1.770000      ?             ?      
1 1 1 0  36 62 o 1.250000       1.935000      ?             ?      
1 1 1 0  36 63 o 0.1674000      2.204000      ?             ?      
1 1 1 0  36 64 o -0.8147000     1.988000      ?             ?      
1 1 1 0  36 65 o 2.191000       1.849000      ?             ?      
1 1 1 0  37 1  o 5.270000       1.271000      167.6324      90.0   
1 1 1 0  37 2  o 15.34000       1.188000      706.2230      90.0   
1 1 1 0  37 3  o 2.492000       1.022000      426.0779      90.0   
1 1 1 0  37 4  o 9.632000       1.048000      595.7776      -90.0  
1 1 1 0  37 5  o 4.235000       0.9803000     318.8492      -90.0  
1 1 1 0  37 6  o 23.39000       1.232000      662.4199      -90.0  
1 1 1 0  37 7  o 88.86000       2.771000      1584.927      -90.0  
1 1 1 0  37 8  o 36.38000       1.423000      728.1510      90.0   
1 1 1 0  37 9  o 9.930000       0.8439000     493.7158      90.0   
1 1 1 0  37 10 o -0.6535000     0.9043000     167.1332      90.0   
1 1 1 0  37 11 o 41.54000       2.553000      1203.964      90.0   
1 1 1 0  37 12 o 6.538000       1.761000      306.3797      90.0   
1 1 1 0  37 13 o 11.06000       1.838000      441.1435      -90.0  
1 1 1 0  37 14 o 33.04000       2.354000      773.8942      -90.0  
1 1 1 0  37 15 o 3.416000       1.770000      28.80477      90.0   
1 1 1 0  37 16 o 8.888000       2.532000      112.7236      90.0   
1 1 1 0  37 18 o 0.6025000      2.716000      118.8642      90.0   
1 1 1 0  37 19 o 17.02000       2.096000      676.9583      90.0   
1 1 1 0  37 20 o 23.15000       2.238000      680.5601      -90.0  
1 1 1 0  37 21 o 16.03000       2.132000      565.5664      90.0   
1 1 1 0  37 22 o 3.752000       1.927000      39.98904      90.0   
1 1 1 0  37 23 o 3.357000       1.907000      170.4509      90.0   
1 1 1 0  37 24 o 52.95000       3.150000      1055.474      90.0   
1 1 1 0  37 25 o 10.04000       2.124000      525.0325      90.0   
1 1 1 0  37 26 o 2.058000       2.009000      99.75050      -90.0  
1 1 1 0  37 27 o 17.44000       2.263000      506.9805      -90.0  
1 1 1 0  37 28 o 13.29000       2.228000      522.5381      90.0   
1 1 1 0  37 29 o 9.145000       2.169000      421.9493      -90.0  
1 1 1 0  37 30 o 6.828000       1.009000      273.8295      -90.0  
1 1 1 0  37 31 o 23.60000       1.495000      731.8586      90.0   
1 1 1 0  37 32 o -0.1136000     0.9956000     3.558848      -90.0  
1 1 1 0  37 33 o 0.9627000      1.172000      3.341713      90.0   
1 1 1 0  37 34 o 17.80000       1.540000      540.7006      -90.0  
1 1 1 0  37 35 o 8.088000       1.664000      520.0008      90.0   
1 1 1 0  37 36 o 1.285000       1.784000      137.1888      -90.0  
1 1 1 0  37 37 o 8.267000       1.428000      287.2297      -90.0  
1 1 1 0  37 38 o 16.01000       1.877000      352.3804      -90.0  
1 1 1 0  37 39 o 2.161000       2.656000      210.4706      -90.0  
1 1 1 0  37 40 o -0.4154000     1.868000      33.16870      90.0   
1 1 1 0  37 41 o 7.186000       1.612000      217.6353      90.0   
1 1 1 0  37 42 o 16.87000       1.797000      478.8671      90.0   
1 1 1 0  37 43 o 13.69000       1.759000      515.1243      90.0   
1 1 1 0  37 44 f 10.89000       1.694000      404.7080      90.0   
1 1 1 0  37 45 o 26.49000       1.935000      689.3362      90.0   
1 1 1 0  37 46 o 14.18000       1.754000      ?             ?      
1 1 1 0  37 47 o 5.153000       1.653000      ?             ?      
1 1 1 0  37 48 o 1.195000       1.756000      ?             ?      
1 1 1 0  37 49 o -2.492000      1.783000      ?             ?      
1 1 1 0  37 50 o 0.7746000      1.669000      ?             ?      
1 1 1 0  37 51 o 3.676000       1.665000      ?             ?      
1 1 1 0  37 52 o -0.5360000     1.596000      ?             ?      
1 1 1 0  37 53 o 3.860000       1.630000      ?             ?      
1 1 1 0  37 54 o -0.1544000     1.779000      ?             ?      
1 1 1 0  37 55 o 2.719000       4.077000      ?             ?      
1 1 1 0  37 56 o -2.588000      2.015000      ?             ?      
1 1 1 0  37 57 o 3.151000       1.816000      ?             ?      
1 1 1 0  37 58 o -2.539000      1.814000      ?             ?      
1 1 1 0  37 59 o 1.504000       1.857000      ?             ?      
1 1 1 0  37 60 o -3.149000      1.706000      ?             ?      
1 1 1 0  37 61 o 0.5391000      1.751000      ?             ?      
1 1 1 0  37 62 o 7.571000       1.992000      ?             ?      
1 1 1 0  37 63 o 0.2094000E-01  1.959000      ?             ?      
1 1 1 0  37 64 o -0.7858000     1.804000      ?             ?      
1 1 1 0  38 1  o 3.817000       1.533000      451.2624      -0.0   
1 1 1 0  38 2  o 2.313000       1.047000      152.7086      180.0  
1 1 1 0  38 3  o 3.979000       1.020000      238.7575      -180.0 
1 1 1 0  38 4  o 0.4460000      0.9859000     22.21572      180.0  
1 1 1 0  38 5  o 9.166000       1.057000      167.1526      -0.0   
1 1 1 0  38 6  o 15.11000       1.109000      616.2297      180.0  
1 1 1 0  38 7  o 61.41000       2.087000      1265.614      0.0    
1 1 1 0  38 8  o 0.3812000      0.8387000     65.68549      0.0    
1 1 1 0  38 9  o 17.50000       0.9990000     704.1727      -180.0 
1 1 1 0  38 10 o 131.2000       3.864000      1433.348      180.0  
1 1 1 0  38 11 o 43.27000       2.638000      794.3431      -180.0 
1 1 1 0  38 12 o 3.346000       1.707000      232.6268      0.0    
1 1 1 0  38 13 o 1.036000       1.701000      122.1038      -0.0   
1 1 1 0  38 14 o 8.288000       1.798000      436.6153      180.0  
1 1 1 0  38 15 o 3.909000       1.789000      417.6194      0.0    
1 1 1 0  38 16 o 4.274000       2.517000      403.8871      0.0    
1 1 1 0  38 19 o 43.96000       2.848000      596.4133      180.0  
1 1 1 0  38 20 o 3.646000       1.928000      135.2498      180.0  
1 1 1 0  38 21 o 2.564000       1.921000      106.9607      0.0    
1 1 1 0  38 22 o 18.71000       2.179000      507.6446      180.0  
1 1 1 0  38 23 o 35.71000       2.617000      1023.443      180.0  
1 1 1 0  38 24 o -0.6645000     1.952000      16.00084      180.0  
1 1 1 0  38 25 o 55.96000       3.339000      1165.666      -0.0   
1 1 1 0  38 26 o 3.466000       2.058000      248.8576      180.0  
1 1 1 0  38 27 o 13.83000       2.240000      543.2224      180.0  
1 1 1 0  38 28 o 13.66000       2.283000      454.2110      0.0    
1 1 1 0  38 29 o 6.198000       2.181000      78.55344      180.0  
1 1 1 0  38 30 o 2.019000       2.111000      11.65380      0.0    
1 1 1 0  38 31 o 7.831000       1.015000      507.1291      180.0  
1 1 1 0  38 32 o -1.319000      0.8822000     183.3151      180.0  
1 1 1 0  38 33 o 2.854000       1.969000      316.3589      -0.0   
1 1 1 0  38 34 o 12.20000       1.893000      551.6363      0.0    
1 1 1 0  38 35 o 1.738000       1.275000      2.362970      0.0    
1 1 1 0  38 36 o 0.3005000E-01  1.561000      143.6717      180.0  
1 1 1 0  38 37 o 21.86000       1.906000      713.3825      -0.0   
1 1 1 0  38 38 o 15.34000       1.528000      463.5565      180.0  
1 1 1 0  38 39 o 2.858000       1.436000      250.6157      0.0    
1 1 1 0  38 40 o 9.673000       2.971000      468.3791      180.0  
1 1 1 0  38 41 o 19.87000       2.151000      672.8289      180.0  
1 1 1 0  38 42 o -2.366000      1.584000      17.94796      180.0  
1 1 1 0  38 43 o 3.432000       1.642000      198.4975      -0.0   
1 1 1 0  38 44 o 1.793000       1.632000      186.1531      0.0    
1 1 1 0  38 45 o 0.4624000      1.607000      ?             ?      
1 1 1 0  38 46 o 2.123000       1.948000      ?             ?      
1 1 1 0  38 47 o 5.277000       1.739000      ?             ?      
1 1 1 0  38 48 o 0.7483000      1.891000      ?             ?      
1 1 1 0  38 49 f 9.951000       1.824000      ?             ?      
1 1 1 0  38 50 o -0.7019000     1.567000      ?             ?      
1 1 1 0  38 51 o -1.628000      1.561000      ?             ?      
1 1 1 0  38 52 o -1.158000      1.600000      ?             ?      
1 1 1 0  38 53 o 5.222000       1.595000      ?             ?      
1 1 1 0  38 54 o -0.6672000     1.569000      ?             ?      
1 1 1 0  38 55 o 2.280000       1.955000      ?             ?      
1 1 1 0  38 56 o 3.052000       2.872000      ?             ?      
1 1 1 0  38 57 o -1.001000      2.318000      ?             ?      
1 1 1 0  38 58 o 0.9035000      1.806000      ?             ?      
1 1 1 0  38 59 o 0.7481000      1.849000      ?             ?      
1 1 1 0  38 60 o -1.165000      1.861000      ?             ?      
1 1 1 0  38 61 o 1.815000       1.914000      ?             ?      
1 1 1 0  38 62 o 2.458000       2.197000      ?             ?      
1 1 1 0  38 63 o 0.6889000      1.931000      ?             ?      
1 1 1 0  39 1  o -0.4757000     1.245000      179.9791      90.0   
1 1 1 0  39 2  o 21.76000       1.286000      446.3706      90.0   
1 1 1 0  39 3  o 10.82000       1.087000      473.5950      -90.0  
1 1 1 0  39 4  o 3.394000       1.003000      99.89314      -90.0  
1 1 1 0  39 5  o 8.521000       1.065000      479.6510      -90.0  
1 1 1 0  39 6  o 32.61000       1.450000      830.2427      -90.0  
1 1 1 0  39 8  o 5.209000       0.8429000     240.2417      90.0   
1 1 1 0  39 9  o 66.95000       2.177000      1164.178      -90.0  
1 1 1 0  39 10 o 20.24000       0.9768000     1010.916      -90.0  
1 1 1 0  39 11 o 4.810000       1.725000      452.0559      -90.0  
1 1 1 0  39 12 o 0.2574000      1.671000      383.2609      -90.0  
1 1 1 0  39 13 o 2.082000       1.686000      150.5018      -90.0  
1 1 1 0  39 14 o -0.3044000E-02 1.693000      202.4340      -90.0  
1 1 1 0  39 15 o 2.950000       2.508000      324.8962      90.0   
1 1 1 0  39 17 o 6.174000       2.780000      329.3926      -90.0  
1 1 1 0  39 18 o 5.944000       1.923000      17.74206      90.0   
1 1 1 0  39 19 o -0.6627000     1.883000      48.38379      -90.0  
1 1 1 0  39 20 o 5.581000       1.944000      271.7912      -90.0  
1 1 1 0  39 21 o 28.23000       2.430000      996.1352      90.0   
1 1 1 0  39 22 o 26.38000       2.385000      725.5450      -90.0  
1 1 1 0  39 23 o 3.222000       1.949000      147.5842      90.0   
1 1 1 0  39 24 o 24.65000       2.380000      898.7677      90.0   
1 1 1 0  39 25 o 60.90000       3.505000      1171.120      -90.0  
1 1 1 0  39 26 o 5.746000       2.118000      202.3918      90.0   
1 1 1 0  39 27 o 8.757000       2.208000      430.3456      90.0   
1 1 1 0  39 28 o 18.67000       2.473000      712.7408      -90.0  
1 1 1 0  39 29 o 12.90000       2.355000      501.0074      -90.0  
1 1 1 0  39 30 o 3.878000       2.235000      197.7006      90.0   
1 1 1 0  39 31 o 19.64000       2.566000      674.0733      90.0   
1 1 1 0  39 32 o 9.894000       3.533000      424.4846      90.0   
1 1 1 0  39 33 o 18.93000       1.676000      521.2504      -90.0  
1 1 1 0  39 34 o 1.078000       1.318000      178.3486      -90.0  
1 1 1 0  39 35 o 3.324000       1.127000      9.570588      90.0   
1 1 1 0  39 36 o 5.427000       1.237000      195.0006      90.0   
1 1 1 0  39 37 o -1.064000      1.286000      257.9333      -90.0  
1 1 1 0  39 38 o 7.426000       1.385000      376.5854      90.0   
1 1 1 0  39 39 o 3.266000       1.399000      241.8711      -90.0  
1 1 1 0  39 40 o 1.651000       1.413000      409.0199      90.0   
1 1 1 0  39 41 o 9.532000       3.042000      520.1600      90.0   
1 1 1 0  39 42 o 4.758000       1.898000      196.8259      90.0   
1 1 1 0  39 43 o 15.58000       1.671000      600.8317      90.0   
1 1 1 0  39 44 o 0.7818000      1.555000      ?             ?      
1 1 1 0  39 45 o -3.222000      1.543000      ?             ?      
1 1 1 0  39 46 o 12.75000       1.673000      ?             ?      
1 1 1 0  39 47 o 10.24000       1.754000      ?             ?      
1 1 1 0  39 48 o -1.548000      1.639000      ?             ?      
1 1 1 0  39 49 o 1.048000       1.525000      ?             ?      
1 1 1 0  39 50 o 1.658000       1.519000      ?             ?      
1 1 1 0  39 51 o -0.3598000     1.537000      ?             ?      
1 1 1 0  39 52 o 3.797000       1.592000      ?             ?      
1 1 1 0  39 53 o 4.829000       1.621000      ?             ?      
1 1 1 0  39 54 f 0.1816000      1.597000      ?             ?      
1 1 1 0  39 55 o 3.068000       1.613000      ?             ?      
1 1 1 0  39 56 o 5.712000       1.992000      ?             ?      
1 1 1 0  39 57 o 0.1329000      2.838000      ?             ?      
1 1 1 0  39 58 o -0.6883000     2.018000      ?             ?      
1 1 1 0  39 59 o 0.3312000      1.683000      ?             ?      
1 1 1 0  39 60 o -0.1116000     2.080000      ?             ?      
1 1 1 0  39 61 o 7.253000       2.210000      ?             ?      
1 1 1 0  39 62 o 0.2470000      1.923000      ?             ?      
1 1 1 0  39 63 o 2.144000       2.200000      ?             ?      
1 1 1 0  40 0  o 50.44000       3.759000      988.2552      -180.0 
1 1 1 0  40 1  o 2.763000       1.501000      4.200706      -180.0 
1 1 1 0  40 2  o 36.04000       1.572000      841.7545      180.0  
1 1 1 0  40 3  o 30.70000       1.445000      853.9806      -0.0   
1 1 1 0  40 4  o 6.262000       1.043000      344.3513      180.0  
1 1 1 0  40 5  o 12.35000       1.114000      275.8534      -0.0   
1 1 1 0  40 6  o -2.272000      0.9741000     96.88709      0.0    
1 1 1 0  40 7  o 136.3000       4.046000      1871.716      -0.0   
1 1 1 0  40 8  o 10.36000       0.8964000     477.1448      180.0  
1 1 1 0  40 9  o 7.974000       0.8303000     437.4831      -0.0   
1 1 1 0  40 10 o 0.9262000      0.9402000     134.9233      180.0  
1 1 1 0  40 11 o 44.99000       1.928000      1143.529      -0.0   
1 1 1 0  40 12 o 36.28000       2.440000      849.4910      180.0  
1 1 1 0  40 13 o 3.590000       1.742000      63.59539      -180.0 
1 1 1 0  40 14 o 24.94000       2.202000      680.5790      0.0    
1 1 1 0  40 15 o 19.64000       2.988000      512.9213      -0.0   
1 1 1 0  40 17 o 2.041000       1.929000      11.58756      0.0    
1 1 1 0  40 18 o 1.647000       1.869000      47.34990      180.0  
1 1 1 0  40 19 o 0.3561000      1.872000      4.976667      0.0    
1 1 1 0  40 20 o 9.629000       2.009000      444.4955      180.0  
1 1 1 0  40 21 o 6.553000       1.973000      401.5473      -0.0   
1 1 1 0  40 22 o 4.700000       1.982000      425.7983      180.0  
1 1 1 0  40 23 o 12.35000       2.135000      594.8619      180.0  
1 1 1 0  40 24 o 10.70000       2.099000      578.7668      0.0    
1 1 1 0  40 25 o 1.534000       2.057000      52.19632      0.0    
1 1 1 0  40 26 o 0.3596000E-02  2.091000      39.65605      180.0  
1 1 1 0  40 27 o -3.507000      2.166000      57.13886      -0.0   
1 1 1 0  40 28 o -0.5103000     2.284000      150.9120      180.0  
1 1 1 0  40 29 o 6.036000       2.370000      246.0569      180.0  
1 1 1 0  40 30 o 8.094000       2.439000      272.4415      180.0  
1 1 1 0  40 31 o 4.150000       3.395000      333.1468      -180.0 
1 1 1 0  40 33 o 0.6381000E-01  3.856000      211.4729      0.0    
1 1 1 0  40 34 o 35.18000       1.959000      1001.466      0.0    
1 1 1 0  40 35 o 2.643000       0.9032000     269.6179      180.0  
1 1 1 0  40 36 o 20.75000       1.761000      774.4570      0.0    
1 1 1 0  40 37 o 15.28000       1.688000      482.2778      180.0  
1 1 1 0  40 38 o 1.704000       1.256000      172.1519      0.0    
1 1 1 0  40 39 o 2.555000       1.297000      522.9996      180.0  
1 1 1 0  40 40 o 3.493000       1.348000      309.0850      180.0  
1 1 1 0  40 41 o 23.07000       2.062000      687.7404      -0.0   
1 1 1 0  40 42 o 16.48000       3.192000      ?             ?      
1 1 1 0  40 43 o 2.304000       1.792000      ?             ?      
1 1 1 0  40 44 o 11.30000       1.585000      ?             ?      
1 1 1 0  40 45 o 3.163000       1.485000      ?             ?      
1 1 1 0  40 46 o 0.4081000      1.582000      ?             ?      
1 1 1 0  40 47 o 6.627000       1.821000      ?             ?      
1 1 1 0  40 48 o 1.373000       1.606000      ?             ?      
1 1 1 0  40 49 o 7.185000       1.558000      ?             ?      
1 1 1 0  40 50 o 13.52000       1.656000      ?             ?      
1 1 1 0  40 51 o 14.95000       1.675000      ?             ?      
1 1 1 0  40 52 o -2.690000      1.508000      ?             ?      
1 1 1 0  40 53 o 21.03000       1.835000      ?             ?      
1 1 1 0  40 54 o -0.3138000     1.567000      ?             ?      
1 1 1 0  40 55 o 17.63000       1.796000      ?             ?      
1 1 1 0  40 56 o 0.6058000      1.629000      ?             ?      
1 1 1 0  40 57 o 5.493000       2.892000      ?             ?      
1 1 1 0  40 58 o -2.849000      2.858000      ?             ?      
1 1 1 0  40 59 o 10.27000       1.795000      ?             ?      
1 1 1 0  40 60 o 0.3283000      1.860000      ?             ?      
1 1 1 0  40 61 o 2.763000       1.916000      ?             ?      
1 1 1 0  40 62 o 0.3428000      1.751000      ?             ?      
1 1 1 0  41 1  o -1.456000      1.485000      59.06172      -90.0  
1 1 1 0  41 2  o 24.54000       1.554000      696.0511      90.0   
1 1 1 0  41 3  o 1.902000       1.037000      64.81911      -90.0  
1 1 1 0  41 4  o 20.24000       1.238000      583.0350      90.0   
1 1 1 0  41 5  o 8.445000       1.067000      545.9570      90.0   
1 1 1 0  41 6  o 34.08000       1.468000      914.8940      90.0   
1 1 1 0  41 7  o 9.786000       1.012000      576.8256      90.0   
1 1 1 0  41 8  o 36.41000       1.434000      896.9594      90.0   
1 1 1 0  41 9  o 2.187000       0.7968000     29.12514      -90.0  
1 1 1 0  41 10 o 0.2647000      0.6692000     56.38744      -90.0  
1 1 1 0  41 11 o 4.159000       0.8151000     320.4934      90.0   
1 1 1 0  41 12 o 11.40000       1.886000      473.2293      90.0   
1 1 1 0  41 13 o 3.203000       1.808000      208.1439      -90.0  
1 1 1 0  41 16 o -2.606000      2.879000      117.7039      -90.0  
1 1 1 0  41 17 o 0.9363000      1.929000      178.7006      -90.0  
1 1 1 0  41 18 o 11.40000       2.031000      336.1165      90.0   
1 1 1 0  41 19 o 1.344000       1.928000      237.0463      90.0   
1 1 1 0  41 20 o -2.550000      1.916000      111.8164      -90.0  
1 1 1 0  41 21 o 1.463000       1.986000      106.8723      90.0   
1 1 1 0  41 22 o 5.417000       2.038000      137.4223      -90.0  
1 1 1 0  41 23 o 3.731000       2.055000      426.1000      90.0   
1 1 1 0  41 24 o 14.12000       2.250000      570.0105      -90.0  
1 1 1 0  41 25 o 4.326000       2.135000      294.4442      90.0   
1 1 1 0  41 26 o 2.018000       2.202000      325.6639      90.0   
1 1 1 0  41 27 o 42.33000       3.158000      766.5025      -90.0  
1 1 1 0  41 28 o 7.627000       2.427000      452.3277      -90.0  
1 1 1 0  41 29 o 9.126000       2.462000      343.7521      -90.0  
1 1 1 0  41 30 o 4.129000       2.490000      238.4451      90.0   
1 1 1 0  41 31 o 22.67000       4.375000      752.0037      -90.0  
1 1 1 0  41 32 o 16.75000       4.127000      470.7317      -90.0  
1 1 1 0  41 33 o 26.05000       3.140000      822.4484      90.0   
1 1 1 0  41 34 o -2.155000      0.9443000     242.0595      90.0   
1 1 1 0  41 35 o 20.70000       1.468000      796.6400      90.0   
1 1 1 0  41 36 o 21.18000       1.741000      442.6095      90.0   
1 1 1 0  41 37 o 1.631000       1.012000      106.7684      -90.0  
1 1 1 0  41 38 o 2.150000       1.098000      278.9200      -90.0  
1 1 1 0  41 39 o 7.180000       1.251000      458.8655      -90.0  
1 1 1 0  41 40 o 16.86000       1.495000      533.5800      90.0   
1 1 1 0  41 41 o 1.796000       1.322000      ?             ?      
1 1 1 0  41 42 o -1.341000      1.668000      ?             ?      
1 1 1 0  41 43 o 10.32000       3.123000      ?             ?      
1 1 1 0  41 44 o -3.175000      1.714000      ?             ?      
1 1 1 0  41 45 o 4.818000       1.427000      ?             ?      
1 1 1 0  41 46 o 22.59000       1.827000      ?             ?      
1 1 1 0  41 47 o 1.006000       1.558000      ?             ?      
1 1 1 0  41 48 o 0.1383000      1.434000      ?             ?      
1 1 1 0  41 49 o 3.735000       1.484000      ?             ?      
1 1 1 0  41 50 o 2.217000       1.488000      ?             ?      
1 1 1 0  41 51 o 6.201000       1.540000      ?             ?      
1 1 1 0  41 52 o 3.675000       1.539000      ?             ?      
1 1 1 0  41 53 o 8.326000       1.631000      ?             ?      
1 1 1 0  41 54 o 3.840000       1.558000      ?             ?      
1 1 1 0  41 55 o 1.804000       1.542000      ?             ?      
1 1 1 0  41 56 o -0.3933000     1.558000      ?             ?      
1 1 1 0  41 57 o 1.489000       1.650000      ?             ?      
1 1 1 0  41 58 o 4.670000       2.970000      ?             ?      
1 1 1 0  41 59 o 9.957000       2.498000      ?             ?      
1 1 1 0  41 60 o 3.562000       2.067000      ?             ?      
1 1 1 0  41 61 o -1.779000      1.878000      ?             ?      
1 1 1 0  42 0  o 92.94000       4.197000      1283.341      -180.0 
1 1 1 0  42 1  o 0.8217000      1.512000      282.0216      -180.0 
1 1 1 0  42 2  o 0.1565000      1.214000      205.4844      0.0    
1 1 1 0  42 3  o 5.364000       1.052000      450.1817      180.0  
1 1 1 0  42 4  o 0.7664000      1.024000      90.60201      180.0  
1 1 1 0  42 5  o 5.138000       1.022000      361.8609      180.0  
1 1 1 0  42 6  o 6.965000       1.007000      410.5842      0.0    
1 1 1 0  42 7  o 4.280000       0.9543000     151.3388      0.0    
1 1 1 0  42 8  o 4.945000       0.8890000     249.3824      180.0  
1 1 1 0  42 9  o 25.70000       1.200000      932.0094      -0.0   
1 1 1 0  42 10 o 1.969000       0.6855000     8.129726      0.0    
1 1 1 0  42 11 o 24.84000       1.324000      691.1636      -180.0 
1 1 1 0  42 12 o 16.25000       2.022000      594.9634      180.0  
1 1 1 0  42 13 o 20.77000       2.186000      320.6595      180.0  
1 1 1 0  42 14 o 26.12000       3.452000      893.6353      0.0    
1 1 1 0  42 16 o 5.436000       2.110000      418.3512      0.0    
1 1 1 0  42 17 o 49.33000       3.103000      1100.969      180.0  
1 1 1 0  42 18 o -0.2012000     1.997000      92.13195      180.0  
1 1 1 0  42 19 o 0.1496000      2.000000      36.91267      -180.0 
1 1 1 0  42 20 o 8.861000       2.096000      404.8174      180.0  
1 1 1 0  42 21 f 15.05000       2.251000      628.0134      -0.0   
1 1 1 0  42 22 o 6.535000       2.087000      303.0853      180.0  
1 1 1 0  42 23 o 0.5137000      2.065000      364.6489      -180.0 
1 1 1 0  42 24 o 16.53000       2.312000      428.1280      180.0  
1 1 1 0  42 25 o -0.8241000     2.168000      301.3073      0.0    
1 1 1 0  42 26 o 19.20000       2.564000      601.1600      0.0    
1 1 1 0  42 27 o 8.135000       2.420000      496.0471      180.0  
1 1 1 0  42 28 o 5.144000       2.403000      361.3765      0.0    
1 1 1 0  42 29 o -0.9673000     2.398000      54.31907      180.0  
1 1 1 0  42 30 o 23.37000       4.014000      641.7670      0.0    
1 1 1 0  42 32 o 0.8201000E-01  3.951000      272.4754      0.0    
1 1 1 0  42 33 o 7.561000       2.879000      364.5676      180.0  
1 1 1 0  42 34 o 12.48000       2.994000      459.0925      180.0  
1 1 1 0  42 35 o 7.339000       2.942000      505.8542      -0.0   
1 1 1 0  42 36 o 3.495000       1.109000      153.3674      0.0    
1 1 1 0  42 37 o 12.80000       1.516000      614.5406      180.0  
1 1 1 0  42 38 o 2.795000       0.9714000     308.3573      0.0    
1 1 1 0  42 39 o 13.71000       1.640000      598.4072      180.0  
1 1 1 0  42 40 o 34.02000       2.146000      ?             ?      
1 1 1 0  42 41 o 7.294000       1.255000      ?             ?      
1 1 1 0  42 42 o -1.037000      1.247000      ?             ?      
1 1 1 0  42 43 o 2.249000       1.620000      ?             ?      
1 1 1 0  42 44 o -2.362000      2.886000      ?             ?      
1 1 1 0  42 45 o -2.320000      1.814000      ?             ?      
1 1 1 0  42 46 o 1.919000       1.528000      ?             ?      
1 1 1 0  42 47 o -0.5749000     1.432000      ?             ?      
1 1 1 0  42 48 o 0.2667000      1.372000      ?             ?      
1 1 1 0  42 49 o 1.461000       1.403000      ?             ?      
1 1 1 0  42 50 o 4.905000       1.460000      ?             ?      
1 1 1 0  42 51 o 1.114000       1.451000      ?             ?      
1 1 1 0  42 52 o -1.106000      1.475000      ?             ?      
1 1 1 0  42 53 o 2.542000       1.505000      ?             ?      
1 1 1 0  42 54 o 0.6331000      1.507000      ?             ?      
1 1 1 0  42 55 o -0.1038000     1.536000      ?             ?      
1 1 1 0  42 56 o 1.580000       1.577000      ?             ?      
1 1 1 0  42 57 o 1.404000       1.591000      ?             ?      
1 1 1 0  42 58 o 1.180000       2.037000      ?             ?      
1 1 1 0  42 59 o 2.652000       4.089000      ?             ?      
1 1 1 0  42 60 o 0.6339000      2.287000      ?             ?      
1 1 1 0  43 1  o 0.6470000      1.218000      215.4702      -90.0  
1 1 1 0  43 2  o 3.870000       1.598000      299.3304      90.0   
1 1 1 0  43 3  o 1.075000       1.049000      128.3132      -90.0  
1 1 1 0  43 4  o 0.4785000      1.033000      137.6226      90.0   
1 1 1 0  43 5  o -1.643000      1.012000      1.291252      90.0   
1 1 1 0  43 6  o 3.394000       0.9996000     207.0988      -90.0  
1 1 1 0  43 7  o 9.839000       1.035000      747.5429      90.0   
1 1 1 0  43 8  o 0.3526000      0.8872000     80.37936      90.0   
1 1 1 0  43 9  o 2.590000       0.8581000     557.1820      -90.0  
1 1 1 0  43 10 o 6.674000       0.7315000     416.0431      90.0   
1 1 1 0  43 11 o 0.3595000E-03  0.5962000     106.3915      -90.0  
1 1 1 0  43 12 o 6.528000       1.899000      372.8792      90.0   
1 1 1 0  43 13 o 19.59000       2.299000      597.1174      90.0   
1 1 1 0  43 15 o -0.2761000     2.891000      290.0604      90.0   
1 1 1 0  43 16 o 53.36000       3.257000      1014.556      -90.0  
1 1 1 0  43 17 o 1.853000       2.040000      165.5351      90.0   
1 1 1 0  43 18 o 1.589000       2.081000      45.96811      90.0   
1 1 1 0  43 19 o 0.6480000      2.074000      11.35601      90.0   
1 1 1 0  43 20 o 3.346000       2.124000      99.64461      -90.0  
1 1 1 0  43 21 o 0.9345000      2.080000      224.2490      90.0   
1 1 1 0  43 22 o 8.344000       2.185000      289.0341      -90.0  
1 1 1 0  43 23 o 10.72000       2.257000      471.9009      -90.0  
1 1 1 0  43 24 o 10.00000       2.330000      606.8114      90.0   
1 1 1 0  43 25 o 57.36000       3.581000      1360.214      90.0   
1 1 1 0  43 26 o 4.149000       2.356000      386.5258      90.0   
1 1 1 0  43 27 o 0.4190000      2.333000      67.48331      -90.0  
1 1 1 0  43 28 o -0.8947000     2.407000      154.4916      -90.0  
1 1 1 0  43 29 o -0.6892000     2.508000      153.6417      90.0   
1 1 1 0  43 30 o 8.126000       4.048000      544.5070      -90.0  
1 1 1 0  43 31 o 0.7477000      4.017000      168.3789      -90.0  
1 1 1 0  43 32 o -3.060000      2.778000      50.59029      90.0   
1 1 1 0  43 33 o 18.37000       3.081000      734.7114      90.0   
1 1 1 0  43 34 o 3.132000       2.881000      217.6419      -90.0  
1 1 1 0  43 35 o 5.173000       2.896000      196.5515      90.0   
1 1 1 0  43 36 o -3.646000      2.812000      173.6145      90.0   
1 1 1 0  43 37 o 6.356000       2.915000      342.8962      90.0   
1 1 1 0  43 38 o 4.380000       0.8736000     ?             ?      
1 1 1 0  43 39 o 11.09000       1.453000      ?             ?      
1 1 1 0  43 40 o 1.423000       1.006000      ?             ?      
1 1 1 0  43 41 o 1.649000       1.093000      ?             ?      
1 1 1 0  43 42 o 23.23000       1.927000      ?             ?      
1 1 1 0  43 43 o 3.533000       1.216000      ?             ?      
1 1 1 0  43 44 o 0.5716000      1.560000      ?             ?      
1 1 1 0  43 45 o 8.839000       4.039000      ?             ?      
1 1 1 0  43 46 o 1.594000       1.909000      ?             ?      
1 1 1 0  43 47 o 0.9216000      1.306000      ?             ?      
1 1 1 0  43 48 o 2.813000       1.335000      ?             ?      
1 1 1 0  43 49 f 4.987000       1.397000      ?             ?      
1 1 1 0  43 50 o 1.845000       1.380000      ?             ?      
1 1 1 0  43 51 f 8.139000       1.478000      ?             ?      
1 1 1 0  43 52 o -0.5997000     1.405000      ?             ?      
1 1 1 0  43 53 o -0.7186000E-02 1.430000      ?             ?      
1 1 1 0  43 54 o -1.383000      1.464000      ?             ?      
1 1 1 0  43 55 o 1.729000       1.519000      ?             ?      
1 1 1 0  43 56 o 0.4048000      1.550000      ?             ?      
1 1 1 0  43 57 o 2.707000       1.608000      ?             ?      
1 1 1 0  43 58 o 3.528000       1.776000      ?             ?      
1 1 1 0  43 59 o 1.813000       2.907000      ?             ?      
1 1 1 0  44 0  o 26.27000       1.959000      454.7348      -180.0 
1 1 1 0  44 1  o 1.412000       1.231000      248.9986      -0.0   
1 1 1 0  44 2  o 6.476000       1.621000      280.9713      0.0    
1 1 1 0  44 3  o 14.88000       1.399000      654.5737      180.0  
1 1 1 0  44 4  o 43.98000       1.759000      1107.955      0.0    
1 1 1 0  44 5  o 3.773000       1.072000      277.2237      0.0    
1 1 1 0  44 6  o 38.87000       1.615000      917.4576      0.0    
1 1 1 0  44 7  o 5.133000       0.9921000     612.8481      180.0  
1 1 1 0  44 8  o 3.167000       0.9007000     373.9907      180.0  
1 1 1 0  44 9  o 10.18000       0.9430000     337.8555      180.0  
1 1 1 0  44 10 o 0.1531000E-01  0.6927000     69.49333      180.0  
1 1 1 0  44 11 o 16.39000       0.9125000     700.6151      180.0  
1 1 1 0  44 12 o 0.5073000      1.860000      267.1818      0.0    
1 1 1 0  44 13 o -0.6748000     2.773000      25.56145      0.0    
1 1 1 0  44 15 o -2.452000      2.973000      91.61250      0.0    
1 1 1 0  44 16 o -0.5754000     2.106000      438.3444      0.0    
1 1 1 0  44 17 o 2.390000       2.101000      37.52329      180.0  
1 1 1 0  44 18 o 7.691000       2.188000      305.9760      180.0  
1 1 1 0  44 19 o 27.36000       2.639000      843.4255      -0.0   
1 1 1 0  44 20 o 3.101000       2.195000      125.1444      0.0    
1 1 1 0  44 21 o -0.8463000E-01 2.144000      116.7264      -0.0   
1 1 1 0  44 22 o -3.765000      2.167000      98.90688      0.0    
1 1 1 0  44 23 o 85.84000       4.477000      1539.881      180.0  
1 1 1 0  44 24 o 12.23000       2.436000      716.7560      180.0  
1 1 1 0  44 25 o 5.598000       2.393000      289.1558      -180.0 
1 1 1 0  44 26 o -0.2892000     2.469000      94.18737      180.0  
1 1 1 0  44 27 o 10.53000       2.683000      392.7700      180.0  
1 1 1 0  44 28 o -1.657000      2.573000      125.0653      180.0  
1 1 1 0  44 29 o -3.646000      3.645000      164.6064      -180.0 
1 1 1 0  44 31 o -0.8865000     3.967000      90.57008      180.0  
1 1 1 0  44 32 o 0.1557000      2.773000      215.1563      180.0  
1 1 1 0  44 33 o 15.25000       3.060000      481.2813      -0.0   
1 1 1 0  44 34 o 6.979000       2.929000      267.9008      180.0  
1 1 1 0  44 35 o 2.068000       2.876000      184.4385      -0.0   
1 1 1 0  44 36 o 25.03000       3.303000      840.4617      180.0  
1 1 1 0  44 37 o 2.534000       2.872000      ?             ?      
1 1 1 0  44 38 f 1.975000       2.875000      ?             ?      
1 1 1 0  44 39 o 3.587000       1.109000      ?             ?      
1 1 1 0  44 40 o -0.4292000     0.8397000     ?             ?      
1 1 1 0  44 41 o 4.631000       0.9339000     ?             ?      
1 1 1 0  44 42 o -0.7239000     1.008000      ?             ?      
1 1 1 0  44 43 o 0.2805000      1.072000      ?             ?      
1 1 1 0  44 44 o 0.8787000      1.161000      ?             ?      
1 1 1 0  44 45 o 0.5467000      1.290000      ?             ?      
1 1 1 0  44 46 o 1.084000       4.325000      ?             ?      
1 1 1 0  44 47 o -4.005000      1.664000      ?             ?      
1 1 1 0  44 48 o 7.882000       1.386000      ?             ?      
1 1 1 0  44 49 o 0.5521000      1.320000      ?             ?      
1 1 1 0  44 50 o 1.794000       1.333000      ?             ?      
1 1 1 0  44 51 o 0.9174000      1.350000      ?             ?      
1 1 1 0  44 52 o -1.080000      1.371000      ?             ?      
1 1 1 0  44 53 o 0.4413000      1.384000      ?             ?      
1 1 1 0  44 54 o 0.9970000      1.435000      ?             ?      
1 1 1 0  44 55 o 8.216000       1.564000      ?             ?      
1 1 1 0  44 56 o -1.947000      1.516000      ?             ?      
1 1 1 0  44 57 o -1.654000      1.557000      ?             ?      
1 1 1 0  44 58 o -1.394000      1.708000      ?             ?      
1 1 1 0  45 1  o 12.87000       1.190000      376.4200      -90.0  
1 1 1 0  45 2  o 11.11000       1.746000      501.5217      90.0   
1 1 1 0  45 3  o 0.7092000      1.256000      40.84944      -90.0  
1 1 1 0  45 4  o 9.707000       1.157000      462.7083      -90.0  
1 1 1 0  45 5  o 3.197000       1.069000      456.1539      -90.0  
1 1 1 0  45 6  o 1.883000       1.041000      39.66472      -90.0  
1 1 1 0  45 7  o -0.2980000     0.9822000     64.35325      -90.0  
1 1 1 0  45 8  o 5.408000       0.9553000     346.7631      -90.0  
1 1 1 0  45 9  f 12.26000       1.021000      812.8775      -90.0  
1 1 1 0  45 10 o 1.344000       0.7362000     193.8206      -90.0  
1 1 1 0  45 11 o 1.278000       0.7824000     6.100751      -90.0  
1 1 1 0  45 12 o 0.1647000      1.951000      226.7598      90.0   
1 1 1 0  45 14 o 11.07000       3.312000      457.2010      -90.0  
1 1 1 0  45 15 o 26.47000       2.612000      683.7018      90.0   
1 1 1 0  45 16 o 34.89000       2.869000      913.7132      -90.0  
1 1 1 0  45 17 o 63.57000       3.706000      1163.182      90.0   
1 1 1 0  45 18 o 4.113000       2.240000      285.5272      90.0   
1 1 1 0  45 19 o 4.628000       2.324000      240.9307      -90.0  
1 1 1 0  45 20 o 1.362000       2.255000      0.1853977     -90.0  
1 1 1 0  45 21 o -4.175000      2.299000      111.5595      90.0   
1 1 1 0  45 22 o 3.544000       2.351000      294.1613      -90.0  
1 1 1 0  45 23 f 14.50000       2.547000      393.2932      90.0   
1 1 1 0  45 24 o 30.28000       2.904000      821.8287      90.0   
1 1 1 0  45 25 o 2.310000       2.475000      306.0385      90.0   
1 1 1 0  45 26 o 24.56000       2.996000      635.7509      -90.0  
1 1 1 0  45 27 o 7.907000       2.787000      569.0655      -90.0  
1 1 1 0  45 28 o -1.016000      2.738000      130.4210      -90.0  
1 1 1 0  45 29 o 1.823000       3.995000      197.8695      -90.0  
1 1 1 0  45 30 o 1.301000       4.082000      186.7700      -90.0  
1 1 1 0  45 31 o 1.691000       2.768000      69.42528      -90.0  
1 1 1 0  45 32 o -2.883000      2.806000      12.02805      90.0   
1 1 1 0  45 33 o -1.099000      2.830000      80.27575      -90.0  
1 1 1 0  45 34 o 2.676000       2.809000      87.54804      -90.0  
1 1 1 0  45 35 o 0.7171000      2.858000      ?             ?      
1 1 1 0  45 36 o 10.92000       2.953000      ?             ?      
1 1 1 0  45 37 o 4.786000       2.867000      ?             ?      
1 1 1 0  45 38 o 2.982000       2.863000      ?             ?      
1 1 1 0  45 39 o 5.612000       2.911000      ?             ?      
1 1 1 0  45 40 o 0.7934000      2.861000      ?             ?      
1 1 1 0  45 41 o 1.861000       0.7933000     ?             ?      
1 1 1 0  45 42 o 5.555000       1.303000      ?             ?      
1 1 1 0  45 43 o 0.5855000      0.9354000     ?             ?      
1 1 1 0  45 44 o 9.457000       1.644000      ?             ?      
1 1 1 0  45 45 o -0.2983000     1.121000      ?             ?      
1 1 1 0  45 46 o -1.124000      1.083000      ?             ?      
1 1 1 0  45 47 o 1.413000       2.861000      ?             ?      
1 1 1 0  45 48 o 3.329000       1.741000      ?             ?      
1 1 1 0  45 49 o 0.8855000      1.281000      ?             ?      
1 1 1 0  45 50 o 0.2143000E-01  1.317000      ?             ?      
1 1 1 0  45 51 o 3.337000       1.355000      ?             ?      
1 1 1 0  45 52 o 0.4437000      1.366000      ?             ?      
1 1 1 0  45 53 o -1.312000      1.378000      ?             ?      
1 1 1 0  45 54 o -0.5961000     1.420000      ?             ?      
1 1 1 0  45 55 o 4.950000       1.525000      ?             ?      
1 1 1 0  45 56 o 2.093000       1.505000      ?             ?      
1 1 1 0  45 57 o 3.719000       1.657000      ?             ?      
1 1 1 0  46 0  o 4.515000       1.578000      55.59609      -0.0   
1 1 1 0  46 1  o 9.660000       1.161000      303.2327      180.0  
1 1 1 0  46 2  o 2.202000       1.336000      230.3418      0.0    
1 1 1 0  46 3  o 2.855000       1.695000      265.2992      -0.0   
1 1 1 0  46 4  o 1.093000       1.109000      198.1851      0.0    
1 1 1 0  46 5  o 7.487000       1.144000      357.5567      180.0  
1 1 1 0  46 6  o 13.77000       1.213000      440.9412      0.0    
1 1 1 0  46 7  o -1.195000      1.024000      154.7328      180.0  
1 1 1 0  46 8  o 0.1336000      0.9666000     10.55044      180.0  
1 1 1 0  46 9  o 0.8928000      0.9431000     10.23175      -0.0   
1 1 1 0  46 10 o 5.267000       0.8043000     316.8135      180.0  
1 1 1 0  46 11 o 3.121000       0.8243000     307.8658      180.0  
1 1 1 0  46 12 o 14.43000       2.930000      451.1432      0.0    
1 1 1 0  46 14 o 0.9443000      3.183000      155.6581      180.0  
1 1 1 0  46 15 o 28.20000       2.717000      882.3542      -0.0   
1 1 1 0  46 16 o 13.16000       2.446000      569.4672      180.0  
1 1 1 0  46 17 o 11.50000       2.404000      262.3712      -0.0   
1 1 1 0  46 18 o -1.924000      2.255000      5.769694      180.0  
1 1 1 0  46 19 o -2.794000      2.308000      181.7839      -180.0 
1 1 1 0  46 20 o 2.214000       2.322000      211.4241      180.0  
1 1 1 0  46 21 o 5.867000       2.429000      16.97737      180.0  
1 1 1 0  46 22 o 2.580000       2.481000      142.9510      0.0    
1 1 1 0  46 23 o 32.36000       3.099000      961.7121      180.0  
1 1 1 0  46 24 o 0.2409000      2.604000      219.6756      180.0  
1 1 1 0  46 25 o 10.07000       2.762000      474.2557      -0.0   
1 1 1 0  46 26 o 0.2835000      2.691000      49.63506      180.0  
1 1 1 0  46 27 o 7.476000       2.804000      339.1846      180.0  
1 1 1 0  46 28 o -0.4441000     3.798000      82.48433      180.0  
1 1 1 0  46 30 o 12.76000       4.396000      627.3907      180.0  
1 1 1 0  46 31 o -1.083000      2.771000      92.57722      -0.0   
1 1 1 0  46 32 o 1.433000       2.786000      181.8165      0.0    
1 1 1 0  46 33 o 11.50000       2.966000      ?             ?      
1 1 1 0  46 34 o 2.535000       2.852000      ?             ?      
1 1 1 0  46 35 o 6.064000       2.896000      ?             ?      
1 1 1 0  46 36 o 4.006000       2.839000      ?             ?      
1 1 1 0  46 37 o -1.570000      2.761000      ?             ?      
1 1 1 0  46 38 o 3.610000       2.827000      ?             ?      
1 1 1 0  46 39 o -2.267000      2.822000      ?             ?      
1 1 1 0  46 40 o 5.195000       2.845000      ?             ?      
1 1 1 0  46 41 o 0.6313000      0.8571000     ?             ?      
1 1 1 0  46 42 o -0.8845000     1.049000      ?             ?      
1 1 1 0  46 43 o -0.4414000     0.8288000     ?             ?      
1 1 1 0  46 44 o 0.2277000      0.9003000     ?             ?      
1 1 1 0  46 45 o -1.251000      0.9796000     ?             ?      
1 1 1 0  46 46 o -0.9063000E-01 1.059000      ?             ?      
1 1 1 0  46 47 o -0.7751000     1.063000      ?             ?      
1 1 1 0  46 48 o -4.532000      2.833000      ?             ?      
1 1 1 0  46 49 o 0.9653000E-01  2.863000      ?             ?      
1 1 1 0  46 50 o -0.4559000     1.271000      ?             ?      
1 1 1 0  46 51 o 1.702000       1.318000      ?             ?      
1 1 1 0  46 52 o 0.5946000      1.348000      ?             ?      
1 1 1 0  46 53 o 1.662000       1.473000      ?             ?      
1 1 1 0  46 54 o 1.295000       1.497000      ?             ?      
1 1 1 0  46 55 o 2.612000       1.445000      ?             ?      
1 1 1 0  46 56 o -0.8602000     1.460000      ?             ?      
1 1 1 0  47 1  o 3.609000       1.140000      234.5944      90.0   
1 1 1 0  47 2  o -1.273000      1.336000      177.6600      90.0   
1 1 1 0  47 3  o 4.572000       1.741000      340.9012      -90.0  
1 1 1 0  47 4  o 0.3719000      1.125000      68.24883      -90.0  
1 1 1 0  47 5  o -0.5598000     1.111000      89.98726      90.0   
1 1 1 0  47 6  o 3.315000       1.140000      239.5532      -90.0  
1 1 1 0  47 7  o 1.381000       1.078000      68.12817      -90.0  
1 1 1 0  47 8  o 10.01000       1.113000      354.2375      -90.0  
1 1 1 0  47 9  o 24.90000       1.546000      663.2967      -90.0  
1 1 1 0  47 10 o 1.899000       0.9328000     83.25598      90.0   
1 1 1 0  47 11 o 2.065000       0.7992000     241.6466      -90.0  
1 1 1 0  47 12 o 1.642000       2.979000      493.9005      90.0   
1 1 1 0  47 13 o 0.6246000      3.195000      134.7945      90.0   
1 1 1 0  47 14 o 13.69000       2.387000      513.1165      -90.0  
1 1 1 0  47 15 o -0.9898000     2.261000      160.7280      90.0   
1 1 1 0  47 16 o 0.8917000      2.357000      8.194118      90.0   
1 1 1 0  47 17 o 1.964000       2.381000      186.6452      -90.0  
1 1 1 0  47 18 o 4.888000       2.410000      23.55322      -90.0  
1 1 1 0  47 19 o 2.284000       2.429000      41.88244      90.0   
1 1 1 0  47 20 o -1.275000      2.426000      135.7865      90.0   
1 1 1 0  47 21 o 8.174000       2.624000      516.4436      90.0   
1 1 1 0  47 22 o 0.6418000      2.549000      136.5627      -90.0  
1 1 1 0  47 23 o 4.805000       2.650000      310.3966      90.0   
1 1 1 0  47 24 o 2.309000       2.697000      462.6368      -90.0  
1 1 1 0  47 25 o 5.353000       2.752000      223.0975      -90.0  
1 1 1 0  47 26 o 0.5673000      2.714000      290.8134      -90.0  
1 1 1 0  47 27 o 3.218000       2.842000      56.20521      90.0   
1 1 1 0  47 29 o 57.73000       5.973000      886.1711      -90.0  
1 1 1 0  47 30 o 6.358000       2.880000      373.2614      90.0   
1 1 1 0  47 31 o -0.1399000E-01 2.782000      ?             ?      
1 1 1 0  47 32 o 1.488000       2.822000      ?             ?      
1 1 1 0  47 33 o 4.781000       2.899000      ?             ?      
1 1 1 0  47 34 o 11.49000       2.987000      ?             ?      
1 1 1 0  47 35 o -0.3584000     2.783000      ?             ?      
1 1 1 0  47 36 o 5.094000       2.845000      ?             ?      
1 1 1 0  47 37 o -3.322000      2.736000      ?             ?      
1 1 1 0  47 38 o -3.122000      2.752000      ?             ?      
1 1 1 0  47 39 o 3.108000       2.781000      ?             ?      
1 1 1 0  47 40 o 1.276000       2.807000      ?             ?      
1 1 1 0  47 41 o 1.657000       2.824000      ?             ?      
1 1 1 0  47 42 o 4.138000       3.816000      ?             ?      
1 1 1 0  47 44 o 0.8351000      0.7961000     ?             ?      
1 1 1 0  47 45 f 0.6459000      0.8321000     ?             ?      
1 1 1 0  47 46 o 0.2821000      0.9078000     ?             ?      
1 1 1 0  47 47 o -0.3896000     1.021000      ?             ?      
1 1 1 0  47 48 o -0.9360000     1.095000      ?             ?      
1 1 1 0  47 49 o -0.2211000     1.558000      ?             ?      
1 1 1 0  47 50 o 2.532000       2.959000      ?             ?      
1 1 1 0  47 51 o -2.046000      1.331000      ?             ?      
1 1 1 0  47 52 o 0.3833000      1.360000      ?             ?      
1 1 1 0  47 53 o 0.1982000      1.419000      ?             ?      
1 1 1 0  47 54 o 1.899000       1.488000      ?             ?      
1 1 1 0  47 55 o 2.091000       1.566000      ?             ?      
1 1 1 0  48 0  o 36.68000       2.407000      815.8269      -180.0 
1 1 1 0  48 1  o 0.9959000      1.165000      117.9334      180.0  
1 1 1 0  48 2  o -0.4932000E-01 1.139000      28.19858      0.0    
1 1 1 0  48 3  o 13.36000       1.903000      399.9683      -0.0   
1 1 1 0  48 4  o -2.404000      1.309000      77.85414      180.0  
1 1 1 0  48 5  o 0.7655000      1.159000      177.5847      -0.0   
1 1 1 0  48 6  o 12.64000       1.511000      568.4046      0.0    
1 1 1 0  48 7  o 3.790000       1.343000      231.3753      0.0    
1 1 1 0  48 8  o 10.61000       1.331000      598.5850      180.0  
1 1 1 0  48 9  o 0.1798000      1.379000      25.84411      180.0  
1 1 1 0  48 10 o -1.287000      1.009000      19.22632      180.0  
1 1 1 0  48 11 o 1.833000       0.8291000     65.46856      -0.0   
1 1 1 0  48 13 o 0.8620000E-01  3.303000      227.3176      180.0  
1 1 1 0  48 14 o 14.59000       2.442000      399.2822      0.0    
1 1 1 0  48 15 o 17.54000       2.538000      524.3906      -0.0   
1 1 1 0  48 16 o 34.53000       3.034000      684.3276      180.0  
1 1 1 0  48 17 o 3.762000       2.483000      135.3841      180.0  
1 1 1 0  48 18 o 2.207000       2.523000      31.13555      180.0  
1 1 1 0  48 19 o 7.363000       2.569000      146.7722      -180.0 
1 1 1 0  48 20 o 8.034000       2.647000      428.4271      180.0  
1 1 1 0  48 21 o 12.75000       2.764000      553.8135      -0.0   
1 1 1 0  48 22 o 5.624000       2.708000      368.5661      180.0  
1 1 1 0  48 23 o 1.387000       2.707000      140.0797      -0.0   
1 1 1 0  48 24 o 4.657000       2.855000      350.4394      0.0    
1 1 1 0  48 25 o 23.39000       3.164000      618.5244      -0.0   
1 1 1 0  48 26 o 6.570000       2.838000      266.9294      180.0  
1 1 1 0  48 27 o 5.446000       3.970000      332.1906      0.0    
1 1 1 0  48 29 o 2.896000       2.906000      ?             ?      
1 1 1 0  48 30 o 11.23000       2.932000      ?             ?      
1 1 1 0  48 31 o 4.131000       2.805000      ?             ?      
1 1 1 0  48 32 o 15.31000       3.071000      ?             ?      
1 1 1 0  48 33 o 2.294000       2.863000      ?             ?      
1 1 1 0  48 34 o -4.131000      2.788000      ?             ?      
1 1 1 0  48 35 o 3.553000       2.761000      ?             ?      
1 1 1 0  48 36 o 1.938000       2.756000      ?             ?      
1 1 1 0  48 37 o -0.9235000     2.731000      ?             ?      
1 1 1 0  48 38 o 2.485000       2.749000      ?             ?      
1 1 1 0  48 39 o 2.146000       2.790000      ?             ?      
1 1 1 0  48 40 o 4.312000       2.861000      ?             ?      
1 1 1 0  48 41 o 3.270000       2.802000      ?             ?      
1 1 1 0  48 42 o 5.435000       3.911000      ?             ?      
1 1 1 0  48 43 o -4.601000      4.492000      ?             ?      
1 1 1 0  48 44 o -3.858000      2.883000      ?             ?      
1 1 1 0  48 45 o 6.783000       1.131000      ?             ?      
1 1 1 0  48 46 o 1.485000       0.8228000     ?             ?      
1 1 1 0  48 47 o 0.7222000      0.8636000     ?             ?      
1 1 1 0  48 48 o 3.500000       1.022000      ?             ?      
1 1 1 0  48 49 f 0.6227000E-01  1.071000      ?             ?      
1 1 1 0  48 50 o -2.515000      1.554000      ?             ?      
1 1 1 0  48 51 o 3.034000       4.024000      ?             ?      
1 1 1 0  48 52 o -1.118000      1.668000      ?             ?      
1 1 1 0  48 53 o 1.481000       1.391000      ?             ?      
1 1 1 0  48 54 o 2.836000       1.478000      ?             ?      
1 1 1 0  49 1  o -1.099000      1.180000      50.21831      90.0   
1 1 1 0  49 2  o -1.983000      1.172000      67.89618      90.0   
1 1 1 0  49 3  o 6.570000       1.859000      343.3493      90.0   
1 1 1 0  49 4  o 7.736000       1.399000      386.0571      90.0   
1 1 1 0  49 5  o 0.5325000      1.209000      89.37502      90.0   
1 1 1 0  49 6  o 13.91000       1.646000      437.0460      -90.0  
1 1 1 0  49 7  o 6.960000       1.545000      218.6600      90.0   
1 1 1 0  49 8  o 1.169000       1.125000      29.39165      -90.0  
1 1 1 0  49 9  o 11.68000       1.144000      381.0421      -90.0  
1 1 1 0  49 10 o 0.7350000E-01  0.7881000     103.3641      -90.0  
1 1 1 0  49 11 o 3.790000       0.8045000     192.5181      -90.0  
1 1 1 0  49 12 o 0.6435000      3.403000      24.95569      90.0   
1 1 1 0  49 13 o 10.68000       2.439000      376.0146      90.0   
1 1 1 0  49 14 o 7.292000       2.430000      192.2041      -90.0  
1 1 1 0  49 15 o 4.752000       2.375000      220.1682      90.0   
1 1 1 0  49 17 o 0.9211000      2.502000      53.84086      90.0   
1 1 1 0  49 18 o 5.523000       2.549000      60.23302      -90.0  
1 1 1 0  49 19 o 5.618000       2.551000      182.7722      -90.0  
1 1 1 0  49 20 o 3.702000       2.613000      151.5385      90.0   
1 1 1 0  49 21 o -2.294000      2.646000      137.4130      -90.0  
1 1 1 0  49 22 o 2.964000       2.758000      238.0332      90.0   
1 1 1 0  49 23 o 3.215000       2.799000      273.7321      -90.0  
1 1 1 0  49 24 o 6.856000       2.912000      267.7052      90.0   
1 1 1 0  49 25 o 0.7621000      2.812000      132.8708      90.0   
1 1 1 0  49 26 o 8.238000       3.937000      284.9546      90.0   
1 1 1 0  49 28 o 6.481000       4.204000      ?             ?      
1 1 1 0  49 29 o -3.136000      2.752000      ?             ?      
1 1 1 0  49 30 o 3.137000       2.768000      ?             ?      
1 1 1 0  49 31 o 5.724000       2.841000      ?             ?      
1 1 1 0  49 32 o -0.2654000E-01 2.774000      ?             ?      
1 1 1 0  49 33 o 3.700000       2.823000      ?             ?      
1 1 1 0  49 34 o 6.875000       2.772000      ?             ?      
1 1 1 0  49 35 o -1.647000      2.719000      ?             ?      
1 1 1 0  49 36 o -1.545000      2.706000      ?             ?      
1 1 1 0  49 37 o 2.771000       2.805000      ?             ?      
1 1 1 0  49 38 o 5.948000       2.876000      ?             ?      
1 1 1 0  49 39 o 3.726000       2.807000      ?             ?      
1 1 1 0  49 40 o 2.322000       2.877000      ?             ?      
1 1 1 0  49 41 o 2.755000       3.774000      ?             ?      
1 1 1 0  49 43 o -0.8021000E-02 4.203000      ?             ?      
1 1 1 0  49 44 o -1.894000      2.807000      ?             ?      
1 1 1 0  49 45 o 0.3719000      2.858000      ?             ?      
1 1 1 0  49 46 o 4.667000       2.930000      ?             ?      
1 1 1 0  49 47 o 0.7951000      0.8104000     ?             ?      
1 1 1 0  49 48 o 0.3229000E-01  0.8733000     ?             ?      
1 1 1 0  49 49 o 0.2062000      0.9280000     ?             ?      
1 1 1 0  49 50 o 0.1206000      1.056000      ?             ?      
1 1 1 0  49 51 o 1.772000       1.126000      ?             ?      
1 1 1 0  49 52 o 0.3438000      4.080000      ?             ?      
1 1 1 0  49 53 o -0.5990000     4.027000      ?             ?      
1 1 1 0  50 0  o 11.84000       2.592000      402.3752      -180.0 
1 1 1 0  50 1  o -0.3519000     1.416000      56.56668      -180.0 
1 1 1 0  50 2  o -0.9477000     1.231000      0.1674829     0.0    
1 1 1 0  50 3  o -1.971000      1.458000      49.02205      -180.0 
1 1 1 0  50 4  o -3.098000      1.904000      75.20129      180.0  
1 1 1 0  50 5  o 0.7101000      1.240000      121.4710      -0.0   
1 1 1 0  50 6  o -0.5175000     1.181000      17.25400      0.0    
1 1 1 0  50 7  o 0.9099000      1.103000      9.725735      0.0    
1 1 1 0  50 8  o -0.8108000     1.083000      6.317720      180.0  
1 1 1 0  50 9  o 2.254000       1.057000      282.2079      0.0    
1 1 1 0  50 10 o 5.904000       0.8615000     240.0854      0.0    
1 1 1 0  50 11 o 2.052000       0.7405000     119.3602      -180.0 
1 1 1 0  50 12 o 3.498000       3.401000      135.8459      180.0  
1 1 1 0  50 13 o 1.169000       2.327000      194.3626      -0.0   
1 1 1 0  50 14 o 2.657000       2.360000      3.245299      0.0    
1 1 1 0  50 15 o -1.287000      2.376000      160.5054      180.0  
1 1 1 0  50 16 o 20.89000       2.709000      545.7847      180.0  
1 1 1 0  50 17 o -1.698000      2.447000      87.05042      0.0    
1 1 1 0  50 18 o 7.436000       2.567000      359.2475      0.0    
1 1 1 0  50 19 o 2.217000       2.589000      18.69158      0.0    
1 1 1 0  50 20 o 4.107000       2.656000      173.7245      180.0  
1 1 1 0  50 21 o -4.112000      2.660000      17.19256      -0.0   
1 1 1 0  50 22 o 4.634000       2.797000      322.1495      180.0  
1 1 1 0  50 23 o 3.748000       2.777000      79.37161      0.0    
1 1 1 0  50 24 o 5.832000       2.787000      ?             ?      
1 1 1 0  50 25 o 0.8721000      2.719000      ?             ?      
1 1 1 0  50 26 o -2.098000      3.743000      ?             ?      
1 1 1 0  50 28 o -4.938000      2.758000      ?             ?      
1 1 1 0  50 29 o 3.332000       2.749000      ?             ?      
1 1 1 0  50 30 o -4.489000      2.790000      ?             ?      
1 1 1 0  50 31 o 21.60000       3.178000      ?             ?      
1 1 1 0  50 32 o 4.898000       2.856000      ?             ?      
1 1 1 0  50 33 o 4.248000       2.839000      ?             ?      
1 1 1 0  50 34 o 2.920000       2.759000      ?             ?      
1 1 1 0  50 35 o 3.783000       2.794000      ?             ?      
1 1 1 0  50 36 o 3.097000       2.857000      ?             ?      
1 1 1 0  50 37 o -0.5405000     2.803000      ?             ?      
1 1 1 0  50 38 o -0.9348000     2.768000      ?             ?      
1 1 1 0  50 39 o -1.707000      2.759000      ?             ?      
1 1 1 0  50 40 o -0.2755000     2.796000      ?             ?      
1 1 1 0  50 41 o -4.664000      3.813000      ?             ?      
1 1 1 0  50 42 o 0.4055000      4.293000      ?             ?      
1 1 1 0  50 44 o 2.120000       2.814000      ?             ?      
1 1 1 0  50 45 o -2.567000      2.841000      ?             ?      
1 1 1 0  50 46 o 4.852000       3.952000      ?             ?      
1 1 1 0  50 47 o 7.930000       4.121000      ?             ?      
1 1 1 0  50 48 o 0.9591000      1.053000      ?             ?      
1 1 1 0  50 49 o 1.520000       0.8626000     ?             ?      
1 1 1 0  50 50 o 1.808000       0.9056000     ?             ?      
1 1 1 0  50 51 o -0.8933000E-01 0.9663000     ?             ?      
1 1 1 0  51 1  o 5.725000       1.608000      205.3252      -90.0  
1 1 1 0  51 2  o 1.717000       1.315000      188.5396      90.0   
1 1 1 0  51 3  o -2.588000      1.786000      75.75419      -90.0  
1 1 1 0  51 4  o -3.744000      2.665000      140.6758      90.0   
1 1 1 0  51 5  o 1.918000       1.270000      175.8707      90.0   
1 1 1 0  51 6  o -0.4380000     1.208000      129.9033      90.0   
1 1 1 0  51 7  o -1.325000      1.117000      61.49903      90.0   
1 1 1 0  51 8  o 2.593000       1.131000      241.2152      -90.0  
1 1 1 0  51 9  o 0.6329000      1.038000      3.007121      90.0   
1 1 1 0  51 10 o 1.059000       0.7984000     36.79180      90.0   
1 1 1 0  51 11 o -0.1436000     0.7306000     12.11463      90.0   
1 1 1 0  51 12 o 8.815000       2.486000      283.5864      -90.0  
1 1 1 0  51 13 o 1.137000       2.387000      95.76119      90.0   
1 1 1 0  51 14 o -0.4851000     2.388000      20.11597      90.0   
1 1 1 0  51 15 o -1.203000      2.425000      28.84658      -90.0  
1 1 1 0  51 16 o 2.968000       2.504000      32.72264      -90.0  
1 1 1 0  51 17 o 13.24000       2.704000      377.0897      90.0   
1 1 1 0  51 18 o 10.54000       2.651000      338.2769      -90.0  
1 1 1 0  51 19 f -1.883000      2.514000      81.24867      -90.0  
1 1 1 0  51 20 o 5.771000       2.680000      173.3206      90.0   
1 1 1 0  51 21 o 12.80000       2.851000      ?             ?      
1 1 1 0  51 22 o -3.447000      2.684000      ?             ?      
1 1 1 0  51 23 o 4.953000       2.671000      ?             ?      
1 1 1 0  51 24 f 1.622000       2.640000      ?             ?      
1 1 1 0  51 25 o 1.697000       3.590000      ?             ?      
1 1 1 0  51 27 o 4.098000       4.009000      ?             ?      
1 1 1 0  51 28 o 10.44000       2.778000      ?             ?      
1 1 1 0  51 29 o 0.2070000      2.702000      ?             ?      
1 1 1 0  51 30 o -0.5311000     2.741000      ?             ?      
1 1 1 0  51 31 o 2.246000       2.779000      ?             ?      
1 1 1 0  51 32 o 3.954000       2.726000      ?             ?      
1 1 1 0  51 33 o 6.466000       2.793000      ?             ?      
1 1 1 0  51 34 o 4.891000       2.823000      ?             ?      
1 1 1 0  51 35 o 2.508000       2.826000      ?             ?      
1 1 1 0  51 36 o 1.507000       2.801000      ?             ?      
1 1 1 0  51 37 o 3.505000       2.801000      ?             ?      
1 1 1 0  51 38 o -4.173000      2.764000      ?             ?      
1 1 1 0  51 39 o -1.491000      2.781000      ?             ?      
1 1 1 0  51 40 o 8.693000       3.875000      ?             ?      
1 1 1 0  51 42 o 3.481000       4.285000      ?             ?      
1 1 1 0  51 43 o 3.933000       2.907000      ?             ?      
1 1 1 0  51 44 o -1.653000      2.882000      ?             ?      
1 1 1 0  51 45 o -2.915000      3.907000      ?             ?      
1 1 1 0  51 46 o 7.243000       4.094000      ?             ?      
1 1 1 0  51 47 o -1.628000      3.859000      ?             ?      
1 1 1 0  51 48 o 7.637000       4.065000      ?             ?      
1 1 1 0  51 49 o 0.8796000      0.9317000     ?             ?      
1 1 1 0  51 50 o -0.7529000     1.124000      ?             ?      
1 1 1 0  52 0  o -0.8131000     1.840000      74.10313      -0.0   
1 1 1 0  52 1  o -0.4186000E-01 1.309000      38.42091      -180.0 
1 1 1 0  52 2  o 2.717000       1.380000      0.9633061     180.0  
1 1 1 0  52 3  o 17.40000       1.765000      362.5278      180.0  
1 1 1 0  52 4  o -3.193000      3.056000      34.83318      0.0    
1 1 1 0  52 5  o 8.498000       1.617000      339.9050      180.0  
1 1 1 0  52 6  o 1.963000       1.355000      82.17873      180.0  
1 1 1 0  52 7  o 1.563000       1.237000      13.91210      180.0  
1 1 1 0  52 8  o 4.020000       1.151000      130.8462      0.0    
1 1 1 0  52 9  o 0.9924000      1.050000      54.31061      0.0    
1 1 1 0  52 10 o 0.5262000      0.8172000     35.75836      180.0  
1 1 1 0  52 11 o 1.236000       0.7267000     57.51181      -0.0   
1 1 1 0  52 12 o 0.1147000      2.392000      75.70292      0.0    
1 1 1 0  52 13 o 1.177000       2.388000      37.15450      180.0  
1 1 1 0  52 14 o -5.007000      2.437000      113.3808      180.0  
1 1 1 0  52 15 o -0.6343000     2.434000      64.00064      -180.0 
1 1 1 0  52 16 o -2.378000      2.469000      70.59726      180.0  
1 1 1 0  52 17 o 8.815000       2.600000      214.5957      0.0    
1 1 1 0  52 18 o 4.475000       2.551000      ?             ?      
1 1 1 0  52 19 o 4.430000       2.467000      ?             ?      
1 1 1 0  52 20 o 1.741000       2.503000      ?             ?      
1 1 1 0  52 21 o 6.702000       2.627000      ?             ?      
1 1 1 0  52 22 o 3.618000       2.559000      ?             ?      
1 1 1 0  52 23 o -1.779000      2.518000      ?             ?      
1 1 1 0  52 24 o -0.2593000     2.548000      ?             ?      
1 1 1 0  52 25 o -0.4667000     3.544000      ?             ?      
1 1 1 0  52 27 o 2.151000       3.721000      ?             ?      
1 1 1 0  52 28 o -2.410000      2.677000      ?             ?      
1 1 1 0  52 29 o 5.265000       2.716000      ?             ?      
1 1 1 0  52 30 f -1.857000      2.656000      ?             ?      
1 1 1 0  52 31 o 1.360000       2.709000      ?             ?      
1 1 1 0  52 32 o 1.801000       2.700000      ?             ?      
1 1 1 0  52 33 o 8.233000       2.818000      ?             ?      
1 1 1 0  52 34 o 2.153000       2.721000      ?             ?      
1 1 1 0  52 35 o 0.8569000      2.747000      ?             ?      
1 1 1 0  52 36 o 0.5834000      2.748000      ?             ?      
1 1 1 0  52 37 o 2.555000       2.820000      ?             ?      
1 1 1 0  52 38 o -4.959000      2.777000      ?             ?      
1 1 1 0  52 39 o -0.4430000     2.785000      ?             ?      
1 1 1 0  52 40 o -5.646000      3.769000      ?             ?      
1 1 1 0  52 41 o -2.753000      4.236000      ?             ?      
1 1 1 0  52 42 o 0.1666000E-01  2.820000      ?             ?      
1 1 1 0  52 43 o -1.701000      3.855000      ?             ?      
1 1 1 0  52 44 o -0.1951000E-01 3.899000      ?             ?      
1 1 1 0  52 45 o 3.996000       4.001000      ?             ?      
1 1 1 0  52 46 o 0.7056000      3.891000      ?             ?      
1 1 1 0  52 47 o 1.088000       3.964000      ?             ?      
1 1 1 0  52 48 o -1.630000      4.052000      ?             ?      
1 1 1 0  52 49 o -2.515000      4.056000      ?             ?      
1 1 1 0  53 1  o 1.878000       1.325000      89.75998      -90.0  
1 1 1 0  53 2  o 5.096000       1.357000      130.0894      -90.0  
1 1 1 0  53 3  o 1.120000       1.344000      83.30582      90.0   
1 1 1 0  53 4  o -2.869000      2.005000      12.63631      -90.0  
1 1 1 0  53 5  o 1.610000       1.541000      114.9453      -90.0  
1 1 1 0  53 6  o 0.3978000      1.383000      68.74626      -90.0  
1 1 1 0  53 7  o -0.1748000     1.288000      43.82521      90.0   
1 1 1 0  53 8  o 3.038000       1.156000      133.6265      -90.0  
1 1 1 0  53 9  o 1.682000       0.9905000     83.93651      90.0   
1 1 1 0  53 10 o 0.9991000      0.8243000     80.51207      -90.0  
1 1 1 0  53 11 o 2.515000       0.7647000     119.2068      -90.0  
1 1 1 0  53 12 o -0.2797000     2.362000      20.54285      90.0   
1 1 1 0  53 13 o 10.55000       2.527000      ?             ?      
1 1 1 0  53 14 o 2.804000       2.422000      ?             ?      
1 1 1 0  53 15 o 5.073000       2.442000      ?             ?      
1 1 1 0  53 16 o 3.745000       2.446000      ?             ?      
1 1 1 0  53 17 o 0.5269000E-03  2.399000      ?             ?      
1 1 1 0  53 18 o 2.367000       2.420000      ?             ?      
1 1 1 0  53 19 o 3.222000       2.423000      ?             ?      
1 1 1 0  53 20 o 1.634000       2.425000      ?             ?      
1 1 1 0  53 21 o -1.278000      2.399000      ?             ?      
1 1 1 0  53 22 o 3.587000       2.453000      ?             ?      
1 1 1 0  53 23 o -0.3374000     2.466000      ?             ?      
1 1 1 0  53 24 o -3.034000      3.363000      ?             ?      
1 1 1 0  53 26 o 2.884000       3.938000      ?             ?      
1 1 1 0  53 27 o -0.9841000     2.595000      ?             ?      
1 1 1 0  53 28 o -6.053000      2.632000      ?             ?      
1 1 1 0  53 29 o 4.462000       2.677000      ?             ?      
1 1 1 0  53 30 o 4.119000       2.784000      ?             ?      
1 1 1 0  53 31 o -0.9983000E-01 2.779000      ?             ?      
1 1 1 0  53 32 o -2.956000      2.702000      ?             ?      
1 1 1 0  53 33 o -0.7615000     2.700000      ?             ?      
1 1 1 0  53 34 o -1.687000      2.697000      ?             ?      
1 1 1 0  53 35 o 2.450000       2.751000      ?             ?      
1 1 1 0  53 36 o -0.7394000     2.723000      ?             ?      
1 1 1 0  53 37 o -4.084000      2.762000      ?             ?      
1 1 1 0  53 38 o -1.028000      2.786000      ?             ?      
1 1 1 0  53 39 o 2.059000       3.889000      ?             ?      
1 1 1 0  53 41 o 1.186000       4.254000      ?             ?      
1 1 1 0  53 42 o 1.811000       3.814000      ?             ?      
1 1 1 0  53 43 o -1.218000      3.915000      ?             ?      
1 1 1 0  53 44 o -6.060000      3.974000      ?             ?      
1 1 1 0  53 45 o 6.346000       3.952000      ?             ?      
1 1 1 0  53 46 o -0.5993000     3.856000      ?             ?      
1 1 1 0  53 47 o 3.724000       3.972000      ?             ?      
1 1 1 0  54 0  o 2.604000       1.841000      70.64206      180.0  
1 1 1 0  54 1  o -2.495000      1.294000      8.444847      -180.0 
1 1 1 0  54 2  o -0.5913000     1.320000      93.37321      180.0  
1 1 1 0  54 3  o 7.229000       1.385000      176.8587      -0.0   
1 1 1 0  54 4  o -0.3200000E-01 2.016000      39.85215      180.0  
1 1 1 0  54 5  o 3.585000       1.505000      ?             ?      
1 1 1 0  54 6  o 1.007000       1.223000      ?             ?      
1 1 1 0  54 7  o -0.2609000     1.153000      ?             ?      
1 1 1 0  54 8  o 0.1715000      1.085000      ?             ?      
1 1 1 0  54 9  o -0.1748000     0.9842000     ?             ?      
1 1 1 0  54 10 o -0.4523000E-01 0.8748000     ?             ?      
1 1 1 0  54 11 o -0.3464000     2.376000      ?             ?      
1 1 1 0  54 12 o -0.7871000     2.367000      ?             ?      
1 1 1 0  54 13 o 0.4116000      3.098000      ?             ?      
1 1 1 0  54 14 o -1.035000      3.199000      ?             ?      
1 1 1 0  54 15 o 9.141000       3.443000      ?             ?      
1 1 1 0  54 16 o 1.922000       2.425000      ?             ?      
1 1 1 0  54 17 o -4.536000      2.360000      ?             ?      
1 1 1 0  54 18 o 2.747000       2.404000      ?             ?      
1 1 1 0  54 19 o 5.700000       2.461000      ?             ?      
1 1 1 0  54 20 o 2.688000       2.422000      ?             ?      
1 1 1 0  54 21 o 9.031000       2.555000      ?             ?      
1 1 1 0  54 22 o -1.828000      2.409000      ?             ?      
1 1 1 0  54 23 o 1.744000       2.466000      ?             ?      
1 1 1 0  54 24 o -5.967000      3.252000      ?             ?      
1 1 1 0  54 26 o -3.383000      2.570000      ?             ?      
1 1 1 0  54 27 o 0.6355000      2.622000      ?             ?      
1 1 1 0  54 28 o 0.3087000E-01  2.634000      ?             ?      
1 1 1 0  54 29 o 2.793000       2.676000      ?             ?      
1 1 1 0  54 30 o 2.390000       2.712000      ?             ?      
1 1 1 0  54 31 o -1.028000      2.679000      ?             ?      
1 1 1 0  54 32 o -1.908000      2.644000      ?             ?      
1 1 1 0  54 33 o 1.646000       2.680000      ?             ?      
1 1 1 0  54 34 o 2.550000       2.736000      ?             ?      
1 1 1 0  54 35 o 1.176000       2.781000      ?             ?      
1 1 1 0  54 36 o 0.5550000      2.765000      ?             ?      
1 1 1 0  54 37 o 6.098000       2.846000      ?             ?      
1 1 1 0  54 38 o -1.252000      3.778000      ?             ?      
1 1 1 0  54 39 o -0.8320000     3.878000      ?             ?      
1 1 1 0  54 41 o 2.354000       3.969000      ?             ?      
1 1 1 0  54 42 o 11.28000       4.134000      ?             ?      
1 1 1 0  54 43 o -4.777000      3.972000      ?             ?      
1 1 1 0  54 44 o 1.746000       4.111000      ?             ?      
1 1 1 0  54 45 o -2.016000      3.964000      ?             ?      
1 1 1 0  54 46 o 0.1539000      4.016000      ?             ?      
1 1 1 0  55 1  o -1.126000      1.272000      ?             ?      
1 1 1 0  55 2  o 4.698000       1.331000      ?             ?      
1 1 1 0  55 3  o 3.627000       1.319000      ?             ?      
1 1 1 0  55 4  o 11.54000       1.730000      ?             ?      
1 1 1 0  55 5  o 1.144000       1.478000      ?             ?      
1 1 1 0  55 6  o -0.3553000     1.208000      ?             ?      
1 1 1 0  55 7  o 6.483000       1.228000      ?             ?      
1 1 1 0  55 8  o 7.850000       1.219000      ?             ?      
1 1 1 0  55 9  o -0.6265000E-01 0.9554000     ?             ?      
1 1 1 0  55 10 o -0.5792000     0.8517000     ?             ?      
1 1 1 0  55 11 o -0.1367000     2.252000      ?             ?      
1 1 1 0  55 12 o -2.269000      2.299000      ?             ?      
1 1 1 0  55 13 o -2.121000      3.469000      ?             ?      
1 1 1 0  55 14 o 1.983000       3.474000      ?             ?      
1 1 1 0  55 15 o -1.810000      2.357000      ?             ?      
1 1 1 0  55 16 o -4.449000      3.117000      ?             ?      
1 1 1 0  55 17 o -5.076000      3.074000      ?             ?      
1 1 1 0  55 18 o -0.1372000     3.109000      ?             ?      
1 1 1 0  55 19 o 1.517000       3.156000      ?             ?      
1 1 1 0  55 20 o 1.882000       2.424000      ?             ?      
1 1 1 0  55 21 o 0.6477000      2.416000      ?             ?      
1 1 1 0  55 22 o -1.324000      2.419000      ?             ?      
1 1 1 0  55 23 o -3.970000      3.104000      ?             ?      
1 1 1 0  55 25 o 4.391000       4.122000      ?             ?      
1 1 1 0  55 26 o 6.929000       2.585000      ?             ?      
1 1 1 0  55 27 o -4.467000      2.544000      ?             ?      
1 1 1 0  55 28 o 1.373000       2.600000      ?             ?      
1 1 1 0  55 29 o 1.029000       2.607000      ?             ?      
1 1 1 0  55 30 o -4.672000      3.533000      ?             ?      
1 1 1 0  55 31 o -0.6023000     2.691000      ?             ?      
1 1 1 0  55 32 o 4.887000       2.767000      ?             ?      
1 1 1 0  55 33 o -2.419000      2.720000      ?             ?      
1 1 1 0  55 34 o 0.9053000      2.779000      ?             ?      
1 1 1 0  55 35 o -1.013000      2.751000      ?             ?      
1 1 1 0  55 36 o 3.176000       2.795000      ?             ?      
1 1 1 0  55 37 o 2.653000       3.859000      ?             ?      
1 1 1 0  55 38 o -0.8682000E-01 3.888000      ?             ?      
1 1 1 0  55 41 o 6.764000       4.110000      ?             ?      
1 1 1 0  55 42 o 9.338000       4.272000      ?             ?      
1 1 1 0  55 43 o 2.688000       4.052000      ?             ?      
1 1 1 0  55 44 o -1.959000      3.977000      ?             ?      
1 1 1 0  56 0  o 4.538000       1.807000      ?             ?      
1 1 1 0  56 1  o 0.6880000      1.264000      ?             ?      
1 1 1 0  56 2  o 2.861000       1.292000      ?             ?      
1 1 1 0  56 3  o 4.174000       1.284000      ?             ?      
1 1 1 0  56 4  f 4.566000       1.615000      ?             ?      
1 1 1 0  56 5  o -0.7755000E-01 1.988000      ?             ?      
1 1 1 0  56 6  o 1.993000       1.190000      ?             ?      
1 1 1 0  56 7  o 6.288000       1.204000      ?             ?      
1 1 1 0  56 8  o 0.2268000      1.152000      ?             ?      
1 1 1 0  56 9  o 0.6836000      0.9336000     ?             ?      
1 1 1 0  56 10 o 6.798000       0.8466000     ?             ?      
1 1 1 0  56 11 o 4.259000       2.306000      ?             ?      
1 1 1 0  56 12 o 0.7423000      2.255000      ?             ?      
1 1 1 0  56 13 o -1.631000      2.282000      ?             ?      
1 1 1 0  56 14 o 10.96000       2.479000      ?             ?      
1 1 1 0  56 15 o 6.047000       2.426000      ?             ?      
1 1 1 0  56 16 o 6.908000       3.574000      ?             ?      
1 1 1 0  56 17 o -5.268000      3.538000      ?             ?      
1 1 1 0  56 18 o -3.847000      3.578000      ?             ?      
1 1 1 0  56 19 o 1.008000       2.409000      ?             ?      
1 1 1 0  56 20 o -3.342000      3.098000      ?             ?      
1 1 1 0  56 21 o 0.8059000      3.113000      ?             ?      
1 1 1 0  56 22 o 3.842000       3.261000      ?             ?      
1 1 1 0  56 23 o 4.211000       3.232000      ?             ?      
1 1 1 0  56 25 o 2.758000       2.579000      ?             ?      
1 1 1 0  56 26 o -2.346000      2.495000      ?             ?      
1 1 1 0  56 27 o 0.1794000E-01  2.484000      ?             ?      
1 1 1 0  56 28 o 0.2413000      2.558000      ?             ?      
1 1 1 0  56 29 o 0.2219000      2.556000      ?             ?      
1 1 1 0  56 30 o 3.031000       2.638000      ?             ?      
1 1 1 0  56 31 o 2.391000       2.669000      ?             ?      
1 1 1 0  56 32 o 5.075000       2.748000      ?             ?      
1 1 1 0  56 33 o 1.254000       2.756000      ?             ?      
1 1 1 0  56 34 o -1.495000      2.764000      ?             ?      
1 1 1 0  56 35 o -4.522000      3.703000      ?             ?      
1 1 1 0  56 36 o -1.326000      3.787000      ?             ?      
1 1 1 0  56 37 o 0.1119000      3.863000      ?             ?      
1 1 1 0  56 40 o 5.741000       4.112000      ?             ?      
1 1 1 0  56 41 o -2.214000      4.028000      ?             ?      
1 1 1 0  56 42 o -7.941000      3.955000      ?             ?      
1 1 1 0  57 1  o 1.441000       1.228000      ?             ?      
1 1 1 0  57 2  o 1.771000       1.244000      ?             ?      
1 1 1 0  57 3  o 1.426000       1.231000      ?             ?      
1 1 1 0  57 4  o 0.4930000      1.553000      ?             ?      
1 1 1 0  57 5  o 8.233000       2.148000      ?             ?      
1 1 1 0  57 6  o 0.7650000      1.155000      ?             ?      
1 1 1 0  57 7  o 1.456000       1.119000      ?             ?      
1 1 1 0  57 8  o 0.2655000      1.121000      ?             ?      
1 1 1 0  57 9  o 0.4562000      0.8623000     ?             ?      
1 1 1 0  57 10 o -0.7215000     0.7204000     ?             ?      
1 1 1 0  57 12 o 2.640000       2.224000      ?             ?      
1 1 1 0  57 13 o 1.413000       2.279000      ?             ?      
1 1 1 0  57 14 o 3.434000       2.338000      ?             ?      
1 1 1 0  57 15 o -2.076000      2.250000      ?             ?      
1 1 1 0  57 16 o 3.849000       2.287000      ?             ?      
1 1 1 0  57 17 o -4.347000      2.281000      ?             ?      
1 1 1 0  57 18 o -2.557000      2.339000      ?             ?      
1 1 1 0  57 19 o 4.221000       2.471000      ?             ?      
1 1 1 0  57 20 o 5.375000       3.740000      ?             ?      
1 1 1 0  57 21 o -0.3044000     3.802000      ?             ?      
1 1 1 0  57 25 o 3.035000       3.196000      ?             ?      
1 1 1 0  57 26 o 5.270000       3.355000      ?             ?      
1 1 1 0  57 27 o -0.8377000     3.270000      ?             ?      
1 1 1 0  57 28 o 7.572000       2.760000      ?             ?      
1 1 1 0  57 29 o -2.294000      2.611000      ?             ?      
1 1 1 0  57 30 o 5.192000       2.652000      ?             ?      
1 1 1 0  57 31 o 4.416000       2.642000      ?             ?      
1 1 1 0  57 32 o 0.9122000      2.684000      ?             ?      
1 1 1 0  57 33 o -2.903000      3.552000      ?             ?      
1 1 1 0  57 34 o 3.500000       3.628000      ?             ?      
1 1 1 0  57 35 o 3.682000       3.760000      ?             ?      
1 1 1 0  57 36 o -0.7597000     3.699000      ?             ?      
1 1 1 0  57 37 o 4.733000       3.879000      ?             ?      
1 1 1 0  57 39 o -3.469000      4.071000      ?             ?      
1 1 1 0  57 40 o 2.074000       4.022000      ?             ?      
1 1 1 0  57 41 o 5.355000       4.216000      ?             ?      
1 1 1 0  58 0  o -2.544000      1.734000      ?             ?      
1 1 1 0  58 1  o -0.8332000     1.194000      ?             ?      
1 1 1 0  58 2  o -0.1937000E-01 1.186000      ?             ?      
1 1 1 0  58 3  o 0.1256000      1.197000      ?             ?      
1 1 1 0  58 4  o 3.886000       1.239000      ?             ?      
1 1 1 0  58 5  o 6.966000       2.099000      ?             ?      
1 1 1 0  58 6  o 0.9441000E-01  1.145000      ?             ?      
1 1 1 0  58 7  o 5.588000       1.163000      ?             ?      
1 1 1 0  58 8  o 2.149000       1.156000      ?             ?      
1 1 1 0  58 9  o 1.534000       0.8289000     ?             ?      
1 1 1 0  58 10 o 2.202000       0.6800000     ?             ?      
1 1 1 0  58 12 o 0.7180000      2.174000      ?             ?      
1 1 1 0  58 13 o -0.6837000     2.173000      ?             ?      
1 1 1 0  58 14 o 2.952000       2.206000      ?             ?      
1 1 1 0  58 15 o -0.1075000     2.188000      ?             ?      
1 1 1 0  58 16 o 2.224000       2.251000      ?             ?      
1 1 1 0  58 17 o -0.6444000     2.260000      ?             ?      
1 1 1 0  58 18 o -2.558000      2.333000      ?             ?      
1 1 1 0  58 19 o 3.269000       2.419000      ?             ?      
1 1 1 0  58 20 o 3.278000       2.444000      ?             ?      
1 1 1 0  58 21 o 6.093000       2.526000      ?             ?      
1 1 1 0  58 22 o 2.886000       3.180000      ?             ?      
1 1 1 0  58 24 o -3.757000      3.805000      ?             ?      
1 1 1 0  58 25 o -3.641000      3.900000      ?             ?      
1 1 1 0  58 26 o -0.8957000     3.923000      ?             ?      
1 1 1 0  58 27 o 0.7454000E-01  2.555000      ?             ?      
1 1 1 0  58 28 o -2.165000      3.330000      ?             ?      
1 1 1 0  58 29 o 3.913000       3.388000      ?             ?      
1 1 1 0  58 30 o 2.292000       3.323000      ?             ?      
1 1 1 0  58 31 o -5.489000      3.262000      ?             ?      
1 1 1 0  58 32 o -0.2312000     3.424000      ?             ?      
1 1 1 0  58 33 o -4.636000      3.443000      ?             ?      
1 1 1 0  58 34 o 3.626000       3.587000      ?             ?      
1 1 1 0  58 35 o -0.9600000     3.604000      ?             ?      
1 1 1 0  58 36 o -4.047000      3.634000      ?             ?      
1 1 1 0  58 39 o 6.493000       3.920000      ?             ?      
1 1 1 0  59 1  o 8.177000       1.317000      ?             ?      
1 1 1 0  59 2  o 0.9247000      1.204000      ?             ?      
1 1 1 0  59 3  o -1.951000      1.177000      ?             ?      
1 1 1 0  59 4  o -0.6231000     1.135000      ?             ?      
1 1 1 0  59 5  o 7.548000       2.005000      ?             ?      
1 1 1 0  59 6  o -0.5211000E-02 1.283000      ?             ?      
1 1 1 0  59 7  o 1.919000       1.076000      ?             ?      
1 1 1 0  59 8  o -0.8651000E-01 1.070000      ?             ?      
1 1 1 0  59 9  o -0.6891000     0.8542000     ?             ?      
1 1 1 0  59 10 o -0.2208000     0.5695000     ?             ?      
1 1 1 0  59 11 o 1.485000       2.111000      ?             ?      
1 1 1 0  59 12 o -1.079000      2.114000      ?             ?      
1 1 1 0  59 13 o 1.210000       2.168000      ?             ?      
1 1 1 0  59 14 o 2.911000       2.217000      ?             ?      
1 1 1 0  59 15 o 3.103000       2.245000      ?             ?      
1 1 1 0  59 16 o -2.387000      2.227000      ?             ?      
1 1 1 0  59 17 o 3.749000       2.344000      ?             ?      
1 1 1 0  59 18 o 2.216000       2.313000      ?             ?      
1 1 1 0  59 19 o 5.363000       2.448000      ?             ?      
1 1 1 0  59 20 o 1.625000       2.407000      ?             ?      
1 1 1 0  59 21 o -0.8398000     3.186000      ?             ?      
1 1 1 0  59 23 o 4.737000       3.797000      ?             ?      
1 1 1 0  59 24 o 2.254000       2.493000      ?             ?      
1 1 1 0  59 25 o -2.370000      2.510000      ?             ?      
1 1 1 0  59 26 o -0.7717000     2.509000      ?             ?      
1 1 1 0  59 27 o 3.909000       3.478000      ?             ?      
1 1 1 0  59 31 o 5.071000       3.714000      ?             ?      
1 1 1 0  59 32 o -3.211000      3.500000      ?             ?      
1 1 1 0  59 33 o -1.167000      3.488000      ?             ?      
1 1 1 0  59 34 o -0.1191000     3.554000      ?             ?      
1 1 1 0  59 35 o -1.098000      3.619000      ?             ?      
1 1 1 0  59 36 o 0.6296000      3.684000      ?             ?      
1 1 1 0  60 0  o 5.512000       1.782000      ?             ?      
1 1 1 0  60 1  o -2.053000      1.218000      ?             ?      
1 1 1 0  60 2  o 2.127000       1.216000      ?             ?      
1 1 1 0  60 3  o 0.6736000E-01  1.168000      ?             ?      
1 1 1 0  60 4  o -1.089000      1.138000      ?             ?      
1 1 1 0  60 5  o -2.684000      1.856000      ?             ?      
1 1 1 0  60 6  o 2.599000       1.275000      ?             ?      
1 1 1 0  60 7  o -0.3710000     1.045000      ?             ?      
1 1 1 0  60 8  o -0.8188000     0.8926000     ?             ?      
1 1 1 0  60 9  o -0.1082000     0.8224000     ?             ?      
1 1 1 0  60 10 o -0.3546000     0.5335000     ?             ?      
1 1 1 0  60 11 o -1.046000      2.103000      ?             ?      
1 1 1 0  60 12 o -0.4332000     2.103000      ?             ?      
1 1 1 0  60 13 o -0.7428000     2.148000      ?             ?      
1 1 1 0  60 15 o 1.724000       2.250000      ?             ?      
1 1 1 0  60 16 o 0.3161000      2.251000      ?             ?      
1 1 1 0  60 17 o 0.5307000      2.328000      ?             ?      
1 1 1 0  60 18 o 5.609000       2.415000      ?             ?      
1 1 1 0  60 19 o 6.692000       2.431000      ?             ?      
1 1 1 0  60 20 o -1.477000      2.387000      ?             ?      
1 1 1 0  60 21 o 2.455000       3.171000      ?             ?      
1 1 1 0  60 23 o 2.825000       2.519000      ?             ?      
1 1 1 0  60 24 o 3.981000       2.552000      ?             ?      
1 1 1 0  60 25 o 0.2735000      3.270000      ?             ?      
1 1 1 0  60 26 o 3.915000       3.428000      ?             ?      
1 1 1 0  60 27 o -0.3688000     3.447000      ?             ?      
1 1 1 0  60 28 o 0.8276000      3.385000      ?             ?      
1 1 1 0  60 29 o 1.212000       3.362000      ?             ?      
1 1 1 0  60 30 o 2.940000       3.521000      ?             ?      
1 1 1 0  60 31 o -2.965000      3.569000      ?             ?      
1 1 1 0  60 32 o -5.793000      3.631000      ?             ?      
1 1 1 0  61 1  o -0.9929000     1.211000      ?             ?      
1 1 1 0  61 2  o 0.3053000      1.183000      ?             ?      
1 1 1 0  61 3  o 2.110000       1.197000      ?             ?      
1 1 1 0  61 4  o 0.8808000      1.151000      ?             ?      
1 1 1 0  61 5  o 2.351000       1.887000      ?             ?      
1 1 1 0  61 6  o 2.893000       1.390000      ?             ?      
1 1 1 0  61 7  o -0.1591000     1.150000      ?             ?      
1 1 1 0  61 8  o 0.6214000      0.8805000     ?             ?      
1 1 1 0  61 9  o 1.128000       0.8156000     ?             ?      
1 1 1 0  61 10 o -1.136000      0.6569000     ?             ?      
1 1 1 0  61 11 o 3.091000       2.083000      ?             ?      
1 1 1 0  61 12 o 2.634000       2.189000      ?             ?      
1 1 1 0  61 13 o 1.356000       2.179000      ?             ?      
1 1 1 0  61 14 o 2.448000       2.183000      ?             ?      
1 1 1 0  61 15 o 5.236000       2.238000      ?             ?      
1 1 1 0  61 16 o 1.827000       2.251000      ?             ?      
1 1 1 0  61 17 o -0.8578000     2.275000      ?             ?      
1 1 1 0  61 18 o 2.152000       2.321000      ?             ?      
1 1 1 0  61 19 o 2.312000       2.364000      ?             ?      
1 1 1 0  61 20 o -0.5195000     2.365000      ?             ?      
1 1 1 0  61 21 o 1.271000       3.247000      ?             ?      
1 1 1 0  61 22 o 4.088000       3.920000      ?             ?      
1 1 1 0  61 23 o 1.795000       2.488000      ?             ?      
1 1 1 0  61 24 o -1.547000      2.480000      ?             ?      
1 1 1 0  61 25 o -0.1151000     3.307000      ?             ?      
1 1 1 0  61 26 o 3.843000       3.455000      ?             ?      
1 1 1 0  61 27 o 0.3086000      3.468000      ?             ?      
1 1 1 0  61 28 o 0.8125000      3.344000      ?             ?      
1 1 1 0  61 29 o 8.382000       3.616000      ?             ?      
1 1 1 0  61 30 o -5.429000      3.485000      ?             ?      
1 1 1 0  61 31 o 7.851000       3.708000      ?             ?      
1 1 1 0  61 32 o 3.415000       3.571000      ?             ?      
1 1 1 0  62 0  o -1.292000      1.664000      ?             ?      
1 1 1 0  62 1  o 2.954000       1.213000      ?             ?      
1 1 1 0  62 2  o 0.1366000      1.190000      ?             ?      
1 1 1 0  62 3  o 1.260000       1.164000      ?             ?      
1 1 1 0  62 4  o 1.148000       1.129000      ?             ?      
1 1 1 0  62 5  o 2.108000       1.914000      ?             ?      
1 1 1 0  62 6  o 0.6805000      1.365000      ?             ?      
1 1 1 0  62 7  o 1.044000       1.195000      ?             ?      
1 1 1 0  62 8  o 0.6284000      0.8360000     ?             ?      
1 1 1 0  62 9  f 0.7876000      0.7507000     ?             ?      
1 1 1 0  62 10 o -0.1416000     2.020000      ?             ?      
1 1 1 0  62 11 o -3.762000      2.085000      ?             ?      
1 1 1 0  62 12 o 6.428000       2.227000      ?             ?      
1 1 1 0  62 13 o 6.354000       2.306000      ?             ?      
1 1 1 0  62 14 o 0.2561000      2.208000      ?             ?      
1 1 1 0  62 15 o -1.648000      2.235000      ?             ?      
1 1 1 0  62 16 o 6.973000       2.358000      ?             ?      
1 1 1 0  62 17 o -1.545000      2.310000      ?             ?      
1 1 1 0  62 18 o -1.317000      2.305000      ?             ?      
1 1 1 0  62 19 o 0.3735000      2.355000      ?             ?      
1 1 1 0  62 20 o 3.504000       3.196000      ?             ?      
1 1 1 0  62 22 o 1.214000       3.870000      ?             ?      
1 1 1 0  62 23 o 2.610000       2.516000      ?             ?      
1 1 1 0  62 24 o 1.305000       2.527000      ?             ?      
1 1 1 0  62 25 o -0.7603000     2.561000      ?             ?      
1 1 1 0  62 26 o 3.827000       2.630000      ?             ?      
1 1 1 0  62 27 o 1.979000       3.388000      ?             ?      
1 1 1 0  62 28 o -6.621000      3.401000      ?             ?      
1 1 1 0  62 29 o -2.953000      3.411000      ?             ?      
1 1 1 0  62 30 o 1.157000       3.541000      ?             ?      
1 1 1 0  63 1  o 0.8359000      1.199000      ?             ?      
1 1 1 0  63 2  o 1.061000       1.199000      ?             ?      
1 1 1 0  63 3  o -0.8280000     1.178000      ?             ?      
1 1 1 0  63 4  o 4.532000       1.174000      ?             ?      
1 1 1 0  63 5  o 3.228000       1.907000      ?             ?      
1 1 1 0  63 6  o 0.3612000      1.329000      ?             ?      
1 1 1 0  63 7  o -0.1166000     1.167000      ?             ?      
1 1 1 0  63 8  o -0.2882000     0.9478000     ?             ?      
1 1 1 0  63 9  o 0.6284000      0.7225000     ?             ?      
1 1 1 0  63 10 o -5.681000      2.006000      ?             ?      
1 1 1 0  63 11 o -4.834000      2.068000      ?             ?      
1 1 1 0  63 12 o -1.906000      2.110000      ?             ?      
1 1 1 0  63 13 o -6.259000      2.194000      ?             ?      
1 1 1 0  63 14 f -0.3312000E-01 2.274000      ?             ?      
1 1 1 0  63 15 o 3.056000       2.321000      ?             ?      
1 1 1 0  63 16 o -0.5529000E-01 2.319000      ?             ?      
1 1 1 0  63 17 o 0.8170000      2.332000      ?             ?      
1 1 1 0  63 18 o -0.1962000     2.396000      ?             ?      
1 1 1 0  63 19 o 1.799000       2.462000      ?             ?      
1 1 1 0  63 20 o -1.469000      3.211000      ?             ?      
1 1 1 0  63 21 o 1.536000       3.896000      ?             ?      
1 1 1 0  63 22 o 0.1833000      2.495000      ?             ?      
1 1 1 0  63 23 o -1.681000      2.521000      ?             ?      
1 1 1 0  63 24 o 1.014000       2.530000      ?             ?      
1 1 1 0  63 25 o 1.080000       2.559000      ?             ?      
1 1 1 0  63 26 o 3.008000       2.603000      ?             ?      
1 1 1 0  63 27 o 4.424000       2.639000      ?             ?      
1 1 1 0  64 0  o 2.854000       1.708000      ?             ?      
1 1 1 0  64 1  o 0.4684000      1.194000      ?             ?      
1 1 1 0  64 2  o 0.7442000      1.204000      ?             ?      
1 1 1 0  64 3  o 3.823000       1.247000      ?             ?      
1 1 1 0  64 4  o 1.525000       1.135000      ?             ?      
1 1 1 0  64 5  o 0.7449000      1.886000      ?             ?      
1 1 1 0  64 6  o 1.373000       1.529000      ?             ?      
1 1 1 0  64 7  f -0.2798000     1.043000      ?             ?      
1 1 1 0  64 8  o 0.5168000      0.9265000     ?             ?      
1 1 1 0  64 9  o 1.259000       0.6950000     ?             ?      
1 1 1 0  64 10 o 0.7956000      2.099000      ?             ?      
1 1 1 0  64 11 o 3.264000       2.177000      ?             ?      
1 1 1 0  64 12 o 2.326000       2.102000      ?             ?      
1 1 1 0  64 13 o 0.8545000      2.170000      ?             ?      
1 1 1 0  64 14 o 0.9901000      2.276000      ?             ?      
1 1 1 0  64 15 o -1.814000      2.300000      ?             ?      
1 1 1 0  64 16 o 2.179000       2.393000      ?             ?      
1 1 1 0  64 17 o 1.216000       2.387000      ?             ?      
1 1 1 0  64 18 o 3.770000       2.534000      ?             ?      
1 1 1 0  64 19 o -3.437000      3.213000      ?             ?      
1 1 1 0  64 21 o -3.577000      3.848000      ?             ?      
1 1 1 0  64 22 o -1.650000      2.509000      ?             ?      
1 1 1 0  64 23 o 0.8087000      2.532000      ?             ?      
1 1 1 0  64 24 o -2.882000      3.352000      ?             ?      
1 1 1 0  65 1  o -0.9036000     1.193000      ?             ?      
1 1 1 0  65 2  o 1.122000       1.190000      ?             ?      
1 1 1 0  65 3  o -1.918000      1.164000      ?             ?      
1 1 1 0  65 4  o -0.2806000     1.119000      ?             ?      
1 1 1 0  65 5  o 1.979000       2.536000      ?             ?      
1 1 1 0  65 6  o 2.258000       1.565000      ?             ?      
1 1 1 0  65 7  o 0.3050000      0.9420000     ?             ?      
1 1 1 0  65 8  o 0.4795000      0.9085000     ?             ?      
1 1 1 0  65 9  o 0.7709000      0.6320000     ?             ?      
1 1 1 0  65 10 o 2.650000       2.107000      ?             ?      
1 1 1 0  65 11 o 1.050000       2.157000      ?             ?      
1 1 1 0  65 12 o 3.502000       2.169000      ?             ?      
1 1 1 0  65 13 o 0.1367000      2.182000      ?             ?      
1 1 1 0  65 14 o -3.934000      2.221000      ?             ?      
1 1 1 0  65 15 o 1.274000       2.320000      ?             ?      
1 1 1 0  65 16 o 5.151000       2.420000      ?             ?      
1 1 1 0  65 17 o 0.1738000      2.399000      ?             ?      
1 1 1 0  65 18 o -0.1085000     2.412000      ?             ?      
1 1 1 0  65 19 o -1.062000      3.192000      ?             ?      
1 1 1 0  66 0  o 2.136000       1.699000      ?             ?      
1 1 1 0  66 1  o -1.576000      1.192000      ?             ?      
1 1 1 0  66 2  o 0.2463000      1.196000      ?             ?      
1 1 1 0  66 3  o 0.1519000      1.150000      ?             ?      
1 1 1 0  66 4  o -1.418000      1.129000      ?             ?      
1 1 1 0  66 5  o -0.4220000     2.573000      ?             ?      
1 1 1 0  66 6  o -0.2784000     1.659000      ?             ?      
1 1 1 0  66 7  o 0.5115000      1.058000      ?             ?      
1 1 1 0  66 8  o 0.3897000      0.7754000     ?             ?      
1 1 1 0  66 9  o 0.1910000      0.6885000     ?             ?      
1 1 1 0  66 10 o 0.5604000      2.139000      ?             ?      
1 1 1 0  66 11 o 0.9166000      2.159000      ?             ?      
1 1 1 0  66 12 o -0.6312000     2.190000      ?             ?      
1 1 1 0  66 13 o 2.421000       2.237000      ?             ?      
1 1 1 0  66 14 o 7.747000       2.372000      ?             ?      
1 1 1 0  66 15 o -2.860000      2.327000      ?             ?      
1 1 1 0  67 1  o 0.6991000      1.195000      ?             ?      
1 1 1 0  67 2  o -0.5962000     1.205000      ?             ?      
1 1 1 0  67 3  o 1.317000       1.166000      ?             ?      
1 1 1 0  67 4  o -0.3113000     1.131000      ?             ?      
1 1 1 0  67 5  o 3.656000       2.655000      ?             ?      
1 1 1 0  67 6  o 2.741000       1.659000      ?             ?      
1 1 1 0  67 7  o 0.3279000      1.141000      ?             ?      
1 1 1 0  67 8  o -0.5095000     0.8759000     ?             ?      
1 1 1 1  0  3  o 0.7703000E-01  0.1049000     51.67793      -90.0  
1 1 1 1  0  4  o 0.3320000      0.1509000     2.858564      0.0    
1 1 1 1  0  5  o 0.4371000      0.1825000     35.92694      90.0   
1 1 1 1  0  6  o 0.1641000      0.2130000     152.9402      -180.0 
1 1 1 1  0  7  o 0.3759000      0.2518000     0.2287027     -90.0  
1 1 1 1  0  8  o 0.9396000      0.2932000     212.5887      180.0  
1 1 1 1  0  9  o 3.026000       0.3469000     173.8139      90.0   
1 1 1 1  0  10 o 1.017000       0.3617000     191.6292      180.0  
1 1 1 1  0  11 o 0.4226000      0.3946000     44.39041      90.0   
1 1 1 1  0  12 o 7.227000       0.5070000     64.65166      0.0    
1 1 1 1  0  13 o 4.334000       0.5070000     161.3864      -90.0  
1 1 1 1  0  14 o 6.969000       0.5685000     570.0081      180.0  
1 1 1 1  0  15 o 1.673000       0.5373000     372.3454      90.0   
1 1 1 1  0  16 o 2.173000       0.5729000     377.9535      0.0    
1 1 1 1  0  17 o 3.783000       0.8672000     162.9262      -90.0  
1 1 1 1  0  19 o 3.664000       0.9410000     370.2432      90.0   
1 1 1 1  0  20 o 0.9368000      0.6513000     96.93987      180.0  
1 1 1 1  0  21 o 2.785000       0.6880000     136.7883      -90.0  
1 1 1 1  0  22 o 5.097000       0.7433000     191.7937      -0.0   
1 1 1 1  0  23 o 5.040000       0.7748000     42.53392      -90.0  
1 1 1 1  0  24 o 22.63000       1.274000      591.4402      -180.0 
1 1 1 1  0  25 o 18.86000       1.057000      503.9387      90.0   
1 1 1 1  0  26 o 17.26000       1.068000      521.4286      180.0  
1 1 1 1  0  27 o 5.000000       0.9605000     3.901722      -90.0  
1 1 1 1  0  28 o 28.37000       1.418000      212.4104      -0.0   
1 1 1 1  0  29 o 28.61000       1.460000      135.6112      90.0   
1 1 1 1  0  30 o 216.9000       6.323000      426.0184      -0.0   
1 1 1 1  0  31 o 0.2871000      1.201000      57.90709      -90.0  
1 1 1 1  0  32 o 89.41000       2.996000      607.5126      0.0    
1 1 1 1  0  33 o 2.531000       1.387000      56.15949      90.0   
1 1 1 1  0  34 o 26.48000       1.744000      19.64639      -0.0   
1 1 1 1  0  35 o 6.510000       2.204000      398.9141      90.0   
1 1 1 1  0  37 o 4.649000       1.598000      157.7036      90.0   
1 1 1 1  0  38 o 21.89000       1.780000      341.5246      0.0    
1 1 1 1  0  39 o 11.46000       1.600000      288.5075      90.0   
1 1 1 1  0  40 o 4.985000       1.518000      195.4002      -180.0 
1 1 1 1  0  41 o 7.073000       1.514000      227.2854      -90.0  
1 1 1 1  0  42 o 35.69000       1.948000      369.8541      180.0  
1 1 1 1  0  43 o 6.777000       1.461000      73.91052      90.0   
1 1 1 1  0  44 o 7.932000       1.482000      415.1624      180.0  
1 1 1 1  0  45 o 2.328000       1.999000      88.54641      -90.0  
1 1 1 1  0  46 o 5.823000       2.122000      167.6479      180.0  
1 1 1 1  0  47 o 3.567000       1.573000      139.9087      90.0   
1 1 1 1  0  48 o 7.062000       2.192000      339.6370      0.0    
1 1 1 1  0  49 o 6.557000       1.846000      317.6723      90.0   
1 1 1 1  0  50 o 3.447000       1.546000      184.1755      180.0  
1 1 1 1  0  51 o 1.664000       2.257000      0.8331861E-01 -90.0  
1 1 1 1  0  53 o 6.064000       2.400000      284.0965      -90.0  
1 1 1 1  0  54 o 29.08000       2.142000      406.6196      -180.0 
1 1 1 1  0  55 o 6.118000       1.853000      318.7174      90.0   
1 1 1 1  0  56 o 6.984000       1.908000      236.1975      -0.0   
1 1 1 1  0  57 o 1.590000       1.860000      145.7429      -90.0  
1 1 1 1  0  58 o 1.455000       1.959000      0.4822290     0.0    
1 1 1 1  0  59 o -2.569000      2.287000      185.1807      90.0   
1 1 1 1  0  60 o 8.852000       2.156000      297.4119      -180.0 
1 1 1 1  0  61 f 3.848000       2.137000      350.5427      -90.0  
1 1 1 1  0  62 o 3.222000       2.147000      96.39752      -180.0 
1 1 1 1  0  63 o 1.060000       2.039000      ?             ?      
1 1 1 1  0  64 o -1.412000      1.964000      ?             ?      
1 1 1 1  0  65 o 0.2166000      1.931000      ?             ?      
1 1 1 1  0  66 o -0.1066000     2.708000      ?             ?      
1 1 1 1  0  67 f 1.682000       2.884000      ?             ?      
1 1 1 1  0  68 o 5.584000       2.184000      ?             ?      
1 1 1 1  0  69 o 0.9688000      2.014000      ?             ?      
1 1 1 1  0  70 o 4.608000       2.025000      ?             ?      
1 1 1 1  0  71 o 1.843000       2.007000      ?             ?      
1 1 1 1  0  72 o 1.905000       2.025000      ?             ?      
1 1 1 1  0  73 o 0.1179000      1.967000      ?             ?      
1 1 1 1  0  74 o 1.497000       2.031000      ?             ?      
1 1 1 1  0  75 o 2.496000       2.057000      ?             ?      
1 1 1 1  0  76 o 4.334000       2.178000      ?             ?      
1 1 1 1  0  77 o 1.466000       2.108000      ?             ?      
1 1 1 1  1  2  f -0.3895000E-01 0.4814000E-01 ?             ?      
1 1 1 1  1  4  o 0.5056000      0.1042000     ?             ?      
1 1 1 1  1  5  o 2.932000       0.1618000     235.0135      59.4   
1 1 1 1  1  6  o -0.5320000E-01 0.1520000     ?             ?      
1 1 1 1  1  7  o 1.103000       0.1818000     ?             ?      
1 1 1 1  1  8  o 1.470000       0.2109000     148.9814      -18.7  
1 1 1 1  1  9  o 21.96000       0.5258000     907.8364      -126.9 
1 1 1 1  1  10 o 3.322000       0.2709000     124.0869      51.9   
1 1 1 1  1  11 o 1.522000       0.2840000     340.0324      18.1   
1 1 1 1  1  12 o 6.906000       0.3553000     338.3600      149.2  
1 1 1 1  1  13 o 34.81000       0.8156000     964.1663      -30.4  
1 1 1 1  1  14 o 28.66000       0.7229000     892.4062      -147.1 
1 1 1 1  1  15 o 1.678000       0.3825000     347.0154      104.1  
1 1 1 1  1  16 o 10.51000       0.4805000     413.6697      -23.2  
1 1 1 1  1  17 o 34.37000       0.9956000     609.8085      -122.0 
1 1 1 1  1  18 o 3.159000       0.6684000     426.1150      -6.6   
1 1 1 1  1  19 o 4.089000       0.5601000     276.4614      61.9   
1 1 1 1  1  20 o 6.090000       0.4969000     88.89438      -138.5 
1 1 1 1  1  21 o 4.014000       0.4981000     9.249985      -91.2  
1 1 1 1  1  22 o 1.994000       0.5115000     324.9957      153.8  
1 1 1 1  1  23 o 6.488000       0.5662000     305.7909      -95.3  
1 1 1 1  1  24 o 15.27000       0.6802000     586.7841      126.2  
1 1 1 1  1  25 o 31.19000       0.9295000     528.2460      -73.5  
1 1 1 1  1  26 o 24.65000       0.8500000     291.4831      -118.7 
1 1 1 1  1  27 o 33.73000       1.019000      559.9586      171.1  
1 1 1 1  1  28 o 249.5000       5.059000      1571.635      169.1  
1 1 1 1  1  29 o 12.25000       0.8358000     325.1693      -161.4 
1 1 1 1  1  30 o 16.73000       0.9237000     563.8874      -79.7  
1 1 1 1  1  31 o 26.18000       1.062000      424.3969      -46.1  
1 1 1 1  1  32 o 39.10000       1.291000      944.8080      178.7  
1 1 1 1  1  33 o 53.76000       1.665000      312.8306      -162.6 
1 1 1 1  1  34 f 30.04000       1.444000      363.7859      157.4  
1 1 1 1  1  35 o 14.06000       2.256000      231.8719      -176.5 
1 1 1 1  1  36 o 16.13000       2.384000      527.9707      -81.6  
1 1 1 1  1  37 o 8.060000       1.307000      250.9473      49.7   
1 1 1 1  1  38 o 17.26000       1.389000      366.1525      -7.1   
1 1 1 1  1  39 o 15.67000       1.164000      476.0269      170.8  
1 1 1 1  1  40 o 9.948000       1.102000      508.0368      -130.8 
1 1 1 1  1  41 o 6.958000       1.082000      313.0440      -95.2  
1 1 1 1  1  42 o 10.21000       1.107000      278.0220      30.2   
1 1 1 1  1  43 o 5.404000       1.194000      255.8616      -143.6 
1 1 1 1  1  44 o 5.013000       1.123000      236.6131      143.1  
1 1 1 1  1  45 o 22.99000       1.333000      705.3029      10.3   
1 1 1 1  1  46 o 20.85000       1.407000      559.0461      -155.8 
1 1 1 1  1  47 o 5.921000       1.176000      279.5945      96.7   
1 1 1 1  1  48 o 7.125000       1.259000      352.6224      25.5   
1 1 1 1  1  49 o 2.986000       1.103000      228.6776      179.2  
1 1 1 1  1  50 o 6.893000       1.265000      257.0702      -110.9 
1 1 1 1  1  51 o 0.8036000      1.274000      113.4877      50.5   
1 1 1 1  1  52 o 4.053000       1.729000      186.2755      -134.6 
1 1 1 1  1  53 o 10.40000       1.450000      453.5071      -132.3 
1 1 1 1  1  54 o 10.56000       1.311000      335.6923      133.4  
1 1 1 1  1  55 o 3.110000       1.394000      228.0334      20.0   
1 1 1 1  1  56 o 2.790000       1.312000      90.92540      -152.9 
1 1 1 1  1  57 o 3.670000       1.339000      161.8282      -109.7 
1 1 1 1  1  58 o 8.034000       1.429000      176.8279      -4.4   
1 1 1 1  1  59 o 7.846000       1.469000      247.3742      -171.6 
1 1 1 1  1  60 o 14.37000       1.573000      492.5252      29.5   
1 1 1 1  1  61 o 3.856000       1.508000      201.3701      -59.1  
1 1 1 1  1  62 o 5.235000       1.494000      184.9053      -114.1 
1 1 1 1  1  63 o 0.1452000      1.425000      ?             ?      
1 1 1 1  1  64 o 3.237000       1.401000      ?             ?      
1 1 1 1  1  65 o 0.6362000      1.495000      ?             ?      
1 1 1 1  1  66 o -0.3094000     2.394000      ?             ?      
1 1 1 1  1  67 o 6.003000       2.845000      ?             ?      
1 1 1 1  1  68 o 3.615000       1.678000      ?             ?      
1 1 1 1  1  69 o 4.714000       1.453000      ?             ?      
1 1 1 1  1  70 o 0.4415000E-01  1.416000      ?             ?      
1 1 1 1  1  71 o -0.8093000     1.396000      ?             ?      
1 1 1 1  1  72 o 1.190000       1.419000      ?             ?      
1 1 1 1  1  73 o -0.4604000     1.423000      ?             ?      
1 1 1 1  1  74 o 0.1008000      1.425000      ?             ?      
1 1 1 1  1  75 o 0.4029000E-01  1.450000      ?             ?      
1 1 1 1  1  77 o 0.4305000      1.481000      ?             ?      
1 1 1 1  2  0  o 2.110000       0.1477000     1916.094      -90.0  
1 1 1 1  2  1  o 9.399000       0.5367000     1347.822      85.2   
1 1 1 1  2  4  o 7.398000       0.2605000     840.0735      -145.8 
1 1 1 1  2  5  o 5.886000       0.2068000     341.0008      123.3  
1 1 1 1  2  6  o 6.120000       0.2114000     248.1531      70.2   
1 1 1 1  2  7  o 9.737000       0.2847000     706.8480      130.1  
1 1 1 1  2  8  o 1.274000       0.2081000     ?             ?      
1 1 1 1  2  9  o 16.43000       0.4299000     740.9080      -27.5  
1 1 1 1  2  10 o 2.440000       0.2651000     547.0900      25.3   
1 1 1 1  2  11 o 2.957000       0.2936000     255.5828      -46.9  
1 1 1 1  2  12 o 68.29000       1.425000      1294.307      -17.4  
1 1 1 1  2  13 o 17.29000       0.5182000     853.1080      -50.3  
1 1 1 1  2  14 o 67.09000       1.423000      1043.444      145.8  
1 1 1 1  2  15 o 37.45000       0.8899000     1033.637      -36.5  
1 1 1 1  2  16 o 9.103000       0.5233000     696.6552      1.3    
1 1 1 1  2  17 o 21.99000       0.9116000     475.7625      -96.9  
1 1 1 1  2  18 o 10.51000       0.7223000     305.4673      -131.1 
1 1 1 1  2  19 o 62.89000       1.983000      917.4122      61.6   
1 1 1 1  2  20 o 23.84000       0.8439000     818.5169      -98.9  
1 1 1 1  2  21 o 2.298000       0.4935000     125.6102      -166.8 
1 1 1 1  2  22 o 3.654000       0.5233000     372.3197      42.9   
1 1 1 1  2  23 o 48.00000       1.276000      873.2803      -125.0 
1 1 1 1  2  24 o 0.7608000      0.5597000     60.19089      -37.2  
1 1 1 1  2  25 o 14.13000       0.6917000     493.7198      35.0   
1 1 1 1  2  26 o 4.377000       0.6290000     388.5388      132.8  
1 1 1 1  2  27 o 4.542000       0.6698000     448.6537      102.4  
1 1 1 1  2  28 o 16.38000       0.8255000     386.1517      47.0   
1 1 1 1  2  29 o 27.69000       0.9968000     650.4597      48.6   
1 1 1 1  2  30 o 9.661000       0.8390000     370.1445      78.6   
1 1 1 1  2  31 o 23.56000       1.028000      628.9439      -53.8  
1 1 1 1  2  32 o 20.99000       1.051000      509.3138      -58.6  
1 1 1 1  2  33 o 14.99000       1.052000      330.0650      -103.6 
1 1 1 1  2  34 o 7.907000       1.211000      227.6779      -8.6   
1 1 1 1  2  35 o 5.758000       1.295000      326.2086      -101.3 
1 1 1 1  2  36 o 2.444000       1.317000      203.4633      -176.3 
1 1 1 1  2  37 o 9.856000       1.351000      279.1717      82.4   
1 1 1 1  2  38 o 23.04000       1.260000      482.8151      -46.5  
1 1 1 1  2  39 o 21.71000       1.227000      744.5552      -26.0  
1 1 1 1  2  40 o 6.332000       1.253000      393.1251      -69.9  
1 1 1 1  2  41 o 37.39000       1.598000      613.6154      134.0  
1 1 1 1  2  42 o 7.478000       1.083000      464.4293      -36.3  
1 1 1 1  2  43 o 17.54000       1.340000      670.4065      39.2   
1 1 1 1  2  44 o 7.649000       1.147000      480.5616      167.2  
1 1 1 1  2  45 o -0.7748000     1.106000      220.8158      -76.3  
1 1 1 1  2  46 o 16.87000       1.168000      513.2331      136.1  
1 1 1 1  2  47 o 10.11000       1.108000      346.0091      -62.8  
1 1 1 1  2  48 o 2.824000       1.070000      190.3676      -60.4  
1 1 1 1  2  49 o 3.837000       1.092000      294.6871      53.5   
1 1 1 1  2  50 o 2.181000       1.458000      267.3163      -137.7 
1 1 1 1  2  51 o 2.993000       1.498000      278.8734      -40.8  
1 1 1 1  2  52 o 30.97000       2.525000      805.7109      -68.0  
1 1 1 1  2  53 o 21.16000       2.699000      640.3742      -150.7 
1 1 1 1  2  54 o 16.31000       1.473000      567.6553      97.9   
1 1 1 1  2  55 o 3.082000       1.279000      219.8628      115.4  
1 1 1 1  2  56 o 3.057000       1.319000      276.2911      68.0   
1 1 1 1  2  57 o 14.08000       1.432000      451.7871      137.1  
1 1 1 1  2  58 o 28.70000       1.638000      678.8884      62.0   
1 1 1 1  2  59 o 3.015000       1.439000      231.9179      82.1   
1 1 1 1  2  60 o 2.968000       1.472000      130.7987      -106.3 
1 1 1 1  2  61 o 6.555000       1.519000      328.0898      -95.0  
1 1 1 1  2  62 o 0.2931000      1.471000      165.6453      -66.4  
1 1 1 1  2  63 o 2.621000       1.440000      ?             ?      
1 1 1 1  2  64 o 1.600000       1.404000      ?             ?      
1 1 1 1  2  65 o 1.476000       1.584000      ?             ?      
1 1 1 1  2  66 o 1.145000       1.826000      ?             ?      
1 1 1 1  2  67 o 10.15000       1.742000      ?             ?      
1 1 1 1  2  68 o 1.277000       1.683000      ?             ?      
1 1 1 1  2  69 o 2.230000       1.443000      ?             ?      
1 1 1 1  2  70 o 1.956000       1.431000      ?             ?      
1 1 1 1  2  71 o 1.600000       1.426000      ?             ?      
1 1 1 1  2  72 o 1.148000       1.433000      ?             ?      
1 1 1 1  2  73 o 2.976000       1.438000      ?             ?      
1 1 1 1  2  74 o 0.6787000      1.437000      ?             ?      
1 1 1 1  2  75 o 1.973000       1.464000      ?             ?      
1 1 1 1  2  76 o -1.460000      1.483000      ?             ?      
1 1 1 1  2  77 o 1.023000       1.508000      ?             ?      
1 1 1 1  3  0  o 0.3638000E-02  0.7740000E-01 220.4433      -90.0  
1 1 1 1  3  1  o 0.4152000      0.1170000     ?             ?      
1 1 1 1  3  3  o 12.19000       0.5297000     360.3541      144.3  
1 1 1 1  3  4  o 2.872000       0.1517000     235.9614      -79.4  
1 1 1 1  3  5  o 27.96000       0.6799000     391.0619      107.4  
1 1 1 1  3  6  o 19.26000       0.4366000     1735.122      160.0  
1 1 1 1  3  7  o 21.06000       0.4808000     868.9957      -71.9  
1 1 1 1  3  8  o 11.95000       0.3399000     761.6467      -141.8 
1 1 1 1  3  9  o 47.02000       0.9896000     1272.450      -173.3 
1 1 1 1  3  10 o 13.42000       0.4014000     691.3201      -35.3  
1 1 1 1  3  11 o 21.55000       0.5499000     468.1770      40.3   
1 1 1 1  3  12 o 4.860000       0.3344000     526.0989      -36.0  
1 1 1 1  3  13 o 32.36000       0.7702000     936.2471      -162.2 
1 1 1 1  3  14 o 52.69000       1.155000      1151.399      176.0  
1 1 1 1  3  15 o 26.85000       0.7088000     829.6987      11.4   
1 1 1 1  3  16 o 79.45000       1.930000      1276.537      -15.4  
1 1 1 1  3  17 o 23.31000       0.7918000     304.1945      -86.6  
1 1 1 1  3  18 o 38.92000       0.9544000     1001.172      -35.4  
1 1 1 1  3  19 o 20.35000       0.7664000     600.0417      -59.1  
1 1 1 1  3  20 o 26.10000       0.8966000     617.7085      -126.6 
1 1 1 1  3  21 o 6.831000       0.5367000     498.0890      43.1   
1 1 1 1  3  22 o 18.22000       0.6827000     557.8553      -126.1 
1 1 1 1  3  23 o 8.599000       0.5930000     265.5489      132.2  
1 1 1 1  3  24 o 10.17000       0.6278000     666.3876      169.6  
1 1 1 1  3  25 o 6.058000       0.6153000     246.4733      -109.6 
1 1 1 1  3  26 o 28.39000       0.9044000     417.9373      -129.3 
1 1 1 1  3  27 o 39.98000       1.119000      977.3194      156.8  
1 1 1 1  3  28 o 69.03000       1.641000      1303.296      145.8  
1 1 1 1  3  29 o 29.46000       1.022000      624.9910      -12.6  
1 1 1 1  3  30 o 17.40000       0.9084000     425.0990      -153.6 
1 1 1 1  3  31 o 9.947000       0.8929000     597.9514      172.4  
1 1 1 1  3  32 o 33.01000       1.195000      885.0822      -130.8 
1 1 1 1  3  33 o 11.18000       1.162000      564.8675      172.2  
1 1 1 1  3  34 o 14.49000       1.522000      328.9574      155.8  
1 1 1 1  3  35 o 3.346000       1.243000      152.5133      -63.4  
1 1 1 1  3  36 o 83.06000       2.455000      1100.983      177.7  
1 1 1 1  3  37 o 72.97000       2.805000      1065.125      20.4   
1 1 1 1  3  38 o 118.6000       3.166000      1451.400      54.0   
1 1 1 1  3  39 o 1.629000       1.182000      253.6083      73.5   
1 1 1 1  3  40 o 28.48000       1.413000      550.3519      -24.0  
1 1 1 1  3  41 o 23.87000       1.437000      643.9833      94.0   
1 1 1 1  3  42 o 107.0000       2.542000      1368.538      139.4  
1 1 1 1  3  43 o 32.18000       1.305000      816.3028      -139.2 
1 1 1 1  3  44 o 13.30000       1.191000      702.2375      61.8   
1 1 1 1  3  45 o 8.901000       1.057000      395.4155      -58.3  
1 1 1 1  3  46 o 38.45000       1.413000      784.4615      -150.3 
1 1 1 1  3  47 o 12.17000       1.125000      573.2817      16.6   
1 1 1 1  3  48 o 19.17000       1.189000      676.1470      146.8  
1 1 1 1  3  49 o 2.962000       1.080000      170.6548      -102.9 
1 1 1 1  3  50 o 3.053000       1.244000      250.6879      109.3  
1 1 1 1  3  51 o 33.80000       1.643000      642.2074      -1.0   
1 1 1 1  3  52 o 22.04000       1.546000      684.6834      -111.7 
1 1 1 1  3  53 o 11.20000       2.353000      504.6566      -53.3  
1 1 1 1  3  54 o 1.985000       1.437000      221.9418      -158.2 
1 1 1 1  3  55 o 0.9322000      1.463000      184.0920      145.2  
1 1 1 1  3  56 o 20.98000       1.573000      602.6057      -125.3 
1 1 1 1  3  57 o 27.46000       1.586000      680.3105      173.5  
1 1 1 1  3  58 o 1.637000       1.404000      148.8863      -29.4  
1 1 1 1  3  59 o 7.382000       1.444000      393.9469      -120.2 
1 1 1 1  3  60 o 4.772000       1.484000      352.6705      -4.8   
1 1 1 1  3  61 o -0.4376000     1.480000      135.9982      -46.2  
1 1 1 1  3  62 o 1.475000       1.467000      158.6633      -124.3 
1 1 1 1  3  63 o 13.69000       1.548000      ?             ?      
1 1 1 1  3  64 o -1.375000      1.434000      ?             ?      
1 1 1 1  3  65 o -1.580000      1.610000      ?             ?      
1 1 1 1  3  66 o 2.293000       1.629000      ?             ?      
1 1 1 1  3  67 o 0.4630000E-01  1.648000      ?             ?      
1 1 1 1  3  68 o 8.444000       2.179000      ?             ?      
1 1 1 1  3  69 o 1.666000       1.682000      ?             ?      
1 1 1 1  3  70 o 0.8450000      1.429000      ?             ?      
1 1 1 1  3  71 o 2.475000       1.438000      ?             ?      
1 1 1 1  3  72 o 1.826000       1.428000      ?             ?      
1 1 1 1  3  73 o 0.7085000      1.439000      ?             ?      
1 1 1 1  3  74 o -1.383000      1.433000      ?             ?      
1 1 1 1  3  75 o 0.4813000      1.447000      ?             ?      
1 1 1 1  3  76 o 1.972000       1.489000      ?             ?      
1 1 1 1  3  77 o -0.8070000     1.503000      ?             ?      
1 1 1 1  4  0  o -0.1094000     0.1077000     408.0269      -90.0  
1 1 1 1  4  1  o 1.721000       0.1105000     953.9996      -70.1  
1 1 1 1  4  3  o 87.37000       2.197000      1183.970      94.6   
1 1 1 1  4  4  o 38.49000       1.018000      734.8659      102.4  
1 1 1 1  4  5  o 41.00000       1.095000      623.3815      -146.3 
1 1 1 1  4  6  o 43.17000       0.9629000     1256.535      50.0   
1 1 1 1  4  7  o 8.366000       0.3240000     117.2444      -15.1  
1 1 1 1  4  8  o 84.94000       1.709000      1785.810      -50.2  
1 1 1 1  4  9  o 4.417000       0.2885000     199.7621      -58.9  
1 1 1 1  4  10 o 87.47000       1.774000      1852.696      -84.9  
1 1 1 1  4  11 o 201.8000       4.002000      2496.223      -70.8  
1 1 1 1  4  12 o 33.31000       0.7727000     1427.247      6.9    
1 1 1 1  4  13 o 8.521000       0.3953000     632.3796      -92.5  
1 1 1 1  4  14 o 63.66000       1.358000      1311.858      112.1  
1 1 1 1  4  15 o 124.0000       2.907000      1745.229      30.7   
1 1 1 1  4  16 o 2.472000       0.5323000     211.7340      -10.8  
1 1 1 1  4  17 o 56.56000       1.445000      1023.656      51.1   
1 1 1 1  4  18 o 52.19000       1.186000      979.3279      17.9   
1 1 1 1  4  19 o 7.891000       0.5920000     547.7116      70.6   
1 1 1 1  4  20 o 8.595000       0.7762000     414.3834      -162.9 
1 1 1 1  4  21 o 45.95000       1.289000      847.4007      47.5   
1 1 1 1  4  22 o 21.56000       0.7308000     751.4467      18.2   
1 1 1 1  4  23 o 178.0000       3.620000      1820.577      -84.9  
1 1 1 1  4  24 o 15.62000       0.6883000     554.1493      -26.7  
1 1 1 1  4  25 o 8.538000       0.6392000     404.7814      60.0   
1 1 1 1  4  26 o 25.96000       0.8750000     864.8239      -139.3 
1 1 1 1  4  27 o 164.1000       3.397000      1700.658      75.0   
1 1 1 1  4  28 o 169.7000       3.525000      1572.583      -141.7 
1 1 1 1  4  29 o 4.129000       0.7705000     103.6653      -164.8 
1 1 1 1  4  30 o 34.18000       1.220000      417.4143      44.1   
1 1 1 1  4  31 o 24.86000       1.052000      825.3610      -28.9  
1 1 1 1  4  32 o 19.39000       1.047000      1239.040      -123.7 
1 1 1 1  4  33 o 26.88000       1.349000      829.9524      119.7  
1 1 1 1  4  34 o 203.7000       5.535000      2055.120      -103.4 
1 1 1 1  4  35 o 6.376000       1.365000      635.6402      -8.4   
1 1 1 1  4  36 o 71.39000       2.225000      966.5172      117.5  
1 1 1 1  4  37 o 18.47000       1.459000      522.9966      -159.0 
1 1 1 1  4  38 o 98.04000       3.396000      1483.636      -40.8  
1 1 1 1  4  39 o 65.13000       2.124000      1312.464      15.5   
1 1 1 1  4  40 o 23.97000       1.231000      690.4572      123.3  
1 1 1 1  4  41 o 48.86000       1.548000      840.7006      -127.2 
1 1 1 1  4  42 o 24.09000       1.215000      793.0461      -30.7  
1 1 1 1  4  43 o 29.71000       1.275000      930.8046      164.7  
1 1 1 1  4  44 o 21.26000       1.168000      549.2073      140.3  
1 1 1 1  4  45 o 11.55000       1.078000      233.1555      76.8   
1 1 1 1  4  46 o 6.087000       1.052000      299.7169      -95.8  
1 1 1 1  4  47 o 34.37000       1.359000      937.0750      -70.1  
1 1 1 1  4  48 o 8.423000       1.095000      370.8998      127.7  
1 1 1 1  4  49 o 17.53000       1.357000      538.2151      -135.8 
1 1 1 1  4  50 o 3.135000       1.443000      307.1578      -8.1   
1 1 1 1  4  51 o 12.12000       1.334000      486.2774      -18.3  
1 1 1 1  4  52 o 17.56000       1.278000      486.8935      10.7   
1 1 1 1  4  53 o 12.97000       1.505000      583.4214      -94.6  
1 1 1 1  4  54 o 1.777000       2.095000      126.6152      21.1   
1 1 1 1  4  55 o 24.12000       1.712000      809.0901      -72.3  
1 1 1 1  4  56 o 8.848000       1.479000      351.3410      71.4   
1 1 1 1  4  57 o 74.11000       2.581000      ?             ?      
1 1 1 1  4  58 o 9.739000       1.645000      335.6714      45.5   
1 1 1 1  4  59 o 19.42000       1.582000      742.6517      80.2   
1 1 1 1  4  60 o 4.761000       1.511000      346.0942      83.9   
1 1 1 1  4  61 o 3.938000       1.520000      294.8985      80.9   
1 1 1 1  4  62 o 5.461000       1.511000      420.0695      -48.9  
1 1 1 1  4  63 o 4.415000       1.502000      ?             ?      
1 1 1 1  4  64 o 24.53000       1.884000      ?             ?      
1 1 1 1  4  65 o 2.788000       1.975000      ?             ?      
1 1 1 1  4  66 o 3.053000       1.520000      ?             ?      
1 1 1 1  4  67 o 2.711000       1.431000      ?             ?      
1 1 1 1  4  68 o 3.829000       1.734000      ?             ?      
1 1 1 1  4  69 o 1.065000       1.690000      ?             ?      
1 1 1 1  4  70 o -0.5934000     1.437000      ?             ?      
1 1 1 1  4  71 o 1.136000       1.438000      ?             ?      
1 1 1 1  4  72 o 3.210000       1.452000      ?             ?      
1 1 1 1  4  73 o -0.6959000     1.420000      ?             ?      
1 1 1 1  4  74 o 2.181000       1.446000      ?             ?      
1 1 1 1  4  75 o 0.5914000      1.458000      ?             ?      
1 1 1 1  4  76 o -0.3694000     1.502000      ?             ?      
1 1 1 1  4  77 o 1.449000       1.747000      ?             ?      
1 1 1 1  5  0  o 11.62000       0.3586000     216.1248      90.0   
1 1 1 1  5  1  o 52.15000       1.197000      809.0424      175.0  
1 1 1 1  5  2  o 97.61000       2.081000      745.0466      -123.0 
1 1 1 1  5  3  o 26.48000       0.7162000     528.6040      -164.0 
1 1 1 1  5  4  o 37.97000       0.8960000     761.1021      100.9  
1 1 1 1  5  5  o 164.9000       3.756000      2159.178      126.5  
1 1 1 1  5  6  o 70.56000       1.643000      992.5087      -85.7  
1 1 1 1  5  7  o 59.11000       1.206000      1064.080      -95.7  
1 1 1 1  5  8  o 116.7000       2.327000      1512.201      -8.6   
1 1 1 1  5  9  f 281.6000       5.547000      2534.765      7.5    
1 1 1 1  5  10 o 322.1000       6.346000      3645.149      -24.5  
1 1 1 1  5  11 o 35.33000       0.7962000     1159.054      -173.2 
1 1 1 1  5  12 o 20.14000       0.5440000     651.2304      159.7  
1 1 1 1  5  13 o 82.14000       1.697000      1346.826      -173.9 
1 1 1 1  5  14 o 24.75000       0.6524000     936.4522      144.3  
1 1 1 1  5  15 o 59.67000       1.485000      928.3910      59.3   
1 1 1 1  5  16 o 42.68000       1.158000      1064.542      103.6  
1 1 1 1  5  17 o 10.11000       0.4947000     440.6459      -105.4 
1 1 1 1  5  18 o 7.443000       0.4761000     452.1581      -118.1 
1 1 1 1  5  19 o 30.11000       0.8766000     976.1938      -173.3 
1 1 1 1  5  20 o 101.2000       2.462000      1253.386      -177.8 
1 1 1 1  5  21 o 49.66000       1.374000      887.6912      2.3    
1 1 1 1  5  22 o 42.09000       1.146000      844.7231      -128.2 
1 1 1 1  5  23 o 94.66000       2.028000      1130.313      119.8  
1 1 1 1  5  24 o 98.81000       2.114000      1358.330      -154.4 
1 1 1 1  5  25 o 10.64000       0.6646000     608.3712      151.3  
1 1 1 1  5  26 o 138.5000       2.897000      1556.461      -20.1  
1 1 1 1  5  27 o 6.197000       0.7048000     205.2023      -100.2 
1 1 1 1  5  28 o 8.277000       0.7646000     342.6966      128.2  
1 1 1 1  5  29 o 13.65000       0.8670000     596.7202      -137.3 
1 1 1 1  5  30 o 144.8000       3.080000      1905.774      -9.6   
1 1 1 1  5  31 o 197.0000       4.082000      2009.846      -23.3  
1 1 1 1  5  32 o 185.9000       4.487000      2149.770      -162.9 
1 1 1 1  5  33 o 97.51000       4.473000      1471.094      0.6    
1 1 1 1  5  34 o 158.0000       4.429000      1702.562      2.7    
1 1 1 1  5  35 o 9.941000       1.147000      335.5367      89.7   
1 1 1 1  5  36 o 34.46000       1.624000      841.6492      81.1   
1 1 1 1  5  37 o 381.1000       8.899000      2682.149      95.4   
1 1 1 1  5  38 o 206.7000       6.195000      2182.069      104.6  
1 1 1 1  5  39 o 6.913000       1.264000      193.2603      -4.0   
1 1 1 1  5  40 o 64.60000       1.787000      930.7914      -170.2 
1 1 1 1  5  41 o 28.23000       1.259000      749.4183      86.2   
1 1 1 1  5  42 o 66.20000       1.811000      1157.398      46.2   
1 1 1 1  5  43 o 26.37000       1.230000      775.9615      -104.1 
1 1 1 1  5  44 o 30.26000       1.279000      699.0294      22.0   
1 1 1 1  5  45 o 14.73000       1.103000      653.8786      -118.8 
1 1 1 1  5  46 o 28.27000       1.273000      612.7925      160.5  
1 1 1 1  5  47 o 28.23000       1.281000      837.8896      -4.2   
1 1 1 1  5  48 o 14.10000       1.147000      505.5866      -159.0 
1 1 1 1  5  49 o 107.9000       3.010000      1532.904      -14.9  
1 1 1 1  5  50 o 9.738000       1.292000      456.1351      60.0   
1 1 1 1  5  51 o 23.19000       1.303000      797.9254      12.8   
1 1 1 1  5  52 o 7.374000       1.173000      377.3259      -61.4  
1 1 1 1  5  53 o 10.76000       1.361000      456.3259      41.1   
1 1 1 1  5  54 o 0.2871000      1.784000      252.2599      110.1  
1 1 1 1  5  55 o 10.72000       1.510000      463.1042      -131.0 
1 1 1 1  5  56 o 3.367000       1.323000      387.4738      -169.9 
1 1 1 1  5  57 o 48.06000       2.126000      902.4787      146.3  
1 1 1 1  5  58 o 6.921000       1.642000      240.3451      -147.2 
1 1 1 1  5  59 o 19.73000       1.826000      681.3647      -148.8 
1 1 1 1  5  60 o 8.201000       2.019000      462.0035      28.7   
1 1 1 1  5  61 o 17.25000       1.658000      602.5909      152.2  
1 1 1 1  5  62 o 27.32000       1.717000      822.3323      174.6  
1 1 1 1  5  63 o 5.519000       1.493000      ?             ?      
1 1 1 1  5  64 o 14.19000       1.776000      ?             ?      
1 1 1 1  5  65 o 6.326000       1.660000      ?             ?      
1 1 1 1  5  66 o 25.25000       1.633000      ?             ?      
1 1 1 1  5  67 o 2.470000       1.428000      ?             ?      
1 1 1 1  5  68 o 16.27000       1.835000      ?             ?      
1 1 1 1  5  69 o 10.24000       2.200000      ?             ?      
1 1 1 1  5  70 o 3.745000       1.578000      ?             ?      
1 1 1 1  5  71 o -0.3623000     1.433000      ?             ?      
1 1 1 1  5  72 o 7.558000       1.490000      ?             ?      
1 1 1 1  5  73 o -0.7797000     1.435000      ?             ?      
1 1 1 1  5  74 o -0.9918000     1.451000      ?             ?      
1 1 1 1  5  76 o 2.029000       1.520000      ?             ?      
1 1 1 1  5  77 o 3.264000       1.742000      ?             ?      
1 1 1 1  6  0  o 135.3000       3.762000      702.0943      90.0   
1 1 1 1  6  1  o 195.1000       4.125000      1534.693      131.1  
1 1 1 1  6  2  o 65.16000       1.497000      992.5480      -59.5  
1 1 1 1  6  3  o 54.44000       1.337000      587.1281      107.3  
1 1 1 1  6  4  o 36.62000       0.8691000     574.9724      -157.3 
1 1 1 1  6  5  o 46.34000       1.095000      1339.901      100.6  
1 1 1 1  6  6  o 166.4000       3.798000      1916.226      42.7   
1 1 1 1  6  7  o 343.0000       7.288000      2576.415      65.4   
1 1 1 1  6  8  o 127.3000       2.535000      1574.248      -36.2  
1 1 1 1  6  9  o 69.19000       1.416000      1160.726      58.6   
1 1 1 1  6  10 o 103.5000       2.086000      1475.845      1.4    
1 1 1 1  6  11 o 403.6000       7.940000      3057.506      82.3   
1 1 1 1  6  12 o 328.8000       6.484000      2556.811      -71.8  
1 1 1 1  6  13 o 70.60000       1.478000      1333.107      89.9   
1 1 1 1  6  14 o 26.40000       0.7724000     522.6926      96.8   
1 1 1 1  6  15 o 142.0000       4.029000      1601.028      -90.2  
1 1 1 1  6  16 o 94.77000       2.261000      1179.273      131.7  
1 1 1 1  6  17 o 18.09000       0.5937000     364.4837      13.2   
1 1 1 1  6  18 o 13.59000       0.5510000     408.3175      -35.9  
1 1 1 1  6  19 o 52.06000       1.195000      1224.311      133.2  
1 1 1 1  6  20 o 12.41000       0.6883000     620.3728      -39.1  
1 1 1 1  6  21 o 49.63000       1.705000      1011.312      6.5    
1 1 1 1  6  22 o 40.25000       1.200000      1127.660      145.1  
1 1 1 1  6  23 o 171.4000       3.495000      1966.271      31.7   
1 1 1 1  6  24 o 210.8000       4.261000      1880.640      -65.0  
1 1 1 1  6  25 o 7.405000       0.6430000     247.8104      -6.1   
1 1 1 1  6  26 o 19.74000       0.8134000     1099.562      -55.7  
1 1 1 1  6  27 o 39.43000       1.125000      411.9340      -17.9  
1 1 1 1  6  28 o 272.2000       5.489000      2088.579      107.7  
1 1 1 1  6  29 o 370.2000       7.404000      2845.948      70.5   
1 1 1 1  6  30 o 55.69000       1.611000      1443.281      -27.0  
1 1 1 1  6  31 o 34.54000       1.400000      592.7408      112.3  
1 1 1 1  6  32 o 12.62000       1.162000      638.4300      146.9  
1 1 1 1  6  33 o 34.21000       2.534000      520.3689      151.1  
1 1 1 1  6  34 o 104.8000       2.872000      1065.749      -67.5  
1 1 1 1  6  35 o 28.46000       1.309000      586.9281      34.1   
1 1 1 1  6  36 o 134.2000       2.997000      1682.958      -160.2 
1 1 1 1  6  37 o 134.9000       3.020000      1624.064      -123.0 
1 1 1 1  6  38 o 58.61000       2.009000      761.1884      -63.6  
1 1 1 1  6  39 o 9.918000       1.275000      714.6915      82.9   
1 1 1 1  6  40 o 76.68000       1.977000      1250.637      126.0  
1 1 1 1  6  41 o 61.21000       1.722000      1308.208      140.1  
1 1 1 1  6  42 o 26.06000       1.225000      686.1970      108.8  
1 1 1 1  6  43 o 93.66000       2.273000      1572.341      -162.0 
1 1 1 1  6  44 o 5.084000       1.040000      323.9526      -20.0  
1 1 1 1  6  45 o 13.81000       1.098000      402.1316      -118.5 
1 1 1 1  6  46 o 60.16000       1.731000      1101.000      52.7   
1 1 1 1  6  47 o 39.85000       1.445000      884.5354      31.2   
1 1 1 1  6  48 o 44.50000       1.738000      943.2466      79.5   
1 1 1 1  6  49 f 110.3000       3.658000      ?             ?      
1 1 1 1  6  50 o 14.97000       1.337000      662.5952      50.1   
1 1 1 1  6  51 o 22.81000       1.288000      734.6181      64.0   
1 1 1 1  6  52 o 2.942000       1.144000      275.9008      143.2  
1 1 1 1  6  53 o 12.48000       1.252000      510.8822      69.6   
1 1 1 1  6  54 o 9.215000       1.502000      398.9137      -35.7  
1 1 1 1  6  55 o 3.021000       1.482000      140.9614      62.0   
1 1 1 1  6  56 o 6.440000       1.352000      372.1347      67.1   
1 1 1 1  6  57 o 34.55000       1.664000      760.3776      62.6   
1 1 1 1  6  58 o 53.79000       1.998000      1088.422      -105.8 
1 1 1 1  6  60 o 56.87000       2.397000      ?             ?      
1 1 1 1  6  61 o 17.05000       1.768000      524.5654      89.7   
1 1 1 1  6  62 o 19.20000       1.867000      ?             ?      
1 1 1 1  6  63 o 10.13000       1.718000      ?             ?      
1 1 1 1  6  64 o 24.97000       2.258000      ?             ?      
1 1 1 1  6  65 o 4.137000       1.659000      ?             ?      
1 1 1 1  6  66 o 6.548000       1.447000      ?             ?      
1 1 1 1  6  67 o 5.433000       1.461000      ?             ?      
1 1 1 1  6  68 o 4.258000       1.478000      ?             ?      
1 1 1 1  6  69 o 6.294000       1.970000      ?             ?      
1 1 1 1  6  71 o 2.974000       1.442000      ?             ?      
1 1 1 1  6  72 o 3.628000       1.447000      ?             ?      
1 1 1 1  6  73 o -0.3019000     1.462000      ?             ?      
1 1 1 1  6  74 o 4.648000       1.485000      ?             ?      
1 1 1 1  6  75 o 0.5375000E-01  1.476000      ?             ?      
1 1 1 1  6  76 o 0.9097000      1.689000      ?             ?      
1 1 1 1  6  77 o -3.446000      2.862000      ?             ?      
1 1 1 1  7  0  o 3.502000       0.2199000     108.0060      90.0   
1 1 1 1  7  1  o 108.0000       2.134000      1002.562      51.9   
1 1 1 1  7  2  o 259.4000       5.502000      2545.803      -168.8 
1 1 1 1  7  3  o 16.95000       0.4387000     1066.363      25.9   
1 1 1 1  7  4  o 6.859000       0.3071000     134.4561      -64.5  
1 1 1 1  7  5  o 40.59000       0.9740000     252.9333      -149.1 
1 1 1 1  7  6  o 194.3000       4.425000      2211.043      66.7   
1 1 1 1  7  7  o 138.0000       3.167000      1688.292      173.7  
1 1 1 1  7  8  o 162.2000       3.219000      1609.764      58.1   
1 1 1 1  7  9  o 427.6000       8.401000      2770.695      15.3   
1 1 1 1  7  10 o 270.1000       5.328000      2601.924      -168.8 
1 1 1 1  7  11 o 205.1000       4.069000      1883.523      75.2   
1 1 1 1  7  12 o 40.59000       0.9081000     976.8770      59.8   
1 1 1 1  7  13 o 90.40000       1.856000      1223.923      -18.6  
1 1 1 1  7  14 o 152.4000       3.524000      1748.263      -176.7 
1 1 1 1  7  15 o 7.171000       0.5128000     376.9857      118.7  
1 1 1 1  7  16 o 66.24000       1.427000      756.9278      131.8  
1 1 1 1  7  17 o 100.8000       2.085000      1383.661      -41.7  
1 1 1 1  7  18 o 447.2000       8.824000      3063.794      158.7  
1 1 1 1  7  19 o 13.42000       0.5682000     264.0369      -64.7  
1 1 1 1  7  20 o 6.673000       0.5231000     444.4498      -143.8 
1 1 1 1  7  21 o 43.56000       1.266000      1067.139      -134.9 
1 1 1 1  7  22 o 218.9000       5.097000      1440.958      151.2  
1 1 1 1  7  23 o 82.27000       1.806000      1465.579      123.2  
1 1 1 1  7  24 o 277.0000       5.546000      2296.296      -171.1 
1 1 1 1  7  25 o 230.9000       4.661000      2554.927      105.9  
1 1 1 1  7  26 o 394.8000       7.854000      3178.406      -19.8  
1 1 1 1  7  27 o 5.835000       0.7323000     302.6459      78.8   
1 1 1 1  7  28 o 153.3000       3.719000      1392.464      21.2   
1 1 1 1  7  29 o 87.79000       2.190000      1393.132      46.0   
1 1 1 1  7  30 o 61.25000       1.589000      743.0974      -51.4  
1 1 1 1  7  31 o 71.39000       2.349000      1437.683      146.2  
1 1 1 1  7  32 o 27.12000       1.950000      467.6739      -158.2 
1 1 1 1  7  33 o 243.0000       5.767000      1917.901      36.9   
1 1 1 1  7  34 o 322.7000       6.549000      2166.798      -13.4  
1 1 1 1  7  35 o 87.17000       2.163000      1393.854      29.9   
1 1 1 1  7  36 o 43.58000       1.472000      810.1985      165.0  
1 1 1 1  7  37 o 152.7000       3.332000      2043.942      93.9   
1 1 1 1  7  38 o 44.36000       1.745000      873.3270      118.0  
1 1 1 1  7  39 o 22.01000       1.768000      674.4153      -125.4 
1 1 1 1  7  40 o 4.779000       1.220000      304.7550      19.1   
1 1 1 1  7  41 o 49.52000       1.543000      904.0915      67.0   
1 1 1 1  7  42 o 6.513000       1.036000      269.7355      -121.7 
1 1 1 1  7  43 o 45.16000       1.476000      926.2464      -46.8  
1 1 1 1  7  44 o 42.03000       1.436000      735.8553      -160.9 
1 1 1 1  7  45 o 9.072000       1.072000      310.8230      -79.9  
1 1 1 1  7  46 o 76.71000       2.017000      1233.319      127.0  
1 1 1 1  7  47 o 33.41000       1.354000      910.0717      48.8   
1 1 1 1  7  48 o 42.83000       1.715000      996.5687      8.2    
1 1 1 1  7  49 o 35.35000       1.615000      893.8339      110.7  
1 1 1 1  7  50 o 2.946000       1.191000      282.2420      129.4  
1 1 1 1  7  51 o 2.315000       1.122000      183.0094      -11.3  
1 1 1 1  7  52 o 7.937000       1.188000      445.7048      145.5  
1 1 1 1  7  53 o 36.13000       1.521000      656.9285      159.1  
1 1 1 1  7  54 o 37.02000       1.848000      1004.790      175.3  
1 1 1 1  7  55 o 53.39000       2.672000      1040.302      172.6  
1 1 1 1  7  56 o 85.00000       2.741000      ?             ?      
1 1 1 1  7  57 o 6.487000       1.407000      216.2035      84.7   
1 1 1 1  7  58 o 21.98000       1.592000      885.6485      -157.9 
1 1 1 1  7  59 o 47.64000       1.949000      1087.609      -3.8   
1 1 1 1  7  61 o 34.18000       1.920000      888.3543      173.5  
1 1 1 1  7  62 o 1.751000       1.641000      ?             ?      
1 1 1 1  7  63 o 10.07000       1.708000      ?             ?      
1 1 1 1  7  64 o 10.37000       2.011000      ?             ?      
1 1 1 1  7  65 o -0.3817000     1.522000      ?             ?      
1 1 1 1  7  66 o 11.81000       1.479000      ?             ?      
1 1 1 1  7  67 o 17.43000       1.560000      ?             ?      
1 1 1 1  7  68 o 6.961000       1.472000      ?             ?      
1 1 1 1  7  69 o 0.2428000      1.676000      ?             ?      
1 1 1 1  7  70 o 3.695000       1.687000      ?             ?      
1 1 1 1  7  71 o 0.4098000      1.432000      ?             ?      
1 1 1 1  7  72 f 3.331000       1.464000      ?             ?      
1 1 1 1  7  74 o 2.892000       1.485000      ?             ?      
1 1 1 1  7  75 o 4.450000       1.521000      ?             ?      
1 1 1 1  7  76 o 4.487000       1.737000      ?             ?      
1 1 1 1  8  0  o 42.98000       1.427000      39.23718      90.0   
1 1 1 1  8  1  o 328.9000       6.454000      1422.735      110.7  
1 1 1 1  8  2  o 112.5000       2.399000      1287.288      62.9   
1 1 1 1  8  3  o 87.26000       1.871000      1353.209      133.0  
1 1 1 1  8  4  o 191.7000       4.653000      1476.625      -30.3  
1 1 1 1  8  5  o 31.33000       0.8882000     541.2840      147.9  
1 1 1 1  8  6  o 214.8000       4.891000      2005.120      66.8   
1 1 1 1  8  7  o 102.2000       2.365000      1971.006      107.0  
1 1 1 1  8  8  o 586.6000       12.43000      3437.615      -85.3  
1 1 1 1  8  9  o 1136.000       22.25000      4251.931      104.2  
1 1 1 1  8  10 o 17.31000       0.6852000     330.5973      -157.9 
1 1 1 1  8  11 o 52.88000       1.127000      1344.162      -75.0  
1 1 1 1  8  12 o 372.0000       7.329000      2608.478      44.6   
1 1 1 1  8  13 o 106.5000       2.492000      1552.704      1.3    
1 1 1 1  8  14 o 24.69000       0.8652000     1017.725      -121.6 
1 1 1 1  8  15 o 304.1000       6.942000      2434.568      -115.8 
1 1 1 1  8  16 o 5.240000       0.4233000     145.4509      -39.2  
1 1 1 1  8  17 o 12.30000       0.5155000     694.8496      -84.7  
1 1 1 1  8  18 o 19.51000       0.6372000     427.5223      17.5   
1 1 1 1  8  19 o 51.91000       1.194000      928.8055      -154.5 
1 1 1 1  8  20 o 111.7000       2.324000      1436.344      -140.4 
1 1 1 1  8  21 o 11.22000       0.7113000     225.0263      1.3    
1 1 1 1  8  22 o 126.4000       3.745000      1171.856      108.9  
1 1 1 1  8  23 o 54.62000       1.515000      1158.143      27.9   
1 1 1 1  8  24 o 38.21000       1.044000      747.0384      -98.7  
1 1 1 1  8  25 o 75.44000       1.861000      921.1020      78.8   
1 1 1 1  8  26 o 72.70000       1.954000      1236.694      -178.9 
1 1 1 1  8  27 o 545.2000       10.79000      3065.681      81.6   
1 1 1 1  8  28 o 145.5000       3.562000      2286.002      110.2  
1 1 1 1  8  29 o 72.00000       2.031000      1260.604      -13.7  
1 1 1 1  8  30 o 139.3000       2.986000      1586.779      155.3  
1 1 1 1  8  31 o 118.2000       2.996000      1472.340      -120.7 
1 1 1 1  8  32 o 32.69000       2.379000      770.6477      97.3   
1 1 1 1  8  33 o 17.26000       1.149000      497.3620      138.2  
1 1 1 1  8  34 o 448.7000       8.981000      2851.043      -55.5  
1 1 1 1  8  35 o 166.3000       3.584000      1510.597      85.9   
1 1 1 1  8  36 o 182.6000       3.883000      1508.550      -155.1 
1 1 1 1  8  37 o 219.0000       4.573000      2211.475      -72.3  
1 1 1 1  8  38 o 155.5000       3.379000      1620.453      107.4  
1 1 1 1  8  39 o 123.0000       3.255000      1107.774      -138.0 
1 1 1 1  8  40 o 70.02000       2.177000      865.5062      138.3  
1 1 1 1  8  41 o 126.8000       2.860000      1582.510      121.4  
1 1 1 1  8  42 o 16.13000       1.116000      677.3519      -30.8  
1 1 1 1  8  43 o 58.41000       1.815000      1024.217      136.0  
1 1 1 1  8  44 o 107.7000       2.535000      1555.458      108.5  
1 1 1 1  8  45 o 125.2000       2.859000      1635.241      -71.6  
1 1 1 1  8  47 o 32.88000       1.520000      553.4938      174.5  
1 1 1 1  8  48 o 10.01000       1.431000      492.1133      -128.8 
1 1 1 1  8  49 o 4.815000       1.205000      277.5718      112.5  
1 1 1 1  8  50 o 8.396000       1.140000      383.0862      120.2  
1 1 1 1  8  51 o 6.575000       1.143000      222.9388      8.9    
1 1 1 1  8  52 o 9.308000       1.204000      320.7872      -110.1 
1 1 1 1  8  53 o 12.43000       1.257000      620.4742      106.4  
1 1 1 1  8  55 o 17.55000       1.664000      574.9772      -164.8 
1 1 1 1  8  56 o 44.94000       2.053000      1084.025      -70.3  
1 1 1 1  8  58 o 15.90000       1.545000      639.5512      -168.4 
1 1 1 1  8  59 o 13.28000       1.546000      457.3126      -75.8  
1 1 1 1  8  60 o 28.70000       1.725000      904.2730      -107.7 
1 1 1 1  8  61 o 4.155000       1.497000      204.4068      93.9   
1 1 1 1  8  62 o 12.31000       1.723000      ?             ?      
1 1 1 1  8  63 o 8.566000       1.943000      ?             ?      
1 1 1 1  8  64 o 5.243000       1.595000      ?             ?      
1 1 1 1  8  65 o 4.398000       1.544000      ?             ?      
1 1 1 1  8  66 o 5.419000       1.600000      ?             ?      
1 1 1 1  8  67 o 1.476000       1.630000      ?             ?      
1 1 1 1  8  68 o 0.4162000      1.431000      ?             ?      
1 1 1 1  8  69 o 4.885000       1.707000      ?             ?      
1 1 1 1  8  70 o 4.730000       2.105000      ?             ?      
1 1 1 1  8  71 o -0.1826000     1.656000      ?             ?      
1 1 1 1  8  72 o 1.732000       1.453000      ?             ?      
1 1 1 1  8  75 o 3.280000       1.500000      ?             ?      
1 1 1 1  8  76 o 1.347000       1.745000      ?             ?      
1 1 1 1  9  0  o 121.7000       3.402000      1168.909      90.0   
1 1 1 1  9  1  o 337.6000       6.624000      2859.092      133.5  
1 1 1 1  9  2  o 203.9000       4.012000      1642.050      158.3  
1 1 1 1  9  3  o 54.50000       1.193000      660.6898      -106.2 
1 1 1 1  9  4  o 2.343000       0.1355000     611.2138      -91.2  
1 1 1 1  9  5  o 203.5000       4.887000      1949.542      139.4  
1 1 1 1  9  6  f 21.39000       0.5784000     748.5812      89.8   
1 1 1 1  9  7  o 30.74000       0.7909000     280.2825      -133.8 
1 1 1 1  9  8  o 181.8000       4.165000      2261.687      -20.3  
1 1 1 1  9  9  o 433.7000       8.528000      3399.880      10.1   
1 1 1 1  9  10 o 477.7000       9.388000      2754.764      155.9  
1 1 1 1  9  11 o 244.3000       4.831000      2102.132      91.5   
1 1 1 1  9  12 o 88.47000       1.815000      1795.239      118.2  
1 1 1 1  9  13 o 144.4000       3.337000      1319.946      -157.8 
1 1 1 1  9  14 o 9.214000       0.5086000     476.5045      47.5   
1 1 1 1  9  15 o 7.096000       0.4269000     314.8803      -66.8  
1 1 1 1  9  16 o 81.31000       1.710000      1126.756      -133.7 
1 1 1 1  9  17 o 64.95000       1.413000      958.7615      20.1   
1 1 1 1  9  18 o 158.7000       3.211000      1889.938      134.1  
1 1 1 1  9  19 o 170.1000       3.438000      1965.145      -25.7  
1 1 1 1  9  20 o 136.7000       2.802000      1707.316      36.0   
1 1 1 1  9  21 o 116.7000       2.436000      1187.921      -62.3  
1 1 1 1  9  22 o 334.7000       8.697000      1749.244      173.4  
1 1 1 1  9  23 o 16.32000       0.8470000     795.8512      158.5  
1 1 1 1  9  24 f 167.8000       3.720000      1593.750      -174.5 
1 1 1 1  9  25 o 1204.000       23.65000      ?             ?      
1 1 1 1  9  26 o 732.1000       16.67000      3739.925      -43.1  
1 1 1 1  9  27 o 175.2000       3.919000      1981.424      149.0  
1 1 1 1  9  28 o 179.9000       3.722000      2324.432      43.7   
1 1 1 1  9  29 o 22.00000       1.001000      820.7398      112.4  
1 1 1 1  9  30 o 92.58000       2.156000      1228.842      -33.0  
1 1 1 1  9  31 f 64.97000       2.290000      881.0137      17.1   
1 1 1 1  9  32 o 204.8000       4.903000      1891.719      61.1   
1 1 1 1  9  33 o 41.59000       1.404000      851.4318      135.1  
1 1 1 1  9  34 o 168.0000       3.596000      1382.864      164.5  
1 1 1 1  9  35 o 369.8000       7.450000      2806.639      27.7   
1 1 1 1  9  36 o 63.35000       1.758000      879.7147      -175.7 
1 1 1 1  9  37 o 117.9000       2.686000      1235.388      137.2  
1 1 1 1  9  38 o 8.776000       1.060000      228.0897      85.2   
1 1 1 1  9  39 o 37.34000       1.623000      828.8486      -99.7  
1 1 1 1  9  40 o 37.35000       2.049000      950.3350      66.3   
1 1 1 1  9  41 o 17.23000       1.323000      471.9664      105.1  
1 1 1 1  9  42 o 161.9000       3.515000      1846.431      -176.6 
1 1 1 1  9  43 o 8.816000       1.062000      295.5279      -58.0  
1 1 1 1  9  44 o 14.87000       1.107000      418.1137      -111.0 
1 1 1 1  9  45 o 65.08000       1.816000      1111.588      -90.6  
1 1 1 1  9  46 o 194.0000       4.141000      ?             ?      
1 1 1 1  9  47 o 69.59000       2.172000      1248.806      174.3  
1 1 1 1  9  48 o 18.65000       1.353000      723.7114      137.4  
1 1 1 1  9  49 o 85.90000       2.230000      1387.191      121.1  
1 1 1 1  9  50 o 56.39000       1.754000      1107.188      -19.6  
1 1 1 1  9  51 o 32.92000       1.423000      887.5052      173.5  
1 1 1 1  9  52 o 73.11000       2.066000      1228.181      -17.2  
1 1 1 1  9  53 o 11.79000       1.356000      397.7963      119.7  
1 1 1 1  9  54 o 37.72000       1.590000      861.2305      -164.7 
1 1 1 1  9  55 o 25.05000       1.771000      749.3269      36.9   
1 1 1 1  9  57 o 10.15000       1.658000      566.2645      -53.8  
1 1 1 1  9  58 o 1.164000       1.441000      221.4982      137.5  
1 1 1 1  9  59 o 14.88000       1.561000      558.0009      24.8   
1 1 1 1  9  60 o 6.052000       1.502000      225.2511      107.7  
1 1 1 1  9  61 o 4.748000       1.484000      299.5755      -66.9  
1 1 1 1  9  62 o 7.792000       1.677000      ?             ?      
1 1 1 1  9  63 o 14.38000       1.717000      ?             ?      
1 1 1 1  9  64 o 9.915000       1.461000      ?             ?      
1 1 1 1  9  65 o 7.943000       1.422000      ?             ?      
1 1 1 1  9  66 f 1.961000       1.602000      ?             ?      
1 1 1 1  9  67 o 11.11000       1.716000      ?             ?      
1 1 1 1  9  68 o 3.355000       1.664000      ?             ?      
1 1 1 1  9  69 o 0.6367000      1.618000      ?             ?      
1 1 1 1  9  70 o 1.810000       1.679000      ?             ?      
1 1 1 1  9  71 o 5.387000       1.704000      ?             ?      
1 1 1 1  9  72 o 8.518000       1.512000      ?             ?      
1 1 1 1  9  73 o 2.361000       1.479000      ?             ?      
1 1 1 1  9  74 o 1.308000       1.490000      ?             ?      
1 1 1 1  9  75 o -0.9856000     1.689000      ?             ?      
1 1 1 1  9  76 o 0.5353000      2.916000      ?             ?      
1 1 1 1  10 0  o 22.78000       0.7160000     1362.908      -90.0  
1 1 1 1  10 1  o 571.1000       11.19000      3271.082      100.5  
1 1 1 1  10 2  o 77.51000       1.554000      1381.636      -65.4  
1 1 1 1  10 3  o 68.75000       1.496000      1575.035      -116.5 
1 1 1 1  10 4  o 335.0000       7.112000      2480.150      -54.7  
1 1 1 1  10 5  o 463.3000       11.15000      2920.405      87.6   
1 1 1 1  10 6  o 249.4000       6.355000      1448.373      19.1   
1 1 1 1  10 7  o 15.77000       0.4917000     691.9294      36.9   
1 1 1 1  10 8  o 115.4000       2.677000      1191.653      -166.4 
1 1 1 1  10 9  o 86.41000       1.901000      1494.206      -124.2 
1 1 1 1  10 10 o 205.5000       4.073000      1854.548      -120.7 
1 1 1 1  10 11 o 29.09000       0.6943000     345.0571      -46.5  
1 1 1 1  10 12 o 115.6000       2.687000      1508.929      2.8    
1 1 1 1  10 13 o 329.0000       9.152000      1964.064      -125.9 
1 1 1 1  10 14 o 154.1000       3.565000      1660.308      -106.6 
1 1 1 1  10 15 o 183.1000       3.665000      1950.490      -62.7  
1 1 1 1  10 16 o 85.18000       1.787000      990.3232      2.2    
1 1 1 1  10 17 o 25.45000       0.7165000     814.6238      174.6  
1 1 1 1  10 18 o 6.630000       0.4851000     130.3561      -111.4 
1 1 1 1  10 19 o 252.8000       5.045000      2194.798      -149.4 
1 1 1 1  10 20 o 359.0000       8.226000      2698.849      110.1  
1 1 1 1  10 21 o 194.4000       4.545000      1978.537      -25.7  
1 1 1 1  10 22 o 111.7000       2.729000      871.8803      163.7  
1 1 1 1  10 23 o 306.2000       8.674000      2946.000      -79.3  
1 1 1 1  10 24 o 17.91000       1.178000      997.2852      98.2   
1 1 1 1  10 25 o 112.9000       2.426000      1302.700      -75.9  
1 1 1 1  10 26 o 78.95000       1.805000      1504.961      -129.8 
1 1 1 1  10 27 o 104.2000       2.289000      1691.999      30.3   
1 1 1 1  10 28 o 956.0000       18.81000      4232.034      122.4  
1 1 1 1  10 29 o 98.57000       2.223000      1313.556      103.5  
1 1 1 1  10 30 o 20.09000       1.149000      1365.472      -126.3 
1 1 1 1  10 31 o 503.7000       14.12000      3594.772      77.8   
1 1 1 1  10 32 o 507.7000       10.13000      3323.185      -90.8  
1 1 1 1  10 33 o 202.1000       4.220000      2214.557      -140.3 
1 1 1 1  10 34 o 121.9000       2.743000      1343.740      61.6   
1 1 1 1  10 35 o 283.5000       5.787000      2411.003      -140.2 
1 1 1 1  10 36 o 301.3000       6.140000      2320.320      -91.3  
1 1 1 1  10 37 o 214.1000       4.466000      1682.334      -43.8  
1 1 1 1  10 38 o 169.6000       3.633000      1748.405      -97.2  
1 1 1 1  10 39 o 127.0000       2.862000      1411.190      -162.4 
1 1 1 1  10 40 o 7.713000       1.464000      78.66044      -75.9  
1 1 1 1  10 41 o 23.92000       1.416000      879.9193      -60.5  
1 1 1 1  10 42 o 28.87000       1.273000      665.4566      49.2   
1 1 1 1  10 43 o 251.2000       5.209000      ?             ?      
1 1 1 1  10 44 o 64.19000       1.781000      1028.256      9.0    
1 1 1 1  10 45 o 27.76000       1.262000      740.6220      -136.3 
1 1 1 1  10 46 o 17.06000       1.307000      558.1185      -176.2 
1 1 1 1  10 47 o 160.5000       4.913000      ?             ?      
1 1 1 1  10 48 o 22.09000       1.376000      877.5021      -54.3  
1 1 1 1  10 49 o 127.5000       2.949000      ?             ?      
1 1 1 1  10 50 o 20.61000       1.269000      702.4728      -139.8 
1 1 1 1  10 51 o 15.15000       1.237000      607.6467      -60.2  
1 1 1 1  10 52 o 8.253000       1.226000      463.5825      159.4  
1 1 1 1  10 53 o 36.92000       1.552000      766.8614      100.1  
1 1 1 1  10 54 o 31.03000       1.513000      773.2546      -79.0  
1 1 1 1  10 55 o 6.937000       1.313000      467.6174      -21.0  
1 1 1 1  10 56 o 64.29000       2.492000      ?             ?      
1 1 1 1  10 57 o 13.80000       1.703000      434.5727      77.3   
1 1 1 1  10 58 o 2.410000       1.437000      179.2053      65.2   
1 1 1 1  10 59 o 1.891000       1.469000      125.5679      -126.5 
1 1 1 1  10 60 o 37.00000       1.790000      912.3218      -79.5  
1 1 1 1  10 61 o 10.46000       1.701000      537.9454      -126.6 
1 1 1 1  10 62 o 4.611000       1.944000      ?             ?      
1 1 1 1  10 63 o 8.160000       1.645000      ?             ?      
1 1 1 1  10 64 o 0.9222000      1.391000      ?             ?      
1 1 1 1  10 65 o 3.459000       1.382000      ?             ?      
1 1 1 1  10 67 o 19.62000       1.703000      ?             ?      
1 1 1 1  10 68 o 4.033000       1.619000      ?             ?      
1 1 1 1  10 69 o 3.331000       1.606000      ?             ?      
1 1 1 1  10 70 o 2.456000       1.864000      ?             ?      
1 1 1 1  10 71 o 3.958000       3.074000      ?             ?      
1 1 1 1  10 73 o 0.3168000      1.474000      ?             ?      
1 1 1 1  10 75 o 5.927000       1.774000      ?             ?      
1 1 1 1  10 76 o 1.029000       1.717000      ?             ?      
1 1 1 1  11 0  o 13.58000       0.5114000     344.7664      90.0   
1 1 1 1  11 1  o 145.8000       2.885000      1886.646      15.2   
1 1 1 1  11 2  o 60.77000       1.335000      803.8410      37.0   
1 1 1 1  11 3  o 577.0000       11.31000      2879.105      118.5  
1 1 1 1  11 4  o 264.9000       5.213000      2082.117      132.4  
1 1 1 1  11 5  o 206.7000       5.003000      1491.521      151.9  
1 1 1 1  11 6  o 56.69000       1.455000      1579.031      -64.1  
1 1 1 1  11 7  o 59.45000       1.427000      917.0042      -2.0   
1 1 1 1  11 8  o 92.44000       2.167000      1131.781      -49.1  
1 1 1 1  11 9  o 61.58000       1.494000      649.9749      -31.3  
1 1 1 1  11 10 o 20.10000       0.5225000     176.1189      102.2  
1 1 1 1  11 11 o 19.49000       0.5313000     1023.935      37.3   
1 1 1 1  11 12 o 63.28000       1.528000      1027.028      16.3   
1 1 1 1  11 13 o 21.86000       0.7321000     817.5155      162.4  
1 1 1 1  11 14 o 77.29000       1.627000      1773.721      -48.2  
1 1 1 1  11 15 o 96.92000       2.003000      1353.623      141.6  
1 1 1 1  11 16 o 31.39000       0.8060000     812.2910      -10.9  
1 1 1 1  11 17 o 50.10000       1.251000      1544.328      13.7   
1 1 1 1  11 18 o 10.43000       0.6325000     439.0675      -118.5 
1 1 1 1  11 19 o 139.5000       3.092000      1736.336      -52.3  
1 1 1 1  11 20 o 11.83000       0.6670000     428.1485      70.2   
1 1 1 1  11 22 o 382.4000       8.194000      3402.270      5.8    
1 1 1 1  11 23 o 214.5000       5.625000      1835.108      -38.0  
1 1 1 1  11 24 o 89.46000       2.289000      1713.502      16.5   
1 1 1 1  11 25 o 1162.000       22.82000      ?             ?      
1 1 1 1  11 26 o 473.1000       9.386000      3414.992      9.0    
1 1 1 1  11 27 o 172.1000       3.569000      1975.140      164.3  
1 1 1 1  11 28 o 236.4000       4.816000      2537.802      53.5   
1 1 1 1  11 29 o 353.0000       7.091000      2883.012      175.9  
1 1 1 1  11 30 o 95.08000       3.021000      1007.634      -93.5  
1 1 1 1  11 31 o 104.9000       2.750000      1361.181      85.5   
1 1 1 1  11 32 o 320.1000       6.474000      2808.843      163.2  
1 1 1 1  11 33 o 247.4000       5.087000      2460.100      -27.3  
1 1 1 1  11 34 o 104.1000       2.432000      1376.771      7.6    
1 1 1 1  11 35 o 230.1000       4.768000      2168.086      -7.6   
1 1 1 1  11 36 o 80.33000       2.027000      1227.832      -172.4 
1 1 1 1  11 37 o 142.9000       3.136000      1738.031      -8.1   
1 1 1 1  11 38 o 22.08000       1.168000      367.1190      13.8   
1 1 1 1  11 39 o 96.88000       2.314000      1465.484      32.3   
1 1 1 1  11 40 o 25.03000       1.439000      804.1003      90.8   
1 1 1 1  11 41 o 38.31000       2.065000      610.8169      141.0  
1 1 1 1  11 42 o 177.1000       4.126000      1988.302      168.4  
1 1 1 1  11 43 o 7.708000       1.046000      234.4766      -49.5  
1 1 1 1  11 44 o 20.75000       1.309000      698.8290      -142.9 
1 1 1 1  11 45 o 52.44000       1.621000      859.1943      26.2   
1 1 1 1  11 46 o 41.08000       1.664000      847.1073      92.9   
1 1 1 1  11 47 o 23.79000       1.675000      498.1839      161.4  
1 1 1 1  11 48 o 17.19000       1.210000      456.9510      -113.2 
1 1 1 1  11 49 o 47.12000       1.598000      1098.861      74.6   
1 1 1 1  11 50 o 60.26000       1.820000      1315.921      -75.7  
1 1 1 1  11 51 o 28.50000       1.388000      861.4879      20.0   
1 1 1 1  11 53 o 10.65000       1.258000      365.9624      149.9  
1 1 1 1  11 54 o 18.71000       1.367000      766.3208      -170.7 
1 1 1 1  11 55 o 1.640000       1.274000      214.7422      42.5   
1 1 1 1  11 56 o 25.40000       1.847000      781.3472      -6.7   
1 1 1 1  11 57 o 1.824000       2.103000      107.8518      -158.7 
1 1 1 1  11 58 o 31.30000       1.940000      698.0915      47.8   
1 1 1 1  11 59 o 6.242000       1.469000      250.7940      -11.4  
1 1 1 1  11 60 o 2.651000       1.472000      410.5981      -45.1  
1 1 1 1  11 61 o 8.921000       1.694000      ?             ?      
1 1 1 1  11 62 o 20.35000       1.997000      ?             ?      
1 1 1 1  11 63 o 4.317000       1.429000      ?             ?      
1 1 1 1  11 64 o 1.999000       1.391000      ?             ?      
1 1 1 1  11 65 o -0.6965000E-01 1.357000      ?             ?      
1 1 1 1  11 66 o 1.125000       1.375000      ?             ?      
1 1 1 1  11 67 o 11.34000       1.485000      ?             ?      
1 1 1 1  11 68 o 3.625000       1.398000      ?             ?      
1 1 1 1  11 69 o 0.7551000      1.382000      ?             ?      
1 1 1 1  11 70 o 0.9330000      1.523000      ?             ?      
1 1 1 1  11 71 o 5.331000       2.107000      ?             ?      
1 1 1 1  11 72 o 0.9158000      2.246000      ?             ?      
1 1 1 1  11 74 o 0.8712000      1.676000      ?             ?      
1 1 1 1  11 76 o -0.1596000     1.694000      ?             ?      
1 1 1 1  12 0  o 530.1000       14.69000      4142.015      90.0   
1 1 1 1  12 1  o 249.7000       4.916000      2629.888      -102.7 
1 1 1 1  12 2  o 289.2000       5.683000      1949.499      -136.1 
1 1 1 1  12 3  o 111.6000       2.226000      1670.355      -84.4  
1 1 1 1  12 4  o 265.2000       5.636000      2523.475      -75.5  
1 1 1 1  12 5  o 367.3000       7.224000      2547.389      40.7   
1 1 1 1  12 6  o 118.3000       2.889000      1741.459      104.0  
1 1 1 1  12 7  o 6.420000       0.4484000     517.1544      -1.5   
1 1 1 1  12 8  f 87.44000       2.063000      971.1195      1.8    
1 1 1 1  12 9  o 54.30000       1.339000      842.4558      1.4    
1 1 1 1  12 10 o 17.31000       0.5285000     575.4441      30.1   
1 1 1 1  12 11 o 14.79000       0.4865000     910.4788      38.2   
1 1 1 1  12 12 o 145.1000       4.068000      1576.771      -124.6 
1 1 1 1  12 13 o 166.4000       3.832000      2207.968      -130.7 
1 1 1 1  12 14 o 66.36000       1.549000      992.7314      -51.8  
1 1 1 1  12 15 o 89.37000       2.164000      1327.020      9.3    
1 1 1 1  12 16 f 22.47000       0.7837000     342.0307      -78.6  
1 1 1 1  12 17 o 28.93000       0.7911000     726.1030      43.0   
1 1 1 1  12 18 o 9.298000       0.6505000     287.2362      16.3   
1 1 1 1  12 19 o 74.16000       1.892000      844.2088      -115.2 
1 1 1 1  12 20 o 13.19000       0.6273000     513.2429      -37.0  
1 1 1 1  12 21 o 77.56000       1.712000      1115.109      -22.1  
1 1 1 1  12 22 o 355.7000       7.070000      2802.972      -65.1  
1 1 1 1  12 23 o 186.0000       4.392000      1942.441      -84.6  
1 1 1 1  12 24 o 461.6000       12.99000      3881.668      69.8   
1 1 1 1  12 25 o 139.8000       3.415000      1867.380      -57.2  
1 1 1 1  12 26 o 712.8000       14.06000      4332.009      -78.7  
1 1 1 1  12 27 o 269.2000       5.439000      2262.841      119.2  
1 1 1 1  12 28 o 168.4000       3.527000      2229.856      170.6  
1 1 1 1  12 29 o 41.98000       1.481000      1124.224      117.2  
1 1 1 1  12 30 o 28.87000       1.537000      614.1302      76.0   
1 1 1 1  12 31 o 239.4000       5.669000      2020.366      73.9   
1 1 1 1  12 32 o 20.77000       1.146000      802.1502      -46.1  
1 1 1 1  12 33 o 67.71000       1.805000      1303.206      63.4   
1 1 1 1  12 34 o 229.7000       4.755000      2118.865      -12.5  
1 1 1 1  12 35 o 254.6000       5.237000      2069.273      -111.5 
1 1 1 1  12 36 o 103.1000       2.416000      1349.546      -98.3  
1 1 1 1  12 37 o 50.90000       1.553000      905.3106      -14.0  
1 1 1 1  12 38 o 55.54000       1.620000      1460.759      90.3   
1 1 1 1  12 39 o 149.5000       3.285000      1885.476      128.4  
1 1 1 1  12 40 o 125.3000       2.850000      1585.319      89.2   
1 1 1 1  12 41 o 30.03000       1.765000      827.8244      -13.6  
1 1 1 1  12 42 o 36.48000       1.593000      1042.570      56.0   
1 1 1 1  12 43 o 48.92000       1.555000      1021.976      54.4   
1 1 1 1  12 45 o 158.8000       3.791000      ?             ?      
1 1 1 1  12 46 o 177.4000       5.363000      ?             ?      
1 1 1 1  12 47 o 39.52000       1.658000      956.8680      41.4   
1 1 1 1  12 48 o 79.32000       2.102000      1296.822      97.4   
1 1 1 1  12 49 o 6.480000       1.125000      382.6689      150.7  
1 1 1 1  12 50 o 14.10000       1.204000      571.7559      -174.8 
1 1 1 1  12 51 o 18.05000       1.287000      646.0353      42.6   
1 1 1 1  12 52 o 66.78000       1.987000      1059.243      95.5   
1 1 1 1  12 53 o 15.14000       1.300000      490.5570      48.0   
1 1 1 1  12 54 o 11.44000       1.313000      670.2662      -70.4  
1 1 1 1  12 55 o 12.09000       1.346000      473.7725      125.0  
1 1 1 1  12 56 o 5.414000       1.357000      421.4578      78.7   
1 1 1 1  12 57 o 2.662000       1.716000      230.0739      34.6   
1 1 1 1  12 58 o 12.50000       1.719000      461.3464      31.3   
1 1 1 1  12 59 o 2.538000       1.454000      165.7070      -106.5 
1 1 1 1  12 60 o 19.17000       1.795000      593.0754      -55.5  
1 1 1 1  12 61 o 7.881000       1.998000      ?             ?      
1 1 1 1  12 62 o 16.96000       1.774000      ?             ?      
1 1 1 1  12 63 o 19.48000       1.555000      ?             ?      
1 1 1 1  12 64 o 11.27000       1.433000      ?             ?      
1 1 1 1  12 65 o 8.293000       1.399000      ?             ?      
1 1 1 1  12 66 o -0.4505000     1.377000      ?             ?      
1 1 1 1  12 68 o 14.65000       1.502000      ?             ?      
1 1 1 1  12 69 o 2.715000       1.405000      ?             ?      
1 1 1 1  12 71 o 9.499000       1.749000      ?             ?      
1 1 1 1  12 72 o 0.7410000      2.578000      ?             ?      
1 1 1 1  12 73 o 5.499000       1.924000      ?             ?      
1 1 1 1  12 74 o 3.541000       2.082000      ?             ?      
1 1 1 1  12 75 o 0.3008000      2.012000      ?             ?      
1 1 1 1  12 76 o 5.288000       1.740000      ?             ?      
1 1 1 1  13 0  o 68.49000       1.973000      707.3498      -90.0  
1 1 1 1  13 1  o 656.7000       12.86000      3827.104      -1.8   
1 1 1 1  13 2  o 135.3000       2.688000      2125.441      53.5   
1 1 1 1  13 3  o 910.6000       17.84000      4364.919      162.5  
1 1 1 1  13 4  o 69.42000       1.533000      1439.786      90.7   
1 1 1 1  13 5  o 26.60000       0.6584000     917.1890      -151.4 
1 1 1 1  13 6  o 56.66000       1.549000      893.2892      136.0  
1 1 1 1  13 7  o 76.16000       1.922000      1602.536      141.3  
1 1 1 1  13 8  o 27.40000       0.8895000     653.1841      152.8  
1 1 1 1  13 9  o 3.128000       0.3079000     523.5701      63.7   
1 1 1 1  13 10 o 39.50000       1.034000      812.5912      -18.6  
1 1 1 1  13 11 o 23.58000       0.7704000     1217.945      7.8    
1 1 1 1  13 12 o 288.1000       11.41000      2466.512      7.5    
1 1 1 1  13 13 o 75.76000       1.854000      1017.575      19.0   
1 1 1 1  13 14 o 87.31000       1.817000      1310.261      -41.0  
1 1 1 1  13 15 o 79.14000       1.818000      1480.140      47.7   
1 1 1 1  13 16 o 381.8000       8.724000      2969.478      -146.6 
1 1 1 1  13 17 o 142.0000       2.897000      1753.432      -114.1 
1 1 1 1  13 18 o 562.0000       11.07000      3321.268      14.8   
1 1 1 1  13 19 o 73.35000       1.609000      945.8397      -122.2 
1 1 1 1  13 20 o 35.57000       0.9533000     773.2911      -176.2 
1 1 1 1  13 21 o 481.0000       9.509000      3036.823      -34.5  
1 1 1 1  13 22 o 351.8000       6.998000      3182.183      28.8   
1 1 1 1  13 23 o 14.35000       0.7367000     493.8105      -81.9  
1 1 1 1  13 24 o 12.88000       1.081000      713.5861      33.2   
1 1 1 1  13 25 o 41.83000       1.413000      1120.473      -83.0  
1 1 1 1  13 26 o 1087.000       21.35000      4940.021      9.4    
1 1 1 1  13 27 o 417.6000       8.320000      3076.309      176.8  
1 1 1 1  13 28 o 521.5000       10.36000      3417.947      162.9  
1 1 1 1  13 29 o 89.15000       2.865000      1042.276      96.9   
1 1 1 1  13 30 o 10.99000       1.135000      338.5821      155.5  
1 1 1 1  13 31 o 295.4000       6.004000      2540.684      138.1  
1 1 1 1  13 32 o 66.09000       1.785000      1072.761      141.6  
1 1 1 1  13 33 o 69.79000       1.834000      1286.528      8.7    
1 1 1 1  13 34 o 132.1000       2.936000      1737.980      25.5   
1 1 1 1  13 35 o 7.394000       1.051000      472.2940      169.9  
1 1 1 1  13 36 o 127.8000       2.863000      1743.472      165.5  
1 1 1 1  13 37 o 171.4000       3.674000      1628.630      -109.2 
1 1 1 1  13 38 o 284.3000       5.820000      2549.158      154.8  
1 1 1 1  13 39 o 42.50000       1.427000      892.6289      124.1  
1 1 1 1  13 40 o 81.53000       2.055000      1152.758      18.3   
1 1 1 1  13 41 o 265.4000       6.359000      ?             ?      
1 1 1 1  13 42 o 26.57000       1.887000      430.6859      155.6  
1 1 1 1  13 43 o 214.3000       4.921000      ?             ?      
1 1 1 1  13 44 o 21.76000       1.282000      394.9148      60.2   
1 1 1 1  13 45 o 66.82000       2.114000      1080.352      17.3   
1 1 1 1  13 46 o 24.82000       1.650000      625.4968      171.0  
1 1 1 1  13 47 o 20.66000       1.246000      534.9235      54.7   
1 1 1 1  13 48 o 87.27000       2.250000      1320.888      -164.6 
1 1 1 1  13 49 o 29.43000       1.356000      814.9986      162.3  
1 1 1 1  13 50 o 8.098000       1.162000      391.1687      -39.7  
1 1 1 1  13 51 o 65.20000       1.941000      1135.702      9.8    
1 1 1 1  13 52 o 21.10000       1.357000      736.7741      -141.9 
1 1 1 1  13 53 o 17.29000       1.348000      797.6467      174.9  
1 1 1 1  13 54 o 6.479000       1.286000      351.2424      -159.5 
1 1 1 1  13 55 o 5.565000       1.309000      306.3830      22.9   
1 1 1 1  13 56 o 10.21000       1.393000      354.7759      102.2  
1 1 1 1  13 57 o 4.435000       1.710000      268.7975      49.9   
1 1 1 1  13 58 o 15.28000       2.290000      642.8324      -147.2 
1 1 1 1  13 59 o 12.23000       1.634000      463.3005      100.4  
1 1 1 1  13 60 o 8.486000       1.690000      352.1823      16.5   
1 1 1 1  13 61 o 15.05000       1.782000      ?             ?      
1 1 1 1  13 62 o 13.37000       1.526000      ?             ?      
1 1 1 1  13 63 o -0.2618000     1.403000      ?             ?      
1 1 1 1  13 64 o 6.998000       1.406000      ?             ?      
1 1 1 1  13 65 o 7.213000       1.381000      ?             ?      
1 1 1 1  13 66 o -0.3263000     1.378000      ?             ?      
1 1 1 1  13 67 o 3.197000       1.405000      ?             ?      
1 1 1 1  13 68 o 3.155000       1.409000      ?             ?      
1 1 1 1  13 69 o 10.85000       1.484000      ?             ?      
1 1 1 1  13 70 o -0.1888000E-01 1.398000      ?             ?      
1 1 1 1  13 71 o 7.261000       1.475000      ?             ?      
1 1 1 1  13 72 o -0.8623000     1.708000      ?             ?      
1 1 1 1  13 73 o 3.642000       2.079000      ?             ?      
1 1 1 1  13 74 o 1.188000       1.986000      ?             ?      
1 1 1 1  13 75 o 2.058000       1.683000      ?             ?      
1 1 1 1  14 0  o 7.021000       0.4502000     483.2137      90.0   
1 1 1 1  14 1  o 221.9000       4.378000      2220.989      -98.9  
1 1 1 1  14 2  o 72.95000       1.486000      1004.460      171.0  
1 1 1 1  14 3  o 33.41000       0.7375000     1061.880      -130.3 
1 1 1 1  14 4  o 27.79000       0.6301000     945.6912      -121.0 
1 1 1 1  14 5  o 59.30000       1.326000      1426.658      138.3  
1 1 1 1  14 6  o 167.6000       4.306000      2024.321      -105.4 
1 1 1 1  14 7  o 47.65000       1.260000      1168.757      -21.5  
1 1 1 1  14 8  o 9.071000       0.4840000     764.1577      48.2   
1 1 1 1  14 9  o 12.71000       0.6046000     295.4676      -167.8 
1 1 1 1  14 10 o 72.19000       3.068000      1067.223      94.3   
1 1 1 1  14 11 o 151.4000       5.972000      1458.420      107.4  
1 1 1 1  14 12 o 137.7000       3.183000      2077.134      84.7   
1 1 1 1  14 13 o 5.976000       0.4703000     332.4579      50.8   
1 1 1 1  14 14 o 20.17000       0.6636000     504.9244      58.0   
1 1 1 1  14 15 o 155.6000       3.140000      1850.074      -41.1  
1 1 1 1  14 16 o 110.2000       2.275000      1964.088      41.2   
1 1 1 1  14 17 o 386.1000       7.635000      2781.116      84.0   
1 1 1 1  14 18 o 69.21000       1.523000      1115.755      35.2   
1 1 1 1  14 19 o 10.57000       0.5781000     607.0355      -112.1 
1 1 1 1  14 20 o 169.3000       3.448000      2042.429      -38.6  
1 1 1 1  14 21 o 30.94000       0.9097000     1064.860      85.4   
1 1 1 1  14 22 o 80.07000       1.784000      1263.424      10.0   
1 1 1 1  14 23 o 37.48000       1.172000      642.5746      140.1  
1 1 1 1  14 24 o 380.2000       8.763000      2845.600      45.1   
1 1 1 1  14 25 o 26.08000       1.516000      692.2190      -9.9   
1 1 1 1  14 26 o 229.5000       5.413000      2071.902      -75.9  
1 1 1 1  14 27 o 140.8000       3.003000      1851.386      108.8  
1 1 1 1  14 28 o 161.1000       3.903000      1836.026      -168.1 
1 1 1 1  14 29 o 43.40000       1.788000      1111.922      -147.2 
1 1 1 1  14 30 o 206.8000       4.946000      1969.180      -104.1 
1 1 1 1  14 31 o 32.16000       1.279000      542.1677      -104.6 
1 1 1 1  14 32 o 370.0000       7.450000      2515.359      60.3   
1 1 1 1  14 33 o 8.773000       1.042000      446.8701      13.4   
1 1 1 1  14 34 o 53.62000       1.574000      715.6566      -103.0 
1 1 1 1  14 35 o 188.9000       3.993000      1727.321      161.8  
1 1 1 1  14 36 o 41.78000       1.414000      746.0768      -25.9  
1 1 1 1  14 37 o 39.35000       1.492000      797.6814      18.0   
1 1 1 1  14 38 o 21.99000       1.159000      729.1878      -66.9  
1 1 1 1  14 39 o 164.9000       3.568000      1959.791      -175.7 
1 1 1 1  14 40 o 16.45000       1.108000      300.6163      74.9   
1 1 1 1  14 41 o 38.02000       1.528000      959.6233      -9.2   
1 1 1 1  14 42 o 48.85000       2.128000      738.6608      68.1   
1 1 1 1  14 43 o 5.480000       1.232000      178.4914      -123.5 
1 1 1 1  14 44 o 36.81000       1.415000      994.9333      -108.3 
1 1 1 1  14 45 o 38.41000       1.629000      813.0508      -102.0 
1 1 1 1  14 46 o 22.44000       1.383000      608.7516      -61.5  
1 1 1 1  14 47 o 5.494000       1.101000      254.0852      -48.0  
1 1 1 1  14 48 o 60.98000       1.826000      1239.760      -102.3 
1 1 1 1  14 49 o 6.821000       1.130000      360.5816      -91.2  
1 1 1 1  14 50 o 22.66000       1.410000      738.8163      64.2   
1 1 1 1  14 51 o 11.57000       1.225000      598.3834      -32.2  
1 1 1 1  14 52 o 0.3153000      1.262000      101.9395      104.7  
1 1 1 1  14 53 o 65.78000       2.009000      1271.028      -58.8  
1 1 1 1  14 54 o 15.50000       1.370000      462.3770      93.2   
1 1 1 1  14 55 o 1.382000       1.307000      212.7947      91.7   
1 1 1 1  14 56 o 21.81000       1.518000      684.8386      -85.4  
1 1 1 1  14 57 o 12.73000       1.487000      435.0420      -97.8  
1 1 1 1  14 58 f 0.1976000E-01  1.969000      50.26227      89.6   
1 1 1 1  14 59 o 7.061000       1.743000      523.2638      -13.3  
1 1 1 1  14 60 o 10.44000       1.743000      358.2196      98.3   
1 1 1 1  14 61 o 4.303000       1.645000      ?             ?      
1 1 1 1  14 62 o 3.771000       1.419000      ?             ?      
1 1 1 1  14 63 o 7.635000       1.418000      ?             ?      
1 1 1 1  14 64 o 1.323000       1.366000      ?             ?      
1 1 1 1  14 65 o 4.100000       1.363000      ?             ?      
1 1 1 1  14 66 o 2.136000       1.406000      ?             ?      
1 1 1 1  14 67 o 9.891000       1.448000      ?             ?      
1 1 1 1  14 68 o 4.575000       1.406000      ?             ?      
1 1 1 1  14 69 o 10.02000       1.467000      ?             ?      
1 1 1 1  14 70 o 1.729000       1.412000      ?             ?      
1 1 1 1  14 71 o 3.999000       1.433000      ?             ?      
1 1 1 1  14 72 o 4.195000       1.712000      ?             ?      
1 1 1 1  14 73 o 7.742000       2.666000      ?             ?      
1 1 1 1  14 74 o -1.180000      1.693000      ?             ?      
1 1 1 1  14 75 o 0.4668000      1.485000      ?             ?      
1 1 1 1  15 0  o 108.8000       3.090000      1591.569      -90.0  
1 1 1 1  15 1  o 11.13000       0.3785000     470.3749      -5.7   
1 1 1 1  15 2  o 99.22000       2.000000      1397.286      -172.3 
1 1 1 1  15 3  o 45.74000       0.9741000     1008.864      -142.0 
1 1 1 1  15 4  o 354.2000       6.968000      2489.745      19.5   
1 1 1 1  15 5  o 1.628000       0.1913000     365.6947      -115.7 
1 1 1 1  15 6  o 23.87000       0.8033000     1113.038      -121.3 
1 1 1 1  15 7  o 46.51000       1.489000      929.5994      -179.2 
1 1 1 1  15 8  o 66.40000       2.017000      1565.523      27.2   
1 1 1 1  15 9  o 1.002000       0.4706000     503.7021      103.5  
1 1 1 1  15 10 o 12.55000       0.5343000     602.3366      50.0   
1 1 1 1  15 11 o 20.76000       0.8961000     912.7520      112.6  
1 1 1 1  15 12 o 15.81000       0.6071000     1050.331      -128.0 
1 1 1 1  15 13 o 74.71000       1.567000      1592.574      156.6  
1 1 1 1  15 14 o 30.88000       0.7699000     420.6263      52.8   
1 1 1 1  15 15 o 18.07000       0.5809000     768.7722      95.4   
1 1 1 1  15 16 o 101.6000       2.112000      1242.541      -134.9 
1 1 1 1  15 17 o 36.83000       0.9266000     1445.072      39.4   
1 1 1 1  15 18 o 107.9000       2.251000      1619.766      132.0  
1 1 1 1  15 19 o 60.40000       1.378000      1533.157      -7.7   
1 1 1 1  15 20 o 65.78000       1.490000      1197.658      -82.0  
1 1 1 1  15 21 o 28.20000       0.8680000     745.7975      47.2   
1 1 1 1  15 22 o 354.3000       7.052000      2725.887      138.5  
1 1 1 1  15 23 o 472.6000       9.364000      2959.465      21.3   
1 1 1 1  15 24 o 103.9000       2.274000      1474.306      -10.4  
1 1 1 1  15 25 o 334.3000       8.683000      2822.296      -21.4  
1 1 1 1  15 26 o 384.0000       8.875000      2769.059      154.4  
1 1 1 1  15 27 o 5.261000       0.9486000     92.78008      77.9   
1 1 1 1  15 28 o 58.43000       2.094000      1120.943      31.9   
1 1 1 1  15 29 o 45.74000       1.600000      1161.167      70.5   
1 1 1 1  15 30 o 137.6000       3.011000      1364.388      -80.0  
1 1 1 1  15 31 o 150.1000       3.255000      1632.668      -177.0 
1 1 1 1  15 32 o 34.71000       1.306000      840.2560      -20.5  
1 1 1 1  15 33 o 8.300000       1.029000      650.1148      -68.6  
1 1 1 1  15 34 o 51.78000       1.542000      977.7567      91.9   
1 1 1 1  15 35 o 55.80000       1.609000      1028.592      144.3  
1 1 1 1  15 36 o 201.3000       4.237000      2005.596      -160.7 
1 1 1 1  15 37 o 47.45000       1.493000      952.1302      -134.6 
1 1 1 1  15 38 o 55.56000       1.614000      948.6672      30.5   
1 1 1 1  15 39 o 13.10000       1.066000      726.4474      27.8   
1 1 1 1  15 40 o 30.11000       1.253000      734.1076      -107.0 
1 1 1 1  15 41 o 9.121000       1.048000      412.8891      153.0  
1 1 1 1  15 42 o 20.27000       1.403000      563.3907      -154.8 
1 1 1 1  15 43 o 2.199000       1.632000      186.6710      52.9   
1 1 1 1  15 44 o 14.76000       1.412000      526.2987      -25.0  
1 1 1 1  15 45 o 35.19000       1.835000      815.7668      -53.4  
1 1 1 1  15 46 o 48.84000       1.807000      1078.241      -7.6   
1 1 1 1  15 47 o 21.22000       1.229000      701.7088      9.3    
1 1 1 1  15 48 o 23.69000       1.276000      818.9136      154.8  
1 1 1 1  15 49 o 8.505000       1.139000      327.7854      176.2  
1 1 1 1  15 50 o 9.166000       1.177000      330.0279      -41.7  
1 1 1 1  15 51 o 18.38000       1.287000      478.3091      -27.2  
1 1 1 1  15 52 o 0.7347000      1.194000      146.7562      -164.0 
1 1 1 1  15 53 o 11.63000       1.309000      474.9792      24.3   
1 1 1 1  15 54 o 8.784000       1.313000      424.6913      15.2   
1 1 1 1  15 55 o 10.19000       1.380000      493.6714      167.2  
1 1 1 1  15 56 o 12.88000       1.445000      584.9097      41.5   
1 1 1 1  15 57 o 15.38000       1.493000      682.0329      -121.1 
1 1 1 1  15 58 o 7.081000       1.767000      341.4764      -164.6 
1 1 1 1  15 59 o 13.38000       2.835000      581.3521      114.0  
1 1 1 1  15 60 o 11.99000       2.306000      ?             ?      
1 1 1 1  15 61 o 8.207000       1.486000      ?             ?      
1 1 1 1  15 62 o 7.964000       1.428000      ?             ?      
1 1 1 1  15 63 o 5.167000       1.393000      ?             ?      
1 1 1 1  15 64 o 0.6454000      1.355000      ?             ?      
1 1 1 1  15 65 o 2.846000       1.376000      ?             ?      
1 1 1 1  15 67 o 1.527000       1.372000      ?             ?      
1 1 1 1  15 69 o 2.505000       1.393000      ?             ?      
1 1 1 1  15 70 o 10.51000       1.481000      ?             ?      
1 1 1 1  15 71 o 6.806000       1.454000      ?             ?      
1 1 1 1  15 72 o 1.433000       1.862000      ?             ?      
1 1 1 1  15 74 o 1.084000       3.104000      ?             ?      
1 1 1 1  15 75 o 1.797000       1.479000      ?             ?      
1 1 1 1  16 0  o 27.17000       0.9163000     827.3906      -90.0  
1 1 1 1  16 1  o 44.07000       0.9527000     855.2335      -79.5  
1 1 1 1  16 2  o 15.27000       0.4503000     593.6734      144.8  
1 1 1 1  16 3  o 0.2181000      0.2788000     299.5795      170.1  
1 1 1 1  16 4  o 13.31000       0.4469000     580.3297      -78.0  
1 1 1 1  16 5  o 14.92000       0.5025000     696.4141      31.6   
1 1 1 1  16 6  o 2.366000       0.2346000     278.7586      114.4  
1 1 1 1  16 7  o 50.83000       1.444000      1297.604      100.9  
1 1 1 1  16 8  o 68.36000       1.776000      763.2753      -111.6 
1 1 1 1  16 9  o 24.62000       1.111000      632.3162      141.2  
1 1 1 1  16 10 o 72.86000       4.114000      1239.622      77.6   
1 1 1 1  16 11 o 48.82000       1.500000      1236.517      76.6   
1 1 1 1  16 12 o 71.96000       1.645000      1425.894      -146.8 
1 1 1 1  16 13 o 35.63000       0.8395000     529.5337      -58.9  
1 1 1 1  16 14 o 27.56000       0.7112000     932.5245      128.9  
1 1 1 1  16 15 o 83.02000       1.748000      1196.042      -15.2  
1 1 1 1  16 16 o 155.9000       3.153000      1576.574      69.3   
1 1 1 1  16 17 o 17.66000       0.6203000     279.4655      -121.0 
1 1 1 1  16 18 o 5.112000       0.5048000     451.6791      37.8   
1 1 1 1  16 19 o 223.5000       4.485000      2002.837      -98.9  
1 1 1 1  16 20 o 60.45000       1.398000      1272.542      130.3  
1 1 1 1  16 21 o 10.42000       0.6503000     317.5758      27.4   
1 1 1 1  16 22 o 153.5000       3.173000      1791.616      89.9   
1 1 1 1  16 23 o 44.41000       1.205000      930.4593      -141.6 
1 1 1 1  16 24 o 90.34000       2.024000      1540.615      75.8   
1 1 1 1  16 25 o 128.4000       3.212000      1403.523      52.7   
1 1 1 1  16 26 o 76.36000       2.729000      1048.688      82.8   
1 1 1 1  16 27 o 133.9000       4.075000      1645.555      -115.6 
1 1 1 1  16 28 o 13.80000       1.249000      736.3953      138.4  
1 1 1 1  16 29 o 109.4000       2.850000      1456.051      -66.0  
1 1 1 1  16 30 o 48.18000       1.479000      924.4166      -68.6  
1 1 1 1  16 31 o 94.78000       2.248000      1671.050      75.3   
1 1 1 1  16 32 o 130.7000       2.897000      1717.359      68.4   
1 1 1 1  16 33 o 7.407000       1.020000      143.2916      79.2   
1 1 1 1  16 34 o 42.02000       1.401000      703.3239      103.3  
1 1 1 1  16 35 o 30.01000       1.236000      678.9049      -106.9 
1 1 1 1  16 36 o 27.23000       1.207000      796.4835      -5.5   
1 1 1 1  16 37 o 9.441000       1.028000      222.0036      -120.2 
1 1 1 1  16 38 o 14.23000       1.061000      536.3273      -174.2 
1 1 1 1  16 39 o 33.30000       1.285000      944.2529      77.7   
1 1 1 1  16 40 o 9.175000       1.033000      254.0009      29.6   
1 1 1 1  16 41 f 26.49000       1.213000      840.5269      -38.3  
1 1 1 1  16 42 o 17.66000       1.260000      665.6894      98.1   
1 1 1 1  16 43 o 141.7000       4.291000      ?             ?      
1 1 1 1  16 44 o 15.74000       2.331000      476.4290      -19.9  
1 1 1 1  16 45 o 8.853000       1.245000      287.3705      -69.9  
1 1 1 1  16 46 o 5.695000       1.084000      306.0244      -36.5  
1 1 1 1  16 47 o 9.775000       1.117000      515.8922      -79.3  
1 1 1 1  16 48 o 8.180000       1.114000      321.6203      -28.1  
1 1 1 1  16 49 o 21.22000       1.271000      654.0007      102.6  
1 1 1 1  16 50 o 40.82000       1.553000      942.7770      29.3   
1 1 1 1  16 51 o 0.8549000      1.176000      122.6341      -107.1 
1 1 1 1  16 52 o 33.09000       1.519000      873.9495      75.0   
1 1 1 1  16 53 o 6.811000       1.265000      427.2726      -8.8   
1 1 1 1  16 54 o 6.753000       1.311000      454.2206      72.0   
1 1 1 1  16 55 o 10.08000       1.381000      493.4971      -87.7  
1 1 1 1  16 56 o 27.75000       1.589000      879.0467      -88.5  
1 1 1 1  16 57 o 15.69000       1.510000      606.6339      82.9   
1 1 1 1  16 58 o 10.63000       1.687000      431.6277      6.6    
1 1 1 1  16 59 o 11.30000       2.907000      400.2550      -75.9  
1 1 1 1  16 60 o 7.035000       2.009000      ?             ?      
1 1 1 1  16 61 o 4.489000       1.413000      ?             ?      
1 1 1 1  16 62 o 8.875000       1.415000      ?             ?      
1 1 1 1  16 63 o 0.5073000      1.344000      ?             ?      
1 1 1 1  16 64 o 2.802000       1.349000      ?             ?      
1 1 1 1  16 65 o 0.1693000      1.352000      ?             ?      
1 1 1 1  16 66 o 1.186000       1.370000      ?             ?      
1 1 1 1  16 67 o 1.376000       1.355000      ?             ?      
1 1 1 1  16 68 o 0.9329000      1.378000      ?             ?      
1 1 1 1  16 69 o 3.709000       1.396000      ?             ?      
1 1 1 1  16 70 o 3.417000       1.422000      ?             ?      
1 1 1 1  16 71 o 5.201000       1.440000      ?             ?      
1 1 1 1  16 72 o 4.787000       1.654000      ?             ?      
1 1 1 1  16 73 o -2.577000      2.060000      ?             ?      
1 1 1 1  16 74 o -3.583000      1.694000      ?             ?      
1 1 1 1  16 75 o 1.080000       1.475000      ?             ?      
1 1 1 1  17 0  o 0.2779000      0.4599000     7.928895      -90.0  
1 1 1 1  17 1  o 3.230000       0.3638000     341.8884      124.6  
1 1 1 1  17 2  o 29.89000       0.8227000     711.0803      -81.8  
1 1 1 1  17 3  o 0.2968000      0.3307000     278.5502      -176.7 
1 1 1 1  17 4  o 17.02000       0.4802000     590.6650      33.2   
1 1 1 1  17 5  o 0.4526000      0.3608000     299.5099      -96.7  
1 1 1 1  17 6  o 38.92000       1.013000      757.3338      -158.3 
1 1 1 1  17 7  o 31.44000       1.017000      863.7439      -173.6 
1 1 1 1  17 8  o 17.30000       0.6901000     360.8336      6.5    
1 1 1 1  17 9  o 9.417000       0.7252000     442.8398      -159.4 
1 1 1 1  17 10 o 9.576000       0.8453000     656.5234      128.0  
1 1 1 1  17 11 o 3.739000       0.3197000     164.7830      -131.5 
1 1 1 1  17 12 o 0.1355000      0.3609000     208.9936      -154.1 
1 1 1 1  17 13 o 6.672000       0.4171000     639.0699      70.1   
1 1 1 1  17 14 o 23.99000       0.6483000     707.0192      53.9   
1 1 1 1  17 15 o 25.94000       0.7004000     937.0407      -51.9  
1 1 1 1  17 16 o 2.404000       0.4150000     461.1961      166.1  
1 1 1 1  17 17 o 45.86000       1.081000      899.1860      172.7  
1 1 1 1  17 18 o 63.92000       1.427000      1272.083      13.5   
1 1 1 1  17 19 o 529.2000       10.44000      3499.290      5.2    
1 1 1 1  17 20 o 18.38000       0.7211000     608.4264      -80.0  
1 1 1 1  17 21 f 19.87000       0.7755000     700.2711      164.4  
1 1 1 1  17 22 o 134.5000       2.816000      1483.993      73.1   
1 1 1 1  17 23 o 23.94000       0.9055000     810.8495      -67.8  
1 1 1 1  17 24 o 18.71000       0.8837000     414.0570      -54.3  
1 1 1 1  17 25 o 26.86000       1.038000      734.8926      -81.7  
1 1 1 1  17 26 o 78.17000       2.595000      1107.360      83.2   
1 1 1 1  17 27 o 34.22000       3.210000      603.0691      52.3   
1 1 1 1  17 28 o 47.37000       1.630000      1054.644      126.7  
1 1 1 1  17 29 o 13.38000       1.052000      553.1848      155.0  
1 1 1 1  17 30 o 3.827000       1.014000      397.3997      -80.6  
1 1 1 1  17 31 o 7.454000       1.009000      406.8799      93.8   
1 1 1 1  17 32 o 4.584000       1.007000      257.6675      -88.3  
1 1 1 1  17 33 o 58.70000       1.644000      905.3711      -166.1 
1 1 1 1  17 34 o 64.60000       1.748000      1398.866      122.4  
1 1 1 1  17 35 o 3.388000       0.9906000     315.4445      -34.7  
1 1 1 1  17 36 o 26.42000       1.179000      586.0158      -72.6  
1 1 1 1  17 37 o 37.00000       1.320000      826.3851      161.0  
1 1 1 1  17 38 o 14.85000       1.056000      705.8890      -164.9 
1 1 1 1  17 39 o 9.676000       1.014000      544.5250      -166.7 
1 1 1 1  17 40 o 26.77000       1.204000      574.2756      21.2   
1 1 1 1  17 41 o 18.69000       1.122000      566.3443      -67.9  
1 1 1 1  17 42 o 12.77000       1.093000      574.5205      130.8  
1 1 1 1  17 43 o 12.61000       1.600000      469.2299      -6.8   
1 1 1 1  17 44 o 35.57000       3.926000      987.7502      -21.1  
1 1 1 1  17 45 o 0.4496000      1.306000      103.7011      -128.5 
1 1 1 1  17 46 o 5.534000       1.074000      268.6248      -111.9 
1 1 1 1  17 47 o 8.550000       1.102000      640.8389      148.1  
1 1 1 1  17 48 o 11.95000       1.164000      282.6898      -158.4 
1 1 1 1  17 49 o 11.47000       1.198000      509.4753      -10.6  
1 1 1 1  17 50 o 22.75000       1.344000      580.3828      -160.0 
1 1 1 1  17 51 o 16.71000       1.306000      634.6820      143.1  
1 1 1 1  17 52 o 14.26000       1.326000      555.4135      10.6   
1 1 1 1  17 53 o -0.2358000     1.252000      38.47781      175.1  
1 1 1 1  17 54 o 1.763000       1.293000      156.6548      -123.0 
1 1 1 1  17 55 o 6.721000       1.374000      281.0172      75.9   
1 1 1 1  17 56 o 10.21000       1.441000      450.4671      3.4    
1 1 1 1  17 57 o 46.46000       1.909000      ?             ?      
1 1 1 1  17 58 o 13.99000       1.668000      597.3401      170.2  
1 1 1 1  17 59 o 3.201000       2.869000      303.7478      71.1   
1 1 1 1  17 60 o -0.2537000E-01 2.483000      ?             ?      
1 1 1 1  17 61 o 13.57000       1.479000      ?             ?      
1 1 1 1  17 62 o 3.497000       1.358000      ?             ?      
1 1 1 1  17 63 o 4.583000       1.351000      ?             ?      
1 1 1 1  17 64 o 12.41000       1.425000      ?             ?      
1 1 1 1  17 65 f 0.4670000      1.362000      ?             ?      
1 1 1 1  17 66 o 2.295000       1.373000      ?             ?      
1 1 1 1  17 67 o 0.8700000      1.365000      ?             ?      
1 1 1 1  17 68 o 8.627000       1.444000      ?             ?      
1 1 1 1  17 69 o 5.013000       1.402000      ?             ?      
1 1 1 1  17 70 o 2.026000       1.418000      ?             ?      
1 1 1 1  17 71 o 1.895000       1.593000      ?             ?      
1 1 1 1  17 72 o -1.486000      1.614000      ?             ?      
1 1 1 1  17 73 o 3.241000       2.096000      ?             ?      
1 1 1 1  18 0  o 4.131000       0.6068000     18.15708      90.0   
1 1 1 1  18 1  o 7.012000       0.4436000     341.9994      138.3  
1 1 1 1  18 2  o 28.15000       0.8215000     521.6584      119.8  
1 1 1 1  18 3  o 1.138000       0.4150000     209.1167      5.3    
1 1 1 1  18 4  o 0.2301000      0.3073000     37.70607      96.1   
1 1 1 1  18 5  o 8.049000       0.3468000     505.6905      43.5   
1 1 1 1  18 6  o 12.31000       0.3767000     526.6154      -126.4 
1 1 1 1  18 7  o 14.58000       0.6904000     609.4282      -128.1 
1 1 1 1  18 8  o 11.48000       0.8133000     385.6949      28.7   
1 1 1 1  18 9  o 13.16000       0.6126000     197.2066      68.4   
1 1 1 1  18 10 o 3.697000       0.7674000     439.7744      100.0  
1 1 1 1  18 11 o 19.93000       0.7825000     790.1013      -125.4 
1 1 1 1  18 12 o 8.076000       0.4170000     626.1413      -111.3 
1 1 1 1  18 13 o 11.13000       0.4712000     831.8175      50.1   
1 1 1 1  18 14 o 33.75000       0.9854000     710.2003      89.4   
1 1 1 1  18 15 o 7.006000       0.4166000     415.1390      -113.9 
1 1 1 1  18 16 o 20.63000       0.6323000     617.8570      -77.0  
1 1 1 1  18 17 o 31.75000       0.8409000     725.5781      58.6   
1 1 1 1  18 18 o 46.05000       1.108000      1007.228      89.7   
1 1 1 1  18 19 o 22.76000       0.7620000     682.2367      -96.2  
1 1 1 1  18 20 o 85.89000       1.870000      1513.176      106.1  
1 1 1 1  18 21 o 54.94000       1.336000      966.5548      -29.2  
1 1 1 1  18 22 o 57.48000       1.410000      933.9065      78.1   
1 1 1 1  18 23 o 23.47000       0.9047000     619.8434      143.7  
1 1 1 1  18 24 o 67.87000       1.642000      1230.295      39.1   
1 1 1 1  18 25 o 11.10000       0.8893000     407.8309      155.2  
1 1 1 1  18 26 o 12.61000       1.356000      551.9417      -74.2  
1 1 1 1  18 28 o 11.10000       1.453000      613.6237      -90.2  
1 1 1 1  18 29 o 13.09000       1.060000      407.5793      96.1   
1 1 1 1  18 30 o 8.777000       1.040000      311.7158      86.7   
1 1 1 1  18 31 o 26.77000       1.185000      758.7733      -87.8  
1 1 1 1  18 32 o 29.54000       1.233000      808.3740      77.5   
1 1 1 1  18 33 o 12.23000       1.053000      377.7523      -94.4  
1 1 1 1  18 34 o 7.678000       1.012000      385.4883      -81.7  
1 1 1 1  18 35 o 24.40000       1.154000      735.6970      -121.0 
1 1 1 1  18 36 o 21.07000       1.112000      646.5573      -49.3  
1 1 1 1  18 37 o 26.37000       1.173000      684.7490      -131.3 
1 1 1 1  18 38 o 1.641000       0.9637000     187.8504      116.8  
1 1 1 1  18 39 o 9.698000       1.021000      325.7784      31.4   
1 1 1 1  18 40 o -1.642000      0.9699000     39.58359      132.2  
1 1 1 1  18 41 o 12.70000       1.066000      530.3565      90.7   
1 1 1 1  18 42 o 19.74000       1.297000      649.7991      28.4   
1 1 1 1  18 43 o 50.62000       2.630000      1016.661      -81.2  
1 1 1 1  18 44 o 8.822000       2.514000      325.9449      -4.0   
1 1 1 1  18 45 o 19.04000       1.431000      506.6618      -48.5  
1 1 1 1  18 46 o 2.582000       1.072000      169.7253      -32.2  
1 1 1 1  18 47 o -1.007000      1.066000      202.0561      -101.7 
1 1 1 1  18 48 o 20.46000       1.265000      616.8745      115.1  
1 1 1 1  18 49 o 6.838000       1.237000      355.0395      36.4   
1 1 1 1  18 50 o 36.80000       1.540000      838.2107      61.2   
1 1 1 1  18 51 o 21.92000       1.395000      600.3012      -86.0  
1 1 1 1  18 52 o 3.066000       1.264000      268.5011      66.5   
1 1 1 1  18 53 o 7.025000       1.309000      382.7918      40.7   
1 1 1 1  18 54 o 3.614000       1.328000      241.6205      39.2   
1 1 1 1  18 55 o 6.795000       1.400000      344.5906      -55.2  
1 1 1 1  18 56 o 13.52000       1.487000      540.4939      -92.2  
1 1 1 1  18 57 o 7.393000       1.471000      306.1628      85.9   
1 1 1 1  18 58 o 53.98000       2.302000      ?             ?      
1 1 1 1  18 59 f 2.326000       1.820000      ?             ?      
1 1 1 1  18 60 o 5.587000       2.153000      ?             ?      
1 1 1 1  18 61 o 10.33000       1.641000      ?             ?      
1 1 1 1  18 62 o 4.677000       1.354000      ?             ?      
1 1 1 1  18 63 o 2.558000       1.349000      ?             ?      
1 1 1 1  18 64 o -0.8078000E-02 1.356000      ?             ?      
1 1 1 1  18 65 o -0.5780000     1.359000      ?             ?      
1 1 1 1  18 66 o 6.288000       1.413000      ?             ?      
1 1 1 1  18 67 o 6.208000       1.398000      ?             ?      
1 1 1 1  18 68 o 4.405000       1.407000      ?             ?      
1 1 1 1  18 69 o 1.543000       1.368000      ?             ?      
1 1 1 1  18 70 o -0.9604000E-01 1.393000      ?             ?      
1 1 1 1  18 71 o -0.9779000     1.577000      ?             ?      
1 1 1 1  18 72 o -2.383000      1.602000      ?             ?      
1 1 1 1  18 73 o 0.5179000      1.456000      ?             ?      
1 1 1 1  18 74 o -4.293000      2.422000      ?             ?      
1 1 1 1  19 0  o 1.877000       0.7835000     111.4777      -90.0  
1 1 1 1  19 1  o 17.38000       0.5905000     385.0039      -169.8 
1 1 1 1  19 2  o -0.2871000     0.3611000     142.0009      -71.3  
1 1 1 1  19 3  o 8.257000       0.4444000     352.1062      -52.0  
1 1 1 1  19 4  o 7.867000       0.4144000     428.6455      -26.6  
1 1 1 1  19 5  o 6.412000       0.4264000     359.4278      95.4   
1 1 1 1  19 6  o 41.83000       1.026000      816.2596      -158.0 
1 1 1 1  19 7  o 13.58000       0.5325000     495.4244      -17.5  
1 1 1 1  19 8  o -0.6560000     0.6784000     171.0198      26.3   
1 1 1 1  19 9  o -0.7206000     0.8082000     90.02023      50.3   
1 1 1 1  19 10 o 2.561000       0.8064000     311.0700      28.0   
1 1 1 1  19 11 o 4.714000       0.5776000     45.14872      88.5   
1 1 1 1  19 12 o 4.700000       0.6267000     221.4160      136.0  
1 1 1 1  19 13 o 6.874000       0.4347000     79.20943      57.9   
1 1 1 1  19 14 o 2.822000       0.3954000     333.3344      14.4   
1 1 1 1  19 15 o 1.886000       0.3725000     62.58213      -56.8  
1 1 1 1  19 16 o 6.041000       0.4431000     540.8702      14.3   
1 1 1 1  19 17 o 3.776000       0.5294000     426.3904      -0.7   
1 1 1 1  19 18 o 36.01000       0.9442000     882.8800      72.4   
1 1 1 1  19 19 o 33.28000       0.9333000     615.8552      -47.7  
1 1 1 1  19 20 o 11.15000       0.6538000     509.1708      152.8  
1 1 1 1  19 21 o 6.007000       0.6580000     429.6316      147.1  
1 1 1 1  19 22 o 7.269000       0.7151000     246.9854      130.3  
1 1 1 1  19 23 o 0.8642000      0.7304000     220.6777      -142.4 
1 1 1 1  19 24 o 8.654000       0.8204000     372.4482      -17.7  
1 1 1 1  19 25 o 12.38000       0.9492000     369.4495      105.7  
1 1 1 1  19 26 o 31.48000       1.526000      581.5385      167.9  
1 1 1 1  19 27 o 16.31000       2.104000      464.1589      70.9   
1 1 1 1  19 28 o 9.716000       1.513000      481.6942      179.0  
1 1 1 1  19 29 o 11.30000       1.127000      286.1392      168.9  
1 1 1 1  19 30 o 18.16000       1.089000      607.3220      148.7  
1 1 1 1  19 31 o 1.562000       0.9759000     21.31257      -8.1   
1 1 1 1  19 32 o 24.19000       1.152000      604.1183      -21.4  
1 1 1 1  19 33 o 7.619000       1.015000      327.7040      71.0   
1 1 1 1  19 34 o 5.163000       0.9965000     388.4626      -45.1  
1 1 1 1  19 35 o 3.283000       0.9751000     236.9455      -65.7  
1 1 1 1  19 36 o 5.066000       0.9836000     265.5825      -47.2  
1 1 1 1  19 37 o 18.95000       1.088000      530.2141      126.9  
1 1 1 1  19 38 o 2.799000       0.9583000     373.3538      -86.5  
1 1 1 1  19 39 o 0.7094000      0.9584000     203.2478      -4.6   
1 1 1 1  19 40 o 24.96000       1.195000      644.1865      -143.8 
1 1 1 1  19 41 o 15.82000       1.101000      613.9391      160.6  
1 1 1 1  19 42 o 3.188000       1.121000      260.8341      66.1   
1 1 1 1  19 43 o 21.65000       1.553000      519.7322      0.7    
1 1 1 1  19 44 o 12.21000       1.503000      411.4672      0.3    
1 1 1 1  19 45 o 12.80000       1.615000      479.2797      132.3  
1 1 1 1  19 46 o 1.904000       1.176000      209.0383      -62.3  
1 1 1 1  19 47 o 1.352000       1.098000      158.0864      -115.0 
1 1 1 1  19 48 o 3.366000       1.143000      277.5793      -68.7  
1 1 1 1  19 49 o 1.286000       1.171000      190.4999      -13.1  
1 1 1 1  19 50 o 18.86000       1.346000      579.0453      153.1  
1 1 1 1  19 51 o 14.59000       1.354000      429.8452      156.5  
1 1 1 1  19 52 o 10.49000       1.327000      350.8093      -18.9  
1 1 1 1  19 53 o 13.41000       1.396000      521.0346      -126.4 
1 1 1 1  19 54 o 4.462000       1.371000      265.9500      21.3   
1 1 1 1  19 55 o 11.73000       1.465000      523.7303      20.2   
1 1 1 1  19 56 o 4.966000       1.437000      336.1189      166.0  
1 1 1 1  19 57 o 3.908000       1.585000      306.2807      -41.8  
1 1 1 1  19 58 o 5.069000       1.806000      227.8375      -158.8 
1 1 1 1  19 59 o 1.946000       1.504000      ?             ?      
1 1 1 1  19 60 o 4.014000       1.672000      ?             ?      
1 1 1 1  19 61 o -3.292000      1.813000      ?             ?      
1 1 1 1  19 62 o -1.452000      1.351000      ?             ?      
1 1 1 1  19 63 o 0.5403000      1.327000      ?             ?      
1 1 1 1  19 64 o 4.070000       1.369000      ?             ?      
1 1 1 1  19 65 o 5.638000       1.400000      ?             ?      
1 1 1 1  19 66 o 1.968000       1.377000      ?             ?      
1 1 1 1  19 67 o 1.569000       1.374000      ?             ?      
1 1 1 1  19 68 o 2.732000       1.381000      ?             ?      
1 1 1 1  19 69 o 1.792000       1.371000      ?             ?      
1 1 1 1  19 70 o -1.009000      1.372000      ?             ?      
1 1 1 1  19 71 o 0.2901000E-01  1.592000      ?             ?      
1 1 1 1  19 72 o -1.519000      1.600000      ?             ?      
1 1 1 1  19 73 o 6.004000       1.735000      ?             ?      
1 1 1 1  19 74 o -0.5121000     1.984000      ?             ?      
1 1 1 1  20 0  o 0.9485000      0.5539000     5.063272      90.0   
1 1 1 1  20 1  o 12.35000       0.4870000     512.6356      58.8   
1 1 1 1  20 2  o 4.834000       0.4329000     177.4743      -145.4 
1 1 1 1  20 3  o 0.1367000      0.4086000     158.1334      -67.3  
1 1 1 1  20 4  o 6.709000       0.4128000     376.6821      29.2   
1 1 1 1  20 5  o 3.535000       0.3408000     219.7507      -54.8  
1 1 1 1  20 6  o 6.889000       0.3645000     298.6243      132.9  
1 1 1 1  20 7  o 15.46000       0.5847000     378.3914      94.8   
1 1 1 1  20 9  o 56.02000       2.141000      759.0360      -79.2  
1 1 1 1  20 10 o 7.384000       0.6475000     214.0266      -172.8 
1 1 1 1  20 11 o 8.660000       0.6533000     344.6893      -117.9 
1 1 1 1  20 12 o 4.704000       0.6130000     147.6099      6.4    
1 1 1 1  20 13 f 0.4562000      0.6599000     201.8330      154.2  
1 1 1 1  20 14 o 21.68000       0.7666000     545.5604      -55.2  
1 1 1 1  20 15 o 3.854000       0.4527000     349.6132      -144.8 
1 1 1 1  20 16 o 10.21000       0.4952000     227.2286      -82.2  
1 1 1 1  20 17 o 17.00000       0.6755000     588.2249      82.0   
1 1 1 1  20 18 o 14.27000       0.6199000     520.2442      88.0   
1 1 1 1  20 19 o 6.699000       0.5865000     192.0325      -146.8 
1 1 1 1  20 20 o 23.99000       0.8241000     372.5917      52.4   
1 1 1 1  20 21 o 5.236000       0.6764000     283.0349      120.1  
1 1 1 1  20 22 o 5.807000       0.7406000     288.3755      -59.8  
1 1 1 1  20 23 o 6.111000       0.7963000     435.8044      -77.9  
1 1 1 1  20 24 o 21.91000       0.9987000     260.1017      -106.3 
1 1 1 1  20 25 o 0.3033000      0.9719000     200.8937      -123.9 
1 1 1 1  20 26 o 0.6603000      1.149000      186.2855      43.8   
1 1 1 1  20 27 o 1.965000       1.303000      376.7343      -99.9  
1 1 1 1  20 28 o 11.36000       1.742000      241.1674      162.5  
1 1 1 1  20 29 o 4.691000       1.239000      262.7496      179.7  
1 1 1 1  20 30 o 6.838000       0.9849000     443.8694      -108.7 
1 1 1 1  20 31 o 3.783000       0.9794000     252.6974      101.2  
1 1 1 1  20 32 o 12.50000       1.026000      526.7211      116.5  
1 1 1 1  20 33 o 19.21000       1.097000      468.0732      -73.1  
1 1 1 1  20 34 o 2.068000       0.9681000     307.6018      -77.3  
1 1 1 1  20 35 o 15.99000       1.057000      330.2035      67.6   
1 1 1 1  20 36 o 5.493000       0.9728000     276.1827      15.6   
1 1 1 1  20 37 o 2.216000       0.9596000     278.9978      144.2  
1 1 1 1  20 38 o 6.404000       0.9705000     280.8408      91.6   
1 1 1 1  20 39 o 19.29000       1.114000      414.6876      -58.1  
1 1 1 1  20 40 o -1.652000      1.084000      139.0165      23.7   
1 1 1 1  20 41 o 1.463000       1.000000      198.9894      -133.1 
1 1 1 1  20 42 o 3.380000       1.130000      318.9667      -105.0 
1 1 1 1  20 43 o 18.08000       1.321000      431.9802      -55.4  
1 1 1 1  20 44 o 3.123000       1.171000      127.4020      112.6  
1 1 1 1  20 45 o 2.394000       1.523000      140.7925      -0.6   
1 1 1 1  20 46 o 3.861000       1.317000      227.4181      114.6  
1 1 1 1  20 47 o 1.663000       1.119000      174.4139      52.6   
1 1 1 1  20 48 o 4.731000       1.169000      280.2028      93.0   
1 1 1 1  20 49 o 4.058000       1.199000      243.4206      -6.8   
1 1 1 1  20 50 o 1.773000       1.243000      174.6360      85.8   
1 1 1 1  20 51 o 26.01000       1.507000      657.5497      -101.3 
1 1 1 1  20 52 o 18.37000       1.466000      488.3651      54.9   
1 1 1 1  20 53 o 19.73000       1.482000      613.4578      54.0   
1 1 1 1  20 54 f 6.077000       1.404000      174.6113      -66.5  
1 1 1 1  20 55 o 2.989000       1.408000      125.7175      -90.5  
1 1 1 1  20 56 o 5.376000       1.444000      355.9131      -107.7 
1 1 1 1  20 57 o 10.81000       1.673000      403.6460      -87.7  
1 1 1 1  20 58 o 4.498000       1.568000      ?             ?      
1 1 1 1  20 59 o 8.057000       1.417000      ?             ?      
1 1 1 1  20 60 o 2.131000       1.649000      ?             ?      
1 1 1 1  20 61 o 4.465000       2.069000      ?             ?      
1 1 1 1  20 62 o 0.5252000      1.557000      ?             ?      
1 1 1 1  20 63 o 0.8088000      1.340000      ?             ?      
1 1 1 1  20 64 o 0.2844000      1.346000      ?             ?      
1 1 1 1  20 65 o 1.933000       1.346000      ?             ?      
1 1 1 1  20 66 o 3.431000       1.368000      ?             ?      
1 1 1 1  20 67 o 2.968000       1.373000      ?             ?      
1 1 1 1  20 68 o 1.762000       1.372000      ?             ?      
1 1 1 1  20 69 o 0.7819000      1.366000      ?             ?      
1 1 1 1  20 70 o -0.7327000     1.548000      ?             ?      
1 1 1 1  20 71 o -1.762000      2.589000      ?             ?      
1 1 1 1  20 72 o -0.1814000E-01 1.842000      ?             ?      
1 1 1 1  20 73 o 1.937000       1.716000      ?             ?      
1 1 1 1  21 0  o 3.858000       0.5978000     342.1985      90.0   
1 1 1 1  21 1  o 2.864000       0.4193000     150.1593      61.8   
1 1 1 1  21 2  o 3.719000       0.4926000     42.59412      -8.2   
1 1 1 1  21 3  o 3.760000       0.4085000     158.4683      -38.4  
1 1 1 1  21 4  o 12.42000       0.5497000     236.4588      138.0  
1 1 1 1  21 5  o 4.146000       0.3913000     302.9478      76.3   
1 1 1 1  21 6  o 6.116000       0.3719000     294.1114      -98.2  
1 1 1 1  21 7  o 0.8659000      0.5065000     114.2123      171.6  
1 1 1 1  21 9  o 3.408000       0.5585000     190.9005      8.7    
1 1 1 1  21 10 o 2.482000       1.054000      34.76743      123.6  
1 1 1 1  21 11 o 10.25000       0.9631000     175.0706      -21.7  
1 1 1 1  21 12 o 11.08000       0.7519000     230.8655      -42.6  
1 1 1 1  21 13 o 6.349000       0.7451000     314.6494      69.4   
1 1 1 1  21 14 o 2.005000       0.3817000     115.6901      -41.6  
1 1 1 1  21 15 o 2.189000       0.4917000     48.13839      -90.4  
1 1 1 1  21 16 o 4.344000       0.4987000     125.9312      -43.2  
1 1 1 1  21 17 o 0.2146000      0.4665000     154.7892      99.1   
1 1 1 1  21 18 o 7.228000       0.5472000     244.2944      179.2  
1 1 1 1  21 19 o 7.658000       0.6222000     142.4330      -20.1  
1 1 1 1  21 20 o 10.58000       0.8681000     224.6357      104.9  
1 1 1 1  21 21 o 0.6388000      0.6808000     210.3667      -29.2  
1 1 1 1  21 22 o 23.75000       0.9396000     486.0911      -124.6 
1 1 1 1  21 23 o 5.766000       0.8340000     216.0245      89.4   
1 1 1 1  21 24 o 3.790000       0.8884000     257.5719      -37.7  
1 1 1 1  21 25 o 2.073000       1.113000      199.4099      143.5  
1 1 1 1  21 26 o 1.442000       1.063000      296.3346      -6.5   
1 1 1 1  21 27 o 7.201000       1.008000      234.4926      163.9  
1 1 1 1  21 28 o 6.134000       1.273000      288.1452      159.7  
1 1 1 1  21 29 o 21.24000       1.688000      318.5766      -25.5  
1 1 1 1  21 30 o 4.467000       1.094000      217.6319      104.3  
1 1 1 1  21 31 o 10.92000       1.011000      525.8538      -89.4  
1 1 1 1  21 32 o 4.585000       1.082000      75.30556      -148.6 
1 1 1 1  21 33 o 13.38000       1.042000      261.7473      -155.7 
1 1 1 1  21 34 o 15.31000       1.052000      342.7152      -126.3 
1 1 1 1  21 35 o 0.6450000      0.9398000     159.0089      44.6   
1 1 1 1  21 36 o 4.229000       0.9567000     231.1165      25.0   
1 1 1 1  21 37 o 2.007000       0.9463000     222.1326      13.1   
1 1 1 1  21 38 o 4.463000       0.9770000     259.2506      -139.5 
1 1 1 1  21 39 o 3.454000       0.9764000     178.0116      -163.9 
1 1 1 1  21 40 o 3.541000       0.9801000     180.1267      179.4  
1 1 1 1  21 41 o 2.577000       1.088000      170.7726      106.0  
1 1 1 1  21 42 o 20.80000       1.522000      316.7444      13.7   
1 1 1 1  21 43 o 6.849000       1.149000      176.0444      4.4    
1 1 1 1  21 44 o 18.10000       1.198000      453.8264      26.3   
1 1 1 1  21 45 o 6.875000       1.334000      285.2405      158.8  
1 1 1 1  21 46 o 8.532000       1.801000      228.1294      -35.2  
1 1 1 1  21 47 o 4.043000       1.261000      170.1755      -164.4 
1 1 1 1  21 48 o 4.427000       1.179000      133.8258      79.1   
1 1 1 1  21 49 o 1.809000       1.194000      131.0420      -158.0 
1 1 1 1  21 50 o 13.94000       1.348000      342.3327      159.1  
1 1 1 1  21 51 o 7.109000       1.348000      172.8490      151.8  
1 1 1 1  21 52 o 14.63000       1.447000      336.8981      -152.3 
1 1 1 1  21 53 o 8.054000       1.418000      219.0590      -111.5 
1 1 1 1  21 54 o 8.708000       1.447000      312.1510      22.7   
1 1 1 1  21 55 o 10.11000       1.472000      350.6747      0.2    
1 1 1 1  21 56 o 0.1734000      1.566000      121.9320      -10.4  
1 1 1 1  21 57 o 12.64000       1.945000      437.9255      -6.5   
1 1 1 1  21 58 o 4.931000       1.580000      ?             ?      
1 1 1 1  21 59 o 2.336000       1.368000      ?             ?      
1 1 1 1  21 60 o 3.147000       1.372000      ?             ?      
1 1 1 1  21 61 o -0.7581000     1.579000      ?             ?      
1 1 1 1  21 62 o 0.6062000      1.768000      ?             ?      
1 1 1 1  21 63 o 5.014000       1.351000      ?             ?      
1 1 1 1  21 64 o 1.951000       1.344000      ?             ?      
1 1 1 1  21 65 o 2.405000       1.356000      ?             ?      
1 1 1 1  21 66 o 2.182000       1.352000      ?             ?      
1 1 1 1  21 67 o 0.5516000      1.343000      ?             ?      
1 1 1 1  21 68 o 0.3714000      1.340000      ?             ?      
1 1 1 1  21 69 o -0.6145000     1.500000      ?             ?      
1 1 1 1  21 70 o -1.047000      1.949000      ?             ?      
1 1 1 1  21 71 o 0.6653000      2.012000      ?             ?      
1 1 1 1  21 72 o -2.748000      2.018000      ?             ?      
1 1 1 1  21 73 o 2.697000       1.459000      ?             ?      
1 1 1 1  22 0  o 1.500000       0.6158000     76.38901      90.0   
1 1 1 1  22 1  o 1.752000       0.4378000     102.4543      9.7    
1 1 1 1  22 2  o 1.635000       0.4303000     136.6725      -38.9  
1 1 1 1  22 3  o 1.302000       0.4193000     236.9659      -101.2 
1 1 1 1  22 4  o 1.134000       0.4067000     30.92941      27.5   
1 1 1 1  22 5  o 1.064000       0.3793000     95.17113      159.7  
1 1 1 1  22 6  o 3.360000       0.3596000     37.08598      -139.1 
1 1 1 1  22 7  o 7.930000       0.4361000     339.2064      162.8  
1 1 1 1  22 8  o 1.904000       0.4338000     192.1016      -53.8  
1 1 1 1  22 9  o 9.542000       1.027000      359.2017      161.3  
1 1 1 1  22 10 o 1.095000       0.9059000     300.3337      -174.6 
1 1 1 1  22 11 o 1.562000       1.150000      265.4093      13.7   
1 1 1 1  22 12 o -1.399000      1.326000      82.78886      -131.7 
1 1 1 1  22 13 o 11.38000       0.8236000     417.9563      90.6   
1 1 1 1  22 14 o 6.430000       0.7880000     218.1774      85.4   
1 1 1 1  22 15 o 8.743000       0.5494000     270.0974      -35.6  
1 1 1 1  22 16 o 5.820000       0.8629000     531.4309      95.2   
1 1 1 1  22 17 o 9.915000       0.7505000     295.3761      -125.0 
1 1 1 1  22 18 o 6.127000       0.6628000     335.3455      67.9   
1 1 1 1  22 19 o 10.28000       0.7732000     273.2842      99.7   
1 1 1 1  22 20 o 5.263000       0.6750000     221.0522      -81.7  
1 1 1 1  22 21 o 5.953000       0.7562000     453.7656      -170.2 
1 1 1 1  22 22 o 8.927000       0.8741000     379.6515      129.2  
1 1 1 1  22 23 o 9.128000       0.9086000     261.0248      5.1    
1 1 1 1  22 24 o 5.591000       0.9689000     324.4067      37.8   
1 1 1 1  22 25 o 6.133000       1.139000      325.1873      -122.1 
1 1 1 1  22 26 o 21.07000       1.271000      515.5211      143.5  
1 1 1 1  22 27 o 13.09000       1.125000      358.9620      142.2  
1 1 1 1  22 28 o 6.140000       1.158000      369.4845      -100.6 
1 1 1 1  22 30 o 14.39000       1.278000      197.4717      165.6  
1 1 1 1  22 31 o 1.289000       0.9291000     119.0446      -135.5 
1 1 1 1  22 32 o 15.50000       1.096000      353.9052      67.0   
1 1 1 1  22 33 o 11.18000       1.061000      378.3282      58.9   
1 1 1 1  22 34 o 2.976000       0.9347000     158.9996      82.0   
1 1 1 1  22 35 o 3.316000       0.9449000     227.8702      31.1   
1 1 1 1  22 36 o 19.61000       1.094000      542.1528      101.6  
1 1 1 1  22 37 o 5.025000       0.9699000     316.6772      -116.9 
1 1 1 1  22 38 o 23.76000       1.167000      458.5149      60.8   
1 1 1 1  22 39 o 6.891000       0.9901000     302.5722      93.7   
1 1 1 1  22 40 o 2.375000       0.9836000     313.6952      -88.3  
1 1 1 1  22 41 o 3.367000       1.117000      127.7288      -29.5  
1 1 1 1  22 42 o 7.884000       1.181000      309.1877      51.2   
1 1 1 1  22 43 o 5.721000       1.063000      329.4561      92.8   
1 1 1 1  22 44 o 2.360000       1.063000      102.3758      -173.2 
1 1 1 1  22 45 o 1.627000       1.207000      58.62194      -116.5 
1 1 1 1  22 46 o 0.4099000      1.575000      67.42014      12.6   
1 1 1 1  22 47 o 15.68000       1.500000      481.8193      -133.8 
1 1 1 1  22 48 o 17.37000       1.302000      378.0639      -111.0 
1 1 1 1  22 49 o 9.520000       1.256000      294.8698      -55.4  
1 1 1 1  22 50 o 1.335000       1.257000      181.7154      -119.2 
1 1 1 1  22 51 o 14.05000       1.411000      434.2714      -69.6  
1 1 1 1  22 52 o 2.888000       1.354000      199.6073      -3.0   
1 1 1 1  22 53 o 8.013000       1.413000      337.2903      25.2   
1 1 1 1  22 54 o 6.450000       1.431000      267.0647      111.8  
1 1 1 1  22 55 o 4.462000       1.436000      184.7455      60.4   
1 1 1 1  22 56 o -0.4572000E-01 1.576000      76.66821      86.3   
1 1 1 1  22 57 o 1.973000       1.588000      ?             ?      
1 1 1 1  22 58 o 9.817000       1.438000      ?             ?      
1 1 1 1  22 59 o 3.488000       1.353000      ?             ?      
1 1 1 1  22 60 o -0.7828000     1.324000      ?             ?      
1 1 1 1  22 61 o 1.093000       1.540000      ?             ?      
1 1 1 1  22 62 o 2.914000       1.993000      ?             ?      
1 1 1 1  22 63 o 2.284000       1.553000      ?             ?      
1 1 1 1  22 64 o 0.4998000      1.324000      ?             ?      
1 1 1 1  22 65 o 4.601000       1.353000      ?             ?      
1 1 1 1  22 66 o 2.048000       1.348000      ?             ?      
1 1 1 1  22 67 o -1.849000      1.459000      ?             ?      
1 1 1 1  22 68 o 1.074000       1.598000      ?             ?      
1 1 1 1  22 69 o 1.323000       1.957000      ?             ?      
1 1 1 1  22 70 o -0.3508000E-01 2.278000      ?             ?      
1 1 1 1  22 71 o 1.945000       1.584000      ?             ?      
1 1 1 1  22 72 o -1.138000      1.424000      ?             ?      
1 1 1 1  22 73 o 1.058000       1.467000      ?             ?      
1 1 1 1  23 0  o 2.032000       0.6704000     161.9154      90.0   
1 1 1 1  23 1  o 4.498000       0.4928000     201.3498      13.8   
1 1 1 1  23 2  o 18.50000       0.7917000     615.6730      -77.9  
1 1 1 1  23 3  o 4.263000       0.4612000     332.0831      124.9  
1 1 1 1  23 4  o 14.11000       0.5561000     343.4923      -111.9 
1 1 1 1  23 5  o 30.90000       0.9630000     940.8226      -123.7 
1 1 1 1  23 6  o 7.484000       0.4549000     452.9169      -44.6  
1 1 1 1  23 7  o 4.468000       0.3888000     390.3947      36.1   
1 1 1 1  23 8  o 44.22000       1.137000      830.4201      -129.2 
1 1 1 1  23 9  o 17.03000       0.9087000     670.8840      -95.9  
1 1 1 1  23 10 o -0.1816000     0.9361000     139.2363      8.4    
1 1 1 1  23 11 o 3.456000       1.374000      165.2110      97.4   
1 1 1 1  23 12 o 8.785000       1.498000      463.8163      -149.8 
1 1 1 1  23 13 o 4.618000       1.073000      168.9554      125.3  
1 1 1 1  23 14 o 49.65000       2.369000      683.1912      16.6   
1 1 1 1  23 15 o 43.66000       2.109000      543.4180      -170.4 
1 1 1 1  23 16 o 7.149000       0.9500000     727.5791      38.1   
1 1 1 1  23 17 o 23.77000       0.8753000     686.2766      163.6  
1 1 1 1  23 18 o 1.724000       0.5269000     377.9217      -3.9   
1 1 1 1  23 19 o 6.962000       0.7247000     281.9720      159.8  
1 1 1 1  23 20 o 14.55000       0.9613000     705.9460      -11.9  
1 1 1 1  23 21 o 12.23000       0.7794000     328.7740      -3.9   
1 1 1 1  23 22 o 2.238000       0.7636000     306.3699      91.6   
1 1 1 1  23 23 o 23.86000       1.059000      623.6246      119.1  
1 1 1 1  23 24 o 9.092000       1.109000      611.7655      -160.6 
1 1 1 1  23 25 o 1.858000       1.019000      155.7142      -43.1  
1 1 1 1  23 26 o 32.10000       1.496000      580.3371      -71.9  
1 1 1 1  23 27 o 23.83000       1.149000      557.8387      -115.6 
1 1 1 1  23 28 o 5.695000       0.9931000     105.0319      -73.0  
1 1 1 1  23 29 o -2.153000      1.178000      326.1372      -38.5  
1 1 1 1  23 30 o 13.60000       1.482000      268.5390      2.0    
1 1 1 1  23 31 o 4.214000       1.041000      177.7931      -59.2  
1 1 1 1  23 32 o 36.99000       1.288000      880.7556      20.0   
1 1 1 1  23 33 o 4.477000       0.9209000     128.1329      -106.9 
1 1 1 1  23 34 o 5.685000       0.9184000     100.4850      -119.3 
1 1 1 1  23 35 o 1.792000       0.9158000     231.1362      136.9  
1 1 1 1  23 36 o 9.323000       0.9763000     416.4416      157.7  
1 1 1 1  23 37 o 12.87000       1.019000      374.4999      -173.5 
1 1 1 1  23 38 o 10.46000       1.013000      385.9015      121.2  
1 1 1 1  23 39 o 4.922000       0.9746000     424.2345      150.5  
1 1 1 1  23 40 o 5.113000       1.082000      209.1181      -161.9 
1 1 1 1  23 41 o 6.644000       1.273000      291.0293      133.2  
1 1 1 1  23 42 o 12.17000       1.157000      399.6237      147.9  
1 1 1 1  23 43 o 0.6491000      1.033000      173.5766      -78.4  
1 1 1 1  23 44 o 2.033000       1.062000      190.0864      -148.4 
1 1 1 1  23 45 o 12.78000       1.175000      407.4470      42.3   
1 1 1 1  23 46 o 3.233000       1.391000      208.1973      8.6    
1 1 1 1  23 47 o 2.492000       1.839000      131.2808      25.8   
1 1 1 1  23 48 o -0.5753000     1.299000      70.60751      -45.4  
1 1 1 1  23 49 o 27.68000       1.472000      655.4432      -1.4   
1 1 1 1  23 50 o 13.64000       1.351000      520.5552      23.1   
1 1 1 1  23 51 o 15.05000       1.400000      433.5423      170.7  
1 1 1 1  23 52 o 2.899000       1.342000      268.0564      -172.4 
1 1 1 1  23 53 o 13.82000       1.458000      404.5039      0.6    
1 1 1 1  23 54 o 3.829000       1.400000      186.9023      123.4  
1 1 1 1  23 55 o 0.1926000      1.539000      41.52739      108.3  
1 1 1 1  23 56 o 21.15000       2.020000      663.1013      25.3   
1 1 1 1  23 57 o 2.324000       1.556000      ?             ?      
1 1 1 1  23 58 o -2.287000      1.350000      ?             ?      
1 1 1 1  23 59 o 2.440000       1.339000      ?             ?      
1 1 1 1  23 60 o 2.179000       1.389000      ?             ?      
1 1 1 1  23 61 o 1.146000       1.301000      ?             ?      
1 1 1 1  23 62 o 0.7590000      1.556000      ?             ?      
1 1 1 1  23 63 o 2.101000       1.577000      ?             ?      
1 1 1 1  23 64 o 0.4719000      1.335000      ?             ?      
1 1 1 1  23 65 o 2.040000       1.467000      ?             ?      
1 1 1 1  23 66 o 0.1687000      1.584000      ?             ?      
1 1 1 1  23 67 o 0.5195000      1.630000      ?             ?      
1 1 1 1  23 68 o -0.3479000     1.504000      ?             ?      
1 1 1 1  23 69 o 0.5911000      1.542000      ?             ?      
1 1 1 1  23 70 o 0.3733000      1.560000      ?             ?      
1 1 1 1  23 71 o 0.7589000      1.405000      ?             ?      
1 1 1 1  23 72 o 0.9343000      2.021000      ?             ?      
1 1 1 1  24 0  o 87.43000       3.704000      958.9692      90.0   
1 1 1 1  24 1  o 53.64000       1.336000      936.0733      -31.3  
1 1 1 1  24 2  o 17.23000       0.6368000     456.4084      88.7   
1 1 1 1  24 3  o 6.342000       0.5372000     235.3473      34.3   
1 1 1 1  24 4  o 6.532000       0.4980000     255.2786      -92.5  
1 1 1 1  24 5  o 27.32000       0.9122000     550.2092      43.1   
1 1 1 1  24 6  o 2.229000       0.4871000     74.39980      -95.3  
1 1 1 1  24 7  o 26.79000       0.8309000     932.7100      -34.3  
1 1 1 1  24 8  o 25.94000       0.6722000     616.3046      -42.9  
1 1 1 1  24 9  o 13.25000       0.8499000     839.1547      142.1  
1 1 1 1  24 10 o 10.24000       1.031000      597.9556      108.7  
1 1 1 1  24 11 o 12.02000       1.088000      504.2005      5.7    
1 1 1 1  24 12 o 32.53000       1.492000      733.1901      111.9  
1 1 1 1  24 13 o 46.16000       1.856000      1112.120      88.9   
1 1 1 1  24 14 o 22.45000       2.101000      463.7152      40.3   
1 1 1 1  24 15 o 31.47000       1.735000      844.2932      126.8  
1 1 1 1  24 16 o 113.2000       3.218000      1476.572      -110.8 
1 1 1 1  24 17 o 5.830000       0.6602000     285.7536      -115.6 
1 1 1 1  24 18 o 8.146000       0.8001000     392.0236      113.3  
1 1 1 1  24 19 o 26.74000       1.105000      700.3743      -155.1 
1 1 1 1  24 20 o 4.630000       0.6654000     192.3330      -85.9  
1 1 1 1  24 21 o 16.42000       0.8247000     854.7299      -154.2 
1 1 1 1  24 22 o 2.935000       0.7957000     390.2854      176.9  
1 1 1 1  24 23 o 11.12000       0.9220000     435.8348      69.7   
1 1 1 1  24 24 o 96.85000       4.196000      1518.413      81.8   
1 1 1 1  24 25 o -2.333000      0.9307000     72.00118      -17.4  
1 1 1 1  24 26 o 0.1659000      0.8943000     249.5050      -98.8  
1 1 1 1  24 27 o 4.384000       0.8952000     280.6359      -104.5 
1 1 1 1  24 28 o 12.70000       0.9611000     306.6389      -47.7  
1 1 1 1  24 29 o 8.093000       1.051000      640.9799      -95.7  
1 1 1 1  24 30 o 9.835000       1.376000      444.9402      106.8  
1 1 1 1  24 31 o 65.57000       2.544000      868.0067      86.6   
1 1 1 1  24 32 o 0.5387000      0.8933000     520.2158      -35.9  
1 1 1 1  24 33 o 14.65000       0.9743000     548.2267      127.4  
1 1 1 1  24 34 o 7.951000       0.9331000     325.9525      124.5  
1 1 1 1  24 35 o 9.238000       0.9628000     521.8948      129.5  
1 1 1 1  24 36 o 15.46000       1.021000      663.7638      124.2  
1 1 1 1  24 37 o 14.70000       1.018000      385.1730      -168.0 
1 1 1 1  24 38 o 4.482000       0.9541000     285.0217      -159.1 
1 1 1 1  24 39 o 0.9772000      0.9399000     23.03632      -155.2 
1 1 1 1  24 40 o 3.207000       1.066000      156.7751      -166.6 
1 1 1 1  24 41 o 5.404000       1.111000      320.4426      92.7   
1 1 1 1  24 42 o 1.363000       1.016000      168.2863      83.8   
1 1 1 1  24 43 o 32.05000       1.340000      764.4957      -88.5  
1 1 1 1  24 44 o 21.84000       1.254000      775.9014      -125.4 
1 1 1 1  24 45 o 5.048000       1.134000      239.2195      -163.9 
1 1 1 1  24 46 o 5.387000       1.272000      261.0599      -33.2  
1 1 1 1  24 47 o 3.824000       1.644000      275.6313      -65.0  
1 1 1 1  24 48 o 1.865000       1.421000      219.3085      95.7   
1 1 1 1  24 49 o 9.160000       1.316000      477.4294      140.8  
1 1 1 1  24 50 o 24.58000       1.466000      598.1865      -91.5  
1 1 1 1  24 51 o 5.816000       1.333000      345.2679      -37.7  
1 1 1 1  24 52 o 0.2901000      1.333000      104.5497      30.2   
1 1 1 1  24 53 o 3.915000       1.377000      266.5685      -119.7 
1 1 1 1  24 54 o 3.392000       1.395000      278.8992      -98.9  
1 1 1 1  24 55 o 22.98000       1.770000      614.6494      88.1   
1 1 1 1  24 56 o -0.3604000     1.556000      ?             ?      
1 1 1 1  24 57 o 0.8807000      1.375000      ?             ?      
1 1 1 1  24 58 o 5.634000       1.391000      ?             ?      
1 1 1 1  24 59 o 0.7852000      1.331000      ?             ?      
1 1 1 1  24 60 o -0.8831000     1.298000      ?             ?      
1 1 1 1  24 61 o 2.591000       1.313000      ?             ?      
1 1 1 1  24 62 o 4.728000       1.604000      ?             ?      
1 1 1 1  24 63 o 4.209000       2.048000      ?             ?      
1 1 1 1  24 64 o 4.284000       1.561000      ?             ?      
1 1 1 1  24 65 o 0.7829000      1.604000      ?             ?      
1 1 1 1  24 66 o -0.6386000     1.762000      ?             ?      
1 1 1 1  24 67 o 11.54000       1.465000      ?             ?      
1 1 1 1  24 68 o 1.482000       1.561000      ?             ?      
1 1 1 1  24 69 o 3.873000       1.807000      ?             ?      
1 1 1 1  24 70 o 1.618000       1.562000      ?             ?      
1 1 1 1  24 71 o -1.773000      1.395000      ?             ?      
1 1 1 1  24 72 o 0.9653000      1.421000      ?             ?      
1 1 1 1  25 0  o 26.91000       1.140000      897.6620      90.0   
1 1 1 1  25 1  o 25.43000       0.7821000     931.5283      -172.3 
1 1 1 1  25 2  o 52.15000       1.220000      1142.763      -39.4  
1 1 1 1  25 3  o 1.713000       0.5268000     146.8826      5.7    
1 1 1 1  25 4  o 28.94000       0.8199000     755.2958      -172.2 
1 1 1 1  25 5  o 8.503000       0.6513000     468.9118      -77.7  
1 1 1 1  25 6  o 81.76000       2.376000      1325.823      64.0   
1 1 1 1  25 7  o 19.14000       0.6453000     359.2036      -54.6  
1 1 1 1  25 8  o 97.00000       2.047000      1695.640      -77.5  
1 1 1 1  25 9  o 21.87000       1.042000      801.0143      -115.4 
1 1 1 1  25 10 o 23.37000       1.272000      657.0383      108.0  
1 1 1 1  25 11 o 14.49000       1.150000      753.0670      -133.3 
1 1 1 1  25 12 f 3.285000       1.113000      371.5503      -1.6   
1 1 1 1  25 13 o 55.19000       2.080000      1167.888      23.8   
1 1 1 1  25 14 o 319.9000       12.87000      2254.625      -18.0  
1 1 1 1  25 15 o 56.98000       2.175000      933.8132      153.8  
1 1 1 1  25 16 o 27.91000       1.358000      764.4479      -28.3  
1 1 1 1  25 17 o 25.26000       1.786000      488.6343      -80.1  
1 1 1 1  25 18 o 2.128000       0.6694000     333.0331      -94.2  
1 1 1 1  25 19 o 35.38000       1.250000      720.0352      -46.1  
1 1 1 1  25 20 o 79.63000       2.193000      1325.620      -7.2   
1 1 1 1  25 21 o 33.18000       1.475000      897.2672      7.9    
1 1 1 1  25 22 o 10.08000       0.8297000     405.5545      -5.6   
1 1 1 1  25 23 o 74.34000       3.302000      1506.116      168.0  
1 1 1 1  25 24 o -2.318000      0.8480000     370.1853      -138.0 
1 1 1 1  25 25 o 10.24000       0.8640000     284.1068      -85.1  
1 1 1 1  25 26 o 49.55000       1.388000      700.9797      -118.2 
1 1 1 1  25 27 o 17.66000       0.9607000     329.5198      -8.9   
1 1 1 1  25 28 o 15.05000       0.9663000     546.7473      -105.6 
1 1 1 1  25 29 o 19.77000       1.004000      722.5777      172.7  
1 1 1 1  25 30 o 3.659000       1.067000      136.9865      18.2   
1 1 1 1  25 31 o 7.060000       1.473000      227.3103      135.3  
1 1 1 1  25 32 o 19.07000       1.231000      762.4254      -50.3  
1 1 1 1  25 33 o 3.290000       0.8842000     222.6388      -12.6  
1 1 1 1  25 34 o 107.6000       2.473000      1481.922      174.6  
1 1 1 1  25 35 o 2.925000       0.9154000     378.6225      86.9   
1 1 1 1  25 36 o 15.09000       1.019000      474.0772      -136.2 
1 1 1 1  25 37 o 13.74000       1.008000      560.9819      165.7  
1 1 1 1  25 38 o 16.38000       1.044000      611.8934      47.6   
1 1 1 1  25 39 o 8.664000       1.063000      338.1270      -101.6 
1 1 1 1  25 40 o 5.630000       1.201000      370.0663      169.6  
1 1 1 1  25 41 o 5.270000       1.065000      245.7251      -58.0  
1 1 1 1  25 42 o 3.704000       1.021000      231.7228      134.5  
1 1 1 1  25 43 o 36.13000       1.411000      813.4786      -15.3  
1 1 1 1  25 44 o 0.2933000      1.082000      62.96934      -29.1  
1 1 1 1  25 45 o 57.10000       1.780000      1075.792      23.6   
1 1 1 1  25 46 o 3.732000       1.150000      302.9766      0.7    
1 1 1 1  25 47 o 6.448000       1.462000      273.5879      -91.6  
1 1 1 1  25 48 o 10.43000       1.993000      454.5478      -55.4  
1 1 1 1  25 49 o 26.30000       1.749000      788.2120      12.2   
1 1 1 1  25 50 o 1.263000       1.301000      116.8985      -58.5  
1 1 1 1  25 51 o 1.620000       1.321000      145.3571      -25.5  
1 1 1 1  25 52 o 5.257000       1.360000      379.9550      4.5    
1 1 1 1  25 53 o 20.43000       1.584000      712.0159      27.7   
1 1 1 1  25 54 o 14.12000       1.603000      518.4258      171.6  
1 1 1 1  25 55 o 24.93000       1.987000      666.1677      7.2    
1 1 1 1  25 56 o 21.69000       1.724000      ?             ?      
1 1 1 1  25 57 o 4.612000       1.387000      ?             ?      
1 1 1 1  25 58 o -0.2216000     1.353000      ?             ?      
1 1 1 1  25 59 o 7.581000       1.377000      ?             ?      
1 1 1 1  25 60 o 2.040000       1.302000      ?             ?      
1 1 1 1  25 61 o 11.40000       1.402000      ?             ?      
1 1 1 1  25 62 o 2.102000       1.574000      ?             ?      
1 1 1 1  25 63 o 1.434000       1.594000      ?             ?      
1 1 1 1  25 64 o 5.005000       2.047000      ?             ?      
1 1 1 1  25 65 o 1.519000       1.340000      ?             ?      
1 1 1 1  25 66 o 7.963000       1.399000      ?             ?      
1 1 1 1  25 67 o -2.311000      1.367000      ?             ?      
1 1 1 1  25 68 o 1.306000       1.543000      ?             ?      
1 1 1 1  25 69 o 3.454000       1.585000      ?             ?      
1 1 1 1  25 70 o 5.412000       1.998000      ?             ?      
1 1 1 1  25 71 o 2.555000       1.410000      ?             ?      
1 1 1 1  26 0  o 50.83000       1.730000      678.5914      90.0   
1 1 1 1  26 1  o 8.341000       0.6235000     315.5774      -41.5  
1 1 1 1  26 2  o 22.78000       0.7790000     819.3032      -172.3 
1 1 1 1  26 3  o 20.15000       0.7386000     391.9432      10.4   
1 1 1 1  26 4  o 66.44000       1.603000      1302.500      68.3   
1 1 1 1  26 5  o 20.83000       0.8709000     384.0775      -110.7 
1 1 1 1  26 6  o 125.2000       2.975000      1583.400      62.9   
1 1 1 1  26 7  o 56.55000       1.298000      1247.004      60.6   
1 1 1 1  26 8  o 167.0000       3.676000      1935.746      -85.1  
1 1 1 1  26 9  o 36.33000       1.115000      916.4838      93.2   
1 1 1 1  26 10 o 18.76000       1.242000      505.2305      2.6    
1 1 1 1  26 11 o 84.34000       2.736000      1375.634      62.2   
1 1 1 1  26 12 o 195.5000       5.699000      2218.807      82.6   
1 1 1 1  26 13 o 20.32000       1.393000      774.0816      77.1   
1 1 1 1  26 14 o 88.90000       4.183000      1348.995      65.0   
1 1 1 1  26 15 o 78.09000       2.665000      1434.806      42.4   
1 1 1 1  26 16 o 27.27000       2.218000      992.5032      -110.8 
1 1 1 1  26 17 o 155.5000       3.999000      2129.693      76.3   
1 1 1 1  26 18 o 30.26000       1.457000      891.6860      -69.0  
1 1 1 1  26 19 o 43.91000       1.458000      803.1035      -176.3 
1 1 1 1  26 20 o 82.16000       2.407000      1506.248      58.4   
1 1 1 1  26 21 o 176.1000       4.534000      1709.256      -88.2  
1 1 1 1  26 22 o 23.91000       0.9775000     503.4937      -127.5 
1 1 1 1  26 23 o 18.16000       1.382000      545.8543      12.2   
1 1 1 1  26 24 o 2.320000       0.8026000     340.2635      5.7    
1 1 1 1  26 25 o 40.91000       1.229000      960.1445      64.5   
1 1 1 1  26 26 o 10.23000       0.8552000     470.0157      -54.4  
1 1 1 1  26 27 o 26.66000       1.054000      695.5617      10.1   
1 1 1 1  26 28 o 2.287000       0.8447000     249.4523      53.0   
1 1 1 1  26 29 o 7.304000       0.8692000     410.2723      -83.9  
1 1 1 1  26 30 o 20.06000       1.009000      845.9926      18.1   
1 1 1 1  26 31 o 8.906000       1.308000      544.1248      64.5   
1 1 1 1  26 32 o 19.74000       1.478000      841.9660      -132.1 
1 1 1 1  26 33 o 26.08000       1.110000      609.9267      -76.3  
1 1 1 1  26 34 o 16.27000       1.014000      592.6294      -155.4 
1 1 1 1  26 35 o 5.713000       0.9174000     266.8777      -135.3 
1 1 1 1  26 36 o 55.04000       1.576000      986.2481      119.6  
1 1 1 1  26 37 o 9.078000       0.9671000     394.8337      -165.5 
1 1 1 1  26 38 o 8.698000       0.9918000     405.2256      119.8  
1 1 1 1  26 39 o 23.65000       1.360000      739.2823      -150.4 
1 1 1 1  26 40 o 0.3341000      1.066000      308.2676      -98.8  
1 1 1 1  26 41 f 6.417000       1.020000      154.5565      137.4  
1 1 1 1  26 42 o 31.29000       1.312000      770.6561      118.3  
1 1 1 1  26 43 o 10.72000       1.109000      548.3682      -121.5 
1 1 1 1  26 44 o 15.44000       1.176000      594.4043      130.5  
1 1 1 1  26 45 o 48.57000       1.659000      1022.585      85.6   
1 1 1 1  26 46 o 24.86000       1.358000      596.0021      39.9   
1 1 1 1  26 47 o 17.92000       1.329000      548.1035      73.4   
1 1 1 1  26 48 o 1.824000       1.722000      228.9173      133.8  
1 1 1 1  26 49 o 0.7122000      1.515000      211.3796      -111.4 
1 1 1 1  26 50 o 8.951000       1.357000      306.8279      56.1   
1 1 1 1  26 51 o 10.89000       1.395000      629.8625      105.8  
1 1 1 1  26 52 o 5.686000       1.387000      290.2811      127.2  
1 1 1 1  26 53 o 6.975000       1.523000      384.5003      -115.6 
1 1 1 1  26 54 o 21.54000       1.675000      705.9803      67.6   
1 1 1 1  26 55 o 16.30000       1.638000      ?             ?      
1 1 1 1  26 56 o 3.925000       1.377000      ?             ?      
1 1 1 1  26 57 o 19.43000       1.520000      ?             ?      
1 1 1 1  26 59 o 6.745000       1.350000      ?             ?      
1 1 1 1  26 60 o 7.202000       1.572000      ?             ?      
1 1 1 1  26 61 o 2.449000       1.520000      ?             ?      
1 1 1 1  26 62 o 4.135000       1.610000      ?             ?      
1 1 1 1  26 63 o 2.743000       1.585000      ?             ?      
1 1 1 1  26 64 o -2.122000      1.993000      ?             ?      
1 1 1 1  26 65 o -1.491000      1.534000      ?             ?      
1 1 1 1  26 66 o 0.9890000      1.325000      ?             ?      
1 1 1 1  26 68 o 0.3645000      1.804000      ?             ?      
1 1 1 1  26 69 o 3.617000       1.592000      ?             ?      
1 1 1 1  26 70 o 2.358000       1.427000      ?             ?      
1 1 1 1  26 71 o 1.121000       2.001000      ?             ?      
1 1 1 1  27 0  o 7.065000       0.9507000     292.8278      90.0   
1 1 1 1  27 1  o 69.67000       1.588000      1372.144      -4.1   
1 1 1 1  27 2  o 105.0000       2.228000      1751.305      -10.8  
1 1 1 1  27 3  o 378.7000       7.503000      2980.361      164.8  
1 1 1 1  27 4  o 4.909000       0.7016000     214.0042      -169.1 
1 1 1 1  27 5  o 68.61000       2.090000      1115.991      152.7  
1 1 1 1  27 6  o 31.47000       1.167000      1031.676      93.0   
1 1 1 1  27 7  o 21.80000       0.7312000     732.9568      -89.4  
1 1 1 1  27 8  o 9.418000       0.5135000     46.76219      -96.3  
1 1 1 1  27 9  f 14.58000       0.7259000     629.5543      87.3   
1 1 1 1  27 10 o 59.85000       1.788000      1375.868      -178.1 
1 1 1 1  27 11 f 18.00000       1.334000      309.5319      50.9   
1 1 1 1  27 12 f 106.9000       3.355000      1624.198      73.0   
1 1 1 1  27 13 o 215.6000       6.265000      2086.766      -172.2 
1 1 1 1  27 14 o 0.1857000      1.315000      328.2888      48.4   
1 1 1 1  27 15 o 237.8000       6.874000      2664.849      152.3  
1 1 1 1  27 16 o 11.49000       1.378000      598.6315      12.7   
1 1 1 1  27 17 f -2.022000      1.355000      374.8223      -111.7 
1 1 1 1  27 18 o 4.653000       1.093000      421.0714      164.6  
1 1 1 1  27 19 o 8.401000       1.167000      489.7850      -45.0  
1 1 1 1  27 20 o 37.17000       1.626000      735.5606      -120.2 
1 1 1 1  27 21 o 63.75000       1.943000      983.1081      18.5   
1 1 1 1  27 22 o -0.1058000     0.7253000     333.2781      -159.9 
1 1 1 1  27 23 o 12.72000       0.8076000     479.5734      -132.9 
1 1 1 1  27 24 o 4.083000       0.7493000     344.2866      138.5  
1 1 1 1  27 25 o 9.607000       0.7825000     482.5888      -97.6  
1 1 1 1  27 26 o 2.452000       0.8089000     393.0117      -146.7 
1 1 1 1  27 27 o 25.79000       1.098000      679.7464      167.3  
1 1 1 1  27 28 o 1.149000       0.8022000     27.38125      35.6   
1 1 1 1  27 29 o 20.22000       0.9659000     906.0341      49.7   
1 1 1 1  27 30 o 20.91000       0.9907000     662.6094      -2.3   
1 1 1 1  27 31 o 19.64000       1.101000      504.7061      -46.4  
1 1 1 1  27 32 o 73.58000       2.773000      1272.843      -16.9  
1 1 1 1  27 33 o 14.19000       1.166000      540.0272      70.2   
1 1 1 1  27 34 o 28.94000       1.151000      552.3291      166.4  
1 1 1 1  27 35 o 68.28000       1.774000      1078.092      -133.3 
1 1 1 1  27 36 o 6.446000       0.9509000     351.9123      -27.3  
1 1 1 1  27 37 o 5.441000       0.9510000     248.4982      -164.8 
1 1 1 1  27 38 o 25.89000       1.273000      714.1885      -3.1   
1 1 1 1  27 39 o 6.329000       1.158000      395.4140      -32.4  
1 1 1 1  27 40 o 16.89000       1.172000      618.8535      -144.5 
1 1 1 1  27 41 o 71.10000       1.914000      1434.982      -144.9 
1 1 1 1  27 42 o 3.136000       1.035000      293.1923      -90.2  
1 1 1 1  27 43 o 8.110000       1.093000      359.5212      -159.2 
1 1 1 1  27 44 o 6.213000       1.127000      314.6103      -162.0 
1 1 1 1  27 45 o 24.00000       1.335000      668.5749      34.9   
1 1 1 1  27 46 o 0.4658000      1.178000      84.13509      -81.7  
1 1 1 1  27 47 o 4.969000       1.233000      356.5273      -67.2  
1 1 1 1  27 48 o 2.468000       1.495000      203.8496      -97.1  
1 1 1 1  27 49 o 13.14000       2.158000      496.6130      171.9  
1 1 1 1  27 50 o 53.28000       2.235000      1166.519      -166.9 
1 1 1 1  27 51 o 31.77000       1.608000      777.7706      172.6  
1 1 1 1  27 52 o 14.56000       1.444000      598.3449      -162.2 
1 1 1 1  27 53 o 7.527000       1.521000      339.4077      51.0   
1 1 1 1  27 54 o -0.4984000     1.714000      ?             ?      
1 1 1 1  27 55 o 0.6198000E-01  1.487000      ?             ?      
1 1 1 1  27 57 o 25.83000       1.601000      ?             ?      
1 1 1 1  27 58 o 0.5023000      1.540000      ?             ?      
1 1 1 1  27 59 o 2.262000       1.441000      ?             ?      
1 1 1 1  27 60 o 2.783000       1.594000      ?             ?      
1 1 1 1  27 62 o 2.456000       1.320000      ?             ?      
1 1 1 1  27 63 o 7.086000       1.345000      ?             ?      
1 1 1 1  27 64 o 3.023000       1.572000      ?             ?      
1 1 1 1  27 65 o 1.062000       1.815000      ?             ?      
1 1 1 1  27 67 o 0.1240000      1.536000      ?             ?      
1 1 1 1  27 68 o 1.089000       1.551000      ?             ?      
1 1 1 1  27 70 o 0.7645000      1.415000      ?             ?      
1 1 1 1  28 0  o 72.63000       2.341000      1311.046      90.0   
1 1 1 1  28 1  o 48.03000       1.239000      864.7363      -141.2 
1 1 1 1  28 2  o 53.28000       1.335000      1203.404      147.3  
1 1 1 1  28 3  o 71.95000       1.780000      791.8177      -58.0  
1 1 1 1  28 4  o 51.23000       1.611000      923.0586      -150.2 
1 1 1 1  28 5  o 295.5000       6.816000      1956.328      109.8  
1 1 1 1  28 6  o 65.35000       1.524000      1204.049      -116.3 
1 1 1 1  28 7  o 51.47000       1.252000      1137.747      120.6  
1 1 1 1  28 8  o 22.27000       0.7229000     729.3553      23.8   
1 1 1 1  28 9  o 22.78000       0.6647000     777.8674      -47.8  
1 1 1 1  28 10 o 26.01000       1.167000      815.3760      -19.0  
1 1 1 1  28 11 o 2.084000       1.223000      452.3154      98.0   
1 1 1 1  28 12 o 66.93000       2.378000      1386.551      -144.1 
1 1 1 1  28 13 o 67.65000       2.420000      939.0072      106.2  
1 1 1 1  28 14 o 10.27000       1.352000      345.3201      -20.4  
1 1 1 1  28 15 o 18.08000       1.481000      846.3360      139.5  
1 1 1 1  28 16 o 91.86000       3.057000      1443.872      -99.8  
1 1 1 1  28 17 o 241.3000       7.006000      2122.967      -74.4  
1 1 1 1  28 18 o 73.71000       2.632000      1213.351      -52.3  
1 1 1 1  28 19 o 5.561000       1.017000      398.7669      -115.5 
1 1 1 1  28 20 o 17.80000       1.285000      997.9993      1.5    
1 1 1 1  28 21 o 150.0000       4.007000      1874.500      -79.0  
1 1 1 1  28 22 o 38.57000       1.316000      488.5260      -62.7  
1 1 1 1  28 23 o 85.75000       2.182000      1541.191      -30.6  
1 1 1 1  28 24 o 72.40000       1.718000      1105.706      54.1   
1 1 1 1  28 25 o 8.964000       0.7683000     140.2519      114.7  
1 1 1 1  28 26 o 27.02000       1.054000      913.6349      -67.7  
1 1 1 1  28 27 o 5.303000       0.7851000     201.4519      132.0  
1 1 1 1  28 28 o 6.358000       0.7917000     294.4403      98.1   
1 1 1 1  28 29 o 59.69000       1.717000      1306.650      71.4   
1 1 1 1  28 30 o 28.10000       1.141000      818.0513      49.9   
1 1 1 1  28 31 o 56.60000       1.536000      1288.785      117.8  
1 1 1 1  28 32 o 10.69000       1.104000      486.0912      -148.2 
1 1 1 1  28 33 o 16.85000       1.471000      618.0518      -44.9  
1 1 1 1  28 34 o 40.92000       1.464000      932.9191      112.0  
1 1 1 1  28 35 o 68.64000       1.791000      1161.330      92.1   
1 1 1 1  28 36 o 81.03000       2.017000      1229.679      -68.9  
1 1 1 1  28 37 o 4.902000       0.9870000     301.9563      115.9  
1 1 1 1  28 38 o 4.955000       1.179000      312.2084      -152.5 
1 1 1 1  28 39 o 2.889000       1.073000      302.8940      -98.0  
1 1 1 1  28 40 o 43.26000       1.465000      948.4123      58.1   
1 1 1 1  28 41 o 7.216000       1.044000      465.8412      115.0  
1 1 1 1  28 42 o 15.36000       1.139000      575.1896      -161.7 
1 1 1 1  28 43 o 7.789000       1.105000      357.0479      -21.6  
1 1 1 1  28 44 o 3.981000       1.125000      250.5694      111.1  
1 1 1 1  28 45 o 7.602000       1.192000      326.7957      75.7   
1 1 1 1  28 46 o 6.304000       1.223000      331.3723      79.0   
1 1 1 1  28 47 o 52.21000       1.783000      1054.138      85.8   
1 1 1 1  28 48 o 45.08000       1.720000      1018.745      -106.7 
1 1 1 1  28 49 o -0.3992000     1.583000      87.74100      152.2  
1 1 1 1  28 50 o 3.888000       1.889000      300.9675      -106.7 
1 1 1 1  28 51 o 40.19000       1.751000      1054.713      -109.2 
1 1 1 1  28 52 o -0.4889000     1.348000      245.5778      50.0   
1 1 1 1  28 53 o 2.027000       1.522000      116.6182      132.3  
1 1 1 1  28 54 o 19.08000       1.656000      ?             ?      
1 1 1 1  28 55 o 1.770000       1.330000      ?             ?      
1 1 1 1  28 57 o 13.51000       1.541000      ?             ?      
1 1 1 1  28 58 o 15.32000       1.667000      ?             ?      
1 1 1 1  28 59 o 5.306000       1.297000      ?             ?      
1 1 1 1  28 60 o 4.010000       1.316000      ?             ?      
1 1 1 1  28 61 o 2.767000       1.316000      ?             ?      
1 1 1 1  28 62 o 1.460000       1.305000      ?             ?      
1 1 1 1  28 63 o 12.94000       1.399000      ?             ?      
1 1 1 1  28 64 o 0.7558000      1.441000      ?             ?      
1 1 1 1  28 66 o 7.152000       1.932000      ?             ?      
1 1 1 1  28 67 o 5.881000       1.824000      ?             ?      
1 1 1 1  28 68 o -1.135000      1.540000      ?             ?      
1 1 1 1  29 0  o 21.07000       1.257000      939.3979      -90.0  
1 1 1 1  29 1  f 28.64000       0.9848000     765.4639      -84.6  
1 1 1 1  29 2  o 5.432000       0.7684000     113.3724      -162.9 
1 1 1 1  29 3  o 77.66000       2.036000      923.6857      -37.4  
1 1 1 1  29 4  o 134.6000       3.910000      1570.867      -23.4  
1 1 1 1  29 5  o 6.692000       0.7673000     485.1434      103.8  
1 1 1 1  29 6  o 183.9000       3.746000      1832.152      169.2  
1 1 1 1  29 7  o 18.40000       0.8857000     667.4304      -47.6  
1 1 1 1  29 8  o 207.4000       4.195000      2279.411      156.3  
1 1 1 1  29 9  o 14.89000       0.6774000     390.9034      -174.5 
1 1 1 1  29 10 o 45.61000       1.644000      969.1672      76.3   
1 1 1 1  29 11 o 30.32000       1.614000      781.2449      172.5  
1 1 1 1  29 12 o 11.14000       1.390000      475.5574      -12.6  
1 1 1 1  29 13 o 72.35000       2.564000      928.9388      -50.8  
1 1 1 1  29 14 o 26.62000       1.613000      762.2081      19.8   
1 1 1 1  29 15 o 63.52000       2.388000      973.4125      -166.6 
1 1 1 1  29 16 o 42.11000       1.927000      581.3920      -69.7  
1 1 1 1  29 17 o 58.16000       2.277000      726.6266      145.1  
1 1 1 1  29 18 o 27.77000       1.644000      708.9499      -55.1  
1 1 1 1  29 19 o 40.73000       1.896000      1219.664      -178.8 
1 1 1 1  29 20 o 88.27000       5.974000      1453.029      -2.2   
1 1 1 1  29 21 o 47.21000       2.956000      1079.868      83.3   
1 1 1 1  29 22 o 91.48000       2.623000      1392.212      158.8  
1 1 1 1  29 23 o 80.85000       1.862000      1171.431      -129.4 
1 1 1 1  29 24 o 17.59000       0.7753000     670.7491      4.4    
1 1 1 1  29 25 o 2.272000       0.6586000     153.5607      -130.0 
1 1 1 1  29 26 o 11.93000       0.7611000     520.0768      27.1   
1 1 1 1  29 27 o 47.41000       1.297000      628.2662      81.2   
1 1 1 1  29 28 o 3.883000       0.7714000     104.6962      -141.8 
1 1 1 1  29 29 o 20.93000       1.011000      478.1648      55.1   
1 1 1 1  29 30 o 10.31000       0.8773000     538.3603      -112.3 
1 1 1 1  29 31 o 3.453000       0.8148000     400.0981      -78.3  
1 1 1 1  29 32 o 8.669000       1.080000      348.8729      80.5   
1 1 1 1  29 33 o 39.98000       2.420000      844.1684      175.3  
1 1 1 1  29 34 o -0.6842000     1.673000      393.7328      -173.4 
1 1 1 1  29 35 o 24.02000       1.094000      592.3406      -134.2 
1 1 1 1  29 36 o 75.64000       1.926000      1238.296      13.2   
1 1 1 1  29 37 o 1.388000       1.009000      218.6974      90.7   
1 1 1 1  29 38 o 8.199000       1.145000      347.3321      136.4  
1 1 1 1  29 39 o 52.26000       1.691000      1165.421      179.0  
1 1 1 1  29 40 o 29.69000       1.259000      802.5902      -144.6 
1 1 1 1  29 41 o 54.76000       1.642000      1140.386      -93.4  
1 1 1 1  29 42 o 2.985000       1.055000      117.0578      158.9  
1 1 1 1  29 43 o 2.439000       1.086000      172.0470      -174.3 
1 1 1 1  29 44 o 4.332000       1.140000      397.9231      179.8  
1 1 1 1  29 45 o 9.530000       1.205000      528.0974      -172.0 
1 1 1 1  29 46 o 4.987000       1.220000      431.5926      -56.2  
1 1 1 1  29 47 o 15.63000       1.335000      478.3394      -114.8 
1 1 1 1  29 48 o 14.77000       1.368000      501.8359      169.4  
1 1 1 1  29 49 o 30.57000       1.725000      880.8293      -2.5   
1 1 1 1  29 50 o 1.162000       2.087000      190.9491      -140.5 
1 1 1 1  29 51 o 11.01000       1.666000      451.4987      -121.7 
1 1 1 1  29 52 o 4.232000       1.510000      365.9910      -100.6 
1 1 1 1  29 53 o 34.09000       2.715000      ?             ?      
1 1 1 1  29 54 o 11.79000       2.031000      ?             ?      
1 1 1 1  29 55 o 9.453000       1.504000      ?             ?      
1 1 1 1  29 56 o 0.6419000      1.516000      ?             ?      
1 1 1 1  29 57 o 3.090000       1.283000      ?             ?      
1 1 1 1  29 58 o 8.607000       1.314000      ?             ?      
1 1 1 1  29 59 o -0.1820000     1.251000      ?             ?      
1 1 1 1  29 60 o 3.309000       1.278000      ?             ?      
1 1 1 1  29 61 o 7.882000       1.313000      ?             ?      
1 1 1 1  29 62 o 1.190000       1.285000      ?             ?      
1 1 1 1  29 63 f 0.5581000      1.294000      ?             ?      
1 1 1 1  29 64 o 0.6905000      1.307000      ?             ?      
1 1 1 1  29 65 o -1.710000      1.592000      ?             ?      
1 1 1 1  29 67 o 1.653000       1.552000      ?             ?      
1 1 1 1  29 69 o 0.2047000      1.403000      ?             ?      
1 1 1 1  30 0  o 36.61000       1.601000      843.6608      -90.0  
1 1 1 1  30 1  o 27.03000       1.016000      806.4391      -49.1  
1 1 1 1  30 2  o 62.34000       1.657000      1450.908      101.3  
1 1 1 1  30 3  o 223.8000       5.832000      2500.951      90.9   
1 1 1 1  30 4  o 56.67000       1.623000      1299.627      96.1   
1 1 1 1  30 5  o 35.94000       1.073000      643.9766      -107.0 
1 1 1 1  30 6  o 56.33000       1.391000      1284.013      -103.0 
1 1 1 1  30 7  o 58.93000       1.414000      1149.405      138.5  
1 1 1 1  30 8  o 27.74000       0.8569000     670.0124      -52.0  
1 1 1 1  30 9  o 9.065000       0.5328000     506.2774      -43.4  
1 1 1 1  30 10 o 34.34000       1.474000      765.2775      -86.8  
1 1 1 1  30 11 o 158.5000       4.748000      1859.356      117.0  
1 1 1 1  30 12 o 119.4000       3.745000      1712.455      28.4   
1 1 1 1  30 13 o 70.05000       2.512000      1731.380      85.3   
1 1 1 1  30 14 o 2.698000       1.334000      311.1453      -88.3  
1 1 1 1  30 15 o 29.61000       1.682000      590.9257      -92.4  
1 1 1 1  30 16 o 91.87000       3.053000      1377.369      -93.7  
1 1 1 1  30 17 f 10.57000       1.418000      734.6350      16.5   
1 1 1 1  30 18 o 22.54000       1.567000      443.5511      -58.6  
1 1 1 1  30 19 o 90.59000       3.088000      1514.882      -83.7  
1 1 1 1  30 20 o 42.51000       2.775000      1045.761      -91.2  
1 1 1 1  30 21 o 4.019000       3.271000      612.2443      -118.2 
1 1 1 1  30 22 o 50.83000       2.244000      957.6099      -38.8  
1 1 1 1  30 23 o 19.21000       0.8761000     869.1138      -44.1  
1 1 1 1  30 24 o 1.091000       0.5868000     213.1377      59.1   
1 1 1 1  30 25 o 6.674000       0.6464000     365.2831      154.3  
1 1 1 1  30 26 o 18.16000       0.8037000     549.0323      -117.6 
1 1 1 1  30 27 o 15.22000       0.7992000     623.5285      105.2  
1 1 1 1  30 28 o 110.6000       2.438000      1574.394      72.8   
1 1 1 1  30 29 o 17.18000       0.8716000     554.3131      59.3   
1 1 1 1  30 30 o 75.88000       1.824000      1304.944      114.6  
1 1 1 1  30 31 o 17.28000       0.9590000     565.8250      -178.7 
1 1 1 1  30 32 o 50.43000       1.595000      1086.694      -82.8  
1 1 1 1  30 33 o 7.013000       1.240000      459.6149      -90.0  
1 1 1 1  30 34 o 42.33000       2.216000      931.2148      91.1   
1 1 1 1  30 35 o 7.028000       1.288000      347.2821      159.9  
1 1 1 1  30 36 o 73.42000       2.092000      1285.843      -66.7  
1 1 1 1  30 37 o 39.84000       1.682000      864.2935      118.6  
1 1 1 1  30 38 o 2.845000       1.061000      247.1292      51.1   
1 1 1 1  30 39 o 66.18000       1.808000      1209.931      80.4   
1 1 1 1  30 40 o 1.090000       0.9865000     139.7139      114.3  
1 1 1 1  30 41 o 5.487000       1.033000      450.9217      71.5   
1 1 1 1  30 42 o 3.254000       1.049000      124.6918      -47.1  
1 1 1 1  30 43 o 14.91000       1.189000      525.0054      -64.2  
1 1 1 1  30 44 o 5.373000       1.158000      281.8129      -141.8 
1 1 1 1  30 45 o 12.33000       1.245000      467.7325      23.4   
1 1 1 1  30 46 o 9.227000       1.248000      475.3256      5.7    
1 1 1 1  30 47 o 30.03000       1.489000      946.2773      86.3   
1 1 1 1  30 48 o 7.443000       1.299000      309.9987      -128.1 
1 1 1 1  30 49 o 29.41000       1.545000      825.9738      78.7   
1 1 1 1  30 50 o 7.814000       1.646000      318.4029      -106.9 
1 1 1 1  30 51 o 7.834000       1.950000      594.6279      -130.0 
1 1 1 1  30 52 o 3.427000       1.903000      ?             ?      
1 1 1 1  30 53 o 4.637000       1.927000      ?             ?      
1 1 1 1  30 54 o 7.221000       1.612000      ?             ?      
1 1 1 1  30 55 o 5.319000       1.304000      ?             ?      
1 1 1 1  30 56 o 1.251000       1.248000      ?             ?      
1 1 1 1  30 57 o 1.837000       1.246000      ?             ?      
1 1 1 1  30 58 o -1.511000      1.245000      ?             ?      
1 1 1 1  30 59 o 3.436000       1.252000      ?             ?      
1 1 1 1  30 60 o 2.269000       1.258000      ?             ?      
1 1 1 1  30 61 o 1.223000       1.262000      ?             ?      
1 1 1 1  30 62 o 3.530000       1.286000      ?             ?      
1 1 1 1  30 63 o 1.174000       1.290000      ?             ?      
1 1 1 1  30 64 o 2.211000       1.308000      ?             ?      
1 1 1 1  30 65 o -2.855000      1.637000      ?             ?      
1 1 1 1  30 67 o 5.276000       1.961000      ?             ?      
1 1 1 1  30 68 o 3.235000       1.380000      ?             ?      
1 1 1 1  30 69 o 0.7447000      1.387000      ?             ?      
1 1 1 1  31 0  o 123.2000       3.736000      1543.736      90.0   
1 1 1 1  31 1  o 28.25000       1.055000      652.7026      -111.2 
1 1 1 1  31 2  o 24.94000       1.148000      668.7797      70.7   
1 1 1 1  31 3  o 49.48000       1.822000      1154.815      -71.1  
1 1 1 1  31 4  o 89.71000       2.292000      1467.087      -146.2 
1 1 1 1  31 5  o 179.7000       3.693000      1971.262      -12.8  
1 1 1 1  31 6  o 7.952000       0.7211000     448.1162      113.3  
1 1 1 1  31 7  o 17.58000       0.7647000     929.8588      -135.3 
1 1 1 1  31 8  o 36.51000       1.146000      1031.618      171.8  
1 1 1 1  31 9  o 139.8000       2.896000      1508.908      55.1   
1 1 1 1  31 10 o 79.95000       2.088000      1307.758      154.0  
1 1 1 1  31 11 o 25.05000       1.251000      906.3316      175.6  
1 1 1 1  31 12 o 4.630000       1.311000      320.8711      55.8   
1 1 1 1  31 13 o 44.24000       1.919000      844.7266      -174.1 
1 1 1 1  31 14 o 147.1000       4.462000      1616.527      -138.2 
1 1 1 1  31 15 o 10.18000       1.381000      353.1357      -65.2  
1 1 1 1  31 16 o 35.31000       1.761000      746.0714      111.0  
1 1 1 1  31 17 o 9.802000       1.388000      545.4752      -71.8  
1 1 1 1  31 18 o 21.72000       1.576000      794.7699      -23.2  
1 1 1 1  31 19 o 19.51000       1.964000      964.1196      -111.0 
1 1 1 1  31 21 o 19.49000       2.351000      823.5916      100.7  
1 1 1 1  31 22 o 6.628000       1.431000      412.2743      78.5   
1 1 1 1  31 23 o 21.46000       1.315000      753.5123      -155.7 
1 1 1 1  31 24 o 40.28000       1.339000      863.4379      -6.1   
1 1 1 1  31 25 o 7.925000       0.6414000     441.9753      -134.7 
1 1 1 1  31 26 o 10.32000       0.6905000     537.7399      144.2  
1 1 1 1  31 27 o 47.29000       1.271000      1038.483      156.7  
1 1 1 1  31 28 o 8.496000       0.7474000     339.0111      -128.4 
1 1 1 1  31 29 o 31.08000       1.056000      818.2350      67.7   
1 1 1 1  31 30 o 0.6796000      0.7626000     146.4871      132.6  
1 1 1 1  31 31 o 42.43000       1.269000      872.5479      -37.1  
1 1 1 1  31 32 o 19.09000       0.9494000     592.5000      5.4    
1 1 1 1  31 33 o 50.15000       1.438000      1032.448      -178.2 
1 1 1 1  31 34 o 3.616000       1.182000      477.6721      -35.6  
1 1 1 1  31 35 o 90.08000       4.009000      1532.561      -178.9 
1 1 1 1  31 36 o 23.58000       1.708000      665.4868      30.9   
1 1 1 1  31 37 o 25.93000       1.299000      794.3721      32.7   
1 1 1 1  31 38 o 23.25000       1.328000      572.6301      164.5  
1 1 1 1  31 39 o 35.44000       1.458000      924.3920      178.4  
1 1 1 1  31 40 o 60.15000       1.839000      1208.563      -168.2 
1 1 1 1  31 41 o 11.24000       1.091000      507.6826      -127.6 
1 1 1 1  31 42 f 24.34000       1.264000      490.1837      32.0   
1 1 1 1  31 43 o 30.21000       1.372000      641.7734      -165.7 
1 1 1 1  31 44 o 17.87000       1.274000      458.4037      73.5   
1 1 1 1  31 45 o 15.98000       1.286000      760.3710      10.1   
1 1 1 1  31 46 o 9.303000       1.250000      456.2680      108.6  
1 1 1 1  31 47 o 3.410000       1.242000      255.6843      -149.0 
1 1 1 1  31 48 o 10.74000       1.318000      495.0878      108.9  
1 1 1 1  31 50 o 13.67000       1.914000      519.8614      -78.2  
1 1 1 1  31 51 o 4.945000       2.483000      288.3436      -96.2  
1 1 1 1  31 53 o 18.28000       1.578000      ?             ?      
1 1 1 1  31 54 o 4.074000       1.278000      ?             ?      
1 1 1 1  31 55 o 1.794000       1.238000      ?             ?      
1 1 1 1  31 56 o -0.7889000E-01 1.218000      ?             ?      
1 1 1 1  31 57 o 0.5040000      1.222000      ?             ?      
1 1 1 1  31 58 o 12.02000       1.310000      ?             ?      
1 1 1 1  31 59 o 2.394000       1.236000      ?             ?      
1 1 1 1  31 60 o 2.116000       1.254000      ?             ?      
1 1 1 1  31 61 o -0.6658000     1.259000      ?             ?      
1 1 1 1  31 62 o 4.491000       1.278000      ?             ?      
1 1 1 1  31 63 o 0.7654000      1.278000      ?             ?      
1 1 1 1  31 65 o 5.360000       1.496000      ?             ?      
1 1 1 1  31 66 o 6.758000       1.947000      ?             ?      
1 1 1 1  31 67 o 2.998000       2.180000      ?             ?      
1 1 1 1  31 68 o 0.4712000      1.517000      ?             ?      
1 1 1 1  32 0  o 139.5000       4.165000      1591.837      -90.0  
1 1 1 1  32 1  o 60.96000       1.566000      1212.460      74.7   
1 1 1 1  32 2  o 269.5000       6.981000      2357.789      60.8   
1 1 1 1  32 3  o 491.9000       12.50000      2576.363      102.3  
1 1 1 1  32 4  o 112.8000       2.458000      1540.746      -22.4  
1 1 1 1  32 5  o 1.337000       0.7473000     413.6938      78.9   
1 1 1 1  32 6  o 6.157000       0.7081000     388.5818      -40.1  
1 1 1 1  32 7  o 29.58000       0.9265000     614.8231      -119.8 
1 1 1 1  32 8  o 33.51000       0.9612000     1297.435      77.9   
1 1 1 1  32 9  o 19.08000       0.6677000     520.2640      108.6  
1 1 1 1  32 10 o 34.06000       1.433000      703.6277      -119.0 
1 1 1 1  32 11 o 104.1000       3.319000      1238.861      85.9   
1 1 1 1  32 12 o 126.2000       3.900000      1521.912      71.2   
1 1 1 1  32 13 o 27.16000       1.575000      877.6276      -82.1  
1 1 1 1  32 14 o 8.246000       1.323000      366.9194      -19.2  
1 1 1 1  32 15 o 1.816000       1.291000      164.9836      -169.5 
1 1 1 1  32 16 o 65.76000       2.408000      1197.632      40.8   
1 1 1 1  32 17 o 36.31000       1.790000      1019.463      -12.6  
1 1 1 1  32 18 o 34.26000       1.786000      964.1818      -32.3  
1 1 1 1  32 19 o 47.60000       2.943000      1118.500      155.0  
1 1 1 1  32 20 o 9.627000       3.296000      777.9240      28.2   
1 1 1 1  32 21 o 21.68000       1.678000      954.5058      142.3  
1 1 1 1  32 22 o 52.50000       2.214000      940.5687      -21.8  
1 1 1 1  32 23 o 27.80000       1.705000      487.8814      -50.8  
1 1 1 1  32 24 o 24.39000       1.074000      952.8924      -136.2 
1 1 1 1  32 25 o 5.768000       0.6820000     350.6309      158.6  
1 1 1 1  32 26 o 11.33000       0.7403000     377.6270      159.3  
1 1 1 1  32 27 o 12.40000       0.7265000     608.7795      110.7  
1 1 1 1  32 28 o 25.58000       0.9266000     633.9825      160.5  
1 1 1 1  32 29 o 9.531000       0.7668000     601.0661      -94.3  
1 1 1 1  32 30 o 136.9000       2.948000      ?             ?      
1 1 1 1  32 31 o 3.851000       0.7832000     300.0879      -91.3  
1 1 1 1  32 32 o 8.661000       0.8280000     136.8931      -41.6  
1 1 1 1  32 33 o 41.58000       1.288000      960.0569      -89.1  
1 1 1 1  32 34 o 1.092000       0.9726000     335.6859      -59.3  
1 1 1 1  32 35 o 18.36000       2.015000      645.5928      134.5  
1 1 1 1  32 36 o 15.01000       2.621000      591.3018      -78.6  
1 1 1 1  32 37 o 43.70000       1.582000      1025.407      88.5   
1 1 1 1  32 38 o 18.18000       1.193000      644.7056      -75.0  
1 1 1 1  32 39 o 2.201000       1.080000      345.9457      146.2  
1 1 1 1  32 40 o 5.253000       1.039000      352.8695      158.2  
1 1 1 1  32 41 o 11.49000       1.228000      375.9353      -70.3  
1 1 1 1  32 42 o 7.639000       1.257000      437.6926      176.9  
1 1 1 1  32 43 o 5.831000       1.217000      243.6652      82.5   
1 1 1 1  32 44 o 24.84000       1.350000      665.4933      -65.0  
1 1 1 1  32 45 o 7.211000       1.200000      351.0119      77.5   
1 1 1 1  32 46 o 17.88000       1.311000      718.2719      44.8   
1 1 1 1  32 47 o 12.35000       1.540000      629.8568      164.4  
1 1 1 1  32 48 o 4.576000       1.426000      273.5298      0.7    
1 1 1 1  32 49 o 13.15000       1.651000      585.5065      98.9   
1 1 1 1  32 50 o 6.091000       1.461000      455.3686      -103.7 
1 1 1 1  32 51 o 3.770000       1.811000      ?             ?      
1 1 1 1  32 52 o 5.959000       2.997000      ?             ?      
1 1 1 1  32 53 o 1.468000       1.518000      ?             ?      
1 1 1 1  32 54 o -0.4455000     1.214000      ?             ?      
1 1 1 1  32 55 o 1.302000       1.202000      ?             ?      
1 1 1 1  32 57 o 6.969000       1.252000      ?             ?      
1 1 1 1  32 58 o 5.155000       1.251000      ?             ?      
1 1 1 1  32 59 o 7.442000       1.277000      ?             ?      
1 1 1 1  32 60 o 10.69000       1.312000      ?             ?      
1 1 1 1  32 61 o 8.801000       1.306000      ?             ?      
1 1 1 1  32 62 o 4.808000       1.288000      ?             ?      
1 1 1 1  32 63 o 3.332000       1.305000      ?             ?      
1 1 1 1  32 64 o -1.498000      1.412000      ?             ?      
1 1 1 1  32 65 o 0.7549000E-01  2.324000      ?             ?      
1 1 1 1  32 66 o 2.341000       1.506000      ?             ?      
1 1 1 1  32 67 o 2.800000       1.912000      ?             ?      
1 1 1 1  32 68 o 1.633000       1.968000      ?             ?      
1 1 1 1  33 0  o 112.2000       3.457000      1306.234      90.0   
1 1 1 1  33 1  o 337.5000       7.319000      2115.457      -171.3 
1 1 1 1  33 2  o 45.87000       1.749000      974.1795      162.3  
1 1 1 1  33 3  o 34.17000       1.255000      709.7014      7.0    
1 1 1 1  33 4  o 28.84000       1.005000      684.2076      176.1  
1 1 1 1  33 5  o 142.1000       2.968000      1812.048      32.4   
1 1 1 1  33 6  o 79.98000       1.808000      1546.090      178.5  
1 1 1 1  33 7  o 89.21000       1.963000      1311.275      152.6  
1 1 1 1  33 8  o 0.4424000      0.5809000     200.3614      -34.0  
1 1 1 1  33 9  o 234.0000       4.709000      2153.724      152.7  
1 1 1 1  33 10 o 14.76000       0.5597000     563.6196      73.0   
1 1 1 1  33 11 o 1.720000       1.247000      160.0254      -132.2 
1 1 1 1  33 12 o -1.196000      1.249000      304.9017      123.2  
1 1 1 1  33 13 o 35.04000       1.712000      1014.404      -158.2 
1 1 1 1  33 14 o 11.13000       1.341000      651.7955      -174.3 
1 1 1 1  33 15 o 15.26000       1.372000      653.1276      158.4  
1 1 1 1  33 16 o 10.57000       1.326000      709.7321      123.6  
1 1 1 1  33 17 o 8.388000       1.316000      347.3170      38.6   
1 1 1 1  33 18 o 4.127000       1.574000      359.4233      -6.6   
1 1 1 1  33 20 o 35.58000       2.672000      719.5579      -25.2  
1 1 1 1  33 21 o 85.49000       2.973000      1517.402      92.2   
1 1 1 1  33 22 o 21.70000       1.597000      616.2230      -114.0 
1 1 1 1  33 23 o 44.21000       2.017000      900.2629      -113.6 
1 1 1 1  33 24 o 23.23000       1.625000      645.1201      -55.6  
1 1 1 1  33 25 o 40.72000       1.379000      998.2715      -1.7   
1 1 1 1  33 26 o 2.073000       0.6764000     124.1076      127.9  
1 1 1 1  33 27 o 16.36000       0.7545000     565.9087      -99.5  
1 1 1 1  33 28 o 9.188000       0.6962000     468.1595      -16.3  
1 1 1 1  33 29 o 2.144000       0.6763000     231.6248      -157.0 
1 1 1 1  33 30 o 9.232000       0.7628000     459.2525      -48.3  
1 1 1 1  33 31 o 12.80000       0.8258000     543.6703      -59.9  
1 1 1 1  33 32 o 23.40000       0.9816000     844.0452      27.2   
1 1 1 1  33 33 o 6.035000       0.8402000     214.4262      -150.3 
1 1 1 1  33 34 o 21.69000       1.031000      636.9423      -106.0 
1 1 1 1  33 35 o 8.853000       1.163000      347.1305      -158.6 
1 1 1 1  33 36 o 25.06000       2.905000      952.3752      -3.5   
1 1 1 1  33 37 o 7.929000       1.236000      224.3126      42.7   
1 1 1 1  33 38 o 27.34000       1.179000      904.6093      -163.8 
1 1 1 1  33 39 o 6.828000       0.9971000     417.9705      -176.1 
1 1 1 1  33 40 o 6.847000       1.062000      380.0760      -132.3 
1 1 1 1  33 41 o 12.58000       1.276000      433.8241      -78.8  
1 1 1 1  33 42 o 82.39000       2.460000      ?             ?      
1 1 1 1  33 43 o 24.25000       1.331000      788.1862      -170.9 
1 1 1 1  33 44 o 5.411000       1.246000      306.9969      67.4   
1 1 1 1  33 45 o 17.04000       1.752000      753.2878      31.2   
1 1 1 1  33 46 o -0.6816000     1.498000      215.9260      -48.3  
1 1 1 1  33 47 o 2.507000       1.501000      202.4392      -159.5 
1 1 1 1  33 48 o 12.20000       1.483000      422.4124      17.3   
1 1 1 1  33 49 o 15.64000       1.361000      696.8882      -28.3  
1 1 1 1  33 50 o 13.63000       1.474000      ?             ?      
1 1 1 1  33 51 o 22.15000       1.722000      ?             ?      
1 1 1 1  33 52 o 8.357000       1.898000      ?             ?      
1 1 1 1  33 53 o 16.63000       1.961000      ?             ?      
1 1 1 1  33 54 o 11.05000       1.274000      ?             ?      
1 1 1 1  33 55 o 2.482000       1.198000      ?             ?      
1 1 1 1  33 56 o 2.182000       1.226000      ?             ?      
1 1 1 1  33 57 o 3.101000       1.211000      ?             ?      
1 1 1 1  33 58 o 0.4580000      1.209000      ?             ?      
1 1 1 1  33 59 o 14.05000       1.340000      ?             ?      
1 1 1 1  33 60 o 4.223000       1.264000      ?             ?      
1 1 1 1  33 61 o 1.593000       1.248000      ?             ?      
1 1 1 1  33 62 o 0.5526000      1.256000      ?             ?      
1 1 1 1  33 63 o 2.479000       1.297000      ?             ?      
1 1 1 1  33 64 o 0.6324000      1.422000      ?             ?      
1 1 1 1  33 65 o -0.9511000     1.447000      ?             ?      
1 1 1 1  33 66 o 2.300000       1.315000      ?             ?      
1 1 1 1  33 67 o -1.961000      1.596000      ?             ?      
1 1 1 1  34 0  o 6.310000       1.167000      932.2318      -90.0  
1 1 1 1  34 1  o 61.87000       1.960000      934.6644      -52.1  
1 1 1 1  34 2  o 72.19000       2.167000      959.8907      -88.5  
1 1 1 1  34 3  o 20.91000       0.9128000     723.9713      145.5  
1 1 1 1  34 4  o 81.32000       1.847000      1286.122      88.7   
1 1 1 1  34 5  o 3.899000       0.7267000     354.2159      -104.7 
1 1 1 1  34 6  o 22.12000       0.8620000     644.2929      118.8  
1 1 1 1  34 7  o 111.2000       2.379000      1642.237      -108.5 
1 1 1 1  34 8  o 23.24000       0.8052000     650.7422      -149.8 
1 1 1 1  34 9  o 0.6827000      0.4979000     303.5489      131.4  
1 1 1 1  34 10 o 38.66000       1.080000      990.9792      102.5  
1 1 1 1  34 11 o 39.60000       1.758000      586.6322      78.0   
1 1 1 1  34 12 o 24.58000       1.498000      637.9536      -15.5  
1 1 1 1  34 13 o 112.6000       3.554000      1553.958      -88.9  
1 1 1 1  34 14 o 10.40000       1.309000      582.2513      92.7   
1 1 1 1  34 15 o 4.270000       1.246000      34.39714      118.3  
1 1 1 1  34 16 o 32.26000       1.656000      614.9258      73.3   
1 1 1 1  34 17 o 52.20000       2.102000      1202.193      103.5  
1 1 1 1  34 18 o 9.950000       1.862000      351.1067      -170.5 
1 1 1 1  34 19 o 2.941000       2.940000      209.9371      -127.4 
1 1 1 1  34 20 o 4.969000       1.394000      632.3378      57.7   
1 1 1 1  34 21 o 20.66000       1.543000      534.0240      128.1  
1 1 1 1  34 22 o 15.01000       1.460000      407.9926      3.0    
1 1 1 1  34 23 o 2.041000       1.344000      235.0907      3.3    
1 1 1 1  34 24 o 33.13000       1.789000      942.8542      123.1  
1 1 1 1  34 25 o 7.522000       1.409000      444.2987      29.7   
1 1 1 1  34 26 o 16.61000       1.243000      636.0847      73.6   
1 1 1 1  34 27 o 1.640000       0.6663000     226.7574      107.6  
1 1 1 1  34 28 o 2.220000       0.6288000     191.3270      133.4  
1 1 1 1  34 29 o 5.291000       0.6802000     298.1289      49.5   
1 1 1 1  34 30 o 20.05000       0.8713000     770.6301      88.6   
1 1 1 1  34 31 o 5.831000       0.7451000     451.0398      83.1   
1 1 1 1  34 32 o 10.38000       0.8047000     590.3005      -59.8  
1 1 1 1  34 33 o 30.32000       1.095000      788.9505      -23.6  
1 1 1 1  34 34 o 11.61000       0.9789000     621.8871      84.4   
1 1 1 1  34 35 o 9.733000       1.112000      535.0302      -48.4  
1 1 1 1  34 36 o 9.209000       1.307000      711.0370      -77.4  
1 1 1 1  34 37 o 8.375000       1.684000      295.9627      -17.0  
1 1 1 1  34 38 o -0.5219000     1.069000      139.1971      -97.0  
1 1 1 1  34 39 o 32.49000       1.288000      850.8395      59.1   
1 1 1 1  34 41 o 25.28000       1.277000      633.3228      64.4   
1 1 1 1  34 42 o -2.249000      1.106000      223.0705      -42.2  
1 1 1 1  34 43 o -0.3329000     1.367000      181.1057      -40.7  
1 1 1 1  34 44 o 6.212000       1.330000      462.8798      12.4   
1 1 1 1  34 45 o 21.79000       1.943000      756.2457      44.0   
1 1 1 1  34 46 o 9.812000       1.274000      478.9830      24.0   
1 1 1 1  34 47 o 12.59000       1.368000      653.4061      123.5  
1 1 1 1  34 48 o 8.178000       1.400000      356.8385      -1.2   
1 1 1 1  34 49 o 1.279000       1.367000      ?             ?      
1 1 1 1  34 50 o 5.318000       1.414000      ?             ?      
1 1 1 1  34 51 o 0.6593000      1.367000      ?             ?      
1 1 1 1  34 52 o 2.788000       1.346000      ?             ?      
1 1 1 1  34 53 o 9.162000       2.093000      ?             ?      
1 1 1 1  34 54 o 0.7402000      1.456000      ?             ?      
1 1 1 1  34 55 o 2.583000       1.207000      ?             ?      
1 1 1 1  34 56 o 18.56000       1.347000      ?             ?      
1 1 1 1  34 57 o 1.946000       1.204000      ?             ?      
1 1 1 1  34 58 o 2.800000       1.217000      ?             ?      
1 1 1 1  34 59 o 1.026000       1.222000      ?             ?      
1 1 1 1  34 60 o 8.426000       1.281000      ?             ?      
1 1 1 1  34 61 o 5.105000       1.263000      ?             ?      
1 1 1 1  34 62 o 4.082000       1.282000      ?             ?      
1 1 1 1  34 63 f 0.2013000      1.417000      ?             ?      
1 1 1 1  34 64 o 5.226000       1.664000      ?             ?      
1 1 1 1  34 65 o 0.4041000      1.444000      ?             ?      
1 1 1 1  34 66 o 0.9791000      1.313000      ?             ?      
1 1 1 1  35 0  o 1.926000       1.283000      137.3184      90.0   
1 1 1 1  35 1  o 21.76000       1.287000      596.0682      -30.9  
1 1 1 1  35 2  o 35.18000       1.256000      767.4867      34.3   
1 1 1 1  35 3  o 27.67000       0.9738000     969.3040      172.3  
1 1 1 1  35 4  o 3.006000       0.7400000     458.0873      124.5  
1 1 1 1  35 5  o 42.42000       1.183000      1101.761      8.3    
1 1 1 1  35 6  o 146.3000       3.043000      1779.887      14.7   
1 1 1 1  35 7  o 6.195000       0.6775000     421.7330      1.0    
1 1 1 1  35 8  o 1.300000       0.5743000     203.0051      -71.6  
1 1 1 1  35 9  o 32.42000       0.9040000     995.1384      134.9  
1 1 1 1  35 10 o 3.091000       0.7857000     432.0096      -9.8   
1 1 1 1  35 11 o 40.92000       1.548000      952.1361      -148.5 
1 1 1 1  35 12 o 53.53000       2.080000      1203.181      -6.6   
1 1 1 1  35 13 o 36.74000       1.735000      922.6700      -173.8 
1 1 1 1  35 14 o 18.16000       1.388000      340.9276      74.4   
1 1 1 1  35 15 o 14.16000       1.348000      532.7852      -56.9  
1 1 1 1  35 16 o -2.231000      1.224000      172.5923      135.8  
1 1 1 1  35 17 o 2.485000       1.534000      126.5903      64.7   
1 1 1 1  35 19 o 54.18000       3.189000      898.0354      155.0  
1 1 1 1  35 20 o 11.07000       1.405000      306.1557      137.9  
1 1 1 1  35 21 o 4.094000       1.325000      286.3721      130.6  
1 1 1 1  35 22 o 28.22000       1.665000      672.8149      -65.5  
1 1 1 1  35 23 o 0.8260000      1.307000      236.4983      -35.3  
1 1 1 1  35 24 o 5.117000       1.336000      232.4588      50.0   
1 1 1 1  35 25 o 0.6898000      1.324000      262.9880      172.6  
1 1 1 1  35 26 o 10.80000       1.087000      447.3458      172.5  
1 1 1 1  35 27 o 12.00000       1.171000      601.4118      -97.0  
1 1 1 1  35 28 o 13.96000       0.7884000     541.6711      1.7    
1 1 1 1  35 29 o 0.2164000      0.6253000     140.1486      117.8  
1 1 1 1  35 30 o 6.379000       0.7133000     379.1599      175.5  
1 1 1 1  35 31 o 8.219000       0.7529000     401.7131      -9.1   
1 1 1 1  35 32 o 7.838000       0.7816000     373.2878      147.1  
1 1 1 1  35 33 o 3.055000       0.7775000     264.7617      -167.1 
1 1 1 1  35 34 o -0.3683000     0.8850000     196.8873      5.8    
1 1 1 1  35 35 o 3.257000       0.9560000     191.4907      -135.0 
1 1 1 1  35 36 o 9.487000       0.9514000     475.6407      91.8   
1 1 1 1  35 37 o 11.02000       1.499000      426.8922      -97.6  
1 1 1 1  35 38 o 21.60000       1.693000      704.8219      7.9    
1 1 1 1  35 39 o 8.222000       1.186000      461.6995      164.4  
1 1 1 1  35 40 o 17.78000       1.450000      467.0430      162.4  
1 1 1 1  35 41 o 3.346000       1.336000      350.5686      -26.4  
1 1 1 1  35 42 o 5.075000       1.247000      362.0271      150.2  
1 1 1 1  35 43 o 28.88000       1.671000      791.0167      155.4  
1 1 1 1  35 44 o 22.19000       1.332000      803.7965      48.6   
1 1 1 1  35 45 o 13.39000       1.269000      530.2631      106.0  
1 1 1 1  35 46 o 35.66000       1.551000      965.6965      -166.6 
1 1 1 1  35 47 o 3.950000       1.363000      299.1393      87.2   
1 1 1 1  35 48 o 4.922000       1.353000      ?             ?      
1 1 1 1  35 49 o 13.01000       1.533000      ?             ?      
1 1 1 1  35 50 o 17.07000       1.576000      ?             ?      
1 1 1 1  35 51 o 16.79000       1.559000      ?             ?      
1 1 1 1  35 52 o -1.753000      1.287000      ?             ?      
1 1 1 1  35 53 o -2.723000      1.559000      ?             ?      
1 1 1 1  35 55 o 2.088000       1.464000      ?             ?      
1 1 1 1  35 56 o -1.020000      1.173000      ?             ?      
1 1 1 1  35 57 o -1.959000      1.174000      ?             ?      
1 1 1 1  35 58 o 11.20000       1.293000      ?             ?      
1 1 1 1  35 59 o 5.004000       1.245000      ?             ?      
1 1 1 1  35 60 o -1.554000      1.219000      ?             ?      
1 1 1 1  35 61 o 9.137000       1.314000      ?             ?      
1 1 1 1  35 63 o 2.813000       1.423000      ?             ?      
1 1 1 1  35 64 o 4.143000       2.028000      ?             ?      
1 1 1 1  35 65 o 3.539000       1.319000      ?             ?      
1 1 1 1  36 0  o 1.635000       1.540000      381.0706      90.0   
1 1 1 1  36 1  o 10.97000       1.117000      617.2571      -141.3 
1 1 1 1  36 2  o 32.82000       1.136000      950.3541      123.1  
1 1 1 1  36 3  o 26.51000       0.9477000     625.1418      131.1  
1 1 1 1  36 4  o 1.334000       0.7130000     140.1261      20.3   
1 1 1 1  36 5  o 42.83000       1.178000      784.3484      75.9   
1 1 1 1  36 6  o 23.10000       0.8648000     719.9305      145.9  
1 1 1 1  36 7  o 8.491000       0.6651000     490.1924      -88.6  
1 1 1 1  36 8  o 0.8259000      0.5669000     30.56015      123.2  
1 1 1 1  36 9  o 2.716000       0.5304000     227.1096      174.0  
1 1 1 1  36 10 o 21.12000       0.6563000     733.7565      46.9   
1 1 1 1  36 11 o 7.285000       0.9739000     457.2886      42.1   
1 1 1 1  36 12 o 12.03000       1.297000      425.1937      -32.8  
1 1 1 1  36 13 o 40.61000       1.807000      1078.574      63.0   
1 1 1 1  36 14 o 5.138000       1.239000      225.6046      -34.9  
1 1 1 1  36 15 o 11.36000       1.312000      551.2709      -60.1  
1 1 1 1  36 16 o 9.366000       1.306000      578.8123      83.1   
1 1 1 1  36 17 o 15.52000       1.966000      593.8809      128.8  
1 1 1 1  36 18 o -4.809000      2.796000      206.3700      149.1  
1 1 1 1  36 19 o 1.644000       1.335000      344.9925      -161.5 
1 1 1 1  36 20 o 11.20000       1.387000      326.5485      153.1  
1 1 1 1  36 21 o 16.96000       1.467000      525.3633      113.6  
1 1 1 1  36 22 o 5.519000       1.349000      352.8989      47.5   
1 1 1 1  36 23 o 43.05000       1.979000      738.6914      -61.7  
1 1 1 1  36 24 o 0.3757000      1.310000      75.26580      159.2  
1 1 1 1  36 25 o 16.54000       1.499000      607.2720      74.5   
1 1 1 1  36 26 o 21.80000       1.594000      672.5475      41.8   
1 1 1 1  36 27 o 19.96000       1.582000      794.0962      114.1  
1 1 1 1  36 28 o 7.585000       1.142000      315.8278      -44.9  
1 1 1 1  36 29 o -0.1805000     0.6405000     153.0143      73.3   
1 1 1 1  36 30 o 13.48000       0.8058000     648.4221      75.7   
1 1 1 1  36 31 o 12.26000       0.8271000     620.2641      -94.7  
1 1 1 1  36 32 o 3.951000       0.7445000     159.3685      154.7  
1 1 1 1  36 33 o -0.3267000E-01 0.8355000     86.67242      -8.2   
1 1 1 1  36 34 o 3.378000       0.9822000     166.0011      -74.8  
1 1 1 1  36 35 o 27.68000       1.387000      694.1107      -38.5  
1 1 1 1  36 36 o 13.51000       1.007000      498.0051      -108.0 
1 1 1 1  36 37 o 25.81000       1.188000      678.7032      102.1  
1 1 1 1  36 38 o 13.08000       1.812000      414.1877      11.4   
1 1 1 1  36 39 o 11.10000       1.643000      449.1449      -136.3 
1 1 1 1  36 40 o 66.52000       2.626000      ?             ?      
1 1 1 1  36 41 o -1.098000      1.326000      104.7112      -140.6 
1 1 1 1  36 42 o 6.144000       1.156000      456.3160      -150.4 
1 1 1 1  36 43 o 5.987000       1.177000      356.5963      90.6   
1 1 1 1  36 44 o 4.195000       1.174000      352.0771      -24.6  
1 1 1 1  36 45 o 2.294000       1.172000      188.1361      47.9   
1 1 1 1  36 46 o 3.195000       1.193000      183.1877      121.6  
1 1 1 1  36 47 o 5.004000       1.198000      ?             ?      
1 1 1 1  36 48 o 9.522000       1.354000      ?             ?      
1 1 1 1  36 49 o -2.561000      1.473000      ?             ?      
1 1 1 1  36 50 o 5.292000       1.327000      ?             ?      
1 1 1 1  36 51 o 0.6933000      1.296000      ?             ?      
1 1 1 1  36 52 o 0.2776000      1.288000      ?             ?      
1 1 1 1  36 53 o 6.517000       1.203000      ?             ?      
1 1 1 1  36 54 o 7.042000       2.374000      ?             ?      
1 1 1 1  36 55 o 3.242000       2.282000      ?             ?      
1 1 1 1  36 56 o -1.017000      1.222000      ?             ?      
1 1 1 1  36 57 o 3.894000       1.200000      ?             ?      
1 1 1 1  36 58 o 0.8713000      1.197000      ?             ?      
1 1 1 1  36 59 o 2.067000       1.212000      ?             ?      
1 1 1 1  36 60 o 4.275000       1.247000      ?             ?      
1 1 1 1  36 61 o 2.437000       1.251000      ?             ?      
1 1 1 1  36 62 o 2.448000       1.395000      ?             ?      
1 1 1 1  36 63 o 0.1518000      1.491000      ?             ?      
1 1 1 1  36 64 o -0.3290000     1.422000      ?             ?      
1 1 1 1  36 65 o 0.8641000      1.829000      ?             ?      
1 1 1 1  37 0  o -1.021000      2.182000      407.3602      -90.0  
1 1 1 1  37 1  o 19.44000       1.171000      547.8673      117.9  
1 1 1 1  37 2  o 17.63000       0.8654000     646.2870      -152.1 
1 1 1 1  37 3  o 2.978000       0.7317000     261.4568      52.1   
1 1 1 1  37 4  o 16.35000       0.8156000     625.3178      33.4   
1 1 1 1  37 5  o 4.800000       0.7009000     77.95081      -179.4 
1 1 1 1  37 6  o 23.62000       0.8738000     590.2395      -3.8   
1 1 1 1  37 7  o 107.9000       2.315000      1318.082      -0.3   
1 1 1 1  37 8  o 19.51000       0.8250000     592.5797      170.3  
1 1 1 1  37 9  o 9.093000       0.5726000     480.3886      126.5  
1 1 1 1  37 10 o 8.654000       0.6003000     447.1711      95.9   
1 1 1 1  37 11 o 34.97000       1.451000      752.6934      161.3  
1 1 1 1  37 12 o 1.105000       1.218000      122.1306      135.4  
1 1 1 1  37 13 o 19.28000       1.429000      632.0554      55.2   
1 1 1 1  37 14 o 56.91000       2.183000      1074.716      39.5   
1 1 1 1  37 15 o 3.491000       1.258000      367.3926      -111.2 
1 1 1 1  37 16 o 18.67000       2.805000      531.7303      147.6  
1 1 1 1  37 18 o 1.020000       1.924000      114.4027      -87.0  
1 1 1 1  37 19 o 27.14000       1.637000      714.6028      -176.1 
1 1 1 1  37 20 o 29.04000       1.688000      779.2806      -19.5  
1 1 1 1  37 21 o 16.94000       1.500000      685.1509      -132.8 
1 1 1 1  37 22 o 12.81000       1.445000      443.3217      79.1   
1 1 1 1  37 23 o 1.257000       1.327000      192.9234      144.3  
1 1 1 1  37 24 o 28.52000       1.710000      919.8734      162.5  
1 1 1 1  37 25 o 17.16000       1.559000      749.1650      151.0  
1 1 1 1  37 26 o 0.7223000      1.397000      198.8275      63.3   
1 1 1 1  37 27 o 17.06000       2.221000      566.6647      -7.2   
1 1 1 1  37 28 o 12.08000       1.554000      518.9160      165.6  
1 1 1 1  37 29 o 20.28000       1.671000      599.7454      64.6   
1 1 1 1  37 30 o 11.18000       0.7422000     510.2971      -55.0  
1 1 1 1  37 31 o 32.74000       1.255000      742.5093      179.0  
1 1 1 1  37 32 o 0.8554000      0.7011000     26.92774      80.1   
1 1 1 1  37 33 o 2.471000       0.8390000     327.8438      -76.6  
1 1 1 1  37 34 o 10.08000       0.9813000     414.0272      62.4   
1 1 1 1  37 35 o 14.28000       1.194000      656.1174      -168.0 
1 1 1 1  37 36 o 3.526000       1.246000      140.4689      -83.1  
1 1 1 1  37 37 o 17.26000       1.251000      591.6999      -100.0 
1 1 1 1  37 38 o 4.639000       1.223000      243.1299      9.3    
1 1 1 1  37 39 o 2.491000       1.554000      246.0648      136.9  
1 1 1 1  37 40 o 3.802000       1.685000      255.2174      -98.6  
1 1 1 1  37 41 o 4.148000       1.120000      273.7077      -148.4 
1 1 1 1  37 42 o 11.50000       1.208000      428.1740      150.4  
1 1 1 1  37 43 o 6.459000       1.187000      421.9720      145.9  
1 1 1 1  37 44 o 4.844000       1.166000      319.1327      175.8  
1 1 1 1  37 45 o 23.31000       1.339000      724.2596      172.2  
1 1 1 1  37 46 o 9.904000       1.200000      ?             ?      
1 1 1 1  37 47 o 3.269000       1.147000      ?             ?      
1 1 1 1  37 48 o 6.868000       1.275000      ?             ?      
1 1 1 1  37 49 o -0.2829000     1.256000      ?             ?      
1 1 1 1  37 50 o 1.869000       1.182000      ?             ?      
1 1 1 1  37 51 o 5.181000       1.185000      ?             ?      
1 1 1 1  37 52 o 1.478000       1.143000      ?             ?      
1 1 1 1  37 53 o 2.664000       1.213000      ?             ?      
1 1 1 1  37 54 o 1.600000       1.429000      ?             ?      
1 1 1 1  37 55 f 3.241000       2.948000      ?             ?      
1 1 1 1  37 56 o -0.5226000     1.441000      ?             ?      
1 1 1 1  37 57 o 1.007000       1.283000      ?             ?      
1 1 1 1  37 58 o 1.080000       1.292000      ?             ?      
1 1 1 1  37 59 o 2.294000       1.312000      ?             ?      
1 1 1 1  37 60 o 1.829000       1.223000      ?             ?      
1 1 1 1  37 61 o 0.6544000      1.290000      ?             ?      
1 1 1 1  37 62 o 3.853000       1.385000      ?             ?      
1 1 1 1  37 63 o 2.759000       1.398000      ?             ?      
1 1 1 1  37 64 o -0.6993000     1.266000      ?             ?      
1 1 1 1  38 1  o 5.613000       1.118000      536.0061      120.7  
1 1 1 1  38 2  o 3.242000       0.7485000     323.5192      -135.4 
1 1 1 1  38 3  o 3.164000       0.7325000     328.4563      -58.3  
1 1 1 1  38 4  o 6.104000       0.7282000     269.5271      -113.9 
1 1 1 1  38 5  o 11.45000       0.7630000     421.1071      -73.6  
1 1 1 1  38 6  o 11.33000       0.7473000     464.9088      -126.5 
1 1 1 1  38 7  o 79.42000       1.795000      1441.126      65.1   
1 1 1 1  38 8  o 9.736000       0.6538000     538.7558      -153.2 
1 1 1 1  38 9  o 13.97000       0.6579000     525.5370      -97.2  
1 1 1 1  38 10 o 80.59000       1.787000      1133.128      -125.5 
1 1 1 1  38 11 o 21.01000       1.224000      657.3565      -111.4 
1 1 1 1  38 12 o 6.103000       1.231000      177.7996      -110.4 
1 1 1 1  38 13 o 0.7962000      1.209000      89.71780      12.8   
1 1 1 1  38 14 o 7.026000       1.266000      401.7344      -65.6  
1 1 1 1  38 15 o 0.8620000      1.256000      174.1629      92.1   
1 1 1 1  38 16 o -3.266000      1.789000      133.7726      139.3  
1 1 1 1  38 17 o 8.087000       2.860000      346.7333      138.0  
1 1 1 1  38 18 o 27.25000       1.692000      655.8536      88.2   
1 1 1 1  38 19 o 34.67000       1.804000      689.7181      -111.2 
1 1 1 1  38 20 o 3.627000       1.344000      450.5316      -3.0   
1 1 1 1  38 21 o 11.95000       1.441000      404.6227      149.1  
1 1 1 1  38 22 o 19.66000       1.548000      800.2723      -91.6  
1 1 1 1  38 23 o 22.08000       1.602000      704.1175      -133.8 
1 1 1 1  38 24 o 0.2102000E-01  1.351000      107.1269      -111.4 
1 1 1 1  38 25 o 36.95000       1.932000      840.4667      89.3   
1 1 1 1  38 26 o -0.5513000     1.419000      94.83878      -136.0 
1 1 1 1  38 27 o 16.15000       1.614000      566.3352      -130.1 
1 1 1 1  38 28 o 8.258000       1.554000      462.3416      98.6   
1 1 1 1  38 29 o 5.072000       1.526000      218.6006      147.5  
1 1 1 1  38 30 o 4.172000       1.486000      173.3390      176.7  
1 1 1 1  38 31 o 3.866000       0.6791000     345.5659      -98.5  
1 1 1 1  38 32 o 1.302000       0.6467000     251.0028      -151.1 
1 1 1 1  38 33 o 1.562000       1.248000      205.1420      56.6   
1 1 1 1  38 34 o 15.42000       1.240000      564.0771      58.4   
1 1 1 1  38 35 o 3.246000       0.9985000     202.4780      -97.4  
1 1 1 1  38 36 o 10.95000       1.187000      409.3727      -74.3  
1 1 1 1  38 37 o 8.173000       1.005000      390.4973      85.5   
1 1 1 1  38 38 o 13.16000       1.059000      499.9824      -64.0  
1 1 1 1  38 39 o 1.204000       1.110000      271.8260      100.9  
1 1 1 1  38 40 o 10.96000       1.763000      589.3778      -121.8 
1 1 1 1  38 41 o 11.20000       1.483000      513.1414      -113.2 
1 1 1 1  38 42 o -1.015000      1.098000      148.0333      83.5   
1 1 1 1  38 43 o 1.977000       1.115000      223.2012      83.0   
1 1 1 1  38 44 o 1.479000       1.127000      105.0737      -175.1 
1 1 1 1  38 45 o -0.3997000     1.120000      ?             ?      
1 1 1 1  38 46 o 2.012000       1.123000      ?             ?      
1 1 1 1  38 47 o 6.528000       1.235000      ?             ?      
1 1 1 1  38 48 o 5.261000       1.367000      ?             ?      
1 1 1 1  38 49 o 10.32000       1.297000      ?             ?      
1 1 1 1  38 50 o 2.335000       1.118000      ?             ?      
1 1 1 1  38 51 o -0.4683000     1.104000      ?             ?      
1 1 1 1  38 52 o -0.3739000     1.120000      ?             ?      
1 1 1 1  38 53 o 2.014000       1.126000      ?             ?      
1 1 1 1  38 54 o -0.1406000     1.127000      ?             ?      
1 1 1 1  38 55 o 1.444000       1.384000      ?             ?      
1 1 1 1  38 56 o 0.5736000      2.022000      ?             ?      
1 1 1 1  38 57 o -1.882000      1.646000      ?             ?      
1 1 1 1  38 58 o -0.2861000     1.276000      ?             ?      
1 1 1 1  38 59 o 2.180000       1.251000      ?             ?      
1 1 1 1  38 60 o -1.406000      1.841000      ?             ?      
1 1 1 1  38 61 o 0.8430000E-01  1.356000      ?             ?      
1 1 1 1  38 62 o 0.2798000      1.530000      ?             ?      
1 1 1 1  38 63 o 3.081000       1.801000      ?             ?      
1 1 1 1  39 0  o -3.225000      2.064000      7.779958      90.0   
1 1 1 1  39 1  o -0.8239000     0.8684000     291.1797      144.4  
1 1 1 1  39 2  o 6.895000       0.7712000     265.7418      -139.8 
1 1 1 1  39 3  o 10.27000       0.7785000     462.1695      22.6   
1 1 1 1  39 4  o 2.883000       0.7150000     266.7998      135.5  
1 1 1 1  39 5  o 19.94000       0.8677000     498.2846      -63.5  
1 1 1 1  39 6  o 11.24000       0.7525000     342.0078      28.0   
1 1 1 1  39 7  o -1.505000      0.6324000     114.4047      179.2  
1 1 1 1  39 8  o 2.054000       0.5927000     213.5893      170.3  
1 1 1 1  39 9  o 34.14000       0.9566000     698.1915      -24.7  
1 1 1 1  39 10 o 7.473000       0.5766000     541.1745      20.2   
1 1 1 1  39 11 o 13.74000       1.090000      472.8714      -58.3  
1 1 1 1  39 12 o 3.992000       1.206000      404.5712      62.7   
1 1 1 1  39 13 o 1.476000       1.198000      128.6034      49.8   
1 1 1 1  39 14 o 0.6454000      1.223000      126.3546      -110.2 
1 1 1 1  39 15 o -0.2133000     1.556000      199.3823      -133.9 
1 1 1 1  39 17 o 6.132000       1.956000      201.9860      -60.5  
1 1 1 1  39 18 o 0.4587000      1.315000      33.88697      -13.8  
1 1 1 1  39 19 o 0.5131000      1.334000      37.23402      158.4  
1 1 1 1  39 20 o 8.997000       1.404000      576.1632      -38.2  
1 1 1 1  39 21 o 12.52000       1.461000      519.6006      -179.5 
1 1 1 1  39 22 o 4.385000       1.374000      191.3681      -6.0   
1 1 1 1  39 23 o 0.1881000      1.353000      105.2388      154.5  
1 1 1 1  39 24 o 10.86000       1.461000      540.6680      -156.1 
1 1 1 1  39 25 o 19.62000       1.649000      586.5004      0.0    
1 1 1 1  39 26 o 0.2083000      1.462000      169.9221      162.0  
1 1 1 1  39 27 o 6.768000       1.542000      256.5143      -148.7 
1 1 1 1  39 28 o 5.313000       1.585000      344.8870      -6.9   
1 1 1 1  39 29 o 3.672000       1.582000      240.2681      64.3   
1 1 1 1  39 30 o 1.782000       1.555000      121.8395      -127.2 
1 1 1 1  39 31 o 6.930000       1.664000      322.2657      -177.2 
1 1 1 1  39 32 o 3.405000       0.7452000     145.4921      -47.6  
1 1 1 1  39 33 o 9.095000       1.000000      407.0478      -9.9   
1 1 1 1  39 34 o 3.892000       0.8680000     321.8238      60.1   
1 1 1 1  39 35 o 2.729000       0.8299000     231.8819      -64.5  
1 1 1 1  39 36 o 2.881000       0.8741000     248.5732      -138.9 
1 1 1 1  39 37 o -0.6183000E-01 0.9129000     115.2263      52.2   
1 1 1 1  39 38 o 6.376000       0.9803000     332.2783      -159.8 
1 1 1 1  39 39 o 1.624000       0.9812000     103.2134      -98.5  
1 1 1 1  39 40 o 0.5462000      1.110000      147.8170      -62.3  
1 1 1 1  39 41 o 4.342000       2.090000      160.2704      -110.6 
1 1 1 1  39 42 o 2.128000       1.376000      174.1241      106.5  
1 1 1 1  39 43 f 6.790000       1.117000      354.4136      -153.5 
1 1 1 1  39 44 o -0.1028000     1.082000      ?             ?      
1 1 1 1  39 45 o -0.9803000     1.075000      ?             ?      
1 1 1 1  39 46 f 5.002000       1.109000      ?             ?      
1 1 1 1  39 47 o 3.650000       1.176000      ?             ?      
1 1 1 1  39 48 o -0.7055000     1.169000      ?             ?      
1 1 1 1  39 49 o 1.545000       1.086000      ?             ?      
1 1 1 1  39 50 o 1.527000       1.092000      ?             ?      
1 1 1 1  39 51 f 0.8493000      1.089000      ?             ?      
1 1 1 1  39 52 o 1.735000       1.095000      ?             ?      
1 1 1 1  39 53 o 1.113000       1.101000      ?             ?      
1 1 1 1  39 54 o 0.3286000      1.106000      ?             ?      
1 1 1 1  39 55 o 2.272000       1.132000      ?             ?      
1 1 1 1  39 56 o 0.6038000      1.399000      ?             ?      
1 1 1 1  39 57 o 1.531000       2.016000      ?             ?      
1 1 1 1  39 58 o 0.9925000      1.307000      ?             ?      
1 1 1 1  39 59 o 0.7171000E-01  1.194000      ?             ?      
1 1 1 1  39 60 o -0.5166000     1.490000      ?             ?      
1 1 1 1  39 61 o 4.061000       1.533000      ?             ?      
1 1 1 1  39 62 o 0.8440000      1.364000      ?             ?      
1 1 1 1  39 63 o 0.3589000      1.543000      ?             ?      
1 1 1 1  40 0  o 8.822000       1.577000      380.2425      -90.0  
1 1 1 1  40 1  o 2.712000       0.9869000     269.5947      -172.9 
1 1 1 1  40 2  o 15.71000       0.9258000     225.4186      -104.0 
1 1 1 1  40 3  o 13.70000       0.8228000     333.6901      70.5   
1 1 1 1  40 4  o 5.661000       0.7330000     279.7828      -108.3 
1 1 1 1  40 5  o 1.985000       0.7146000     96.37729      34.7   
1 1 1 1  40 6  o -0.2316000     0.6835000     37.60349      136.7  
1 1 1 1  40 7  o 29.85000       0.9562000     582.2132      76.0   
1 1 1 1  40 8  o 6.776000       0.6171000     258.9614      -113.7 
1 1 1 1  40 9  o 2.513000       0.6755000     111.9265      -98.5  
1 1 1 1  40 10 f 2.688000       0.5126000     143.7441      -32.9  
1 1 1 1  40 11 o 19.30000       0.8847000     506.6000      103.6  
1 1 1 1  40 12 o 23.51000       1.484000      551.7697      -81.7  
1 1 1 1  40 13 o 2.647000       1.241000      99.66993      8.7    
1 1 1 1  40 14 o 11.38000       1.364000      466.6681      56.8   
1 1 1 1  40 15 o 5.483000       1.896000      338.1992      116.8  
1 1 1 1  40 16 o 1.778000       2.818000      179.4952      -42.0  
1 1 1 1  40 17 o 1.372000       1.368000      179.9838      -115.0 
1 1 1 1  40 18 o 2.516000       1.311000      35.52040      89.7   
1 1 1 1  40 19 o -0.5889000     1.334000      98.16227      -39.5  
1 1 1 1  40 20 o 5.607000       1.387000      305.1187      -52.6  
1 1 1 1  40 21 o 3.316000       1.368000      249.4489      122.0  
1 1 1 1  40 22 o 3.390000       1.396000      249.2486      -150.4 
1 1 1 1  40 23 o 2.129000       1.389000      225.3076      -76.8  
1 1 1 1  40 24 o 5.464000       1.434000      222.2829      35.6   
1 1 1 1  40 25 o 1.479000       1.447000      78.66546      117.8  
1 1 1 1  40 26 o 0.3832000      1.493000      199.0288      125.7  
1 1 1 1  40 27 o 0.2324000      1.527000      119.5727      -63.7  
1 1 1 1  40 28 o 0.6057000      1.587000      61.34385      -96.3  
1 1 1 1  40 29 o 7.957000       1.683000      381.2975      -143.8 
1 1 1 1  40 30 o 8.321000       1.714000      229.0757      -142.4 
1 1 1 1  40 31 o -3.844000      2.386000      36.08353      131.2  
1 1 1 1  40 33 o 1.402000       2.000000      162.7962      65.0   
1 1 1 1  40 34 o 12.11000       0.9155000     438.2028      97.7   
1 1 1 1  40 35 o 0.7078000      0.6473000     218.9228      -61.7  
1 1 1 1  40 36 o 9.422000       1.104000      406.0712      63.3   
1 1 1 1  40 37 o 10.42000       1.064000      404.3272      -80.3  
1 1 1 1  40 38 o -0.3434000     0.8980000     23.10807      15.1   
1 1 1 1  40 39 o -0.9008000E-01 0.9134000     50.15644      -52.6  
1 1 1 1  40 40 o 0.2254000      0.9449000     13.36216      142.8  
1 1 1 1  40 41 o 7.687000       1.150000      328.5888      77.3   
1 1 1 1  40 42 o 8.107000       2.185000      ?             ?      
1 1 1 1  40 43 o -0.2385000E-01 1.197000      ?             ?      
1 1 1 1  40 44 o 5.645000       1.066000      ?             ?      
1 1 1 1  40 45 o -1.264000      1.025000      ?             ?      
1 1 1 1  40 46 o 0.9268000      1.104000      ?             ?      
1 1 1 1  40 47 o 1.486000       1.222000      ?             ?      
1 1 1 1  40 48 o 2.364000       1.111000      ?             ?      
1 1 1 1  40 49 o 3.131000       1.106000      ?             ?      
1 1 1 1  40 50 o 4.550000       1.094000      ?             ?      
1 1 1 1  40 51 o 3.532000       1.097000      ?             ?      
1 1 1 1  40 52 o 0.6319000      1.091000      ?             ?      
1 1 1 1  40 53 o 7.961000       1.171000      ?             ?      
1 1 1 1  40 54 o 1.041000       1.113000      ?             ?      
1 1 1 1  40 55 o 7.565000       1.165000      ?             ?      
1 1 1 1  40 56 o 0.8672000E-01  1.126000      ?             ?      
1 1 1 1  40 57 o 2.164000       1.763000      ?             ?      
1 1 1 1  40 58 o 1.332000       1.728000      ?             ?      
1 1 1 1  40 59 o 8.199000       1.746000      ?             ?      
1 1 1 1  40 60 o 1.684000       1.834000      ?             ?      
1 1 1 1  40 61 o 1.507000       1.337000      ?             ?      
1 1 1 1  40 62 o -0.3930000     1.234000      ?             ?      
1 1 1 1  41 0  o -1.421000      1.182000      1.053960      -90.0  
1 1 1 1  41 1  o 4.822000       1.073000      104.9051      146.6  
1 1 1 1  41 2  o 4.174000       0.8891000     195.7770      -170.1 
1 1 1 1  41 3  o 4.278000       0.7559000     109.5460      -59.0  
1 1 1 1  41 4  o 2.593000       0.7216000     153.4505      -12.1  
1 1 1 1  41 5  o 5.097000       0.7265000     162.6927      -124.1 
1 1 1 1  41 6  o 9.296000       0.7353000     303.4023      165.5  
1 1 1 1  41 7  o 2.046000       0.6567000     70.05496      157.9  
1 1 1 1  41 8  o 4.985000       0.6284000     179.6247      158.8  
1 1 1 1  41 9  o 0.8788000      0.5671000     176.7105      -76.6  
1 1 1 1  41 10 o 0.2329000      0.5070000     206.1200      150.7  
1 1 1 1  41 11 o -0.7581000     0.6151000     184.4492      108.3  
1 1 1 1  41 12 o 3.298000       1.235000      199.9957      154.6  
1 1 1 1  41 13 o 1.707000       1.263000      32.42887      114.9  
1 1 1 1  41 14 o 7.529000       1.720000      289.8169      -113.1 
1 1 1 1  41 16 o 6.996000       2.079000      173.5185      62.0   
1 1 1 1  41 17 o 3.457000       1.396000      177.5698      -146.0 
1 1 1 1  41 18 o 2.277000       1.383000      115.1031      -24.4  
1 1 1 1  41 19 o 4.792000       1.401000      187.3298      131.2  
1 1 1 1  41 20 o 0.5810000      1.371000      166.2725      -40.9  
1 1 1 1  41 21 o 1.370000       1.392000      62.19523      164.5  
1 1 1 1  41 22 o 1.734000       1.418000      96.17858      158.2  
1 1 1 1  41 23 o 0.8493000      1.448000      55.72782      -145.3 
1 1 1 1  41 24 o 9.445000       1.527000      266.6409      171.9  
1 1 1 1  41 25 o -1.050000      1.487000      128.3966      162.9  
1 1 1 1  41 26 o -3.024000      1.530000      167.7056      -115.8 
1 1 1 1  41 27 o 19.70000       1.825000      390.0952      -41.7  
1 1 1 1  41 28 o 3.064000       1.642000      112.4641      142.7  
1 1 1 1  41 29 o 4.023000       1.699000      195.9108      24.4   
1 1 1 1  41 30 o 7.379000       1.797000      258.1875      -50.1  
1 1 1 1  41 31 o 5.675000       2.739000      196.4101      19.1   
1 1 1 1  41 32 o 14.20000       2.927000      325.9870      0.8    
1 1 1 1  41 33 o 7.575000       2.014000      355.7869      -163.4 
1 1 1 1  41 34 o -1.773000      1.967000      108.2789      88.1   
1 1 1 1  41 35 o 6.184000       0.7939000     294.3255      -175.7 
1 1 1 1  41 36 o 5.380000       0.7524000     277.8008      137.9  
1 1 1 1  41 37 o 0.1595000      0.7313000     124.5021      -14.1  
1 1 1 1  41 38 o 0.3230000      0.7946000     119.9046      110.7  
1 1 1 1  41 39 o 2.669000       0.8718000     148.6663      -14.5  
1 1 1 1  41 40 o 1.700000       0.9032000     54.01170      -10.5  
1 1 1 1  41 41 o -0.2386000E-01 0.9417000     ?             ?      
1 1 1 1  41 42 o -0.8361000     1.050000      ?             ?      
1 1 1 1  41 43 o 4.988000       2.155000      ?             ?      
1 1 1 1  41 44 o -0.6019000     1.152000      ?             ?      
1 1 1 1  41 45 o 1.831000       1.001000      ?             ?      
1 1 1 1  41 46 o 6.647000       1.119000      ?             ?      
1 1 1 1  41 47 o 0.8303000      1.100000      ?             ?      
1 1 1 1  41 48 o 0.3554000      1.011000      ?             ?      
1 1 1 1  41 49 o 1.665000       1.011000      ?             ?      
1 1 1 1  41 50 o -0.8648000     1.024000      ?             ?      
1 1 1 1  41 51 o 0.7917000      1.048000      ?             ?      
1 1 1 1  41 52 o 0.9832000      1.057000      ?             ?      
1 1 1 1  41 53 o 4.258000       1.104000      ?             ?      
1 1 1 1  41 54 o 2.710000       1.102000      ?             ?      
1 1 1 1  41 55 o -0.5907000     1.100000      ?             ?      
1 1 1 1  41 56 o -1.013000      1.112000      ?             ?      
1 1 1 1  41 57 o -1.170000      1.277000      ?             ?      
1 1 1 1  41 58 o 3.955000       2.089000      ?             ?      
1 1 1 1  41 59 o 3.237000       2.382000      ?             ?      
1 1 1 1  41 60 o 4.387000       1.425000      ?             ?      
1 1 1 1  41 61 o 0.5674000      1.308000      ?             ?      
1 1 1 1  42 0  o 16.95000       1.235000      200.6221      90.0   
1 1 1 1  42 1  o -0.7057000     0.9616000     147.8716      104.3  
1 1 1 1  42 2  o 0.1151000      0.9870000     27.61092      2.0    
1 1 1 1  42 3  o 5.270000       0.7615000     162.6510      110.1  
1 1 1 1  42 4  o 1.865000       0.7200000     111.0529      150.4  
1 1 1 1  42 5  o 3.055000       0.7166000     127.0844      46.4   
1 1 1 1  42 6  o 2.539000       0.7009000     102.5812      -28.9  
1 1 1 1  42 7  o -1.201000      0.6503000     183.1375      -84.6  
1 1 1 1  42 8  o 1.696000       0.6379000     87.71793      -59.5  
1 1 1 1  42 9  o 6.505000       0.6282000     93.93593      88.3   
1 1 1 1  42 10 o 1.697000       0.5285000     155.4367      91.5   
1 1 1 1  42 11 o 13.90000       1.086000      329.3004      -106.9 
1 1 1 1  42 12 o 5.844000       1.300000      158.0598      -84.6  
1 1 1 1  42 13 o 6.826000       1.370000      219.2336      53.9   
1 1 1 1  42 14 o 4.901000       2.015000      151.1088      64.0   
1 1 1 1  42 15 o 5.096000       3.164000      230.8530      90.8   
1 1 1 1  42 16 o 1.729000       1.821000      120.2376      20.0   
1 1 1 1  42 17 o 14.34000       1.576000      345.6861      -87.7  
1 1 1 1  42 18 o 4.606000       1.471000      112.6839      -114.8 
1 1 1 1  42 19 o -0.5846000     1.432000      98.25842      80.9   
1 1 1 1  42 20 o 0.4699000      1.436000      85.91627      -140.5 
1 1 1 1  42 21 o 6.086000       1.495000      233.7343      113.2  
1 1 1 1  42 22 o 2.466000       1.468000      182.5101      -115.6 
1 1 1 1  42 23 o 1.748000       1.463000      42.39113      -71.5  
1 1 1 1  42 24 o 1.009000       1.492000      95.07075      63.3   
1 1 1 1  42 25 o -1.861000      2.175000      83.90069      -85.2  
1 1 1 1  42 26 o 7.481000       1.658000      147.1879      74.0   
1 1 1 1  42 27 o 5.346000       1.699000      229.2933      -39.8  
1 1 1 1  42 28 o -0.1537000     1.686000      117.0764      -57.5  
1 1 1 1  42 29 o 3.859000       1.731000      171.0815      -139.3 
1 1 1 1  42 30 o 9.812000       2.594000      237.8317      120.7  
1 1 1 1  42 32 o -1.237000      2.772000      86.62254      -173.9 
1 1 1 1  42 33 o 0.1166000      1.990000      128.1202      114.9  
1 1 1 1  42 34 o 6.811000       2.062000      221.0683      -84.6  
1 1 1 1  42 35 o 4.262000       2.057000      186.9247      87.0   
1 1 1 1  42 36 o 1.584000       0.9085000     26.40605      -70.0  
1 1 1 1  42 37 o 0.4280000      0.7293000     95.46666      -141.9 
1 1 1 1  42 38 o 0.7209000      0.6850000     87.40064      144.8  
1 1 1 1  42 39 o 2.614000       0.7738000     72.68314      165.3  
1 1 1 1  42 40 o 8.886000       1.025000      ?             ?      
1 1 1 1  42 41 o 2.246000       0.8658000     ?             ?      
1 1 1 1  42 42 o -0.5248000     0.8828000     ?             ?      
1 1 1 1  42 43 o -0.9775000     1.015000      ?             ?      
1 1 1 1  42 44 o 0.9677000      2.050000      ?             ?      
1 1 1 1  42 45 o -1.208000      1.193000      ?             ?      
1 1 1 1  42 46 o 0.9389000      1.100000      ?             ?      
1 1 1 1  42 47 f 0.3013000      1.041000      ?             ?      
1 1 1 1  42 48 o -0.3170000     0.9750000     ?             ?      
1 1 1 1  42 49 o -0.7128000     0.9831000     ?             ?      
1 1 1 1  42 50 o 3.540000       1.027000      ?             ?      
1 1 1 1  42 51 o -0.9081000     1.011000      ?             ?      
1 1 1 1  42 52 o 0.5702000E-01  1.018000      ?             ?      
1 1 1 1  42 53 o 1.952000       1.037000      ?             ?      
1 1 1 1  42 54 o 0.6181000      1.045000      ?             ?      
1 1 1 1  42 55 o 1.214000       1.068000      ?             ?      
1 1 1 1  42 56 o 1.879000       1.100000      ?             ?      
1 1 1 1  42 57 o 0.8087000      1.115000      ?             ?      
1 1 1 1  42 58 o -2.181000      1.976000      ?             ?      
1 1 1 1  42 59 o -1.618000      2.872000      ?             ?      
1 1 1 1  42 60 o -0.8895000E-01 1.668000      ?             ?      
1 1 1 1  43 0  o -0.4848000     1.054000      23.87782      -90.0  
1 1 1 1  43 1  o -2.058000      0.8644000     81.21251      -168.1 
1 1 1 1  43 2  o 1.297000       1.004000      76.29310      172.5  
1 1 1 1  43 3  o 0.3331000      0.8238000     120.4390      -91.2  
1 1 1 1  43 4  o 0.8076000      0.7338000     15.80581      165.4  
1 1 1 1  43 5  o -1.149000      0.7204000     92.46223      70.0   
1 1 1 1  43 6  o -0.4312000     0.7013000     113.8272      -165.1 
1 1 1 1  43 7  o 1.808000       0.6749000     29.69230      -9.5   
1 1 1 1  43 8  o 1.874000       0.6583000     67.45457      56.7   
1 1 1 1  43 9  o 4.054000       0.6307000     120.4427      93.3   
1 1 1 1  43 10 o 0.8788000      0.5325000     59.29758      11.9   
1 1 1 1  43 11 o 1.840000       0.5234000     73.43861      157.2  
1 1 1 1  43 12 o 2.082000       0.9979000     85.87621      -47.7  
1 1 1 1  43 13 o 9.330000       1.738000      296.8669      11.9   
1 1 1 1  43 14 o 2.953000       3.003000      186.5326      -178.7 
1 1 1 1  43 15 o -1.199000      2.079000      30.94151      106.9  
1 1 1 1  43 16 o 11.50000       1.573000      260.2066      11.9   
1 1 1 1  43 17 o 9.089000       1.546000      265.9458      132.8  
1 1 1 1  43 18 o 1.819000       2.122000      117.1184      16.5   
1 1 1 1  43 19 o 0.8626000      1.495000      101.0116      -62.2  
1 1 1 1  43 20 o 1.175000       1.499000      106.7971      -119.6 
1 1 1 1  43 21 o 0.3735000      1.493000      85.96139      -12.5  
1 1 1 1  43 22 o 3.601000       1.522000      66.13093      167.6  
1 1 1 1  43 23 o 5.191000       1.545000      110.0144      -1.4   
1 1 1 1  43 24 o 0.9301000      1.576000      60.85218      -123.3 
1 1 1 1  43 25 o 17.34000       1.799000      333.8495      -19.3  
1 1 1 1  43 26 o 1.175000       1.659000      107.8792      -43.9  
1 1 1 1  43 27 o -1.853000      1.684000      66.95135      131.1  
1 1 1 1  43 28 o 1.326000       1.736000      56.89234      -162.9 
1 1 1 1  43 29 o -3.349000      2.558000      61.70274      -26.0  
1 1 1 1  43 30 o 1.598000       2.792000      61.97812      -12.7  
1 1 1 1  43 31 o 1.261000       2.834000      173.9750      -163.1 
1 1 1 1  43 32 o -1.480000      1.984000      138.1808      138.8  
1 1 1 1  43 33 o 13.95000       2.142000      222.9078      157.9  
1 1 1 1  43 34 o 5.833000       2.073000      143.5468      -150.0 
1 1 1 1  43 35 o -0.1911000     2.010000      86.82623      -13.4  
1 1 1 1  43 36 o -0.8724000     1.491000      120.3551      -179.4 
1 1 1 1  43 37 o 4.693000       1.580000      243.5707      0.4    
1 1 1 1  43 38 o 1.433000       0.6189000     ?             ?      
1 1 1 1  43 39 o 0.7955000      0.6308000     ?             ?      
1 1 1 1  43 40 o 0.7396000      0.7081000     ?             ?      
1 1 1 1  43 41 o 0.8061000E-01  0.7612000     ?             ?      
1 1 1 1  43 42 o 4.595000       0.8454000     ?             ?      
1 1 1 1  43 43 o 1.779000       0.8489000     ?             ?      
1 1 1 1  43 44 o -1.288000      0.9744000     ?             ?      
1 1 1 1  43 45 o 0.4435000      2.809000      ?             ?      
1 1 1 1  43 46 o 1.350000       1.176000      ?             ?      
1 1 1 1  43 47 o 1.635000       0.9316000     ?             ?      
1 1 1 1  43 48 o -0.8349000     0.9600000     ?             ?      
1 1 1 1  43 49 o 2.681000       0.9932000     ?             ?      
1 1 1 1  43 50 o 0.9750000      0.9970000     ?             ?      
1 1 1 1  43 51 o 2.685000       1.012000      ?             ?      
1 1 1 1  43 52 o 1.496000       1.003000      ?             ?      
1 1 1 1  43 53 o 0.5513000      1.013000      ?             ?      
1 1 1 1  43 54 o 1.018000       1.034000      ?             ?      
1 1 1 1  43 55 o 2.363000       1.068000      ?             ?      
1 1 1 1  43 56 o -0.7149000     1.132000      ?             ?      
1 1 1 1  43 57 o 0.8438000      1.111000      ?             ?      
1 1 1 1  43 58 o 0.5571000      1.210000      ?             ?      
1 1 1 1  43 59 o 1.419000       1.970000      ?             ?      
1 1 1 1  44 0  o 5.801000       1.093000      342.4767      90.0   
1 1 1 1  44 1  o 1.318000       0.8081000     60.99997      31.9   
1 1 1 1  44 2  o 4.527000       1.146000      164.3364      -63.8  
1 1 1 1  44 3  o 5.126000       0.8616000     213.3532      106.5  
1 1 1 1  44 4  o 15.26000       0.8672000     339.5758      -116.3 
1 1 1 1  44 5  o 4.223000       0.8127000     165.4301      -48.5  
1 1 1 1  44 6  o 15.67000       0.8348000     348.6670      -95.6  
1 1 1 1  44 7  o 4.091000       0.6949000     135.1933      14.6   
1 1 1 1  44 8  o 2.633000       0.6628000     161.6923      89.4   
1 1 1 1  44 9  o 1.389000       0.6120000     101.0500      94.5   
1 1 1 1  44 10 o 0.2340000      0.5314000     87.64162      -88.0  
1 1 1 1  44 11 o 2.229000       0.5256000     170.5495      79.6   
1 1 1 1  44 12 o 0.5429000E-01  1.002000      14.03371      103.4  
1 1 1 1  44 13 o 1.403000       1.905000      105.7233      102.3  
1 1 1 1  44 15 o 3.752000       1.828000      179.2251      162.7  
1 1 1 1  44 16 o -1.035000      2.085000      212.6340      -92.2  
1 1 1 1  44 17 o 0.4154000      1.495000      176.1068      152.2  
1 1 1 1  44 18 o -0.5674000     1.530000      69.35139      -68.8  
1 1 1 1  44 19 o 11.62000       1.664000      359.8134      -84.9  
1 1 1 1  44 20 o -0.8168000     1.544000      28.61012      -148.2 
1 1 1 1  44 21 o -0.7991000     1.527000      75.28924      69.3   
1 1 1 1  44 22 o 5.593000       1.602000      127.2463      59.4   
1 1 1 1  44 23 o 26.40000       1.910000      526.0374      85.0   
1 1 1 1  44 24 o 1.532000       1.627000      193.2089      64.3   
1 1 1 1  44 25 o 1.250000       1.686000      131.3142      110.8  
1 1 1 1  44 26 o 5.284000       1.789000      186.5129      79.3   
1 1 1 1  44 27 o 4.824000       1.860000      100.0662      92.6   
1 1 1 1  44 28 o 0.4736000      1.822000      34.36895      -142.2 
1 1 1 1  44 29 o -3.906000      2.556000      31.30612      -178.4 
1 1 1 1  44 31 o -0.9170000     2.451000      152.8790      151.1  
1 1 1 1  44 32 o 1.525000       1.995000      112.9074      153.8  
1 1 1 1  44 33 o 8.852000       2.101000      194.7725      -90.4  
1 1 1 1  44 34 o 3.816000       2.064000      115.6295      -84.8  
1 1 1 1  44 35 o 2.817000       2.040000      144.3906      86.9   
1 1 1 1  44 36 o 7.998000       2.129000      247.8411      90.9   
1 1 1 1  44 37 o -0.7818000E-01 2.050000      ?             ?      
1 1 1 1  44 38 o 1.746000       2.058000      ?             ?      
1 1 1 1  44 39 o 2.687000       0.7377000     ?             ?      
1 1 1 1  44 40 o 0.5639000      0.5848000     ?             ?      
1 1 1 1  44 41 o 2.006000       0.6528000     ?             ?      
1 1 1 1  44 42 o 0.4300000      0.7161000     ?             ?      
1 1 1 1  44 43 o 0.8184000      0.7645000     ?             ?      
1 1 1 1  44 44 o -0.4755000     0.8318000     ?             ?      
1 1 1 1  44 45 o -0.9796000     1.077000      ?             ?      
1 1 1 1  44 46 o 1.417000       3.051000      ?             ?      
1 1 1 1  44 47 o -0.2364000     1.071000      ?             ?      
1 1 1 1  44 48 o 4.271000       0.9385000     ?             ?      
1 1 1 1  44 49 o 1.890000       0.9385000     ?             ?      
1 1 1 1  44 50 o 1.190000       0.9629000     ?             ?      
1 1 1 1  44 51 o 1.829000       0.9832000     ?             ?      
1 1 1 1  44 52 o -0.5277000     0.9815000     ?             ?      
1 1 1 1  44 53 o 0.2213000      1.000000      ?             ?      
1 1 1 1  44 54 o 0.7888000      1.037000      ?             ?      
1 1 1 1  44 55 o 4.617000       1.091000      ?             ?      
1 1 1 1  44 56 o -1.074000      1.078000      ?             ?      
1 1 1 1  44 57 o 0.1326000      1.110000      ?             ?      
1 1 1 1  44 58 o 0.3062000      1.214000      ?             ?      
1 1 1 1  45 0  o 0.9105000      1.071000      3.151684      90.0   
1 1 1 1  45 1  o 4.234000       0.7788000     155.2811      -166.0 
1 1 1 1  45 2  f 5.509000       1.053000      235.4411      -80.4  
1 1 1 1  45 3  o 2.409000       1.034000      125.1981      -9.3   
1 1 1 1  45 4  o 2.639000       0.7713000     126.9653      119.8  
1 1 1 1  45 5  o -0.3232000     0.7477000     147.6293      167.3  
1 1 1 1  45 6  o -0.8468000     0.7201000     122.5738      118.1  
1 1 1 1  45 7  o -0.2949000     0.6858000     85.55367      75.6   
1 1 1 1  45 8  o 1.031000       0.6656000     138.0840      169.7  
1 1 1 1  45 9  o 3.708000       0.7091000     307.4453      144.9  
1 1 1 1  45 10 o -0.8420000     0.5611000     49.44854      146.6  
1 1 1 1  45 11 o 1.273000       0.5195000     130.4380      147.6  
1 1 1 1  45 12 o -0.3504000     1.418000      45.77132      7.4    
1 1 1 1  45 13 o 1.763000       2.981000      243.8932      15.0   
1 1 1 1  45 14 o 9.712000       2.308000      205.7218      -134.7 
1 1 1 1  45 15 o 13.96000       1.614000      460.8624      9.8    
1 1 1 1  45 16 o 14.13000       2.361000      391.9197      -164.2 
1 1 1 1  45 17 o 31.14000       1.956000      664.6852      6.3    
1 1 1 1  45 18 o 3.490000       1.580000      186.8178      -34.8  
1 1 1 1  45 19 o 6.134000       1.663000      90.86990      -75.0  
1 1 1 1  45 20 o -0.2362000     1.601000      31.11477      62.0   
1 1 1 1  45 21 o -0.8226000     1.640000      20.19917      161.8  
1 1 1 1  45 22 o 1.385000       1.655000      181.5827      127.6  
1 1 1 1  45 23 o 9.305000       1.750000      328.3268      -10.2  
1 1 1 1  45 24 o 15.16000       2.581000      346.8440      10.2   
1 1 1 1  45 25 o 7.229000       1.812000      230.7077      115.8  
1 1 1 1  45 26 o 8.675000       1.954000      297.6737      -154.5 
1 1 1 1  45 27 o 1.669000       1.948000      142.5931      171.5  
1 1 1 1  45 28 o -0.4653000     2.349000      62.74206      -172.3 
1 1 1 1  45 29 o -1.006000      3.963000      181.5301      -140.2 
1 1 1 1  45 30 o 5.480000       2.943000      256.4005      -145.7 
1 1 1 1  45 31 o 0.9682000      1.989000      35.21080      140.5  
1 1 1 1  45 32 o 1.501000       2.001000      33.95647      1.9    
1 1 1 1  45 33 o 1.220000       2.005000      187.2054      -156.9 
1 1 1 1  45 34 o 2.184000       2.027000      48.41550      114.2  
1 1 1 1  45 35 o -0.4745000     2.039000      ?             ?      
1 1 1 1  45 36 o 5.258000       2.050000      ?             ?      
1 1 1 1  45 37 o -2.385000      2.020000      ?             ?      
1 1 1 1  45 38 o 4.199000       2.026000      ?             ?      
1 1 1 1  45 39 o 5.499000       2.054000      ?             ?      
1 1 1 1  45 40 o 3.264000       1.451000      ?             ?      
1 1 1 1  45 41 o 0.5881000      0.5774000     ?             ?      
1 1 1 1  45 42 o 1.588000       0.6018000     ?             ?      
1 1 1 1  45 43 o -0.2666000     0.6712000     ?             ?      
1 1 1 1  45 44 o 1.939000       0.7592000     ?             ?      
1 1 1 1  45 45 o 0.8259000      0.8017000     ?             ?      
1 1 1 1  45 46 o 0.3885000      0.9375000     ?             ?      
1 1 1 1  45 47 o 0.8427000      1.635000      ?             ?      
1 1 1 1  45 48 o 2.653000       1.682000      ?             ?      
1 1 1 1  45 49 o 1.174000       0.9040000     ?             ?      
1 1 1 1  45 50 o -0.1877000     0.9225000     ?             ?      
1 1 1 1  45 51 o 3.241000       0.9599000     ?             ?      
1 1 1 1  45 52 o 0.8828000      0.9799000     ?             ?      
1 1 1 1  45 53 o 2.175000       1.057000      ?             ?      
1 1 1 1  45 54 o 0.9175000      1.022000      ?             ?      
1 1 1 1  45 55 o 5.167000       1.492000      ?             ?      
1 1 1 1  45 56 o 1.622000       1.069000      ?             ?      
1 1 1 1  45 57 o 1.436000       1.173000      ?             ?      
1 1 1 1  46 0  o 0.3910000      1.086000      6.459312      -90.0  
1 1 1 1  46 1  o 4.139000       0.7893000     169.2143      12.2   
1 1 1 1  46 2  o 1.938000       0.9338000     63.03682      -148.5 
1 1 1 1  46 3  o 0.3464000      1.049000      127.9367      169.9  
1 1 1 1  46 4  o 0.4120000      0.8472000     94.99410      -117.8 
1 1 1 1  46 5  o 2.392000       0.7903000     208.0196      124.4  
1 1 1 1  46 6  o 6.086000       0.7880000     339.9799      -70.5  
1 1 1 1  46 7  o -0.8060000     0.7152000     30.67048      165.9  
1 1 1 1  46 8  o -0.7015000     0.6865000     123.6650      166.8  
1 1 1 1  46 9  o -1.707000      0.6524000     50.75066      69.7   
1 1 1 1  46 10 o 1.251000       0.5923000     198.0422      109.6  
1 1 1 1  46 11 o 0.1323000      0.6270000     133.8512      115.4  
1 1 1 1  46 12 o 7.068000       2.079000      270.8742      -109.9 
1 1 1 1  46 14 o 2.869000       1.914000      74.05501      118.7  
1 1 1 1  46 15 o 17.33000       1.705000      495.7216      -90.4  
1 1 1 1  46 16 o 14.48000       1.702000      474.4753      66.6   
1 1 1 1  46 17 o 6.653000       1.620000      319.5021      -60.9  
1 1 1 1  46 18 o -0.6117000     1.587000      195.2610      83.9   
1 1 1 1  46 19 o 6.284000       1.687000      265.5127      60.7   
1 1 1 1  46 20 o 2.214000       1.662000      197.6751      91.6   
1 1 1 1  46 21 o 6.750000       1.746000      254.6013      146.3  
1 1 1 1  46 22 o 6.839000       1.805000      313.6787      3.7    
1 1 1 1  46 23 o 11.43000       1.888000      439.1055      109.5  
1 1 1 1  46 24 o 1.512000       1.833000      83.83990      -174.9 
1 1 1 1  46 25 o 4.574000       1.900000      101.3817      -84.4  
1 1 1 1  46 26 o 0.2983000      1.941000      164.0860      -103.8 
1 1 1 1  46 27 o 5.422000       1.973000      236.9164      142.1  
1 1 1 1  46 28 o 2.644000       2.719000      100.5880      94.2   
1 1 1 1  46 30 o 10.62000       2.691000      394.4372      97.0   
1 1 1 1  46 31 o 0.5036000      2.007000      51.47216      -127.0 
1 1 1 1  46 32 o 0.6862000      1.994000      74.26491      -128.5 
1 1 1 1  46 33 o 5.556000       2.057000      ?             ?      
1 1 1 1  46 34 o 2.913000       2.035000      ?             ?      
1 1 1 1  46 35 o 3.087000       2.022000      ?             ?      
1 1 1 1  46 36 o 2.504000       1.973000      ?             ?      
1 1 1 1  46 37 o 3.186000       1.987000      ?             ?      
1 1 1 1  46 38 o -2.448000      2.004000      ?             ?      
1 1 1 1  46 39 o -0.2981000E-01 1.990000      ?             ?      
1 1 1 1  46 40 o 2.344000       2.019000      ?             ?      
1 1 1 1  46 41 o -1.507000      1.992000      ?             ?      
1 1 1 1  46 42 o 2.349000       0.7126000     ?             ?      
1 1 1 1  46 43 o 0.8824000      0.5737000     ?             ?      
1 1 1 1  46 44 o 1.162000       0.6511000     ?             ?      
1 1 1 1  46 45 o 1.236000       0.7092000     ?             ?      
1 1 1 1  46 46 o 0.7728000      0.7412000     ?             ?      
1 1 1 1  46 47 o -0.4887000     0.7756000     ?             ?      
1 1 1 1  46 48 o 0.6168000      1.648000      ?             ?      
1 1 1 1  46 49 o 1.490000       1.654000      ?             ?      
1 1 1 1  46 50 o -0.6259000E-01 0.9041000     ?             ?      
1 1 1 1  46 51 o 2.064000       0.9588000     ?             ?      
1 1 1 1  46 52 o 0.7221000      0.9920000     ?             ?      
1 1 1 1  46 53 o -0.3988000     1.018000      ?             ?      
1 1 1 1  46 54 o -0.2273000     1.061000      ?             ?      
1 1 1 1  46 55 o 1.685000       1.032000      ?             ?      
1 1 1 1  46 56 o 1.285000       1.495000      ?             ?      
1 1 1 1  47 0  o 4.213000       1.157000      246.5358      -90.0  
1 1 1 1  47 1  o 0.7673000      0.7956000     200.8956      -53.9  
1 1 1 1  47 2  o -0.1128000     0.8672000     169.4798      18.7   
1 1 1 1  47 3  o 1.142000       1.209000      273.7731      140.7  
1 1 1 1  47 4  o 0.2312000      0.8613000     166.7318      137.1  
1 1 1 1  47 5  o 3.465000       0.8089000     157.1803      109.5  
1 1 1 1  47 6  o 0.6181000      0.7935000     117.1939      -160.1 
1 1 1 1  47 7  o 0.6813000      0.7574000     86.11133      108.7  
1 1 1 1  47 8  o 4.839000       0.7534000     285.2694      178.4  
1 1 1 1  47 9  o 17.01000       0.9700000     606.8097      162.7  
1 1 1 1  47 10 o 1.910000       0.6633000     253.4094      -43.2  
1 1 1 1  47 11 o 2.124000       0.5035000     217.9766      -133.9 
1 1 1 1  47 12 o 0.7999000      1.571000      312.5857      -20.2  
1 1 1 1  47 13 o 1.012000       2.256000      159.0406      -34.0  
1 1 1 1  47 14 o 14.72000       1.703000      393.6739      177.6  
1 1 1 1  47 15 o 3.689000       1.607000      154.4055      148.5  
1 1 1 1  47 16 o -0.2287000     1.634000      67.10468      -121.8 
1 1 1 1  47 17 o 1.669000       1.631000      53.22128      88.5   
1 1 1 1  47 18 o -0.7997000     1.649000      63.11536      149.7  
1 1 1 1  47 19 o 0.9760000      1.674000      118.1568      -72.7  
1 1 1 1  47 20 o -0.9063000     1.709000      109.9106      136.5  
1 1 1 1  47 21 o 6.349000       1.834000      384.0827      12.3   
1 1 1 1  47 22 o 3.811000       1.820000      157.8844      -46.5  
1 1 1 1  47 23 o 5.383000       1.878000      257.2109      26.6   
1 1 1 1  47 24 o 3.894000       1.928000      351.7882      162.8  
1 1 1 1  47 25 o 2.725000       1.947000      204.3966      142.4  
1 1 1 1  47 26 f 0.6162000E-01  1.955000      208.6296      -126.7 
1 1 1 1  47 27 o 2.052000       2.367000      139.8442      46.8   
1 1 1 1  47 28 o -3.466000      4.026000      257.8979      8.4    
1 1 1 1  47 29 o 33.13000       3.590000      687.6502      -157.3 
1 1 1 1  47 30 o 0.8507000      2.026000      138.5457      -19.9  
1 1 1 1  47 31 o -1.189000      1.974000      ?             ?      
1 1 1 1  47 32 o 1.041000       1.989000      ?             ?      
1 1 1 1  47 33 o 1.395000       2.014000      ?             ?      
1 1 1 1  47 34 o 5.929000       2.028000      ?             ?      
1 1 1 1  47 35 o 1.110000       1.974000      ?             ?      
1 1 1 1  47 36 o 4.045000       1.997000      ?             ?      
1 1 1 1  47 37 o -0.3905000     1.948000      ?             ?      
1 1 1 1  47 38 o 2.147000       1.977000      ?             ?      
1 1 1 1  47 39 o 0.5306000      1.962000      ?             ?      
1 1 1 1  47 40 o 0.8585000      2.001000      ?             ?      
1 1 1 1  47 41 o -3.339000      2.003000      ?             ?      
1 1 1 1  47 42 o -0.4270000     2.658000      ?             ?      
1 1 1 1  47 43 o -0.3512000     1.184000      ?             ?      
1 1 1 1  47 44 o 0.2786000      0.5844000     ?             ?      
1 1 1 1  47 45 o 0.3502000      0.5877000     ?             ?      
1 1 1 1  47 46 o -0.2062000     0.6463000     ?             ?      
1 1 1 1  47 47 o 0.3120000      0.7213000     ?             ?      
1 1 1 1  47 48 o -0.1340000     0.7800000     ?             ?      
1 1 1 1  47 49 o 0.9399000E-01  1.631000      ?             ?      
1 1 1 1  47 50 o 0.2338000      1.699000      ?             ?      
1 1 1 1  47 51 o -0.5926000     1.079000      ?             ?      
1 1 1 1  47 52 o 0.6561000      0.9589000     ?             ?      
1 1 1 1  47 53 o -0.6518000E-01 1.005000      ?             ?      
1 1 1 1  47 54 o -0.3485000     1.043000      ?             ?      
1 1 1 1  47 55 o 1.374000       1.081000      ?             ?      
1 1 1 1  48 0  o 34.20000       1.655000      780.2375      90.0   
1 1 1 1  48 1  o 2.603000       0.8307000     73.31598      97.0   
1 1 1 1  48 2  o 3.490000       0.9098000     213.2241      171.4  
1 1 1 1  48 3  o 10.82000       1.308000      400.9270      -115.0 
1 1 1 1  48 4  o -0.3670000     0.9319000     124.3066      124.3  
1 1 1 1  48 5  o 1.429000       0.8219000     117.4088      177.4  
1 1 1 1  48 6  o 15.62000       1.088000      575.9982      -89.2  
1 1 1 1  48 7  o 1.503000       0.9451000     195.9043      -100.3 
1 1 1 1  48 8  o 11.08000       0.8458000     560.4114      102.0  
1 1 1 1  48 9  o 1.238000       0.8762000     166.5274      53.1   
1 1 1 1  48 10 o 0.1196000      0.7612000     98.90549      81.8   
1 1 1 1  48 11 o 1.954000       1.451000      62.59101      -174.9 
1 1 1 1  48 12 o -0.4051000     0.6835000     93.81387      -57.2  
1 1 1 1  48 13 o 6.186000       2.370000      262.4959      143.9  
1 1 1 1  48 14 o 5.453000       1.680000      394.9348      -57.4  
1 1 1 1  48 15 o 17.73000       1.822000      626.4935      -80.9  
1 1 1 1  48 16 o 25.09000       1.983000      552.3120      79.6   
1 1 1 1  48 17 o 3.536000       1.734000      218.7473      89.5   
1 1 1 1  48 18 o 5.704000       2.465000      361.3850      22.7   
1 1 1 1  48 19 o 1.729000       1.747000      243.3208      73.0   
1 1 1 1  48 20 o 11.06000       1.874000      494.3393      104.8  
1 1 1 1  48 21 o 5.320000       1.859000      329.6094      -89.1  
1 1 1 1  48 22 o 4.018000       1.879000      268.2641      66.1   
1 1 1 1  48 23 o 5.688000       1.934000      325.3909      -144.9 
1 1 1 1  48 24 o 8.043000       2.025000      370.3000      -79.6  
1 1 1 1  48 25 f 19.34000       2.167000      452.9174      -67.6  
1 1 1 1  48 26 f 2.499000       2.004000      417.5109      134.0  
1 1 1 1  48 27 o 9.561000       2.854000      328.1176      -116.1 
1 1 1 1  48 28 o 3.949000       4.444000      236.2415      -29.1  
1 1 1 1  48 29 o -3.511000      2.517000      ?             ?      
1 1 1 1  48 30 o 11.59000       2.063000      ?             ?      
1 1 1 1  48 31 o -0.4037000E-01 1.974000      ?             ?      
1 1 1 1  48 32 o 19.22000       2.205000      ?             ?      
1 1 1 1  48 33 o 2.114000       2.864000      ?             ?      
1 1 1 1  48 34 o -0.7883000     1.970000      ?             ?      
1 1 1 1  48 35 o 2.771000       1.998000      ?             ?      
1 1 1 1  48 36 o 2.527000       1.958000      ?             ?      
1 1 1 1  48 37 o -2.003000      1.942000      ?             ?      
1 1 1 1  48 38 o 4.492000       1.974000      ?             ?      
1 1 1 1  48 39 o 2.967000       1.989000      ?             ?      
1 1 1 1  48 40 o -0.8902000     1.963000      ?             ?      
1 1 1 1  48 41 o -1.871000      2.005000      ?             ?      
1 1 1 1  48 42 o 7.949000       2.814000      ?             ?      
1 1 1 1  48 43 o -2.715000      4.394000      ?             ?      
1 1 1 1  48 44 o 2.245000       2.057000      ?             ?      
1 1 1 1  48 45 o 3.880000       0.7145000     ?             ?      
1 1 1 1  48 46 o 1.793000       0.7104000     ?             ?      
1 1 1 1  48 47 o 1.461000       0.6282000     ?             ?      
1 1 1 1  48 48 o 2.914000       0.7077000     ?             ?      
1 1 1 1  48 49 o 0.4777000      0.7768000     ?             ?      
1 1 1 1  48 50 o -2.025000      1.038000      ?             ?      
1 1 1 1  48 51 o -6.020000      3.913000      ?             ?      
1 1 1 1  48 52 o -0.1442000     1.081000      ?             ?      
1 1 1 1  48 53 o 0.9782000      0.9724000     ?             ?      
1 1 1 1  48 54 o 0.9151000      1.029000      ?             ?      
1 1 1 1  49 0  o -2.468000      1.185000      60.15343      -90.0  
1 1 1 1  49 1  o -1.130000      0.8338000     50.11016      35.4   
1 1 1 1  49 2  o 0.9530000      0.8365000     169.1583      -43.4  
1 1 1 1  49 3  o 4.109000       1.286000      420.5187      -8.5   
1 1 1 1  49 4  o 7.931000       1.194000      325.2552      14.9   
1 1 1 1  49 5  o 0.5743000E-01  0.8413000     163.8871      75.8   
1 1 1 1  49 6  o 12.75000       1.148000      536.2861      -174.3 
1 1 1 1  49 7  o 5.667000       1.100000      319.6943      -19.7  
1 1 1 1  49 8  o 0.1523000      0.7762000     96.60316      -79.9  
1 1 1 1  49 9  o 11.47000       0.7537000     468.8297      -156.3 
1 1 1 1  49 10 o 0.8948000      0.5808000     103.9423      126.1  
1 1 1 1  49 11 o 6.126000       0.5332000     380.1116      -165.4 
1 1 1 1  49 12 o 3.588000       3.359000      266.3743      -130.3 
1 1 1 1  49 13 o 8.801000       1.729000      280.8109      19.3   
1 1 1 1  49 14 o 6.532000       1.722000      364.9433      -147.4 
1 1 1 1  49 15 o 1.199000       1.728000      285.3143      66.3   
1 1 1 1  49 16 o 6.647000       1.792000      449.5993      155.9  
1 1 1 1  49 17 o 5.272000       2.509000      239.4367      124.8  
1 1 1 1  49 18 o 7.981000       1.811000      207.5177      -147.2 
1 1 1 1  49 19 o 1.164000       1.771000      179.5838      -143.9 
1 1 1 1  49 20 o 1.447000       1.820000      202.5313      -139.0 
1 1 1 1  49 21 o -0.9574000E-01 1.858000      199.8741      -167.5 
1 1 1 1  49 22 o 5.401000       1.917000      295.6315      -15.3  
1 1 1 1  49 23 o 8.185000       1.994000      402.4297      152.0  
1 1 1 1  49 24 o 8.241000       2.019000      453.2625      -21.2  
1 1 1 1  49 25 o 8.244000       2.032000      329.5722      -26.7  
1 1 1 1  49 26 o 4.366000       2.403000      289.0456      8.9    
1 1 1 1  49 28 o 2.197000       2.885000      ?             ?      
1 1 1 1  49 29 o 2.298000       1.981000      ?             ?      
1 1 1 1  49 30 o -2.976000      1.947000      ?             ?      
1 1 1 1  49 31 o 3.876000       1.979000      ?             ?      
1 1 1 1  49 32 o 0.7476000      1.986000      ?             ?      
1 1 1 1  49 33 o 0.9404000      1.985000      ?             ?      
1 1 1 1  49 34 o 1.727000       1.957000      ?             ?      
1 1 1 1  49 35 o 2.113000       1.952000      ?             ?      
1 1 1 1  49 36 o -2.565000      1.921000      ?             ?      
1 1 1 1  49 37 o 1.741000       1.957000      ?             ?      
1 1 1 1  49 38 o 6.583000       2.052000      ?             ?      
1 1 1 1  49 39 o 3.647000       1.987000      ?             ?      
1 1 1 1  49 40 f 3.201000       2.018000      ?             ?      
1 1 1 1  49 41 o 4.372000       2.744000      ?             ?      
1 1 1 1  49 43 o -2.927000      3.022000      ?             ?      
1 1 1 1  49 44 o -0.8420000     2.001000      ?             ?      
1 1 1 1  49 45 o -0.1003000     2.014000      ?             ?      
1 1 1 1  49 46 o 4.130000       2.105000      ?             ?      
1 1 1 1  49 47 o 1.238000       0.7471000     ?             ?      
1 1 1 1  49 48 o 0.2374000      0.6146000     ?             ?      
1 1 1 1  49 49 o -0.1941000     0.6663000     ?             ?      
1 1 1 1  49 50 o 0.7920000      0.7394000     ?             ?      
1 1 1 1  49 51 o -0.5405000     0.9743000     ?             ?      
1 1 1 1  49 52 o 1.736000       4.078000      ?             ?      
1 1 1 1  50 0  o 16.94000       1.955000      786.3557      90.0   
1 1 1 1  50 1  o -1.016000      1.046000      273.2572      12.9   
1 1 1 1  50 2  o 0.1973000      0.8831000     149.2421      -158.6 
1 1 1 1  50 3  o -0.3871000     1.056000      121.6612      -174.0 
1 1 1 1  50 4  o 0.6142000      1.347000      181.9858      122.8  
1 1 1 1  50 5  o 2.338000       0.8706000     273.4341      -99.3  
1 1 1 1  50 6  o -0.3038000     0.8331000     72.26168      -34.6  
1 1 1 1  50 7  o 1.190000       0.8161000     164.6692      48.6   
1 1 1 1  50 8  o -0.5449000     0.7507000     53.66623      143.0  
1 1 1 1  50 9  o 2.863000       0.6831000     255.5575      -86.9  
1 1 1 1  50 10 o 9.734000       0.7151000     412.3263      -82.3  
1 1 1 1  50 11 o 1.709000       0.4951000     164.0228      105.4  
1 1 1 1  50 12 o 8.682000       2.506000      348.2293      72.8   
1 1 1 1  50 13 o 2.573000       1.662000      267.0439      -130.8 
1 1 1 1  50 14 o 0.8788000      1.688000      156.1990      -153.1 
1 1 1 1  50 15 o -0.6944000     1.735000      140.1887      -120.5 
1 1 1 1  50 16 o 21.02000       1.984000      828.9314      109.3  
1 1 1 1  50 17 o 0.1532000      1.786000      272.6520      -2.6   
1 1 1 1  50 18 o 10.81000       1.890000      544.2883      -82.0  
1 1 1 1  50 19 o 1.811000       1.818000      139.1039      -12.1  
1 1 1 1  50 20 o 4.318000       1.862000      266.2964      112.8  
1 1 1 1  50 21 o -1.208000      1.831000      205.1510      -116.6 
1 1 1 1  50 22 o 8.105000       1.913000      376.4805      54.0   
1 1 1 1  50 23 o 1.656000       1.892000      204.7573      -45.3  
1 1 1 1  50 24 o 6.472000       2.758000      ?             ?      
1 1 1 1  50 25 o 0.7425000      1.911000      ?             ?      
1 1 1 1  50 26 o 0.7650000      2.665000      ?             ?      
1 1 1 1  50 27 o -3.654000      4.205000      ?             ?      
1 1 1 1  50 28 o 2.717000       2.882000      ?             ?      
1 1 1 1  50 29 o 3.770000       1.941000      ?             ?      
1 1 1 1  50 30 o 3.306000       1.981000      ?             ?      
1 1 1 1  50 31 o 18.34000       2.196000      ?             ?      
1 1 1 1  50 32 o 7.766000       2.045000      ?             ?      
1 1 1 1  50 33 o 6.158000       2.006000      ?             ?      
1 1 1 1  50 34 o 6.345000       1.982000      ?             ?      
1 1 1 1  50 35 o 3.129000       1.962000      ?             ?      
1 1 1 1  50 36 o 5.127000       2.006000      ?             ?      
1 1 1 1  50 37 o -0.6649000     1.948000      ?             ?      
1 1 1 1  50 38 o -0.7550000     1.953000      ?             ?      
1 1 1 1  50 39 o 1.278000       1.980000      ?             ?      
1 1 1 1  50 40 o -1.372000      1.993000      ?             ?      
1 1 1 1  50 41 o -0.5956000     2.677000      ?             ?      
1 1 1 1  50 42 f 0.5790000      3.081000      ?             ?      
1 1 1 1  50 43 o 0.6728000      2.029000      ?             ?      
1 1 1 1  50 44 o -0.6084000     2.027000      ?             ?      
1 1 1 1  50 45 o -0.1282000     2.049000      ?             ?      
1 1 1 1  50 46 o -2.949000      2.460000      ?             ?      
1 1 1 1  50 47 o 5.948000       2.910000      ?             ?      
1 1 1 1  50 48 o -0.3502000     0.8689000     ?             ?      
1 1 1 1  50 49 o 1.513000       0.6256000     ?             ?      
1 1 1 1  50 50 o 1.086000       0.6457000     ?             ?      
1 1 1 1  50 51 o 0.8763000      0.6972000     ?             ?      
1 1 1 1  51 0  o 0.9898000      1.948000      219.8876      90.0   
1 1 1 1  51 1  o 8.817000       1.088000      502.5892      -156.3 
1 1 1 1  51 2  o 3.642000       1.017000      293.3157      0.5    
1 1 1 1  51 3  o 2.601000       1.176000      345.5391      -34.9  
1 1 1 1  51 4  o -2.797000      1.886000      27.74523      133.6  
1 1 1 1  51 5  o 2.117000       0.9892000     296.9226      16.1   
1 1 1 1  51 6  o 1.803000       0.8613000     399.6201      -46.3  
1 1 1 1  51 7  o 2.573000       0.8357000     271.8206      -52.4  
1 1 1 1  51 8  o 7.331000       0.8101000     428.1731      -163.3 
1 1 1 1  51 9  o 0.1121000      0.6734000     12.69315      33.6   
1 1 1 1  51 10 o 0.2710000      0.5696000     137.8398      126.5  
1 1 1 1  51 11 o 1.059000       0.6586000     256.7781      -81.8  
1 1 1 1  51 12 o 11.58000       1.767000      548.4443      -174.2 
1 1 1 1  51 13 o 4.808000       1.698000      288.8124      -29.4  
1 1 1 1  51 14 o -0.9871000     1.677000      261.7663      -114.3 
1 1 1 1  51 15 o -2.975000      1.733000      99.76641      141.9  
1 1 1 1  51 16 o 3.245000       1.803000      267.7594      142.3  
1 1 1 1  51 17 o 24.93000       2.110000      753.9340      -12.7  
1 1 1 1  51 18 o 11.46000       1.942000      429.8367      165.6  
1 1 1 1  51 19 o 0.8010000      1.842000      172.6676      -114.4 
1 1 1 1  51 20 o 5.701000       1.887000      378.2128      -8.0   
1 1 1 1  51 21 o 18.24000       2.056000      ?             ?      
1 1 1 1  51 22 o 1.685000       1.870000      ?             ?      
1 1 1 1  51 23 o 1.899000       2.672000      ?             ?      
1 1 1 1  51 24 o -0.1916000     2.532000      ?             ?      
1 1 1 1  51 25 o -1.323000      2.457000      ?             ?      
1 1 1 1  51 27 o 3.724000       2.813000      ?             ?      
1 1 1 1  51 28 o 7.407000       1.958000      ?             ?      
1 1 1 1  51 29 o 2.844000       1.930000      ?             ?      
1 1 1 1  51 30 o 1.577000       1.955000      ?             ?      
1 1 1 1  51 31 o 3.916000       1.958000      ?             ?      
1 1 1 1  51 32 o 3.291000       1.952000      ?             ?      
1 1 1 1  51 33 o 5.878000       1.995000      ?             ?      
1 1 1 1  51 34 o 6.492000       2.003000      ?             ?      
1 1 1 1  51 35 o 0.9904000      1.944000      ?             ?      
1 1 1 1  51 36 o 4.784000       1.977000      ?             ?      
1 1 1 1  51 37 o 3.876000       1.968000      ?             ?      
1 1 1 1  51 38 o -2.050000      1.946000      ?             ?      
1 1 1 1  51 39 o -1.076000      1.965000      ?             ?      
1 1 1 1  51 40 o 10.33000       2.814000      ?             ?      
1 1 1 1  51 42 o 1.549000       3.017000      ?             ?      
1 1 1 1  51 43 o 2.329000       2.044000      ?             ?      
1 1 1 1  51 44 o 0.5109000      2.067000      ?             ?      
1 1 1 1  51 45 o -1.991000      2.779000      ?             ?      
1 1 1 1  51 46 o 2.841000       2.777000      ?             ?      
1 1 1 1  51 47 o -2.953000      3.834000      ?             ?      
1 1 1 1  51 48 o 3.350000       2.835000      ?             ?      
1 1 1 1  51 49 o 1.719000       2.786000      ?             ?      
1 1 1 1  51 50 o 0.5965000      0.7507000     ?             ?      
1 1 1 1  52 0  o 2.344000       1.322000      285.4088      -90.0  
1 1 1 1  52 1  o -0.4651000     0.9449000     138.2472      31.9   
1 1 1 1  52 2  o 3.588000       1.028000      202.5756      -134.2 
1 1 1 1  52 3  o 35.18000       1.670000      791.5478      104.4  
1 1 1 1  52 4  o -3.384000      1.895000      84.48281      86.4   
1 1 1 1  52 5  o 8.896000       1.055000      514.6699      66.6   
1 1 1 1  52 6  o 1.199000       0.9580000     214.2475      26.2   
1 1 1 1  52 7  o 2.230000       0.9105000     209.2969      53.2   
1 1 1 1  52 8  o 7.519000       0.8698000     476.3746      -103.7 
1 1 1 1  52 9  o 2.503000       0.7036000     242.4238      -112.0 
1 1 1 1  52 10 o 1.595000       0.5753000     248.2518      -114.7 
1 1 1 1  52 11 o 5.745000       0.5346000     249.8919      -42.7  
1 1 1 1  52 12 o 2.866000       1.695000      149.7877      60.1   
1 1 1 1  52 13 o -2.078000      1.684000      144.1040      130.9  
1 1 1 1  52 14 o 2.365000       1.710000      70.87238      23.9   
1 1 1 1  52 15 o 1.847000       1.733000      156.7711      80.6   
1 1 1 1  52 16 o 1.504000       1.776000      277.3610      120.1  
1 1 1 1  52 17 o 20.06000       2.008000      717.2587      -92.9  
1 1 1 1  52 18 o 14.42000       1.929000      ?             ?      
1 1 1 1  52 19 o 6.375000       1.827000      ?             ?      
1 1 1 1  52 20 o 2.391000       1.848000      ?             ?      
1 1 1 1  52 21 o 13.82000       1.959000      ?             ?      
1 1 1 1  52 22 o 3.488000       1.828000      ?             ?      
1 1 1 1  52 23 o 2.399000       1.791000      ?             ?      
1 1 1 1  52 24 o -1.820000      1.771000      ?             ?      
1 1 1 1  52 25 o -2.528000      2.386000      ?             ?      
1 1 1 1  52 26 o -3.064000      4.082000      ?             ?      
1 1 1 1  52 27 o -0.2369000     1.889000      ?             ?      
1 1 1 1  52 28 o -1.400000      1.854000      ?             ?      
1 1 1 1  52 29 o 2.208000       1.886000      ?             ?      
1 1 1 1  52 30 o 0.8112000      1.884000      ?             ?      
1 1 1 1  52 31 o -1.548000      1.913000      ?             ?      
1 1 1 1  52 32 o 2.760000       1.937000      ?             ?      
1 1 1 1  52 33 o 8.181000       2.002000      ?             ?      
1 1 1 1  52 34 o 0.5097000      1.927000      ?             ?      
1 1 1 1  52 35 o -0.6913000     1.940000      ?             ?      
1 1 1 1  52 36 o -0.2313000     1.956000      ?             ?      
1 1 1 1  52 37 o 3.249000       2.016000      ?             ?      
1 1 1 1  52 38 o 2.191000       1.980000      ?             ?      
1 1 1 1  52 39 o 0.4399000      1.992000      ?             ?      
1 1 1 1  52 40 o 1.508000       2.736000      ?             ?      
1 1 1 1  52 41 o -6.037000      2.963000      ?             ?      
1 1 1 1  52 42 o -1.075000      2.024000      ?             ?      
1 1 1 1  52 43 o -0.9600000     2.743000      ?             ?      
1 1 1 1  52 44 o -0.3410000     2.759000      ?             ?      
1 1 1 1  52 45 o 2.162000       2.765000      ?             ?      
1 1 1 1  52 46 o 3.561000       2.823000      ?             ?      
1 1 1 1  52 47 o -0.7150000     2.740000      ?             ?      
1 1 1 1  52 48 o 0.3232000      2.861000      ?             ?      
1 1 1 1  52 49 o 2.543000       2.932000      ?             ?      
1 1 1 1  53 0  o -1.837000      1.309000      65.01275      90.0   
1 1 1 1  53 1  o 6.964000       0.9638000     488.7684      173.1  
1 1 1 1  53 2  o 10.93000       0.9901000     452.9345      -149.2 
1 1 1 1  53 3  o 1.359000       0.9520000     243.3290      -155.9 
1 1 1 1  53 4  o -0.7254000     1.293000      48.32190      -23.9  
1 1 1 1  53 5  o -0.3902000     1.092000      166.0379      127.3  
1 1 1 1  53 6  o 1.766000       0.9849000     128.0065      -119.3 
1 1 1 1  53 7  o 2.735000       0.9417000     293.3495      -168.0 
1 1 1 1  53 8  o 14.69000       0.9365000     585.2724      -155.1 
1 1 1 1  53 9  o 8.990000       0.8201000     431.5517      -18.4  
1 1 1 1  53 10 o 0.8903000      0.5803000     152.2478      0.2    
1 1 1 1  53 11 o 7.661000       1.429000      420.6945      -179.5 
1 1 1 1  53 12 o 2.870000       1.668000      275.2882      154.6  
1 1 1 1  53 13 o 16.48000       1.840000      ?             ?      
1 1 1 1  53 14 o 4.896000       1.715000      ?             ?      
1 1 1 1  53 15 o 1.463000       1.704000      ?             ?      
1 1 1 1  53 16 o -1.194000      1.691000      ?             ?      
1 1 1 1  53 17 o 3.553000       1.715000      ?             ?      
1 1 1 1  53 18 o 1.207000       1.735000      ?             ?      
1 1 1 1  53 19 o 0.7554000      1.759000      ?             ?      
1 1 1 1  53 20 o 0.1528000      1.771000      ?             ?      
1 1 1 1  53 21 o 1.825000       1.775000      ?             ?      
1 1 1 1  53 22 o 3.905000       1.790000      ?             ?      
1 1 1 1  53 23 o -0.1264000     1.753000      ?             ?      
1 1 1 1  53 24 o 0.6061000      2.389000      ?             ?      
1 1 1 1  53 26 o 2.603000       2.743000      ?             ?      
1 1 1 1  53 27 o 1.514000       1.812000      ?             ?      
1 1 1 1  53 28 o 0.6405000E-01  1.834000      ?             ?      
1 1 1 1  53 29 o 1.634000       1.848000      ?             ?      
1 1 1 1  53 30 o 4.745000       1.923000      ?             ?      
1 1 1 1  53 31 o 3.777000       1.917000      ?             ?      
1 1 1 1  53 32 o -0.5251000E-01 1.935000      ?             ?      
1 1 1 1  53 33 o 1.037000       1.909000      ?             ?      
1 1 1 1  53 34 o 0.8053000      1.884000      ?             ?      
1 1 1 1  53 35 o 0.6509000      1.947000      ?             ?      
1 1 1 1  53 36 o 0.1370000      1.964000      ?             ?      
1 1 1 1  53 37 o -1.524000      1.951000      ?             ?      
1 1 1 1  53 38 o 0.5567000      1.982000      ?             ?      
1 1 1 1  53 39 o 6.513000       2.755000      ?             ?      
1 1 1 1  53 41 o -7.295000      4.233000      ?             ?      
1 1 1 1  53 42 o -0.3903000     2.705000      ?             ?      
1 1 1 1  53 43 o 2.797000       2.787000      ?             ?      
1 1 1 1  53 44 o 1.165000       2.789000      ?             ?      
1 1 1 1  53 45 o 0.2711000      2.769000      ?             ?      
1 1 1 1  53 46 o -1.826000      3.871000      ?             ?      
1 1 1 1  53 47 o 1.065000       2.799000      ?             ?      
1 1 1 1  54 0  o 6.366000       1.352000      391.4568      -90.0  
1 1 1 1  54 1  o -1.405000      0.9186000     86.01652      -134.6 
1 1 1 1  54 2  o 4.228000       1.010000      301.4875      -173.6 
1 1 1 1  54 3  f 11.63000       1.002000      541.5038      97.8   
1 1 1 1  54 4  o -1.429000      1.288000      125.2524      152.7  
1 1 1 1  54 5  o 6.227000       1.324000      ?             ?      
1 1 1 1  54 6  o 1.262000       0.8676000     ?             ?      
1 1 1 1  54 7  o 2.138000       0.8395000     ?             ?      
1 1 1 1  54 8  o 0.3413000      0.7955000     ?             ?      
1 1 1 1  54 9  o 1.292000       0.8463000     ?             ?      
1 1 1 1  54 10 o 0.6219000      0.5629000     ?             ?      
1 1 1 1  54 11 o 3.038000       1.826000      ?             ?      
1 1 1 1  54 12 o -2.022000      1.656000      ?             ?      
1 1 1 1  54 13 o -1.494000      2.205000      ?             ?      
1 1 1 1  54 14 o -0.7040000     2.260000      ?             ?      
1 1 1 1  54 15 o 8.900000       2.369000      ?             ?      
1 1 1 1  54 16 o -1.302000      1.664000      ?             ?      
1 1 1 1  54 17 o -0.9461000     1.649000      ?             ?      
1 1 1 1  54 18 o 1.740000       1.697000      ?             ?      
1 1 1 1  54 19 o 3.127000       1.746000      ?             ?      
1 1 1 1  54 20 o 0.3889000      1.750000      ?             ?      
1 1 1 1  54 21 o 10.46000       1.882000      ?             ?      
1 1 1 1  54 22 o -1.098000      1.775000      ?             ?      
1 1 1 1  54 23 o 2.064000       1.777000      ?             ?      
1 1 1 1  54 24 o 2.462000       2.393000      ?             ?      
1 1 1 1  54 25 o -4.682000      4.008000      ?             ?      
1 1 1 1  54 26 o -1.331000      1.812000      ?             ?      
1 1 1 1  54 27 o -0.8988000E-01 1.819000      ?             ?      
1 1 1 1  54 28 o -2.446000      1.801000      ?             ?      
1 1 1 1  54 29 o -1.136000      1.841000      ?             ?      
1 1 1 1  54 30 o -0.7139000     1.840000      ?             ?      
1 1 1 1  54 31 o -1.087000      1.854000      ?             ?      
1 1 1 1  54 32 o -0.2906000     1.853000      ?             ?      
1 1 1 1  54 33 o 0.1371000      1.875000      ?             ?      
1 1 1 1  54 34 o 5.759000       1.968000      ?             ?      
1 1 1 1  54 35 o -3.212000      1.928000      ?             ?      
1 1 1 1  54 36 o -1.817000      1.960000      ?             ?      
1 1 1 1  54 37 o 2.116000       1.980000      ?             ?      
1 1 1 1  54 38 o 2.095000       2.641000      ?             ?      
1 1 1 1  54 39 o -2.200000      2.763000      ?             ?      
1 1 1 1  54 41 o 2.688000       2.811000      ?             ?      
1 1 1 1  54 42 o -0.7512000     2.811000      ?             ?      
1 1 1 1  54 43 o -0.7945000     2.816000      ?             ?      
1 1 1 1  54 44 o 4.566000       2.943000      ?             ?      
1 1 1 1  54 45 o -2.884000      3.976000      ?             ?      
1 1 1 1  54 46 o 0.7738000      2.821000      ?             ?      
1 1 1 1  55 0  o 0.7068000      1.294000      ?             ?      
1 1 1 1  55 1  o 2.774000       0.9062000     ?             ?      
1 1 1 1  55 2  o 9.989000       0.9684000     ?             ?      
1 1 1 1  55 3  o 5.771000       0.9423000     ?             ?      
1 1 1 1  55 4  o 20.93000       1.527000      ?             ?      
1 1 1 1  55 5  o 2.642000       1.292000      ?             ?      
1 1 1 1  55 6  o 1.446000       0.8502000     ?             ?      
1 1 1 1  55 7  o 16.24000       1.033000      ?             ?      
1 1 1 1  55 8  o 15.18000       0.9199000     ?             ?      
1 1 1 1  55 9  o 0.2846000      0.8244000     ?             ?      
1 1 1 1  55 10 o 1.354000       0.5339000     ?             ?      
1 1 1 1  55 11 o -1.074000      1.578000      ?             ?      
1 1 1 1  55 12 o -1.189000      1.644000      ?             ?      
1 1 1 1  55 13 o 4.747000       2.409000      ?             ?      
1 1 1 1  55 14 o -1.394000      2.430000      ?             ?      
1 1 1 1  55 15 o -1.214000      1.678000      ?             ?      
1 1 1 1  55 16 o -0.3716000     1.960000      ?             ?      
1 1 1 1  55 17 o -0.3787000     2.178000      ?             ?      
1 1 1 1  55 18 o -0.5896000     2.167000      ?             ?      
1 1 1 1  55 19 o -0.4085000     1.987000      ?             ?      
1 1 1 1  55 20 o 0.4451000      1.716000      ?             ?      
1 1 1 1  55 21 o -1.781000      1.732000      ?             ?      
1 1 1 1  55 22 o 0.3408000      1.757000      ?             ?      
1 1 1 1  55 23 o -2.976000      2.312000      ?             ?      
1 1 1 1  55 25 o 7.547000       2.962000      ?             ?      
1 1 1 1  55 26 o 3.219000       1.839000      ?             ?      
1 1 1 1  55 27 o 0.9478000E-01  1.826000      ?             ?      
1 1 1 1  55 28 o 1.591000       1.837000      ?             ?      
1 1 1 1  55 29 o -0.5711000E-01 1.830000      ?             ?      
1 1 1 1  55 30 f -0.3060000     2.456000      ?             ?      
1 1 1 1  55 31 o 4.535000       1.855000      ?             ?      
1 1 1 1  55 32 o 6.249000       1.915000      ?             ?      
1 1 1 1  55 33 o 1.578000       1.884000      ?             ?      
1 1 1 1  55 34 o 0.6204000      1.914000      ?             ?      
1 1 1 1  55 35 o 0.6432000      1.922000      ?             ?      
1 1 1 1  55 36 o 1.846000       1.977000      ?             ?      
1 1 1 1  55 37 o 6.181000       2.448000      ?             ?      
1 1 1 1  55 38 o 2.347000       2.707000      ?             ?      
1 1 1 1  55 40 o 1.230000       4.032000      ?             ?      
1 1 1 1  55 41 o -2.345000      2.808000      ?             ?      
1 1 1 1  55 43 o 1.758000       2.805000      ?             ?      
1 1 1 1  55 44 o 7.172000       4.106000      ?             ?      
1 1 1 1  56 0  o 4.356000       1.284000      ?             ?      
1 1 1 1  56 1  o 1.498000       0.8933000     ?             ?      
1 1 1 1  56 2  o 1.251000       0.9023000     ?             ?      
1 1 1 1  56 3  o 5.858000       0.9207000     ?             ?      
1 1 1 1  56 4  o 7.475000       1.058000      ?             ?      
1 1 1 1  56 5  o -0.1711000     1.235000      ?             ?      
1 1 1 1  56 6  o 5.202000       0.8648000     ?             ?      
1 1 1 1  56 7  o 9.037000       0.8620000     ?             ?      
1 1 1 1  56 8  o 1.683000       0.7982000     ?             ?      
1 1 1 1  56 9  o 1.545000       0.7200000     ?             ?      
1 1 1 1  56 10 o 11.51000       0.6192000     ?             ?      
1 1 1 1  56 11 o 3.361000       1.597000      ?             ?      
1 1 1 1  56 12 o 0.8875000      1.598000      ?             ?      
1 1 1 1  56 13 o 1.079000       1.614000      ?             ?      
1 1 1 1  56 14 o 15.67000       1.820000      ?             ?      
1 1 1 1  56 15 o 8.310000       1.725000      ?             ?      
1 1 1 1  56 16 o -0.1136000     2.097000      ?             ?      
1 1 1 1  56 17 o -2.226000      2.471000      ?             ?      
1 1 1 1  56 18 o -1.588000      2.534000      ?             ?      
1 1 1 1  56 19 o 4.431000       1.734000      ?             ?      
1 1 1 1  56 20 o 1.836000       1.967000      ?             ?      
1 1 1 1  56 21 o 0.1053000      2.212000      ?             ?      
1 1 1 1  56 22 o 1.255000       2.322000      ?             ?      
1 1 1 1  56 23 o -1.145000      2.319000      ?             ?      
1 1 1 1  56 25 o 2.605000       1.859000      ?             ?      
1 1 1 1  56 26 o -0.1900000E-01 1.851000      ?             ?      
1 1 1 1  56 27 o -0.2970000     1.820000      ?             ?      
1 1 1 1  56 28 o 4.480000       1.864000      ?             ?      
1 1 1 1  56 29 o 3.735000       1.878000      ?             ?      
1 1 1 1  56 30 o 1.580000       1.878000      ?             ?      
1 1 1 1  56 31 o -0.1570000     1.860000      ?             ?      
1 1 1 1  56 32 o 5.990000       1.927000      ?             ?      
1 1 1 1  56 33 o 3.151000       1.901000      ?             ?      
1 1 1 1  56 34 o -0.7475000E-01 1.887000      ?             ?      
1 1 1 1  56 35 o -1.755000      2.248000      ?             ?      
1 1 1 1  56 36 o -1.492000      2.580000      ?             ?      
1 1 1 1  56 37 o -0.7674000     2.555000      ?             ?      
1 1 1 1  56 38 o -0.6291000     4.060000      ?             ?      
1 1 1 1  56 40 o 0.7798000      4.020000      ?             ?      
1 1 1 1  56 41 o 0.6655000      3.810000      ?             ?      
1 1 1 1  56 42 o -5.775000      2.828000      ?             ?      
1 1 1 1  57 0  o -0.8791000     1.209000      ?             ?      
1 1 1 1  57 1  o -0.6061000     0.8689000     ?             ?      
1 1 1 1  57 2  o 3.289000       0.8954000     ?             ?      
1 1 1 1  57 3  o 1.083000       0.8743000     ?             ?      
1 1 1 1  57 4  o 1.498000       0.9851000     ?             ?      
1 1 1 1  57 5  o 8.689000       1.522000      ?             ?      
1 1 1 1  57 6  o 2.295000       0.9219000     ?             ?      
1 1 1 1  57 7  o 4.610000       0.8101000     ?             ?      
1 1 1 1  57 8  o 1.998000       0.8582000     ?             ?      
1 1 1 1  57 9  o 1.629000       0.6244000     ?             ?      
1 1 1 1  57 10 o 0.3931000      0.6929000     ?             ?      
1 1 1 1  57 11 o -0.5323000     1.536000      ?             ?      
1 1 1 1  57 12 o 1.202000       1.551000      ?             ?      
1 1 1 1  57 13 o 3.401000       1.607000      ?             ?      
1 1 1 1  57 14 o 1.312000       1.611000      ?             ?      
1 1 1 1  57 15 o 0.9541000      1.594000      ?             ?      
1 1 1 1  57 16 o -0.3154000E-02 1.582000      ?             ?      
1 1 1 1  57 17 o -1.990000      1.604000      ?             ?      
1 1 1 1  57 18 o 3.448000       1.678000      ?             ?      
1 1 1 1  57 19 o 4.453000       1.758000      ?             ?      
1 1 1 1  57 20 o 0.7441000      2.215000      ?             ?      
1 1 1 1  57 21 o -1.363000      2.619000      ?             ?      
1 1 1 1  57 22 o -1.638000      3.869000      ?             ?      
1 1 1 1  57 25 o 3.493000       2.352000      ?             ?      
1 1 1 1  57 26 o 1.525000       2.413000      ?             ?      
1 1 1 1  57 27 o 0.4024000      2.423000      ?             ?      
1 1 1 1  57 28 o 6.154000       1.986000      ?             ?      
1 1 1 1  57 29 o -1.321000      2.608000      ?             ?      
1 1 1 1  57 30 o 7.153000       1.947000      ?             ?      
1 1 1 1  57 31 o 2.311000       1.896000      ?             ?      
1 1 1 1  57 32 o 1.031000       1.907000      ?             ?      
1 1 1 1  57 33 o 0.3912000      2.510000      ?             ?      
1 1 1 1  57 34 o -0.9010000     2.552000      ?             ?      
1 1 1 1  57 35 o 1.432000       2.554000      ?             ?      
1 1 1 1  57 36 o -3.559000      2.548000      ?             ?      
1 1 1 1  57 37 o 0.1978000      2.614000      ?             ?      
1 1 1 1  57 39 o -2.925000      4.098000      ?             ?      
1 1 1 1  57 40 o -0.5395000     2.732000      ?             ?      
1 1 1 1  57 41 o -0.3905000     2.711000      ?             ?      
1 1 1 1  58 0  o 0.7696000      1.200000      ?             ?      
1 1 1 1  58 1  o -0.2996000E-01 0.8555000     ?             ?      
1 1 1 1  58 2  o 1.589000       0.8582000     ?             ?      
1 1 1 1  58 3  o 0.6346000      0.8519000     ?             ?      
1 1 1 1  58 4  o 2.789000       0.9660000     ?             ?      
1 1 1 1  58 5  o 3.860000       1.450000      ?             ?      
1 1 1 1  58 6  o 2.263000       0.8920000     ?             ?      
1 1 1 1  58 7  o 2.836000       0.8229000     ?             ?      
1 1 1 1  58 8  o 1.833000       0.7562000     ?             ?      
1 1 1 1  58 9  o 1.985000       0.5703000     ?             ?      
1 1 1 1  58 10 o 3.043000       0.5245000     ?             ?      
1 1 1 1  58 11 o 2.652000       1.542000      ?             ?      
1 1 1 1  58 12 o -1.275000      1.528000      ?             ?      
1 1 1 1  58 13 o -0.6613000     1.546000      ?             ?      
1 1 1 1  58 14 o -1.669000      1.552000      ?             ?      
1 1 1 1  58 15 o 1.196000       1.578000      ?             ?      
1 1 1 1  58 16 o 4.124000       1.610000      ?             ?      
1 1 1 1  58 17 o 2.705000       1.622000      ?             ?      
1 1 1 1  58 18 o 2.867000       1.661000      ?             ?      
1 1 1 1  58 19 o 0.9517000      1.692000      ?             ?      
1 1 1 1  58 20 o -0.7351000     1.690000      ?             ?      
1 1 1 1  58 21 o 10.55000       1.818000      ?             ?      
1 1 1 1  58 22 o 4.764000       2.282000      ?             ?      
1 1 1 1  58 24 o 1.164000       2.700000      ?             ?      
1 1 1 1  58 25 o -2.950000      2.752000      ?             ?      
1 1 1 1  58 26 o 2.960000       2.841000      ?             ?      
1 1 1 1  58 27 o 1.834000       1.886000      ?             ?      
1 1 1 1  58 28 f 0.8411000      2.448000      ?             ?      
1 1 1 1  58 29 o 1.495000       2.503000      ?             ?      
1 1 1 1  58 30 o 1.857000       2.479000      ?             ?      
1 1 1 1  58 31 o -0.1715000     2.477000      ?             ?      
1 1 1 1  58 32 o 1.081000       2.588000      ?             ?      
1 1 1 1  58 33 o 1.212000       2.560000      ?             ?      
1 1 1 1  58 34 o 2.360000       2.632000      ?             ?      
1 1 1 1  58 35 o 0.1351000      3.878000      ?             ?      
1 1 1 1  58 36 f -8.068000      2.575000      ?             ?      
1 1 1 1  58 39 o 3.471000       3.961000      ?             ?      
1 1 1 1  59 0  o 0.6757000      1.224000      ?             ?      
1 1 1 1  59 1  o 9.844000       0.9385000     ?             ?      
1 1 1 1  59 2  o -0.3987000     0.8597000     ?             ?      
1 1 1 1  59 3  o 0.7161000      0.8335000     ?             ?      
1 1 1 1  59 4  o 0.6891000      0.8266000     ?             ?      
1 1 1 1  59 5  o 6.897000       1.427000      ?             ?      
1 1 1 1  59 6  o 1.740000       0.8419000     ?             ?      
1 1 1 1  59 7  o -0.3749000     0.7802000     ?             ?      
1 1 1 1  59 8  o -0.3744000     0.8214000     ?             ?      
1 1 1 1  59 9  o 0.2195000E-01  0.5215000     ?             ?      
1 1 1 1  59 10 o -0.8367000E-01 0.4950000     ?             ?      
1 1 1 1  59 11 o 1.249000       1.472000      ?             ?      
1 1 1 1  59 12 o 1.661000       1.517000      ?             ?      
1 1 1 1  59 13 o -1.054000      1.535000      ?             ?      
1 1 1 1  59 14 o 1.537000       1.564000      ?             ?      
1 1 1 1  59 15 o 2.183000       1.591000      ?             ?      
1 1 1 1  59 16 o -0.8375000     1.566000      ?             ?      
1 1 1 1  59 17 o 2.401000       1.648000      ?             ?      
1 1 1 1  59 18 o -2.647000      1.642000      ?             ?      
1 1 1 1  59 19 o 6.131000       1.722000      ?             ?      
1 1 1 1  59 20 o 1.059000       1.692000      ?             ?      
1 1 1 1  59 21 o -0.8679000     1.978000      ?             ?      
1 1 1 1  59 22 o -2.253000      3.232000      ?             ?      
1 1 1 1  59 23 o 2.164000       2.700000      ?             ?      
1 1 1 1  59 24 o 0.8354000      1.753000      ?             ?      
1 1 1 1  59 25 o 1.347000       1.786000      ?             ?      
1 1 1 1  59 26 o 2.094000       1.818000      ?             ?      
1 1 1 1  59 27 o -1.292000      2.084000      ?             ?      
1 1 1 1  59 28 o 3.429000       2.640000      ?             ?      
1 1 1 1  59 29 o 1.155000       4.063000      ?             ?      
1 1 1 1  59 30 o 3.087000       4.140000      ?             ?      
1 1 1 1  59 31 o 1.566000       2.806000      ?             ?      
1 1 1 1  59 32 o -0.8400000     2.603000      ?             ?      
1 1 1 1  59 33 o 0.7420000      2.596000      ?             ?      
1 1 1 1  59 34 o 1.630000       2.611000      ?             ?      
1 1 1 1  59 35 o 2.152000       2.693000      ?             ?      
1 1 1 1  59 36 o -0.4245000     2.710000      ?             ?      
1 1 1 1  60 0  o 3.446000       1.263000      ?             ?      
1 1 1 1  60 1  o -1.380000      0.8510000     ?             ?      
1 1 1 1  60 2  o 2.438000       0.8610000     ?             ?      
1 1 1 1  60 3  o -0.2286000     0.8247000     ?             ?      
1 1 1 1  60 4  o -1.120000      0.7991000     ?             ?      
1 1 1 1  60 5  o 0.6069000      1.336000      ?             ?      
1 1 1 1  60 6  o 1.726000       0.8226000     ?             ?      
1 1 1 1  60 7  o -0.6773000     0.7901000     ?             ?      
1 1 1 1  60 8  o 0.5082000      0.7721000     ?             ?      
1 1 1 1  60 9  o 0.7056000      0.5105000     ?             ?      
1 1 1 1  60 10 o -0.3421000     0.4432000     ?             ?      
1 1 1 1  60 11 o -1.767000      1.457000      ?             ?      
1 1 1 1  60 12 o -1.510000      1.491000      ?             ?      
1 1 1 1  60 13 o 1.631000       1.537000      ?             ?      
1 1 1 1  60 14 o -0.4674000E-01 1.534000      ?             ?      
1 1 1 1  60 15 o 1.967000       1.571000      ?             ?      
1 1 1 1  60 16 o 2.295000       1.615000      ?             ?      
1 1 1 1  60 17 o 3.241000       1.658000      ?             ?      
1 1 1 1  60 18 o 2.529000       1.684000      ?             ?      
1 1 1 1  60 19 o 0.9746000      1.688000      ?             ?      
1 1 1 1  60 20 o 1.522000       1.666000      ?             ?      
1 1 1 1  60 21 o 1.070000       2.223000      ?             ?      
1 1 1 1  60 23 o -1.546000      2.256000      ?             ?      
1 1 1 1  60 24 o 0.4698000E-01  2.070000      ?             ?      
1 1 1 1  60 25 o 3.050000       2.066000      ?             ?      
1 1 1 1  60 26 o 1.696000       2.104000      ?             ?      
1 1 1 1  60 27 o -0.9024000     2.116000      ?             ?      
1 1 1 1  60 28 o -2.868000      2.099000      ?             ?      
1 1 1 1  60 29 o 0.6480000      2.091000      ?             ?      
1 1 1 1  60 30 o 0.6404000      2.178000      ?             ?      
1 1 1 1  60 31 o 1.456000       2.246000      ?             ?      
1 1 1 1  60 32 o -1.799000      2.787000      ?             ?      
1 1 1 1  61 0  o 0.3259000      1.222000      ?             ?      
1 1 1 1  61 1  o 0.4645000      0.8454000     ?             ?      
1 1 1 1  61 2  o 2.418000       0.8370000     ?             ?      
1 1 1 1  61 3  o 2.475000       0.8381000     ?             ?      
1 1 1 1  61 4  o -0.7437000     0.7938000     ?             ?      
1 1 1 1  61 5  o 2.880000       1.369000      ?             ?      
1 1 1 1  61 6  o 0.6389000      0.8373000     ?             ?      
1 1 1 1  61 7  o 0.4002000      0.8145000     ?             ?      
1 1 1 1  61 8  o 0.1765000E-01  0.7359000     ?             ?      
1 1 1 1  61 9  o 0.2898000      0.5192000     ?             ?      
1 1 1 1  61 10 o -0.2498000     0.4580000     ?             ?      
1 1 1 1  61 11 o 1.492000       1.479000      ?             ?      
1 1 1 1  61 12 o 1.587000       1.495000      ?             ?      
1 1 1 1  61 13 o 0.9768000      1.520000      ?             ?      
1 1 1 1  61 14 o -0.7984000     1.528000      ?             ?      
1 1 1 1  61 15 o 1.445000       1.553000      ?             ?      
1 1 1 1  61 16 o -1.341000      1.572000      ?             ?      
1 1 1 1  61 17 o -1.123000      1.623000      ?             ?      
1 1 1 1  61 18 o 0.5996000      1.647000      ?             ?      
1 1 1 1  61 19 o -1.914000      1.678000      ?             ?      
1 1 1 1  61 20 o -1.898000      1.982000      ?             ?      
1 1 1 1  61 21 o -5.263000      3.243000      ?             ?      
1 1 1 1  61 22 o 0.2688000      3.737000      ?             ?      
1 1 1 1  61 23 o -1.581000      2.025000      ?             ?      
1 1 1 1  61 24 o -3.596000      1.998000      ?             ?      
1 1 1 1  61 25 o 2.060000       2.086000      ?             ?      
1 1 1 1  61 26 o 1.683000       2.137000      ?             ?      
1 1 1 1  61 27 o 1.698000       2.164000      ?             ?      
1 1 1 1  61 28 o 2.757000       2.132000      ?             ?      
1 1 1 1  61 29 o 3.720000       2.215000      ?             ?      
1 1 1 1  61 30 o -0.4656000     2.149000      ?             ?      
1 1 1 1  61 31 o 1.972000       3.528000      ?             ?      
1 1 1 1  61 32 o -0.7975000     2.265000      ?             ?      
1 1 1 1  62 0  o 0.3807000      1.201000      ?             ?      
1 1 1 1  62 1  o 2.789000       0.8631000     ?             ?      
1 1 1 1  62 2  o -0.4427000     0.8313000     ?             ?      
1 1 1 1  62 3  o -0.5595000     0.8216000     ?             ?      
1 1 1 1  62 4  o 0.1022000E-01  0.7906000     ?             ?      
1 1 1 1  62 5  o 0.4954000      1.350000      ?             ?      
1 1 1 1  62 6  f 0.6513000      0.8825000     ?             ?      
1 1 1 1  62 7  o 2.070000       0.8142000     ?             ?      
1 1 1 1  62 8  o 0.4514000      0.6226000     ?             ?      
1 1 1 1  62 9  o 0.5048000      0.5111000     ?             ?      
1 1 1 1  62 10 o 1.276000       1.457000      ?             ?      
1 1 1 1  62 11 o -0.5170000E-01 1.483000      ?             ?      
1 1 1 1  62 12 o 3.579000       1.538000      ?             ?      
1 1 1 1  62 13 o 2.058000       1.542000      ?             ?      
1 1 1 1  62 14 o 1.236000       1.553000      ?             ?      
1 1 1 1  62 15 o -0.6844000E-01 1.576000      ?             ?      
1 1 1 1  62 16 o 1.514000       1.636000      ?             ?      
1 1 1 1  62 17 o -1.841000      1.640000      ?             ?      
1 1 1 1  62 18 o 0.6299000      1.671000      ?             ?      
1 1 1 1  62 19 o 0.8825000      1.673000      ?             ?      
1 1 1 1  62 20 o 0.7888000      2.242000      ?             ?      
1 1 1 1  62 22 o -1.063000      2.462000      ?             ?      
1 1 1 1  62 23 f -0.1302000     2.049000      ?             ?      
1 1 1 1  62 24 o 2.442000       2.088000      ?             ?      
1 1 1 1  62 25 o 3.036000       2.165000      ?             ?      
1 1 1 1  62 26 o 0.8267000      2.126000      ?             ?      
1 1 1 1  62 27 o 0.1592000      2.096000      ?             ?      
1 1 1 1  62 28 o 0.3453000E-01  2.632000      ?             ?      
1 1 1 1  62 29 o 2.397000       2.150000      ?             ?      
1 1 1 1  62 30 o 1.121000       2.170000      ?             ?      
1 1 1 1  63 0  o 0.9439000      1.211000      ?             ?      
1 1 1 1  63 1  o 0.4087000      0.8524000     ?             ?      
1 1 1 1  63 2  o -1.003000      0.8332000     ?             ?      
1 1 1 1  63 3  o -0.5378000     0.8228000     ?             ?      
1 1 1 1  63 4  o 2.653000       0.8184000     ?             ?      
1 1 1 1  63 5  o 3.241000       1.367000      ?             ?      
1 1 1 1  63 6  o -0.4643000E-01 1.093000      ?             ?      
1 1 1 1  63 7  o -1.203000      0.8224000     ?             ?      
1 1 1 1  63 8  o -0.4048000     0.5741000     ?             ?      
1 1 1 1  63 9  o 0.2681000      0.6099000     ?             ?      
1 1 1 1  63 10 o 1.131000       1.445000      ?             ?      
1 1 1 1  63 11 o 0.6618000      1.496000      ?             ?      
1 1 1 1  63 12 o -1.491000      1.506000      ?             ?      
1 1 1 1  63 13 o 0.4176000      1.535000      ?             ?      
1 1 1 1  63 14 o 3.852000       1.606000      ?             ?      
1 1 1 1  63 15 o 2.614000       1.613000      ?             ?      
1 1 1 1  63 16 o -1.391000      1.631000      ?             ?      
1 1 1 1  63 17 o -1.098000      1.655000      ?             ?      
1 1 1 1  63 18 o 3.206000       1.718000      ?             ?      
1 1 1 1  63 19 o 1.299000       1.743000      ?             ?      
1 1 1 1  63 20 o 0.1077000      2.308000      ?             ?      
1 1 1 1  63 21 o -2.518000      3.861000      ?             ?      
1 1 1 1  63 22 o -0.8563000E-01 2.075000      ?             ?      
1 1 1 1  63 23 o 1.229000       2.083000      ?             ?      
1 1 1 1  63 24 o 1.547000       2.111000      ?             ?      
1 1 1 1  63 25 o -2.152000      2.102000      ?             ?      
1 1 1 1  63 26 o 1.886000       2.174000      ?             ?      
1 1 1 1  63 27 o 4.245000       2.181000      ?             ?      
1 1 1 1  64 0  o 0.5653000      1.190000      ?             ?      
1 1 1 1  64 1  o 2.184000       0.8514000     ?             ?      
1 1 1 1  64 2  o 0.4214000      0.8625000     ?             ?      
1 1 1 1  64 3  o 5.464000       0.8622000     ?             ?      
1 1 1 1  64 4  o 0.3526000      0.8020000     ?             ?      
1 1 1 1  64 5  o -0.8301000     1.560000      ?             ?      
1 1 1 1  64 6  o -1.186000      1.179000      ?             ?      
1 1 1 1  64 7  o -0.9795000     1.276000      ?             ?      
1 1 1 1  64 8  o 0.2692000      0.5632000     ?             ?      
1 1 1 1  64 9  o 1.044000       0.5630000     ?             ?      
1 1 1 1  64 10 o 0.3292000      1.456000      ?             ?      
1 1 1 1  64 11 o 1.500000       1.517000      ?             ?      
1 1 1 1  64 12 o 1.452000       2.195000      ?             ?      
1 1 1 1  64 13 o 2.298000       1.696000      ?             ?      
1 1 1 1  64 14 o 1.979000       1.590000      ?             ?      
1 1 1 1  64 15 o 2.921000       1.612000      ?             ?      
1 1 1 1  64 16 o 2.369000       1.660000      ?             ?      
1 1 1 1  64 17 o -0.6738000     1.712000      ?             ?      
1 1 1 1  64 18 o 2.609000       1.745000      ?             ?      
1 1 1 1  64 19 o -2.196000      2.241000      ?             ?      
1 1 1 1  64 21 o -0.6075000     2.723000      ?             ?      
1 1 1 1  64 22 o -1.254000      1.799000      ?             ?      
1 1 1 1  64 23 o 1.352000       2.546000      ?             ?      
1 1 1 1  64 24 o 3.178000       3.372000      ?             ?      
1 1 1 1  65 0  o 0.3785000      1.184000      ?             ?      
1 1 1 1  65 1  o -0.3604000     0.8344000     ?             ?      
1 1 1 1  65 2  o 0.5674000      0.8624000     ?             ?      
1 1 1 1  65 3  o -0.7156000     0.8241000     ?             ?      
1 1 1 1  65 4  o -0.7473000     0.7931000     ?             ?      
1 1 1 1  65 5  o -1.949000      1.580000      ?             ?      
1 1 1 1  65 6  o 0.5080000      1.194000      ?             ?      
1 1 1 1  65 7  o 0.7427000      0.7863000     ?             ?      
1 1 1 1  65 8  o -0.2510000     0.5509000     ?             ?      
1 1 1 1  65 9  o 0.7148000      0.5501000     ?             ?      
1 1 1 1  65 10 o 0.8929000      1.479000      ?             ?      
1 1 1 1  65 11 o 1.738000       1.512000      ?             ?      
1 1 1 1  65 12 o 0.1582000      1.537000      ?             ?      
1 1 1 1  65 13 o 0.8456000E-01  1.582000      ?             ?      
1 1 1 1  65 14 o -1.902000      1.591000      ?             ?      
1 1 1 1  65 15 o -0.1257000     1.625000      ?             ?      
1 1 1 1  65 16 o -0.5086000E-02 1.646000      ?             ?      
1 1 1 1  65 17 o -0.7189000     1.683000      ?             ?      
1 1 1 1  65 18 o -0.2788000     1.721000      ?             ?      
1 1 1 1  65 19 o 2.582000       2.302000      ?             ?      
1 1 1 1  66 0  o 0.2571000E-01  1.196000      ?             ?      
1 1 1 1  66 1  o 0.2621000E-01  0.8468000     ?             ?      
1 1 1 1  66 2  o 0.6285000      1.202000      ?             ?      
1 1 1 1  66 3  o 0.2209000      0.8273000     ?             ?      
1 1 1 1  66 4  o -0.3952000     0.7941000     ?             ?      
1 1 1 1  66 5  o -2.079000      1.809000      ?             ?      
1 1 1 1  66 6  o -2.315000      1.539000      ?             ?      
1 1 1 1  66 7  o 0.1294000      0.6709000     ?             ?      
1 1 1 1  66 8  o 0.4649000      0.5745000     ?             ?      
1 1 1 1  66 9  o 0.3670000      0.5222000     ?             ?      
1 1 1 1  66 10 o 0.8309000      1.507000      ?             ?      
1 1 1 1  66 11 o 0.4887000E-01  2.163000      ?             ?      
1 1 1 1  66 12 o 2.287000       1.546000      ?             ?      
1 1 1 1  66 13 o -0.4867000     1.583000      ?             ?      
1 1 1 1  66 14 o 3.370000       1.668000      ?             ?      
1 1 1 1  66 15 o -2.832000      2.335000      ?             ?      
1 1 1 1  67 0  o -0.8977000     1.194000      ?             ?      
1 1 1 1  67 1  o -0.5927000     1.216000      ?             ?      
1 1 1 1  67 2  o 2.319000       0.8396000     ?             ?      
1 1 1 1  67 3  o -0.2629000     0.8401000     ?             ?      
1 1 1 1  67 4  o 1.035000       0.8071000     ?             ?      
1 1 1 1  67 5  o -2.101000      2.606000      ?             ?      
1 1 1 1  67 6  o -0.3105000     1.714000      ?             ?      
1 1 1 1  67 7  o -0.1655000     0.6702000     ?             ?      
1 1 1 1  67 8  o 0.3822000E-02  0.6911000     ?             ?      
1 1 1 2  0  0  o -0.5079000E-01 0.5708000E-01 ?             ?      
1 1 1 2  0  1  o -0.8423000E-01 0.6198000E-01 ?             ?      
1 1 1 2  0  2  o -0.1764000     0.1043000     ?             ?      
1 1 1 2  0  3  o 77.39000       3.065000      3051.673      90.0   
1 1 1 2  0  4  o 1883.000       52.13000      ?             ?      
1 1 1 2  0  5  o 161.4000       4.498000      1411.285      -90.0  
1 1 1 2  0  6  o 35.31000       1.041000      872.0637      0.0    
1 1 1 2  0  7  o 160.3000       4.481000      1055.853      90.0   
1 1 1 2  0  8  o 103.7000       2.932000      1181.880      180.0  
1 1 1 2  0  9  o 712.6000       19.75000      3944.869      90.0   
1 1 1 2  0  10 o 101.6000       2.895000      906.7462      0.0    
1 1 1 2  0  11 o 92.17000       2.647000      506.5754      90.0   
1 1 1 2  0  12 o 446.9000       12.44000      2681.680      180.0  
1 1 1 2  0  13 o 214.6000       6.032000      2277.511      90.0   
1 1 1 2  0  14 o 60.33000       1.833000      1080.318      180.0  
1 1 1 2  0  15 o 51.00000       1.603000      33.36193      -90.0  
1 1 1 2  0  16 o 630.6000       17.53000      4090.655      180.0  
1 1 1 2  0  17 o 40.51000       1.939000      386.0136      -90.0  
1 1 1 2  0  19 o 120.2000       4.945000      1818.760      -90.0  
1 1 1 2  0  20 o 303.6000       8.529000      2359.612      180.0  
1 1 1 2  0  21 o 126.0000       3.671000      1957.355      90.0   
1 1 1 2  0  22 o 4.375000       0.7574000     326.6859      -180.0 
1 1 1 2  0  23 o 89.29000       2.715000      2064.626      90.0   
1 1 1 2  0  24 o 224.4000       6.389000      1827.851      -0.0   
1 1 1 2  0  25 o 225.7000       6.434000      1913.268      90.0   
1 1 1 2  0  26 o 31.58000       1.348000      687.2454      -180.0 
1 1 1 2  0  27 o 103.9000       3.170000      1591.911      -90.0  
1 1 1 2  0  28 o 145.4000       4.315000      1335.641      0.0    
1 1 1 2  0  29 o 727.3000       20.29000      4192.766      90.0   
1 1 1 2  0  30 o 1007.000       28.03000      4690.470      -180.0 
1 1 1 2  0  31 o 28.05000       1.555000      451.0699      90.0   
1 1 1 2  0  32 o 358.8000       10.19000      2569.216      0.0    
1 1 1 2  0  33 o 15.71000       1.531000      620.7241      -90.0  
1 1 1 2  0  34 o 21.04000       1.673000      567.7398      180.0  
1 1 1 2  0  35 o 78.89000       4.093000      1269.825      -90.0  
1 1 1 2  0  36 o 21.75000       2.520000      317.6208      0.0    
1 1 1 2  0  37 o 7.461000       1.635000      17.80178      -90.0  
1 1 1 2  0  38 o 139.2000       4.389000      1589.100      -0.0   
1 1 1 2  0  39 o 51.37000       2.284000      702.1031      90.0   
1 1 1 2  0  40 o 220.3000       6.524000      1973.219      180.0  
1 1 1 2  0  41 o 5.097000       1.520000      203.5971      -90.0  
1 1 1 2  0  42 o 832.0000       23.29000      ?             ?      
1 1 1 2  0  43 o 5.230000       1.487000      363.8098      90.0   
1 1 1 2  0  44 o 11.99000       1.544000      228.1023      0.0    
1 1 1 2  0  45 o 7.121000       2.076000      189.7191      90.0   
1 1 1 2  0  46 o 22.51000       2.036000      616.6895      180.0  
1 1 1 2  0  47 o 13.70000       1.934000      315.0499      -90.0  
1 1 1 2  0  48 o 39.32000       2.956000      923.9911      180.0  
1 1 1 2  0  49 o 116.8000       4.477000      1569.981      90.0   
1 1 1 2  0  50 o 5.996000       1.570000      157.4869      -180.0 
1 1 1 2  0  51 o 80.25000       4.336000      1278.242      -90.0  
1 1 1 2  0  53 o 83.96000       3.724000      1496.773      -90.0  
1 1 1 2  0  54 o 101.2000       3.653000      1489.382      180.0  
1 1 1 2  0  55 o 112.9000       3.966000      ?             ?      
1 1 1 2  0  56 o 20.41000       2.044000      670.1305      0.0    
1 1 1 2  0  57 o 7.358000       1.904000      153.7561      -90.0  
1 1 1 2  0  58 o 7.417000       1.980000      234.6456      -0.0   
1 1 1 2  0  59 o 9.279000       2.034000      191.8945      -90.0  
1 1 1 2  0  60 o 76.65000       3.306000      ?             ?      
1 1 1 2  0  61 o 14.03000       2.197000      484.1364      90.0   
1 1 1 2  0  62 o 2.318000       2.071000      348.3481      0.0    
1 1 1 2  0  63 o 2.819000       2.074000      ?             ?      
1 1 1 2  0  64 o 10.79000       2.082000      ?             ?      
1 1 1 2  0  65 o 11.64000       2.059000      ?             ?      
1 1 1 2  0  66 o -0.1247000     2.732000      ?             ?      
1 1 1 2  0  67 o 13.61000       3.031000      ?             ?      
1 1 1 2  0  68 o 27.28000       2.402000      ?             ?      
1 1 1 2  0  69 o 11.69000       2.112000      ?             ?      
1 1 1 2  0  70 o 1.002000       1.977000      ?             ?      
1 1 1 2  0  71 o 2.315000       1.979000      ?             ?      
1 1 1 2  0  72 o 1.806000       2.041000      ?             ?      
1 1 1 2  0  73 o 1.472000       1.994000      ?             ?      
1 1 1 2  0  74 o 5.327000       2.068000      ?             ?      
1 1 1 2  0  75 o 1.865000       2.046000      ?             ?      
1 1 1 2  0  76 o 1.863000       2.090000      ?             ?      
1 1 1 2  0  77 o 1.730000       2.099000      ?             ?      
1 1 1 2  1  0  o 346.7000       13.56000      2081.239      0.0    
1 1 1 2  1  1  o 3.531000       0.1609000     1125.938      50.8   
1 1 1 2  1  2  o -0.1263000E-01 0.7046000E-01 ?             ?      
1 1 1 2  1  3  o 292.9000       8.120000      ?             ?      
1 1 1 2  1  4  o 152.1000       2.998000      1483.421      140.8  
1 1 1 2  1  5  o 63.06000       1.264000      1023.000      -153.4 
1 1 1 2  1  6  o 19.33000       0.4404000     540.0211      48.1   
1 1 1 2  1  7  o 52.47000       1.075000      770.3201      41.9   
1 1 1 2  1  8  o 6.496000       0.2710000     428.5262      154.7  
1 1 1 2  1  9  o 1572.000       30.76000      5697.915      -22.5  
1 1 1 2  1  10 o 910.4000       17.83000      4389.520      138.6  
1 1 1 2  1  11 o 114.1000       2.299000      1412.610      -138.1 
1 1 1 2  1  12 o 272.7000       5.391000      2406.177      -18.8  
1 1 1 2  1  13 o 410.5000       8.086000      3884.984      102.6  
1 1 1 2  1  14 o 206.0000       4.104000      1647.029      0.5    
1 1 1 2  1  15 o 275.9000       5.471000      2440.706      -73.8  
1 1 1 2  1  16 o 87.54000       1.831000      1734.186      6.9    
1 1 1 2  1  17 o 853.1000       21.85000      ?             ?      
1 1 1 2  1  18 o 108.3000       3.858000      1387.170      58.4   
1 1 1 2  1  19 o 51.26000       1.363000      745.9557      -138.8 
1 1 1 2  1  20 o 26.96000       0.7720000     1033.928      -2.7   
1 1 1 2  1  21 o 9.374000       0.5567000     606.1645      128.8  
1 1 1 2  1  22 o 62.27000       1.409000      1352.676      -162.8 
1 1 1 2  1  23 o 159.9000       3.267000      1845.106      34.6   
1 1 1 2  1  24 o 264.2000       5.293000      2733.463      -146.8 
1 1 1 2  1  25 o 666.9000       13.15000      3608.533      15.9   
1 1 1 2  1  26 o 154.8000       3.194000      1701.148      -114.7 
1 1 1 2  1  27 o 95.98000       2.096000      1936.227      -116.8 
1 1 1 2  1  29 o 69.29000       1.668000      1273.588      -11.4  
1 1 1 2  1  30 o 111.4000       2.444000      1174.371      30.7   
1 1 1 2  1  31 o 577.2000       11.44000      3479.856      13.9   
1 1 1 2  1  32 o 412.0000       8.234000      3270.178      -91.2  
1 1 1 2  1  33 o 946.1000       18.66000      4313.033      31.1   
1 1 1 2  1  34 o 103.8000       2.792000      1475.958      110.7  
1 1 1 2  1  35 f 94.71000       4.581000      1506.294      -22.0  
1 1 1 2  1  36 o 90.91000       4.469000      1481.622      111.2  
1 1 1 2  1  37 o 149.4000       3.791000      1528.942      167.3  
1 1 1 2  1  38 o 71.88000       1.930000      1063.090      -112.1 
1 1 1 2  1  39 o 222.5000       4.651000      1759.558      -102.5 
1 1 1 2  1  40 o 33.44000       1.358000      842.2870      78.2   
1 1 1 2  1  41 o 22.29000       1.223000      610.1384      -36.2  
1 1 1 2  1  42 o 132.2000       3.224000      1810.916      131.4  
1 1 1 2  1  43 o 83.94000       2.432000      1155.215      -99.0  
1 1 1 2  1  44 o 17.92000       1.240000      424.6573      116.4  
1 1 1 2  1  45 o 28.47000       1.398000      701.8027      138.7  
1 1 1 2  1  46 o 40.43000       1.691000      1010.532      -47.5  
1 1 1 2  1  47 o 88.57000       2.419000      1251.670      180.0  
1 1 1 2  1  48 o 41.49000       1.707000      923.9186      67.4   
1 1 1 2  1  49 o 8.751000       1.225000      308.4008      143.6  
1 1 1 2  1  50 o 44.89000       1.786000      910.1470      80.8   
1 1 1 2  1  51 o 7.063000       1.355000      421.3297      -127.3 
1 1 1 2  1  52 o 36.89000       2.751000      1036.002      6.8    
1 1 1 2  1  53 o 67.13000       2.315000      1198.080      -39.5  
1 1 1 2  1  54 o 32.91000       1.540000      815.8444      163.5  
1 1 1 2  1  55 o 28.44000       1.512000      739.5672      -106.3 
1 1 1 2  1  56 o 13.26000       1.379000      570.4376      59.1   
1 1 1 2  1  57 o 52.56000       1.867000      1191.247      28.6   
1 1 1 2  1  58 o 15.53000       1.455000      616.9406      -134.0 
1 1 1 2  1  59 o 18.98000       1.529000      667.1131      112.0  
1 1 1 2  1  60 o 58.54000       2.058000      ?             ?      
1 1 1 2  1  61 o 32.71000       1.731000      929.8931      -86.4  
1 1 1 2  1  62 o 7.439000       1.483000      445.3966      -45.4  
1 1 1 2  1  63 f 8.883000       1.472000      ?             ?      
1 1 1 2  1  64 o 11.17000       1.477000      ?             ?      
1 1 1 2  1  65 o 1.267000       1.605000      ?             ?      
1 1 1 2  1  66 o 8.175000       2.859000      ?             ?      
1 1 1 2  1  67 o 11.45000       2.893000      ?             ?      
1 1 1 2  1  68 o 7.887000       1.687000      ?             ?      
1 1 1 2  1  69 o 11.17000       1.471000      ?             ?      
1 1 1 2  1  70 o 3.091000       1.398000      ?             ?      
1 1 1 2  1  71 f 5.193000       1.413000      ?             ?      
1 1 1 2  1  72 o 6.912000       1.446000      ?             ?      
1 1 1 2  1  73 o 11.96000       1.496000      ?             ?      
1 1 1 2  1  74 o 1.652000       1.424000      ?             ?      
1 1 1 2  1  75 o 2.079000       1.464000      ?             ?      
1 1 1 2  1  77 o 1.036000       1.480000      ?             ?      
1 1 1 2  2  0  o 1064.000       33.98000      ?             ?      
1 1 1 2  2  1  o 101.8000       3.277000      1065.771      155.3  
1 1 1 2  2  2  o 28.35000       0.9180000     1254.507      -26.8  
1 1 1 2  2  3  o 196.9000       5.465000      2395.346      104.3  
1 1 1 2  2  4  o 121.0000       2.578000      1804.930      -42.7  
1 1 1 2  2  5  o 62.95000       1.262000      590.2957      18.6   
1 1 1 2  2  6  o 19.75000       0.4481000     660.1303      157.7  
1 1 1 2  2  7  o 107.3000       2.137000      2163.094      -91.3  
1 1 1 2  2  8  o 85.54000       1.723000      1159.748      134.2  
1 1 1 2  2  9  o 267.4000       5.270000      1944.466      96.4   
1 1 1 2  2  10 o 279.8000       5.516000      2661.177      101.3  
1 1 1 2  2  11 o 230.7000       4.565000      2028.010      80.6   
1 1 1 2  2  12 o 510.0000       10.02000      3620.433      113.3  
1 1 1 2  2  13 o 260.3000       5.156000      2387.586      109.8  
1 1 1 2  2  14 o 338.9000       6.695000      2721.458      -102.1 
1 1 1 2  2  15 o 244.0000       4.851000      2152.674      87.5   
1 1 1 2  2  16 o 217.5000       5.008000      1987.609      151.4  
1 1 1 2  2  17 o 31.97000       1.146000      732.6902      -21.3  
1 1 1 2  2  18 o 163.2000       4.661000      1851.872      11.2   
1 1 1 2  2  19 o 446.1000       12.46000      2885.381      139.8  
1 1 1 2  2  20 o 52.20000       1.397000      914.5488      84.7   
1 1 1 2  2  21 o 67.54000       1.499000      976.5521      -156.7 
1 1 1 2  2  22 f 79.99000       1.741000      1421.143      109.9  
1 1 1 2  2  23 o 164.8000       3.364000      1899.800      -33.8  
1 1 1 2  2  24 o 32.10000       0.9277000     761.7403      147.2  
1 1 1 2  2  25 o 17.04000       0.7300000     545.2636      106.3  
1 1 1 2  2  26 o 35.46000       1.014000      728.1325      -99.5  
1 1 1 2  2  27 o 3.962000       0.6706000     218.9982      111.0  
1 1 1 2  2  28 o 20.75000       0.8797000     364.6505      19.0   
1 1 1 2  2  29 o 200.8000       4.112000      1910.973      130.6  
1 1 1 2  2  30 o 10.38000       0.8529000     162.0272      55.0   
1 1 1 2  2  31 o 122.0000       2.660000      1179.772      -7.8   
1 1 1 2  2  32 o 205.3000       4.250000      1767.650      154.6  
1 1 1 2  2  33 o 196.2000       4.101000      1672.182      63.7   
1 1 1 2  2  34 o 103.4000       2.790000      1549.951      94.5   
1 1 1 2  2  35 o 41.81000       1.707000      932.8048      -104.9 
1 1 1 2  2  36 o 1.345000       1.337000      497.4079      84.6   
1 1 1 2  2  37 o 36.12000       1.667000      759.2646      -22.7  
1 1 1 2  2  38 f 105.4000       2.499000      1499.496      8.0    
1 1 1 2  2  39 o 55.37000       1.807000      1140.666      79.7   
1 1 1 2  2  40 o 23.96000       1.346000      623.4782      121.3  
1 1 1 2  2  41 o 189.3000       4.646000      1971.292      -157.3 
1 1 1 2  2  42 o 83.71000       2.126000      1348.894      103.9  
1 1 1 2  2  43 o 90.89000       2.585000      1599.876      98.3   
1 1 1 2  2  44 o 16.36000       1.225000      518.8859      -105.8 
1 1 1 2  2  45 o 16.02000       1.138000      698.4020      -69.3  
1 1 1 2  2  46 o 42.84000       1.475000      1115.459      -149.1 
1 1 1 2  2  47 o 134.5000       3.041000      ?             ?      
1 1 1 2  2  48 o 30.59000       1.330000      672.3636      -166.6 
1 1 1 2  2  49 o 39.06000       1.468000      943.5541      98.5   
1 1 1 2  2  50 o 5.473000       1.491000      493.5375      9.4    
1 1 1 2  2  51 o 3.366000       1.516000      236.0024      51.3   
1 1 1 2  2  53 o 37.02000       2.768000      948.3597      -52.7  
1 1 1 2  2  54 o 75.21000       2.355000      1153.985      143.7  
1 1 1 2  2  55 o 71.00000       2.113000      1237.327      -145.3 
1 1 1 2  2  56 o 9.992000       1.357000      468.6167      76.6   
1 1 1 2  2  57 o 52.74000       1.888000      1076.911      -165.7 
1 1 1 2  2  58 o 47.84000       1.860000      985.8156      170.6  
1 1 1 2  2  59 o 10.92000       1.471000      451.5734      140.0  
1 1 1 2  2  60 o 17.37000       1.549000      525.7433      178.5  
1 1 1 2  2  61 o 35.89000       1.755000      858.8005      21.8   
1 1 1 2  2  62 o 18.28000       1.567000      426.1086      66.8   
1 1 1 2  2  63 o 8.843000       1.480000      ?             ?      
1 1 1 2  2  64 o 5.476000       1.434000      ?             ?      
1 1 1 2  2  65 o 9.617000       1.676000      ?             ?      
1 1 1 2  2  66 o 18.07000       1.807000      ?             ?      
1 1 1 2  2  68 o 5.368000       1.688000      ?             ?      
1 1 1 2  2  69 o 7.982000       1.462000      ?             ?      
1 1 1 2  2  70 o 6.275000       1.436000      ?             ?      
1 1 1 2  2  71 o 3.275000       1.427000      ?             ?      
1 1 1 2  2  72 o 2.937000       1.432000      ?             ?      
1 1 1 2  2  73 o 0.5039000      1.430000      ?             ?      
1 1 1 2  2  74 o 4.881000       1.481000      ?             ?      
1 1 1 2  2  75 o 3.684000       1.481000      ?             ?      
1 1 1 2  2  76 o 2.072000       1.476000      ?             ?      
1 1 1 2  2  77 o 4.098000       2.125000      ?             ?      
1 1 1 2  3  0  o -0.1054000     0.8651000E-01 ?             ?      
1 1 1 2  3  1  o -0.1144000     0.5944000E-01 ?             ?      
1 1 1 2  3  2  o 17.84000       0.6001000     1292.964      16.0   
1 1 1 2  3  3  o 49.29000       1.138000      495.1395      -121.3 
1 1 1 2  3  4  o 10.89000       0.3051000     258.0376      -19.5  
1 1 1 2  3  5  o 228.8000       4.502000      1243.149      -127.3 
1 1 1 2  3  6  o 452.5000       8.875000      3328.659      -149.1 
1 1 1 2  3  7  o 188.4000       3.717000      1851.078      29.2   
1 1 1 2  3  8  o 219.8000       4.336000      2588.161      -80.4  
1 1 1 2  3  9  o 39.70000       0.8568000     344.1761      -31.3  
1 1 1 2  3  10 o 118.9000       2.385000      2097.510      108.5  
1 1 1 2  3  11 o 97.56000       1.980000      1097.330      -141.1 
1 1 1 2  3  12 o 27.86000       0.6815000     893.1180      22.1   
1 1 1 2  3  13 o 305.4000       6.034000      2595.594      -90.3  
1 1 1 2  3  14 o 277.2000       5.492000      2559.368      -60.4  
1 1 1 2  3  15 o 113.4000       2.322000      1496.427      -36.9  
1 1 1 2  3  16 o 67.47000       1.870000      1086.274      95.1   
1 1 1 2  3  17 o 148.3000       3.465000      892.6002      14.7   
1 1 1 2  3  18 o 240.0000       5.176000      2455.685      -22.1  
1 1 1 2  3  19 o 17.84000       0.9168000     416.2344      47.7   
1 1 1 2  3  20 o 233.8000       5.406000      1778.267      -99.2  
1 1 1 2  3  21 o 49.57000       1.178000      1470.441      120.5  
1 1 1 2  3  22 o 89.26000       1.917000      1194.080      -90.7  
1 1 1 2  3  23 o 16.75000       0.6940000     562.1005      -171.4 
1 1 1 2  3  24 o 113.1000       2.385000      1888.038      -94.5  
1 1 1 2  3  25 o 40.43000       1.080000      492.6309      26.5   
1 1 1 2  3  26 o 50.88000       1.272000      601.8337      -39.7  
1 1 1 2  3  27 o 44.05000       1.181000      933.4622      -129.2 
1 1 1 2  3  28 o 453.2000       9.000000      2945.836      -130.4 
1 1 1 2  3  29 o 38.21000       1.149000      1011.223      69.3   
1 1 1 2  3  30 o 27.98000       1.043000      942.3906      -50.0  
1 1 1 2  3  31 o 111.6000       2.472000      1567.264      -113.2 
1 1 1 2  3  32 o 79.62000       1.937000      982.0270      -22.0  
1 1 1 2  3  33 o 52.53000       1.765000      936.0758      -119.6 
1 1 1 2  3  34 o 74.72000       2.701000      1422.518      -166.3 
1 1 1 2  3  35 o 17.94000       1.367000      306.6873      75.1   
1 1 1 2  3  36 o 81.98000       2.442000      1193.527      -99.5  
1 1 1 2  3  37 o 143.4000       4.529000      1845.126      162.4  
1 1 1 2  3  38 o 207.5000       5.064000      2105.356      -171.4 
1 1 1 2  3  39 o 28.03000       1.416000      812.7086      -80.2  
1 1 1 2  3  40 o 123.5000       3.066000      1523.780      117.0  
1 1 1 2  3  41 o 202.6000       4.953000      1714.055      -139.7 
1 1 1 2  3  43 o 36.44000       1.368000      1026.748      -67.4  
1 1 1 2  3  44 o 59.24000       1.701000      1255.525      149.7  
1 1 1 2  3  45 o 34.13000       1.337000      753.0089      -40.3  
1 1 1 2  3  46 o 19.47000       1.178000      544.0457      29.9   
1 1 1 2  3  47 o 60.16000       1.752000      1219.208      160.4  
1 1 1 2  3  48 o 69.96000       1.916000      1411.256      -143.8 
1 1 1 2  3  49 o 7.217000       1.104000      356.8771      63.7   
1 1 1 2  3  50 o 24.39000       1.470000      770.3740      -137.5 
1 1 1 2  3  51 o 67.14000       2.200000      1368.709      71.0   
1 1 1 2  3  52 o 72.46000       2.412000      1234.870      23.6   
1 1 1 2  3  53 o 6.118000       2.326000      120.6869      133.0  
1 1 1 2  3  54 o 28.92000       1.900000      728.3445      -47.3  
1 1 1 2  3  55 o 45.02000       1.971000      890.9055      -115.7 
1 1 1 2  3  56 o 45.65000       1.896000      1092.280      -22.1  
1 1 1 2  3  57 o 62.09000       2.039000      1137.329      -128.0 
1 1 1 2  3  58 o 9.808000       1.426000      335.5330      -50.7  
1 1 1 2  3  59 o 21.00000       1.541000      772.6613      -32.6  
1 1 1 2  3  60 o 7.970000       1.482000      408.5654      43.3   
1 1 1 2  3  61 o 6.522000       1.480000      391.5403      56.7   
1 1 1 2  3  62 o -0.4151000     1.454000      158.3811      -125.9 
1 1 1 2  3  63 o 19.51000       1.590000      ?             ?      
1 1 1 2  3  64 o 0.3565000      1.541000      ?             ?      
1 1 1 2  3  65 o 3.473000       1.850000      ?             ?      
1 1 1 2  3  66 o 7.287000       1.659000      ?             ?      
1 1 1 2  3  67 o 5.010000       1.681000      ?             ?      
1 1 1 2  3  68 o 12.26000       2.182000      ?             ?      
1 1 1 2  3  69 o 15.54000       1.689000      ?             ?      
1 1 1 2  3  70 o 4.747000       1.440000      ?             ?      
1 1 1 2  3  71 o 12.55000       1.513000      ?             ?      
1 1 1 2  3  72 o 2.062000       1.444000      ?             ?      
1 1 1 2  3  73 o 3.162000       1.455000      ?             ?      
1 1 1 2  3  74 o 0.1698000E-01  1.447000      ?             ?      
1 1 1 2  3  75 o 2.718000       1.466000      ?             ?      
1 1 1 2  3  77 o -0.8752000E-01 1.498000      ?             ?      
1 1 1 2  4  0  o 11.31000       0.4777000     266.5684      0.0    
1 1 1 2  4  1  o 55.21000       1.546000      930.9506      24.6   
1 1 1 2  4  2  o 152.7000       3.603000      784.8353      171.2  
1 1 1 2  4  3  o 135.4000       3.087000      840.8518      -105.5 
1 1 1 2  4  4  o 110.2000       2.521000      895.7451      95.4   
1 1 1 2  4  5  o 381.3000       8.057000      2958.246      -50.5  
1 1 1 2  4  6  o 69.41000       1.508000      1157.228      139.2  
1 1 1 2  4  7  o 28.47000       0.6234000     1319.802      0.2    
1 1 1 2  4  8  o 176.0000       3.483000      2297.510      73.5   
1 1 1 2  4  9  o 57.66000       1.196000      1409.427      -136.7 
1 1 1 2  4  10 o 241.2000       4.765000      2496.592      1.3    
1 1 1 2  4  11 o 440.6000       8.663000      3163.486      22.7   
1 1 1 2  4  12 o 219.8000       4.361000      1922.666      146.3  
1 1 1 2  4  13 f 21.34000       0.5896000     706.8865      10.9   
1 1 1 2  4  14 o 2.327000       0.3769000     627.3145      -93.1  
1 1 1 2  4  15 o 425.9000       9.690000      3157.724      139.6  
1 1 1 2  4  16 o 26.39000       0.9845000     1117.527      0.3    
1 1 1 2  4  17 o 187.3000       4.336000      1958.083      63.4   
1 1 1 2  4  18 o 112.1000       2.315000      1272.256      82.4   
1 1 1 2  4  19 o 83.33000       2.058000      1324.940      -46.8  
1 1 1 2  4  20 o 32.48000       1.261000      436.6799      -83.4  
1 1 1 2  4  21 o 25.90000       0.8578000     696.9902      89.3   
1 1 1 2  4  22 o 80.39000       1.752000      1706.681      135.5  
1 1 1 2  4  23 o 389.7000       7.729000      2875.383      12.8   
1 1 1 2  4  24 o 61.23000       1.423000      1112.842      115.3  
1 1 1 2  4  25 o 12.05000       0.6844000     620.2469      -55.0  
1 1 1 2  4  26 o 80.34000       1.801000      1432.210      -68.9  
1 1 1 2  4  27 o 181.3000       3.725000      1630.837      137.8  
1 1 1 2  4  28 o 367.0000       7.329000      2751.874      -80.0  
1 1 1 2  4  29 o 14.73000       0.8598000     799.3840      16.7   
1 1 1 2  4  30 o 52.43000       1.416000      661.9205      122.7  
1 1 1 2  4  31 o 11.96000       0.9290000     622.7560      8.4    
1 1 1 2  4  32 o 14.27000       1.013000      727.6777      -43.2  
1 1 1 2  4  33 o 13.45000       1.227000      605.7958      -23.9  
1 1 1 2  4  34 o 303.3000       7.132000      2586.145      -27.9  
1 1 1 2  4  35 o 97.61000       2.548000      1841.549      166.4  
1 1 1 2  4  36 o 120.6000       3.213000      1467.695      -134.2 
1 1 1 2  4  37 o 128.0000       4.776000      1655.332      16.2   
1 1 1 2  4  38 o 234.4000       6.933000      2334.722      44.9   
1 1 1 2  4  39 o 177.8000       4.128000      2058.396      133.7  
1 1 1 2  4  40 o 92.78000       2.276000      1333.813      -33.7  
1 1 1 2  4  41 o 82.29000       2.087000      1122.710      -9.7   
1 1 1 2  4  42 o 52.47000       1.604000      1329.616      33.2   
1 1 1 2  4  43 o 187.5000       4.000000      2329.732      -75.0  
1 1 1 2  4  44 o 82.54000       2.089000      1306.727      -44.4  
1 1 1 2  4  45 o 17.35000       1.127000      620.6354      56.3   
1 1 1 2  4  46 o 9.266000       1.077000      342.8145      -12.2  
1 1 1 2  4  47 o 9.677000       1.087000      458.3922      124.6  
1 1 1 2  4  48 o 73.20000       1.970000      1020.973      -118.3 
1 1 1 2  4  49 o 56.58000       1.971000      1117.595      -12.6  
1 1 1 2  4  50 o 14.37000       1.582000      625.4604      81.0   
1 1 1 2  4  51 o 14.63000       1.364000      629.9182      95.1   
1 1 1 2  4  52 o 41.54000       1.581000      995.8116      80.3   
1 1 1 2  4  53 o 13.37000       1.524000      474.3873      7.7    
1 1 1 2  4  54 o 8.808000       2.185000      320.1888      -17.3  
1 1 1 2  4  55 o 19.15000       1.638000      603.1330      18.2   
1 1 1 2  4  56 o 0.8733000      1.428000      232.0264      -41.4  
1 1 1 2  4  57 o 93.49000       2.925000      ?             ?      
1 1 1 2  4  58 o 18.24000       1.608000      722.3902      -105.8 
1 1 1 2  4  59 o 48.36000       1.910000      1120.145      140.5  
1 1 1 2  4  60 o 5.495000       1.474000      376.8776      153.9  
1 1 1 2  4  61 o 12.33000       1.535000      430.3681      147.0  
1 1 1 2  4  62 o 8.907000       1.501000      528.5718      27.3   
1 1 1 2  4  63 o 18.68000       1.598000      ?             ?      
1 1 1 2  4  64 o 16.31000       1.796000      ?             ?      
1 1 1 2  4  65 o 13.64000       1.940000      ?             ?      
1 1 1 2  4  66 o 4.178000       1.532000      ?             ?      
1 1 1 2  4  67 o 3.106000       1.423000      ?             ?      
1 1 1 2  4  68 o 10.65000       1.774000      ?             ?      
1 1 1 2  4  69 o 10.68000       1.765000      ?             ?      
1 1 1 2  4  70 o 6.135000       1.458000      ?             ?      
1 1 1 2  4  71 o 5.241000       1.462000      ?             ?      
1 1 1 2  4  72 o 5.625000       1.457000      ?             ?      
1 1 1 2  4  73 o -3.124000      1.422000      ?             ?      
1 1 1 2  4  74 o 0.9688000      1.447000      ?             ?      
1 1 1 2  4  75 o 2.184000       1.481000      ?             ?      
1 1 1 2  4  76 o 5.400000       1.518000      ?             ?      
1 1 1 2  4  77 o 6.160000       1.782000      ?             ?      
1 1 1 2  5  0  o 15.15000       0.5254000     350.6438      -180.0 
1 1 1 2  5  1  o 161.8000       3.178000      566.0421      173.3  
1 1 1 2  5  2  o 136.9000       3.157000      1229.872      -32.1  
1 1 1 2  5  3  o 23.87000       0.6572000     504.7394      -48.9  
1 1 1 2  5  4  o 98.84000       2.270000      1332.941      142.2  
1 1 1 2  5  5  o 212.4000       4.835000      2708.268      -163.9 
1 1 1 2  5  6  o 77.06000       1.669000      836.1075      57.2   
1 1 1 2  5  7  o 153.4000       3.038000      1676.838      -8.6   
1 1 1 2  5  8  o 145.1000       2.882000      2165.731      44.9   
1 1 1 2  5  9  o 380.5000       7.479000      3182.346      102.4  
1 1 1 2  5  10 o 109.3000       2.202000      2446.989      52.1   
1 1 1 2  5  11 o 185.2000       3.682000      2119.177      -63.0  
1 1 1 2  5  12 o 125.4000       2.527000      1694.367      -119.9 
1 1 1 2  5  13 o 62.97000       1.337000      1188.361      -87.6  
1 1 1 2  5  14 o 25.20000       0.6708000     590.7335      -78.2  
1 1 1 2  5  15 o 83.27000       2.009000      1315.618      166.2  
1 1 1 2  5  16 o 104.5000       2.485000      1470.306      170.7  
1 1 1 2  5  17 o 31.53000       0.8146000     1017.988      11.6   
1 1 1 2  5  18 o 51.28000       1.173000      1070.375      41.4   
1 1 1 2  5  19 o 27.80000       0.9568000     569.0738      119.9  
1 1 1 2  5  20 o 29.39000       1.208000      599.7363      -45.6  
1 1 1 2  5  21 o 22.91000       0.8726000     688.3672      106.9  
1 1 1 2  5  22 o 28.98000       0.8525000     852.0299      -82.1  
1 1 1 2  5  23 o 91.31000       1.974000      1245.828      -166.2 
1 1 1 2  5  24 o 32.51000       0.9400000     816.1384      -36.1  
1 1 1 2  5  25 o 46.38000       1.187000      1068.534      -128.7 
1 1 1 2  5  26 o 65.51000       1.545000      1172.718      36.9   
1 1 1 2  5  27 o 3.694000       0.6975000     241.0146      -32.0  
1 1 1 2  5  28 o 63.18000       1.549000      1035.490      -145.5 
1 1 1 2  5  29 o 76.31000       1.813000      1297.483      -60.9  
1 1 1 2  5  30 o 85.98000       2.007000      1304.422      49.8   
1 1 1 2  5  31 f 65.75000       1.684000      824.7661      94.0   
1 1 1 2  5  32 o 100.8000       2.693000      1606.815      -68.1  
1 1 1 2  5  33 o 13.19000       2.034000      248.8260      -30.1  
1 1 1 2  5  34 o 57.52000       2.182000      965.1179      44.6   
1 1 1 2  5  35 o 49.05000       1.733000      902.9665      -164.8 
1 1 1 2  5  36 o 185.1000       4.586000      1965.979      161.9  
1 1 1 2  5  37 o 757.2000       17.33000      ?             ?      
1 1 1 2  5  38 o 174.5000       5.345000      2099.505      -151.4 
1 1 1 2  5  39 o 22.32000       1.407000      602.3350      102.4  
1 1 1 2  5  40 o 46.30000       1.507000      1049.059      -133.6 
1 1 1 2  5  41 o 15.67000       1.124000      567.5834      136.2  
1 1 1 2  5  42 o 68.44000       1.983000      1429.780      132.8  
1 1 1 2  5  43 o 41.32000       1.439000      976.8933      33.1   
1 1 1 2  5  44 o 23.16000       1.193000      878.0809      65.5   
1 1 1 2  5  45 o 20.22000       1.163000      548.4979      -1.9   
1 1 1 2  5  46 o 16.77000       1.137000      463.5118      -167.8 
1 1 1 2  5  47 o 7.646000       1.067000      424.3456      114.3  
1 1 1 2  5  48 o 31.18000       1.347000      812.4155      -80.2  
1 1 1 2  5  49 o 44.39000       1.809000      952.9725      56.0   
1 1 1 2  5  50 o 11.22000       1.315000      454.5692      -128.8 
1 1 1 2  5  51 o 31.42000       1.407000      906.6944      101.8  
1 1 1 2  5  52 o 13.09000       1.225000      478.6033      77.2   
1 1 1 2  5  53 o 4.282000       1.420000      148.1900      179.9  
1 1 1 2  5  54 o 5.265000       1.816000      262.9387      -69.0  
1 1 1 2  5  55 o 8.344000       1.480000      350.4057      -34.3  
1 1 1 2  5  56 o 4.103000       1.319000      258.4210      -40.4  
1 1 1 2  5  57 o 30.90000       1.839000      773.7117      -132.2 
1 1 1 2  5  58 o 4.660000       1.536000      210.4642      -82.7  
1 1 1 2  5  59 o 15.83000       1.649000      643.2092      -41.4  
1 1 1 2  5  60 o 10.45000       1.717000      351.3960      177.0  
1 1 1 2  5  61 o 5.963000       1.524000      426.3740      -169.7 
1 1 1 2  5  62 o 21.65000       1.637000      ?             ?      
1 1 1 2  5  63 o 3.897000       1.496000      ?             ?      
1 1 1 2  5  64 o 8.059000       1.726000      ?             ?      
1 1 1 2  5  65 o 3.169000       1.655000      ?             ?      
1 1 1 2  5  67 o -1.060000      1.407000      ?             ?      
1 1 1 2  5  68 o 13.46000       1.759000      ?             ?      
1 1 1 2  5  69 o 5.069000       1.922000      ?             ?      
1 1 1 2  5  70 o 2.518000       1.541000      ?             ?      
1 1 1 2  5  71 o -2.353000      1.414000      ?             ?      
1 1 1 2  5  72 o 2.618000       1.455000      ?             ?      
1 1 1 2  5  73 o 3.123000       1.454000      ?             ?      
1 1 1 2  5  74 o 2.293000       1.464000      ?             ?      
1 1 1 2  5  75 o 5.265000       1.515000      ?             ?      
1 1 1 2  5  76 o 3.394000       1.631000      ?             ?      
1 1 1 2  5  77 o 2.944000       1.749000      ?             ?      
1 1 1 2  6  0  o 28.68000       0.8300000     972.1011      -180.0 
1 1 1 2  6  1  o 99.39000       1.964000      1095.726      -127.5 
1 1 1 2  6  2  o 20.26000       0.4426000     496.3864      48.6   
1 1 1 2  6  3  f 37.23000       0.9979000     279.3528      -129.8 
1 1 1 2  6  4  o 6.883000       0.2237000     296.4178      -63.0  
1 1 1 2  6  5  o 2.575000       0.1835000     432.8525      -94.9  
1 1 1 2  6  6  o 39.82000       0.8989000     777.2830      117.4  
1 1 1 2  6  7  o 79.63000       1.604000      1724.928      141.9  
1 1 1 2  6  8  o 175.4000       3.472000      1773.605      90.7   
1 1 1 2  6  9  o 25.18000       0.7832000     328.4948      -77.0  
1 1 1 2  6  10 o 88.58000       1.802000      1423.621      84.4   
1 1 1 2  6  11 o 137.9000       2.764000      1859.723      -166.8 
1 1 1 2  6  12 o 50.46000       1.095000      1387.585      8.6    
1 1 1 2  6  13 o 13.45000       0.4714000     612.0268      -164.9 
1 1 1 2  6  14 o 3.168000       0.4280000     257.4261      -105.9 
1 1 1 2  6  15 o 44.28000       1.404000      1123.820      34.8   
1 1 1 2  6  16 o 34.66000       0.9816000     871.0451      -118.8 
1 1 1 2  6  17 o 12.38000       0.5267000     314.3163      131.7  
1 1 1 2  6  18 o 6.760000       0.4817000     381.6440      -113.9 
1 1 1 2  6  19 o 16.68000       0.6225000     803.5189      -80.1  
1 1 1 2  6  20 o 17.81000       0.9074000     512.0616      87.5   
1 1 1 2  6  21 o 6.199000       0.8461000     418.3005      144.8  
1 1 1 2  6  22 o 90.82000       2.116000      1488.453      -114.6 
1 1 1 2  6  23 o 186.3000       3.785000      1849.478      100.4  
1 1 1 2  6  24 o 99.35000       2.137000      1470.102      59.4   
1 1 1 2  6  25 o 11.32000       0.6840000     448.4480      -33.9  
1 1 1 2  6  26 o 12.25000       0.7340000     223.6051      -77.6  
1 1 1 2  6  27 o 41.93000       1.173000      863.2944      -5.8   
1 1 1 2  6  28 o 97.67000       2.176000      1379.426      -171.0 
1 1 1 2  6  29 o 100.0000       2.413000      1583.722      135.7  
1 1 1 2  6  30 o 93.89000       2.343000      1910.351      58.4   
1 1 1 2  6  31 o 44.85000       1.587000      796.7826      -97.2  
1 1 1 2  6  32 o 48.76000       1.704000      1122.048      -70.1  
1 1 1 2  6  33 o 24.96000       1.616000      843.7933      -33.2  
1 1 1 2  6  34 o 9.215000       1.327000      144.9586      -100.1 
1 1 1 2  6  35 o 44.24000       1.513000      777.2456      153.1  
1 1 1 2  6  36 o 100.6000       2.413000      1573.305      -42.5  
1 1 1 2  6  37 o 83.08000       2.133000      1276.308      0.5    
1 1 1 2  6  38 o 24.55000       1.679000      576.4065      35.6   
1 1 1 2  6  39 o 16.61000       1.332000      530.0056      -152.6 
1 1 1 2  6  40 o 54.55000       1.626000      978.0076      -40.6  
1 1 1 2  6  41 o 18.05000       1.140000      664.4276      -159.2 
1 1 1 2  6  42 o 17.21000       1.126000      817.4226      -131.6 
1 1 1 2  6  43 o 136.3000       3.048000      1815.381      -62.9  
1 1 1 2  6  44 o 25.04000       1.213000      889.4504      23.9   
1 1 1 2  6  45 o 21.26000       1.163000      634.8446      -19.1  
1 1 1 2  6  46 o 31.62000       1.311000      635.0092      144.9  
1 1 1 2  6  47 o 34.65000       1.384000      790.2613      146.0  
1 1 1 2  6  48 o 6.019000       1.233000      155.1934      -54.4  
1 1 1 2  6  49 o 122.5000       3.992000      ?             ?      
1 1 1 2  6  50 o 13.23000       1.327000      566.4695      139.9  
1 1 1 2  6  51 o 21.20000       1.287000      737.1556      156.1  
1 1 1 2  6  52 o 4.385000       1.162000      184.3115      -8.6   
1 1 1 2  6  53 o 19.73000       1.317000      591.3107      134.1  
1 1 1 2  6  54 o 10.80000       1.518000      418.8925      51.6   
1 1 1 2  6  55 o 2.720000       1.482000      114.9170      71.1   
1 1 1 2  6  56 o 4.542000       1.324000      218.5390      20.6   
1 1 1 2  6  57 o 14.33000       1.449000      566.7781      165.8  
1 1 1 2  6  58 o 45.75000       1.867000      931.4577      -56.9  
1 1 1 2  6  59 o 34.27000       1.991000      872.7859      144.2  
1 1 1 2  6  60 o 14.43000       1.773000      554.8895      -34.5  
1 1 1 2  6  61 o 2.370000       1.597000      246.0728      -162.0 
1 1 1 2  6  62 o 8.071000       1.729000      ?             ?      
1 1 1 2  6  63 o 11.27000       1.756000      ?             ?      
1 1 1 2  6  64 o 9.206000       2.048000      ?             ?      
1 1 1 2  6  65 o 0.8259000      1.637000      ?             ?      
1 1 1 2  6  66 o 5.057000       1.442000      ?             ?      
1 1 1 2  6  67 o 5.033000       1.451000      ?             ?      
1 1 1 2  6  68 o 3.531000       1.567000      ?             ?      
1 1 1 2  6  69 o 2.805000       1.921000      ?             ?      
1 1 1 2  6  70 o 3.373000       1.650000      ?             ?      
1 1 1 2  6  71 o 4.025000       1.444000      ?             ?      
1 1 1 2  6  72 o 2.364000       1.433000      ?             ?      
1 1 1 2  6  73 o 6.179000       1.490000      ?             ?      
1 1 1 2  6  74 o 2.068000       1.474000      ?             ?      
1 1 1 2  6  75 o 0.2542000      1.474000      ?             ?      
1 1 1 2  6  76 o 2.029000       1.723000      ?             ?      
1 1 1 2  6  77 o 2.217000       2.884000      ?             ?      
1 1 1 2  7  0  o 0.4398000      0.1848000     379.9752      180.0  
1 1 1 2  7  1  o 30.32000       0.6773000     1032.753      132.5  
1 1 1 2  7  2  o 60.10000       1.491000      1528.395      -73.9  
1 1 1 2  7  3  o 5.763000       0.1987000     215.3488      -164.0 
1 1 1 2  7  4  o 2.824000       0.1490000     208.2082      85.5   
1 1 1 2  7  5  o 23.08000       0.6826000     583.6490      -73.9  
1 1 1 2  7  6  o 59.85000       1.321000      1623.908      144.4  
1 1 1 2  7  7  o 20.54000       0.5722000     892.5957      -33.4  
1 1 1 2  7  8  o 83.67000       1.693000      1289.664      114.0  
1 1 1 2  7  9  o 84.63000       1.720000      1115.922      145.1  
1 1 1 2  7  10 o 128.2000       2.571000      1679.564      -62.5  
1 1 1 2  7  11 o 62.99000       1.323000      1188.933      158.1  
1 1 1 2  7  12 o 13.10000       0.4488000     338.4997      123.6  
1 1 1 2  7  13 o 14.31000       0.4856000     844.3805      80.6   
1 1 1 2  7  14 o 25.35000       0.8713000     535.6766      -55.5  
1 1 1 2  7  15 o 13.36000       0.5778000     650.2619      -106.8 
1 1 1 2  7  16 o 20.04000       0.6187000     575.0333      -116.8 
1 1 1 2  7  17 o 48.62000       1.115000      959.8614      51.4   
1 1 1 2  7  18 o 37.63000       0.9364000     649.3764      157.7  
1 1 1 2  7  19 o 8.130000       0.5185000     443.2211      62.9   
1 1 1 2  7  20 o 16.51000       0.7068000     618.0754      32.8   
1 1 1 2  7  21 o 48.15000       1.551000      1143.910      -54.0  
1 1 1 2  7  22 o 12.41000       0.7514000     260.2626      -144.2 
1 1 1 2  7  23 o 63.81000       1.703000      1162.537      -167.7 
1 1 1 2  7  24 o 71.23000       1.624000      962.5508      -73.6  
1 1 1 2  7  25 o 200.2000       4.075000      2294.531      -157.8 
1 1 1 2  7  26 o 136.5000       2.873000      1764.146      61.7   
1 1 1 2  7  27 o 33.73000       1.147000      705.2977      71.6   
1 1 1 2  7  28 o 21.30000       1.082000      490.8493      75.3   
1 1 1 2  7  29 o 44.78000       1.503000      919.0583      -157.3 
1 1 1 2  7  30 o 24.59000       1.167000      630.4655      -87.3  
1 1 1 2  7  31 o 15.30000       1.438000      567.9944      -165.2 
1 1 1 2  7  32 o 24.31000       1.930000      918.0565      -12.8  
1 1 1 2  7  33 o 45.84000       1.689000      964.4644      133.9  
1 1 1 2  7  34 f 82.91000       2.088000      1034.632      16.3   
1 1 1 2  7  35 o 56.04000       1.673000      1028.915      -168.2 
1 1 1 2  7  36 f 22.78000       1.223000      445.7958      163.2  
1 1 1 2  7  37 o 108.4000       2.543000      1542.304      162.7  
1 1 1 2  7  38 o 25.89000       1.476000      661.5071      167.2  
1 1 1 2  7  39 o 5.028000       1.582000      91.44756      51.4   
1 1 1 2  7  40 o 3.921000       1.137000      100.5117      91.7   
1 1 1 2  7  41 o 15.06000       1.108000      488.5941      82.5   
1 1 1 2  7  42 o 16.26000       1.112000      478.7025      56.4   
1 1 1 2  7  43 o 19.81000       1.147000      696.1024      33.3   
1 1 1 2  7  44 o 26.51000       1.224000      647.0480      -16.2  
1 1 1 2  7  45 o 16.54000       1.126000      600.9895      60.9   
1 1 1 2  7  46 o 26.34000       1.259000      486.4633      -159.1 
1 1 1 2  7  47 o 24.20000       1.255000      754.0043      160.6  
1 1 1 2  7  48 o 9.758000       1.277000      202.9636      -147.1 
1 1 1 2  7  49 o 19.37000       1.402000      731.6882      -158.7 
1 1 1 2  7  50 o -0.8466000     1.102000      161.6033      -77.8  
1 1 1 2  7  51 o 1.935000       1.128000      157.1758      -9.3   
1 1 1 2  7  52 o 8.012000       1.185000      383.3526      155.0  
1 1 1 2  7  53 o 8.230000       1.220000      363.8567      -86.3  
1 1 1 2  7  54 o 5.759000       1.483000      441.7101      -139.1 
1 1 1 2  7  55 o 20.19000       2.066000      607.9045      -109.9 
1 1 1 2  7  56 o 30.34000       1.821000      810.5938      101.9  
1 1 1 2  7  57 o 5.147000       1.388000      251.8614      128.3  
1 1 1 2  7  58 o 8.573000       1.456000      411.5537      -46.4  
1 1 1 2  7  59 o 10.66000       1.506000      472.2651      51.5   
1 1 1 2  7  60 o 28.58000       1.707000      742.6631      -141.8 
1 1 1 2  7  61 o 13.75000       1.643000      613.1242      -115.5 
1 1 1 2  7  62 o 3.572000       1.656000      ?             ?      
1 1 1 2  7  63 o 11.83000       1.889000      ?             ?      
1 1 1 2  7  64 o 1.029000       1.938000      ?             ?      
1 1 1 2  7  65 o -0.4628000     1.541000      ?             ?      
1 1 1 2  7  66 o 3.518000       1.426000      ?             ?      
1 1 1 2  7  67 o 11.34000       1.489000      ?             ?      
1 1 1 2  7  68 o 1.694000       1.429000      ?             ?      
1 1 1 2  7  69 o 1.215000       1.644000      ?             ?      
1 1 1 2  7  70 o -1.585000      1.644000      ?             ?      
1 1 1 2  7  71 o 2.776000       1.436000      ?             ?      
1 1 1 2  7  72 o 2.581000       1.440000      ?             ?      
1 1 1 2  7  73 o 2.270000       1.475000      ?             ?      
1 1 1 2  7  74 o 3.648000       1.471000      ?             ?      
1 1 1 2  7  75 o 2.957000       1.498000      ?             ?      
1 1 1 2  7  76 o 3.924000       1.733000      ?             ?      
1 1 1 2  8  0  o 67.80000       1.916000      1216.239      -0.0   
1 1 1 2  8  1  o 19.75000       0.4359000     504.6096      -162.1 
1 1 1 2  8  2  o 9.393000       0.2487000     335.0566      156.1  
1 1 1 2  8  3  o 12.32000       0.2867000     474.9539      -140.1 
1 1 1 2  8  4  o 90.41000       2.090000      1412.701      30.7   
1 1 1 2  8  5  o 7.729000       0.2772000     579.5028      -68.3  
1 1 1 2  8  6  o 23.40000       0.6207000     957.8028      145.8  
1 1 1 2  8  7  o 12.62000       0.4218000     875.8027      -168.5 
1 1 1 2  8  8  o 81.10000       1.792000      1392.954      31.3   
1 1 1 2  8  9  o 136.9000       2.736000      1564.032      -144.4 
1 1 1 2  8  10 o 8.919000       0.3557000     267.3221      -120.5 
1 1 1 2  8  11 o 13.03000       0.4318000     554.0589      15.4   
1 1 1 2  8  12 o 58.94000       1.258000      1234.112      145.1  
1 1 1 2  8  13 o 24.52000       0.7270000     691.8883      81.7   
1 1 1 2  8  14 o 10.14000       0.5721000     464.2618      -8.2   
1 1 1 2  8  15 o 15.02000       0.6001000     361.7570      -101.0 
1 1 1 2  8  16 o 1.349000       0.4124000     341.8284      -97.7  
1 1 1 2  8  17 o 6.236000       0.4629000     384.5637      93.5   
1 1 1 2  8  18 o 11.06000       0.5352000     484.7315      121.8  
1 1 1 2  8  19 o 12.32000       0.6231000     434.5618      -145.1 
1 1 1 2  8  20 o 37.72000       0.9814000     962.6155      -50.5  
1 1 1 2  8  21 o -0.1051000     0.6407000     77.37514      -156.5 
1 1 1 2  8  22 o 10.51000       0.8575000     150.0846      -60.0  
1 1 1 2  8  23 o 27.70000       0.9440000     884.1666      140.4  
1 1 1 2  8  24 o 6.804000       0.6317000     408.6363      119.7  
1 1 1 2  8  25 o 63.30000       1.770000      959.9241      -135.4 
1 1 1 2  8  26 o 31.55000       1.180000      1073.894      -105.9 
1 1 1 2  8  27 o 58.73000       1.488000      1079.947      143.9  
1 1 1 2  8  28 o 30.33000       1.168000      874.1353      170.5  
1 1 1 2  8  29 o 3.182000       0.9945000     251.9282      46.6   
1 1 1 2  8  30 o 35.45000       1.223000      635.3032      -146.1 
1 1 1 2  8  31 o 37.37000       1.447000      974.5760      -38.3  
1 1 1 2  8  32 o 10.31000       1.183000      201.9116      -37.0  
1 1 1 2  8  33 f 3.834000       1.047000      260.1394      -117.2 
1 1 1 2  8  34 o 97.46000       2.342000      1134.891      50.9   
1 1 1 2  8  35 o 15.61000       1.167000      484.7321      -82.1  
1 1 1 2  8  36 o 48.27000       1.535000      978.1850      -82.7  
1 1 1 2  8  37 o 20.26000       1.188000      613.6198      50.6   
1 1 1 2  8  38 o 12.21000       1.209000      401.7662      -141.0 
1 1 1 2  8  39 o 13.14000       1.504000      429.2230      -10.7  
1 1 1 2  8  40 o 6.902000       1.224000      431.3693      67.9   
1 1 1 2  8  41 o 30.43000       1.285000      791.6784      -147.3 
1 1 1 2  8  42 o 12.47000       1.084000      678.3292      66.6   
1 1 1 2  8  43 o 15.04000       1.103000      392.5832      -81.7  
1 1 1 2  8  44 o 17.25000       1.134000      496.1605      -89.1  
1 1 1 2  8  45 o 36.12000       1.381000      868.7529      56.4   
1 1 1 2  8  46 o 51.56000       1.620000      1049.332      -176.0 
1 1 1 2  8  47 o 18.35000       1.329000      577.1982      -67.0  
1 1 1 2  8  48 o 11.91000       1.475000      507.0515      -51.3  
1 1 1 2  8  49 o 5.194000       1.217000      311.4074      19.9   
1 1 1 2  8  50 o 7.521000       1.133000      337.2589      -145.9 
1 1 1 2  8  51 o 5.528000       1.145000      308.3611      86.6   
1 1 1 2  8  52 o 4.618000       1.180000      344.2788      45.6   
1 1 1 2  8  53 o 5.161000       1.223000      400.7196      169.5  
1 1 1 2  8  54 o 25.07000       1.432000      730.8484      6.7    
1 1 1 2  8  55 o 8.211000       1.579000      345.4078      -71.0  
1 1 1 2  8  56 o 13.38000       1.629000      424.1621      12.6   
1 1 1 2  8  57 o 28.35000       1.622000      728.0032      -172.2 
1 1 1 2  8  58 o 5.388000       1.447000      286.5883      -112.4 
1 1 1 2  8  59 o 4.668000       1.465000      316.1583      77.0   
1 1 1 2  8  60 o 6.276000       1.503000      443.6234      -16.8  
1 1 1 2  8  61 o 1.737000       1.463000      53.25683      132.9  
1 1 1 2  8  62 o 3.310000       1.648000      ?             ?      
1 1 1 2  8  63 o 3.876000       1.935000      ?             ?      
1 1 1 2  8  64 o 5.936000       1.608000      ?             ?      
1 1 1 2  8  65 o 1.171000       1.526000      ?             ?      
1 1 1 2  8  66 o 2.573000       1.589000      ?             ?      
1 1 1 2  8  67 o 0.1130000      1.592000      ?             ?      
1 1 1 2  8  68 o -1.806000      1.409000      ?             ?      
1 1 1 2  8  69 o 3.604000       1.673000      ?             ?      
1 1 1 2  8  70 o 2.048000       2.066000      ?             ?      
1 1 1 2  8  71 o 1.596000       1.645000      ?             ?      
1 1 1 2  8  72 o 0.3356000      1.446000      ?             ?      
1 1 1 2  8  73 o 5.190000       1.494000      ?             ?      
1 1 1 2  8  74 o 4.806000       1.492000      ?             ?      
1 1 1 2  8  75 o 4.563000       1.624000      ?             ?      
1 1 1 2  8  76 o 1.302000       1.892000      ?             ?      
1 1 1 2  9  0  o 10.68000       0.4127000     340.2727      180.0  
1 1 1 2  9  1  o 20.72000       0.4617000     502.4749      156.6  
1 1 1 2  9  2  o 12.12000       0.3061000     611.3852      -127.2 
1 1 1 2  9  3  o 7.698000       0.2351000     712.4003      -53.3  
1 1 1 2  9  4  o 0.3282000      0.1410000     ?             ?      
1 1 1 2  9  5  o 5.798000       0.3664000     497.1862      163.2  
1 1 1 2  9  6  o 1.783000       0.1892000     326.3602      70.1   
1 1 1 2  9  7  o 1.884000       0.2251000     122.0309      107.9  
1 1 1 2  9  8  o 9.415000       0.3961000     663.0791      47.8   
1 1 1 2  9  9  o 7.490000       0.3532000     377.8677      126.8  
1 1 1 2  9  10 o 1.650000       0.2803000     140.8586      -122.5 
1 1 1 2  9  11 o 28.74000       0.7599000     512.9238      138.7  
1 1 1 2  9  12 o 1.112000       0.3303000     318.0301      -175.8 
1 1 1 2  9  13 o 2.084000       0.3856000     289.4344      -75.1  
1 1 1 2  9  14 o 0.3926000      0.4065000     258.1590      -141.9 
1 1 1 2  9  15 f 4.386000       0.4135000     288.7388      -86.4  
1 1 1 2  9  16 o 9.908000       0.4879000     448.3170      -31.6  
1 1 1 2  9  17 o 10.01000       0.5050000     523.5940      128.8  
1 1 1 2  9  18 o 16.75000       0.6174000     506.4237      171.8  
1 1 1 2  9  19 o 8.394000       0.6493000     463.2880      61.0   
1 1 1 2  9  20 o 4.735000       0.5287000     144.3599      133.5  
1 1 1 2  9  21 o 8.657000       0.6446000     545.8946      65.2   
1 1 1 2  9  23 o 13.33000       0.7994000     516.3137      -88.9  
1 1 1 2  9  24 o 21.55000       0.9529000     459.4182      -80.5  
1 1 1 2  9  25 o 130.5000       2.997000      1480.840      -123.1 
1 1 1 2  9  26 o 91.21000       2.382000      1051.270      32.6   
1 1 1 2  9  27 o 12.31000       0.9075000     361.1119      129.9  
1 1 1 2  9  28 o 12.65000       0.8680000     608.8661      126.2  
1 1 1 2  9  29 o 42.27000       1.367000      898.0219      -107.2 
1 1 1 2  9  30 o 23.85000       1.186000      599.0618      -81.5  
1 1 1 2  9  31 o 24.33000       1.459000      640.9986      80.3   
1 1 1 2  9  32 o 18.40000       1.234000      539.3369      -136.7 
1 1 1 2  9  33 o 6.108000       1.059000      268.9115      20.0   
1 1 1 2  9  34 o 45.21000       1.498000      792.0383      -38.9  
1 1 1 2  9  35 o 47.41000       1.525000      1159.665      159.2  
1 1 1 2  9  36 o 8.094000       1.082000      160.8360      10.6   
1 1 1 2  9  37 o 25.42000       1.232000      575.7449      -149.7 
1 1 1 2  9  38 o 4.802000       1.041000      293.9300      -110.2 
1 1 1 2  9  39 o 6.927000       1.263000      278.2053      7.5    
1 1 1 2  9  40 o 12.04000       1.502000      292.2036      140.7  
1 1 1 2  9  41 o 5.960000       1.129000      167.4286      -134.3 
1 1 1 2  9  42 o 12.37000       1.085000      495.4114      -96.5  
1 1 1 2  9  43 o 5.099000       1.025000      229.1095      80.3   
1 1 1 2  9  44 o 10.45000       1.072000      270.1780      -4.0   
1 1 1 2  9  45 o 19.37000       1.175000      465.9637      45.5   
1 1 1 2  9  46 o 35.63000       1.406000      761.5507      -160.1 
1 1 1 2  9  47 o 6.266000       1.221000      311.6093      -97.9  
1 1 1 2  9  48 o 5.471000       1.226000      267.2906      -156.5 
1 1 1 2  9  49 o 10.32000       1.154000      386.6610      -177.0 
1 1 1 2  9  50 f 9.974000       1.167000      350.0228      86.8   
1 1 1 2  9  51 o 7.167000       1.166000      386.2921      -95.4  
1 1 1 2  9  52 o 13.94000       1.262000      409.3563      68.0   
1 1 1 2  9  53 o 5.283000       1.216000      263.2373      162.8  
1 1 1 2  9  54 o 5.946000       1.250000      268.8851      -167.0 
1 1 1 2  9  55 o 3.090000       1.541000      183.2782      126.5  
1 1 1 2  9  56 o 14.32000       2.136000      413.6667      98.1   
1 1 1 2  9  57 o 4.652000       1.616000      247.1600      -45.5  
1 1 1 2  9  58 o 0.6453000      1.429000      178.2918      -48.6  
1 1 1 2  9  59 o 0.5111000      1.447000      165.2015      154.0  
1 1 1 2  9  60 o 4.995000       1.482000      280.8197      -174.9 
1 1 1 2  9  61 o 3.230000       1.476000      147.5717      -78.9  
1 1 1 2  9  62 o 4.089000       1.660000      ?             ?      
1 1 1 2  9  63 o 2.877000       1.601000      ?             ?      
1 1 1 2  9  64 o 11.19000       1.489000      ?             ?      
1 1 1 2  9  65 o 3.833000       1.410000      ?             ?      
1 1 1 2  9  66 o 0.6807000      1.571000      ?             ?      
1 1 1 2  9  67 o 1.646000       1.613000      ?             ?      
1 1 1 2  9  68 o -1.056000      1.507000      ?             ?      
1 1 1 2  9  69 o 0.3360000      1.595000      ?             ?      
1 1 1 2  9  70 o 1.948000       1.677000      ?             ?      
1 1 1 2  9  71 o 0.7898000E-01  1.659000      ?             ?      
1 1 1 2  9  72 o 3.855000       1.462000      ?             ?      
1 1 1 2  9  73 o 1.169000       1.466000      ?             ?      
1 1 1 2  9  74 o 1.902000       1.484000      ?             ?      
1 1 1 2  9  75 o -0.3323000     1.689000      ?             ?      
1 1 1 2  9  76 o -0.6466000     1.886000      ?             ?      
1 1 1 2  10 0  o 0.7868000      0.2763000     159.7868      0.0    
1 1 1 2  10 1  o 8.921000       0.2775000     408.8216      -173.2 
1 1 1 2  10 2  o 2.579000       0.1854000     266.1738      -9.6   
1 1 1 2  10 3  o 2.481000       0.1623000     156.6107      -117.8 
1 1 1 2  10 4  o 8.949000       0.2812000     424.5619      25.7   
1 1 1 2  10 5  o 6.003000       0.2731000     287.0267      -176.6 
1 1 1 2  10 6  o 6.737000       0.2784000     180.2088      88.5   
1 1 1 2  10 7  o 1.734000       0.2119000     73.56162      53.1   
1 1 1 2  10 8  o 1.409000       0.2585000     87.53471      -60.7  
1 1 1 2  10 9  o 3.593000       0.3144000     235.5575      -75.3  
1 1 1 2  10 10 o 1.490000       0.2716000     204.2437      49.9   
1 1 1 2  10 11 o 1.907000       0.3029000     87.29909      165.6  
1 1 1 2  10 12 o 10.85000       0.4649000     358.2104      -164.0 
1 1 1 2  10 14 o 1.459000       0.4061000     198.6051      -105.5 
1 1 1 2  10 15 o 9.036000       0.5191000     230.0131      74.9   
1 1 1 2  10 16 o 7.243000       0.5304000     332.9605      69.3   
1 1 1 2  10 17 o 1.515000       0.4459000     94.28990      51.0   
1 1 1 2  10 18 f -0.1898000     0.4665000     310.8788      -115.5 
1 1 1 2  10 19 o 11.77000       0.6403000     212.4376      -28.2  
1 1 1 2  10 20 o 23.09000       1.143000      294.6224      -165.6 
1 1 1 2  10 21 o 18.64000       0.9879000     311.8447      33.4   
1 1 1 2  10 22 o 4.628000       0.8132000     135.7162      11.5   
1 1 1 2  10 23 o 6.164000       0.9742000     140.8297      155.7  
1 1 1 2  10 24 o 4.785000       0.8995000     340.2785      -178.2 
1 1 1 2  10 25 o 10.98000       0.7927000     337.4440      -62.2  
1 1 1 2  10 26 o 8.713000       0.7651000     362.7389      81.1   
1 1 1 2  10 27 o 26.48000       1.159000      490.7388      150.0  
1 1 1 2  10 28 o 64.19000       1.918000      832.1726      -165.0 
1 1 1 2  10 29 o 21.93000       1.006000      373.7950      -131.3 
1 1 1 2  10 30 o 2.882000       1.009000      88.91528      8.1    
1 1 1 2  10 31 o 12.44000       1.239000      466.9002      123.6  
1 1 1 2  10 32 o 18.36000       1.257000      795.6597      -7.0   
1 1 1 2  10 33 o 27.35000       1.247000      459.8718      -26.0  
1 1 1 2  10 34 o 13.33000       1.110000      393.4268      87.7   
1 1 1 2  10 35 o 39.68000       1.411000      730.0955      -44.4  
1 1 1 2  10 36 o 8.133000       1.076000      116.0041      -162.9 
1 1 1 2  10 37 o 16.58000       1.123000      515.0906      26.0   
1 1 1 2  10 38 o 6.344000       1.041000      441.6289      -62.1  
1 1 1 2  10 39 o 12.69000       1.208000      302.4258      121.7  
1 1 1 2  10 40 o 3.305000       1.435000      273.4865      33.3   
1 1 1 2  10 41 o 1.656000       1.188000      263.7220      -131.0 
1 1 1 2  10 42 o 5.639000       1.047000      204.6318      -118.4 
1 1 1 2  10 43 o 8.137000       1.057000      138.3734      -38.3  
1 1 1 2  10 44 o 4.081000       1.039000      254.4208      -69.9  
1 1 1 2  10 45 o 3.612000       1.047000      205.2437      119.4  
1 1 1 2  10 46 o 12.01000       1.419000      390.3387      170.7  
1 1 1 2  10 47 o 18.04000       1.573000      594.5217      -70.6  
1 1 1 2  10 48 o 4.281000       1.209000      325.9558      127.7  
1 1 1 2  10 49 f 8.023000       1.141000      189.6202      -26.1  
1 1 1 2  10 50 o 3.833000       1.134000      174.5709      -129.2 
1 1 1 2  10 51 o 2.935000       1.148000      136.7669      -8.8   
1 1 1 2  10 52 o 2.622000       1.185000      126.0210      91.3   
1 1 1 2  10 53 o 6.972000       1.240000      269.1866      154.5  
1 1 1 2  10 54 o 3.438000       1.244000      230.5167      -17.5  
1 1 1 2  10 55 o 2.935000       1.288000      261.3407      4.1    
1 1 1 2  10 56 o 1.562000       1.666000      195.5841      -33.8  
1 1 1 2  10 57 o -0.6576000     1.598000      147.8619      -145.1 
1 1 1 2  10 58 o -1.355000      1.431000      167.8664      76.3   
1 1 1 2  10 59 o 3.214000       1.444000      137.5105      159.8  
1 1 1 2  10 60 o 5.772000       1.479000      192.2106      -68.4  
1 1 1 2  10 61 o -1.115000      1.630000      130.0379      64.9   
1 1 1 2  10 62 o 3.036000       1.943000      ?             ?      
1 1 1 2  10 63 o 2.804000       1.618000      ?             ?      
1 1 1 2  10 64 o 1.767000       1.402000      ?             ?      
1 1 1 2  10 65 o 1.616000       1.385000      ?             ?      
1 1 1 2  10 66 o 4.283000       1.417000      ?             ?      
1 1 1 2  10 67 o 1.310000       1.407000      ?             ?      
1 1 1 2  10 68 o 1.435000       1.498000      ?             ?      
1 1 1 2  10 69 o -0.8633000     1.570000      ?             ?      
1 1 1 2  10 70 o 1.728000       1.864000      ?             ?      
1 1 1 2  10 71 o -2.661000      2.952000      ?             ?      
1 1 1 2  10 72 o 3.529000       1.904000      ?             ?      
1 1 1 2  10 73 o -1.701000      1.562000      ?             ?      
1 1 1 2  10 74 o 2.174000       1.502000      ?             ?      
1 1 1 2  10 75 o -0.7052000     1.704000      ?             ?      
1 1 1 2  10 76 o 1.925000       1.707000      ?             ?      
1 1 1 2  11 0  o -0.2181000     0.3013000     124.7204      -0.0   
1 1 1 2  11 1  o 0.8057000      0.2155000     86.26685      -49.8  
1 1 1 2  11 2  o 0.8534000      0.1988000     87.65632      166.4  
1 1 1 2  11 3  o 4.157000       0.2110000     211.8558      -32.1  
1 1 1 2  11 4  o 0.9077000      0.1558000     116.4135      -14.9  
1 1 1 2  11 5  o 0.1254000      0.1675000     362.9597      85.1   
1 1 1 2  11 6  o -0.5531000E-01 0.3434000     110.5186      111.9  
1 1 1 2  11 7  o 0.7015000      0.1518000     132.3851      92.0   
1 1 1 2  11 8  o 0.3009000      0.2643000     121.9574      104.5  
1 1 1 2  11 9  o 0.2586000      0.2851000     64.34992      128.9  
1 1 1 2  11 10 o 0.7512000      0.2620000     287.5993      -28.5  
1 1 1 2  11 11 o 1.074000       0.2970000     108.1972      175.6  
1 1 1 2  11 12 o 0.7923000      0.3462000     89.96002      100.5  
1 1 1 2  11 13 o 0.2374000      0.3823000     362.4383      -39.1  
1 1 1 2  11 14 o 2.097000       0.3791000     81.94853      89.9   
1 1 1 2  11 15 o 3.164000       0.4706000     105.0588      109.9  
1 1 1 2  11 16 o 2.005000       0.4307000     228.2526      156.6  
1 1 1 2  11 17 o 0.7388000      0.4933000     273.2746      6.0    
1 1 1 2  11 18 o 1.848000       0.5663000     173.8209      -166.8 
1 1 1 2  11 19 o 4.572000       0.7749000     137.7639      -106.5 
1 1 1 2  11 20 o 0.6871000      0.6034000     116.5887      104.9  
1 1 1 2  11 21 o 37.40000       1.438000      474.5081      127.2  
1 1 1 2  11 22 o 13.23000       0.8297000     318.8219      -117.9 
1 1 1 2  11 23 o 4.618000       0.8964000     104.4012      47.3   
1 1 1 2  11 24 o 3.373000       0.7924000     100.7011      -52.2  
1 1 1 2  11 25 o 27.35000       1.271000      308.4390      112.9  
1 1 1 2  11 26 o 13.60000       0.8923000     362.4263      -41.8  
1 1 1 2  11 27 o 15.23000       0.8827000     505.8025      110.4  
1 1 1 2  11 28 o 11.29000       0.9056000     581.1005      98.3   
1 1 1 2  11 29 o 29.90000       1.291000      483.0535      -11.8  
1 1 1 2  11 30 o 16.85000       1.336000      297.7846      -12.8  
1 1 1 2  11 31 o 13.72000       1.431000      226.7251      141.0  
1 1 1 2  11 32 o 16.57000       1.112000      491.7817      17.0   
1 1 1 2  11 33 o 36.40000       1.372000      542.5573      -176.7 
1 1 1 2  11 34 o 8.745000       1.068000      287.0785      -122.2 
1 1 1 2  11 35 o 16.86000       1.149000      398.9263      -176.6 
1 1 1 2  11 36 o 8.141000       1.065000      114.1794      -55.3  
1 1 1 2  11 37 o 4.686000       1.039000      291.2534      -25.5  
1 1 1 2  11 38 o 9.422000       1.057000      303.8062      -118.7 
1 1 1 2  11 39 o 11.33000       1.077000      330.9133      80.7   
1 1 1 2  11 40 o 11.15000       1.285000      451.2612      49.3   
1 1 1 2  11 41 o 2.624000       1.418000      60.33646      -73.6  
1 1 1 2  11 42 o 5.581000       1.133000      248.9941      138.7  
1 1 1 2  11 43 o 4.138000       1.025000      198.4727      14.7   
1 1 1 2  11 44 o 8.385000       1.069000      208.3469      -109.9 
1 1 1 2  11 45 o 3.294000       1.059000      230.2810      -36.4  
1 1 1 2  11 46 o 10.14000       1.258000      346.8925      -7.2   
1 1 1 2  11 47 o 2.400000       1.221000      207.4663      175.9  
1 1 1 2  11 48 o 2.574000       1.107000      62.11134      -128.7 
1 1 1 2  11 49 o 4.701000       1.130000      117.1724      135.1  
1 1 1 2  11 50 o 6.104000       1.154000      261.3459      73.7   
1 1 1 2  11 51 o 4.833000       1.172000      152.9169      80.9   
1 1 1 2  11 52 o 14.32000       1.295000      350.6784      -153.8 
1 1 1 2  11 53 o 5.005000       1.225000      148.2492      -124.2 
1 1 1 2  11 54 o 2.784000       1.241000      209.5260      161.5  
1 1 1 2  11 55 o 2.437000       1.274000      136.4224      103.2  
1 1 1 2  11 56 o 3.949000       1.623000      155.5818      -109.9 
1 1 1 2  11 57 o 4.460000       2.103000      232.3616      -25.6  
1 1 1 2  11 58 o 4.251000       1.536000      228.0485      -66.6  
1 1 1 2  11 59 o 2.226000       1.443000      199.0577      88.9   
1 1 1 2  11 60 o 1.099000       1.455000      103.3607      146.5  
1 1 1 2  11 61 o -3.426000      1.630000      ?             ?      
1 1 1 2  11 62 o 4.384000       1.689000      ?             ?      
1 1 1 2  11 63 o 0.1792000      1.413000      ?             ?      
1 1 1 2  11 64 o 1.028000       1.387000      ?             ?      
1 1 1 2  11 65 o 1.598000       1.365000      ?             ?      
1 1 1 2  11 66 o 0.8765000      1.370000      ?             ?      
1 1 1 2  11 67 o 2.489000       1.400000      ?             ?      
1 1 1 2  11 68 o 0.2692000E-01  1.372000      ?             ?      
1 1 1 2  11 69 o -1.769000      1.368000      ?             ?      
1 1 1 2  11 70 o -2.360000      1.495000      ?             ?      
1 1 1 2  11 71 o -0.9658000     2.042000      ?             ?      
1 1 1 2  11 72 o -1.712000      2.222000      ?             ?      
1 1 1 2  11 73 o 4.289000       1.691000      ?             ?      
1 1 1 2  11 74 o 1.832000       1.673000      ?             ?      
1 1 1 2  11 75 o 3.028000       2.042000      ?             ?      
1 1 1 2  11 76 o -0.8367000E-01 1.689000      ?             ?      
1 1 1 2  12 0  o 13.53000       0.5434000     712.3185      -0.0   
1 1 1 2  12 1  o 3.456000       0.2515000     292.7625      168.5  
1 1 1 2  12 2  o 10.70000       0.3280000     491.4013      90.5   
1 1 1 2  12 3  o 0.5448000      0.1970000     34.70152      152.6  
1 1 1 2  12 4  o 6.775000       0.2471000     474.0510      -115.1 
1 1 1 2  12 5  o 8.703000       0.4765000     546.1340      -62.4  
1 1 1 2  12 6  o -0.3852000     0.3511000     264.0227      61.2   
1 1 1 2  12 7  o 0.8706000E-01  0.3912000     159.4779      177.9  
1 1 1 2  12 8  o 2.961000       0.2738000     297.8352      -110.6 
1 1 1 2  12 9  o 1.199000       0.2815000     225.7158      -90.6  
1 1 1 2  12 10 o 2.070000       0.2539000     95.30068      1.2    
1 1 1 2  12 11 o 0.1090000      0.2990000     115.9343      -49.4  
1 1 1 2  12 12 o 0.8753000      0.3684000     243.2000      70.8   
1 1 1 2  12 13 o 6.118000       0.5164000     434.7409      120.9  
1 1 1 2  12 14 o 0.9292000      0.4938000     174.1716      -151.1 
1 1 1 2  12 15 o 4.882000       0.5120000     525.6324      -83.4  
1 1 1 2  12 16 o 3.189000       0.4839000     308.1955      149.0  
1 1 1 2  12 17 o 2.586000       0.4716000     299.3159      -39.6  
1 1 1 2  12 18 f 0.6783000      0.6004000     100.1975      -16.7  
1 1 1 2  12 19 o 2.524000       0.5901000     146.8760      -152.7 
1 1 1 2  12 20 o 3.830000       0.6907000     253.3890      -75.9  
1 1 1 2  12 21 o 9.405000       0.9277000     348.3203      -91.4  
1 1 1 2  12 22 o 16.60000       0.8883000     713.6844      -162.1 
1 1 1 2  12 23 o 23.29000       1.132000      567.8889      -139.3 
1 1 1 2  12 25 o 11.20000       1.136000      145.2076      -107.8 
1 1 1 2  12 26 o 24.52000       1.167000      705.0077      168.1  
1 1 1 2  12 27 o 32.34000       1.117000      747.8710      121.8  
1 1 1 2  12 28 o 37.88000       1.615000      477.7282      71.8   
1 1 1 2  12 29 o 10.31000       1.063000      184.2840      -36.5  
1 1 1 2  12 30 o 7.056000       1.187000      283.4171      159.2  
1 1 1 2  12 31 o 9.354000       1.051000      190.3191      71.6   
1 1 1 2  12 32 o 9.774000       1.068000      394.7260      -152.0 
1 1 1 2  12 33 o 14.11000       1.115000      297.2847      -47.1  
1 1 1 2  12 34 o 27.48000       1.230000      752.1661      -75.3  
1 1 1 2  12 35 o 24.26000       1.204000      579.6830      -155.1 
1 1 1 2  12 36 o 20.21000       1.158000      589.7621      -173.0 
1 1 1 2  12 37 o 23.70000       1.192000      469.9360      -11.2  
1 1 1 2  12 38 f 7.193000       1.045000      370.9058      32.9   
1 1 1 2  12 39 o 9.268000       1.064000      545.6199      61.5   
1 1 1 2  12 40 o 9.739000       1.178000      551.4467      -35.7  
1 1 1 2  12 41 o 5.905000       1.461000      281.8131      -124.0 
1 1 1 2  12 42 o 3.332000       1.206000      326.1497      160.5  
1 1 1 2  12 43 o 7.035000       1.061000      375.1109      -61.6  
1 1 1 2  12 44 o 23.85000       1.237000      739.0223      163.2  
1 1 1 2  12 45 o 23.78000       1.404000      570.5089      137.5  
1 1 1 2  12 46 o 10.32000       1.466000      390.6593      177.5  
1 1 1 2  12 47 o 3.737000       1.224000      74.57413      -161.1 
1 1 1 2  12 48 o 7.296000       1.191000      358.9604      123.6  
1 1 1 2  12 49 o 1.604000       1.107000      99.72760      83.3   
1 1 1 2  12 50 o 1.495000       1.125000      114.6630      -72.2  
1 1 1 2  12 51 o 6.177000       1.198000      281.6610      -26.5  
1 1 1 2  12 52 o 10.25000       1.257000      434.0511      -154.7 
1 1 1 2  12 53 o 4.715000       1.224000      268.4729      -21.1  
1 1 1 2  12 54 o 4.158000       1.257000      285.1025      -47.9  
1 1 1 2  12 55 o 4.585000       1.280000      274.0583      -19.3  
1 1 1 2  12 56 o 0.5882000      1.466000      126.5102      -133.9 
1 1 1 2  12 57 o 3.658000       1.932000      193.5772      -55.1  
1 1 1 2  12 58 o 2.700000       1.636000      106.2023      -148.4 
1 1 1 2  12 59 o 1.525000       1.454000      196.0904      -174.8 
1 1 1 2  12 60 o 10.69000       1.717000      377.8230      -119.6 
1 1 1 2  12 61 o 0.2019000      1.934000      ?             ?      
1 1 1 2  12 62 o 2.463000       1.645000      ?             ?      
1 1 1 2  12 63 o -0.2714000E-01 1.400000      ?             ?      
1 1 1 2  12 64 o 3.945000       1.391000      ?             ?      
1 1 1 2  12 65 o 1.440000       1.366000      ?             ?      
1 1 1 2  12 66 o 2.110000       1.366000      ?             ?      
1 1 1 2  12 67 o 5.451000       1.426000      ?             ?      
1 1 1 2  12 68 o 1.776000       1.382000      ?             ?      
1 1 1 2  12 69 o 1.930000       1.378000      ?             ?      
1 1 1 2  12 70 o 4.595000       1.435000      ?             ?      
1 1 1 2  12 71 o 3.480000       1.685000      ?             ?      
1 1 1 2  12 72 o -0.6528000     2.355000      ?             ?      
1 1 1 2  12 73 o 2.032000       2.402000      ?             ?      
1 1 1 2  12 74 o 2.850000       1.858000      ?             ?      
1 1 1 2  12 75 o 1.416000       2.005000      ?             ?      
1 1 1 2  12 76 o 1.888000       1.717000      ?             ?      
1 1 1 2  13 0  o 8.021000       0.4491000     198.5195      -0.0   
1 1 1 2  13 1  o 18.44000       0.4737000     564.5176      -95.2  
1 1 1 2  13 2  o 22.34000       0.5349000     941.3527      -61.6  
1 1 1 2  13 3  o 35.31000       0.7674000     866.0808      60.8   
1 1 1 2  13 4  o 16.18000       0.4154000     468.6787      -4.7   
1 1 1 2  13 5  o -0.2892000     0.1795000     277.9140      161.9  
1 1 1 2  13 6  o 6.387000       0.3162000     438.0978      16.3   
1 1 1 2  13 7  o 3.305000       0.3987000     481.2005      -5.3   
1 1 1 2  13 8  o 1.628000       0.2306000     311.3749      53.5   
1 1 1 2  13 9  o 1.201000       0.2847000     329.8918      -62.5  
1 1 1 2  13 10 o -0.1154000E-01 0.3115000     141.9868      156.4  
1 1 1 2  13 11 o 8.910000       0.4840000     584.4995      -133.1 
1 1 1 2  13 12 o 17.68000       0.7808000     614.2925      -71.4  
1 1 1 2  13 13 o 6.448000       0.4678000     327.6137      -64.0  
1 1 1 2  13 14 o 5.985000       0.4644000     291.6985      -152.1 
1 1 1 2  13 15 o 1.848000       0.4775000     332.2474      29.3   
1 1 1 2  13 16 o 40.49000       1.174000      1154.966      134.9  
1 1 1 2  13 17 o 75.80000       1.927000      1142.234      158.1  
1 1 1 2  13 18 o 21.42000       0.9513000     830.7336      -63.2  
1 1 1 2  13 19 o 33.50000       1.009000      502.8502      165.2  
1 1 1 2  13 20 o 5.230000       0.5657000     120.1621      32.5   
1 1 1 2  13 21 o 20.39000       0.9201000     741.0853      171.1  
1 1 1 2  13 22 o 43.83000       1.367000      1037.231      -88.1  
1 1 1 2  13 23 o 26.34000       0.9873000     743.7611      117.6  
1 1 1 2  13 24 o 18.83000       1.224000      488.9676      -20.3  
1 1 1 2  13 25 o 32.11000       1.263000      774.8652      126.4  
1 1 1 2  13 26 o 105.4000       2.834000      1453.330      -73.9  
1 1 1 2  13 27 o 125.9000       2.969000      1467.663      100.1  
1 1 1 2  13 28 o 58.61000       1.774000      792.3894      61.5   
1 1 1 2  13 29 o 43.32000       1.799000      820.3154      -18.8  
1 1 1 2  13 30 o 41.71000       1.562000      761.5566      5.8    
1 1 1 2  13 31 f 20.77000       1.152000      554.1669      7.9    
1 1 1 2  13 32 o 3.110000       1.046000      119.9199      57.8   
1 1 1 2  13 33 o 46.57000       1.491000      949.6912      -109.4 
1 1 1 2  13 34 o 47.26000       1.499000      904.1150      -76.4  
1 1 1 2  13 35 o 4.819000       1.035000      225.7910      -126.6 
1 1 1 2  13 36 o 64.51000       1.764000      1221.782      26.0   
1 1 1 2  13 37 o 43.01000       1.450000      679.0679      128.4  
1 1 1 2  13 38 o 12.23000       1.074000      347.3309      48.1   
1 1 1 2  13 39 o 16.54000       1.115000      694.3138      50.6   
1 1 1 2  13 40 o 33.41000       1.312000      667.7034      -4.7   
1 1 1 2  13 41 o 14.95000       1.342000      631.1497      46.6   
1 1 1 2  13 42 o 1.376000       1.416000      93.74139      161.5  
1 1 1 2  13 43 o 32.71000       1.461000      802.6056      -121.0 
1 1 1 2  13 44 o 3.844000       1.057000      224.6702      -40.2  
1 1 1 2  13 45 o 20.41000       1.363000      420.5039      -91.1  
1 1 1 2  13 46 o 5.924000       1.239000      298.6248      -1.9   
1 1 1 2  13 47 o 8.198000       1.198000      243.0760      -63.0  
1 1 1 2  13 48 o 21.77000       1.267000      698.8964      146.5  
1 1 1 2  13 49 o 3.771000       1.112000      281.5714      -24.4  
1 1 1 2  13 50 o 9.750000       1.177000      410.6339      -36.0  
1 1 1 2  13 51 o 29.81000       1.431000      637.2775      -73.1  
1 1 1 2  13 52 o 19.75000       1.346000      494.0483      157.6  
1 1 1 2  13 53 f 4.263000       1.236000      237.9132      -21.7  
1 1 1 2  13 54 o 9.555000       1.284000      503.5116      113.7  
1 1 1 2  13 55 o 3.182000       1.280000      260.8944      -52.0  
1 1 1 2  13 56 o 6.305000       1.365000      430.2592      40.4   
1 1 1 2  13 57 o 3.133000       1.693000      135.8887      12.5   
1 1 1 2  13 58 o 0.3337000      1.937000      115.2100      121.5  
1 1 1 2  13 59 o 9.579000       1.605000      481.0258      6.3    
1 1 1 2  13 60 o 3.290000       1.641000      141.7291      130.3  
1 1 1 2  13 61 o 3.006000       1.658000      ?             ?      
1 1 1 2  13 62 o 4.941000       1.465000      ?             ?      
1 1 1 2  13 63 o -0.1897000E-01 1.388000      ?             ?      
1 1 1 2  13 64 o 0.9252000      1.364000      ?             ?      
1 1 1 2  13 65 o 3.037000       1.354000      ?             ?      
1 1 1 2  13 66 o 1.971000       1.372000      ?             ?      
1 1 1 2  13 67 o 0.7015000      1.380000      ?             ?      
1 1 1 2  13 68 o 3.847000       1.377000      ?             ?      
1 1 1 2  13 69 o 4.060000       1.404000      ?             ?      
1 1 1 2  13 70 o 0.3096000      1.397000      ?             ?      
1 1 1 2  13 71 o 2.183000       1.812000      ?             ?      
1 1 1 2  13 72 o -2.325000      1.901000      ?             ?      
1 1 1 2  13 73 o 3.551000       2.038000      ?             ?      
1 1 1 2  13 74 o 3.808000       2.012000      ?             ?      
1 1 1 2  13 75 o 0.6260000      1.686000      ?             ?      
1 1 1 2  14 0  o 11.30000       0.5286000     578.0067      -0.0   
1 1 1 2  14 1  o 8.102000       0.3303000     478.6975      161.7  
1 1 1 2  14 2  o 52.89000       1.107000      902.4595      80.9   
1 1 1 2  14 3  o 0.8606000      0.2421000     234.6307      113.8  
1 1 1 2  14 4  o 1.413000       0.2201000     139.1541      164.0  
1 1 1 2  14 5  o 65.81000       1.349000      1492.014      42.4   
1 1 1 2  14 6  o 30.47000       0.8138000     672.0640      153.2  
1 1 1 2  14 7  o 26.66000       0.8243000     853.3594      -126.3 
1 1 1 2  14 8  o 3.433000       0.2666000     328.8479      -49.0  
1 1 1 2  14 9  o 11.85000       0.5947000     260.6793      159.4  
1 1 1 2  14 10 o 18.64000       0.9750000     681.6251      -1.6   
1 1 1 2  14 11 o 7.632000       0.4990000     372.9615      53.1   
1 1 1 2  14 12 o 16.56000       0.7290000     897.0567      -22.0  
1 1 1 2  14 13 o 9.725000       0.5381000     439.4098      -94.0  
1 1 1 2  14 14 o 10.46000       0.5143000     758.5078      -73.9  
1 1 1 2  14 15 o 53.41000       1.202000      1275.234      -125.8 
1 1 1 2  14 16 o 76.98000       1.796000      1308.604      -114.3 
1 1 1 2  14 17 o 21.01000       0.6849000     268.0639      -79.0  
1 1 1 2  14 18 o 20.55000       0.6956000     612.0785      -117.8 
1 1 1 2  14 19 o 13.69000       0.6322000     471.2249      -24.1  
1 1 1 2  14 20 o 68.83000       1.554000      1393.689      -118.0 
1 1 1 2  14 21 o 7.524000       0.6257000     182.2615      107.1  
1 1 1 2  14 22 o 31.36000       0.9618000     1127.990      -99.6  
1 1 1 2  14 23 o 64.31000       1.809000      950.8565      -16.3  
1 1 1 2  14 24 o 251.4000       5.898000      2105.831      -66.4  
1 1 1 2  14 25 o 45.01000       1.738000      761.8141      -172.9 
1 1 1 2  14 26 o 86.68000       2.173000      1455.781      -178.2 
1 1 1 2  14 27 o 88.86000       2.069000      1217.926      10.7   
1 1 1 2  14 28 o 58.26000       1.775000      1152.732      60.7   
1 1 1 2  14 29 o 15.08000       1.237000      533.2934      66.6   
1 1 1 2  14 30 o 18.28000       1.125000      432.2154      178.5  
1 1 1 2  14 31 o 6.979000       1.057000      276.8533      30.8   
1 1 1 2  14 32 o 158.1000       3.432000      1782.769      -20.6  
1 1 1 2  14 33 o 41.94000       1.419000      1048.589      -6.5   
1 1 1 2  14 34 o 8.536000       1.111000      524.5727      136.8  
1 1 1 2  14 35 o 68.36000       1.840000      1042.637      59.7   
1 1 1 2  14 36 o 37.85000       1.371000      786.9048      -39.3  
1 1 1 2  14 37 o 48.03000       1.519000      777.1699      16.7   
1 1 1 2  14 38 o 4.863000       1.021000      403.5528      162.3  
1 1 1 2  14 39 o 96.27000       2.322000      1626.717      114.2  
1 1 1 2  14 40 o 15.94000       1.116000      466.0907      -55.0  
1 1 1 2  14 41 o 9.833000       1.184000      353.0349      -96.7  
1 1 1 2  14 42 o 12.36000       1.548000      459.1027      -70.8  
1 1 1 2  14 43 o 1.269000       1.199000      83.33293      56.4   
1 1 1 2  14 44 o 6.384000       1.192000      294.4757      79.3   
1 1 1 2  14 45 o 16.24000       1.503000      605.8377      99.8   
1 1 1 2  14 46 o 3.194000       1.192000      277.4521      -142.9 
1 1 1 2  14 47 o 8.252000       1.122000      314.4475      178.4  
1 1 1 2  14 48 o 21.61000       1.259000      584.2487      140.9  
1 1 1 2  14 49 o 3.525000       1.112000      262.0686      7.0    
1 1 1 2  14 50 o 11.85000       1.200000      570.8581      -33.4  
1 1 1 2  14 51 o 11.24000       1.219000      444.7907      -124.3 
1 1 1 2  14 52 o 4.592000       1.204000      156.6281      -23.9  
1 1 1 2  14 53 o 19.34000       1.360000      591.3298      -121.7 
1 1 1 2  14 54 o 9.634000       1.297000      362.4469      47.2   
1 1 1 2  14 55 o 9.213000       1.338000      365.0635      -160.8 
1 1 1 2  14 56 o 9.593000       1.392000      358.2214      -160.6 
1 1 1 2  14 57 o 11.35000       1.602000      369.3722      168.2  
1 1 1 2  14 58 o 3.645000       1.977000      188.3199      127.4  
1 1 1 2  14 59 o 6.121000       1.889000      417.1754      -122.3 
1 1 1 2  14 60 o 2.544000       1.802000      107.3124      66.2   
1 1 1 2  14 61 o 2.286000       1.616000      ?             ?      
1 1 1 2  14 62 o 1.814000       1.402000      ?             ?      
1 1 1 2  14 63 o 2.738000       1.398000      ?             ?      
1 1 1 2  14 64 o 3.985000       1.374000      ?             ?      
1 1 1 2  14 65 o 3.704000       1.359000      ?             ?      
1 1 1 2  14 66 o 1.906000       1.395000      ?             ?      
1 1 1 2  14 67 o 1.648000       1.381000      ?             ?      
1 1 1 2  14 68 o 3.714000       1.389000      ?             ?      
1 1 1 2  14 69 o 4.726000       1.409000      ?             ?      
1 1 1 2  14 70 o 2.756000       1.410000      ?             ?      
1 1 1 2  14 71 o 2.646000       1.410000      ?             ?      
1 1 1 2  14 72 o 4.062000       1.686000      ?             ?      
1 1 1 2  14 73 o 2.003000       2.585000      ?             ?      
1 1 1 2  14 74 o -2.363000      1.673000      ?             ?      
1 1 1 2  14 75 o 2.491000       1.487000      ?             ?      
1 1 1 2  15 0  o 167.3000       4.694000      1890.639      180.0  
1 1 1 2  15 1  o 2.151000       0.2930000     259.0963      -116.9 
1 1 1 2  15 2  o 4.621000       0.3053000     312.7466      135.5  
1 1 1 2  15 3  o 23.97000       0.5809000     756.6714      156.2  
1 1 1 2  15 4  o 116.9000       2.343000      1374.510      -59.7  
1 1 1 2  15 5  o 7.716000       0.3049000     118.7131      -133.9 
1 1 1 2  15 6  o 20.51000       0.6535000     946.3410      -163.2 
1 1 1 2  15 7  o 6.844000       0.8477000     319.8582      141.5  
1 1 1 2  15 8  o 45.68000       1.483000      982.7016      -30.8  
1 1 1 2  15 9  o 5.054000       0.3174000     510.0202      -67.0  
1 1 1 2  15 10 o 22.21000       0.8416000     875.1165      -48.3  
1 1 1 2  15 11 o 6.996000       0.4806000     852.4390      33.5   
1 1 1 2  15 12 o 18.81000       0.6070000     815.7997      -145.1 
1 1 1 2  15 13 o 17.95000       0.5348000     722.7645      74.8   
1 1 1 2  15 14 o 33.16000       0.8178000     792.1779      15.2   
1 1 1 2  15 15 o 31.47000       0.8079000     817.6379      -0.6   
1 1 1 2  15 16 o 73.03000       1.579000      1035.393      168.2  
1 1 1 2  15 17 o 32.42000       0.9556000     723.0619      -79.0  
1 1 1 2  15 18 o 57.66000       1.326000      995.1949      39.0   
1 1 1 2  15 19 o 23.45000       0.7684000     725.5258      -139.2 
1 1 1 2  15 20 o 10.04000       0.6164000     568.7817      -162.3 
1 1 1 2  15 21 o 25.58000       0.8535000     771.7845      37.9   
1 1 1 2  15 22 o 50.12000       1.370000      900.1635      13.1   
1 1 1 2  15 23 o 142.7000       3.000000      1635.124      -27.3  
1 1 1 2  15 24 o 37.69000       1.237000      939.2517      -55.8  
1 1 1 2  15 25 o 60.12000       2.085000      1266.360      -145.0 
1 1 1 2  15 26 o 119.1000       3.031000      1495.154      53.5   
1 1 1 2  15 27 o 12.57000       1.029000      575.2986      49.2   
1 1 1 2  15 28 o 39.93000       1.701000      877.0081      -38.3  
1 1 1 2  15 29 o 137.8000       3.467000      1419.133      32.0   
1 1 1 2  15 30 o 36.09000       1.317000      738.3810      174.6  
1 1 1 2  15 31 o 167.6000       3.589000      1703.419      107.1  
1 1 1 2  15 32 o 5.836000       1.032000      206.7825      -171.0 
1 1 1 2  15 33 o 33.87000       1.287000      807.0386      -136.8 
1 1 1 2  15 34 o 9.563000       1.050000      260.8543      -23.3  
1 1 1 2  15 35 o 51.81000       1.558000      1306.264      47.8   
1 1 1 2  15 36 o 69.62000       1.987000      964.9851      105.4  
1 1 1 2  15 37 o 54.97000       1.622000      788.5854      148.0  
1 1 1 2  15 38 o 59.31000       1.685000      1172.075      -92.2  
1 1 1 2  15 39 o 17.42000       1.113000      520.7260      40.1   
1 1 1 2  15 40 o 42.23000       1.435000      885.7155      -150.5 
1 1 1 2  15 41 o 13.96000       1.091000      506.0951      68.1   
1 1 1 2  15 42 o 3.738000       1.266000      218.9870      -153.1 
1 1 1 2  15 43 o 0.8357000      1.461000      323.6910      -114.6 
1 1 1 2  15 44 o 18.69000       1.487000      401.7471      -178.7 
1 1 1 2  15 45 o 21.02000       1.506000      665.8212      -141.9 
1 1 1 2  15 46 o 18.25000       1.203000      496.1810      -91.8  
1 1 1 2  15 47 o 6.100000       1.097000      346.8403      -69.0  
1 1 1 2  15 48 o 8.173000       1.124000      496.0557      69.0   
1 1 1 2  15 49 o 5.410000       1.124000      284.9466      -70.3  
1 1 1 2  15 50 o 13.98000       1.223000      471.9607      -154.7 
1 1 1 2  15 51 o 7.784000       1.199000      297.9106      -110.3 
1 1 1 2  15 52 o 4.808000       1.201000      240.1131      178.4  
1 1 1 2  15 53 o 10.14000       1.282000      331.5678      -71.2  
1 1 1 2  15 54 o 9.012000       1.305000      454.9031      -67.9  
1 1 1 2  15 55 o 2.440000       1.318000      94.60233      153.0  
1 1 1 2  15 56 o 14.15000       1.452000      443.4518      29.0   
1 1 1 2  15 57 o 17.01000       1.515000      569.9655      176.3  
1 1 1 2  15 58 o -0.5155000     1.728000      86.33290      8.8    
1 1 1 2  15 59 f 14.06000       2.802000      538.8330      23.3   
1 1 1 2  15 60 o 4.192000       1.867000      ?             ?      
1 1 1 2  15 61 o 2.918000       1.439000      ?             ?      
1 1 1 2  15 62 o 6.968000       1.427000      ?             ?      
1 1 1 2  15 63 o 6.981000       1.406000      ?             ?      
1 1 1 2  15 64 o 2.086000       1.367000      ?             ?      
1 1 1 2  15 65 o 7.380000       1.401000      ?             ?      
1 1 1 2  15 67 o 3.421000       1.378000      ?             ?      
1 1 1 2  15 68 o 7.308000       1.414000      ?             ?      
1 1 1 2  15 69 o 1.596000       1.388000      ?             ?      
1 1 1 2  15 70 o 3.668000       1.422000      ?             ?      
1 1 1 2  15 71 o -1.790000      1.412000      ?             ?      
1 1 1 2  15 72 o 3.941000       1.871000      ?             ?      
1 1 1 2  15 74 o -0.3186000     2.562000      ?             ?      
1 1 1 2  15 75 o 1.303000       1.470000      ?             ?      
1 1 1 2  16 0  o 2.611000       0.4464000     24.57953      180.0  
1 1 1 2  16 1  o 2.444000       0.3130000     150.0486      -35.3  
1 1 1 2  16 2  o 37.61000       0.8376000     783.1142      41.0   
1 1 1 2  16 3  o 2.827000       0.2919000     184.0849      -129.9 
1 1 1 2  16 4  o 28.52000       0.7348000     586.8998      -60.2  
1 1 1 2  16 5  o 66.76000       1.610000      1478.936      -25.9  
1 1 1 2  16 6  o 8.936000       0.3110000     255.6023      -104.8 
1 1 1 2  16 7  o 79.86000       2.012000      1194.264      37.5   
1 1 1 2  16 8  o 26.84000       0.8526000     602.2980      102.4  
1 1 1 2  16 9  o 13.02000       0.7897000     383.3885      -26.1  
1 1 1 2  16 10 o 41.75000       1.701000      833.9695      -28.9  
1 1 1 2  16 11 o 45.40000       1.286000      1022.924      -12.2  
1 1 1 2  16 12 o 116.5000       2.570000      1700.210      135.4  
1 1 1 2  16 13 o 24.74000       0.6519000     622.5338      -85.1  
1 1 1 2  16 14 o 21.53000       0.6165000     768.2451      104.4  
1 1 1 2  16 15 o 131.4000       2.674000      1658.502      -117.6 
1 1 1 2  16 16 o 64.15000       1.406000      1057.739      -75.6  
1 1 1 2  16 17 o 117.2000       2.428000      1437.405      172.8  
1 1 1 2  16 18 o 38.31000       0.9763000     859.6304      -87.2  
1 1 1 2  16 19 o 61.00000       1.398000      1315.308      151.1  
1 1 1 2  16 20 o 78.39000       1.739000      1469.411      100.5  
1 1 1 2  16 21 o 53.76000       1.308000      1011.398      26.3   
1 1 1 2  16 22 o 62.41000       1.491000      1349.097      -9.1   
1 1 1 2  16 23 o 11.10000       0.7909000     759.8546      43.5   
1 1 1 2  16 24 o 38.12000       1.144000      1224.863      -55.6  
1 1 1 2  16 25 o 33.50000       1.364000      517.9699      -58.4  
1 1 1 2  16 26 o 18.46000       1.419000      462.1021      -36.4  
1 1 1 2  16 27 o 56.94000       1.973000      858.7733      131.1  
1 1 1 2  16 28 o 100.9000       3.165000      1373.974      131.9  
1 1 1 2  16 29 o 220.9000       4.603000      2082.978      -147.5 
1 1 1 2  16 30 o 119.9000       2.697000      1758.645      -137.9 
1 1 1 2  16 31 o 132.5000       2.936000      1766.628      -22.2  
1 1 1 2  16 32 o 163.9000       3.510000      1824.317      -27.5  
1 1 1 2  16 33 o 55.23000       1.600000      1139.146      11.3   
1 1 1 2  16 34 o 34.50000       1.304000      673.4933      1.7    
1 1 1 2  16 35 o 8.962000       1.036000      292.9688      48.2   
1 1 1 2  16 36 o 101.8000       2.390000      1507.366      -48.9  
1 1 1 2  16 37 o 30.57000       1.257000      770.5165      104.1  
1 1 1 2  16 38 o 25.36000       1.180000      789.4116      143.3  
1 1 1 2  16 39 o 59.04000       1.674000      1198.845      -34.0  
1 1 1 2  16 40 o 6.638000       1.018000      347.0483      -76.2  
1 1 1 2  16 41 o 4.234000       1.008000      451.5988      -58.0  
1 1 1 2  16 42 o 23.35000       1.338000      721.6594      -27.6  
1 1 1 2  16 44 o 14.39000       2.026000      630.4010      -80.2  
1 1 1 2  16 45 o 8.204000       1.233000      369.7437      -110.6 
1 1 1 2  16 46 o 12.94000       1.133000      529.7107      -33.7  
1 1 1 2  16 47 o 3.672000       1.078000      296.4600      135.2  
1 1 1 2  16 48 o 15.26000       1.186000      623.8364      -32.1  
1 1 1 2  16 49 o 20.42000       1.273000      693.6187      -10.9  
1 1 1 2  16 50 o 73.87000       2.077000      1338.079      -40.3  
1 1 1 2  16 51 o 1.414000       1.170000      19.11327      0.5    
1 1 1 2  16 52 o 47.07000       1.700000      1043.224      -9.0   
1 1 1 2  16 53 o 14.52000       1.318000      595.4549      -57.2  
1 1 1 2  16 54 o 8.196000       1.302000      450.8081      21.3   
1 1 1 2  16 55 o 31.94000       1.604000      827.2394      -172.9 
1 1 1 2  16 56 o 9.771000       1.408000      448.0571      -159.9 
1 1 1 2  16 57 o 13.23000       1.495000      394.7234      2.1    
1 1 1 2  16 58 o 3.324000       1.630000      256.6190      -75.7  
1 1 1 2  16 59 o 4.698000       2.821000      287.4468      163.3  
1 1 1 2  16 60 o 2.686000       1.953000      ?             ?      
1 1 1 2  16 61 o 4.823000       1.415000      ?             ?      
1 1 1 2  16 62 o 12.21000       1.447000      ?             ?      
1 1 1 2  16 63 o 5.746000       1.371000      ?             ?      
1 1 1 2  16 64 o 2.614000       1.344000      ?             ?      
1 1 1 2  16 65 o 1.339000       1.369000      ?             ?      
1 1 1 2  16 66 o 2.285000       1.370000      ?             ?      
1 1 1 2  16 67 o 3.895000       1.360000      ?             ?      
1 1 1 2  16 68 o 1.353000       1.367000      ?             ?      
1 1 1 2  16 69 o -0.5015000     1.379000      ?             ?      
1 1 1 2  16 70 o 6.411000       1.451000      ?             ?      
1 1 1 2  16 71 o 3.764000       1.422000      ?             ?      
1 1 1 2  16 72 o 2.511000       1.622000      ?             ?      
1 1 1 2  16 73 o -0.7924000     2.067000      ?             ?      
1 1 1 2  16 74 o -2.121000      1.710000      ?             ?      
1 1 1 2  16 75 o 1.514000       1.486000      ?             ?      
1 1 1 2  17 0  o 3.174000       0.4885000     225.1983      -180.0 
1 1 1 2  17 1  o 36.51000       0.9613000     1265.165      50.5   
1 1 1 2  17 2  o 69.91000       1.879000      1129.683      161.6  
1 1 1 2  17 3  o 3.360000       0.3489000     305.3822      90.3   
1 1 1 2  17 4  o 56.45000       1.299000      1131.717      -64.5  
1 1 1 2  17 5  o 3.894000       0.3868000     115.9614      174.2  
1 1 1 2  17 6  o 40.14000       0.9567000     836.2654      165.2  
1 1 1 2  17 7  o 131.8000       3.426000      1486.871      104.0  
1 1 1 2  17 8  o 26.43000       0.8971000     615.0407      -24.0  
1 1 1 2  17 9  o 49.93000       1.876000      1035.761      -165.2 
1 1 1 2  17 10 o 9.254000       0.4589000     786.9964      -14.7  
1 1 1 2  17 11 o 22.91000       0.6759000     710.5505      -174.7 
1 1 1 2  17 12 o 17.10000       0.6379000     464.3550      -107.5 
1 1 1 2  17 13 o 39.83000       1.114000      886.8701      -16.4  
1 1 1 2  17 14 o 95.61000       1.981000      1601.438      -32.6  
1 1 1 2  17 15 o 241.1000       4.805000      2093.947      -143.6 
1 1 1 2  17 16 o 20.42000       0.6343000     518.2289      -165.9 
1 1 1 2  17 17 o 67.70000       1.491000      1163.456      148.6  
1 1 1 2  17 18 o 150.2000       3.068000      1654.652      -82.5  
1 1 1 2  17 19 o 420.2000       8.315000      2818.459      -87.1  
1 1 1 2  17 20 o 44.90000       1.154000      957.9088      -149.2 
1 1 1 2  17 21 o 84.41000       1.876000      1248.879      69.3   
1 1 1 2  17 22 o 173.5000       3.567000      1754.522      -19.0  
1 1 1 2  17 23 o 105.5000       2.304000      1337.633      166.6  
1 1 1 2  17 24 o 71.82000       1.706000      1028.786      127.2  
1 1 1 2  17 25 o 38.78000       1.327000      594.4432      -153.3 
1 1 1 2  17 26 o 122.9000       5.394000      1276.728      -33.7  
1 1 1 2  17 27 o 124.1000       5.315000      1479.190      -53.0  
1 1 1 2  17 28 o 214.2000       5.101000      1944.581      -17.1  
1 1 1 2  17 29 o 58.16000       1.641000      1441.913      38.6   
1 1 1 2  17 30 o 11.21000       1.066000      432.0633      96.0   
1 1 1 2  17 31 o 33.15000       1.280000      1016.679      58.2   
1 1 1 2  17 32 o 29.36000       1.235000      739.3784      88.6   
1 1 1 2  17 33 o 12.78000       1.074000      201.7183      94.0   
1 1 1 2  17 34 o 145.3000       3.176000      1700.245      19.5   
1 1 1 2  17 35 o 11.73000       1.047000      408.3900      1.3    
1 1 1 2  17 36 o 74.10000       1.897000      1409.825      -168.5 
1 1 1 2  17 37 o 49.02000       1.497000      1120.120      40.3   
1 1 1 2  17 38 o 14.08000       1.053000      532.0043      99.2   
1 1 1 2  17 39 o 20.77000       1.128000      789.5096      -162.6 
1 1 1 2  17 40 o 14.57000       1.065000      447.7361      -86.1  
1 1 1 2  17 41 o 28.63000       1.234000      809.6498      -144.7 
1 1 1 2  17 42 o 26.78000       1.251000      795.2258      -15.1  
1 1 1 2  17 43 o 27.07000       1.824000      602.6124      -87.9  
1 1 1 2  17 44 o 9.648000       2.277000      461.1485      -120.1 
1 1 1 2  17 45 o 1.457000       1.157000      375.6635      90.7   
1 1 1 2  17 46 o 10.11000       1.109000      594.0034      114.1  
1 1 1 2  17 47 o 51.56000       1.642000      1145.265      49.7   
1 1 1 2  17 48 o 9.696000       1.149000      348.7797      78.6   
1 1 1 2  17 49 o 26.35000       1.359000      727.8027      -131.2 
1 1 1 2  17 50 o 10.35000       1.227000      316.6663      119.3  
1 1 1 2  17 51 o 64.18000       1.944000      1155.150      59.1   
1 1 1 2  17 52 o 26.18000       1.435000      767.8307      -93.7  
1 1 1 2  17 53 o 7.167000       1.281000      450.8674      150.3  
1 1 1 2  17 54 o 1.588000       1.277000      206.3152      125.9  
1 1 1 2  17 55 o 4.088000       1.354000      208.6480      100.8  
1 1 1 2  17 56 o 12.14000       1.446000      439.2255      -95.2  
1 1 1 2  17 58 o 5.322000       1.593000      389.4384      72.8   
1 1 1 2  17 59 o 7.041000       2.527000      406.4600      -9.0   
1 1 1 2  17 60 o 2.247000       2.080000      ?             ?      
1 1 1 2  17 62 o 3.756000       1.353000      ?             ?      
1 1 1 2  17 63 o 6.222000       1.365000      ?             ?      
1 1 1 2  17 64 o 9.175000       1.405000      ?             ?      
1 1 1 2  17 65 o 1.888000       1.355000      ?             ?      
1 1 1 2  17 66 o 6.845000       1.394000      ?             ?      
1 1 1 2  17 67 o 3.538000       1.382000      ?             ?      
1 1 1 2  17 68 o 5.433000       1.411000      ?             ?      
1 1 1 2  17 69 o 2.630000       1.387000      ?             ?      
1 1 1 2  17 70 o 7.096000       1.451000      ?             ?      
1 1 1 2  17 71 o 6.547000       1.652000      ?             ?      
1 1 1 2  17 72 o -0.1117000     1.784000      ?             ?      
1 1 1 2  17 73 o 2.539000       2.953000      ?             ?      
1 1 1 2  17 74 o 2.393000       2.218000      ?             ?      
1 1 1 2  18 0  o 7.500000       0.6498000     413.9445      180.0  
1 1 1 2  18 1  o 49.78000       1.379000      1058.592      20.8   
1 1 1 2  18 2  o 47.97000       1.382000      923.0525      4.3    
1 1 1 2  18 3  o 22.59000       0.6681000     644.5398      -88.6  
1 1 1 2  18 4  o 7.632000       0.3928000     396.9666      166.0  
1 1 1 2  18 5  o 39.57000       0.8851000     1018.703      -40.1  
1 1 1 2  18 6  o 66.41000       1.390000      1298.084      161.8  
1 1 1 2  18 7  o 35.71000       0.8788000     833.1528      59.3   
1 1 1 2  18 8  o 118.0000       3.896000      1564.082      -89.7  
1 1 1 2  18 9  o 10.59000       0.5492000     581.8504      51.0   
1 1 1 2  18 10 o 15.80000       0.9908000     705.8494      150.5  
1 1 1 2  18 11 o 18.58000       0.6700000     855.7524      22.6   
1 1 1 2  18 12 o 19.06000       0.6244000     697.7703      167.4  
1 1 1 2  18 13 o 66.40000       1.669000      1658.395      -31.5  
1 1 1 2  18 14 o 79.36000       1.675000      867.6287      26.5   
1 1 1 2  18 15 o 7.307000       0.4232000     793.0679      70.9   
1 1 1 2  18 16 o 84.13000       1.782000      1223.201      -120.1 
1 1 1 2  18 17 o 76.60000       1.657000      1454.542      -65.3  
1 1 1 2  18 18 o 106.6000       2.233000      931.6564      -38.0  
1 1 1 2  18 19 o 27.00000       0.8292000     1015.441      54.6   
1 1 1 2  18 20 o 80.29000       1.774000      1444.089      32.5   
1 1 1 2  18 21 o 135.5000       2.832000      1062.468      -95.8  
1 1 1 2  18 22 o 20.78000       0.8424000     491.8851      -13.5  
1 1 1 2  18 23 o 38.06000       1.125000      646.7725      95.3   
1 1 1 2  18 24 o 530.1000       10.50000      3603.399      -65.9  
1 1 1 2  18 25 o 130.8000       2.829000      1377.198      83.7   
1 1 1 2  18 26 o 12.11000       1.388000      494.6266      126.8  
1 1 1 2  18 27 o 7.453000       2.156000      208.6007      153.8  
1 1 1 2  18 28 o 143.5000       3.634000      1742.068      151.9  
1 1 1 2  18 29 o 16.36000       1.097000      652.5593      -30.5  
1 1 1 2  18 30 o 51.80000       1.548000      898.4822      -5.8   
1 1 1 2  18 31 o 76.57000       1.935000      1150.621      155.6  
1 1 1 2  18 32 o 88.85000       2.155000      1343.049      -22.1  
1 1 1 2  18 33 o 26.64000       1.200000      494.9177      153.9  
1 1 1 2  18 34 o 7.461000       1.018000      265.1014      -128.5 
1 1 1 2  18 35 o 117.2000       2.660000      1612.341      125.5  
1 1 1 2  18 36 o 26.88000       1.182000      719.7782      -97.0  
1 1 1 2  18 37 o 54.89000       1.585000      1083.176      130.5  
1 1 1 2  18 38 o 18.39000       1.097000      961.5392      -46.0  
1 1 1 2  18 39 o 47.52000       1.492000      1007.329      -57.3  
1 1 1 2  18 40 o 25.10000       1.176000      600.8196      59.4   
1 1 1 2  18 41 o 20.18000       1.144000      782.1788      6.4    
1 1 1 2  18 42 o 164.3000       4.092000      ?             ?      
1 1 1 2  18 44 o 19.48000       2.691000      551.4760      -54.7  
1 1 1 2  18 45 o 70.25000       2.285000      1277.524      -117.1 
1 1 1 2  18 46 o 1.056000       1.067000      102.0415      -9.2   
1 1 1 2  18 47 o 14.68000       1.176000      573.4153      88.0   
1 1 1 2  18 48 o 81.84000       2.179000      1373.930      20.8   
1 1 1 2  18 49 o 5.130000       1.174000      414.8470      20.3   
1 1 1 2  18 50 o 33.23000       1.483000      943.2432      -27.4  
1 1 1 2  18 51 o 29.25000       1.470000      636.7596      -122.7 
1 1 1 2  18 52 o 13.88000       1.324000      538.8618      -57.4  
1 1 1 2  18 53 o 20.58000       1.418000      606.8351      -27.8  
1 1 1 2  18 54 o 7.526000       1.342000      499.8313      -60.3  
1 1 1 2  18 55 o 23.22000       1.526000      777.9279      -143.5 
1 1 1 2  18 56 o 12.15000       1.467000      608.4542      -154.5 
1 1 1 2  18 57 o 69.50000       2.264000      ?             ?      
1 1 1 2  18 59 o 2.640000       2.212000      ?             ?      
1 1 1 2  18 60 o 11.37000       2.189000      ?             ?      
1 1 1 2  18 61 o 9.326000       1.630000      ?             ?      
1 1 1 2  18 62 o 12.44000       1.408000      ?             ?      
1 1 1 2  18 63 o 18.16000       1.481000      ?             ?      
1 1 1 2  18 64 o 3.293000       1.361000      ?             ?      
1 1 1 2  18 65 o 3.980000       1.379000      ?             ?      
1 1 1 2  18 66 o 14.08000       1.473000      ?             ?      
1 1 1 2  18 67 o 13.72000       1.457000      ?             ?      
1 1 1 2  18 69 o 2.993000       1.383000      ?             ?      
1 1 1 2  18 70 o 2.020000       1.398000      ?             ?      
1 1 1 2  18 71 f -1.356000      1.578000      ?             ?      
1 1 1 2  18 72 o 0.6574000      1.634000      ?             ?      
1 1 1 2  18 73 o -0.2033000     1.451000      ?             ?      
1 1 1 2  18 74 o 3.305000       1.748000      ?             ?      
1 1 1 2  19 0  o 3.174000       0.8581000     271.6562      -180.0 
1 1 1 2  19 1  o 134.1000       3.313000      1213.946      108.7  
1 1 1 2  19 2  o 10.23000       0.4515000     461.5724      39.7   
1 1 1 2  19 3  o 50.00000       1.182000      798.3275      -129.0 
1 1 1 2  19 4  o 19.74000       0.6193000     705.7296      -121.2 
1 1 1 2  19 5  o 17.70000       0.5198000     1234.614      -52.2  
1 1 1 2  19 6  o 106.6000       2.173000      1509.743      128.9  
1 1 1 2  19 7  o 183.8000       4.263000      1967.998      -83.6  
1 1 1 2  19 8  o 22.04000       1.130000      482.6823      60.6   
1 1 1 2  19 9  o 7.247000       0.8804000     454.3271      -96.2  
1 1 1 2  19 10 o 2.632000       0.5674000     299.4203      171.6  
1 1 1 2  19 11 o 6.827000       0.4095000     274.9977      -40.4  
1 1 1 2  19 12 o 100.2000       2.714000      1208.646      73.7   
1 1 1 2  19 13 o 46.28000       1.249000      774.2404      -152.3 
1 1 1 2  19 14 o 29.43000       1.098000      1112.631      -138.3 
1 1 1 2  19 15 o 27.37000       0.7317000     597.4586      165.0  
1 1 1 2  19 16 o 36.21000       0.9066000     774.7091      -34.8  
1 1 1 2  19 17 o 15.23000       0.5890000     905.0192      -93.9  
1 1 1 2  19 18 o 412.2000       8.157000      2887.566      -26.6  
1 1 1 2  19 19 o 370.1000       7.344000      2440.707      -116.2 
1 1 1 2  19 20 o 103.2000       2.208000      1257.587      23.1   
1 1 1 2  19 21 o 67.14000       1.572000      1607.799      40.3   
1 1 1 2  19 22 o 18.07000       0.8136000     453.9763      -113.1 
1 1 1 2  19 23 o 15.97000       0.8462000     800.4100      164.8  
1 1 1 2  19 24 o 15.53000       0.8946000     299.6211      -141.0 
1 1 1 2  19 25 o 114.6000       2.890000      1764.504      35.3   
1 1 1 2  19 26 o 36.63000       1.986000      1066.844      61.9   
1 1 1 2  19 27 o 191.3000       7.032000      2060.336      -36.9  
1 1 1 2  19 28 o 28.24000       1.903000      806.8076      60.0   
1 1 1 2  19 29 o 59.48000       1.665000      1077.984      73.5   
1 1 1 2  19 30 o 14.16000       1.049000      531.0364      -14.3  
1 1 1 2  19 31 o 32.37000       1.258000      615.4651      35.4   
1 1 1 2  19 32 o 65.17000       1.744000      1316.310      -91.7  
1 1 1 2  19 33 o 116.2000       2.636000      1552.778      -44.0  
1 1 1 2  19 34 o 53.09000       1.564000      968.6464      146.3  
1 1 1 2  19 35 o 17.72000       1.091000      705.5612      125.8  
1 1 1 2  19 36 o 32.74000       1.334000      939.8294      -151.1 
1 1 1 2  19 37 o 183.4000       3.886000      1891.108      -28.7  
1 1 1 2  19 38 o 5.045000       0.9722000     562.9718      -179.1 
1 1 1 2  19 39 o 17.58000       1.091000      580.7979      -65.2  
1 1 1 2  19 40 o 31.17000       1.258000      989.2907      125.0  
1 1 1 2  19 41 o 47.10000       1.503000      1099.347      61.5   
1 1 1 2  19 42 o 41.46000       1.608000      929.6672      -103.5 
1 1 1 2  19 43 o 13.04000       1.343000      290.4276      -43.4  
1 1 1 2  19 44 o 69.64000       2.790000      1390.197      -66.7  
1 1 1 2  19 45 o 16.49000       1.663000      578.7515      60.7   
1 1 1 2  19 46 o 1.182000       1.188000      56.70103      75.9   
1 1 1 2  19 47 o 26.03000       1.324000      699.2739      141.2  
1 1 1 2  19 48 o 47.19000       1.759000      1069.395      -138.0 
1 1 1 2  19 49 o 26.61000       1.388000      696.5292      -144.9 
1 1 1 2  19 50 o 100.9000       2.565000      ?             ?      
1 1 1 2  19 51 o 30.61000       1.496000      819.0922      72.7   
1 1 1 2  19 52 o 21.55000       1.410000      682.5758      -79.9  
1 1 1 2  19 53 o 91.09000       2.470000      ?             ?      
1 1 1 2  19 54 o 21.23000       1.502000      509.1561      -12.3  
1 1 1 2  19 55 o 11.90000       1.459000      586.1232      -87.2  
1 1 1 2  19 56 o 47.04000       1.870000      ?             ?      
1 1 1 2  19 57 o 29.08000       1.827000      730.6277      -154.8 
1 1 1 2  19 58 o 7.192000       1.815000      508.9223      135.0  
1 1 1 2  19 59 o 7.518000       1.466000      ?             ?      
1 1 1 2  19 60 o 13.45000       1.728000      ?             ?      
1 1 1 2  19 61 o 6.255000       1.869000      ?             ?      
1 1 1 2  19 62 o 3.725000       1.368000      ?             ?      
1 1 1 2  19 63 o 2.099000       1.337000      ?             ?      
1 1 1 2  19 64 o 9.194000       1.408000      ?             ?      
1 1 1 2  19 65 o 4.682000       1.371000      ?             ?      
1 1 1 2  19 66 o 10.38000       1.418000      ?             ?      
1 1 1 2  19 67 o 8.274000       1.420000      ?             ?      
1 1 1 2  19 68 o 1.975000       1.375000      ?             ?      
1 1 1 2  19 69 o 0.8104000      1.369000      ?             ?      
1 1 1 2  19 70 o 0.8726000      1.488000      ?             ?      
1 1 1 2  19 71 o 0.5588000      1.609000      ?             ?      
1 1 1 2  19 72 o 3.791000       1.648000      ?             ?      
1 1 1 2  19 73 o 3.987000       1.713000      ?             ?      
1 1 1 2  19 74 o -0.9033000     1.964000      ?             ?      
1 1 1 2  20 0  o 62.49000       1.897000      769.2252      -180.0 
1 1 1 2  20 1  o 62.47000       1.346000      1102.845      -58.4  
1 1 1 2  20 2  o 1.098000       0.4192000     246.2803      54.0   
1 1 1 2  20 3  o 9.187000       0.4913000     713.8630      172.8  
1 1 1 2  20 4  o 46.61000       1.128000      1058.485      -78.3  
1 1 1 2  20 5  o 51.59000       1.206000      915.6493      -75.0  
1 1 1 2  20 6  o 292.1000       6.662000      2611.231      31.0   
1 1 1 2  20 7  o 107.6000       2.345000      1325.414      -42.3  
1 1 1 2  20 8  o 14.80000       0.8127000     499.8240      87.4   
1 1 1 2  20 9  o 542.7000       17.24000      2902.815      169.4  
1 1 1 2  20 10 o 92.14000       2.519000      1253.879      -147.0 
1 1 1 2  20 11 o 26.90000       0.9725000     1071.288      -21.0  
1 1 1 2  20 12 o 13.88000       0.7706000     784.2090      145.8  
1 1 1 2  20 13 o 73.89000       2.116000      1166.227      77.9   
1 1 1 2  20 14 o 159.3000       3.747000      1588.382      -95.6  
1 1 1 2  20 15 o 62.55000       1.644000      1224.781      124.8  
1 1 1 2  20 16 o 104.1000       2.379000      1590.227      -171.6 
1 1 1 2  20 17 o 241.8000       4.839000      2070.058      2.8    
1 1 1 2  20 18 o 131.1000       2.712000      1702.398      9.8    
1 1 1 2  20 19 o 73.29000       1.637000      1078.893      38.8   
1 1 1 2  20 20 o 113.8000       2.413000      1426.365      -15.3  
1 1 1 2  20 21 o 37.37000       1.204000      914.3809      52.0   
1 1 1 2  20 22 o 62.50000       1.532000      1290.355      -76.5  
1 1 1 2  20 23 o 176.7000       3.663000      1767.235      174.0  
1 1 1 2  20 24 o 205.0000       4.227000      2107.194      133.7  
1 1 1 2  20 25 o 72.97000       2.042000      1484.430      64.0   
1 1 1 2  20 26 o 79.13000       2.420000      1168.432      17.9   
1 1 1 2  20 27 o 26.08000       1.443000      745.2266      -84.9  
1 1 1 2  20 28 o 114.5000       3.484000      1619.061      94.9   
1 1 1 2  20 29 o 129.8000       3.150000      1775.597      55.2   
1 1 1 2  20 30 o 38.43000       1.320000      1038.576      92.4   
1 1 1 2  20 31 o 46.17000       1.439000      1104.353      15.0   
1 1 1 2  20 32 o 39.23000       1.344000      1009.777      24.0   
1 1 1 2  20 33 o 63.54000       1.704000      1377.059      -147.9 
1 1 1 2  20 34 o 33.00000       1.255000      955.7780      149.0  
1 1 1 2  20 35 o 51.30000       1.531000      1141.213      -29.5  
1 1 1 2  20 36 o 10.40000       1.003000      376.0077      -84.9  
1 1 1 2  20 37 o 27.36000       1.191000      817.6184      67.8   
1 1 1 2  20 38 o 45.62000       1.433000      978.7499      42.5   
1 1 1 2  20 39 o 77.17000       1.975000      1375.772      -166.7 
1 1 1 2  20 40 o 10.56000       1.037000      294.5759      -155.4 
1 1 1 2  20 41 o 16.62000       1.124000      627.7057      -33.2  
1 1 1 2  20 42 o 43.59000       1.798000      1205.808      112.9  
1 1 1 2  20 43 o 47.31000       1.767000      752.0771      -149.9 
1 1 1 2  20 44 o 8.021000       1.212000      334.8448      -51.9  
1 1 1 2  20 45 o 14.20000       1.659000      515.0421      -29.1  
1 1 1 2  20 46 o 26.42000       1.560000      649.4043      128.2  
1 1 1 2  20 47 o 43.33000       1.576000      994.6825      -9.4   
1 1 1 2  20 48 o 18.68000       1.276000      709.4100      -41.7  
1 1 1 2  20 49 o 12.84000       1.247000      463.5329      85.4   
1 1 1 2  20 50 o 8.220000       1.271000      214.6944      -132.4 
1 1 1 2  20 51 o 59.71000       1.933000      1221.655      169.6  
1 1 1 2  20 52 o 74.39000       2.197000      ?             ?      
1 1 1 2  20 53 o 42.72000       1.739000      923.8704      -16.4  
1 1 1 2  20 54 o 78.63000       2.313000      ?             ?      
1 1 1 2  20 55 o 14.77000       1.478000      560.2915      151.1  
1 1 1 2  20 56 o 4.089000       1.429000      251.1149      -12.0  
1 1 1 2  20 57 o 20.27000       1.741000      730.1979      162.2  
1 1 1 2  20 58 o 33.94000       1.882000      ?             ?      
1 1 1 2  20 59 o 23.14000       1.548000      ?             ?      
1 1 1 2  20 60 o 13.08000       1.739000      ?             ?      
1 1 1 2  20 61 o 13.12000       2.157000      ?             ?      
1 1 1 2  20 62 o 11.79000       1.639000      ?             ?      
1 1 1 2  20 64 o -0.1528000     1.342000      ?             ?      
1 1 1 2  20 65 o 6.777000       1.361000      ?             ?      
1 1 1 2  20 66 o 8.067000       1.399000      ?             ?      
1 1 1 2  20 67 o 4.885000       1.385000      ?             ?      
1 1 1 2  20 68 o 1.607000       1.363000      ?             ?      
1 1 1 2  20 69 o 3.577000       1.391000      ?             ?      
1 1 1 2  20 70 o 1.447000       1.571000      ?             ?      
1 1 1 2  20 71 o 0.5956000      1.999000      ?             ?      
1 1 1 2  20 72 o 2.592000       1.985000      ?             ?      
1 1 1 2  20 73 o 2.824000       1.730000      ?             ?      
1 1 1 2  21 0  o 16.23000       0.9224000     460.3810      -0.0   
1 1 1 2  21 1  o 70.82000       1.507000      1340.759      -37.3  
1 1 1 2  21 2  o 684.8000       13.45000      3613.640      13.4   
1 1 1 2  21 3  o 94.23000       1.952000      990.5328      -173.2 
1 1 1 2  21 4  o 85.59000       1.788000      1343.394      99.3   
1 1 1 2  21 5  o 255.7000       5.469000      2300.429      -36.5  
1 1 1 2  21 6  o 6.406000       0.4004000     340.2808      172.8  
1 1 1 2  21 7  o 67.32000       1.933000      1382.941      65.4   
1 1 1 2  21 9  o 192.2000       6.645000      1776.765      -92.6  
1 1 1 2  21 10 o 8.548000       0.7048000     590.6375      34.9   
1 1 1 2  21 11 o 232.2000       5.647000      2183.979      -113.6 
1 1 1 2  21 12 o 56.83000       1.632000      1229.163      -6.3   
1 1 1 2  21 13 f 272.6000       6.278000      1822.523      -39.3  
1 1 1 2  21 14 o 184.7000       4.311000      2123.077      -156.8 
1 1 1 2  21 15 o 46.51000       1.315000      1435.712      -48.6  
1 1 1 2  21 16 o 155.0000       3.402000      1907.005      -150.5 
1 1 1 2  21 17 o 43.72000       1.346000      1131.516      6.7    
1 1 1 2  21 18 o 106.5000       2.244000      1453.924      44.7   
1 1 1 2  21 19 o 23.03000       0.7846000     388.6226      -149.3 
1 1 1 2  21 20 o 68.63000       1.582000      1174.445      32.4   
1 1 1 2  21 21 o 1.306000       0.6816000     374.2991      135.1  
1 1 1 2  21 22 o 681.5000       13.44000      3607.839      -156.6 
1 1 1 2  21 23 o 196.6000       4.054000      2040.802      -140.7 
1 1 1 2  21 24 o 25.90000       1.132000      773.7984      77.3   
1 1 1 2  21 25 o 21.01000       1.296000      611.6138      13.1   
1 1 1 2  21 26 o 47.56000       1.605000      712.2468      131.5  
1 1 1 2  21 27 o 19.95000       1.221000      879.2222      -148.4 
1 1 1 2  21 28 o 227.5000       6.176000      2019.155      141.5  
1 1 1 2  21 29 o 287.9000       7.646000      2275.783      -160.7 
1 1 1 2  21 30 o 64.76000       1.890000      1283.481      132.3  
1 1 1 2  21 31 o 28.67000       1.185000      902.1055      35.5   
1 1 1 2  21 32 o 21.02000       1.105000      475.8791      -106.1 
1 1 1 2  21 33 o 24.02000       1.132000      629.2957      88.1   
1 1 1 2  21 34 o 167.0000       3.573000      2129.835      89.8   
1 1 1 2  21 35 o 19.66000       1.084000      754.9827      -174.2 
1 1 1 2  21 36 o 28.71000       1.185000      970.0124      -132.6 
1 1 1 2  21 37 o 21.96000       1.106000      687.7752      -32.8  
1 1 1 2  21 38 o 41.66000       1.381000      929.4188      149.2  
1 1 1 2  21 39 o 6.158000       0.9867000     273.0941      50.0   
1 1 1 2  21 40 o 4.443000       0.9953000     189.3548      -172.8 
1 1 1 2  21 41 o 8.324000       1.134000      315.1331      132.3  
1 1 1 2  21 42 o 124.1000       3.890000      ?             ?      
1 1 1 2  21 43 o 42.14000       1.504000      1022.584      -84.6  
1 1 1 2  21 44 o 129.0000       2.972000      ?             ?      
1 1 1 2  21 45 o 3.726000       1.309000      177.6853      176.4  
1 1 1 2  21 46 o 21.88000       1.787000      702.6992      -95.4  
1 1 1 2  21 47 o 14.99000       1.353000      496.7415      172.6  
1 1 1 2  21 48 o 11.23000       1.212000      482.6003      -114.4 
1 1 1 2  21 49 o 15.44000       1.284000      535.9312      -173.1 
1 1 1 2  21 50 o 76.46000       2.176000      ?             ?      
1 1 1 2  21 51 o 8.066000       1.317000      468.1677      69.7   
1 1 1 2  21 52 o 54.00000       1.909000      984.4343      -57.9  
1 1 1 2  21 53 o 26.71000       1.562000      674.3374      74.0   
1 1 1 2  21 55 o 34.02000       1.692000      900.5800      -89.4  
1 1 1 2  21 56 o 20.42000       1.731000      822.4812      123.0  
1 1 1 2  21 58 o 14.38000       1.648000      ?             ?      
1 1 1 2  21 59 o 15.83000       1.463000      ?             ?      
1 1 1 2  21 60 o 9.971000       1.409000      ?             ?      
1 1 1 2  21 61 o 5.104000       1.634000      ?             ?      
1 1 1 2  21 62 o 4.659000       1.818000      ?             ?      
1 1 1 2  21 63 o 11.69000       1.412000      ?             ?      
1 1 1 2  21 64 o 16.87000       1.459000      ?             ?      
1 1 1 2  21 65 o 10.11000       1.398000      ?             ?      
1 1 1 2  21 66 o 2.337000       1.354000      ?             ?      
1 1 1 2  21 67 o 2.171000       1.354000      ?             ?      
1 1 1 2  21 68 o 1.022000       1.366000      ?             ?      
1 1 1 2  21 69 o 2.115000       1.505000      ?             ?      
1 1 1 2  21 70 o 0.5613000      1.995000      ?             ?      
1 1 1 2  21 71 o -1.559000      1.999000      ?             ?      
1 1 1 2  21 72 o 2.648000       1.454000      ?             ?      
1 1 1 2  21 73 o 4.350000       1.470000      ?             ?      
1 1 1 2  22 0  o 121.1000       3.495000      903.2313      0.0    
1 1 1 2  22 1  o 50.78000       1.149000      922.0876      28.5   
1 1 1 2  22 2  o -0.3618000     0.7135000     888.0784      136.2  
1 1 1 2  22 3  o 68.12000       1.468000      1250.001      -158.3 
1 1 1 2  22 4  o 74.00000       1.573000      1486.149      -53.2  
1 1 1 2  22 5  o 14.89000       0.5349000     352.8974      152.2  
1 1 1 2  22 6  o 55.73000       1.384000      811.4271      54.8   
1 1 1 2  22 7  o 600.5000       15.09000      3483.188      -140.9 
1 1 1 2  22 8  o 53.39000       2.434000      1167.362      87.4   
1 1 1 2  22 9  o 174.0000       6.008000      1943.107      -127.6 
1 1 1 2  22 10 o 28.93000       1.152000      1282.039      -172.7 
1 1 1 2  22 11 o 118.8000       3.854000      1358.169      139.7  
1 1 1 2  22 12 o 43.32000       1.768000      1011.092      43.1   
1 1 1 2  22 13 o 26.08000       1.081000      954.9801      -83.5  
1 1 1 2  22 14 o 25.91000       1.079000      1300.218      -171.2 
1 1 1 2  22 15 o 324.0000       6.989000      2692.045      81.7   
1 1 1 2  22 16 o 15.53000       0.8063000     344.8724      -122.3 
1 1 1 2  22 17 o 554.3000       11.77000      3388.062      -48.5  
1 1 1 2  22 18 o 67.50000       1.690000      1279.988      178.1  
1 1 1 2  22 19 o 212.9000       4.317000      2070.324      -116.2 
1 1 1 2  22 20 o 226.2000       4.583000      2184.457      37.4   
1 1 1 2  22 21 o 209.9000       4.281000      1958.925      -38.7  
1 1 1 2  22 22 o 17.25000       0.8702000     806.9482      -160.0 
1 1 1 2  22 23 o 171.5000       3.579000      2174.875      -164.7 
1 1 1 2  22 24 o 74.04000       2.038000      1232.803      -145.4 
1 1 1 2  22 25 o 30.27000       1.379000      687.7306      12.5   
1 1 1 2  22 26 o 282.8000       5.769000      2390.877      -84.3  
1 1 1 2  22 27 o 237.7000       4.897000      1988.036      -101.7 
1 1 1 2  22 28 o 30.55000       1.399000      659.2139      -146.4 
1 1 1 2  22 29 o 199.0000       6.043000      2349.978      0.4    
1 1 1 2  22 30 o 55.70000       1.749000      1245.056      -3.2   
1 1 1 2  22 31 o 16.97000       1.039000      749.8427      -68.7  
1 1 1 2  22 32 o 221.8000       4.601000      2151.188      105.0  
1 1 1 2  22 33 o 22.32000       1.093000      976.8961      -113.2 
1 1 1 2  22 34 o 78.95000       1.959000      1099.469      -82.0  
1 1 1 2  22 35 o 14.41000       1.015000      415.6526      -111.8 
1 1 1 2  22 36 o 161.8000       3.488000      1757.159      -132.7 
1 1 1 2  22 37 o 20.83000       1.092000      592.1180      140.6  
1 1 1 2  22 38 o 37.54000       1.330000      711.0418      -167.9 
1 1 1 2  22 39 o 47.80000       1.491000      997.1396      -65.2  
1 1 1 2  22 40 o 21.45000       1.218000      684.8117      117.6  
1 1 1 2  22 41 o 30.49000       1.528000      919.3901      76.5   
1 1 1 2  22 42 o 24.28000       1.360000      868.1492      171.7  
1 1 1 2  22 43 o 50.53000       1.605000      949.6390      -33.4  
1 1 1 2  22 44 o 7.287000       1.079000      383.2131      -21.8  
1 1 1 2  22 45 o 9.758000       1.244000      386.9359      34.6   
1 1 1 2  22 46 o 8.015000       1.654000      425.4371      -128.7 
1 1 1 2  22 47 o 51.03000       2.008000      1152.278      -12.3  
1 1 1 2  22 48 o 34.20000       1.476000      801.4434      38.3   
1 1 1 2  22 49 o 73.14000       2.082000      ?             ?      
1 1 1 2  22 50 o 7.240000       1.261000      431.7971      -144.4 
1 1 1 2  22 52 o 3.215000       1.346000      386.7034      -1.3   
1 1 1 2  22 53 o 42.38000       1.758000      955.0552      100.4  
1 1 1 2  22 55 o 30.60000       1.685000      889.2269      72.1   
1 1 1 2  22 56 o 21.62000       1.745000      615.6805      61.2   
1 1 1 2  22 57 o 10.19000       1.635000      ?             ?      
1 1 1 2  22 58 o 24.24000       1.576000      ?             ?      
1 1 1 2  22 59 o 16.47000       1.471000      ?             ?      
1 1 1 2  22 60 o 0.1847000      1.332000      ?             ?      
1 1 1 2  22 61 o 5.478000       1.597000      ?             ?      
1 1 1 2  22 62 o 6.358000       2.008000      ?             ?      
1 1 1 2  22 63 o 1.067000       1.543000      ?             ?      
1 1 1 2  22 64 o -0.1973000     1.319000      ?             ?      
1 1 1 2  22 65 o 12.69000       1.429000      ?             ?      
1 1 1 2  22 66 o 10.78000       1.411000      ?             ?      
1 1 1 2  22 67 o 2.116000       1.484000      ?             ?      
1 1 1 2  22 68 o -0.5464000     1.595000      ?             ?      
1 1 1 2  22 69 o 4.233000       1.995000      ?             ?      
1 1 1 2  22 70 o -0.3286000     2.301000      ?             ?      
1 1 1 2  22 71 o -0.8514000     1.588000      ?             ?      
1 1 1 2  22 72 o -0.7563000     1.421000      ?             ?      
1 1 1 2  23 0  o 26.73000       1.069000      384.9312      -0.0   
1 1 1 2  23 1  o 171.4000       3.452000      1924.834      85.5   
1 1 1 2  23 2  o 551.7000       10.85000      3259.813      7.9    
1 1 1 2  23 3  o 18.76000       0.6301000     417.5382      -105.3 
1 1 1 2  23 4  o 285.5000       5.663000      2239.602      -43.3  
1 1 1 2  23 5  o 740.5000       14.57000      4141.323      -29.2  
1 1 1 2  23 6  o 119.3000       3.086000      1322.372      35.6   
1 1 1 2  23 7  o 80.63000       2.166000      1472.541      -169.0 
1 1 1 2  23 8  o 981.0000       20.89000      3956.394      -32.0  
1 1 1 2  23 9  o 341.4000       8.255000      3040.300      -33.6  
1 1 1 2  23 10 o 11.42000       0.8641000     827.8983      149.0  
1 1 1 2  23 11 o 71.28000       2.634000      1156.605      -179.8 
1 1 1 2  23 12 o 102.4000       3.509000      1592.540      -28.4  
1 1 1 2  23 13 o 47.35000       1.488000      950.2306      176.1  
1 1 1 2  23 14 o 94.23000       2.843000      1917.205      116.5  
1 1 1 2  23 15 o 410.9000       13.30000      2877.380      -98.2  
1 1 1 2  23 16 o 30.13000       1.121000      855.1337      122.3  
1 1 1 2  23 17 o 85.98000       2.207000      1087.802      -40.1  
1 1 1 2  23 18 o 16.52000       0.6713000     563.4026      57.3   
1 1 1 2  23 19 o 95.91000       2.663000      1722.667      -77.0  
1 1 1 2  23 20 o 39.53000       1.219000      889.4763      78.5   
1 1 1 2  23 21 o 49.81000       1.302000      1273.587      177.0  
1 1 1 2  23 22 o 79.98000       1.857000      1468.691      -135.9 
1 1 1 2  23 23 o 117.0000       2.757000      1279.517      161.4  
1 1 1 2  23 24 o 144.3000       4.228000      1626.807      -76.0  
1 1 1 2  23 25 o 65.83000       1.912000      1451.982      -36.1  
1 1 1 2  23 26 o 86.67000       2.272000      995.4754      47.4   
1 1 1 2  23 27 o 266.9000       5.459000      2229.847      -38.4  
1 1 1 2  23 28 o 40.87000       1.486000      925.0454      170.2  
1 1 1 2  23 29 o 6.317000       1.472000      483.6223      -158.4 
1 1 1 2  23 30 o 67.25000       2.410000      1603.200      79.5   
1 1 1 2  23 31 o 54.83000       1.688000      1022.831      150.8  
1 1 1 2  23 32 o 154.6000       3.338000      1953.193      143.4  
1 1 1 2  23 33 o 7.847000       0.9419000     364.5981      49.4   
1 1 1 2  23 34 o 25.21000       1.113000      589.2910      20.6   
1 1 1 2  23 35 o 6.960000       0.9444000     255.7224      -139.6 
1 1 1 2  23 36 o 13.01000       1.005000      643.0643      -134.8 
1 1 1 2  23 37 o 40.44000       1.488000      864.4714      -64.3  
1 1 1 2  23 38 o 55.22000       1.598000      1014.811      165.2  
1 1 1 2  23 39 o 30.19000       1.230000      905.3681      -152.5 
1 1 1 2  23 40 o 26.74000       1.319000      788.7953      157.3  
1 1 1 2  23 41 o 5.434000       1.173000      223.9419      -139.1 
1 1 1 2  23 42 o 62.29000       1.903000      1194.694      -72.7  
1 1 1 2  23 43 o 14.63000       1.127000      530.6988      -26.2  
1 1 1 2  23 44 o 4.059000       1.063000      335.8099      -20.4  
1 1 1 2  23 45 o 26.46000       1.309000      691.9293      175.3  
1 1 1 2  23 46 o 31.17000       1.705000      895.0640      178.6  
1 1 1 2  23 47 o 4.895000       1.671000      445.3800      145.8  
1 1 1 2  23 48 o 1.730000       1.293000      164.3111      53.5   
1 1 1 2  23 49 o 45.18000       1.667000      940.3313      110.1  
1 1 1 2  23 50 o 46.26000       1.721000      923.2252      100.6  
1 1 1 2  23 51 o 30.40000       1.539000      885.3518      -111.6 
1 1 1 2  23 52 o 10.08000       1.366000      517.5030      -132.0 
1 1 1 2  23 53 o 15.33000       1.445000      583.3178      85.7   
1 1 1 2  23 54 o 8.838000       1.423000      438.7406      -86.4  
1 1 1 2  23 55 o 13.87000       1.631000      504.6424      138.5  
1 1 1 2  23 57 o 21.56000       1.726000      ?             ?      
1 1 1 2  23 58 o 0.8865000      1.381000      ?             ?      
1 1 1 2  23 59 o 3.957000       1.354000      ?             ?      
1 1 1 2  23 60 o 12.58000       1.392000      ?             ?      
1 1 1 2  23 61 o 5.789000       1.334000      ?             ?      
1 1 1 2  23 62 o 6.616000       1.614000      ?             ?      
1 1 1 2  23 63 o 1.627000       1.798000      ?             ?      
1 1 1 2  23 64 o 0.4176000      1.327000      ?             ?      
1 1 1 2  23 65 o -2.138000      1.456000      ?             ?      
1 1 1 2  23 66 o -2.373000      1.559000      ?             ?      
1 1 1 2  23 67 o 1.725000       1.621000      ?             ?      
1 1 1 2  23 68 o 1.924000       1.519000      ?             ?      
1 1 1 2  23 69 o -1.332000      1.552000      ?             ?      
1 1 1 2  23 70 o 3.711000       1.598000      ?             ?      
1 1 1 2  23 71 o 3.014000       1.388000      ?             ?      
1 1 1 2  23 72 o 5.094000       1.452000      ?             ?      
1 1 1 2  24 0  o 7.321000       0.7681000     45.52702      180.0  
1 1 1 2  24 1  o 89.60000       1.890000      1256.877      98.4   
1 1 1 2  24 2  o 171.8000       3.462000      1773.129      164.5  
1 1 1 2  24 3  o 78.16000       1.672000      1729.418      24.4   
1 1 1 2  24 4  o 97.87000       2.041000      1660.190      46.9   
1 1 1 2  24 5  o 183.9000       4.258000      1499.112      112.1  
1 1 1 2  24 6  o 131.1000       3.717000      1346.121      13.6   
1 1 1 2  24 7  o 190.2000       4.401000      2414.149      90.6   
1 1 1 2  24 8  o 143.7000       3.139000      1746.036      38.5   
1 1 1 2  24 9  o 81.11000       2.321000      1399.501      175.3  
1 1 1 2  24 10 o 101.3000       2.649000      1654.471      -163.6 
1 1 1 2  24 11 o 23.17000       1.019000      798.5988      49.9   
1 1 1 2  24 12 o 42.67000       1.407000      911.4479      -88.3  
1 1 1 2  24 13 o 90.85000       2.559000      1335.277      -168.9 
1 1 1 2  24 14 o 279.9000       9.650000      2186.373      137.8  
1 1 1 2  24 15 o 114.8000       4.047000      1834.530      -87.5  
1 1 1 2  24 16 o 737.4000       18.69000      3706.812      -36.9  
1 1 1 2  24 17 o 11.50000       0.6921000     421.6255      67.1   
1 1 1 2  24 18 o 44.26000       1.579000      514.0956      -163.2 
1 1 1 2  24 19 o 208.5000       4.897000      1989.312      -51.9  
1 1 1 2  24 20 o 26.66000       0.9105000     559.5716      28.1   
1 1 1 2  24 21 o 159.2000       3.601000      2056.896      -82.1  
1 1 1 2  24 22 o 20.23000       0.8940000     883.4984      -106.2 
1 1 1 2  24 23 o 15.68000       0.9628000     356.9591      -137.1 
1 1 1 2  24 24 o 277.2000       7.918000      2281.554      -177.8 
1 1 1 2  24 25 o 3.430000       0.8954000     287.7161      74.3   
1 1 1 2  24 26 o 25.62000       1.094000      842.8984      -1.5   
1 1 1 2  24 27 o 19.51000       1.021000      559.8551      -71.6  
1 1 1 2  24 28 o 67.08000       1.736000      1320.695      47.0   
1 1 1 2  24 29 o 42.54000       1.476000      1094.806      -36.4  
1 1 1 2  24 30 f 73.04000       2.494000      1253.439      -142.1 
1 1 1 2  24 31 o 63.37000       1.978000      1036.455      -171.7 
1 1 1 2  24 32 o 52.81000       1.496000      1125.097      18.3   
1 1 1 2  24 33 o 50.70000       1.463000      1092.924      -110.0 
1 1 1 2  24 34 o 52.10000       1.498000      954.5560      -175.1 
1 1 1 2  24 35 o 75.62000       1.913000      1077.009      -117.9 
1 1 1 2  24 36 o 19.57000       1.066000      916.8375      -128.4 
1 1 1 2  24 37 o 39.35000       1.339000      925.4872      -87.6  
1 1 1 2  24 38 o 56.35000       1.615000      1294.280      -63.1  
1 1 1 2  24 39 o 3.183000       1.003000      208.0273      73.6   
1 1 1 2  24 40 o 11.83000       1.285000      355.8491      -106.8 
1 1 1 2  24 41 o 6.478000       1.118000      330.8896      -166.2 
1 1 1 2  24 42 o 6.046000       1.047000      295.8611      -98.0  
1 1 1 2  24 43 o 52.38000       1.634000      1029.055      24.2   
1 1 1 2  24 44 o 83.75000       2.189000      1495.844      -53.3  
1 1 1 2  24 45 o 23.93000       1.294000      744.5617      -51.8  
1 1 1 2  24 46 o 8.139000       1.293000      368.4156      27.9   
1 1 1 2  24 47 o 15.69000       1.761000      552.2319      108.8  
1 1 1 2  24 48 o 6.859000       1.451000      470.4385      151.8  
1 1 1 2  24 49 o 27.16000       1.469000      762.7357      -150.1 
1 1 1 2  24 50 o 43.72000       1.697000      828.7018      -21.6  
1 1 1 2  24 51 o 13.41000       1.368000      613.4221      55.4   
1 1 1 2  24 52 o 2.238000       1.326000      395.4955      89.2   
1 1 1 2  24 53 o 6.336000       1.366000      405.5154      -41.4  
1 1 1 2  24 54 o 3.482000       1.387000      246.5158      -18.7  
1 1 1 2  24 55 o 26.32000       1.787000      800.0593      148.7  
1 1 1 2  24 56 o 0.9345000      1.546000      ?             ?      
1 1 1 2  24 57 o 8.816000       1.428000      ?             ?      
1 1 1 2  24 58 o 18.49000       1.500000      ?             ?      
1 1 1 2  24 59 o 3.889000       1.348000      ?             ?      
1 1 1 2  24 60 o 5.073000       1.313000      ?             ?      
1 1 1 2  24 61 o 8.395000       1.358000      ?             ?      
1 1 1 2  24 62 o 5.980000       1.627000      ?             ?      
1 1 1 2  24 63 o 13.11000       2.101000      ?             ?      
1 1 1 2  24 64 o 6.235000       1.565000      ?             ?      
1 1 1 2  24 65 o 4.701000       1.508000      ?             ?      
1 1 1 2  24 66 o 1.235000       1.493000      ?             ?      
1 1 1 2  24 67 o 8.867000       1.423000      ?             ?      
1 1 1 2  24 68 o 3.404000       1.561000      ?             ?      
1 1 1 2  24 69 o -1.761000      1.780000      ?             ?      
1 1 1 2  24 70 o 1.002000       1.565000      ?             ?      
1 1 1 2  24 71 o 0.5356000E-01  1.374000      ?             ?      
1 1 1 2  24 72 o 0.9419000      1.988000      ?             ?      
1 1 1 2  25 0  o 37.69000       1.373000      854.2884      -180.0 
1 1 1 2  25 1  o 22.18000       0.7406000     809.3344      29.2   
1 1 1 2  25 2  o 223.7000       4.474000      1801.049      2.6    
1 1 1 2  25 3  o 22.44000       0.7389000     916.6246      -36.4  
1 1 1 2  25 4  o 124.6000       2.761000      1349.237      -73.5  
1 1 1 2  25 5  o 148.7000       3.884000      1748.763      94.4   
1 1 1 2  25 6  o 328.4000       8.445000      2307.147      -158.8 
1 1 1 2  25 7  o 5.400000       0.6115000     324.1330      -32.2  
1 1 1 2  25 8  o 272.1000       5.892000      2440.607      20.6   
1 1 1 2  25 9  o 110.2000       3.029000      1764.051      -38.7  
1 1 1 2  25 10 o 133.5000       3.605000      1852.636      -137.7 
1 1 1 2  25 11 o 34.51000       1.229000      599.9216      -40.0  
1 1 1 2  25 12 o 24.19000       1.087000      939.3336      139.5  
1 1 1 2  25 13 o 59.09000       1.793000      1208.674      117.6  
1 1 1 2  25 14 o 453.2000       10.91000      2828.890      52.9   
1 1 1 2  25 15 o 307.4000       7.958000      2687.303      -112.1 
1 1 1 2  25 16 o 170.0000       4.516000      1882.000      33.5   
1 1 1 2  25 17 o 131.4000       5.482000      1714.460      9.4    
1 1 1 2  25 18 o 38.31000       1.340000      839.8149      -88.7  
1 1 1 2  25 19 o 144.7000       3.306000      1925.749      -15.6  
1 1 1 2  25 20 o 65.91000       1.924000      913.2263      75.4   
1 1 1 2  25 21 o 113.2000       3.198000      1563.695      117.7  
1 1 1 2  25 22 o 42.74000       1.337000      989.5701      42.7   
1 1 1 2  25 23 o 146.6000       5.980000      1456.685      -92.5  
1 1 1 2  25 24 o 25.27000       1.109000      938.7977      -99.6  
1 1 1 2  25 25 o 54.68000       1.466000      1348.310      -20.4  
1 1 1 2  25 26 o 87.13000       2.042000      1397.936      5.2    
1 1 1 2  25 27 o 68.26000       1.722000      1043.605      121.2  
1 1 1 2  25 28 o 33.79000       1.186000      644.9796      -10.7  
1 1 1 2  25 29 o 38.66000       1.259000      876.6253      -96.2  
1 1 1 2  25 30 o 17.22000       1.417000      610.8434      39.8   
1 1 1 2  25 31 o 30.52000       1.621000      752.9716      -136.4 
1 1 1 2  25 32 o 31.30000       1.285000      593.0410      38.4   
1 1 1 2  25 33 o 15.37000       0.9716000     574.1395      52.1   
1 1 1 2  25 34 o 237.6000       4.913000      ?             ?      
1 1 1 2  25 35 o 20.63000       1.067000      616.0740      177.5  
1 1 1 2  25 36 o 9.023000       0.9663000     402.1752      -36.3  
1 1 1 2  25 37 o 2.246000       0.9348000     407.8416      -68.1  
1 1 1 2  25 38 o 76.60000       1.965000      1214.593      153.7  
1 1 1 2  25 39 o 38.75000       1.493000      728.8077      76.8   
1 1 1 2  25 40 o 3.429000       1.138000      194.6778      37.9   
1 1 1 2  25 41 o 32.39000       1.392000      821.7801      45.9   
1 1 1 2  25 42 o 31.91000       1.330000      735.1564      -88.8  
1 1 1 2  25 43 o 51.13000       1.635000      1121.719      77.1   
1 1 1 2  25 44 o 12.12000       1.165000      472.6429      120.8  
1 1 1 2  25 45 o 73.40000       2.046000      1196.126      97.8   
1 1 1 2  25 46 f 0.9070000      1.143000      295.8698      -58.6  
1 1 1 2  25 47 o 5.558000       1.434000      139.2570      11.1   
1 1 1 2  25 48 o 10.63000       1.779000      476.9782      -12.1  
1 1 1 2  25 49 o 30.02000       1.659000      836.2706      119.5  
1 1 1 2  25 50 o 4.506000       1.305000      351.7878      34.1   
1 1 1 2  25 51 o 5.512000       1.327000      172.6458      165.3  
1 1 1 2  25 52 o 0.3843000      1.330000      286.5695      102.3  
1 1 1 2  25 53 o 27.63000       1.569000      763.1413      117.3  
1 1 1 2  25 54 o 9.839000       1.579000      527.3867      -117.7 
1 1 1 2  25 55 o 29.79000       2.080000      747.9579      137.0  
1 1 1 2  25 56 o 35.43000       1.898000      ?             ?      
1 1 1 2  25 57 o 19.60000       1.500000      ?             ?      
1 1 1 2  25 58 o 1.170000       1.347000      ?             ?      
1 1 1 2  25 59 o 4.078000       1.340000      ?             ?      
1 1 1 2  25 60 o -1.690000      1.285000      ?             ?      
1 1 1 2  25 61 o 10.61000       1.506000      ?             ?      
1 1 1 2  25 62 o 8.084000       1.602000      ?             ?      
1 1 1 2  25 63 o -0.6695000     1.808000      ?             ?      
1 1 1 2  25 64 o 6.709000       2.063000      ?             ?      
1 1 1 2  25 65 o 1.572000       1.331000      ?             ?      
1 1 1 2  25 66 o 4.012000       1.358000      ?             ?      
1 1 1 2  25 67 o 1.850000       1.355000      ?             ?      
1 1 1 2  25 68 o -1.947000      1.522000      ?             ?      
1 1 1 2  25 69 o 3.173000       1.566000      ?             ?      
1 1 1 2  25 70 o 3.399000       1.403000      ?             ?      
1 1 1 2  25 71 o 2.018000       1.414000      ?             ?      
1 1 1 2  26 0  o 40.57000       1.486000      827.4457      -180.0 
1 1 1 2  26 1  o 32.95000       0.9250000     723.0769      123.5  
1 1 1 2  26 2  o 13.11000       0.6742000     386.5397      -36.0  
1 1 1 2  26 3  o 91.19000       1.949000      1487.308      36.8   
1 1 1 2  26 4  o 69.17000       1.673000      1091.216      122.9  
1 1 1 2  26 5  o 193.0000       5.435000      1672.773      6.4    
1 1 1 2  26 6  o 95.76000       2.323000      1342.707      110.9  
1 1 1 2  26 7  o 5.603000       0.5131000     427.3742      -119.7 
1 1 1 2  26 8  o 109.8000       2.291000      1506.201      18.9   
1 1 1 2  26 9  o 1.967000       0.6454000     209.1501      28.9   
1 1 1 2  26 10 o 44.59000       1.546000      1075.045      -24.1  
1 1 1 2  26 11 o 39.03000       1.473000      1062.103      123.2  
1 1 1 2  26 12 o 464.2000       11.13000      2731.946      159.7  
1 1 1 2  26 13 o 6.772000       0.9575000     322.8909      130.9  
1 1 1 2  26 14 o 48.27000       2.018000      1409.903      105.1  
1 1 1 2  26 15 o 119.9000       3.141000      1706.590      95.8   
1 1 1 2  26 16 o 100.6000       2.757000      1602.871      -45.9  
1 1 1 2  26 17 o 79.09000       2.294000      1326.399      157.8  
1 1 1 2  26 18 o 42.77000       1.436000      1386.454      24.0   
1 1 1 2  26 19 o 95.58000       2.739000      1437.462      -93.9  
1 1 1 2  26 20 o 200.9000       5.364000      2276.412      138.2  
1 1 1 2  26 21 o 98.15000       2.712000      1607.628      4.3    
1 1 1 2  26 22 o 10.76000       0.7811000     439.9132      -6.2   
1 1 1 2  26 23 o 48.04000       2.291000      949.9167      70.5   
1 1 1 2  26 24 o 25.38000       1.058000      752.1799      117.6  
1 1 1 2  26 25 o 22.85000       0.9971000     745.3242      127.9  
1 1 1 2  26 26 o 26.11000       1.025000      846.4221      47.7   
1 1 1 2  26 27 o 89.40000       2.084000      1692.643      101.9  
1 1 1 2  26 28 o 0.9384000      0.8418000     172.9587      -75.5  
1 1 1 2  26 29 o 8.107000       0.8719000     431.9955      -25.4  
1 1 1 2  26 30 o 30.04000       1.257000      832.4844      83.2   
1 1 1 2  26 31 o 4.440000       1.274000      261.4612      -177.5 
1 1 1 2  26 32 o 62.35000       2.236000      1486.977      -27.8  
1 1 1 2  26 33 o 2.278000       0.8861000     141.5610      -134.7 
1 1 1 2  26 34 o 58.54000       1.615000      1333.549      -57.5  
1 1 1 2  26 35 o 13.66000       0.9806000     680.2408      -72.0  
1 1 1 2  26 36 o 30.88000       1.202000      702.5935      -149.7 
1 1 1 2  26 37 o 23.83000       1.123000      682.6048      -75.9  
1 1 1 2  26 38 o 18.54000       1.136000      640.7748      -156.7 
1 1 1 2  26 39 o 38.66000       1.730000      813.7904      -53.1  
1 1 1 2  26 40 o 2.961000       1.087000      112.8615      9.9    
1 1 1 2  26 41 o 1.438000       0.9970000     42.42426      103.4  
1 1 1 2  26 42 o 50.52000       1.608000      1117.246      -145.2 
1 1 1 2  26 43 o 8.610000       1.103000      616.7183      -75.2  
1 1 1 2  26 44 o 27.84000       1.319000      746.0341      -92.2  
1 1 1 2  26 45 o 11.20000       1.190000      487.8632      125.4  
1 1 1 2  26 46 o 20.34000       1.308000      677.2269      146.7  
1 1 1 2  26 47 o 1.503000       1.321000      339.3783      78.5   
1 1 1 2  26 48 o -0.7498000E-01 1.712000      125.0498      6.3    
1 1 1 2  26 49 o -2.265000      1.526000      72.94853      122.7  
1 1 1 2  26 50 o 10.80000       1.504000      462.4953      -158.9 
1 1 1 2  26 51 o 22.37000       1.485000      704.4225      -147.4 
1 1 1 2  26 52 o 4.408000       1.428000      216.0626      -117.0 
1 1 1 2  26 53 o 12.23000       1.434000      559.0356      -20.9  
1 1 1 2  26 54 o 29.27000       1.789000      679.9972      145.6  
1 1 1 2  26 55 o 10.60000       1.576000      ?             ?      
1 1 1 2  26 56 o 12.82000       1.426000      ?             ?      
1 1 1 2  26 57 o 15.65000       1.463000      ?             ?      
1 1 1 2  26 59 o 9.333000       1.486000      ?             ?      
1 1 1 2  26 60 o 11.36000       1.605000      ?             ?      
1 1 1 2  26 61 o 9.443000       1.834000      ?             ?      
1 1 1 2  26 62 o 2.737000       1.571000      ?             ?      
1 1 1 2  26 63 o 3.673000       1.453000      ?             ?      
1 1 1 2  26 64 o -0.4072000     1.991000      ?             ?      
1 1 1 2  26 65 o 0.1700000      1.541000      ?             ?      
1 1 1 2  26 66 o 0.9798000      1.333000      ?             ?      
1 1 1 2  26 68 f -0.6581000     1.778000      ?             ?      
1 1 1 2  26 69 o 3.460000       1.566000      ?             ?      
1 1 1 2  26 71 o 0.7540000      1.408000      ?             ?      
1 1 1 2  27 0  o 9.189000       0.9806000     511.7924      180.0  
1 1 1 2  27 1  o 51.63000       1.274000      1028.183      112.0  
1 1 1 2  27 2  o 19.56000       0.8741000     643.8423      -45.2  
1 1 1 2  27 3  o 180.8000       3.967000      2177.640      -107.9 
1 1 1 2  27 4  o 66.54000       1.932000      1036.606      80.2   
1 1 1 2  27 5  o 35.78000       1.221000      657.7578      147.7  
1 1 1 2  27 6  o 28.97000       0.9285000     1087.415      175.6  
1 1 1 2  27 7  o 36.38000       0.9673000     987.8525      48.8   
1 1 1 2  27 8  o 45.55000       1.118000      851.6614      89.2   
1 1 1 2  27 9  o 33.01000       1.120000      867.7427      -126.0 
1 1 1 2  27 10 o 25.01000       1.214000      1199.625      -87.8  
1 1 1 2  27 11 o 36.82000       1.454000      771.1552      179.8  
1 1 1 2  27 12 o 232.2000       5.736000      1988.554      169.2  
1 1 1 2  27 13 o 157.2000       4.697000      1744.967      -70.1  
1 1 1 2  27 14 o 6.996000       1.321000      463.5551      108.2  
1 1 1 2  27 15 o 144.9000       4.388000      1973.729      -137.8 
1 1 1 2  27 16 o 4.704000       0.9645000     367.4358      54.1   
1 1 1 2  27 17 o 0.9538000      0.9820000     272.3498      -43.4  
1 1 1 2  27 18 o 16.97000       1.166000      649.9629      -91.9  
1 1 1 2  27 19 o 31.22000       1.491000      631.0753      -14.0  
1 1 1 2  27 20 o 58.44000       1.714000      871.6826      31.6   
1 1 1 2  27 21 o 51.00000       1.610000      766.9153      160.3  
1 1 1 2  27 22 o 2.176000       0.7021000     197.5154      -15.0  
1 1 1 2  27 23 f 17.25000       0.8711000     578.7565      35.9   
1 1 1 2  27 24 o 5.124000       0.7373000     481.2404      -152.8 
1 1 1 2  27 25 o 13.03000       0.8287000     516.8429      68.5   
1 1 1 2  27 26 o 9.185000       0.8659000     359.4050      -62.7  
1 1 1 2  27 27 o 2.196000       0.8509000     211.5976      -105.5 
1 1 1 2  27 28 o 0.6786000      0.8304000     78.10201      113.7  
1 1 1 2  27 29 f 25.28000       1.023000      759.1461      110.7  
1 1 1 2  27 30 o 4.712000       0.8430000     397.9724      96.2   
1 1 1 2  27 31 o 20.76000       1.123000      677.6500      35.2   
1 1 1 2  27 32 o 77.19000       2.656000      1268.089      52.6   
1 1 1 2  27 33 o 29.74000       1.272000      968.6549      110.6  
1 1 1 2  27 34 o 56.52000       1.568000      1032.413      -88.0  
1 1 1 2  27 35 o 67.98000       1.769000      1171.515      -12.7  
1 1 1 2  27 36 o 4.485000       0.9282000     277.4498      56.9   
1 1 1 2  27 37 o 2.352000       0.9275000     125.0291      55.2   
1 1 1 2  27 38 o 11.27000       1.093000      350.2664      116.5  
1 1 1 2  27 39 f 18.43000       1.223000      694.2590      55.0   
1 1 1 2  27 40 o 17.21000       1.115000      535.4392      -23.8  
1 1 1 2  27 41 o 87.08000       2.194000      1349.687      -51.2  
1 1 1 2  27 42 o 9.141000       1.067000      429.9715      -7.2   
1 1 1 2  27 43 o 0.7273000      1.046000      136.2118      49.6   
1 1 1 2  27 44 o 12.19000       1.168000      331.6232      71.7   
1 1 1 2  27 45 o 7.050000       1.173000      305.2927      114.2  
1 1 1 2  27 46 o 6.714000       1.196000      339.5909      27.7   
1 1 1 2  27 47 o 4.841000       1.220000      326.9522      68.8   
1 1 1 2  27 48 o 1.351000       1.467000      103.1316      100.5  
1 1 1 2  27 49 o 1.783000       2.020000      117.0835      -58.9  
1 1 1 2  27 50 o 50.85000       2.026000      1098.913      -68.8  
1 1 1 2  27 51 o 10.20000       1.383000      461.3361      -108.5 
1 1 1 2  27 52 o 5.053000       1.363000      396.0120      -26.7  
1 1 1 2  27 53 o 2.445000       1.504000      214.3336      175.5  
1 1 1 2  27 54 o 1.288000       1.728000      ?             ?      
1 1 1 2  27 55 o 1.875000       1.488000      ?             ?      
1 1 1 2  27 56 o 32.52000       1.629000      ?             ?      
1 1 1 2  27 57 o 12.75000       1.575000      ?             ?      
1 1 1 2  27 58 o 1.060000       1.542000      ?             ?      
1 1 1 2  27 59 o 0.7355000      1.426000      ?             ?      
1 1 1 2  27 60 o 0.4996000      1.556000      ?             ?      
1 1 1 2  27 62 o 0.9149000      1.302000      ?             ?      
1 1 1 2  27 63 o 3.091000       1.316000      ?             ?      
1 1 1 2  27 64 o -0.4520000     1.552000      ?             ?      
1 1 1 2  27 65 o 1.216000       2.209000      ?             ?      
1 1 1 2  27 66 o 8.059000       1.397000      ?             ?      
1 1 1 2  27 67 o -1.792000      1.499000      ?             ?      
1 1 1 2  27 68 o -2.197000      1.530000      ?             ?      
1 1 1 2  27 69 o 4.534000       1.429000      ?             ?      
1 1 1 2  27 70 o 0.7753000      1.406000      ?             ?      
1 1 1 2  28 0  o 4.035000       1.017000      33.23489      -180.0 
1 1 1 2  28 1  o 12.23000       0.7778000     387.2372      -23.5  
1 1 1 2  28 2  o 14.86000       0.8129000     519.4746      -126.4 
1 1 1 2  28 3  o 51.73000       1.406000      890.4005      9.8    
1 1 1 2  28 4  o 40.80000       1.387000      868.9452      -37.3  
1 1 1 2  28 5  o 31.16000       1.081000      570.7582      -169.8 
1 1 1 2  28 6  o 58.71000       1.406000      698.4994      -80.4  
1 1 1 2  28 7  o 53.40000       1.292000      1130.904      -138.3 
1 1 1 2  28 8  o 27.12000       0.8251000     842.7099      97.9   
1 1 1 2  28 9  f 39.39000       1.121000      1142.845      12.3   
1 1 1 2  28 10 o 15.63000       1.052000      707.8933      37.6   
1 1 1 2  28 11 o 2.840000       0.9635000     205.8873      161.8  
1 1 1 2  28 12 o 79.15000       2.256000      1178.969      -62.9  
1 1 1 2  28 13 o 2.457000       1.301000      391.7713      -138.6 
1 1 1 2  28 14 o 25.79000       1.585000      657.3958      106.6  
1 1 1 2  28 15 o 10.69000       1.406000      395.4980      -114.3 
1 1 1 2  28 16 o 74.02000       2.331000      1298.207      -27.5  
1 1 1 2  28 17 o 110.8000       2.977000      1468.679      24.4   
1 1 1 2  28 18 o 24.23000       1.226000      602.5161      37.0   
1 1 1 2  28 19 o -1.055000      0.7831000     87.38494      -138.5 
1 1 1 2  28 20 o 34.62000       1.564000      782.8776      43.3   
1 1 1 2  28 21 o 36.46000       1.428000      877.4318      32.5   
1 1 1 2  28 22 o 13.61000       1.042000      562.4001      73.9   
1 1 1 2  28 23 o 71.33000       2.105000      1396.706      81.4   
1 1 1 2  28 24 o 35.81000       1.201000      904.7589      140.9  
1 1 1 2  28 25 o 1.221000       0.7110000     93.66077      -87.4  
1 1 1 2  28 26 o 15.79000       0.8973000     530.8900      105.1  
1 1 1 2  28 27 o 4.571000       0.7964000     195.9806      -20.4  
1 1 1 2  28 28 o 6.403000       0.7877000     418.1763      23.3   
1 1 1 2  28 29 o 8.325000       0.8687000     562.4821      142.8  
1 1 1 2  28 30 o 15.61000       0.9672000     571.5011      134.0  
1 1 1 2  28 31 o 44.41000       1.533000      836.3116      -126.6 
1 1 1 2  28 32 o 6.077000       1.341000      403.5523      -68.1  
1 1 1 2  28 33 o 10.72000       1.386000      513.0415      86.7   
1 1 1 2  28 34 o 12.28000       1.064000      437.1087      -130.4 
1 1 1 2  28 35 o 19.17000       1.055000      457.7226      172.7  
1 1 1 2  28 36 o 61.72000       1.682000      1036.272      50.2   
1 1 1 2  28 37 o 11.21000       1.063000      441.5154      -89.2  
1 1 1 2  28 38 o 3.206000       1.151000      150.9532      -171.2 
1 1 1 2  28 39 o 5.706000       1.076000      283.9897      37.8   
1 1 1 2  28 40 o 12.89000       1.073000      480.2892      -168.3 
1 1 1 2  28 41 o -0.7074000     1.008000      121.6126      -133.9 
1 1 1 2  28 42 o 3.954000       1.050000      290.4818      -95.2  
1 1 1 2  28 43 o 3.843000       1.083000      278.8675      133.9  
1 1 1 2  28 44 o 0.3879000      1.100000      82.79473      178.3  
1 1 1 2  28 45 o 5.920000       1.168000      309.1501      115.6  
1 1 1 2  28 46 o 7.013000       1.207000      275.0555      -173.9 
1 1 1 2  28 47 o 9.203000       1.258000      408.3313      171.3  
1 1 1 2  28 48 o 13.25000       1.444000      497.3359      -2.0   
1 1 1 2  28 49 o 4.708000       1.848000      268.9753      -145.1 
1 1 1 2  28 50 o -0.1690000     1.873000      209.8033      -131.2 
1 1 1 2  28 51 o 45.17000       1.801000      966.9421      -32.0  
1 1 1 2  28 52 o 5.842000       1.380000      411.4871      109.6  
1 1 1 2  28 53 o 1.242000       1.499000      9.424127      -170.1 
1 1 1 2  28 54 o 11.42000       1.559000      ?             ?      
1 1 1 2  28 55 o 5.249000       1.473000      ?             ?      
1 1 1 2  28 56 o 10.43000       1.622000      ?             ?      
1 1 1 2  28 57 o 4.857000       1.452000      ?             ?      
1 1 1 2  28 58 o 5.520000       1.535000      ?             ?      
1 1 1 2  28 59 o 2.037000       1.266000      ?             ?      
1 1 1 2  28 60 o 2.605000       1.292000      ?             ?      
1 1 1 2  28 61 o 1.495000       1.291000      ?             ?      
1 1 1 2  28 62 o 4.671000       1.312000      ?             ?      
1 1 1 2  28 63 o 5.502000       1.323000      ?             ?      
1 1 1 2  28 64 o 2.096000       1.446000      ?             ?      
1 1 1 2  28 65 o 3.038000       2.090000      ?             ?      
1 1 1 2  28 66 o 1.032000       1.872000      ?             ?      
1 1 1 2  28 67 o 2.808000       1.778000      ?             ?      
1 1 1 2  28 68 o 2.343000       1.546000      ?             ?      
1 1 1 2  28 69 o 0.7717000      1.403000      ?             ?      
1 1 1 2  28 70 o 4.493000       1.429000      ?             ?      
1 1 1 2  29 0  o 25.21000       1.373000      998.2648      -0.0   
1 1 1 2  29 1  o 15.25000       0.8515000     625.8534      -49.4  
1 1 1 2  29 2  o 5.330000       0.7908000     77.99960      -66.4  
1 1 1 2  29 3  o 18.00000       1.047000      557.6465      60.8   
1 1 1 2  29 4  o 30.10000       1.197000      826.7793      96.8   
1 1 1 2  29 5  o 26.04000       0.9806000     648.0579      141.9  
1 1 1 2  29 6  o 20.24000       0.8212000     346.0192      -149.1 
1 1 1 2  29 7  o 46.49000       1.199000      919.9357      58.0   
1 1 1 2  29 8  o 35.65000       1.105000      569.7447      -164.4 
1 1 1 2  29 9  o 4.646000       0.6101000     394.2661      -34.5  
1 1 1 2  29 10 o 24.59000       1.277000      422.8442      -148.4 
1 1 1 2  29 11 o 7.697000       0.9975000     330.6248      -163.3 
1 1 1 2  29 12 o 5.054000       0.9748000     118.3421      10.0   
1 1 1 2  29 13 o 38.03000       2.528000      737.5061      0.8    
1 1 1 2  29 14 o 19.71000       1.504000      600.1367      132.0  
1 1 1 2  29 15 o 16.03000       1.483000      223.0217      -25.0  
1 1 1 2  29 16 o 30.09000       1.703000      544.2734      -43.6  
1 1 1 2  29 17 o 16.40000       1.474000      392.5046      151.6  
1 1 1 2  29 18 o 12.26000       1.421000      478.3303      5.9    
1 1 1 2  29 19 o 4.692000       1.019000      361.3840      -64.2  
1 1 1 2  29 20 o 17.72000       1.389000      674.6850      93.8   
1 1 1 2  29 21 o 21.67000       1.701000      627.0366      -168.6 
1 1 1 2  29 22 o 17.19000       0.9788000     575.8411      -161.5 
1 1 1 2  29 23 o 23.76000       0.9253000     559.1143      3.1    
1 1 1 2  29 24 o 7.498000       0.6499000     385.5147      132.5  
1 1 1 2  29 25 o 8.095000       0.6868000     382.7901      47.7   
1 1 1 2  29 26 o 7.989000       0.7221000     454.4003      -165.3 
1 1 1 2  29 27 o 17.88000       0.8448000     535.8529      117.9  
1 1 1 2  29 28 o 0.9141000      0.7571000     195.4041      104.6  
1 1 1 2  29 29 o 5.473000       0.8328000     290.0410      166.3  
1 1 1 2  29 30 o 6.037000       0.8344000     253.2165      -23.2  
1 1 1 2  29 31 o 7.391000       0.8383000     352.0552      -8.4   
1 1 1 2  29 32 o 2.150000       1.041000      139.1381      156.2  
1 1 1 2  29 33 o 2.641000       1.692000      158.6892      -79.9  
1 1 1 2  29 34 o 1.521000       1.669000      193.5365      -94.9  
1 1 1 2  29 35 o 12.83000       0.9772000     466.1072      -10.7  
1 1 1 2  29 36 o 19.43000       1.069000      682.7357      98.0   
1 1 1 2  29 37 o 4.814000       1.027000      292.1312      168.6  
1 1 1 2  29 38 o 3.872000       1.069000      162.9991      79.2   
1 1 1 2  29 39 o 18.36000       1.115000      630.4470      -70.3  
1 1 1 2  29 40 o 11.11000       1.057000      487.3591      -65.5  
1 1 1 2  29 41 o 41.24000       1.458000      829.8349      -8.1   
1 1 1 2  29 42 o 3.548000       1.051000      215.3913      165.4  
1 1 1 2  29 43 o 0.8660000      1.075000      2.678729      -87.6  
1 1 1 2  29 44 o 1.759000       1.117000      98.63851      -151.1 
1 1 1 2  29 45 o 7.630000       1.182000      353.0826      -62.0  
1 1 1 2  29 46 o 11.57000       1.242000      400.7759      54.3   
1 1 1 2  29 47 o 8.225000       1.263000      279.4425      -129.9 
1 1 1 2  29 48 o 3.226000       1.264000      181.6272      -85.5  
1 1 1 2  29 49 o 12.87000       1.498000      542.0640      98.0   
1 1 1 2  29 50 o 7.391000       2.140000      337.0542      -62.0  
1 1 1 2  29 51 o 1.006000       1.753000      109.1059      13.7   
1 1 1 2  29 52 o 8.314000       1.538000      426.6215      38.2   
1 1 1 2  29 53 o 11.58000       1.978000      ?             ?      
1 1 1 2  29 54 o 2.089000       1.791000      ?             ?      
1 1 1 2  29 55 o 1.212000       1.443000      ?             ?      
1 1 1 2  29 56 o 1.138000       1.499000      ?             ?      
1 1 1 2  29 57 o 0.7584000      1.238000      ?             ?      
1 1 1 2  29 58 o -0.1093000     1.239000      ?             ?      
1 1 1 2  29 59 o 1.297000       1.248000      ?             ?      
1 1 1 2  29 60 o 4.796000       1.297000      ?             ?      
1 1 1 2  29 61 o 6.295000       1.303000      ?             ?      
1 1 1 2  29 62 o 0.2289000      1.277000      ?             ?      
1 1 1 2  29 63 o 0.5796000      1.288000      ?             ?      
1 1 1 2  29 64 o -0.7323000     1.305000      ?             ?      
1 1 1 2  29 65 o -1.348000      1.588000      ?             ?      
1 1 1 2  29 66 o 4.798000       2.520000      ?             ?      
1 1 1 2  29 67 o -2.719000      1.735000      ?             ?      
1 1 1 2  29 69 o -0.5015000     1.388000      ?             ?      
1 1 1 2  30 0  o 9.322000       1.407000      408.2712      -0.0   
1 1 1 2  30 1  o 8.153000       0.8527000     346.6902      69.2   
1 1 1 2  30 2  o 14.63000       0.9486000     324.3967      -106.6 
1 1 1 2  30 3  o 24.74000       1.218000      582.5197      -142.5 
1 1 1 2  30 4  o 3.502000       0.8565000     170.3714      172.4  
1 1 1 2  30 5  o 1.245000       0.7271000     416.0286      -132.6 
1 1 1 2  30 6  o 2.402000       0.6891000     279.1389      -17.9  
1 1 1 2  30 7  o 12.32000       0.7093000     355.1331      -147.7 
1 1 1 2  30 8  o 5.061000       0.5881000     158.5234      66.1   
1 1 1 2  30 9  o 6.484000       0.5565000     469.6964      49.5   
1 1 1 2  30 10 o 3.463000       1.065000      229.0554      -9.9   
1 1 1 2  30 11 o 23.69000       1.274000      546.6855      -79.4  
1 1 1 2  30 12 o 57.43000       2.229000      935.0442      125.0  
1 1 1 2  30 13 o 15.93000       2.035000      340.3829      152.7  
1 1 1 2  30 14 o 0.7837000      1.341000      199.4318      50.6   
1 1 1 2  30 15 o 27.03000       1.627000      371.8207      30.5   
1 1 1 2  30 16 o 2.194000       1.355000      288.4513      -30.4  
1 1 1 2  30 17 o 4.433000       1.355000      142.5725      152.7  
1 1 1 2  30 18 o 1.189000       1.353000      121.1922      -42.6  
1 1 1 2  30 19 o 12.71000       1.496000      448.3637      38.2   
1 1 1 2  30 20 o 1.398000       1.419000      276.0695      53.6   
1 1 1 2  30 21 o 2.788000       0.8811000     147.4512      -105.2 
1 1 1 2  30 22 o 7.508000       0.9894000     280.3645      83.7   
1 1 1 2  30 23 o 6.474000       0.6998000     358.1192      72.5   
1 1 1 2  30 24 o 0.7402000      0.5765000     113.4006      131.9  
1 1 1 2  30 25 o 4.541000       0.6354000     59.30241      68.2   
1 1 1 2  30 26 o 0.3871000      0.6538000     202.2545      167.9  
1 1 1 2  30 27 o 2.892000       0.7106000     207.2592      -118.5 
1 1 1 2  30 28 o 14.96000       0.8948000     445.7708      126.9  
1 1 1 2  30 29 o 6.682000       0.7628000     245.8331      116.7  
1 1 1 2  30 30 o 8.087000       0.8425000     322.8663      -131.2 
1 1 1 2  30 31 o 5.809000       0.8526000     386.0883      -105.5 
1 1 1 2  30 32 f 8.501000       0.9491000     202.9289      79.0   
1 1 1 2  30 33 o 3.370000       1.147000      293.1339      -95.4  
1 1 1 2  30 34 o 13.92000       1.481000      456.3930      179.7  
1 1 1 2  30 35 o 3.267000       1.105000      210.1884      97.1   
1 1 1 2  30 36 o 15.73000       1.104000      457.6008      40.1   
1 1 1 2  30 37 o 12.19000       1.232000      340.5049      -160.6 
1 1 1 2  30 38 o 7.385000       1.111000      368.3107      97.6   
1 1 1 2  30 39 o 16.59000       1.096000      493.4939      173.6  
1 1 1 2  30 40 o 3.087000       1.008000      183.0145      -69.6  
1 1 1 2  30 41 o 0.4919000      1.010000      144.5873      38.6   
1 1 1 2  30 42 o 3.835000       1.056000      142.3160      75.1   
1 1 1 2  30 43 o 1.145000       1.094000      201.8846      -19.2  
1 1 1 2  30 44 o 1.192000       1.137000      84.91386      -135.8 
1 1 1 2  30 45 o 5.870000       1.200000      323.5096      139.0  
1 1 1 2  30 46 o 6.848000       1.231000      334.1942      88.6   
1 1 1 2  30 47 o 7.476000       1.270000      351.7614      174.3  
1 1 1 2  30 48 o 1.697000       1.260000      119.3633      -55.7  
1 1 1 2  30 49 o 8.605000       1.349000      427.2059      176.7  
1 1 1 2  30 50 o -0.8266000     1.885000      93.06496      -42.6  
1 1 1 2  30 51 o 11.02000       1.993000      457.0769      -7.4   
1 1 1 2  30 52 o 1.816000       1.913000      ?             ?      
1 1 1 2  30 53 o 2.898000       1.727000      ?             ?      
1 1 1 2  30 54 o -0.9654000     1.431000      ?             ?      
1 1 1 2  30 55 o 1.771000       1.410000      ?             ?      
1 1 1 2  30 56 o 1.727000       1.239000      ?             ?      
1 1 1 2  30 57 o -0.1227000     1.225000      ?             ?      
1 1 1 2  30 58 o 2.109000       1.235000      ?             ?      
1 1 1 2  30 59 o 2.660000       1.245000      ?             ?      
1 1 1 2  30 60 o 3.267000       1.265000      ?             ?      
1 1 1 2  30 61 o 1.101000       1.253000      ?             ?      
1 1 1 2  30 62 o -0.2970000     1.275000      ?             ?      
1 1 1 2  30 63 o 1.750000       1.282000      ?             ?      
1 1 1 2  30 64 o 2.491000       1.309000      ?             ?      
1 1 1 2  30 65 o -0.8331000     1.656000      ?             ?      
1 1 1 2  30 66 o -1.045000      3.564000      ?             ?      
1 1 1 2  30 67 o 0.4938000E-01  1.923000      ?             ?      
1 1 1 2  30 68 o 0.6335000E-01  1.375000      ?             ?      
1 1 1 2  30 69 o 3.556000       1.407000      ?             ?      
1 1 1 2  31 0  o 14.27000       1.331000      28.25006      -180.0 
1 1 1 2  31 1  o 4.824000       0.8701000     157.9530      -91.6  
1 1 1 2  31 2  o 6.678000       0.9744000     222.3446      121.3  
1 1 1 2  31 3  o -0.1251000     1.006000      104.5151      128.0  
1 1 1 2  31 4  o 21.35000       0.9768000     585.4440      -76.5  
1 1 1 2  31 5  o 24.00000       1.279000      410.2355      98.3   
1 1 1 2  31 6  o 3.377000       0.6964000     250.7413      151.1  
1 1 1 2  31 7  o 8.507000       0.6815000     415.5058      28.3   
1 1 1 2  31 8  o 6.895000       0.6210000     309.4184      159.9  
1 1 1 2  31 9  o 20.08000       0.8070000     530.2925      134.0  
1 1 1 2  31 10 o 13.84000       1.146000      231.4838      103.5  
1 1 1 2  31 11 o 5.011000       1.082000      280.2117      -51.7  
1 1 1 2  31 12 o -2.631000      1.310000      58.19785      -65.9  
1 1 1 2  31 13 o 7.970000       1.349000      238.8503      -86.6  
1 1 1 2  31 14 o 21.17000       1.530000      206.6069      -125.5 
1 1 1 2  31 15 o 2.123000       1.329000      161.9209      45.5   
1 1 1 2  31 16 o 13.45000       1.433000      279.3527      -170.7 
1 1 1 2  31 17 o 4.732000       1.363000      102.8654      -172.1 
1 1 1 2  31 18 o 3.797000       1.372000      154.7136      27.1   
1 1 1 2  31 19 o 15.91000       2.123000      335.5808      -54.9  
1 1 1 2  31 21 o 3.440000       1.513000      100.6728      -83.7  
1 1 1 2  31 22 o 6.214000       1.127000      315.2518      112.1  
1 1 1 2  31 23 o -1.065000      1.031000      113.2206      -148.4 
1 1 1 2  31 24 o 10.03000       0.7336000     305.2579      128.3  
1 1 1 2  31 25 o 9.658000       0.7616000     309.4156      15.6   
1 1 1 2  31 26 o 4.817000       0.6469000     304.8340      173.3  
1 1 1 2  31 27 o 4.647000       0.6802000     227.4479      -88.5  
1 1 1 2  31 28 o 0.8534000      0.6900000     132.5161      -162.8 
1 1 1 2  31 29 o 10.74000       0.7859000     448.9111      -158.6 
1 1 1 2  31 30 o 0.3065000      0.7450000     19.24690      -14.9  
1 1 1 2  31 31 o 11.83000       0.9579000     205.3612      -48.8  
1 1 1 2  31 32 o 1.457000       0.7968000     16.52217      -160.6 
1 1 1 2  31 33 o 5.719000       0.9551000     235.7315      106.4  
1 1 1 2  31 34 o 1.708000       1.807000      224.9943      88.1   
1 1 1 2  31 35 o 38.94000       4.566000      678.0419      -104.0 
1 1 1 2  31 36 o 5.477000       1.447000      376.2680      142.5  
1 1 1 2  31 37 o 3.439000       1.050000      228.4589      157.1  
1 1 1 2  31 38 o 4.201000       1.024000      268.9250      -86.2  
1 1 1 2  31 39 o 14.97000       1.199000      278.9584      -120.6 
1 1 1 2  31 40 o 9.015000       1.117000      245.8759      -6.4   
1 1 1 2  31 41 o 1.794000       1.047000      169.4858      -35.8  
1 1 1 2  31 42 o 2.730000       1.080000      272.2453      139.3  
1 1 1 2  31 43 o 1.733000       1.121000      131.2563      -88.5  
1 1 1 2  31 44 o 4.063000       1.177000      96.90496      82.7   
1 1 1 2  31 45 o 5.692000       1.213000      197.0034      -167.5 
1 1 1 2  31 46 o 8.387000       1.266000      317.4986      -157.3 
1 1 1 2  31 47 o -0.4389000     1.234000      42.73074      -64.2  
1 1 1 2  31 48 o -0.6169000     1.264000      55.26549      3.7    
1 1 1 2  31 49 o 10.91000       1.522000      322.0624      125.9  
1 1 1 2  31 50 o 7.312000       1.626000      300.4654      -75.3  
1 1 1 2  31 51 o 0.6394000E-01  2.404000      ?             ?      
1 1 1 2  31 52 o -1.391000      2.735000      ?             ?      
1 1 1 2  31 53 o 7.687000       1.450000      ?             ?      
1 1 1 2  31 54 o 2.500000       1.279000      ?             ?      
1 1 1 2  31 55 o 2.806000       1.247000      ?             ?      
1 1 1 2  31 56 o -1.733000      1.214000      ?             ?      
1 1 1 2  31 57 o 0.8935000      1.214000      ?             ?      
1 1 1 2  31 58 o 2.503000       1.230000      ?             ?      
1 1 1 2  31 59 o 1.748000       1.240000      ?             ?      
1 1 1 2  31 60 o -1.052000      1.236000      ?             ?      
1 1 1 2  31 61 o 1.725000       1.338000      ?             ?      
1 1 1 2  31 62 o -1.405000      1.261000      ?             ?      
1 1 1 2  31 63 o -1.111000      1.280000      ?             ?      
1 1 1 2  31 64 o 5.823000       1.344000      ?             ?      
1 1 1 2  31 65 o -0.6251000     1.461000      ?             ?      
1 1 1 2  31 66 o 4.019000       1.938000      ?             ?      
1 1 1 2  31 67 o 1.583000       2.318000      ?             ?      
1 1 1 2  31 68 o 1.530000       1.521000      ?             ?      
1 1 1 2  32 0  o 11.01000       1.298000      224.6026      -0.0   
1 1 1 2  32 1  f 6.204000       0.9423000     153.8970      57.3   
1 1 1 2  32 2  o 25.63000       1.276000      445.2994      -91.8  
1 1 1 2  32 3  o 39.16000       2.437000      587.3046      -92.3  
1 1 1 2  32 4  o 28.65000       1.201000      343.5924      -111.7 
1 1 1 2  32 5  o 0.1367000      0.7596000     126.3247      48.5   
1 1 1 2  32 6  o 0.8990000      0.6755000     383.6973      6.7    
1 1 1 2  32 7  o 5.766000       0.6821000     200.1629      14.5   
1 1 1 2  32 8  o 5.458000       0.5991000     153.5918      174.0  
1 1 1 2  32 9  o 3.800000       0.5100000     201.6850      -143.6 
1 1 1 2  32 10 f 2.364000       0.6947000     146.3599      -164.3 
1 1 1 2  32 11 o 14.17000       1.122000      192.8889      -108.8 
1 1 1 2  32 12 o 13.22000       1.390000      192.9418      112.5  
1 1 1 2  32 13 o 6.145000       1.895000      83.68753      -39.4  
1 1 1 2  32 14 o -2.279000      1.289000      70.49903      -8.2   
1 1 1 2  32 15 o 1.259000       1.284000      70.20864      -104.2 
1 1 1 2  32 16 o 14.81000       1.410000      278.3683      -25.7  
1 1 1 2  32 17 o 12.44000       1.425000      246.5798      -67.8  
1 1 1 2  32 18 o 11.28000       1.446000      170.8295      -5.4   
1 1 1 2  32 19 o 9.749000       2.073000      151.8867      61.1   
1 1 1 2  32 20 o 11.35000       3.167000      132.9585      -134.0 
1 1 1 2  32 21 o 1.680000       1.427000      124.6637      15.9   
1 1 1 2  32 22 o 7.550000       1.069000      389.4307      -28.3  
1 1 1 2  32 23 o 3.179000       0.7485000     96.24344      -36.4  
1 1 1 2  32 24 o 2.967000       0.8786000     182.5365      -176.8 
1 1 1 2  32 25 o 0.9641000      0.6497000     180.3079      160.8  
1 1 1 2  32 26 o 2.194000       0.5887000     37.57835      -29.7  
1 1 1 2  32 27 o 3.813000       0.6419000     226.8688      -147.3 
1 1 1 2  32 28 o 2.479000       0.6736000     85.10787      -143.7 
1 1 1 2  32 29 o -0.2495000     0.7012000     37.57657      -59.0  
1 1 1 2  32 30 o 19.46000       1.071000      401.1592      14.6   
1 1 1 2  32 31 o 0.2904000      0.7447000     23.21821      -28.4  
1 1 1 2  32 32 o 0.3744000      0.7789000     135.0969      122.2  
1 1 1 2  32 33 o 9.628000       0.9746000     182.3580      -132.4 
1 1 1 2  32 34 o 1.358000       0.9657000     141.4093      -147.1 
1 1 1 2  32 35 o 6.518000       1.894000      243.4953      -120.3 
1 1 1 2  32 36 o 4.875000       2.404000      175.2833      6.1    
1 1 1 2  32 37 f 8.941000       1.277000      298.7064      91.7   
1 1 1 2  32 38 o 5.362000       1.097000      187.3960      133.6  
1 1 1 2  32 39 o -1.183000      1.054000      87.94073      19.7   
1 1 1 2  32 40 o 5.110000       1.053000      271.8874      2.8    
1 1 1 2  32 41 o 2.109000       1.141000      155.9976      -113.0 
1 1 1 2  32 42 o 6.891000       1.253000      227.5578      30.9   
1 1 1 2  32 43 f 2.060000       1.208000      30.73972      166.9  
1 1 1 2  32 44 o 6.017000       1.205000      258.2972      163.6  
1 1 1 2  32 45 o 5.982000       1.218000      189.7059      52.7   
1 1 1 2  32 46 o 6.894000       1.247000      182.9975      78.4   
1 1 1 2  32 47 o -0.8236000     1.450000      202.3253      144.4  
1 1 1 2  32 48 o 1.064000       1.385000      40.81183      -93.9  
1 1 1 2  32 49 o 6.739000       1.582000      306.1051      -30.5  
1 1 1 2  32 50 o 3.079000       1.574000      201.6865      30.7   
1 1 1 2  32 51 o -0.8911000     2.101000      ?             ?      
1 1 1 2  32 52 o 3.010000       2.432000      ?             ?      
1 1 1 2  32 53 o 0.3507000      1.399000      ?             ?      
1 1 1 2  32 54 o 1.511000       1.228000      ?             ?      
1 1 1 2  32 55 o 3.559000       1.227000      ?             ?      
1 1 1 2  32 56 o 8.474000       1.279000      ?             ?      
1 1 1 2  32 57 o -1.348000      1.209000      ?             ?      
1 1 1 2  32 58 o 3.046000       1.237000      ?             ?      
1 1 1 2  32 59 o 0.9779000      1.238000      ?             ?      
1 1 1 2  32 60 o 5.683000       1.280000      ?             ?      
1 1 1 2  32 61 o 1.463000       1.260000      ?             ?      
1 1 1 2  32 62 o 3.701000       1.277000      ?             ?      
1 1 1 2  32 63 o 0.1794000E-01  1.277000      ?             ?      
1 1 1 2  32 64 o 1.605000       1.429000      ?             ?      
1 1 1 2  32 65 o 0.5723000      1.650000      ?             ?      
1 1 1 2  32 66 o -0.1990000     2.131000      ?             ?      
1 1 1 2  32 67 o 2.117000       1.853000      ?             ?      
1 1 1 2  32 68 o 2.781000       1.954000      ?             ?      
1 1 1 2  33 0  o 14.22000       1.316000      153.1756      -0.0   
1 1 1 2  33 1  o 16.38000       1.229000      217.2027      61.1   
1 1 1 2  33 2  o 2.602000       1.015000      244.5969      64.0   
1 1 1 2  33 3  o -0.1148000     0.8450000     95.75967      -10.6  
1 1 1 2  33 4  o -2.200000      0.7614000     70.83698      165.0  
1 1 1 2  33 5  o 9.382000       0.8154000     417.1650      -48.2  
1 1 1 2  33 6  o 9.566000       0.7233000     364.8597      118.2  
1 1 1 2  33 7  o 5.890000       0.6630000     321.5104      94.9   
1 1 1 2  33 8  o -0.8682000     0.5867000     293.3883      -15.9  
1 1 1 2  33 9  o 12.62000       0.6875000     309.1952      61.5   
1 1 1 2  33 10 o 6.908000       0.6905000     495.4673      -26.7  
1 1 1 2  33 11 o 5.768000       1.040000      409.0450      -63.7  
1 1 1 2  33 12 o 1.305000       1.262000      170.9269      -96.1  
1 1 1 2  33 13 o 4.463000       1.299000      291.6353      -147.3 
1 1 1 2  33 14 o 3.974000       1.308000      385.7677      106.7  
1 1 1 2  33 15 o 3.012000       1.275000      116.2135      64.1   
1 1 1 2  33 16 o 15.43000       1.412000      354.5118      3.8    
1 1 1 2  33 17 o 1.629000       1.302000      100.0007      42.1   
1 1 1 2  33 18 o -0.4275000     1.770000      27.48007      112.9  
1 1 1 2  33 20 o 21.38000       2.383000      397.0886      -48.6  
1 1 1 2  33 21 o 26.62000       1.693000      727.4036      42.4   
1 1 1 2  33 22 o 10.53000       1.459000      400.0985      167.4  
1 1 1 2  33 23 o 15.06000       1.518000      403.5027      131.1  
1 1 1 2  33 24 o 3.155000       0.7482000     122.1079      16.9   
1 1 1 2  33 25 o 4.894000       0.8923000     70.59721      135.5  
1 1 1 2  33 26 o -0.8713000     0.6559000     56.89791      -83.6  
1 1 1 2  33 27 o 8.966000       0.7904000     287.3860      164.8  
1 1 1 2  33 28 o 0.9577000      0.6345000     89.30869      -128.3 
1 1 1 2  33 29 o 0.4937000      0.6748000     132.2740      157.2  
1 1 1 2  33 30 o 2.602000       0.7175000     37.97635      34.4   
1 1 1 2  33 31 o 12.72000       0.8886000     402.7916      -151.3 
1 1 1 2  33 32 o 6.591000       0.7954000     259.0520      -53.6  
1 1 1 2  33 33 o -0.6564000     0.8011000     38.32473      23.5   
1 1 1 2  33 34 o 11.89000       1.024000      337.1737      161.1  
1 1 1 2  33 35 o 3.812000       1.231000      84.36089      -139.7 
1 1 1 2  33 36 o 4.983000       1.928000      139.2981      -167.4 
1 1 1 2  33 37 o 0.2833000      1.072000      118.4662      164.4  
1 1 1 2  33 38 o 8.885000       1.003000      284.4494      149.4  
1 1 1 2  33 39 o -0.3566000     0.9792000     58.79692      -150.1 
1 1 1 2  33 40 o 2.760000       1.114000      113.3475      -83.8  
1 1 1 2  33 41 o 2.609000       1.222000      151.3453      123.6  
1 1 1 2  33 42 o 13.18000       1.341000      451.2903      -103.9 
1 1 1 2  33 43 o 2.566000       1.167000      143.1180      154.2  
1 1 1 2  33 44 o 7.311000       1.293000      296.6539      76.0   
1 1 1 2  33 45 o 8.361000       1.715000      256.7391      -142.7 
1 1 1 2  33 46 o 1.819000       1.454000      204.4119      -172.6 
1 1 1 2  33 47 o 4.989000       1.516000      248.9708      108.7  
1 1 1 2  33 48 o 0.6625000      1.394000      180.7307      79.3   
1 1 1 2  33 49 o 3.219000       1.273000      328.1269      -119.5 
1 1 1 2  33 50 o 5.306000       1.420000      ?             ?      
1 1 1 2  33 51 o 1.714000       1.597000      ?             ?      
1 1 1 2  33 52 o 2.886000       1.836000      ?             ?      
1 1 1 2  33 53 o 6.034000       1.835000      ?             ?      
1 1 1 2  33 54 o 2.492000       1.339000      ?             ?      
1 1 1 2  33 55 o 1.684000       1.189000      ?             ?      
1 1 1 2  33 56 o -0.5190000E-01 1.205000      ?             ?      
1 1 1 2  33 57 o 0.9873000      1.200000      ?             ?      
1 1 1 2  33 58 o 1.038000       1.220000      ?             ?      
1 1 1 2  33 59 o 7.597000       1.287000      ?             ?      
1 1 1 2  33 60 o 2.159000       1.256000      ?             ?      
1 1 1 2  33 61 o 0.5207000      1.240000      ?             ?      
1 1 1 2  33 62 o 2.224000       1.266000      ?             ?      
1 1 1 2  33 63 o 1.869000       1.303000      ?             ?      
1 1 1 2  33 64 o 0.9402000      1.435000      ?             ?      
1 1 1 2  33 65 o 2.022000       1.454000      ?             ?      
1 1 1 2  33 66 o 1.774000       1.315000      ?             ?      
1 1 1 2  33 67 o -2.841000      1.594000      ?             ?      
1 1 1 2  34 0  o 3.352000       1.313000      127.2195      180.0  
1 1 1 2  34 1  o 14.61000       1.120000      398.0376      -123.0 
1 1 1 2  34 2  o 6.952000       1.007000      173.5472      95.4   
1 1 1 2  34 3  o 7.026000       0.7900000     365.2204      90.0   
1 1 1 2  34 4  o 6.458000       0.7657000     222.1803      -28.4  
1 1 1 2  34 5  o 11.05000       0.8397000     281.6178      88.3   
1 1 1 2  34 6  o 5.878000       0.7057000     375.8850      112.0  
1 1 1 2  34 7  o 8.225000       0.7500000     399.9260      143.6  
1 1 1 2  34 8  o 6.919000       0.6292000     381.7526      107.2  
1 1 1 2  34 9  o 0.7970000      0.5259000     235.0584      99.0   
1 1 1 2  34 10 o 7.946000       0.9600000     316.5090      -63.6  
1 1 1 2  34 11 o 6.178000       0.9913000     389.1601      -49.9  
1 1 1 2  34 12 o 7.574000       1.297000      286.6673      -43.6  
1 1 1 2  34 13 f 23.21000       1.516000      293.6595      124.5  
1 1 1 2  34 14 o 4.263000       1.296000      412.6422      -12.0  
1 1 1 2  34 15 o 0.6986000E-01  1.253000      153.2873      -152.7 
1 1 1 2  34 16 o 10.72000       1.359000      266.1227      65.8   
1 1 1 2  34 17 o 14.81000       1.439000      506.6939      49.8   
1 1 1 2  34 18 o 4.207000       1.855000      266.9568      27.6   
1 1 1 2  34 19 o -2.174000      2.827000      109.3088      4.7    
1 1 1 2  34 20 o -0.1157000     1.948000      238.1098      -43.5  
1 1 1 2  34 21 o 2.612000       1.345000      200.3072      32.4   
1 1 1 2  34 22 o 12.77000       1.458000      348.0892      -127.5 
1 1 1 2  34 23 o 1.692000       1.367000      140.8416      30.7   
1 1 1 2  34 24 o 5.691000       1.384000      229.0480      127.2  
1 1 1 2  34 25 o 4.344000       0.7373000     280.8271      -122.0 
1 1 1 2  34 26 o 3.062000       0.8380000     127.9169      -85.6  
1 1 1 2  34 27 o 0.4533000      0.6635000     30.56278      119.5  
1 1 1 2  34 28 o 0.8758000      0.5912000     122.7586      -126.5 
1 1 1 2  34 29 o 4.912000       0.6979000     299.2989      -42.5  
1 1 1 2  34 30 o 14.15000       0.8619000     497.0366      -5.2   
1 1 1 2  34 31 o -1.032000      0.7168000     128.8366      -9.6   
1 1 1 2  34 32 o 4.512000       0.8009000     254.8928      -154.4 
1 1 1 2  34 33 o 18.77000       1.060000      518.6850      -115.4 
1 1 1 2  34 34 o 2.463000       0.8988000     267.5611      26.3   
1 1 1 2  34 35 o 2.494000       1.046000      161.1550      -76.4  
1 1 1 2  34 36 o 3.631000       1.283000      189.5491      123.7  
1 1 1 2  34 37 o 2.134000       1.464000      247.1661      -78.5  
1 1 1 2  34 38 o 2.308000       1.093000      121.8426      129.7  
1 1 1 2  34 39 o 11.50000       1.059000      425.5961      -76.8  
1 1 1 2  34 40 o 33.16000       1.494000      604.2876      163.6  
1 1 1 2  34 41 o 9.064000       1.113000      371.0864      -49.0  
1 1 1 2  34 42 o 0.5564000      1.231000      185.8284      167.8  
1 1 1 2  34 43 o 2.466000       1.497000      255.5046      -109.6 
1 1 1 2  34 44 o 0.6202000      1.548000      139.3638      -98.9  
1 1 1 2  34 45 o 9.763000       1.776000      340.4682      -22.0  
1 1 1 2  34 46 f 8.584000       1.339000      551.4808      -122.2 
1 1 1 2  34 47 o 3.381000       1.291000      182.2107      91.3   
1 1 1 2  34 48 o 2.722000       1.347000      229.6229      -66.0  
1 1 1 2  34 49 o 5.360000       1.394000      ?             ?      
1 1 1 2  34 50 o 1.862000       1.479000      ?             ?      
1 1 1 2  34 51 o -1.596000      1.350000      ?             ?      
1 1 1 2  34 52 o -0.4124000     1.317000      ?             ?      
1 1 1 2  34 53 o 4.694000       2.025000      ?             ?      
1 1 1 2  34 54 o 3.117000       1.455000      ?             ?      
1 1 1 2  34 55 o 2.555000       1.203000      ?             ?      
1 1 1 2  34 56 o 8.211000       1.244000      ?             ?      
1 1 1 2  34 57 o 3.088000       1.215000      ?             ?      
1 1 1 2  34 58 o 2.616000       1.219000      ?             ?      
1 1 1 2  34 59 o 0.1173000      1.221000      ?             ?      
1 1 1 2  34 60 o 2.372000       1.246000      ?             ?      
1 1 1 2  34 61 o 3.914000       1.249000      ?             ?      
1 1 1 2  34 62 o 2.266000       1.274000      ?             ?      
1 1 1 2  34 63 o 0.8887000      1.418000      ?             ?      
1 1 1 2  34 64 o -0.8141000     1.551000      ?             ?      
1 1 1 2  34 65 o 2.582000       1.391000      ?             ?      
1 1 1 2  34 66 o -1.155000      1.315000      ?             ?      
1 1 1 2  35 0  o 1.700000       1.303000      165.5926      0.0    
1 1 1 2  35 1  o 13.61000       1.112000      446.8479      -108.8 
1 1 1 2  35 2  o 9.815000       0.8824000     464.0443      -64.9  
1 1 1 2  35 3  o 0.6982000      0.7439000     288.3470      110.4  
1 1 1 2  35 4  o 5.356000       0.7477000     222.4205      -164.1 
1 1 1 2  35 5  o 9.109000       0.7638000     379.8386      -53.1  
1 1 1 2  35 6  o 33.33000       1.083000      869.1875      -82.1  
1 1 1 2  35 7  o 6.976000       0.6745000     502.5894      -53.1  
1 1 1 2  35 8  o 0.6402000      0.5870000     80.50226      39.6   
1 1 1 2  35 9  o 8.019000       0.5949000     342.8069      7.1    
1 1 1 2  35 10 o 0.8938000      0.5967000     198.3252      153.1  
1 1 1 2  35 11 o 9.757000       1.026000      242.8239      171.5  
1 1 1 2  35 12 o 13.27000       1.326000      556.5756      -94.0  
1 1 1 2  35 13 o 24.11000       1.509000      627.6321      102.5  
1 1 1 2  35 14 o 10.74000       1.324000      484.5827      91.9   
1 1 1 2  35 15 o 7.783000       1.303000      396.7585      -139.5 
1 1 1 2  35 16 o 16.56000       1.435000      523.7367      61.1   
1 1 1 2  35 17 o 18.94000       2.061000      600.1668      71.3   
1 1 1 2  35 19 o 12.55000       2.142000      322.1800      54.7   
1 1 1 2  35 20 o 12.66000       1.449000      355.5854      -16.6  
1 1 1 2  35 21 o 5.872000       1.366000      306.1744      34.2   
1 1 1 2  35 22 o 39.60000       1.927000      639.1472      -164.1 
1 1 1 2  35 23 o 0.9757000      1.341000      143.9943      -50.2  
1 1 1 2  35 24 o 6.806000       1.362000      355.1687      -58.6  
1 1 1 2  35 25 o 1.425000       1.335000      212.9726      167.6  
1 1 1 2  35 26 o 4.672000       0.7522000     371.0667      92.5   
1 1 1 2  35 27 o 6.427000       0.8644000     451.2108      -162.8 
1 1 1 2  35 28 o 5.985000       0.7110000     284.3437      -78.6  
1 1 1 2  35 29 o 1.538000       0.6220000     178.0858      42.0   
1 1 1 2  35 30 o 4.854000       0.6967000     216.9745      -55.8  
1 1 1 2  35 31 o 13.91000       0.9365000     486.2503      -110.4 
1 1 1 2  35 32 o 3.763000       0.7591000     261.6128      -12.7  
1 1 1 2  35 33 o -1.927000      1.078000      195.2885      84.3   
1 1 1 2  35 34 o 0.3159000      0.8767000     55.53428      -130.4 
1 1 1 2  35 35 o -0.2104000     0.9358000     156.7165      -101.3 
1 1 1 2  35 36 o 2.017000       0.9892000     203.7082      34.7   
1 1 1 2  35 37 o 14.43000       1.722000      280.3468      -147.9 
1 1 1 2  35 38 o 6.418000       1.546000      321.5470      -72.3  
1 1 1 2  35 39 o 2.912000       1.169000      157.6192      -166.2 
1 1 1 2  35 40 o 2.038000       1.315000      190.7299      40.1   
1 1 1 2  35 41 o 7.155000       1.640000      317.3528      -123.9 
1 1 1 2  35 42 o 1.921000       1.233000      150.8519      -25.1  
1 1 1 2  35 43 o 12.33000       1.460000      382.9344      55.4   
1 1 1 2  35 44 o 14.66000       1.265000      488.4149      -2.5   
1 1 1 2  35 45 o 12.78000       1.247000      487.0332      -23.7  
1 1 1 2  35 46 o 15.63000       1.302000      626.8965      126.8  
1 1 1 2  35 47 o 3.262000       1.259000      249.5268      22.3   
1 1 1 2  35 48 o 7.885000       1.385000      ?             ?      
1 1 1 2  35 49 o 14.91000       1.557000      ?             ?      
1 1 1 2  35 50 o 2.373000       1.422000      ?             ?      
1 1 1 2  35 51 o 3.205000       1.317000      ?             ?      
1 1 1 2  35 52 o -0.2381000     1.276000      ?             ?      
1 1 1 2  35 53 o -2.463000      2.210000      ?             ?      
1 1 1 2  35 54 o 18.44000       2.031000      ?             ?      
1 1 1 2  35 55 o 3.079000       1.351000      ?             ?      
1 1 1 2  35 56 o 0.3829000      1.178000      ?             ?      
1 1 1 2  35 57 o 0.7177000      1.176000      ?             ?      
1 1 1 2  35 58 o 8.984000       1.276000      ?             ?      
1 1 1 2  35 59 o 3.725000       1.247000      ?             ?      
1 1 1 2  35 60 o 0.4135000      1.224000      ?             ?      
1 1 1 2  35 61 o 6.022000       1.283000      ?             ?      
1 1 1 2  35 62 o 2.835000       1.291000      ?             ?      
1 1 1 2  35 63 o 1.321000       1.427000      ?             ?      
1 1 1 2  35 64 o 2.388000       1.441000      ?             ?      
1 1 1 2  35 65 o 1.617000       1.311000      ?             ?      
1 1 1 2  35 66 o 3.586000       1.931000      ?             ?      
1 1 1 2  36 0  o 34.57000       3.131000      1086.803      -0.0   
1 1 1 2  36 1  o 6.240000       1.306000      395.9067      32.6   
1 1 1 2  36 2  o 48.36000       1.396000      1141.677      45.8   
1 1 1 2  36 3  o 2.835000       0.7873000     123.7319      9.1    
1 1 1 2  36 4  o 5.727000       0.7298000     325.5130      65.4   
1 1 1 2  36 5  o 4.308000       0.7230000     281.2709      -45.7  
1 1 1 2  36 6  o 16.22000       0.7897000     533.5524      90.1   
1 1 1 2  36 7  o 1.080000       0.6200000     87.86349      -25.5  
1 1 1 2  36 8  o 2.190000       0.5931000     225.8613      158.4  
1 1 1 2  36 9  o 10.30000       0.5937000     553.7958      -152.5 
1 1 1 2  36 10 o 28.54000       0.8623000     781.0839      -56.2  
1 1 1 2  36 11 o 8.400000       0.9962000     582.4565      -66.6  
1 1 1 2  36 12 o 5.660000       1.219000      409.1947      -121.4 
1 1 1 2  36 13 o 5.347000       1.243000      326.9545      -82.9  
1 1 1 2  36 14 o 0.6077000      1.226000      121.1563      -69.1  
1 1 1 2  36 15 o 22.20000       1.493000      675.4335      -160.2 
1 1 1 2  36 16 o -2.636000      1.279000      118.3575      -89.2  
1 1 1 2  36 17 o 12.11000       1.967000      487.1834      70.1   
1 1 1 2  36 18 o -0.8080000     2.667000      146.4883      86.8   
1 1 1 2  36 19 o -0.4721000     1.341000      258.8177      124.3  
1 1 1 2  36 20 o 7.988000       1.389000      386.3812      49.0   
1 1 1 2  36 21 o 7.063000       1.375000      294.9064      0.9    
1 1 1 2  36 22 o 0.8173000      1.353000      83.59227      -127.4 
1 1 1 2  36 23 o 18.92000       1.551000      525.7853      -107.9 
1 1 1 2  36 24 o 9.087000       1.415000      389.6852      142.0  
1 1 1 2  36 25 o 6.573000       1.400000      400.2974      -75.2  
1 1 1 2  36 26 o 16.38000       1.536000      693.0085      -50.0  
1 1 1 2  36 27 o 3.870000       1.052000      391.7043      70.8   
1 1 1 2  36 28 o 2.149000       0.8105000     352.0802      -123.2 
1 1 1 2  36 29 o 3.468000       0.6776000     328.6642      -18.9  
1 1 1 2  36 30 o 16.79000       0.8537000     650.4792      -1.9   
1 1 1 2  36 31 o 4.044000       0.6945000     337.5782      142.2  
1 1 1 2  36 32 o 3.111000       0.7290000     120.8546      80.1   
1 1 1 2  36 33 o 3.208000       0.8328000     119.3857      118.0  
1 1 1 2  36 34 o 2.195000       0.9773000     205.9619      107.3  
1 1 1 2  36 35 o 38.15000       1.774000      849.7394      -90.7  
1 1 1 2  36 36 o 1.820000       0.9399000     189.1459      130.7  
1 1 1 2  36 37 o 8.167000       1.122000      349.1317      20.6   
1 1 1 2  36 38 o 9.642000       1.788000      310.4785      -57.5  
1 1 1 2  36 39 o 1.731000       1.565000      152.4928      80.2   
1 1 1 2  36 40 o 22.15000       1.847000      650.6071      169.5  
1 1 1 2  36 41 o 0.5560000      1.199000      75.52659      -3.9   
1 1 1 2  36 42 o 14.87000       1.371000      582.0138      93.7   
1 1 1 2  36 43 o -0.4800000     1.129000      65.80519      55.5   
1 1 1 2  36 44 o 5.981000       1.172000      309.1733      -145.4 
1 1 1 2  36 45 o 3.973000       1.169000      325.9100      -103.4 
1 1 1 2  36 46 o -0.9126000     1.169000      99.02933      -115.2 
1 1 1 2  36 47 o 5.310000       1.191000      ?             ?      
1 1 1 2  36 48 o 9.436000       1.336000      ?             ?      
1 1 1 2  36 49 o 3.436000       1.449000      ?             ?      
1 1 1 2  36 50 o 3.333000       1.286000      ?             ?      
1 1 1 2  36 51 o 5.576000       1.304000      ?             ?      
1 1 1 2  36 52 o 0.6156000      1.221000      ?             ?      
1 1 1 2  36 53 o 5.335000       1.450000      ?             ?      
1 1 1 2  36 54 o 0.8402000      2.317000      ?             ?      
1 1 1 2  36 55 o -0.9960000     2.248000      ?             ?      
1 1 1 2  36 56 o -0.8981000     1.357000      ?             ?      
1 1 1 2  36 57 o 7.756000       1.237000      ?             ?      
1 1 1 2  36 58 o 6.147000       1.230000      ?             ?      
1 1 1 2  36 59 o 1.375000       1.211000      ?             ?      
1 1 1 2  36 60 o 1.136000       1.217000      ?             ?      
1 1 1 2  36 61 o 3.811000       1.267000      ?             ?      
1 1 1 2  36 62 o 0.7995000      1.371000      ?             ?      
1 1 1 2  36 63 o -1.759000      1.418000      ?             ?      
1 1 1 2  36 64 o 2.331000       1.302000      ?             ?      
1 1 1 2  36 65 o 2.765000       1.321000      ?             ?      
1 1 1 2  37 0  o -2.656000      2.237000      76.24052      180.0  
1 1 1 2  37 1  o 31.50000       1.398000      728.7247      45.8   
1 1 1 2  37 2  o 3.286000       0.7628000     200.3395      68.5   
1 1 1 2  37 3  o 12.71000       0.8107000     212.6782      -79.3  
1 1 1 2  37 4  o 30.16000       0.9935000     895.9255      -37.0  
1 1 1 2  37 5  o 4.311000       0.7070000     255.7914      -110.3 
1 1 1 2  37 6  o 4.074000       0.6824000     198.1728      -33.5  
1 1 1 2  37 7  o 78.46000       1.771000      1389.922      -90.4  
1 1 1 2  37 8  o 7.977000       0.6381000     509.1932      -22.6  
1 1 1 2  37 9  o 4.976000       0.5636000     288.4144      -44.7  
1 1 1 2  37 10 o 15.87000       0.6461000     500.5021      11.4   
1 1 1 2  37 11 o 29.22000       1.346000      765.1812      27.9   
1 1 1 2  37 12 o 13.64000       1.018000      461.3045      -23.7  
1 1 1 2  37 13 o 17.53000       1.393000      558.1746      2.0    
1 1 1 2  37 14 o 61.97000       2.304000      1072.700      -42.3  
1 1 1 2  37 15 o 3.019000       1.263000      240.6575      -153.5 
1 1 1 2  37 16 o 37.29000       3.473000      865.0780      53.6   
1 1 1 2  37 18 o 9.295000       2.022000      427.1596      -165.1 
1 1 1 2  37 19 o 30.84000       1.726000      742.2334      81.3   
1 1 1 2  37 20 o 23.76000       1.619000      542.4200      -119.8 
1 1 1 2  37 21 o 9.369000       1.425000      565.4095      -179.2 
1 1 1 2  37 22 o 29.65000       1.749000      933.2548      -18.5  
1 1 1 2  37 23 o -2.770000      1.345000      110.0685      -22.9  
1 1 1 2  37 24 o 14.01000       1.482000      475.4273      24.6   
1 1 1 2  37 25 o 19.70000       1.610000      692.3107      61.1   
1 1 1 2  37 26 o 8.655000       1.457000      244.7327      -30.0  
1 1 1 2  37 27 o 12.94000       1.528000      623.7380      -117.4 
1 1 1 2  37 28 o 15.19000       1.609000      583.8162      67.2   
1 1 1 2  37 29 o 28.91000       1.263000      810.1224      -24.0  
1 1 1 2  37 30 o 22.77000       1.022000      871.3360      -121.5 
1 1 1 2  37 31 o 40.15000       1.285000      784.1430      87.5   
1 1 1 2  37 32 o 0.4902000      0.6806000     75.60522      -55.7  
1 1 1 2  37 33 o 0.6502000      0.8143000     176.9002      171.0  
1 1 1 2  37 34 o 7.680000       0.9394000     404.9840      -3.1   
1 1 1 2  37 35 o 9.422000       1.139000      375.1147      141.5  
1 1 1 2  37 36 o 1.773000       1.240000      120.4807      3.5    
1 1 1 2  37 37 o 49.42000       1.858000      910.6669      161.2  
1 1 1 2  37 38 o 4.585000       1.223000      189.6274      139.6  
1 1 1 2  37 39 o 4.222000       1.572000      294.3680      19.0   
1 1 1 2  37 40 o 6.166000       1.405000      358.4236      150.0  
1 1 1 2  37 41 o 3.767000       1.118000      282.6482      123.6  
1 1 1 2  37 42 o 14.58000       1.214000      430.7140      34.7   
1 1 1 2  37 43 o 2.249000       1.132000      245.7327      18.3   
1 1 1 2  37 44 o -0.1709000     1.123000      147.2410      73.8   
1 1 1 2  37 45 o 12.10000       1.197000      355.5440      74.5   
1 1 1 2  37 46 o 4.181000       1.144000      ?             ?      
1 1 1 2  37 47 o 6.022000       1.156000      ?             ?      
1 1 1 2  37 48 o 6.618000       1.288000      ?             ?      
1 1 1 2  37 49 o 3.079000       1.263000      ?             ?      
1 1 1 2  37 50 o 8.204000       1.215000      ?             ?      
1 1 1 2  37 51 o 9.704000       1.197000      ?             ?      
1 1 1 2  37 52 o 5.727000       1.147000      ?             ?      
1 1 1 2  37 53 o 2.719000       1.209000      ?             ?      
1 1 1 2  37 54 o 5.030000       1.473000      ?             ?      
1 1 1 2  37 55 o 0.8954000      2.380000      ?             ?      
1 1 1 2  37 56 o -1.152000      1.826000      ?             ?      
1 1 1 2  37 57 o 2.665000       1.249000      ?             ?      
1 1 1 2  37 58 o 0.7358000      1.305000      ?             ?      
1 1 1 2  37 59 o 3.028000       1.334000      ?             ?      
1 1 1 2  37 60 o 2.020000       1.310000      ?             ?      
1 1 1 2  37 61 o 1.523000       1.358000      ?             ?      
1 1 1 2  37 62 o 1.070000       1.398000      ?             ?      
1 1 1 2  37 63 o 2.317000       1.419000      ?             ?      
1 1 1 2  37 64 o -0.9019000     1.274000      ?             ?      
1 1 1 2  38 0  o 6.748000       2.145000      551.2203      180.0  
1 1 1 2  38 1  o 21.41000       1.079000      810.8563      41.8   
1 1 1 2  38 2  o 10.02000       0.7935000     600.0084      36.3   
1 1 1 2  38 3  o 8.172000       0.7742000     295.5164      175.0  
1 1 1 2  38 4  o 9.493000       0.7601000     530.1343      -162.7 
1 1 1 2  38 5  o 35.98000       1.082000      699.7217      -143.1 
1 1 1 2  38 6  o 13.43000       0.7674000     599.1468      125.4  
1 1 1 2  38 7  o 64.35000       1.528000      1351.547      -35.0  
1 1 1 2  38 8  o 22.43000       0.8096000     628.9641      73.2   
1 1 1 2  38 9  o 14.19000       0.6734000     582.7223      177.6  
1 1 1 2  38 10 o 75.33000       1.629000      1169.782      121.3  
1 1 1 2  38 11 o 33.43000       1.427000      925.8169      124.9  
1 1 1 2  38 12 o 17.26000       1.076000      385.0460      149.8  
1 1 1 2  38 13 o 1.195000       1.197000      226.1625      -24.3  
1 1 1 2  38 14 o 8.527000       1.274000      402.4088      -173.4 
1 1 1 2  38 15 o 2.020000       1.260000      186.3524      102.2  
1 1 1 2  38 16 o 5.335000       1.876000      235.0180      62.6   
1 1 1 2  38 17 o 7.714000       2.808000      350.2182      101.1  
1 1 1 2  38 18 o 4.318000       1.365000      306.4272      39.3   
1 1 1 2  38 19 o 19.98000       1.550000      567.2422      149.5  
1 1 1 2  38 20 o 8.031000       1.391000      396.7918      -77.7  
1 1 1 2  38 21 o 21.76000       1.600000      514.5474      93.9   
1 1 1 2  38 22 o 16.94000       1.530000      491.2824      -168.5 
1 1 1 2  38 23 o 29.30000       1.737000      695.7168      89.4   
1 1 1 2  38 24 o 1.314000       1.380000      151.2803      100.8  
1 1 1 2  38 25 o 17.23000       1.577000      643.2566      5.0    
1 1 1 2  38 26 o 5.560000       1.463000      346.2240      95.8   
1 1 1 2  38 27 o 23.45000       1.745000      787.8484      133.1  
1 1 1 2  38 28 o 6.635000       1.567000      407.4444      0.4    
1 1 1 2  38 29 o 12.23000       1.624000      511.1287      50.2   
1 1 1 2  38 30 o 6.118000       0.7366000     268.8233      78.7   
1 1 1 2  38 31 o -0.4293000     0.8895000     134.1095      161.3  
1 1 1 2  38 32 o 11.18000       0.8573000     631.6919      145.2  
1 1 1 2  38 33 o -0.9097000     1.208000      137.1712      -66.7  
1 1 1 2  38 34 o 22.16000       1.911000      662.1072      -35.9  
1 1 1 2  38 35 o 1.167000       1.014000      117.8367      -176.8 
1 1 1 2  38 36 o 23.66000       1.366000      603.6411      -174.2 
1 1 1 2  38 37 o -1.337000      0.9461000     61.65714      9.2    
1 1 1 2  38 38 o 17.68000       1.099000      669.0355      -129.9 
1 1 1 2  38 39 o 1.133000       1.214000      159.2873      30.0   
1 1 1 2  38 40 o 12.20000       1.738000      515.0996      130.7  
1 1 1 2  38 41 o 13.58000       1.599000      651.6603      132.7  
1 1 1 2  38 42 o 0.2070000      1.091000      200.0353      37.4   
1 1 1 2  38 43 o 0.3904000      1.097000      264.1758      -74.8  
1 1 1 2  38 44 o 5.209000       1.125000      244.3239      113.4  
1 1 1 2  38 45 o -0.7239000     1.086000      ?             ?      
1 1 1 2  38 46 o 7.871000       1.129000      ?             ?      
1 1 1 2  38 47 o 1.235000       1.189000      ?             ?      
1 1 1 2  38 48 o 17.76000       1.500000      ?             ?      
1 1 1 2  38 49 o 18.21000       1.383000      ?             ?      
1 1 1 2  38 50 o 4.854000       1.140000      ?             ?      
1 1 1 2  38 51 o 0.6591000      1.102000      ?             ?      
1 1 1 2  38 52 o -0.4155000E-02 1.107000      ?             ?      
1 1 1 2  38 53 o 2.892000       1.124000      ?             ?      
1 1 1 2  38 54 o 5.071000       1.135000      ?             ?      
1 1 1 2  38 55 o 2.265000       1.708000      ?             ?      
1 1 1 2  38 56 o 1.131000       2.272000      ?             ?      
1 1 1 2  38 57 o 1.978000       1.481000      ?             ?      
1 1 1 2  38 58 o -0.4316000     1.287000      ?             ?      
1 1 1 2  38 59 o 1.547000       1.268000      ?             ?      
1 1 1 2  38 60 o 0.2806000      1.279000      ?             ?      
1 1 1 2  38 61 o -0.2292000     1.354000      ?             ?      
1 1 1 2  38 62 o 0.8239000      1.560000      ?             ?      
1 1 1 2  38 63 o 0.2996000      1.335000      ?             ?      
1 1 1 2  39 0  o -2.550000      2.028000      83.41202      0.0    
1 1 1 2  39 1  o 2.687000       0.9898000     324.5315      30.5   
1 1 1 2  39 2  o 3.927000       0.8213000     297.0411      -102.7 
1 1 1 2  39 3  o 20.47000       0.8780000     731.9847      -80.1  
1 1 1 2  39 4  o 11.59000       0.7776000     483.8481      -12.3  
1 1 1 2  39 5  o 46.99000       1.268000      1034.376      -163.5 
1 1 1 2  39 6  o 11.67000       0.7396000     395.0424      -11.4  
1 1 1 2  39 7  o 1.115000       0.6331000     247.1797      165.5  
1 1 1 2  39 8  o 2.396000       0.5996000     215.2277      146.8  
1 1 1 2  39 9  o 34.70000       0.9816000     897.0082      -136.5 
1 1 1 2  39 10 o 9.978000       0.7158000     583.9388      -51.0  
1 1 1 2  39 11 o 34.31000       1.439000      897.8021      -161.0 
1 1 1 2  39 12 o 5.059000       1.220000      412.7109      -33.8  
1 1 1 2  39 13 o 0.4057000      1.211000      67.67690      45.8   
1 1 1 2  39 14 o 7.650000       1.282000      226.8106      -174.4 
1 1 1 2  39 15 o -0.4489000     1.559000      65.44880      -138.1 
1 1 1 2  39 17 o 11.30000       2.069000      423.7436      -144.5 
1 1 1 2  39 18 o -0.3978000     1.317000      225.3888      -136.6 
1 1 1 2  39 19 o 0.3848000      1.336000      292.3293      117.3  
1 1 1 2  39 20 o 27.63000       1.699000      837.1819      -133.5 
1 1 1 2  39 21 o 8.759000       1.412000      448.9970      124.7  
1 1 1 2  39 22 o 1.474000       1.352000      60.83226      -39.4  
1 1 1 2  39 23 o 0.7470000      1.352000      176.7983      79.7   
1 1 1 2  39 24 o 4.352000       1.388000      424.4541      116.7  
1 1 1 2  39 25 o 15.66000       1.576000      518.9402      -126.5 
1 1 1 2  39 26 o 2.816000       1.502000      192.4728      110.4  
1 1 1 2  39 27 o 18.03000       1.700000      505.3278      100.1  
1 1 1 2  39 28 o 4.563000       1.572000      283.3094      -75.6  
1 1 1 2  39 29 o 6.490000       1.611000      530.1586      -23.6  
1 1 1 2  39 30 o -0.1863000     1.560000      55.02873      -133.8 
1 1 1 2  39 31 o 3.933000       1.307000      367.4746      89.9   
1 1 1 2  39 32 o 4.260000       2.009000      290.9022      168.0  
1 1 1 2  39 33 o 9.451000       1.052000      502.2782      -78.5  
1 1 1 2  39 34 o 13.79000       0.9511000     650.7096      -41.3  
1 1 1 2  39 35 o 13.19000       1.049000      695.4855      -143.3 
1 1 1 2  39 36 o 7.691000       0.9227000     412.1726      -158.8 
1 1 1 2  39 37 o 6.808000       0.9463000     375.5480      9.1    
1 1 1 2  39 38 o 12.39000       1.064000      503.3798      135.0  
1 1 1 2  39 39 o 0.6544000      0.9788000     177.4740      173.5  
1 1 1 2  39 40 o 4.322000       1.249000      402.2330      110.8  
1 1 1 2  39 41 o 1.623000       1.618000      197.2664      133.0  
1 1 1 2  39 42 o 6.530000       1.265000      348.9116      3.5    
1 1 1 2  39 43 o 14.35000       1.153000      574.0869      147.8  
1 1 1 2  39 44 o 3.198000       1.083000      ?             ?      
1 1 1 2  39 45 o 1.988000       1.072000      ?             ?      
1 1 1 2  39 46 o 4.270000       1.086000      ?             ?      
1 1 1 2  39 47 o 2.676000       1.159000      ?             ?      
1 1 1 2  39 48 o -0.5055000     1.150000      ?             ?      
1 1 1 2  39 49 o 0.6009000      1.069000      ?             ?      
1 1 1 2  39 50 o -0.1299000E-01 1.064000      ?             ?      
1 1 1 2  39 51 o 3.798000       1.089000      ?             ?      
1 1 1 2  39 52 o 2.054000       1.088000      ?             ?      
1 1 1 2  39 53 o 0.5090000      1.086000      ?             ?      
1 1 1 2  39 54 o 3.107000       1.114000      ?             ?      
1 1 1 2  39 55 o 2.735000       1.136000      ?             ?      
1 1 1 2  39 56 o -0.3008000     1.706000      ?             ?      
1 1 1 2  39 57 o 0.1144000      1.686000      ?             ?      
1 1 1 2  39 58 o 1.756000       1.277000      ?             ?      
1 1 1 2  39 59 o -1.357000      1.171000      ?             ?      
1 1 1 2  39 60 o 0.9062000      1.411000      ?             ?      
1 1 1 2  39 61 o 2.168000       1.528000      ?             ?      
1 1 1 2  39 62 o -1.301000      1.353000      ?             ?      
1 1 1 2  39 63 o 1.821000       3.041000      ?             ?      
1 1 1 2  40 0  o 9.949000       1.298000      595.6002      -180.0 
1 1 1 2  40 1  o 23.44000       1.218000      576.8225      52.8   
1 1 1 2  40 2  o 22.08000       1.085000      589.5829      -165.5 
1 1 1 2  40 3  f 25.28000       0.9538000     685.8491      -57.7  
1 1 1 2  40 4  o 23.56000       0.9156000     677.2607      -143.7 
1 1 1 2  40 5  o 7.666000       0.7467000     421.1762      122.0  
1 1 1 2  40 6  o 2.442000       0.6771000     255.3678      -175.6 
1 1 1 2  40 7  o 7.365000       0.6720000     518.0475      -28.5  
1 1 1 2  40 8  o 12.93000       0.6829000     584.9272      -166.6 
1 1 1 2  40 9  o 16.04000       0.6949000     506.7151      -112.7 
1 1 1 2  40 10 o 12.15000       0.6126000     390.9854      177.2  
1 1 1 2  40 11 o 26.79000       1.321000      640.2364      17.1   
1 1 1 2  40 12 o 47.60000       1.976000      1013.051      -150.3 
1 1 1 2  40 13 o 21.25000       1.463000      542.6451      -128.5 
1 1 1 2  40 14 o 7.672000       1.332000      446.0439      -19.5  
1 1 1 2  40 15 o -0.1025000     1.828000      21.92354      110.2  
1 1 1 2  40 16 o 10.41000       2.990000      561.9172      -76.5  
1 1 1 2  40 17 o 14.15000       1.511000      488.6627      142.1  
1 1 1 2  40 18 o 0.8222000      1.331000      80.31952      164.2  
1 1 1 2  40 19 o 1.318000       1.354000      244.0076      120.4  
1 1 1 2  40 20 o 26.23000       1.689000      763.2898      -119.4 
1 1 1 2  40 21 o 1.842000       1.382000      204.0514      -0.6   
1 1 1 2  40 22 o 8.162000       1.455000      410.6946      151.7  
1 1 1 2  40 23 o 0.2524000      1.391000      192.6387      -120.4 
1 1 1 2  40 24 o 4.912000       1.455000      321.4886      -28.2  
1 1 1 2  40 25 f 19.15000       1.664000      684.8012      135.8  
1 1 1 2  40 26 o 7.875000       1.564000      507.0558      61.1   
1 1 1 2  40 27 o 3.147000       1.552000      370.3895      167.0  
1 1 1 2  40 28 o 4.178000       1.603000      283.2059      128.5  
1 1 1 2  40 29 o 28.96000       1.994000      731.6456      94.6   
1 1 1 2  40 30 o 8.732000       1.726000      418.7233      95.5   
1 1 1 2  40 31 o 2.048000       1.755000      213.4005      -168.5 
1 1 1 2  40 32 o 2.107000       1.516000      413.5452      64.8   
1 1 1 2  40 33 o 6.994000       1.004000      491.6677      -43.7  
1 1 1 2  40 34 o 19.05000       1.066000      789.1254      2.1    
1 1 1 2  40 35 o 3.330000       0.7004000     282.9610      179.8  
1 1 1 2  40 36 o 17.26000       1.188000      590.5021      -47.2  
1 1 1 2  40 37 o 25.81000       1.392000      754.4888      -141.6 
1 1 1 2  40 38 o -0.9920000     0.8876000     145.5930      -167.7 
1 1 1 2  40 39 o 1.158000       0.9269000     163.9934      -147.9 
1 1 1 2  40 40 o 2.221000       0.9664000     125.4102      122.9  
1 1 1 2  40 41 o 4.528000       1.259000      313.5864      36.0   
1 1 1 2  40 42 o 13.02000       1.863000      ?             ?      
1 1 1 2  40 43 o 11.82000       1.282000      ?             ?      
1 1 1 2  40 44 o 12.03000       1.109000      ?             ?      
1 1 1 2  40 45 o 2.098000       1.026000      ?             ?      
1 1 1 2  40 46 o 0.1283000      1.093000      ?             ?      
1 1 1 2  40 47 o 0.9984000      1.206000      ?             ?      
1 1 1 2  40 48 o 2.503000       1.125000      ?             ?      
1 1 1 2  40 49 o 7.886000       1.078000      ?             ?      
1 1 1 2  40 50 o 6.563000       1.079000      ?             ?      
1 1 1 2  40 51 o 4.330000       1.078000      ?             ?      
1 1 1 2  40 52 o 0.4039000E-01  1.060000      ?             ?      
1 1 1 2  40 53 o 8.672000       1.130000      ?             ?      
1 1 1 2  40 54 o -0.6360000     1.087000      ?             ?      
1 1 1 2  40 55 o 7.022000       1.137000      ?             ?      
1 1 1 2  40 56 o 0.6329000      1.260000      ?             ?      
1 1 1 2  40 57 o 2.099000       1.733000      ?             ?      
1 1 1 2  40 58 o 1.603000       1.719000      ?             ?      
1 1 1 2  40 59 o 4.034000       1.318000      ?             ?      
1 1 1 2  40 60 o 1.819000       1.274000      ?             ?      
1 1 1 2  40 61 o 2.460000       1.320000      ?             ?      
1 1 1 2  40 62 o -0.5166000     1.210000      ?             ?      
1 1 1 2  41 0  o 1.110000       1.184000      172.9718      -180.0 
1 1 1 2  41 1  o 24.57000       1.223000      597.1666      -32.7  
1 1 1 2  41 2  o 1.997000       0.9007000     303.7310      11.5   
1 1 1 2  41 3  o 22.02000       0.9273000     617.3792      -139.4 
1 1 1 2  41 4  o -0.8265000     0.7202000     86.74466      97.0   
1 1 1 2  41 5  o 22.79000       0.8944000     603.4756      -169.2 
1 1 1 2  41 6  o 15.00000       0.7745000     602.1330      52.8   
1 1 1 2  41 7  o 8.274000       0.6848000     335.8384      74.6   
1 1 1 2  41 8  o 6.561000       0.6362000     488.1116      8.6    
1 1 1 2  41 9  o 4.176000       0.5845000     319.9048      -147.7 
1 1 1 2  41 10 o -0.7080000     0.5070000     22.47405      -11.6  
1 1 1 2  41 11 o 6.507000       0.6841000     178.3892      -20.0  
1 1 1 2  41 12 o 6.551000       1.288000      347.5574      8.6    
1 1 1 2  41 13 o 8.078000       1.329000      470.5331      4.1    
1 1 1 2  41 14 o 0.1022000      1.610000      297.9115      62.3   
1 1 1 2  41 16 o 9.913000       2.148000      544.5752      -21.8  
1 1 1 2  41 17 o 9.058000       1.443000      496.0006      153.7  
1 1 1 2  41 18 o 7.328000       1.412000      334.8200      -148.0 
1 1 1 2  41 19 o 20.80000       1.619000      772.4205      3.3    
1 1 1 2  41 20 o 11.77000       1.493000      546.2830      -137.8 
1 1 1 2  41 21 o 0.5332000      1.405000      233.1856      -102.4 
1 1 1 2  41 22 o 2.468000       1.433000      223.8236      35.8   
1 1 1 2  41 23 o 10.26000       1.530000      511.8290      125.4  
1 1 1 2  41 24 f 24.14000       1.741000      723.6890      -116.0 
1 1 1 2  41 25 o 4.031000       1.519000      503.9611      122.9  
1 1 1 2  41 26 o -1.493000      1.537000      85.11100      -79.0  
1 1 1 2  41 27 o 49.45000       2.379000      999.0298      -150.5 
1 1 1 2  41 28 o 2.736000       1.646000      214.7249      -52.4  
1 1 1 2  41 29 o 15.84000       1.825000      516.3381      -9.2   
1 1 1 2  41 30 o 21.99000       2.406000      656.2808      -149.1 
1 1 1 2  41 31 o 2.408000       3.732000      244.4124      -59.2  
1 1 1 2  41 32 o 26.88000       3.169000      656.0416      -45.3  
1 1 1 2  41 33 o 15.36000       2.085000      498.7029      153.0  
1 1 1 2  41 34 o 0.9902000      0.7503000     254.4708      6.7    
1 1 1 2  41 35 o 4.342000       0.8211000     212.1675      123.1  
1 1 1 2  41 36 o 11.83000       1.036000      505.5302      19.7   
1 1 1 2  41 37 o 2.318000       0.7449000     246.6909      -96.5  
1 1 1 2  41 38 o -0.9587000E-01 0.7955000     76.06764      -98.5  
1 1 1 2  41 39 o 2.139000       0.8669000     346.8770      -86.6  
1 1 1 2  41 40 o 1.354000       0.9058000     48.38904      0.2    
1 1 1 2  41 41 o -1.286000      0.9141000     ?             ?      
1 1 1 2  41 42 o -0.2961000     1.162000      ?             ?      
1 1 1 2  41 43 o 17.84000       2.290000      ?             ?      
1 1 1 2  41 44 o 8.428000       1.215000      ?             ?      
1 1 1 2  41 45 o 5.869000       1.063000      ?             ?      
1 1 1 2  41 46 o 14.65000       1.195000      ?             ?      
1 1 1 2  41 47 f 5.890000       1.126000      ?             ?      
1 1 1 2  41 48 o 1.048000       1.007000      ?             ?      
1 1 1 2  41 49 o 2.937000       1.020000      ?             ?      
1 1 1 2  41 50 o 2.510000       1.037000      ?             ?      
1 1 1 2  41 51 o 4.648000       1.079000      ?             ?      
1 1 1 2  41 52 o 0.6050000      1.046000      ?             ?      
1 1 1 2  41 53 o 3.544000       1.084000      ?             ?      
1 1 1 2  41 54 o 3.323000       1.093000      ?             ?      
1 1 1 2  41 55 o 2.277000       1.108000      ?             ?      
1 1 1 2  41 56 o 0.1797000      1.094000      ?             ?      
1 1 1 2  41 57 o 2.496000       1.267000      ?             ?      
1 1 1 2  41 58 o 4.223000       1.980000      ?             ?      
1 1 1 2  41 59 o -2.728000      2.302000      ?             ?      
1 1 1 2  41 60 o 0.5865000      1.390000      ?             ?      
1 1 1 2  41 61 o -0.9954000     1.290000      ?             ?      
1 1 1 2  42 0  o 29.10000       1.645000      867.7260      180.0  
1 1 1 2  42 1  o 2.075000       0.9665000     242.3607      97.1   
1 1 1 2  42 2  o 14.28000       1.104000      599.1794      -12.5  
1 1 1 2  42 3  o 14.72000       0.9283000     555.6094      110.4  
1 1 1 2  42 4  o 10.52000       0.7864000     556.4930      -74.3  
1 1 1 2  42 5  o 16.11000       0.8201000     735.6736      124.7  
1 1 1 2  42 6  o 18.65000       0.8324000     619.0557      -35.4  
1 1 1 2  42 7  o 1.922000       0.6575000     311.4691      79.0   
1 1 1 2  42 8  o 7.799000       0.6705000     200.7992      -56.6  
1 1 1 2  42 9  o 18.57000       0.7761000     476.3535      49.1   
1 1 1 2  42 10 o 16.71000       0.7779000     682.6008      73.8   
1 1 1 2  42 11 o 62.88000       1.643000      1130.600      129.9  
1 1 1 2  42 12 o 8.938000       1.085000      323.7055      -136.5 
1 1 1 2  42 13 o 21.74000       1.567000      676.1945      -94.7  
1 1 1 2  42 14 o 4.526000       1.998000      383.3459      -33.9  
1 1 1 2  42 15 o 2.683000       2.966000      148.6053      -94.2  
1 1 1 2  42 16 o 25.69000       2.138000      711.4700      25.8   
1 1 1 2  42 17 o 8.116000       1.462000      417.8912      -138.2 
1 1 1 2  42 18 o 30.54000       1.816000      764.6187      126.4  
1 1 1 2  42 19 o 4.298000       1.450000      271.9245      -40.7  
1 1 1 2  42 20 o -0.3645000     1.445000      176.8191      -49.6  
1 1 1 2  42 21 o 10.02000       1.531000      462.4398      -18.3  
1 1 1 2  42 22 o 5.022000       1.481000      355.0022      -159.7 
1 1 1 2  42 23 o 7.356000       1.523000      305.1109      -113.2 
1 1 1 2  42 24 o 3.405000       1.509000      231.9877      -71.5  
1 1 1 2  42 25 o 2.618000       1.551000      340.4221      8.2    
1 1 1 2  42 26 o 15.53000       1.744000      554.3768      -40.1  
1 1 1 2  42 27 o 17.31000       1.852000      839.6780      -163.1 
1 1 1 2  42 28 o 4.520000       1.726000      323.3023      25.3   
1 1 1 2  42 29 o 11.19000       1.818000      543.4949      69.6   
1 1 1 2  42 30 o 9.732000       2.607000      451.0757      22.3   
1 1 1 2  42 31 o 1.794000       4.135000      558.3379      -136.2 
1 1 1 2  42 32 o 4.204000       2.389000      163.2952      111.0  
1 1 1 2  42 33 o 5.534000       2.004000      312.3827      13.0   
1 1 1 2  42 34 o 12.32000       2.109000      390.8821      159.7  
1 1 1 2  42 35 o 2.309000       0.7336000     226.6775      -25.4  
1 1 1 2  42 36 o 8.935000       1.694000      460.9390      -48.3  
1 1 1 2  42 37 o 9.792000       0.9847000     605.3743      168.5  
1 1 1 2  42 38 o 11.47000       1.076000      521.1514      -6.7   
1 1 1 2  42 39 o 1.509000       0.7843000     305.9282      -149.3 
1 1 1 2  42 40 o 10.83000       1.045000      ?             ?      
1 1 1 2  42 41 o 5.595000       0.8942000     ?             ?      
1 1 1 2  42 42 o 6.455000       0.9265000     ?             ?      
1 1 1 2  42 43 o -0.2480000     1.133000      ?             ?      
1 1 1 2  42 44 o 0.2275000      1.677000      ?             ?      
1 1 1 2  42 45 o 3.128000       1.224000      ?             ?      
1 1 1 2  42 46 o 1.481000       1.091000      ?             ?      
1 1 1 2  42 47 o 2.514000       1.048000      ?             ?      
1 1 1 2  42 48 f 3.115000       0.9981000     ?             ?      
1 1 1 2  42 49 o 0.9890000      0.9966000     ?             ?      
1 1 1 2  42 50 o 8.769000       1.067000      ?             ?      
1 1 1 2  42 51 o 1.100000       1.014000      ?             ?      
1 1 1 2  42 52 o -0.4786000     1.024000      ?             ?      
1 1 1 2  42 53 o 4.879000       1.072000      ?             ?      
1 1 1 2  42 54 o 1.455000       1.069000      ?             ?      
1 1 1 2  42 55 o -0.6173000E-01 1.075000      ?             ?      
1 1 1 2  42 56 o 1.025000       1.097000      ?             ?      
1 1 1 2  42 57 o 1.178000       1.122000      ?             ?      
1 1 1 2  42 58 o -1.744000      1.267000      ?             ?      
1 1 1 2  42 59 o 0.4535000      2.905000      ?             ?      
1 1 1 2  42 60 o 0.3237000E-01  2.183000      ?             ?      
1 1 1 2  43 0  o 3.665000       1.074000      288.3808      -180.0 
1 1 1 2  43 1  o 0.7764000      0.8003000     169.8854      -98.5  
1 1 1 2  43 2  o 1.439000       1.006000      186.2547      122.0  
1 1 1 2  43 3  o 2.623000       0.9120000     68.56027      -12.0  
1 1 1 2  43 4  f 0.2125000      0.7432000     178.4715      -10.5  
1 1 1 2  43 5  o -0.5726000     0.7272000     127.0562      137.6  
1 1 1 2  43 6  o 2.357000       0.7070000     292.7899      -78.6  
1 1 1 2  43 7  o 12.68000       0.7566000     724.6304      99.2   
1 1 1 2  43 8  o 21.83000       0.8461000     755.5280      -133.1 
1 1 1 2  43 9  o 35.39000       1.040000      802.6619      -147.2 
1 1 1 2  43 10 o 0.3517000      0.5257000     72.23394      87.5   
1 1 1 2  43 11 o -0.5090000     0.5949000     74.49773      -135.1 
1 1 1 2  43 12 o 2.188000       0.9791000     250.5671      -133.1 
1 1 1 2  43 13 o 18.89000       1.887000      538.1669      104.4  
1 1 1 2  43 14 o 5.586000       3.062000      326.9662      -96.4  
1 1 1 2  43 15 o 9.328000       2.159000      486.6500      45.9   
1 1 1 2  43 16 o 5.642000       1.494000      357.7282      -61.3  
1 1 1 2  43 17 o 59.93000       2.457000      1132.546      151.1  
1 1 1 2  43 18 o 7.553000       1.504000      544.6129      20.7   
1 1 1 2  43 19 o 12.29000       1.568000      533.1146      -151.9 
1 1 1 2  43 20 o 2.328000       1.491000      293.5141      -7.7   
1 1 1 2  43 21 o 4.349000       1.502000      163.5485      -71.0  
1 1 1 2  43 22 o 4.224000       1.504000      271.4972      -132.2 
1 1 1 2  43 23 o 7.873000       1.563000      468.7427      14.9   
1 1 1 2  43 24 o 4.548000       1.565000      201.1012      0.4    
1 1 1 2  43 25 o 24.03000       1.861000      685.2609      101.3  
1 1 1 2  43 26 o 3.024000       1.668000      141.4049      165.5  
1 1 1 2  43 27 o 1.733000       1.704000      130.9068      143.8  
1 1 1 2  43 28 o 9.128000       1.794000      387.4777      -1.7   
1 1 1 2  43 29 o 3.564000       2.189000      317.5879      -176.5 
1 1 1 2  43 30 o 5.706000       3.922000      379.9270      -66.8  
1 1 1 2  43 31 o 3.111000       2.824000      269.5122      29.8   
1 1 1 2  43 32 o 2.883000       2.001000      164.4371      158.5  
1 1 1 2  43 33 o 17.55000       2.191000      784.4780      147.4  
1 1 1 2  43 34 o 20.78000       2.284000      621.9146      17.4   
1 1 1 2  43 35 o -0.5429000     2.081000      247.2040      -113.2 
1 1 1 2  43 36 o 1.142000       1.586000      159.5432      119.7  
1 1 1 2  43 37 o 8.108000       0.9980000     460.3432      46.6   
1 1 1 2  43 38 o 12.23000       0.9574000     ?             ?      
1 1 1 2  43 39 o 2.437000       0.6642000     ?             ?      
1 1 1 2  43 40 o 3.968000       0.7338000     ?             ?      
1 1 1 2  43 41 o -0.3677000     0.7805000     ?             ?      
1 1 1 2  43 42 o 3.919000       0.8505000     ?             ?      
1 1 1 2  43 43 o 2.057000       0.8551000     ?             ?      
1 1 1 2  43 44 o -0.2637000E-01 1.114000      ?             ?      
1 1 1 2  43 45 o 6.454000       2.207000      ?             ?      
1 1 1 2  43 46 o 2.006000       1.388000      ?             ?      
1 1 1 2  43 47 o 0.6198000      0.9380000     ?             ?      
1 1 1 2  43 48 o 6.307000       0.9946000     ?             ?      
1 1 1 2  43 49 o 5.216000       1.016000      ?             ?      
1 1 1 2  43 50 o 3.434000       1.031000      ?             ?      
1 1 1 2  43 51 o 2.748000       1.009000      ?             ?      
1 1 1 2  43 52 o 2.308000       1.023000      ?             ?      
1 1 1 2  43 53 o 0.5919000      1.008000      ?             ?      
1 1 1 2  43 54 o -0.3748000     1.032000      ?             ?      
1 1 1 2  43 55 o 0.2793000      1.059000      ?             ?      
1 1 1 2  43 56 o 1.392000       1.095000      ?             ?      
1 1 1 2  43 57 o 2.201000       1.122000      ?             ?      
1 1 1 2  43 58 o 1.207000       1.224000      ?             ?      
1 1 1 2  43 59 o 1.407000       2.603000      ?             ?      
1 1 1 2  44 0  o 10.74000       1.142000      315.4146      -180.0 
1 1 1 2  44 1  o 5.791000       0.8345000     248.3318      -25.4  
1 1 1 2  44 2  o 20.31000       1.208000      606.8699      38.8   
1 1 1 2  44 3  o 28.97000       1.214000      805.0900      150.1  
1 1 1 2  44 4  o 37.14000       1.152000      969.4084      -38.4  
1 1 1 2  44 5  o 17.04000       0.8713000     654.1530      33.2   
1 1 1 2  44 6  o 53.61000       1.387000      1049.694      -6.7   
1 1 1 2  44 7  o 11.10000       0.7601000     584.0956      141.6  
1 1 1 2  44 8  o 20.47000       0.8410000     709.1459      -115.5 
1 1 1 2  44 9  o 0.9138000      0.6049000     195.2771      69.0   
1 1 1 2  44 10 o 1.937000       0.5295000     256.7358      -1.5   
1 1 1 2  44 11 o 0.5120000      0.5812000     265.5648      -146.1 
1 1 1 2  44 12 o 15.99000       1.204000      636.9474      -36.4  
1 1 1 2  44 13 o 2.386000       1.956000      334.8507      -71.4  
1 1 1 2  44 14 o -5.474000      2.913000      157.5440      57.5   
1 1 1 2  44 15 o 8.664000       1.862000      495.7828      -20.2  
1 1 1 2  44 16 o 2.859000       1.475000      256.4546      -53.4  
1 1 1 2  44 17 o 5.316000       1.509000      348.5788      -132.6 
1 1 1 2  44 18 o -1.781000      1.491000      57.11238      82.6   
1 1 1 2  44 19 o 25.23000       1.807000      721.3138      6.0    
1 1 1 2  44 20 o 4.770000       1.539000      263.1714      -58.8  
1 1 1 2  44 21 o 1.191000       1.519000      176.2077      -88.9  
1 1 1 2  44 22 o 10.99000       1.626000      424.6561      -59.0  
1 1 1 2  44 23 o 14.65000       1.684000      545.9030      173.2  
1 1 1 2  44 24 o -0.7038000     1.585000      234.0523      101.5  
1 1 1 2  44 25 o 3.890000       1.676000      263.6392      -148.0 
1 1 1 2  44 26 o 13.72000       1.890000      446.1458      143.5  
1 1 1 2  44 27 f 7.897000       1.862000      346.9966      -102.3 
1 1 1 2  44 28 o 1.212000       1.869000      202.7296      -66.5  
1 1 1 2  44 29 o -1.696000      2.633000      164.0389      174.0  
1 1 1 2  44 30 o 27.30000       4.907000      801.9216      -157.0 
1 1 1 2  44 31 o 7.343000       2.535000      364.2847      -170.9 
1 1 1 2  44 32 o 5.434000       2.055000      217.8823      175.1  
1 1 1 2  44 33 o 12.59000       2.179000      471.6089      4.8    
1 1 1 2  44 34 o 11.35000       2.171000      530.1772      -149.5 
1 1 1 2  44 35 o 9.463000       2.165000      420.1327      132.9  
1 1 1 2  44 36 o 9.357000       2.163000      400.1904      -174.3 
1 1 1 2  44 37 o 3.463000       2.977000      ?             ?      
1 1 1 2  44 38 o 4.855000       1.604000      ?             ?      
1 1 1 2  44 39 o 20.46000       1.817000      ?             ?      
1 1 1 2  44 40 o 3.298000       0.6155000     ?             ?      
1 1 1 2  44 41 o 6.437000       0.8273000     ?             ?      
1 1 1 2  44 42 o 0.5405000      0.7234000     ?             ?      
1 1 1 2  44 43 o -1.117000      0.7736000     ?             ?      
1 1 1 2  44 44 o -0.6107000     0.8373000     ?             ?      
1 1 1 2  44 45 o 2.213000       1.242000      ?             ?      
1 1 1 2  44 46 o 2.700000       1.627000      ?             ?      
1 1 1 2  44 47 o 1.110000       1.191000      ?             ?      
1 1 1 2  44 48 o 5.171000       0.9548000     ?             ?      
1 1 1 2  44 49 o 3.128000       0.9609000     ?             ?      
1 1 1 2  44 50 o 2.965000       0.9811000     ?             ?      
1 1 1 2  44 51 o 1.509000       0.9909000     ?             ?      
1 1 1 2  44 52 o 1.384000       1.038000      ?             ?      
1 1 1 2  44 53 o 1.226000       1.016000      ?             ?      
1 1 1 2  44 54 o -0.3829000E-01 1.037000      ?             ?      
1 1 1 2  44 56 o -0.8103000     1.073000      ?             ?      
1 1 1 2  44 57 o 5.718000       1.134000      ?             ?      
1 1 1 2  44 58 o 0.7775000      1.205000      ?             ?      
1 1 1 2  45 0  o 0.9654000      1.077000      174.8119      -0.0   
1 1 1 2  45 1  o 5.464000       0.7929000     337.7263      -25.7  
1 1 1 2  45 2  o 14.38000       1.141000      567.9053      3.5    
1 1 1 2  45 3  o 3.013000       1.036000      244.9749      59.3   
1 1 1 2  45 4  o 1.689000       0.8409000     276.3771      -154.8 
1 1 1 2  45 5  o 0.4668000      0.7407000     121.5084      -102.0 
1 1 1 2  45 6  o -0.3950000     0.7278000     199.0652      -127.1 
1 1 1 2  45 7  o -0.1620000     0.7039000     174.3456      -159.9 
1 1 1 2  45 8  o 2.035000       0.6900000     298.4976      -72.2  
1 1 1 2  45 9  o 16.24000       0.7647000     717.3378      -111.8 
1 1 1 2  45 10 o 1.408000       0.5564000     94.39987      -45.5  
1 1 1 2  45 11 o -0.1689000     0.5577000     147.9623      106.6  
1 1 1 2  45 12 o -0.1785000     1.436000      92.99248      -152.2 
1 1 1 2  45 13 o 4.211000       3.007000      315.6369      67.7   
1 1 1 2  45 14 o 21.17000       2.481000      615.2000      -23.9  
1 1 1 2  45 15 o 15.55000       1.632000      536.7307      111.8  
1 1 1 2  45 16 o 4.975000       1.535000      354.8648      -98.9  
1 1 1 2  45 17 o 60.14000       2.531000      1136.010      86.1   
1 1 1 2  45 18 o 11.52000       1.642000      450.4835      25.0   
1 1 1 2  45 19 o 18.80000       1.771000      502.3162      -16.3  
1 1 1 2  45 20 o -0.2099000     1.584000      87.59480      -113.5 
1 1 1 2  45 21 o 2.090000       1.623000      234.3223      43.0   
1 1 1 2  45 22 o 2.291000       1.640000      210.9663      -56.8  
1 1 1 2  45 23 o 19.98000       1.854000      586.0156      75.0   
1 1 1 2  45 24 o 10.62000       1.768000      425.6076      139.4  
1 1 1 2  45 25 o 21.09000       2.769000      523.9927      -168.9 
1 1 1 2  45 26 o 17.20000       2.050000      506.5806      -4.6   
1 1 1 2  45 27 o 9.842000       1.982000      529.9368      -106.5 
1 1 1 2  45 28 o 3.370000       2.366000      189.0088      -175.9 
1 1 1 2  45 29 o 4.255000       4.099000      362.9194      -53.5  
1 1 1 2  45 30 o 4.084000       2.971000      365.9262      -21.4  
1 1 1 2  45 31 o 3.836000       2.038000      125.1559      173.3  
1 1 1 2  45 32 o 1.944000       2.055000      186.6628      129.3  
1 1 1 2  45 33 o 2.942000       2.055000      281.5887      -20.4  
1 1 1 2  45 34 o 10.97000       2.185000      431.4467      -155.7 
1 1 1 2  45 35 o -2.672000      2.049000      ?             ?      
1 1 1 2  45 36 o 11.54000       2.123000      ?             ?      
1 1 1 2  45 37 o 3.723000       2.031000      ?             ?      
1 1 1 2  45 38 o 10.00000       1.621000      ?             ?      
1 1 1 2  45 39 o -0.6420000     1.549000      ?             ?      
1 1 1 2  45 40 o 3.732000       0.9032000     ?             ?      
1 1 1 2  45 41 o 2.038000       0.7744000     ?             ?      
1 1 1 2  45 42 f 2.172000       0.6371000     ?             ?      
1 1 1 2  45 43 o 1.339000       0.6865000     ?             ?      
1 1 1 2  45 44 o 0.5284000      0.7658000     ?             ?      
1 1 1 2  45 45 o 1.380000       0.8146000     ?             ?      
1 1 1 2  45 46 o 0.9363000      1.062000      ?             ?      
1 1 1 2  45 47 o -2.079000      1.579000      ?             ?      
1 1 1 2  45 48 o 2.395000       1.173000      ?             ?      
1 1 1 2  45 49 o -0.7903000E-01 0.9133000     ?             ?      
1 1 1 2  45 50 o 1.654000       0.9528000     ?             ?      
1 1 1 2  45 51 o 3.512000       0.9953000     ?             ?      
1 1 1 2  45 52 o 0.1970000E-01  0.9950000     ?             ?      
1 1 1 2  45 53 o 0.4284000      1.010000      ?             ?      
1 1 1 2  45 54 o 0.8026000      1.038000      ?             ?      
1 1 1 2  45 55 o 1.157000       1.068000      ?             ?      
1 1 1 2  45 56 o 1.500000       1.082000      ?             ?      
1 1 1 2  45 57 o -0.6055000     1.171000      ?             ?      
1 1 1 2  46 0  o 0.6158000      1.091000      152.8469      -180.0 
1 1 1 2  46 1  o 5.973000       0.8126000     401.6705      136.8  
1 1 1 2  46 2  o -0.6493000     0.9038000     67.83842      111.3  
1 1 1 2  46 3  o -0.2297000     1.048000      97.97647      -57.0  
1 1 1 2  46 4  o 2.200000       0.8493000     130.0950      -129.5 
1 1 1 2  46 5  o 4.356000       0.7806000     313.4568      -73.3  
1 1 1 2  46 6  o 7.897000       0.7990000     395.8652      21.5   
1 1 1 2  46 7  o 3.923000       0.7474000     271.7337      -20.2  
1 1 1 2  46 8  o 0.2271000      0.7162000     210.2198      -85.4  
1 1 1 2  46 9  o -1.790000      0.6638000     188.4362      137.6  
1 1 1 2  46 10 o -0.5527000     0.5784000     202.5355      161.6  
1 1 1 2  46 11 o 3.560000       0.6071000     206.5964      -178.3 
1 1 1 2  46 12 o 1.305000       2.016000      328.9359      -19.0  
1 1 1 2  46 13 o 4.592000       3.198000      438.9717      -82.3  
1 1 1 2  46 14 o 2.273000       1.899000      240.7036      -170.5 
1 1 1 2  46 15 o 11.41000       1.634000      532.7382      15.9   
1 1 1 2  46 16 o 36.04000       2.072000      785.3093      140.6  
1 1 1 2  46 17 o 6.660000       1.654000      299.4973      83.0   
1 1 1 2  46 18 o 1.504000       1.613000      171.1241      147.0  
1 1 1 2  46 19 o 14.55000       1.768000      521.7733      158.7  
1 1 1 2  46 20 o 4.509000       1.678000      252.2412      113.5  
1 1 1 2  46 21 o 21.26000       1.901000      623.5326      -74.0  
1 1 1 2  46 22 o 12.78000       1.821000      587.7507      118.0  
1 1 1 2  46 23 o 2.884000       1.757000      187.2271      -153.7 
1 1 1 2  46 24 o 4.955000       1.833000      212.3261      -94.5  
1 1 1 2  46 25 o 2.785000       1.892000      165.5177      112.4  
1 1 1 2  46 26 o 5.667000       1.957000      212.3821      38.5   
1 1 1 2  46 27 o 11.08000       2.041000      406.1604      -111.0 
1 1 1 2  46 28 o 1.394000       2.779000      123.2278      -121.5 
1 1 1 2  46 29 o -2.572000      4.262000      163.3496      16.6   
1 1 1 2  46 30 o 4.166000       2.618000      499.0346      -179.6 
1 1 1 2  46 31 o 0.6666000      2.051000      184.6737      149.6  
1 1 1 2  46 32 o 2.587000       2.048000      122.5086      -52.3  
1 1 1 2  46 33 o 8.704000       2.089000      ?             ?      
1 1 1 2  46 34 o 16.83000       2.204000      ?             ?      
1 1 1 2  46 35 o 0.8953000      1.997000      ?             ?      
1 1 1 2  46 36 o -2.661000      1.957000      ?             ?      
1 1 1 2  46 37 o 4.435000       2.007000      ?             ?      
1 1 1 2  46 38 o 2.384000       2.024000      ?             ?      
1 1 1 2  46 39 o 3.693000       2.006000      ?             ?      
1 1 1 2  46 40 o 2.468000       2.009000      ?             ?      
1 1 1 2  46 41 o 0.7366000      1.551000      ?             ?      
1 1 1 2  46 42 o 6.527000       0.7826000     ?             ?      
1 1 1 2  46 43 o 0.2525000      0.6469000     ?             ?      
1 1 1 2  46 44 o 0.3589000      0.6821000     ?             ?      
1 1 1 2  46 45 o 1.180000       0.7038000     ?             ?      
1 1 1 2  46 46 o 0.6894000      0.7448000     ?             ?      
1 1 1 2  46 47 o 1.498000       1.043000      ?             ?      
1 1 1 2  46 48 o 1.868000       1.609000      ?             ?      
1 1 1 2  46 49 o -0.2500000     1.136000      ?             ?      
1 1 1 2  46 50 o 1.430000       1.039000      ?             ?      
1 1 1 2  46 51 o 3.464000       0.9510000     ?             ?      
1 1 1 2  46 52 o -0.1219000     1.016000      ?             ?      
1 1 1 2  46 53 o 0.3584000      1.046000      ?             ?      
1 1 1 2  46 54 o -0.8599000     1.490000      ?             ?      
1 1 1 2  46 55 o -0.1609000     1.073000      ?             ?      
1 1 1 2  46 56 o 0.8051000      1.101000      ?             ?      
1 1 1 2  47 0  f 20.46000       1.376000      532.8005      -0.0   
1 1 1 2  47 1  o 1.912000       0.8117000     129.4973      10.4   
1 1 1 2  47 2  o 0.3909000      0.8712000     72.16825      -126.0 
1 1 1 2  47 3  o 0.3255000E-01  1.096000      162.4781      166.4  
1 1 1 2  47 4  o 3.695000       0.9688000     243.5351      119.3  
1 1 1 2  47 5  o 5.601000       0.8071000     185.7550      -170.8 
1 1 1 2  47 6  o -0.5889000     0.7779000     99.61066      -3.7   
1 1 1 2  47 7  o 2.897000       0.7792000     165.5854      -132.8 
1 1 1 2  47 8  o 0.8442000      0.7603000     71.19882      -48.2  
1 1 1 2  47 9  o 29.62000       1.194000      754.6611      -118.7 
1 1 1 2  47 10 o 9.559000       0.8156000     322.1346      -1.7   
1 1 1 2  47 11 o 3.676000       0.4763000     227.2670      -41.6  
1 1 1 2  47 12 o 3.251000       3.052000      208.5164      31.5   
1 1 1 2  47 13 o 2.091000       2.320000      249.0751      55.1   
1 1 1 2  47 14 o 18.30000       1.757000      582.6691      -75.5  
1 1 1 2  47 15 o 3.981000       1.625000      151.1633      141.1  
1 1 1 2  47 16 o -0.5155000     1.648000      152.1535      -103.3 
1 1 1 2  47 17 o 4.897000       1.675000      184.4836      -94.2  
1 1 1 2  47 18 o -0.7301000     1.661000      149.8611      -73.1  
1 1 1 2  47 19 o -0.1105000     1.694000      102.8577      8.7    
1 1 1 2  47 20 o 0.6496000      1.719000      183.6853      5.0    
1 1 1 2  47 21 o 6.998000       1.816000      318.3065      67.4   
1 1 1 2  47 22 o 5.402000       1.818000      363.5547      19.3   
1 1 1 2  47 23 o 3.171000       1.833000      246.6231      155.9  
1 1 1 2  47 24 o 10.56000       1.948000      545.3917      -102.8 
1 1 1 2  47 25 o 5.366000       1.915000      121.8811      -147.8 
1 1 1 2  47 26 o 0.1616000      1.944000      47.97124      51.6   
1 1 1 2  47 27 o 1.715000       2.396000      213.4269      150.2  
1 1 1 2  47 28 o -3.733000      3.997000      265.3972      98.4   
1 1 1 2  47 29 o 33.21000       3.535000      728.6100      -53.6  
1 1 1 2  47 30 o 1.822000       2.037000      237.4331      77.9   
1 1 1 2  47 31 o -0.3551000     2.005000      ?             ?      
1 1 1 2  47 32 o 2.216000       2.017000      ?             ?      
1 1 1 2  47 33 o 0.4447000      2.023000      ?             ?      
1 1 1 2  47 34 o 3.473000       2.021000      ?             ?      
1 1 1 2  47 35 o -0.3799000     1.961000      ?             ?      
1 1 1 2  47 36 o 0.9333000      1.954000      ?             ?      
1 1 1 2  47 37 o 1.241000       1.977000      ?             ?      
1 1 1 2  47 38 o 1.577000       1.995000      ?             ?      
1 1 1 2  47 39 o -2.496000      1.974000      ?             ?      
1 1 1 2  47 40 o 3.521000       2.019000      ?             ?      
1 1 1 2  47 41 o 4.137000       1.527000      ?             ?      
1 1 1 2  47 42 o 0.2055000      2.013000      ?             ?      
1 1 1 2  47 43 o -0.4309000     0.9418000     ?             ?      
1 1 1 2  47 44 o 1.429000       0.7918000     ?             ?      
1 1 1 2  47 45 o 1.024000       0.6054000     ?             ?      
1 1 1 2  47 46 o -0.1224000     0.6680000     ?             ?      
1 1 1 2  47 47 o 0.1216000      0.7187000     ?             ?      
1 1 1 2  47 48 o -1.076000      0.9115000     ?             ?      
1 1 1 2  47 49 o 2.944000       1.074000      ?             ?      
1 1 1 2  47 50 o 0.6463000      1.212000      ?             ?      
1 1 1 2  47 51 o -2.209000      1.094000      ?             ?      
1 1 1 2  47 52 o 0.7895000      0.9592000     ?             ?      
1 1 1 2  47 53 o -1.828000      0.9946000     ?             ?      
1 1 1 2  47 54 o -0.8450000     1.043000      ?             ?      
1 1 1 2  47 55 o 0.3881000      1.503000      ?             ?      
1 1 1 2  48 0  o 40.85000       1.832000      769.1682      180.0  
1 1 1 2  48 1  o 3.054000       0.8474000     221.3206      -139.6 
1 1 1 2  48 2  o 4.223000       0.9227000     246.1618      -122.9 
1 1 1 2  48 3  o 7.789000       1.171000      303.8116      -12.6  
1 1 1 2  48 4  o 5.343000       0.9978000     373.0242      -148.7 
1 1 1 2  48 5  o 0.3035000      0.8248000     139.0848      -36.6  
1 1 1 2  48 6  o 23.90000       1.194000      600.3365      8.7    
1 1 1 2  48 7  o 3.472000       0.8947000     235.0216      4.6    
1 1 1 2  48 8  o 17.53000       1.036000      575.0261      -161.7 
1 1 1 2  48 9  o 1.585000       0.8039000     154.1640      159.2  
1 1 1 2  48 10 o 1.381000       0.8521000     179.5305      24.1   
1 1 1 2  48 11 o 0.9479000E-01  0.5928000     17.46618      -118.4 
1 1 1 2  48 13 o 6.425000       2.020000      300.1480      -135.1 
1 1 1 2  48 14 o 3.856000       1.652000      282.4471      83.7   
1 1 1 2  48 15 o 13.08000       1.769000      506.9991      4.2    
1 1 1 2  48 16 o 21.00000       1.924000      544.9261      173.5  
1 1 1 2  48 17 o 5.528000       1.761000      323.0353      162.4  
1 1 1 2  48 18 o 12.09000       1.842000      437.8318      90.1   
1 1 1 2  48 19 o 3.062000       1.785000      258.6825      86.1   
1 1 1 2  48 20 o 8.127000       1.894000      295.1854      -164.3 
1 1 1 2  48 21 o 0.2147000E-01  1.840000      145.5047      -19.3  
1 1 1 2  48 22 o 9.357000       1.912000      393.6899      162.6  
1 1 1 2  48 23 o 5.640000       1.922000      355.7708      -27.7  
1 1 1 2  48 24 o 3.024000       1.939000      167.1654      51.8   
1 1 1 2  48 25 o 13.90000       2.037000      353.6091      77.7   
1 1 1 2  48 26 o 8.179000       2.007000      361.1563      -139.0 
1 1 1 2  48 27 o 2.841000       2.734000      259.6516      -52.0  
1 1 1 2  48 28 o 11.11000       4.438000      445.8628      92.2   
1 1 1 2  48 29 o 4.164000       2.559000      ?             ?      
1 1 1 2  48 30 o 7.366000       2.036000      ?             ?      
1 1 1 2  48 31 o 1.362000       1.974000      ?             ?      
1 1 1 2  48 32 f 10.83000       2.092000      ?             ?      
1 1 1 2  48 33 o 0.7100000      2.003000      ?             ?      
1 1 1 2  48 34 o 2.611000       2.000000      ?             ?      
1 1 1 2  48 35 o 4.260000       2.009000      ?             ?      
1 1 1 2  48 36 o 4.585000       1.974000      ?             ?      
1 1 1 2  48 37 o -1.830000      1.955000      ?             ?      
1 1 1 2  48 38 o 0.6071000      1.955000      ?             ?      
1 1 1 2  48 39 o 1.012000       1.995000      ?             ?      
1 1 1 2  48 40 o -3.308000      2.002000      ?             ?      
1 1 1 2  48 41 o -3.604000      2.006000      ?             ?      
1 1 1 2  48 42 o 11.54000       2.902000      ?             ?      
1 1 1 2  48 43 o -0.1984000     3.075000      ?             ?      
1 1 1 2  48 44 o 1.046000       1.564000      ?             ?      
1 1 1 2  48 45 o 1.522000       0.7190000     ?             ?      
1 1 1 2  48 46 o 3.240000       0.8333000     ?             ?      
1 1 1 2  48 47 o 1.171000       0.6537000     ?             ?      
1 1 1 2  48 48 o 2.044000       0.7033000     ?             ?      
1 1 1 2  48 49 o 0.1224000      0.7458000     ?             ?      
1 1 1 2  48 50 o -1.496000      1.078000      ?             ?      
1 1 1 2  48 51 o -0.3718000     2.136000      ?             ?      
1 1 1 2  48 52 o -0.8556000     1.253000      ?             ?      
1 1 1 2  48 53 o 0.4693000      0.9758000     ?             ?      
1 1 1 2  48 54 o 1.141000       1.011000      ?             ?      
1 1 1 2  49 0  o -2.091000      1.235000      136.0056      -0.0   
1 1 1 2  49 1  f 0.4798000      0.8521000     129.5687      -38.4  
1 1 1 2  49 2  o 0.7661000      0.9035000     148.6852      21.7   
1 1 1 2  49 3  o 1.668000       1.139000      181.1859      58.0   
1 1 1 2  49 4  o 3.353000       1.165000      273.7872      146.0  
1 1 1 2  49 5  o 0.7342000      0.9206000     162.4617      136.8  
1 1 1 2  49 6  o 1.226000       0.9641000     116.2476      -59.2  
1 1 1 2  49 7  o 3.055000       0.9472000     192.9570      66.0   
1 1 1 2  49 8  o 0.1957000      0.8955000     74.73133      24.4   
1 1 1 2  49 9  o 3.879000       0.7217000     365.4932      -56.8  
1 1 1 2  49 10 o 4.060000       0.6599000     285.5085      -113.2 
1 1 1 2  49 11 o 3.005000       0.6547000     148.3676      -51.3  
1 1 1 2  49 12 o -1.536000      3.338000      257.6266      -47.4  
1 1 1 2  49 13 o 5.834000       1.694000      104.3300      129.8  
1 1 1 2  49 14 o 4.420000       1.713000      310.5686      -10.9  
1 1 1 2  49 15 o 3.459000       1.737000      223.7193      164.5  
1 1 1 2  49 16 o 12.27000       1.846000      498.0924      -133.3 
1 1 1 2  49 17 o 4.953000       1.829000      259.5661      173.4  
1 1 1 2  49 18 o 4.073000       1.811000      75.62865      27.5   
1 1 1 2  49 19 o 6.676000       1.859000      257.9787      -28.1  
1 1 1 2  49 20 o 3.112000       2.608000      170.4241      -8.6   
1 1 1 2  49 21 o 3.082000       1.862000      142.1357      -1.6   
1 1 1 2  49 22 o 2.671000       1.891000      36.06615      149.7  
1 1 1 2  49 23 o 18.19000       2.076000      540.1831      -115.6 
1 1 1 2  49 24 o 1.881000       1.930000      156.5601      51.8   
1 1 1 2  49 25 o 6.553000       1.967000      259.9016      85.9   
1 1 1 2  49 26 o 6.017000       2.373000      268.4752      146.0  
1 1 1 2  49 28 o -1.555000      2.920000      ?             ?      
1 1 1 2  49 29 o -2.210000      1.923000      ?             ?      
1 1 1 2  49 30 o 3.736000       1.962000      ?             ?      
1 1 1 2  49 31 f 1.567000       1.955000      ?             ?      
1 1 1 2  49 32 o 0.3646000      1.985000      ?             ?      
1 1 1 2  49 33 o 13.40000       2.110000      ?             ?      
1 1 1 2  49 34 o 3.965000       2.003000      ?             ?      
1 1 1 2  49 35 o 1.467000       1.959000      ?             ?      
1 1 1 2  49 36 o -1.972000      1.947000      ?             ?      
1 1 1 2  49 37 o 2.851000       1.996000      ?             ?      
1 1 1 2  49 38 o 4.451000       2.017000      ?             ?      
1 1 1 2  49 39 o 0.9044000      1.988000      ?             ?      
1 1 1 2  49 40 o 1.496000       1.998000      ?             ?      
1 1 1 2  49 41 o 2.980000       2.731000      ?             ?      
1 1 1 2  49 43 o 0.4845000      2.983000      ?             ?      
1 1 1 2  49 44 o 1.050000       2.028000      ?             ?      
1 1 1 2  49 45 o 0.1632000      2.030000      ?             ?      
1 1 1 2  49 46 o 1.249000       0.8687000     ?             ?      
1 1 1 2  49 47 o 0.3706000      0.7534000     ?             ?      
1 1 1 2  49 48 o -0.5713000     0.6031000     ?             ?      
1 1 1 2  49 49 o -0.6224000     0.6943000     ?             ?      
1 1 1 2  49 50 o -0.7229000     0.7311000     ?             ?      
1 1 1 2  49 51 o 0.2885000      1.056000      ?             ?      
1 1 1 2  49 52 o 0.8868000      2.155000      ?             ?      
1 1 1 2  50 0  o 10.49000       1.866000      252.4328      -180.0 
1 1 1 2  50 1  o 0.7085000      1.057000      214.7608      106.0  
1 1 1 2  50 2  o -1.466000      0.8868000     49.26138      -69.9  
1 1 1 2  50 3  o 2.968000       1.215000      225.1245      -110.4 
1 1 1 2  50 4  o 0.6898000      1.229000      108.0446      -111.3 
1 1 1 2  50 5  o 0.6486000      0.9456000     167.5193      -46.3  
1 1 1 2  50 6  o -0.6529000     0.8368000     9.635492      102.4  
1 1 1 2  50 7  o 1.240000       0.8173000     165.1372      121.2  
1 1 1 2  50 8  o 1.180000       0.7829000     107.1432      -98.9  
1 1 1 2  50 9  o 3.569000       0.6933000     277.5399      -3.1   
1 1 1 2  50 10 o 1.543000       0.6346000     109.4914      16.3   
1 1 1 2  50 11 o 1.953000       0.4383000     85.98845      -82.5  
1 1 1 2  50 12 o 4.839000       2.109000      191.4156      146.2  
1 1 1 2  50 13 o 1.918000       1.673000      114.8071      -47.8  
1 1 1 2  50 14 o 3.569000       1.731000      144.4722      -54.0  
1 1 1 2  50 15 o 3.518000       1.758000      136.6319      -139.0 
1 1 1 2  50 16 o 12.01000       1.873000      458.7802      -167.7 
1 1 1 2  50 17 o 3.223000       1.810000      166.3116      66.5   
1 1 1 2  50 18 o 16.52000       1.983000      499.0807      7.7    
1 1 1 2  50 19 o -3.525000      1.820000      97.33413      101.7  
1 1 1 2  50 20 o 5.101000       1.859000      305.6404      -147.8 
1 1 1 2  50 21 o 2.968000       1.851000      233.7756      -41.0  
1 1 1 2  50 22 o 8.355000       1.935000      223.2774      143.0  
1 1 1 2  50 23 o -0.3709000     1.868000      118.6609      1.9    
1 1 1 2  50 24 o 4.823000       1.909000      ?             ?      
1 1 1 2  50 25 o -0.6722000     1.894000      ?             ?      
1 1 1 2  50 26 o -0.6555000     2.588000      ?             ?      
1 1 1 2  50 27 o -2.855000      4.227000      ?             ?      
1 1 1 2  50 28 o 3.427000       1.963000      ?             ?      
1 1 1 2  50 29 o 3.242000       1.928000      ?             ?      
1 1 1 2  50 30 o 7.476000       1.992000      ?             ?      
1 1 1 2  50 31 o 5.845000       2.001000      ?             ?      
1 1 1 2  50 32 o 0.7708000      1.972000      ?             ?      
1 1 1 2  50 33 o 3.634000       1.987000      ?             ?      
1 1 1 2  50 34 o 6.501000       1.995000      ?             ?      
1 1 1 2  50 35 o 0.7537000      1.931000      ?             ?      
1 1 1 2  50 36 o 3.411000       1.968000      ?             ?      
1 1 1 2  50 37 o 0.6619000      1.985000      ?             ?      
1 1 1 2  50 38 o 1.104000       1.943000      ?             ?      
1 1 1 2  50 39 o 0.7313000      1.985000      ?             ?      
1 1 1 2  50 40 o 1.023000       2.001000      ?             ?      
1 1 1 2  50 41 o -2.010000      2.692000      ?             ?      
1 1 1 2  50 42 o -1.695000      2.984000      ?             ?      
1 1 1 2  50 43 o -2.265000      2.023000      ?             ?      
1 1 1 2  50 44 o 3.045000       2.037000      ?             ?      
1 1 1 2  50 45 o 2.276000       2.094000      ?             ?      
1 1 1 2  50 46 o -1.825000      2.738000      ?             ?      
1 1 1 2  50 47 o -0.6993000     2.095000      ?             ?      
1 1 1 2  50 48 o -1.279000      0.9457000     ?             ?      
1 1 1 2  50 49 o 0.8854000      0.8264000     ?             ?      
1 1 1 2  50 50 o 0.9026000      0.6506000     ?             ?      
1 1 1 2  50 51 o 0.9476000      0.7330000     ?             ?      
1 1 1 2  51 0  o 0.5075000      1.925000      42.52403      -180.0 
1 1 1 2  51 1  o 2.897000       1.180000      143.3933      -54.8  
1 1 1 2  51 2  o 0.9612000      1.008000      88.14473      130.3  
1 1 1 2  51 3  o 2.183000       1.272000      179.4201      -56.0  
1 1 1 2  51 4  o 0.5067000      1.562000      129.1613      89.2   
1 1 1 2  51 5  o 5.485000       1.137000      234.6184      84.5   
1 1 1 2  51 6  o 5.726000       0.8958000     156.7719      5.5    
1 1 1 2  51 7  o 1.355000       0.8452000     96.19807      -57.2  
1 1 1 2  51 8  o 3.254000       0.8154000     255.9351      -69.3  
1 1 1 2  51 9  o -0.8010000     0.6706000     89.30576      32.2   
1 1 1 2  51 10 o 1.509000       0.6487000     87.52982      91.7   
1 1 1 2  51 11 o 1.555000       0.6593000     206.4247      -34.8  
1 1 1 2  51 12 o 6.749000       2.125000      256.5910      -102.8 
1 1 1 2  51 13 o 4.574000       1.719000      182.2179      52.2   
1 1 1 2  51 14 o 0.3769000      1.708000      163.9599      5.6    
1 1 1 2  51 15 o 0.9968000      1.742000      113.4582      -121.9 
1 1 1 2  51 16 o 0.7461000      1.768000      139.9971      -171.5 
1 1 1 2  51 17 o 20.77000       2.049000      399.3622      72.1   
1 1 1 2  51 18 o 4.253000       1.861000      225.1709      -83.7  
1 1 1 2  51 19 o -1.050000      1.791000      110.2910      58.6   
1 1 1 2  51 20 o 3.497000       1.878000      259.0776      88.9   
1 1 1 2  51 21 o 5.123000       1.905000      ?             ?      
1 1 1 2  51 22 o -2.233000      1.864000      ?             ?      
1 1 1 2  51 23 o 4.117000       1.883000      ?             ?      
1 1 1 2  51 24 o 4.741000       1.890000      ?             ?      
1 1 1 2  51 25 o 0.6348000      2.270000      ?             ?      
1 1 1 2  51 27 o 3.611000       2.816000      ?             ?      
1 1 1 2  51 28 o 8.924000       1.968000      ?             ?      
1 1 1 2  51 29 o 4.123000       1.920000      ?             ?      
1 1 1 2  51 30 o -0.6108000E-01 1.899000      ?             ?      
1 1 1 2  51 31 o 1.855000       1.916000      ?             ?      
1 1 1 2  51 32 o 2.387000       1.920000      ?             ?      
1 1 1 2  51 33 o 1.363000       1.912000      ?             ?      
1 1 1 2  51 34 o 4.573000       1.976000      ?             ?      
1 1 1 2  51 35 o 3.301000       1.936000      ?             ?      
1 1 1 2  51 36 o 1.107000       1.963000      ?             ?      
1 1 1 2  51 37 o -3.518000      1.948000      ?             ?      
1 1 1 2  51 38 o 1.657000       1.950000      ?             ?      
1 1 1 2  51 39 o -1.171000      1.974000      ?             ?      
1 1 1 2  51 40 o 4.999000       2.773000      ?             ?      
1 1 1 2  51 42 o -0.9985000     2.978000      ?             ?      
1 1 1 2  51 43 o 1.053000       2.012000      ?             ?      
1 1 1 2  51 44 o -1.924000      2.039000      ?             ?      
1 1 1 2  51 45 o 0.4049000      2.760000      ?             ?      
1 1 1 2  51 46 o -1.789000      3.867000      ?             ?      
1 1 1 2  51 47 o 0.2745000      2.796000      ?             ?      
1 1 1 2  51 48 o -0.9520000     2.773000      ?             ?      
1 1 1 2  51 49 o 4.514000       2.182000      ?             ?      
1 1 1 2  51 50 o 0.4689000      0.7965000     ?             ?      
1 1 1 2  52 0  o 5.226000       1.362000      55.46173      0.0    
1 1 1 2  52 1  o 2.116000       0.9545000     73.89977      -159.9 
1 1 1 2  52 2  o -0.4826000     1.017000      109.4910      -148.0 
1 1 1 2  52 3  o 12.60000       1.358000      318.8123      -149.7 
1 1 1 2  52 4  o -0.1767000     1.775000      123.4451      -17.4  
1 1 1 2  52 5  o 4.684000       1.571000      208.5971      179.9  
1 1 1 2  52 6  o 2.524000       0.9846000     117.1753      127.9  
1 1 1 2  52 7  o 1.107000       0.9199000     111.2263      58.8   
1 1 1 2  52 8  o 3.106000       0.8500000     160.2657      13.6   
1 1 1 2  52 9  o 0.6430000      0.6899000     107.5100      -63.0  
1 1 1 2  52 10 o 2.916000       0.7631000     76.87767      -84.5  
1 1 1 2  52 11 o 0.9558000      0.6301000     91.91721      37.7   
1 1 1 2  52 12 o 0.9838000      2.296000      27.75327      66.1   
1 1 1 2  52 13 o 2.105000       1.714000      144.1887      -150.2 
1 1 1 2  52 14 o 0.5139000      1.717000      89.82844      88.8   
1 1 1 2  52 15 o -0.7697000     1.742000      94.34377      122.1  
1 1 1 2  52 16 o 4.620000       1.801000      129.8466      -145.6 
1 1 1 2  52 17 o 12.88000       1.892000      203.3813      -25.2  
1 1 1 2  52 18 o 7.642000       1.846000      ?             ?      
1 1 1 2  52 19 o 3.324000       1.824000      ?             ?      
1 1 1 2  52 20 o 3.968000       1.850000      ?             ?      
1 1 1 2  52 21 o 2.318000       1.826000      ?             ?      
1 1 1 2  52 22 o -2.261000      1.824000      ?             ?      
1 1 1 2  52 23 o -1.111000      1.820000      ?             ?      
1 1 1 2  52 24 o 2.447000       1.826000      ?             ?      
1 1 1 2  52 25 o -1.655000      2.469000      ?             ?      
1 1 1 2  52 26 o -4.112000      4.085000      ?             ?      
1 1 1 2  52 27 o -0.7434000     1.881000      ?             ?      
1 1 1 2  52 28 o 1.128000       1.857000      ?             ?      
1 1 1 2  52 29 o -0.2203000     1.837000      ?             ?      
1 1 1 2  52 30 o -1.705000      1.826000      ?             ?      
1 1 1 2  52 31 o -0.5504000E-01 1.882000      ?             ?      
1 1 1 2  52 32 o 6.574000       1.985000      ?             ?      
1 1 1 2  52 33 o 8.889000       1.986000      ?             ?      
1 1 1 2  52 34 o -2.278000      1.865000      ?             ?      
1 1 1 2  52 35 o 0.1643000      1.902000      ?             ?      
1 1 1 2  52 36 o 1.291000       1.924000      ?             ?      
1 1 1 2  52 37 o -0.5923000     1.916000      ?             ?      
1 1 1 2  52 38 o 2.325000       1.961000      ?             ?      
1 1 1 2  52 39 o 4.736000       2.385000      ?             ?      
1 1 1 2  52 40 o 0.3195000      2.747000      ?             ?      
1 1 1 2  52 41 o 2.326000       3.037000      ?             ?      
1 1 1 2  52 42 o -0.7736000     1.990000      ?             ?      
1 1 1 2  52 43 o 1.369000       2.690000      ?             ?      
1 1 1 2  52 44 o 0.3580000      2.754000      ?             ?      
1 1 1 2  52 45 o -0.9501000     2.732000      ?             ?      
1 1 1 2  52 46 o -0.6380000     2.796000      ?             ?      
1 1 1 2  52 47 o 0.1675000      2.797000      ?             ?      
1 1 1 2  52 48 o -1.708000      2.824000      ?             ?      
1 1 1 2  52 49 o -1.030000      2.963000      ?             ?      
1 1 1 2  53 0  o -1.976000      1.310000      127.0536      180.0  
1 1 1 2  53 1  o 1.668000       0.9592000     109.3787      -88.4  
1 1 1 2  53 2  o 7.755000       0.9816000     179.7108      -14.2  
1 1 1 2  53 3  o 1.709000       0.9588000     43.95522      10.8   
1 1 1 2  53 4  o 0.2647000      1.303000      14.31012      -113.9 
1 1 1 2  53 5  o 2.135000       1.221000      140.0413      -149.7 
1 1 1 2  53 6  o 3.481000       1.006000      133.7315      -133.3 
1 1 1 2  53 7  o 1.085000       0.9529000     79.94475      -160.9 
1 1 1 2  53 8  o 5.696000       0.8303000     119.6223      -16.5  
1 1 1 2  53 9  o 4.472000       0.7479000     132.0792      101.8  
1 1 1 2  53 10 o -1.219000      0.6674000     61.29971      -76.3  
1 1 1 2  53 11 o 0.8575000      0.6647000     108.2195      -95.8  
1 1 1 2  53 12 o 1.999000       1.657000      58.71463      44.2   
1 1 1 2  53 13 o 7.426000       1.799000      ?             ?      
1 1 1 2  53 14 o 4.798000       1.734000      ?             ?      
1 1 1 2  53 15 o 1.484000       1.723000      ?             ?      
1 1 1 2  53 16 o -1.085000      1.723000      ?             ?      
1 1 1 2  53 17 o 1.103000       1.728000      ?             ?      
1 1 1 2  53 18 o 3.097000       1.754000      ?             ?      
1 1 1 2  53 19 o -1.502000      1.745000      ?             ?      
1 1 1 2  53 20 o -0.8398000     2.474000      ?             ?      
1 1 1 2  53 21 o -0.6095000     1.774000      ?             ?      
1 1 1 2  53 22 o 1.719000       1.791000      ?             ?      
1 1 1 2  53 23 o 2.865000       1.784000      ?             ?      
1 1 1 2  53 24 o 0.2000000      2.139000      ?             ?      
1 1 1 2  53 26 o 1.084000       2.756000      ?             ?      
1 1 1 2  53 27 o -1.373000      1.815000      ?             ?      
1 1 1 2  53 28 o 0.8131000      1.809000      ?             ?      
1 1 1 2  53 29 o 2.769000       1.833000      ?             ?      
1 1 1 2  53 30 o 1.997000       1.876000      ?             ?      
1 1 1 2  53 31 o 4.318000       1.933000      ?             ?      
1 1 1 2  53 32 o -1.198000      1.884000      ?             ?      
1 1 1 2  53 33 o 1.544000       1.860000      ?             ?      
1 1 1 2  53 34 o -1.351000      1.833000      ?             ?      
1 1 1 2  53 35 o 3.254000       1.905000      ?             ?      
1 1 1 2  53 36 o 0.3205000      1.888000      ?             ?      
1 1 1 2  53 37 o 1.040000       1.931000      ?             ?      
1 1 1 2  53 38 o -1.401000      1.938000      ?             ?      
1 1 1 2  53 39 o 1.679000       2.601000      ?             ?      
1 1 1 2  53 41 o 1.460000       2.822000      ?             ?      
1 1 1 2  53 42 o 2.262000       2.708000      ?             ?      
1 1 1 2  53 44 o -0.8665000     3.925000      ?             ?      
1 1 1 2  53 45 o 1.748000       2.790000      ?             ?      
1 1 1 2  53 46 o -1.400000      2.803000      ?             ?      
1 1 1 2  53 47 o 6.245000       2.851000      ?             ?      
1 1 1 2  54 0  o 3.517000       1.321000      149.4078      180.0  
1 1 1 2  54 1  o -1.153000      0.9336000     20.51540      118.5  
1 1 1 2  54 2  o 5.099000       0.9599000     113.7898      145.5  
1 1 1 2  54 3  o 2.478000       0.9290000     90.65361      -18.6  
1 1 1 2  54 4  o 1.029000       1.090000      ?             ?      
1 1 1 2  54 5  o 1.629000       1.300000      ?             ?      
1 1 1 2  54 6  o 0.4867000      0.9551000     ?             ?      
1 1 1 2  54 7  o 2.912000       0.8431000     ?             ?      
1 1 1 2  54 8  o -1.261000      0.8742000     ?             ?      
1 1 1 2  54 9  o -0.5644000     0.7028000     ?             ?      
1 1 1 2  54 10 o 0.8146000      0.6102000     ?             ?      
1 1 1 2  54 11 o 0.7188000      1.792000      ?             ?      
1 1 1 2  54 12 o -1.537000      1.541000      ?             ?      
1 1 1 2  54 13 o 0.8832000      2.159000      ?             ?      
1 1 1 2  54 14 o 2.176000       2.218000      ?             ?      
1 1 1 2  54 15 o 3.708000       2.042000      ?             ?      
1 1 1 2  54 16 o 0.6366000E-01  1.697000      ?             ?      
1 1 1 2  54 17 o 0.6726000      1.702000      ?             ?      
1 1 1 2  54 18 o 2.936000       1.738000      ?             ?      
1 1 1 2  54 19 o 0.2868000      1.743000      ?             ?      
1 1 1 2  54 20 o 1.876000       1.771000      ?             ?      
1 1 1 2  54 21 o 1.176000       1.785000      ?             ?      
1 1 1 2  54 22 o 0.6131000      1.769000      ?             ?      
1 1 1 2  54 23 o 3.137000       1.803000      ?             ?      
1 1 1 2  54 24 o -0.1490000     2.388000      ?             ?      
1 1 1 2  54 25 o 4.335000       4.001000      ?             ?      
1 1 1 2  54 26 o 1.487000       1.817000      ?             ?      
1 1 1 2  54 27 o 4.816000       1.827000      ?             ?      
1 1 1 2  54 28 o -0.3919000E-02 1.792000      ?             ?      
1 1 1 2  54 29 o 0.1519000E-01  1.843000      ?             ?      
1 1 1 2  54 30 o -1.894000      1.826000      ?             ?      
1 1 1 2  54 31 o 1.311000       1.852000      ?             ?      
1 1 1 2  54 32 o -1.251000      1.843000      ?             ?      
1 1 1 2  54 33 o -1.743000      1.859000      ?             ?      
1 1 1 2  54 34 o 4.902000       1.911000      ?             ?      
1 1 1 2  54 35 o -1.164000      1.892000      ?             ?      
1 1 1 2  54 36 o 2.631000       1.940000      ?             ?      
1 1 1 2  54 37 o -2.684000      1.921000      ?             ?      
1 1 1 2  54 38 o -3.813000      2.270000      ?             ?      
1 1 1 2  54 39 o 2.299000       3.891000      ?             ?      
1 1 1 2  54 41 o 2.700000       2.666000      ?             ?      
1 1 1 2  54 42 o -0.5652000     2.670000      ?             ?      
1 1 1 2  54 43 o -2.454000      2.705000      ?             ?      
1 1 1 2  54 44 o -2.944000      2.753000      ?             ?      
1 1 1 2  54 45 o -3.856000      2.768000      ?             ?      
1 1 1 2  54 46 o -1.715000      2.746000      ?             ?      
1 1 1 2  55 0  o -0.5019000     1.279000      ?             ?      
1 1 1 2  55 1  o 2.426000       0.9055000     ?             ?      
1 1 1 2  55 2  o 5.484000       0.9385000     ?             ?      
1 1 1 2  55 3  o 2.754000       0.9277000     ?             ?      
1 1 1 2  55 4  o 12.15000       1.196000      ?             ?      
1 1 1 2  55 5  o -0.2311000     1.288000      ?             ?      
1 1 1 2  55 6  o -0.8985000     0.9180000     ?             ?      
1 1 1 2  55 7  o 5.579000       0.8404000     ?             ?      
1 1 1 2  55 8  o 5.341000       1.062000      ?             ?      
1 1 1 2  55 9  o 0.5611000      0.6963000     ?             ?      
1 1 1 2  55 10 o -0.2427000     0.5615000     ?             ?      
1 1 1 2  55 11 o 0.4999000      1.279000      ?             ?      
1 1 1 2  55 12 o -0.9570000     2.001000      ?             ?      
1 1 1 2  55 13 o 0.9995000      2.403000      ?             ?      
1 1 1 2  55 14 o 1.162000       2.454000      ?             ?      
1 1 1 2  55 15 o 0.2501000      2.139000      ?             ?      
1 1 1 2  55 16 o 0.9617000      1.960000      ?             ?      
1 1 1 2  55 17 o 6.878000       2.281000      ?             ?      
1 1 1 2  55 18 o -6.241000      2.278000      ?             ?      
1 1 1 2  55 19 o 0.2068000      2.035000      ?             ?      
1 1 1 2  55 20 o -0.2603000     1.756000      ?             ?      
1 1 1 2  55 21 o -3.091000      1.741000      ?             ?      
1 1 1 2  55 22 o 3.383000       1.775000      ?             ?      
1 1 1 2  55 23 o -2.463000      2.071000      ?             ?      
1 1 1 2  55 25 o 5.065000       2.813000      ?             ?      
1 1 1 2  55 26 o 0.9298000      1.811000      ?             ?      
1 1 1 2  55 27 o 1.065000       1.804000      ?             ?      
1 1 1 2  55 28 o -0.1325000     1.790000      ?             ?      
1 1 1 2  55 29 o 3.784000       1.834000      ?             ?      
1 1 1 2  55 30 o 0.8389000      1.852000      ?             ?      
1 1 1 2  55 31 o 2.303000       1.840000      ?             ?      
1 1 1 2  55 32 o 5.219000       1.897000      ?             ?      
1 1 1 2  55 33 o 1.037000       1.879000      ?             ?      
1 1 1 2  55 34 o 3.587000       1.916000      ?             ?      
1 1 1 2  55 35 o -0.6006000E-02 1.909000      ?             ?      
1 1 1 2  55 36 o 4.699000       1.960000      ?             ?      
1 1 1 2  55 37 o 5.972000       2.377000      ?             ?      
1 1 1 2  55 38 o -2.769000      2.603000      ?             ?      
1 1 1 2  55 40 < 0.000000       -1.000000     ?             ?      
1 1 1 2  55 41 o -0.7000000     2.628000      ?             ?      
1 1 1 2  55 42 o 4.859000       2.802000      ?             ?      
1 1 1 2  55 43 o -0.2270000     2.653000      ?             ?      
1 1 1 2  55 44 o 0.2785000      2.707000      ?             ?      
1 1 1 2  56 0  o 3.434000       1.268000      ?             ?      
1 1 1 2  56 1  o 0.5139000      0.8876000     ?             ?      
1 1 1 2  56 2  o 0.4733000      0.8922000     ?             ?      
1 1 1 2  56 3  o 2.717000       0.9059000     ?             ?      
1 1 1 2  56 4  o 4.643000       1.093000      ?             ?      
1 1 1 2  56 5  o -2.182000      1.231000      ?             ?      
1 1 1 2  56 6  o 0.7006000      0.8958000     ?             ?      
1 1 1 2  56 7  o 2.660000       0.8171000     ?             ?      
1 1 1 2  56 8  o 0.8207000      0.7951000     ?             ?      
1 1 1 2  56 9  o -0.6793000     0.6619000     ?             ?      
1 1 1 2  56 10 o 2.258000       0.5629000     ?             ?      
1 1 1 2  56 11 o 1.788000       1.276000      ?             ?      
1 1 1 2  56 12 o 0.8784000      1.181000      ?             ?      
1 1 1 2  56 13 o 1.229000       1.609000      ?             ?      
1 1 1 2  56 14 o 4.110000       1.655000      ?             ?      
1 1 1 2  56 15 o 4.078000       1.659000      ?             ?      
1 1 1 2  56 16 o 2.565000       2.093000      ?             ?      
1 1 1 2  56 17 o 0.9235000      2.461000      ?             ?      
1 1 1 2  56 18 o 0.3292000E-01  2.186000      ?             ?      
1 1 1 2  56 19 o 0.2939000      2.263000      ?             ?      
1 1 1 2  56 20 o 0.1682000E-01  2.094000      ?             ?      
1 1 1 2  56 21 f 5.638000       2.350000      ?             ?      
1 1 1 2  56 22 o 3.640000       2.394000      ?             ?      
1 1 1 2  56 23 o -0.4795000     2.408000      ?             ?      
1 1 1 2  56 24 o 5.726000       4.015000      ?             ?      
1 1 1 2  56 25 o -3.860000      2.305000      ?             ?      
1 1 1 2  56 26 o -0.2846000     1.786000      ?             ?      
1 1 1 2  56 27 o 1.604000       1.807000      ?             ?      
1 1 1 2  56 28 o 0.3749000      1.817000      ?             ?      
1 1 1 2  56 29 o 2.165000       1.842000      ?             ?      
1 1 1 2  56 30 o 3.921000       1.885000      ?             ?      
1 1 1 2  56 31 o -1.735000      1.835000      ?             ?      
1 1 1 2  56 32 o -0.5984000     1.872000      ?             ?      
1 1 1 2  56 33 o 1.375000       1.903000      ?             ?      
1 1 1 2  56 34 o 2.369000       1.886000      ?             ?      
1 1 1 2  56 35 o 1.584000       2.285000      ?             ?      
1 1 1 2  56 36 o -0.8416000     2.259000      ?             ?      
1 1 1 2  56 37 o -2.062000      2.546000      ?             ?      
1 1 1 2  56 38 o -4.297000      4.075000      ?             ?      
1 1 1 2  56 40 o 3.418000       2.721000      ?             ?      
1 1 1 2  56 41 o -0.3965000     2.689000      ?             ?      
1 1 1 2  56 42 o 5.869000       2.762000      ?             ?      
1 1 1 2  57 0  o -0.6866000     1.237000      ?             ?      
1 1 1 2  57 1  o 0.7103000      0.8683000     ?             ?      
1 1 1 2  57 2  o 0.8465000      0.8660000     ?             ?      
1 1 1 2  57 3  o -0.1413000     0.8610000     ?             ?      
1 1 1 2  57 4  o -0.4501000     0.9578000     ?             ?      
1 1 1 2  57 5  o 2.460000       1.269000      ?             ?      
1 1 1 2  57 6  o 2.302000       0.9054000     ?             ?      
1 1 1 2  57 7  o 4.313000       0.8398000     ?             ?      
1 1 1 2  57 8  o 0.5102000      0.7644000     ?             ?      
1 1 1 2  57 9  o 2.476000       0.6523000     ?             ?      
1 1 1 2  57 10 o 0.4368000      0.5465000     ?             ?      
1 1 1 2  57 11 o 0.2290000      1.217000      ?             ?      
1 1 1 2  57 12 o 0.5495000      1.161000      ?             ?      
1 1 1 2  57 13 o -0.9578000     1.566000      ?             ?      
1 1 1 2  57 14 o -0.9971000     1.591000      ?             ?      
1 1 1 2  57 15 o 1.640000       1.585000      ?             ?      
1 1 1 2  57 16 o -0.4727000     1.581000      ?             ?      
1 1 1 2  57 17 f 2.005000       1.597000      ?             ?      
1 1 1 2  57 18 o -0.8417000     1.651000      ?             ?      
1 1 1 2  57 19 o 2.867000       1.718000      ?             ?      
1 1 1 2  57 20 o 1.196000       2.210000      ?             ?      
1 1 1 2  57 21 o 0.7880000      2.643000      ?             ?      
1 1 1 2  57 22 o -2.072000      2.441000      ?             ?      
1 1 1 2  57 24 o -6.672000      3.815000      ?             ?      
1 1 1 2  57 25 o -1.035000      2.376000      ?             ?      
1 1 1 2  57 26 o -1.754000      2.386000      ?             ?      
1 1 1 2  57 27 o 4.280000       2.476000      ?             ?      
1 1 1 2  57 28 o 1.135000       1.895000      ?             ?      
1 1 1 2  57 29 o 1.688000       1.885000      ?             ?      
1 1 1 2  57 30 o 0.7818000      1.889000      ?             ?      
1 1 1 2  57 31 o 0.5111000      1.883000      ?             ?      
1 1 1 2  57 32 o -0.4925000     1.883000      ?             ?      
1 1 1 2  57 33 o 0.9666000      2.259000      ?             ?      
1 1 1 2  57 34 o 1.792000       2.628000      ?             ?      
1 1 1 2  57 35 o -1.399000      2.271000      ?             ?      
1 1 1 2  57 36 o 4.110000       2.339000      ?             ?      
1 1 1 2  57 37 o 2.007000       2.641000      ?             ?      
1 1 1 2  57 39 o -2.423000      2.437000      ?             ?      
1 1 1 2  57 40 o -3.142000      3.947000      ?             ?      
1 1 1 2  57 41 o -0.3290000     2.707000      ?             ?      
1 1 1 2  58 0  o -1.676000      1.211000      ?             ?      
1 1 1 2  58 1  o -1.463000      0.8589000     ?             ?      
1 1 1 2  58 2  o 2.171000       0.8565000     ?             ?      
1 1 1 2  58 3  o 1.689000       0.8512000     ?             ?      
1 1 1 2  58 4  o 2.430000       0.9517000     ?             ?      
1 1 1 2  58 5  o 0.9259000      1.443000      ?             ?      
1 1 1 2  58 6  o 0.5672000      0.9866000     ?             ?      
1 1 1 2  58 7  o 2.148000       0.7986000     ?             ?      
1 1 1 2  58 8  o 2.485000       0.7878000     ?             ?      
1 1 1 2  58 9  o -0.2791000E-01 0.5907000     ?             ?      
1 1 1 2  58 10 o 0.1967000      0.5149000     ?             ?      
1 1 1 2  58 11 o 1.714000       1.233000      ?             ?      
1 1 1 2  58 12 o 2.429000       1.525000      ?             ?      
1 1 1 2  58 13 o 1.867000       1.554000      ?             ?      
1 1 1 2  58 14 o 0.4398000      1.553000      ?             ?      
1 1 1 2  58 15 o -0.2621000     1.558000      ?             ?      
1 1 1 2  58 16 o 0.7635000      1.604000      ?             ?      
1 1 1 2  58 17 o -3.046000      1.602000      ?             ?      
1 1 1 2  58 18 o -1.055000      1.654000      ?             ?      
1 1 1 2  58 19 o 2.358000       1.692000      ?             ?      
1 1 1 2  58 20 o 0.6991000      1.688000      ?             ?      
1 1 1 2  58 21 o 9.820000       1.832000      ?             ?      
1 1 1 2  58 22 o -1.422000      2.359000      ?             ?      
1 1 1 2  58 23 o 0.6486000      3.929000      ?             ?      
1 1 1 2  58 24 f -1.082000      2.692000      ?             ?      
1 1 1 2  58 25 o -4.067000      2.691000      ?             ?      
1 1 1 2  58 26 o 4.911000       2.471000      ?             ?      
1 1 1 2  58 27 o -5.984000      2.526000      ?             ?      
1 1 1 2  58 28 o 3.943000       2.281000      ?             ?      
1 1 1 2  58 29 o 0.6815000      2.485000      ?             ?      
1 1 1 2  58 30 o 4.594000       2.559000      ?             ?      
1 1 1 2  58 31 o -0.3785000     2.537000      ?             ?      
1 1 1 2  58 32 o 1.780000       2.577000      ?             ?      
1 1 1 2  58 33 o 4.828000       2.321000      ?             ?      
1 1 1 2  58 34 o 4.264000       2.320000      ?             ?      
1 1 1 2  58 35 o 2.390000       2.323000      ?             ?      
1 1 1 2  58 36 o -1.641000      2.634000      ?             ?      
1 1 1 2  58 38 o 2.630000       4.321000      ?             ?      
1 1 1 2  58 39 o -0.6805000     2.382000      ?             ?      
1 1 1 2  59 0  o 2.725000       1.230000      ?             ?      
1 1 1 2  59 1  o 7.275000       0.9063000     ?             ?      
1 1 1 2  59 2  o 3.274000       0.8616000     ?             ?      
1 1 1 2  59 3  o 0.3670000E-01  0.8301000     ?             ?      
1 1 1 2  59 4  o 0.3636000      0.9302000     ?             ?      
1 1 1 2  59 5  o 4.555000       1.285000      ?             ?      
1 1 1 2  59 6  o 2.513000       0.9687000     ?             ?      
1 1 1 2  59 7  o 1.749000       0.9111000     ?             ?      
1 1 1 2  59 8  o 0.4934000      0.6852000     ?             ?      
1 1 1 2  59 9  o 0.8117000E-01  0.5710000     ?             ?      
1 1 1 2  59 10 o 0.3267000E-01  0.4871000     ?             ?      
1 1 1 2  59 11 f -1.596000      1.475000      ?             ?      
1 1 1 2  59 12 o 0.9017000      1.517000      ?             ?      
1 1 1 2  59 13 o 0.4083000      1.511000      ?             ?      
1 1 1 2  59 14 o 2.759000       1.550000      ?             ?      
1 1 1 2  59 15 o 3.778000       1.605000      ?             ?      
1 1 1 2  59 16 o 0.4066000      1.598000      ?             ?      
1 1 1 2  59 17 o 0.1349000      1.627000      ?             ?      
1 1 1 2  59 18 o -0.5803000     1.641000      ?             ?      
1 1 1 2  59 19 o 0.4122000      1.680000      ?             ?      
1 1 1 2  59 20 o 1.124000       1.681000      ?             ?      
1 1 1 2  59 21 o -0.8282000     1.990000      ?             ?      
1 1 1 2  59 22 o -1.387000      3.298000      ?             ?      
1 1 1 2  59 23 o -1.057000      2.638000      ?             ?      
1 1 1 2  59 24 o 0.7691000      1.774000      ?             ?      
1 1 1 2  59 25 o 1.088000       1.809000      ?             ?      
1 1 1 2  59 26 o 1.464000       1.860000      ?             ?      
1 1 1 2  59 27 o 2.752000       2.299000      ?             ?      
1 1 1 2  59 28 o 4.550000       2.728000      ?             ?      
1 1 1 2  59 29 o 2.480000       3.974000      ?             ?      
1 1 1 2  59 30 < 0.000000       -1.000000     ?             ?      
1 1 1 2  59 31 o -0.7826000     2.710000      ?             ?      
1 1 1 2  59 32 o 2.493000       2.363000      ?             ?      
1 1 1 2  59 33 o 0.6767000      2.615000      ?             ?      
1 1 1 2  59 34 o -4.262000      3.770000      ?             ?      
1 1 1 2  59 35 o 5.322000       2.717000      ?             ?      
1 1 1 2  59 36 o 1.820000       2.700000      ?             ?      
1 1 1 2  60 0  o 5.610000       1.253000      ?             ?      
1 1 1 2  60 1  o -0.3556000     0.8408000     ?             ?      
1 1 1 2  60 2  o 2.086000       0.8530000     ?             ?      
1 1 1 2  60 3  o -0.4417000     0.8132000     ?             ?      
1 1 1 2  60 4  o -2.096000      0.9117000     ?             ?      
1 1 1 2  60 5  o 0.2180000      1.209000      ?             ?      
1 1 1 2  60 6  o 2.435000       1.002000      ?             ?      
1 1 1 2  60 7  o 0.1114000      0.8395000     ?             ?      
1 1 1 2  60 8  o -0.3086000     0.6646000     ?             ?      
1 1 1 2  60 9  o 0.8879000      0.6023000     ?             ?      
1 1 1 2  60 10 o 0.4085000      0.4748000     ?             ?      
1 1 1 2  60 11 o 4.844000       1.514000      ?             ?      
1 1 1 2  60 12 o -0.5304000     1.489000      ?             ?      
1 1 1 2  60 13 o -0.4920000     1.507000      ?             ?      
1 1 1 2  60 14 o -2.136000      1.499000      ?             ?      
1 1 1 2  60 15 o -0.3605000E-01 1.553000      ?             ?      
1 1 1 2  60 16 o 2.622000       1.604000      ?             ?      
1 1 1 2  60 17 o 1.910000       1.651000      ?             ?      
1 1 1 2  60 18 o 2.097000       1.666000      ?             ?      
1 1 1 2  60 19 o -0.1838000     1.664000      ?             ?      
1 1 1 2  60 20 o 0.8242000      1.686000      ?             ?      
1 1 1 2  60 21 o 0.7524000      2.221000      ?             ?      
1 1 1 2  60 23 o 1.521000       2.461000      ?             ?      
1 1 1 2  60 24 o 1.606000       2.060000      ?             ?      
1 1 1 2  60 25 o 0.9317000      2.071000      ?             ?      
1 1 1 2  60 26 o -1.470000      2.155000      ?             ?      
1 1 1 2  60 27 o 0.9725000      2.206000      ?             ?      
1 1 1 2  60 28 o -2.083000      2.205000      ?             ?      
1 1 1 2  60 29 o -1.479000      2.256000      ?             ?      
1 1 1 2  60 30 o -0.6533000     2.312000      ?             ?      
1 1 1 2  60 31 o 1.099000       3.808000      ?             ?      
1 1 1 2  60 32 o -3.054000      2.804000      ?             ?      
1 1 1 2  60 33 o 1.681000       4.072000      ?             ?      
1 1 1 2  60 34 o 2.990000       4.151000      ?             ?      
1 1 1 2  61 0  o -0.8917000     1.194000      ?             ?      
1 1 1 2  61 1  o -0.9154000     0.8336000     ?             ?      
1 1 1 2  61 2  o 1.263000       0.8355000     ?             ?      
1 1 1 2  61 3  o 0.9744000      0.8162000     ?             ?      
1 1 1 2  61 4  o 0.1845000      0.8075000     ?             ?      
1 1 1 2  61 5  o 1.386000       0.9867000     ?             ?      
1 1 1 2  61 6  o -0.4244000     0.9800000     ?             ?      
1 1 1 2  61 7  o 0.6655000      0.9090000     ?             ?      
1 1 1 2  61 8  o 0.6917000E-01  0.6318000     ?             ?      
1 1 1 2  61 9  o 1.210000       0.5862000     ?             ?      
1 1 1 2  61 10 o 0.6993000      0.4672000     ?             ?      
1 1 1 2  61 11 o 3.481000       1.500000      ?             ?      
1 1 1 2  61 12 o 1.200000       1.511000      ?             ?      
1 1 1 2  61 13 o 1.775000       1.525000      ?             ?      
1 1 1 2  61 14 o 2.884000       1.522000      ?             ?      
1 1 1 2  61 15 o -1.208000      1.519000      ?             ?      
1 1 1 2  61 16 o 2.679000       1.599000      ?             ?      
1 1 1 2  61 17 o -0.4254000     1.618000      ?             ?      
1 1 1 2  61 18 o 3.475000       1.673000      ?             ?      
1 1 1 2  61 19 o 0.4188000      1.975000      ?             ?      
1 1 1 2  61 20 o 2.147000       1.981000      ?             ?      
1 1 1 2  61 21 o -6.452000      3.233000      ?             ?      
1 1 1 2  61 22 o 0.3138000      3.818000      ?             ?      
1 1 1 2  61 23 o 1.159000       2.039000      ?             ?      
1 1 1 2  61 24 o 1.081000       2.034000      ?             ?      
1 1 1 2  61 25 o 1.207000       2.068000      ?             ?      
1 1 1 2  61 26 o 1.948000       2.115000      ?             ?      
1 1 1 2  61 27 o 2.066000       2.194000      ?             ?      
1 1 1 2  61 28 o 0.1276000      2.146000      ?             ?      
1 1 1 2  61 29 o 2.633000       2.265000      ?             ?      
1 1 1 2  61 30 o 0.6452000      2.276000      ?             ?      
1 1 1 2  61 31 o 1.713000       2.361000      ?             ?      
1 1 1 2  61 32 o -3.577000      3.857000      ?             ?      
1 1 1 2  62 0  o 0.8467000      1.179000      ?             ?      
1 1 1 2  62 1  o 4.585000       0.8648000     ?             ?      
1 1 1 2  62 2  o 0.1119000      0.8265000     ?             ?      
1 1 1 2  62 3  o -0.6291000     0.8178000     ?             ?      
1 1 1 2  62 4  o 1.199000       0.7951000     ?             ?      
1 1 1 2  62 5  o 1.047000       0.9658000     ?             ?      
1 1 1 2  62 6  o -0.7850000     1.109000      ?             ?      
1 1 1 2  62 7  o 1.490000       0.7622000     ?             ?      
1 1 1 2  62 8  o 0.9361000E-01  0.6371000     ?             ?      
1 1 1 2  62 9  o 0.6746000      0.5746000     ?             ?      
1 1 1 2  62 10 o 0.1604000      1.157000      ?             ?      
1 1 1 2  62 11 o 0.9349000      1.481000      ?             ?      
1 1 1 2  62 12 o 0.6319000      1.509000      ?             ?      
1 1 1 2  62 13 o 3.604000       1.558000      ?             ?      
1 1 1 2  62 14 o -1.471000      1.785000      ?             ?      
1 1 1 2  62 15 o 0.7551000      1.818000      ?             ?      
1 1 1 2  62 16 o 0.6481000      1.851000      ?             ?      
1 1 1 2  62 17 o 0.4920000E-01  1.898000      ?             ?      
1 1 1 2  62 18 o 5.144000       2.020000      ?             ?      
1 1 1 2  62 19 o 2.303000       1.975000      ?             ?      
1 1 1 2  62 20 o 1.297000       2.237000      ?             ?      
1 1 1 2  62 22 o 2.044000       2.481000      ?             ?      
1 1 1 2  62 23 o 1.854000       2.066000      ?             ?      
1 1 1 2  62 24 o -0.6932000     2.051000      ?             ?      
1 1 1 2  62 25 o 2.389000       2.091000      ?             ?      
1 1 1 2  62 26 o 1.690000       3.395000      ?             ?      
1 1 1 2  62 27 o 1.526000       3.346000      ?             ?      
1 1 1 2  62 28 o -0.5134000     2.105000      ?             ?      
1 1 1 2  62 29 o 1.442000       2.207000      ?             ?      
1 1 1 2  62 30 o 0.4983000      2.637000      ?             ?      
1 1 1 2  63 0  o 2.149000       1.200000      ?             ?      
1 1 1 2  63 1  o 2.178000       0.8561000     ?             ?      
1 1 1 2  63 2  o -0.9051000     0.8334000     ?             ?      
1 1 1 2  63 3  o -0.6686000E-01 0.8262000     ?             ?      
1 1 1 2  63 4  o 2.366000       0.8192000     ?             ?      
1 1 1 2  63 5  o 2.420000       1.018000      ?             ?      
1 1 1 2  63 6  o -0.4903000     1.463000      ?             ?      
1 1 1 2  63 7  o 0.1752000      0.7384000     ?             ?      
1 1 1 2  63 8  o 0.6271000E-02  0.6034000     ?             ?      
1 1 1 2  63 9  o 0.6987000      0.5340000     ?             ?      
1 1 1 2  63 10 o -1.170000      1.480000      ?             ?      
1 1 1 2  63 11 o -0.4467000     1.500000      ?             ?      
1 1 1 2  63 12 o 1.176000       1.521000      ?             ?      
1 1 1 2  63 13 o -0.7254000     1.553000      ?             ?      
1 1 1 2  63 14 o 3.855000       1.598000      ?             ?      
1 1 1 2  63 15 o 2.589000       1.858000      ?             ?      
1 1 1 2  63 16 o -1.125000      1.886000      ?             ?      
1 1 1 2  63 17 o 0.9352000      1.909000      ?             ?      
1 1 1 2  63 18 o 0.9642000      2.004000      ?             ?      
1 1 1 2  63 19 o 4.880000       2.042000      ?             ?      
1 1 1 2  63 20 o -2.524000      3.285000      ?             ?      
1 1 1 2  63 22 o 1.340000       2.102000      ?             ?      
1 1 1 2  63 23 o 2.852000       2.066000      ?             ?      
1 1 1 2  63 24 o -3.718000      2.062000      ?             ?      
1 1 1 2  63 25 o -1.443000      2.102000      ?             ?      
1 1 1 2  63 26 o 0.9468000      2.141000      ?             ?      
1 1 1 2  63 27 o -0.6866000     2.121000      ?             ?      
1 1 1 2  64 0  o 0.7702000      1.192000      ?             ?      
1 1 1 2  64 1  o -0.7439000     0.8464000     ?             ?      
1 1 1 2  64 2  o 1.294000       0.8520000     ?             ?      
1 1 1 2  64 3  o 4.056000       0.8727000     ?             ?      
1 1 1 2  64 4  o 0.2986000      0.7948000     ?             ?      
1 1 1 2  64 5  o -1.991000      0.9899000     ?             ?      
1 1 1 2  64 6  o 0.2297000      1.482000      ?             ?      
1 1 1 2  64 7  o 1.206000       0.6899000     ?             ?      
1 1 1 2  64 8  o -0.1446000E-01 0.5911000     ?             ?      
1 1 1 2  64 9  o 0.9146000      0.5584000     ?             ?      
1 1 1 2  64 10 o -0.3678000     1.514000      ?             ?      
1 1 1 2  64 11 o 0.4056000      1.159000      ?             ?      
1 1 1 2  64 12 o 1.699000       1.539000      ?             ?      
1 1 1 2  64 13 o -0.4157000     1.568000      ?             ?      
1 1 1 2  64 14 o 0.6107000      1.587000      ?             ?      
1 1 1 2  64 15 o -2.441000      2.301000      ?             ?      
1 1 1 2  64 16 o 1.274000       1.914000      ?             ?      
1 1 1 2  64 17 o 1.822000       1.981000      ?             ?      
1 1 1 2  64 18 o 2.614000       3.249000      ?             ?      
1 1 1 2  64 19 o -2.672000      2.217000      ?             ?      
1 1 1 2  64 21 o 3.062000       2.509000      ?             ?      
1 1 1 2  64 22 o 2.874000       2.089000      ?             ?      
1 1 1 2  64 23 o -2.842000      3.336000      ?             ?      
1 1 1 2  65 0  o 1.646000       1.192000      ?             ?      
1 1 1 2  65 1  o 0.3774000      0.8473000     ?             ?      
1 1 1 2  65 2  o 1.628000       0.8616000     ?             ?      
1 1 1 2  65 3  o 0.4277000      0.8337000     ?             ?      
1 1 1 2  65 4  o -0.3675000     0.7977000     ?             ?      
1 1 1 2  65 5  o -1.497000      1.019000      ?             ?      
1 1 1 2  65 6  o 1.898000       1.588000      ?             ?      
1 1 1 2  65 7  o 0.4459000      0.6707000     ?             ?      
1 1 1 2  65 8  o 0.1627000      0.6371000     ?             ?      
1 1 1 2  65 9  o 1.831000       0.5434000     ?             ?      
1 1 1 2  65 10 o -1.042000      1.526000      ?             ?      
1 1 1 2  65 11 o -0.1542000     1.554000      ?             ?      
1 1 1 2  65 12 o 1.043000       1.574000      ?             ?      
1 1 1 2  65 13 o 4.577000       1.602000      ?             ?      
1 1 1 2  65 14 o 1.705000       1.608000      ?             ?      
1 1 1 2  65 15 o -1.318000      1.631000      ?             ?      
1 1 1 2  65 16 o 0.4717000      1.655000      ?             ?      
1 1 1 2  65 17 o 7.563000       2.380000      ?             ?      
1 1 1 2  65 18 o 2.312000       1.997000      ?             ?      
1 1 1 2  65 19 o -4.137000      3.149000      ?             ?      
1 1 1 2  66 0  o -1.134000      1.210000      ?             ?      
1 1 1 2  66 1  o 1.081000       0.8518000     ?             ?      
1 1 1 2  66 2  o -0.6026000     0.8484000     ?             ?      
1 1 1 2  66 3  o 0.5969000      0.8324000     ?             ?      
1 1 1 2  66 4  o 0.7971000      0.8028000     ?             ?      
1 1 1 2  66 5  o -0.5473000     1.343000      ?             ?      
1 1 1 2  66 6  o -1.198000      1.125000      ?             ?      
1 1 1 2  66 7  o 1.091000       0.6767000     ?             ?      
1 1 1 2  66 8  o 0.4415000      0.6329000     ?             ?      
1 1 1 2  66 9  o -0.6909000     0.5164000     ?             ?      
1 1 1 2  66 10 o 0.6046000      2.150000      ?             ?      
1 1 1 2  66 11 o 0.5092000E-01  1.563000      ?             ?      
1 1 1 2  66 12 o 2.066000       1.596000      ?             ?      
1 1 1 2  66 13 o 2.432000       2.342000      ?             ?      
1 1 1 2  66 14 o 3.343000       1.659000      ?             ?      
1 1 1 2  66 15 o 0.6822000      2.407000      ?             ?      
1 1 1 2  67 0  o 2.093000       1.224000      ?             ?      
1 1 1 2  67 1  o 0.9996000      0.8487000     ?             ?      
1 1 1 2  67 2  o -1.465000      1.187000      ?             ?      
1 1 1 2  67 3  o -0.2699000     0.8313000     ?             ?      
1 1 1 2  67 4  o 0.2539000      0.8371000     ?             ?      
1 1 1 2  67 5  o 1.222000       1.352000      ?             ?      
1 1 1 2  67 6  o 1.325000       1.116000      ?             ?      
1 1 1 2  67 7  o 0.6692000      0.6788000     ?             ?      
1 1 1 3  0  1  o -0.1092000     0.8664000E-01 ?             ?      
1 1 1 3  0  2  o 0.6431000      0.1118000     42.67608      -0.0   
1 1 1 3  0  3  o 0.9430000E-01  0.1231000     8.714251      90.0   
1 1 1 3  0  4  o 0.8381000      0.1659000     56.88555      -0.0   
1 1 1 3  0  5  o 0.3283000      0.2002000     52.82462      -90.0  
1 1 1 3  0  6  o -0.1542000     0.2427000     60.96848      -0.0   
1 1 1 3  0  7  o 1.333000       0.2924000     43.43677      -90.0  
1 1 1 3  0  8  o 1.139000       0.3272000     121.7799      0.0    
1 1 1 3  0  9  o 0.4499000      0.3627000     146.4088      90.0   
1 1 1 3  0  10 o 0.9158000E-01  0.3938000     83.94922      -0.0   
1 1 1 3  0  11 o 5.907000       0.5593000     240.6090      90.0   
1 1 1 3  0  12 o 16.72000       0.8307000     90.75891      -180.0 
1 1 1 3  0  13 o 1.605000       0.5040000     170.8176      -90.0  
1 1 1 3  0  14 o 5.392000       0.5783000     329.0543      -0.0   
1 1 1 3  0  15 o 3.856000       0.5884000     147.3777      -90.0  
1 1 1 3  0  16 o 10.55000       0.8288000     236.7139      -180.0 
1 1 1 3  0  17 o 1.004000       0.9170000     78.84145      90.0   
1 1 1 3  0  18 o 5.286000       1.398000      8.690794      -0.0   
1 1 1 3  0  19 o 11.33000       0.7996000     239.1206      -90.0  
1 1 1 3  0  20 o 17.66000       0.9149000     236.0933      -0.0   
1 1 1 3  0  21 o 0.4207000      0.7049000     158.7307      90.0   
1 1 1 3  0  22 o 3.951000       0.7633000     165.3176      0.0    
1 1 1 3  0  23 o 6.720000       0.8252000     408.9588      -90.0  
1 1 1 3  0  24 o 9.815000       0.8933000     88.41818      0.0    
1 1 1 3  0  25 o 13.33000       0.9940000     309.0363      -90.0  
1 1 1 3  0  26 o 15.63000       1.072000      391.3900      180.0  
1 1 1 3  0  27 o 19.92000       1.200000      423.2218      -90.0  
1 1 1 3  0  28 o 28.88000       1.432000      253.6457      0.0    
1 1 1 3  0  29 o 27.74000       1.472000      499.1522      90.0   
1 1 1 3  0  30 o 12.44000       1.278000      529.6959      -0.0   
1 1 1 3  0  31 o 60.65000       2.284000      715.8622      -90.0  
1 1 1 3  0  32 o 12.55000       1.430000      183.0299      0.0    
1 1 1 3  0  33 o 28.55000       1.733000      370.7372      90.0   
1 1 1 3  0  34 o 6.595000       2.190000      53.15979      0.0    
1 1 1 3  0  35 o 10.53000       3.566000      417.1484      -90.0  
1 1 1 3  0  36 o -0.7091000     2.208000      160.4961      0.0    
1 1 1 3  0  37 o 4.170000       1.621000      359.1457      -90.0  
1 1 1 3  0  38 o 6.981000       1.621000      404.0868      -0.0   
1 1 1 3  0  39 o 8.092000       1.593000      346.7354      90.0   
1 1 1 3  0  40 o 13.92000       1.659000      244.8869      -0.0   
1 1 1 3  0  41 o 3.515000       1.517000      98.50100      90.0   
1 1 1 3  0  42 o 42.15000       2.122000      632.2534      -180.0 
1 1 1 3  0  43 o -1.825000      1.463000      323.2144      90.0   
1 1 1 3  0  44 o 0.5566000      1.459000      102.4565      -180.0 
1 1 1 3  0  45 o 0.4557000      1.655000      168.9249      90.0   
1 1 1 3  0  46 o 8.838000       1.821000      357.8050      -180.0 
1 1 1 3  0  47 o 3.720000       1.829000      1.748122      -90.0  
1 1 1 3  0  48 o 2.875000       2.215000      301.7331      -0.0   
1 1 1 3  0  49 o 4.047000       1.811000      289.7042      -90.0  
1 1 1 3  0  50 o 2.602000       1.532000      192.6361      0.0    
1 1 1 3  0  51 o 6.755000       2.459000      184.1830      90.0   
1 1 1 3  0  52 o 9.138000       3.445000      349.7081      -0.0   
1 1 1 3  0  53 o 9.276000       1.808000      210.2342      90.0   
1 1 1 3  0  54 o 2.830000       1.743000      74.83919      -180.0 
1 1 1 3  0  55 o 10.00000       1.883000      330.2852      90.0   
1 1 1 3  0  56 o 4.204000       1.829000      134.2109      0.0    
1 1 1 3  0  57 o 2.527000       1.848000      81.13103      90.0   
1 1 1 3  0  58 o 2.452000       1.946000      174.6906      180.0  
1 1 1 3  0  59 f -1.233000      1.969000      76.87502      90.0   
1 1 1 3  0  60 o 9.429000       2.088000      284.3779      -180.0 
1 1 1 3  0  61 o 5.780000       2.061000      217.6684      90.0   
1 1 1 3  0  62 o 0.2105000      2.008000      30.79071      -180.0 
1 1 1 3  0  63 o 0.8245000      2.018000      ?             ?      
1 1 1 3  0  64 o 2.298000       1.991000      ?             ?      
1 1 1 3  0  65 o -4.435000      1.937000      ?             ?      
1 1 1 3  0  66 o -0.7334000E-01 2.714000      ?             ?      
1 1 1 3  0  67 o 2.431000       2.823000      ?             ?      
1 1 1 3  0  68 o -1.183000      1.980000      ?             ?      
1 1 1 3  0  69 o 5.565000       2.032000      ?             ?      
1 1 1 3  0  70 o -0.2720000     1.960000      ?             ?      
1 1 1 3  0  71 o 1.227000       1.974000      ?             ?      
1 1 1 3  0  72 o 2.384000       1.984000      ?             ?      
1 1 1 3  0  73 o -2.312000      1.937000      ?             ?      
1 1 1 3  0  74 o 1.106000       1.977000      ?             ?      
1 1 1 3  0  75 o 0.3290000      2.004000      ?             ?      
1 1 1 3  0  76 o 0.4314000      2.063000      ?             ?      
1 1 1 3  0  77 o 1.238000       2.083000      ?             ?      
1 1 1 3  1  0  o 0.6043000E-01  0.8498000E-01 18.81565      -90.0  
1 1 1 3  1  1  o 2.115000       0.2219000     198.5874      124.7  
1 1 1 3  1  2  o 0.9321000      0.7208000E-01 ?             ?      
1 1 1 3  1  3  o 4.858000       0.1410000     308.2075      -171.0 
1 1 1 3  1  4  o 1.971000       0.1261000     202.1659      92.6   
1 1 1 3  1  5  o 0.2476000      0.1427000     ?             ?      
1 1 1 3  1  6  o 0.5539000      0.1727000     ?             ?      
1 1 1 3  1  7  o 0.5806000      0.2021000     ?             ?      
1 1 1 3  1  8  o -0.2950000E-01 0.2289000     ?             ?      
1 1 1 3  1  9  o 1.806000       0.2612000     263.6093      -165.4 
1 1 1 3  1  10 o 20.63000       0.5826000     862.3077      78.5   
1 1 1 3  1  11 o 2.260000       0.3131000     327.9631      -153.3 
1 1 1 3  1  12 o 9.912000       0.4111000     514.4791      -92.0  
1 1 1 3  1  13 o 12.07000       0.4612000     758.9528      55.3   
1 1 1 3  1  14 o 21.10000       0.6144000     366.6843      -39.0  
1 1 1 3  1  15 o 22.62000       0.6524000     644.2098      -147.4 
1 1 1 3  1  16 o 7.595000       0.5353000     201.0687      -125.5 
1 1 1 3  1  17 o 32.99000       1.705000      457.5074      -128.2 
1 1 1 3  1  18 o 6.575000       0.9981000     365.1595      -45.1  
1 1 1 3  1  19 o 9.578000       0.6175000     226.8650      129.6  
1 1 1 3  1  20 o 2.486000       0.4881000     242.5063      102.6  
1 1 1 3  1  21 o 6.369000       0.5336000     156.2151      26.6   
1 1 1 3  1  22 o 7.180000       0.5666000     193.4101      105.3  
1 1 1 3  1  23 o 13.34000       0.6557000     465.2336      -70.7  
1 1 1 3  1  24 o 25.91000       0.9088000     430.5183      100.6  
1 1 1 3  1  25 o 28.24000       0.9691000     622.7342      -82.7  
1 1 1 3  1  26 o 15.29000       0.7594000     443.5634      101.4  
1 1 1 3  1  27 o 45.54000       1.328000      576.4053      92.1   
1 1 1 3  1  28 o 97.90000       2.357000      1141.766      -172.4 
1 1 1 3  1  29 o 8.831000       0.8256000     80.73758      -126.3 
1 1 1 3  1  30 o 4.851000       0.8378000     202.6678      -27.5  
1 1 1 3  1  31 o 33.64000       1.195000      773.4508      -104.4 
1 1 1 3  1  32 o 36.41000       1.389000      776.2134      131.3  
1 1 1 3  1  33 o 60.76000       2.219000      749.7543      -45.4  
1 1 1 3  1  34 o 40.49000       1.646000      649.2170      -5.2   
1 1 1 3  1  35 o 18.66000       2.435000      383.2733      -178.0 
1 1 1 3  1  36 o 18.84000       2.476000      565.5697      30.4   
1 1 1 3  1  37 o 21.82000       1.368000      614.8063      49.6   
1 1 1 3  1  38 o 27.88000       1.325000      604.2172      157.0  
1 1 1 3  1  39 o 12.23000       1.155000      356.6457      158.5  
1 1 1 3  1  40 o 5.252000       1.095000      202.6770      83.9   
1 1 1 3  1  41 o 2.756000       1.065000      248.0573      -71.9  
1 1 1 3  1  42 o 15.01000       1.230000      231.4027      34.5   
1 1 1 3  1  43 o 5.636000       1.211000      218.0253      38.1   
1 1 1 3  1  44 o 1.908000       1.123000      304.9041      -153.3 
1 1 1 3  1  45 o 5.999000       1.184000      276.0750      149.3  
1 1 1 3  1  46 o 2.509000       1.155000      243.7142      126.1  
1 1 1 3  1  47 o 9.061000       1.285000      374.0038      106.0  
1 1 1 3  1  48 o 8.717000       1.282000      375.8400      -13.7  
1 1 1 3  1  49 o 0.5311000      1.175000      121.2374      -31.6  
1 1 1 3  1  50 o 4.545000       1.274000      262.6155      -108.3 
1 1 1 3  1  51 o 1.351000       1.900000      261.6249      167.9  
1 1 1 3  1  52 o 4.006000       2.174000      330.1891      -13.9  
1 1 1 3  1  53 o 2.743000       1.380000      114.1004      -35.5  
1 1 1 3  1  54 o 4.244000       1.246000      227.0967      171.4  
1 1 1 3  1  55 o 10.03000       1.322000      310.9301      169.1  
1 1 1 3  1  56 o 2.149000       1.283000      202.3569      -64.6  
1 1 1 3  1  57 o 4.729000       1.328000      252.4428      -5.8   
1 1 1 3  1  58 o 2.548000       1.364000      203.9425      -55.5  
1 1 1 3  1  59 o 3.627000       1.419000      211.4340      112.8  
1 1 1 3  1  60 o 2.453000       1.441000      196.5350      -78.4  
1 1 1 3  1  61 o 3.625000       1.452000      259.2642      -144.6 
1 1 1 3  1  62 o 0.3990000      1.438000      194.1958      151.0  
1 1 1 3  1  63 o 3.447000       1.437000      ?             ?      
1 1 1 3  1  64 o 0.3749000      1.395000      ?             ?      
1 1 1 3  1  65 f -0.8016000     1.572000      ?             ?      
1 1 1 3  1  66 o -0.4770000     2.690000      ?             ?      
1 1 1 3  1  67 f 1.219000       2.779000      ?             ?      
1 1 1 3  1  68 o 1.884000       1.606000      ?             ?      
1 1 1 3  1  69 o 0.1718000      1.407000      ?             ?      
1 1 1 3  1  70 o 0.7184000      1.388000      ?             ?      
1 1 1 3  1  71 o 0.3738000      1.389000      ?             ?      
1 1 1 3  1  72 o 0.5028000      1.396000      ?             ?      
1 1 1 3  1  73 o 3.936000       1.415000      ?             ?      
1 1 1 3  1  74 o 0.5817000      1.406000      ?             ?      
1 1 1 3  1  75 o 0.7261000      1.430000      ?             ?      
1 1 1 3  1  76 o 0.8089000      1.458000      ?             ?      
1 1 1 3  1  77 o 0.5917000      1.470000      ?             ?      
1 1 1 3  2  2  o 0.3516000      0.7971000E-01 ?             ?      
1 1 1 3  2  3  o 0.4698000      0.8897000E-01 ?             ?      
1 1 1 3  2  4  o 24.33000       0.5499000     630.8074      -57.3  
1 1 1 3  2  5  o 8.520000       0.2383000     419.2332      -65.6  
1 1 1 3  2  6  o 2.737000       0.1858000     81.17503      -159.7 
1 1 1 3  2  7  o 2.766000       0.2135000     527.6462      -146.7 
1 1 1 3  2  8  o 27.51000       0.6831000     761.2197      117.8  
1 1 1 3  2  9  o 1.228000       0.2578000     ?             ?      
1 1 1 3  2  10 o 18.68000       0.5482000     923.2187      10.0   
1 1 1 3  2  11 o 29.61000       0.7633000     1045.074      -31.5  
1 1 1 3  2  12 o 20.10000       0.6111000     768.2389      105.1  
1 1 1 3  2  13 o 8.450000       0.4145000     462.5304      68.2   
1 1 1 3  2  14 o 17.30000       0.5549000     545.5146      -139.8 
1 1 1 3  2  15 o 2.978000       0.4111000     180.1811      -129.3 
1 1 1 3  2  16 o 34.52000       0.9981000     764.8770      100.8  
1 1 1 3  2  17 o 11.60000       0.6887000     326.3352      132.5  
1 1 1 3  2  18 o 24.15000       0.9548000     638.6665      -55.6  
1 1 1 3  2  19 o 20.37000       0.8864000     479.7682      64.7   
1 1 1 3  2  20 o 12.43000       0.5911000     519.7328      44.1   
1 1 1 3  2  21 o 11.88000       0.5995000     463.4778      90.7   
1 1 1 3  2  22 o 33.11000       0.9897000     441.9835      -35.0  
1 1 1 3  2  23 o 9.083000       0.6114000     378.3550      -146.2 
1 1 1 3  2  24 o 14.08000       0.6928000     499.9657      13.9   
1 1 1 3  2  25 o 10.55000       0.6705000     613.7043      -136.4 
1 1 1 3  2  26 o 24.82000       0.8714000     925.1371      125.6  
1 1 1 3  2  27 o 9.771000       0.7336000     200.2570      -100.7 
1 1 1 3  2  28 o 29.09000       1.078000      468.4167      148.1  
1 1 1 3  2  29 o 37.05000       1.153000      691.5290      -9.5   
1 1 1 3  2  30 o 6.604000       0.8421000     675.3419      -34.3  
1 1 1 3  2  31 o 22.85000       1.044000      677.0965      -40.4  
1 1 1 3  2  32 o 84.33000       2.042000      1372.075      70.6   
1 1 1 3  2  33 o 27.37000       1.236000      856.0994      14.1   
1 1 1 3  2  34 o 38.96000       1.821000      787.1405      -25.5  
1 1 1 3  2  35 o 14.55000       1.522000      391.4677      104.6  
1 1 1 3  2  36 o 6.893000       1.567000      278.6589      62.6   
1 1 1 3  2  37 o 9.630000       1.357000      368.4084      -146.3 
1 1 1 3  2  38 o 12.75000       1.174000      482.0415      -99.7  
1 1 1 3  2  39 f 10.82000       1.149000      435.2233      53.6   
1 1 1 3  2  40 o 6.739000       1.181000      361.9531      47.1   
1 1 1 3  2  41 o 10.72000       1.220000      220.2626      -170.4 
1 1 1 3  2  42 o 15.27000       1.286000      280.9312      16.7   
1 1 1 3  2  43 o 15.99000       1.331000      629.4500      -28.8  
1 1 1 3  2  44 o 6.403000       1.142000      388.7198      -72.8  
1 1 1 3  2  45 o 15.66000       1.148000      453.7347      -171.4 
1 1 1 3  2  46 o 7.783000       1.090000      198.6101      -157.4 
1 1 1 3  2  47 o 16.71000       1.171000      408.1771      18.2   
1 1 1 3  2  48 o 5.250000       1.087000      145.2417      -127.2 
1 1 1 3  2  49 o 5.874000       1.159000      220.4477      23.1   
1 1 1 3  2  50 f 3.395000       1.467000      354.4311      -65.4  
1 1 1 3  2  51 o 4.350000       1.426000      177.3270      91.1   
1 1 1 3  2  52 o 8.609000       1.839000      353.6975      -44.7  
1 1 1 3  2  53 f 6.620000       2.231000      353.7503      156.7  
1 1 1 3  2  54 o 6.631000       1.377000      189.8597      36.7   
1 1 1 3  2  55 o 25.37000       1.489000      735.1748      101.0  
1 1 1 3  2  56 o 8.565000       1.329000      378.8688      56.5   
1 1 1 3  2  57 o 7.482000       1.372000      447.4997      133.8  
1 1 1 3  2  58 o 2.134000       1.392000      77.88689      74.2   
1 1 1 3  2  59 o 13.52000       1.481000      427.4298      19.0   
1 1 1 3  2  60 o 6.969000       1.457000      292.0690      -8.9   
1 1 1 3  2  61 o 5.694000       1.450000      225.0007      0.1    
1 1 1 3  2  62 o 2.765000       1.439000      88.98964      4.3    
1 1 1 3  2  63 o 1.425000       1.415000      ?             ?      
1 1 1 3  2  64 o 0.8089000      1.391000      ?             ?      
1 1 1 3  2  65 o -2.273000      1.590000      ?             ?      
1 1 1 3  2  66 o -0.4312000     1.650000      ?             ?      
1 1 1 3  2  67 o -0.5412000     1.653000      ?             ?      
1 1 1 3  2  68 o -1.416000      1.623000      ?             ?      
1 1 1 3  2  69 o 1.311000       1.419000      ?             ?      
1 1 1 3  2  70 o 0.6272000      1.410000      ?             ?      
1 1 1 3  2  71 o 2.413000       1.421000      ?             ?      
1 1 1 3  2  72 o -0.3725000     1.404000      ?             ?      
1 1 1 3  2  73 o 2.449000       1.420000      ?             ?      
1 1 1 3  2  74 o 0.5360000E-01  1.423000      ?             ?      
1 1 1 3  2  75 o 1.614000       1.438000      ?             ?      
1 1 1 3  2  76 o 1.043000       1.469000      ?             ?      
1 1 1 3  2  77 o -1.536000      2.084000      ?             ?      
1 1 1 3  3  0  o 19.17000       0.4615000     558.9443      90.0   
1 1 1 3  3  1  o 16.16000       0.3408000     511.1045      -176.8 
1 1 1 3  3  2  o 6.041000       0.2126000     436.4402      -64.5  
1 1 1 3  3  3  o 9.762000       0.2679000     191.1253      -153.3 
1 1 1 3  3  4  o 2.933000       0.1405000     349.9371      161.5  
1 1 1 3  3  5  o 5.092000       0.2049000     667.5966      169.6  
1 1 1 3  3  6  o 126.3000       2.726000      1553.259      75.7   
1 1 1 3  3  7  o 7.904000       0.2746000     430.4628      -128.0 
1 1 1 3  3  8  o 57.24000       1.285000      1277.582      141.2  
1 1 1 3  3  9  o 10.88000       0.3598000     830.1023      54.2   
1 1 1 3  3  10 o 54.75000       1.257000      1351.662      45.9   
1 1 1 3  3  11 o 4.919000       0.3366000     70.42236      105.2  
1 1 1 3  3  12 o 3.497000       0.3493000     282.4248      -146.1 
1 1 1 3  3  13 o 98.47000       2.023000      1259.025      172.9  
1 1 1 3  3  14 o 71.30000       1.512000      1479.292      -110.6 
1 1 1 3  3  15 o 109.2000       2.583000      1772.788      -119.5 
1 1 1 3  3  16 o 2.480000       0.5754000     226.9256      -137.9 
1 1 1 3  3  17 o 25.49000       0.8352000     498.9442      -16.9  
1 1 1 3  3  18 o 27.69000       0.8991000     890.9285      -160.5 
1 1 1 3  3  19 o 6.500000       0.7364000     619.5001      108.2  
1 1 1 3  3  20 o 88.58000       2.193000      1221.404      164.3  
1 1 1 3  3  21 o 13.61000       0.6244000     635.8320      43.8   
1 1 1 3  3  22 o 49.59000       1.298000      947.4574      123.3  
1 1 1 3  3  23 o 14.56000       0.6773000     388.7613      106.0  
1 1 1 3  3  24 o 64.11000       1.492000      1279.713      177.2  
1 1 1 3  3  25 o 5.615000       0.6370000     238.0922      111.2  
1 1 1 3  3  26 o 6.214000       0.6674000     547.6362      41.4   
1 1 1 3  3  27 o 3.002000       0.6879000     29.04402      96.9   
1 1 1 3  3  28 o 76.54000       1.791000      1112.769      132.6  
1 1 1 3  3  29 o 28.68000       1.125000      684.0590      30.2   
1 1 1 3  3  30 o 17.30000       0.9363000     556.2427      -95.3  
1 1 1 3  3  31 o 64.24000       1.656000      1310.549      174.5  
1 1 1 3  3  32 o 6.861000       0.9714000     400.2839      97.4   
1 1 1 3  3  33 o 45.87000       1.675000      506.0952      74.6   
1 1 1 3  3  34 o 14.48000       1.570000      463.7444      124.2  
1 1 1 3  3  35 o 15.00000       1.351000      582.7575      -135.1 
1 1 1 3  3  36 o 23.27000       1.518000      725.3732      110.7  
1 1 1 3  3  37 o 7.402000       1.729000      455.5395      49.2   
1 1 1 3  3  38 o 35.98000       1.636000      1218.791      157.6  
1 1 1 3  3  39 o 17.23000       1.302000      644.1636      163.3  
1 1 1 3  3  40 o 76.30000       2.184000      1290.954      39.8   
1 1 1 3  3  41 o 63.29000       2.091000      1359.612      112.1  
1 1 1 3  3  42 o 56.20000       1.811000      972.9342      112.2  
1 1 1 3  3  43 o 3.052000       1.042000      272.4622      169.7  
1 1 1 3  3  44 o 26.25000       1.235000      636.5400      70.1   
1 1 1 3  3  45 o 15.50000       1.126000      515.9907      166.1  
1 1 1 3  3  46 o 39.02000       1.434000      914.8672      -47.6  
1 1 1 3  3  47 o 12.03000       1.122000      502.9887      98.7   
1 1 1 3  3  48 o 7.910000       1.102000      426.6614      116.8  
1 1 1 3  3  49 o 2.005000       1.075000      354.2428      4.1    
1 1 1 3  3  50 o 16.20000       1.512000      624.9474      160.3  
1 1 1 3  3  51 o 16.93000       1.384000      577.4600      -11.8  
1 1 1 3  3  52 o 10.21000       1.435000      314.1642      -68.2  
1 1 1 3  3  53 o 5.476000       2.206000      406.2670      -117.0 
1 1 1 3  3  54 o 21.00000       2.216000      570.8870      176.4  
1 1 1 3  3  55 o 24.45000       1.679000      796.1782      112.9  
1 1 1 3  3  56 o 7.047000       1.431000      307.6520      -105.3 
1 1 1 3  3  57 o 35.97000       1.668000      808.7827      114.0  
1 1 1 3  3  58 o 8.726000       1.420000      263.1905      -153.3 
1 1 1 3  3  59 o 7.493000       1.444000      291.2454      -164.8 
1 1 1 3  3  60 o 1.609000       1.419000      141.5010      -98.9  
1 1 1 3  3  61 o 2.532000       1.426000      229.6791      96.8   
1 1 1 3  3  62 o 3.132000       1.437000      220.5050      -104.5 
1 1 1 3  3  63 o 0.6372000      1.548000      ?             ?      
1 1 1 3  3  64 o 1.706000       1.526000      ?             ?      
1 1 1 3  3  65 o 0.9120000      1.813000      ?             ?      
1 1 1 3  3  66 o 4.018000       1.628000      ?             ?      
1 1 1 3  3  67 o 5.244000       1.661000      ?             ?      
1 1 1 3  3  68 o 0.6469000      1.881000      ?             ?      
1 1 1 3  3  69 o 5.065000       1.568000      ?             ?      
1 1 1 3  3  70 o 3.216000       1.430000      ?             ?      
1 1 1 3  3  71 f 5.724000       1.453000      ?             ?      
1 1 1 3  3  72 o -1.076000      1.427000      ?             ?      
1 1 1 3  3  73 f 2.856000       1.437000      ?             ?      
1 1 1 3  3  74 o -0.6052000     1.426000      ?             ?      
1 1 1 3  3  75 o -1.502000      1.453000      ?             ?      
1 1 1 3  3  76 o 6.119000       1.510000      ?             ?      
1 1 1 3  3  77 o 1.201000       1.518000      ?             ?      
1 1 1 3  4  0  o 10.78000       0.3332000     190.5385      90.0   
1 1 1 3  4  1  o 25.91000       0.5276000     191.0525      94.2   
1 1 1 3  4  2  o 68.95000       1.735000      648.3787      64.8   
1 1 1 3  4  3  o 59.37000       1.124000      922.3961      -168.0 
1 1 1 3  4  4  o 84.88000       1.817000      1467.673      -9.3   
1 1 1 3  4  5  o 230.0000       4.921000      2278.346      -138.8 
1 1 1 3  4  6  o 3.146000       0.1882000     734.7728      45.1   
1 1 1 3  4  7  o 11.33000       0.3247000     332.8662      146.6  
1 1 1 3  4  8  o 58.93000       1.214000      1047.336      34.6   
1 1 1 3  4  9  o 57.60000       1.199000      1523.707      150.4  
1 1 1 3  4  10 o 92.96000       1.887000      2045.982      -121.7 
1 1 1 3  4  11 f 142.5000       2.854000      2089.734      -89.1  
1 1 1 3  4  12 o 209.3000       4.161000      2060.053      113.4  
1 1 1 3  4  13 o 15.89000       0.5169000     607.7123      -56.0  
1 1 1 3  4  14 o 35.66000       0.8573000     717.6520      -95.4  
1 1 1 3  4  15 o 96.54000       2.304000      1331.134      76.3   
1 1 1 3  4  16 o 23.50000       0.9780000     687.4424      -99.0  
1 1 1 3  4  17 o 105.0000       2.179000      1548.483      -48.6  
1 1 1 3  4  18 o 16.94000       0.6275000     439.7370      -52.1  
1 1 1 3  4  19 o 111.7000       2.993000      1682.760      -131.9 
1 1 1 3  4  20 o 27.38000       1.056000      246.2798      -112.3 
1 1 1 3  4  21 o 5.851000       0.5600000     519.6627      -45.3  
1 1 1 3  4  22 o 37.81000       1.004000      977.5650      60.8   
1 1 1 3  4  23 o 38.43000       1.032000      697.6888      -68.5  
1 1 1 3  4  24 o 4.244000       0.6010000     181.2894      -20.6  
1 1 1 3  4  25 o 25.55000       0.8713000     599.7368      -155.9 
1 1 1 3  4  26 o 47.95000       1.247000      1110.418      -179.7 
1 1 1 3  4  27 o 19.07000       0.8485000     396.6090      57.4   
1 1 1 3  4  28 o 129.7000       3.004000      1531.632      162.5  
1 1 1 3  4  29 o 18.03000       0.9017000     794.1636      -31.4  
1 1 1 3  4  30 o 47.72000       1.478000      1073.543      77.2   
1 1 1 3  4  31 o 15.73000       0.9860000     365.7121      64.0   
1 1 1 3  4  32 o 20.17000       1.092000      503.7511      117.0  
1 1 1 3  4  33 o 22.64000       1.540000      971.8022      -4.6   
1 1 1 3  4  34 o 32.16000       1.677000      740.4303      -94.8  
1 1 1 3  4  35 o 132.8000       3.239000      1591.429      99.7   
1 1 1 3  4  36 o 29.89000       1.755000      1040.581      79.3   
1 1 1 3  4  37 o 136.2000       4.012000      1836.643      -89.5  
1 1 1 3  4  38 o 83.47000       2.820000      1328.958      -60.4  
1 1 1 3  4  39 o 103.5000       2.673000      1611.747      42.3   
1 1 1 3  4  40 o 77.73000       2.028000      1569.919      -102.7 
1 1 1 3  4  41 o 24.21000       1.235000      517.1434      -74.8  
1 1 1 3  4  42 o 10.77000       1.107000      435.5806      -65.8  
1 1 1 3  4  43 o 85.64000       2.158000      1482.128      -157.9 
1 1 1 3  4  44 o 40.40000       1.422000      796.5233      -93.4  
1 1 1 3  4  45 o 13.09000       1.095000      514.5721      -150.4 
1 1 1 3  4  46 o 10.72000       1.093000      338.8712      -156.5 
1 1 1 3  4  47 o 16.71000       1.162000      700.7740      71.3   
1 1 1 3  4  48 o 18.74000       1.197000      575.6963      170.1  
1 1 1 3  4  49 o 15.03000       1.328000      451.6287      -117.8 
1 1 1 3  4  50 o 12.18000       1.544000      486.8456      49.8   
1 1 1 3  4  51 o 6.427000       1.286000      327.7593      -3.0   
1 1 1 3  4  52 o 7.754000       1.205000      361.0480      6.8    
1 1 1 3  4  53 o 9.158000       1.501000      445.1433      -71.7  
1 1 1 3  4  54 o 13.11000       1.668000      400.7555      -140.4 
1 1 1 3  4  55 o -0.4752000     1.447000      219.1505      172.2  
1 1 1 3  4  56 o 19.30000       1.782000      654.9467      -167.1 
1 1 1 3  4  57 o 9.100000       1.601000      406.0420      56.8   
1 1 1 3  4  58 o 3.867000       1.491000      296.6831      175.8  
1 1 1 3  4  59 o 30.43000       1.687000      860.6862      47.9   
1 1 1 3  4  60 o -1.716000      1.424000      70.93377      148.5  
1 1 1 3  4  61 o 4.650000       1.451000      277.9744      67.0   
1 1 1 3  4  62 o 7.696000       1.473000      ?             ?      
1 1 1 3  4  63 o 6.246000       1.466000      ?             ?      
1 1 1 3  4  64 o 4.614000       1.648000      ?             ?      
1 1 1 3  4  65 o 4.326000       1.859000      ?             ?      
1 1 1 3  4  66 o 1.975000       1.424000      ?             ?      
1 1 1 3  4  67 o 3.134000       1.543000      ?             ?      
1 1 1 3  4  68 o 4.515000       1.926000      ?             ?      
1 1 1 3  4  69 o 8.300000       1.729000      ?             ?      
1 1 1 3  4  70 o 1.725000       1.436000      ?             ?      
1 1 1 3  4  71 o 3.762000       1.441000      ?             ?      
1 1 1 3  4  72 o 3.227000       1.429000      ?             ?      
1 1 1 3  4  73 o 1.801000       1.418000      ?             ?      
1 1 1 3  4  74 o 4.195000       1.443000      ?             ?      
1 1 1 3  4  75 o 2.209000       1.474000      ?             ?      
1 1 1 3  4  76 o 0.6235000      1.510000      ?             ?      
1 1 1 3  4  77 o 3.348000       1.766000      ?             ?      
1 1 1 3  5  0  o 13.32000       0.4070000     133.6984      90.0   
1 1 1 3  5  1  o 187.1000       3.298000      1278.954      51.7   
1 1 1 3  5  2  o 70.11000       1.246000      1138.980      -155.5 
1 1 1 3  5  3  o 38.53000       0.9109000     634.3759      -162.4 
1 1 1 3  5  4  o 85.88000       1.833000      1016.341      49.5   
1 1 1 3  5  5  o 53.47000       1.254000      1999.281      83.7   
1 1 1 3  5  6  o 87.78000       1.756000      974.6602      68.5   
1 1 1 3  5  7  o 206.4000       4.072000      1760.021      -134.9 
1 1 1 3  5  8  o 62.83000       1.291000      1498.859      -62.8  
1 1 1 3  5  9  o 220.4000       4.360000      2356.598      12.9   
1 1 1 3  5  10 o 27.63000       0.6546000     1111.565      -25.3  
1 1 1 3  5  11 o 332.3000       6.550000      2742.676      -136.4 
1 1 1 3  5  12 o 176.0000       3.509000      1668.248      154.4  
1 1 1 3  5  13 o 65.24000       1.385000      1439.386      -160.5 
1 1 1 3  5  14 o 65.98000       1.615000      1437.450      -101.1 
1 1 1 3  5  15 o 40.68000       1.320000      777.7269      67.8   
1 1 1 3  5  16 o 64.61000       1.614000      1214.362      44.1   
1 1 1 3  5  17 o 71.18000       1.536000      1061.556      -17.3  
1 1 1 3  5  18 o 51.88000       1.189000      966.3446      -11.0  
1 1 1 3  5  19 o 42.50000       1.210000      854.2556      49.3   
1 1 1 3  5  20 o 18.03000       0.9866000     525.5556      -100.6 
1 1 1 3  5  21 o 20.07000       0.8360000     599.2747      29.4   
1 1 1 3  5  22 o 104.6000       2.218000      1384.424      116.0  
1 1 1 3  5  23 o 42.04000       1.095000      969.4240      117.0  
1 1 1 3  5  24 o 16.71000       0.7309000     518.0983      -53.9  
1 1 1 3  5  25 o 57.40000       1.391000      1049.932      128.1  
1 1 1 3  5  26 o 111.3000       2.395000      1318.496      -120.8 
1 1 1 3  5  27 o 47.05000       1.264000      894.6705      -131.6 
1 1 1 3  5  28 o 150.1000       3.162000      1561.057      158.9  
1 1 1 3  5  29 o 135.7000       2.905000      1574.172      -156.9 
1 1 1 3  5  30 o 72.69000       1.783000      1190.062      -86.7  
1 1 1 3  5  31 o 17.75000       1.022000      162.3645      98.3   
1 1 1 3  5  32 o 19.27000       1.382000      507.1565      -168.9 
1 1 1 3  5  33 o 75.84000       3.767000      1265.721      162.2  
1 1 1 3  5  34 o 94.06000       2.950000      1232.151      -144.5 
1 1 1 3  5  35 o 132.4000       3.232000      1506.313      116.2  
1 1 1 3  5  36 o 207.9000       5.078000      1970.119      57.0   
1 1 1 3  5  37 o 409.8000       9.551000      2810.439      83.3   
1 1 1 3  5  38 o 68.30000       2.495000      1355.310      146.6  
1 1 1 3  5  39 o 19.49000       1.283000      595.9046      17.3   
1 1 1 3  5  40 o 60.05000       1.718000      889.9111      103.7  
1 1 1 3  5  41 o 8.875000       1.070000      243.7951      -30.4  
1 1 1 3  5  42 o 38.68000       1.406000      919.4992      -24.8  
1 1 1 3  5  43 o 47.40000       1.535000      1036.865      -3.1   
1 1 1 3  5  44 o 20.20000       1.170000      674.4849      -6.8   
1 1 1 3  5  45 o 10.92000       1.081000      391.0729      -163.4 
1 1 1 3  5  46 o 16.87000       1.147000      662.5027      -93.8  
1 1 1 3  5  47 o 10.42000       1.098000      381.1939      129.9  
1 1 1 3  5  48 o 27.01000       1.299000      741.1154      -164.7 
1 1 1 3  5  49 o 10.49000       1.302000      479.1824      -105.2 
1 1 1 3  5  50 o 17.90000       1.377000      430.6776      170.7  
1 1 1 3  5  51 o 20.31000       1.271000      684.7414      -10.6  
1 1 1 3  5  52 o 8.698000       1.197000      536.7745      -14.7  
1 1 1 3  5  53 o 11.43000       1.490000      601.8792      -140.0 
1 1 1 3  5  54 o 12.25000       1.912000      333.3287      93.6   
1 1 1 3  5  55 o 4.364000       1.455000      360.7609      -80.8  
1 1 1 3  5  56 o 14.20000       1.482000      474.8432      -152.2 
1 1 1 3  5  57 o 12.50000       1.617000      608.1024      133.0  
1 1 1 3  5  58 o 1.250000       1.517000      175.6039      160.8  
1 1 1 3  5  59 o 1.935000       1.539000      178.9773      -178.7 
1 1 1 3  5  60 o 0.6385000      1.635000      270.8447      -172.4 
1 1 1 3  5  61 o 7.652000       1.595000      383.8715      44.5   
1 1 1 3  5  62 o 7.946000       1.484000      ?             ?      
1 1 1 3  5  63 o 2.731000       1.570000      ?             ?      
1 1 1 3  5  64 o 7.553000       2.384000      ?             ?      
1 1 1 3  5  65 o 3.710000       1.661000      ?             ?      
1 1 1 3  5  66 o 11.44000       1.490000      ?             ?      
1 1 1 3  5  67 o 1.487000       1.410000      ?             ?      
1 1 1 3  5  68 o 6.607000       1.693000      ?             ?      
1 1 1 3  5  69 o 2.619000       1.886000      ?             ?      
1 1 1 3  5  70 o 3.653000       1.430000      ?             ?      
1 1 1 3  5  71 o 2.709000       1.423000      ?             ?      
1 1 1 3  5  72 o 3.599000       1.437000      ?             ?      
1 1 1 3  5  73 o 3.525000       1.451000      ?             ?      
1 1 1 3  5  74 o 7.237000       1.479000      ?             ?      
1 1 1 3  5  75 o 6.371000       1.509000      ?             ?      
1 1 1 3  5  76 f 0.6225000E-01  1.607000      ?             ?      
1 1 1 3  5  77 o 3.258000       2.973000      ?             ?      
1 1 1 3  6  0  o 2.813000       0.1777000     1105.913      90.0   
1 1 1 3  6  1  o 110.4000       2.065000      1129.085      107.8  
1 1 1 3  6  2  o 57.12000       1.021000      300.4864      30.9   
1 1 1 3  6  3  o 152.0000       3.095000      1277.226      140.2  
1 1 1 3  6  4  o 71.77000       1.360000      805.9788      -116.4 
1 1 1 3  6  5  o 17.33000       0.4649000     255.2551      -133.2 
1 1 1 3  6  6  o 19.39000       0.4486000     380.2408      10.6   
1 1 1 3  6  7  o 125.4000       2.494000      1742.731      85.7   
1 1 1 3  6  8  o 404.2000       7.943000      2691.729      4.6    
1 1 1 3  6  9  o 612.5000       12.01000      3407.240      -136.4 
1 1 1 3  6  10 o 54.86000       1.160000      809.3292      6.0    
1 1 1 3  6  11 o 378.3000       7.447000      2689.396      134.7  
1 1 1 3  6  12 f 42.19000       0.9465000     1464.183      -140.4 
1 1 1 3  6  13 o 6.703000       0.4748000     614.2997      179.9  
1 1 1 3  6  14 o 17.75000       0.6363000     897.4377      -130.4 
1 1 1 3  6  15 o 57.52000       1.615000      1233.168      -34.0  
1 1 1 3  6  16 o 4.269000       0.4418000     729.9124      128.5  
1 1 1 3  6  17 o 32.50000       0.8432000     768.7252      61.1   
1 1 1 3  6  18 o 91.67000       1.929000      1385.176      157.1  
1 1 1 3  6  19 o 75.96000       1.784000      1645.069      -139.1 
1 1 1 3  6  20 o 10.75000       0.8065000     496.1510      55.7   
1 1 1 3  6  21 o 68.08000       1.998000      1329.155      113.5  
1 1 1 3  6  22 o 397.5000       7.887000      2882.130      156.0  
1 1 1 3  6  23 o 188.5000       3.829000      2227.901      23.3   
1 1 1 3  6  24 o 162.3000       3.334000      1894.410      -46.7  
1 1 1 3  6  25 o 43.02000       1.150000      1016.751      -132.4 
1 1 1 3  6  26 o 9.354000       0.7297000     287.1818      -153.0 
1 1 1 3  6  27 o 105.7000       2.306000      1363.595      -77.8  
1 1 1 3  6  28 o 34.46000       1.112000      713.4108      17.6   
1 1 1 3  6  29 o 28.55000       1.083000      690.9526      -37.4  
1 1 1 3  6  30 o 113.8000       2.734000      1723.384      -47.0  
1 1 1 3  6  31 o 32.28000       1.415000      723.1547      -174.9 
1 1 1 3  6  32 o 26.08000       1.542000      461.0287      126.2  
1 1 1 3  6  33 o 104.4000       3.182000      1725.020      -28.9  
1 1 1 3  6  34 o 53.05000       1.771000      983.7048      134.3  
1 1 1 3  6  35 o 57.49000       1.723000      1146.935      96.3   
1 1 1 3  6  36 o 82.41000       2.099000      1514.692      -151.3 
1 1 1 3  6  37 o 64.26000       1.964000      1043.330      -68.4  
1 1 1 3  6  38 o 59.12000       2.313000      973.6833      -64.4  
1 1 1 3  6  39 o 61.57000       2.015000      898.1456      45.4   
1 1 1 3  6  40 o 52.05000       1.593000      1223.588      -82.2  
1 1 1 3  6  41 o 37.37000       1.372000      860.3347      41.7   
1 1 1 3  6  42 o 12.45000       1.090000      748.3121      112.1  
1 1 1 3  6  43 o 132.1000       2.972000      1649.443      -131.4 
1 1 1 3  6  44 o 61.93000       1.751000      1210.575      -80.5  
1 1 1 3  6  45 o 17.90000       1.145000      788.3348      -103.8 
1 1 1 3  6  46 o 17.72000       1.159000      458.0202      27.5   
1 1 1 3  6  47 o 82.55000       2.130000      1363.409      -11.1  
1 1 1 3  6  48 o 4.134000       1.224000      315.8519      -82.5  
1 1 1 3  6  49 o 131.9000       4.222000      ?             ?      
1 1 1 3  6  50 o 27.81000       1.510000      858.1024      32.2   
1 1 1 3  6  51 o 46.46000       1.619000      1100.030      39.8   
1 1 1 3  6  52 o 16.95000       1.269000      690.6778      -79.9  
1 1 1 3  6  53 o 28.73000       1.440000      669.6721      2.4    
1 1 1 3  6  54 o 36.29000       1.870000      855.4655      -70.0  
1 1 1 3  6  55 o 5.130000       1.483000      308.0267      176.0  
1 1 1 3  6  56 o 13.36000       1.396000      410.0165      135.9  
1 1 1 3  6  57 o 17.05000       1.464000      503.9071      61.8   
1 1 1 3  6  58 o 73.01000       2.279000      ?             ?      
1 1 1 3  6  59 o 14.76000       1.614000      497.8551      41.8   
1 1 1 3  6  60 o 20.39000       1.720000      768.6606      -148.1 
1 1 1 3  6  61 o 5.170000       1.742000      281.5055      -10.8  
1 1 1 3  6  62 o 18.46000       1.782000      ?             ?      
1 1 1 3  6  63 o 23.51000       1.836000      ?             ?      
1 1 1 3  6  64 o 13.46000       1.921000      ?             ?      
1 1 1 3  6  65 o 2.331000       1.538000      ?             ?      
1 1 1 3  6  66 o -0.1604000     1.413000      ?             ?      
1 1 1 3  6  67 o 3.231000       1.430000      ?             ?      
1 1 1 3  6  68 o 8.681000       1.612000      ?             ?      
1 1 1 3  6  69 o 6.362000       1.933000      ?             ?      
1 1 1 3  6  70 o 0.4864000      1.631000      ?             ?      
1 1 1 3  6  71 o 6.677000       1.471000      ?             ?      
1 1 1 3  6  72 o -0.3747000     1.400000      ?             ?      
1 1 1 3  6  73 o 9.207000       1.499000      ?             ?      
1 1 1 3  6  74 o 1.290000       1.457000      ?             ?      
1 1 1 3  6  75 o 3.021000       1.495000      ?             ?      
1 1 1 3  6  76 o 3.247000       1.712000      ?             ?      
1 1 1 3  7  0  o 0.2462000      0.1801000     10.36389      -90.0  
1 1 1 3  7  1  o 38.08000       0.7752000     1043.178      15.1   
1 1 1 3  7  2  o 417.7000       7.747000      2710.478      170.8  
1 1 1 3  7  3  o 104.4000       2.708000      907.4359      -143.7 
1 1 1 3  7  4  o 3.220000       0.1535000     228.3718      -9.3   
1 1 1 3  7  5  o 63.99000       1.502000      1101.581      -137.4 
1 1 1 3  7  6  o 31.41000       0.6761000     1302.325      74.2   
1 1 1 3  7  7  f 501.7000       9.844000      3184.728      -120.5 
1 1 1 3  7  8  o 303.2000       5.969000      2428.727      2.9    
1 1 1 3  7  9  o 125.7000       2.516000      1346.904      89.6   
1 1 1 3  7  10 o 603.3000       11.84000      3348.278      -136.7 
1 1 1 3  7  11 o 50.12000       1.085000      706.0468      54.8   
1 1 1 3  7  12 o 96.16000       1.966000      1122.770      -53.6  
1 1 1 3  7  13 o 15.37000       0.5722000     678.5929      -33.2  
1 1 1 3  7  14 o 46.15000       1.436000      838.9892      -69.7  
1 1 1 3  7  15 o 86.52000       2.078000      1619.375      122.8  
1 1 1 3  7  16 o 63.39000       1.378000      1104.337      108.3  
1 1 1 3  7  17 o 68.85000       1.490000      1241.533      -37.5  
1 1 1 3  7  18 o 137.6000       2.806000      1130.972      -0.3   
1 1 1 3  7  19 o 54.10000       1.245000      1130.475      -54.8  
1 1 1 3  7  20 o 113.6000       2.747000      1264.210      -55.0  
1 1 1 3  7  21 o 217.6000       6.218000      1973.836      -138.0 
1 1 1 3  7  22 o 4.420000       0.6812000     454.0155      120.9  
1 1 1 3  7  23 o 158.2000       3.249000      1858.622      116.6  
1 1 1 3  7  24 o 123.1000       2.589000      1008.342      -110.0 
1 1 1 3  7  25 o 313.0000       6.259000      2510.090      114.3  
1 1 1 3  7  26 o 220.1000       4.473000      1960.036      -25.0  
1 1 1 3  7  27 o 224.0000       4.926000      2257.623      -29.6  
1 1 1 3  7  28 o 32.67000       1.279000      874.6505      -70.0  
1 1 1 3  7  29 o 117.5000       2.779000      1398.982      165.3  
1 1 1 3  7  30 o 49.68000       1.577000      985.4098      158.2  
1 1 1 3  7  31 o 59.17000       2.296000      1038.297      5.7    
1 1 1 3  7  32 o 293.1000       10.46000      2543.252      -114.7 
1 1 1 3  7  33 o 121.1000       3.153000      1311.792      96.7   
1 1 1 3  7  34 o 67.05000       1.843000      1187.385      -137.6 
1 1 1 3  7  35 o 117.7000       2.711000      1476.895      155.9  
1 1 1 3  7  36 o 170.0000       3.655000      1586.652      49.3   
1 1 1 3  7  37 o 227.4000       4.744000      2128.888      64.8   
1 1 1 3  7  38 o 82.78000       2.445000      1179.611      120.1  
1 1 1 3  7  39 o 54.77000       2.178000      1391.017      58.2   
1 1 1 3  7  40 o 74.37000       2.105000      1114.939      102.0  
1 1 1 3  7  41 o 28.99000       1.261000      886.2548      -70.6  
1 1 1 3  7  42 o 107.5000       2.516000      1309.529      -19.8  
1 1 1 3  7  43 o 40.63000       1.423000      934.2690      -3.9   
1 1 1 3  7  44 o 43.91000       1.476000      832.2391      -49.0  
1 1 1 3  7  45 o 26.41000       1.249000      872.3881      -45.1  
1 1 1 3  7  46 o 10.81000       1.106000      423.9530      -34.5  
1 1 1 3  7  47 o 56.66000       1.717000      1153.096      80.5   
1 1 1 3  7  48 o 31.56000       1.555000      679.6047      37.7   
1 1 1 3  7  49 o 93.89000       2.703000      1570.980      125.8  
1 1 1 3  7  50 o 6.225000       1.213000      345.1358      171.6  
1 1 1 3  7  51 o 7.486000       1.164000      360.9628      14.2   
1 1 1 3  7  52 o 27.95000       1.400000      865.6400      49.2   
1 1 1 3  7  53 o 11.37000       1.265000      302.8997      -159.5 
1 1 1 3  7  54 o 1.981000       1.468000      207.8786      144.5  
1 1 1 3  7  55 o 42.46000       2.446000      978.6199      168.5  
1 1 1 3  7  56 o 42.27000       1.863000      870.7781      6.9    
1 1 1 3  7  57 o 7.546000       1.394000      297.8157      8.5    
1 1 1 3  7  58 o 11.45000       1.463000      404.4188      -125.3 
1 1 1 3  7  59 o 26.02000       1.630000      830.6498      -97.5  
1 1 1 3  7  60 o 21.03000       1.596000      690.1257      147.5  
1 1 1 3  7  61 o 7.362000       1.558000      270.6516      120.1  
1 1 1 3  7  62 o 4.436000       1.650000      ?             ?      
1 1 1 3  7  63 o 28.01000       2.109000      ?             ?      
1 1 1 3  7  64 o 14.27000       2.047000      ?             ?      
1 1 1 3  7  65 o 5.233000       1.556000      ?             ?      
1 1 1 3  7  66 o 4.915000       1.433000      ?             ?      
1 1 1 3  7  67 o 17.74000       1.566000      ?             ?      
1 1 1 3  7  68 o 1.804000       1.421000      ?             ?      
1 1 1 3  7  69 o 3.197000       1.660000      ?             ?      
1 1 1 3  7  70 o 3.309000       1.668000      ?             ?      
1 1 1 3  7  71 o 10.10000       1.498000      ?             ?      
1 1 1 3  7  72 o 4.306000       1.444000      ?             ?      
1 1 1 3  7  73 o 2.124000       1.448000      ?             ?      
1 1 1 3  7  74 o 2.209000       1.463000      ?             ?      
1 1 1 3  7  75 o 6.598000       1.513000      ?             ?      
1 1 1 3  7  76 o 2.366000       1.735000      ?             ?      
1 1 1 3  8  0  o 1066.000       29.51000      3998.689      -90.0  
1 1 1 3  8  1  o 118.0000       2.334000      1521.931      48.3   
1 1 1 3  8  2  o 46.06000       0.8856000     576.7240      -46.4  
1 1 1 3  8  3  o 8.936000       0.3568000     428.4456      15.3   
1 1 1 3  8  4  o 922.7000       17.18000      4410.625      -66.7  
1 1 1 3  8  5  o 58.67000       1.191000      1180.955      -129.5 
1 1 1 3  8  6  o 181.0000       3.574000      2290.015      33.1   
1 1 1 3  8  7  o 38.42000       0.8191000     1619.539      48.7   
1 1 1 3  8  8  o 1096.000       21.47000      4425.532      -57.4  
1 1 1 3  8  9  o 647.8000       12.71000      3149.759      157.3  
1 1 1 3  8  10 o 366.8000       7.224000      2445.979      112.3  
1 1 1 3  8  11 o 27.57000       0.7227000     752.2661      -106.8 
1 1 1 3  8  12 o 103.6000       2.110000      1502.384      64.8   
1 1 1 3  8  13 o 58.63000       1.446000      1111.011      -54.3  
1 1 1 3  8  14 o 128.6000       3.347000      1843.127      -105.4 
1 1 1 3  8  15 o 0.5374000      0.4052000     542.7891      78.5   
1 1 1 3  8  16 o 11.69000       0.5105000     974.7971      115.9  
1 1 1 3  8  17 o 16.41000       0.5930000     470.2296      85.8   
1 1 1 3  8  18 o 47.30000       1.115000      635.7983      -12.9  
1 1 1 3  8  19 o 56.95000       1.298000      934.9079      81.6   
1 1 1 3  8  20 o 127.5000       2.849000      1710.074      179.2  
1 1 1 3  8  21 o 32.08000       1.208000      927.5225      137.3  
1 1 1 3  8  22 o 111.8000       3.077000      1342.073      -172.1 
1 1 1 3  8  23 o 255.8000       5.141000      2274.373      56.2   
1 1 1 3  8  24 f 87.10000       1.922000      804.2363      37.8   
1 1 1 3  8  25 o 535.1000       11.45000      3293.912      137.3  
1 1 1 3  8  26 o 100.4000       2.562000      1313.797      118.7  
1 1 1 3  8  27 o 38.08000       1.266000      608.7247      101.7  
1 1 1 3  8  28 o 271.9000       5.952000      2254.313      -34.6  
1 1 1 3  8  29 o 162.8000       3.717000      2059.842      -110.0 
1 1 1 3  8  30 o 217.0000       4.482000      1741.676      80.2   
1 1 1 3  8  31 o 91.74000       2.493000      1678.754      -151.4 
1 1 1 3  8  32 o 21.65000       1.315000      570.2518      -32.9  
1 1 1 3  8  33 o 86.00000       2.123000      1390.198      -80.5  
1 1 1 3  8  34 o 259.1000       5.332000      2435.710      -28.9  
1 1 1 3  8  35 o 154.2000       3.359000      1776.011      -127.1 
1 1 1 3  8  36 o 178.7000       3.816000      1785.630      -176.8 
1 1 1 3  8  37 o 66.50000       1.820000      1317.746      -27.9  
1 1 1 3  8  38 o 15.87000       1.247000      423.8850      -152.1 
1 1 1 3  8  39 o 15.19000       1.707000      767.5582      146.4  
1 1 1 3  8  40 o 57.45000       1.948000      1093.335      -34.3  
1 1 1 3  8  41 o 56.02000       1.651000      1135.807      125.1  
1 1 1 3  8  42 o 195.8000       4.154000      2279.187      -24.0  
1 1 1 3  8  43 o 15.88000       1.129000      334.2702      114.1  
1 1 1 3  8  44 o 24.77000       1.225000      808.7947      147.0  
1 1 1 3  8  45 o 124.4000       2.854000      1569.663      -8.7   
1 1 1 3  8  46 o 26.21000       1.261000      758.6721      81.2   
1 1 1 3  8  47 o 46.16000       1.742000      810.5288      -156.9 
1 1 1 3  8  48 o 87.66000       3.048000      1357.364      -168.5 
1 1 1 3  8  49 f 73.81000       2.277000      1354.481      -7.2   
1 1 1 3  8  50 o 17.67000       1.227000      308.6054      132.4  
1 1 1 3  8  51 o 10.79000       1.195000      560.9589      -34.9  
1 1 1 3  8  52 o 34.28000       1.493000      933.6709      -66.0  
1 1 1 3  8  53 o 29.32000       1.462000      634.1699      86.8   
1 1 1 3  8  54 o 67.25000       2.040000      1124.429      -93.8  
1 1 1 3  8  55 o 43.59000       2.291000      988.4246      159.7  
1 1 1 3  8  56 o 41.66000       1.981000      888.8740      -66.1  
1 1 1 3  8  57 o 72.34000       2.211000      ?             ?      
1 1 1 3  8  58 o 22.94000       1.581000      827.3843      -158.7 
1 1 1 3  8  59 o 28.98000       1.659000      810.5381      -61.2  
1 1 1 3  8  60 o 40.80000       1.816000      857.7938      -103.2 
1 1 1 3  8  61 o 12.33000       1.499000      506.1149      -66.7  
1 1 1 3  8  62 o 7.031000       1.648000      ?             ?      
1 1 1 3  8  63 o 10.54000       2.002000      ?             ?      
1 1 1 3  8  64 o 14.87000       1.710000      ?             ?      
1 1 1 3  8  65 o 0.9365000      1.528000      ?             ?      
1 1 1 3  8  66 o 1.922000       1.607000      ?             ?      
1 1 1 3  8  67 o 0.5103000      1.519000      ?             ?      
1 1 1 3  8  68 o 1.241000       1.415000      ?             ?      
1 1 1 3  8  69 o 9.735000       1.728000      ?             ?      
1 1 1 3  8  70 o 12.05000       2.175000      ?             ?      
1 1 1 3  8  71 o 7.019000       1.711000      ?             ?      
1 1 1 3  8  72 o 4.919000       1.450000      ?             ?      
1 1 1 3  8  74 o 7.337000       1.499000      ?             ?      
1 1 1 3  8  76 o 1.802000       1.903000      ?             ?      
1 1 1 3  9  0  o 226.1000       6.285000      1609.785      90.0   
1 1 1 3  9  1  o 439.0000       8.611000      2684.881      25.3   
1 1 1 3  9  2  o 178.0000       3.507000      2040.422      130.5  
1 1 1 3  9  3  o 258.4000       5.521000      2230.692      -143.0 
1 1 1 3  9  4  o 173.8000       3.452000      1690.875      50.3   
1 1 1 3  9  5  o 17.47000       0.4615000     563.7307      8.2    
1 1 1 3  9  6  o 4.481000       0.2061000     811.8145      -22.3  
1 1 1 3  9  7  o 123.5000       2.463000      1348.640      175.6  
1 1 1 3  9  8  o 163.3000       3.244000      2136.005      -42.9  
1 1 1 3  9  9  o 75.62000       1.549000      1139.687      113.6  
1 1 1 3  9  10 o 150.5000       3.005000      1738.507      36.4   
1 1 1 3  9  11 o 301.9000       5.960000      2220.438      1.0    
1 1 1 3  9  12 o 29.87000       0.8201000     571.5630      -49.8  
1 1 1 3  9  13 o 23.51000       0.8356000     403.1049      -16.7  
1 1 1 3  9  14 o 44.42000       1.156000      1196.707      143.2  
1 1 1 3  9  15 o 61.63000       1.342000      1192.518      157.1  
1 1 1 3  9  16 o 53.17000       1.195000      1003.343      -127.4 
1 1 1 3  9  17 o 61.03000       1.350000      1476.767      33.1   
1 1 1 3  9  18 o 211.5000       4.240000      1528.588      53.6   
1 1 1 3  9  19 o 111.1000       2.313000      1752.857      -18.9  
1 1 1 3  9  20 o 19.73000       0.7043000     652.3705      100.5  
1 1 1 3  9  21 o 55.50000       1.524000      1020.722      -104.3 
1 1 1 3  9  22 o 85.96000       2.700000      1264.589      -95.8  
1 1 1 3  9  23 o 305.2000       7.043000      2561.879      163.1  
1 1 1 3  9  24 o 243.4000       5.311000      2165.315      -123.4 
1 1 1 3  9  25 o 1003.000       21.33000      4522.607      106.4  
1 1 1 3  9  26 o 314.4000       7.288000      2430.182      -82.6  
1 1 1 3  9  27 o 94.03000       2.310000      1428.499      49.6   
1 1 1 3  9  28 o 291.5000       5.885000      2397.625      -132.8 
1 1 1 3  9  29 o 330.9000       6.652000      3031.859      123.4  
1 1 1 3  9  30 o 31.76000       1.333000      743.8665      119.8  
1 1 1 3  9  31 o 440.2000       12.38000      3004.086      -33.7  
1 1 1 3  9  32 o 51.63000       1.752000      904.3064      -161.5 
1 1 1 3  9  33 o 235.7000       4.873000      2191.315      19.7   
1 1 1 3  9  34 o 277.7000       5.683000      2092.348      -165.9 
1 1 1 3  9  35 o 115.1000       2.640000      1383.988      89.5   
1 1 1 3  9  36 o 562.5000       11.20000      ?             ?      
1 1 1 3  9  37 o 143.5000       3.157000      1700.943      131.6  
1 1 1 3  9  38 o 83.16000       2.079000      1415.393      109.5  
1 1 1 3  9  39 o 51.21000       1.858000      1329.025      28.8   
1 1 1 3  9  40 o 100.4000       3.160000      1335.282      81.5   
1 1 1 3  9  41 o 52.01000       1.714000      1206.666      54.7   
1 1 1 3  9  42 o 27.30000       1.259000      640.4266      155.6  
1 1 1 3  9  43 o 19.84000       1.163000      687.1675      143.5  
1 1 1 3  9  44 o 109.6000       2.571000      1343.515      -85.3  
1 1 1 3  9  45 o 102.2000       2.444000      1439.713      -78.3  
1 1 1 3  9  46 o 126.0000       2.901000      1733.589      136.2  
1 1 1 3  9  47 o 54.79000       1.897000      898.6420      95.4   
1 1 1 3  9  48 o 39.69000       1.657000      1098.781      72.2   
1 1 1 3  9  49 o 47.48000       1.601000      1078.562      146.5  
1 1 1 3  9  50 o 39.47000       1.503000      872.0867      23.7   
1 1 1 3  9  51 o 4.663000       1.156000      143.6600      -62.0  
1 1 1 3  9  52 o 59.88000       1.880000      1147.659      -36.7  
1 1 1 3  9  53 f 7.497000       1.246000      195.8335      86.0   
1 1 1 3  9  54 o 5.637000       1.255000      339.2515      -95.7  
1 1 1 3  9  55 o 24.55000       1.752000      655.4391      92.7   
1 1 1 3  9  56 o 74.84000       2.957000      ?             ?      
1 1 1 3  9  57 o 7.033000       1.505000      442.5717      -94.7  
1 1 1 3  9  58 o 30.25000       1.661000      829.2806      -157.9 
1 1 1 3  9  59 o 3.527000       1.436000      336.7519      -73.2  
1 1 1 3  9  60 o 29.68000       1.874000      807.6968      45.7   
1 1 1 3  9  61 o 9.077000       1.488000      428.0921      -153.4 
1 1 1 3  9  62 o 24.83000       1.849000      ?             ?      
1 1 1 3  9  63 o 18.80000       1.765000      ?             ?      
1 1 1 3  9  65 o 23.36000       1.701000      ?             ?      
1 1 1 3  9  66 o 1.296000       1.593000      ?             ?      
1 1 1 3  9  67 o 7.881000       1.691000      ?             ?      
1 1 1 3  9  68 o 2.728000       1.520000      ?             ?      
1 1 1 3  9  69 o 1.714000       1.628000      ?             ?      
1 1 1 3  9  70 o 8.161000       1.905000      ?             ?      
1 1 1 3  9  71 o 5.437000       1.707000      ?             ?      
1 1 1 3  9  72 o 11.62000       1.528000      ?             ?      
1 1 1 3  9  73 o 2.948000       1.465000      ?             ?      
1 1 1 3  9  74 o 6.876000       1.508000      ?             ?      
1 1 1 3  9  75 o 0.5885000      1.697000      ?             ?      
1 1 1 3  9  76 o 3.561000       1.918000      ?             ?      
1 1 1 3  10 0  o 3.816000       0.3043000     25.15014      -90.0  
1 1 1 3  10 1  o 90.66000       1.808000      1323.705      103.9  
1 1 1 3  10 2  o 127.9000       2.533000      1561.980      -19.9  
1 1 1 3  10 3  o 200.6000       3.740000      2459.406      -169.3 
1 1 1 3  10 4  o 339.2000       5.969000      2610.107      -101.3 
1 1 1 3  10 5  o 83.63000       1.894000      1977.585      102.4  
1 1 1 3  10 6  f 568.1000       12.01000      3192.367      -14.3  
1 1 1 3  10 7  o 172.2000       3.411000      1637.122      18.8   
1 1 1 3  10 8  o 62.91000       1.300000      1522.896      134.3  
1 1 1 3  10 9  o 285.1000       5.627000      1620.463      142.4  
1 1 1 3  10 10 o 16.33000       0.5246000     625.3886      116.4  
1 1 1 3  10 11 o 78.29000       1.621000      612.3990      69.9   
1 1 1 3  10 12 o 368.0000       8.367000      2915.904      74.1   
1 1 1 3  10 13 o 99.21000       2.601000      1020.649      -171.0 
1 1 1 3  10 14 o 24.41000       0.7170000     865.8550      130.4  
1 1 1 3  10 15 o 137.8000       2.792000      1851.828      -41.5  
1 1 1 3  10 16 o 132.4000       2.698000      1245.153      -56.3  
1 1 1 3  10 17 o 54.43000       1.234000      707.9973      -114.7 
1 1 1 3  10 18 o 54.00000       1.243000      967.1536      30.8   
1 1 1 3  10 19 o 66.59000       1.489000      1412.239      -153.7 
1 1 1 3  10 20 o 809.6000       17.24000      ?             ?      
1 1 1 3  10 21 o 177.9000       4.187000      1795.218      -19.5  
1 1 1 3  10 22 o 268.4000       6.974000      2697.942      -174.5 
1 1 1 3  10 23 o 78.57000       2.319000      1155.071      16.5   
1 1 1 3  10 24 o 70.81000       2.044000      970.5284      84.4   
1 1 1 3  10 25 o 282.8000       5.685000      2408.567      171.4  
1 1 1 3  10 26 o 446.8000       8.878000      3031.368      146.0  
1 1 1 3  10 27 o 671.0000       13.26000      3865.534      -78.3  
1 1 1 3  10 28 o 225.6000       4.616000      2281.557      116.3  
1 1 1 3  10 29 o 22.75000       1.043000      1025.349      167.0  
1 1 1 3  10 30 o 27.94000       1.296000      683.2676      113.7  
1 1 1 3  10 31 o 29.60000       1.583000      553.6769      145.6  
1 1 1 3  10 32 o 144.7000       3.152000      1921.614      -104.9 
1 1 1 3  10 33 o 673.2000       13.35000      3482.257      -109.8 
1 1 1 3  10 34 o 55.25000       1.624000      1040.264      71.6   
1 1 1 3  10 35 o 707.3000       14.01000      ?             ?      
1 1 1 3  10 36 o 21.08000       1.190000      996.6967      -125.9 
1 1 1 3  10 37 o 27.94000       1.247000      890.7100      -27.6  
1 1 1 3  10 38 o 37.78000       1.375000      911.4598      -161.7 
1 1 1 3  10 39 o 69.07000       2.306000      1072.244      163.8  
1 1 1 3  10 40 o 94.00000       3.311000      1195.783      -119.6 
1 1 1 3  10 41 o 41.55000       1.682000      680.8784      -105.2 
1 1 1 3  10 42 o 125.7000       2.859000      1812.960      -26.6  
1 1 1 3  10 43 o 40.54000       1.419000      1112.598      99.3   
1 1 1 3  10 44 o 27.06000       1.262000      809.7464      94.2   
1 1 1 3  10 45 o 10.70000       1.093000      537.8943      -48.7  
1 1 1 3  10 46 o 56.45000       1.925000      986.5190      139.5  
1 1 1 3  10 47 o 29.82000       1.738000      923.1320      -140.0 
1 1 1 3  10 48 o 11.20000       1.264000      258.4341      34.3   
1 1 1 3  10 49 o 11.97000       1.162000      307.3856      -140.2 
1 1 1 3  10 50 o 20.62000       1.282000      449.5277      160.2  
1 1 1 3  10 51 o 11.18000       1.214000      275.0582      81.2   
1 1 1 3  10 52 o 49.57000       1.723000      948.2795      4.9    
1 1 1 3  10 53 o 45.81000       1.693000      893.5463      141.1  
1 1 1 3  10 54 o 23.38000       1.425000      818.4767      -44.9  
1 1 1 3  10 55 o 5.385000       1.418000      90.82143      -17.0  
1 1 1 3  10 56 o 2.840000       1.884000      223.9254      160.8  
1 1 1 3  10 57 o 26.19000       1.825000      692.0307      34.2   
1 1 1 3  10 58 o 35.35000       1.719000      843.1375      -39.1  
1 1 1 3  10 59 o 7.323000       1.446000      375.8312      -149.9 
1 1 1 3  10 60 o 43.03000       1.853000      ?             ?      
1 1 1 3  10 61 o 12.56000       1.695000      415.3279      -72.4  
1 1 1 3  10 62 o 20.00000       2.105000      ?             ?      
1 1 1 3  10 63 o 38.05000       2.013000      ?             ?      
1 1 1 3  10 64 o 8.529000       1.438000      ?             ?      
1 1 1 3  10 65 o 4.843000       1.421000      ?             ?      
1 1 1 3  10 66 o 13.30000       1.490000      ?             ?      
1 1 1 3  10 67 o 2.402000       1.413000      ?             ?      
1 1 1 3  10 68 o 9.196000       1.545000      ?             ?      
1 1 1 3  10 69 o 4.030000       1.604000      ?             ?      
1 1 1 3  10 70 o 4.662000       2.317000      ?             ?      
1 1 1 3  10 71 o 6.458000       2.666000      ?             ?      
1 1 1 3  10 72 o 11.88000       1.767000      ?             ?      
1 1 1 3  10 73 o 1.323000       1.441000      ?             ?      
1 1 1 3  10 74 o 2.512000       1.599000      ?             ?      
1 1 1 3  10 75 o 0.6919000E-01  1.704000      ?             ?      
1 1 1 3  10 76 o 2.138000       1.717000      ?             ?      
1 1 1 3  11 0  o 1.734000       0.3115000     407.0201      -90.0  
1 1 1 3  11 1  o 211.4000       4.164000      1758.542      60.7   
1 1 1 3  11 2  o 55.16000       1.130000      696.2423      -74.6  
1 1 1 3  11 3  o 268.2000       5.429000      1571.732      108.7  
1 1 1 3  11 4  o 283.2000       5.278000      1834.517      26.6   
1 1 1 3  11 5  o 21.01000       0.5624000     252.7138      151.3  
1 1 1 3  11 6  o 41.44000       0.9103000     777.5627      -106.6 
1 1 1 3  11 7  o 272.4000       5.368000      2211.472      -173.6 
1 1 1 3  11 8  o 4.989000       0.2431000     416.1031      -94.8  
1 1 1 3  11 9  o 9.450000       0.3327000     438.3761      -97.4  
1 1 1 3  11 10 f 117.6000       2.371000      1984.752      106.4  
1 1 1 3  11 11 o 154.8000       3.563000      1133.122      -90.8  
1 1 1 3  11 12 o 80.64000       2.309000      976.9448      -57.8  
1 1 1 3  11 13 o 48.61000       1.236000      1410.830      115.2  
1 1 1 3  11 14 o 10.50000       0.4660000     912.0608      -20.6  
1 1 1 3  11 15 o 53.00000       1.186000      885.7496      84.4   
1 1 1 3  11 16 o 107.6000       2.223000      1139.567      7.9    
1 1 1 3  11 17 o 86.84000       2.001000      1312.198      94.3   
1 1 1 3  11 18 o 4.820000       0.5972000     239.8108      -156.0 
1 1 1 3  11 19 o 181.9000       3.985000      1764.297      -87.6  
1 1 1 3  11 20 o 27.32000       0.9157000     718.5118      15.7   
1 1 1 3  11 21 o 781.0000       17.75000      4328.615      -164.3 
1 1 1 3  11 22 o 551.3000       12.59000      3740.005      -56.8  
1 1 1 3  11 23 o 224.6000       6.458000      2311.764      -155.6 
1 1 1 3  11 24 o 87.59000       2.118000      1443.308      3.6    
1 1 1 3  11 25 o 652.2000       12.88000      3989.062      144.2  
1 1 1 3  11 26 o 44.88000       1.270000      788.4047      115.3  
1 1 1 3  11 27 f 149.1000       3.153000      1491.917      -93.9  
1 1 1 3  11 28 o 42.80000       1.295000      1376.541      -5.2   
1 1 1 3  11 29 o 153.2000       3.739000      2354.846      131.6  
1 1 1 3  11 30 o 81.84000       2.714000      1422.270      -159.1 
1 1 1 3  11 31 o 90.33000       2.471000      1140.356      131.7  
1 1 1 3  11 32 o 335.1000       6.769000      2824.686      -139.5 
1 1 1 3  11 33 o 603.0000       11.97000      3713.006      -27.6  
1 1 1 3  11 34 o 203.0000       4.251000      1874.523      -73.8  
1 1 1 3  11 35 o 35.66000       1.357000      828.4235      -54.9  
1 1 1 3  11 36 o 105.4000       2.473000      1769.255      -18.1  
1 1 1 3  11 37 o 52.49000       1.587000      1295.803      151.1  
1 1 1 3  11 38 o 280.2000       5.742000      2509.353      18.6   
1 1 1 3  11 39 o 68.38000       1.841000      1204.482      27.4   
1 1 1 3  11 40 o 26.47000       1.484000      749.6635      125.6  
1 1 1 3  11 41 o 29.48000       1.749000      811.9598      120.1  
1 1 1 3  11 42 o 14.37000       1.135000      839.0503      -140.9 
1 1 1 3  11 43 o 9.788000       1.057000      443.7331      -86.3  
1 1 1 3  11 44 o 116.2000       2.701000      1649.400      -156.1 
1 1 1 3  11 45 o 129.9000       2.965000      1722.675      165.2  
1 1 1 3  11 46 o 45.54000       1.740000      896.7192      151.9  
1 1 1 3  11 47 o 31.34000       1.530000      1072.946      86.7   
1 1 1 3  11 48 o 16.85000       1.204000      448.6589      -26.7  
1 1 1 3  11 49 o 48.91000       1.626000      951.8203      153.2  
1 1 1 3  11 50 o 8.482000       1.166000      506.5306      6.0    
1 1 1 3  11 51 o 7.321000       1.196000      398.7702      104.8  
1 1 1 3  11 52 o 88.84000       2.354000      ?             ?      
1 1 1 3  11 53 o 67.67000       2.015000      1114.029      28.6   
1 1 1 3  11 54 o 48.54000       1.746000      1128.435      -76.9  
1 1 1 3  11 55 o 4.901000       1.293000      247.8432      60.0   
1 1 1 3  11 56 o 19.95000       1.761000      551.2466      -58.2  
1 1 1 3  11 57 o 6.860000       1.924000      232.3452      -111.7 
1 1 1 3  11 58 o 7.111000       1.524000      460.0918      154.9  
1 1 1 3  11 59 o 7.519000       1.444000      532.7198      14.7   
1 1 1 3  11 60 o 8.084000       1.480000      273.8246      38.3   
1 1 1 3  11 61 o 17.36000       1.742000      ?             ?      
1 1 1 3  11 62 o 34.78000       2.003000      ?             ?      
1 1 1 3  11 63 o 1.356000       1.406000      ?             ?      
1 1 1 3  11 64 o 3.573000       1.394000      ?             ?      
1 1 1 3  11 65 o 8.928000       1.431000      ?             ?      
1 1 1 3  11 66 o 9.610000       1.451000      ?             ?      
1 1 1 3  11 67 o 8.708000       1.443000      ?             ?      
1 1 1 3  11 68 o 5.720000       1.391000      ?             ?      
1 1 1 3  11 69 o 2.175000       1.399000      ?             ?      
1 1 1 3  11 70 o 5.404000       1.650000      ?             ?      
1 1 1 3  11 71 o 3.773000       2.567000      ?             ?      
1 1 1 3  11 72 o 3.133000       2.327000      ?             ?      
1 1 1 3  11 74 o 4.164000       1.668000      ?             ?      
1 1 1 3  11 75 o 4.930000       1.919000      ?             ?      
1 1 1 3  11 76 o 3.391000       1.626000      ?             ?      
1 1 1 3  12 0  o 754.9000       20.91000      4206.059      90.0   
1 1 1 3  12 1  o 41.45000       0.8772000     1353.291      -121.2 
1 1 1 3  12 2  o 199.0000       3.926000      1708.700      177.1  
1 1 1 3  12 3  o 6.644000       0.2596000     586.3921      75.0   
1 1 1 3  12 4  o 129.9000       2.450000      1363.761      -67.6  
1 1 1 3  12 5  o 318.1000       5.958000      2309.125      40.3   
1 1 1 3  12 6  o 21.99000       0.5309000     508.4485      -136.7 
1 1 1 3  12 7  o 224.4000       4.776000      1768.664      173.2  
1 1 1 3  12 8  o 222.7000       4.407000      1948.834      -47.8  
1 1 1 3  12 9  o 12.78000       0.4318000     629.3305      -25.6  
1 1 1 3  12 10 o 30.92000       0.7214000     607.8218      65.1   
1 1 1 3  12 11 o 20.98000       0.6254000     1109.076      83.8   
1 1 1 3  12 12 o 84.51000       2.221000      1773.045      120.8  
1 1 1 3  12 13 o 101.2000       2.242000      1596.791      -126.6 
1 1 1 3  12 14 o 23.98000       0.7332000     581.9066      97.3   
1 1 1 3  12 15 o 105.0000       2.364000      1250.888      -4.8   
1 1 1 3  12 16 o 19.08000       0.7270000     554.8308      -118.5 
1 1 1 3  12 17 o 178.1000       3.894000      1834.550      -2.2   
1 1 1 3  12 18 o 38.02000       1.079000      945.5835      -58.7  
1 1 1 3  12 19 o 53.84000       1.377000      799.7673      -27.9  
1 1 1 3  12 20 o 353.3000       7.016000      2591.485      85.6   
1 1 1 3  12 21 o 233.7000       4.706000      2024.341      -53.8  
1 1 1 3  12 22 o 248.6000       5.401000      2577.823      -79.7  
1 1 1 3  12 23 o 296.7000       7.694000      2361.928      17.5   
1 1 1 3  12 24 o 726.4000       18.50000      3585.799      79.6   
1 1 1 3  12 25 o 70.09000       1.845000      1158.581      -87.7  
1 1 1 3  12 26 o 171.4000       3.561000      1643.091      -116.2 
1 1 1 3  12 27 o 198.8000       4.097000      1449.931      -150.1 
1 1 1 3  12 28 o 492.7000       9.798000      3215.684      116.3  
1 1 1 3  12 29 o 37.08000       1.428000      628.3714      25.5   
1 1 1 3  12 30 o 53.41000       1.770000      545.2413      -152.0 
1 1 1 3  12 31 o 67.48000       1.783000      1204.282      -66.9  
1 1 1 3  12 32 o 144.3000       3.149000      1535.062      -114.6 
1 1 1 3  12 33 o 230.6000       4.772000      2110.112      -22.1  
1 1 1 3  12 34 o 96.77000       2.298000      1369.153      83.6   
1 1 1 3  12 35 o 80.45000       2.026000      1394.944      -4.9   
1 1 1 3  12 36 o 227.6000       4.730000      2243.502      -134.8 
1 1 1 3  12 37 o 200.2000       4.211000      1596.097      93.9   
1 1 1 3  12 38 o 33.13000       1.307000      729.9421      100.1  
1 1 1 3  12 39 o 13.56000       1.083000      791.1680      159.5  
1 1 1 3  12 40 o 26.51000       1.436000      664.7004      151.3  
1 1 1 3  12 41 o 13.14000       1.664000      516.3206      -32.7  
1 1 1 3  12 42 o 63.21000       2.054000      1224.901      -48.4  
1 1 1 3  12 43 o 37.42000       1.388000      784.9661      -14.2  
1 1 1 3  12 44 o 71.34000       1.927000      1254.569      -124.5 
1 1 1 3  12 45 o 41.55000       1.653000      1098.034      -124.9 
1 1 1 3  12 46 o 7.095000       1.413000      357.5507      -155.3 
1 1 1 3  12 47 o 12.13000       1.283000      422.7100      -24.1  
1 1 1 3  12 48 o 81.55000       2.151000      1344.675      -141.2 
1 1 1 3  12 49 o 36.78000       1.462000      1166.935      151.0  
1 1 1 3  12 50 o 4.925000       1.161000      444.1371      -178.7 
1 1 1 3  12 51 o 21.16000       1.339000      724.8165      99.5   
1 1 1 3  12 52 o 94.54000       2.469000      ?             ?      
1 1 1 3  12 53 o 19.86000       1.360000      751.0205      90.9   
1 1 1 3  12 54 o 45.57000       1.708000      746.0240      -0.9   
1 1 1 3  12 55 o 2.125000       1.279000      215.7628      128.6  
1 1 1 3  12 56 o 30.97000       1.737000      808.6025      10.8   
1 1 1 3  12 57 o 30.15000       2.231000      932.3757      -25.1  
1 1 1 3  12 58 o 19.66000       1.763000      728.5115      38.5   
1 1 1 3  12 59 o 5.042000       1.432000      277.9218      -119.8 
1 1 1 3  12 61 o 5.694000       1.933000      ?             ?      
1 1 1 3  12 62 o 6.889000       1.652000      ?             ?      
1 1 1 3  12 63 o 8.346000       1.435000      ?             ?      
1 1 1 3  12 64 o 17.89000       1.510000      ?             ?      
1 1 1 3  12 65 o 17.97000       1.500000      ?             ?      
1 1 1 3  12 66 o 14.12000       1.483000      ?             ?      
1 1 1 3  12 67 o 9.398000       1.431000      ?             ?      
1 1 1 3  12 68 o 5.845000       1.400000      ?             ?      
1 1 1 3  12 69 o 0.1581000      1.377000      ?             ?      
1 1 1 3  12 70 o 9.099000       1.460000      ?             ?      
1 1 1 3  12 71 o 8.201000       1.716000      ?             ?      
1 1 1 3  12 72 o -1.983000      2.410000      ?             ?      
1 1 1 3  12 73 o 0.8760000      1.860000      ?             ?      
1 1 1 3  12 75 o 1.456000       2.008000      ?             ?      
1 1 1 3  12 76 o 3.068000       2.502000      ?             ?      
1 1 1 3  13 0  o 0.9054000      0.3698000     754.4633      90.0   
1 1 1 3  13 1  o 25.50000       0.5954000     1006.917      81.6   
1 1 1 3  13 2  o 306.3000       6.025000      3159.432      -15.4  
1 1 1 3  13 3  o 18.97000       0.4716000     807.7217      138.7  
1 1 1 3  13 4  o 141.5000       2.661000      1512.330      70.9   
1 1 1 3  13 5  o 26.48000       0.5748000     752.8707      -76.5  
1 1 1 3  13 6  o 102.9000       2.379000      1407.878      -171.9 
1 1 1 3  13 7  o 54.57000       1.247000      1053.220      13.3   
1 1 1 3  13 8  o 1.696000       0.2207000     348.3239      -9.1   
1 1 1 3  13 9  o 8.090000       0.3807000     192.2774      76.4   
1 1 1 3  13 10 o 12.84000       0.4817000     683.5317      159.0  
1 1 1 3  13 11 o 201.1000       5.606000      2029.236      -47.0  
1 1 1 3  13 12 o 172.9000       4.464000      2319.294      56.3   
1 1 1 3  13 13 o 2.823000       0.4012000     129.6879      120.7  
1 1 1 3  13 14 o 23.32000       0.7210000     1073.966      -55.8  
1 1 1 3  13 15 o 65.00000       1.544000      1364.000      -140.0 
1 1 1 3  13 16 o 218.2000       5.056000      2409.436      -152.8 
1 1 1 3  13 17 o 786.1000       16.69000      ?             ?      
1 1 1 3  13 18 o 53.76000       1.337000      615.1769      2.3    
1 1 1 3  13 19 o 98.03000       2.082000      1264.756      -95.7  
1 1 1 3  13 20 o 76.94000       1.702000      1552.340      128.9  
1 1 1 3  13 21 o 330.0000       6.571000      2785.510      -163.1 
1 1 1 3  13 22 o 290.7000       5.817000      3079.911      -17.9  
1 1 1 3  13 23 o 110.1000       2.570000      1332.363      -151.1 
1 1 1 3  13 24 o 141.2000       3.891000      1840.866      88.7   
1 1 1 3  13 25 o 599.7000       12.83000      3544.488      -166.7 
1 1 1 3  13 26 o 175.9000       3.653000      1895.467      -7.3   
1 1 1 3  13 27 o 523.1000       10.38000      3090.520      -147.3 
1 1 1 3  13 28 o 291.0000       6.776000      2590.531      104.3  
1 1 1 3  13 29 o 37.14000       1.680000      883.8495      98.7   
1 1 1 3  13 30 o 218.9000       5.221000      2071.322      138.3  
1 1 1 3  13 31 o 7.555000       1.044000      516.8481      139.3  
1 1 1 3  13 32 o 77.02000       1.970000      1315.632      -20.6  
1 1 1 3  13 33 o 182.2000       3.868000      1775.881      -9.2   
1 1 1 3  13 34 o 253.7000       5.224000      1990.468      -15.6  
1 1 1 3  13 35 o 21.86000       1.178000      738.3431      -72.2  
1 1 1 3  13 36 o 156.9000       3.402000      1650.957      99.9   
1 1 1 3  13 37 o 128.8000       2.896000      1625.422      -112.3 
1 1 1 3  13 38 o 64.13000       1.759000      1315.587      49.3   
1 1 1 3  13 39 o 23.10000       1.176000      708.6317      -166.2 
1 1 1 3  13 40 o 51.68000       1.586000      751.9071      38.1   
1 1 1 3  13 41 o 15.49000       1.560000      890.2471      110.4  
1 1 1 3  13 42 o 44.52000       2.012000      1037.953      2.5    
1 1 1 3  13 43 o 49.16000       1.587000      839.4639      -22.4  
1 1 1 3  13 44 f 39.69000       1.431000      947.4159      161.0  
1 1 1 3  13 45 o 86.91000       2.823000      1366.480      -54.1  
1 1 1 3  13 46 o 8.614000       1.247000      346.4016      23.6   
1 1 1 3  13 47 o 19.59000       1.228000      618.0838      61.4   
1 1 1 3  13 48 o 83.85000       2.194000      1298.406      -120.3 
1 1 1 3  13 49 o 29.30000       1.358000      914.5468      17.8   
1 1 1 3  13 50 o 16.16000       1.243000      630.7697      0.9    
1 1 1 3  13 51 o 69.84000       2.017000      1141.737      34.6   
1 1 1 3  13 52 o 62.16000       1.928000      1015.892      -126.3 
1 1 1 3  13 53 o 21.91000       1.383000      770.2705      64.5   
1 1 1 3  13 54 o 20.53000       1.395000      672.3969      -166.3 
1 1 1 3  13 55 o 40.16000       1.662000      1026.638      44.5   
1 1 1 3  13 56 o 17.32000       1.448000      714.3080      109.5  
1 1 1 3  13 57 o 0.9057000      1.654000      225.4261      120.2  
1 1 1 3  13 58 o 1.149000       1.895000      397.7458      153.1  
1 1 1 3  13 59 o 50.17000       2.077000      ?             ?      
1 1 1 3  13 60 o 7.351000       1.656000      377.8195      83.9   
1 1 1 3  13 61 o -1.545000      1.615000      ?             ?      
1 1 1 3  13 62 o 18.98000       1.562000      ?             ?      
1 1 1 3  13 63 o 4.619000       1.414000      ?             ?      
1 1 1 3  13 64 o 4.547000       1.397000      ?             ?      
1 1 1 3  13 65 o 1.999000       1.366000      ?             ?      
1 1 1 3  13 66 o 3.596000       1.407000      ?             ?      
1 1 1 3  13 67 o 2.399000       1.388000      ?             ?      
1 1 1 3  13 68 o 1.878000       1.384000      ?             ?      
1 1 1 3  13 69 o 6.241000       1.405000      ?             ?      
1 1 1 3  13 70 o 4.291000       1.403000      ?             ?      
1 1 1 3  13 71 o 0.7483000      1.541000      ?             ?      
1 1 1 3  13 72 o 0.4987000      1.912000      ?             ?      
1 1 1 3  13 73 o 2.422000       1.994000      ?             ?      
1 1 1 3  13 74 o 5.460000       2.054000      ?             ?      
1 1 1 3  13 75 o 0.4081000      1.686000      ?             ?      
1 1 1 3  14 0  o 157.2000       4.412000      2189.059      90.0   
1 1 1 3  14 1  o 16.88000       0.4608000     714.9882      70.3   
1 1 1 3  14 2  o 185.9000       3.679000      1653.611      -164.3 
1 1 1 3  14 3  o 20.90000       0.5202000     725.3727      78.5   
1 1 1 3  14 4  o 6.483000       0.2779000     322.2345      -1.7   
1 1 1 3  14 5  o 361.5000       6.747000      3006.373      126.4  
1 1 1 3  14 6  o 56.25000       1.212000      666.7459      -98.1  
1 1 1 3  14 7  o 107.9000       2.234000      1340.538      -32.7  
1 1 1 3  14 8  o 2.095000       0.2862000     278.5059      -53.3  
1 1 1 3  14 9  o 116.9000       2.898000      1224.624      -91.5  
1 1 1 3  14 11 o 14.63000       0.6458000     781.8632      -177.7 
1 1 1 3  14 12 o 40.24000       1.071000      1137.304      39.1   
1 1 1 3  14 13 o 99.78000       2.394000      1148.710      -2.0   
1 1 1 3  14 14 o 54.87000       1.327000      1090.928      -0.8   
1 1 1 3  14 15 o 150.7000       3.310000      2151.029      -60.0  
1 1 1 3  14 16 o 435.5000       8.598000      3096.084      -46.4  
1 1 1 3  14 17 o 155.1000       3.158000      2190.192      -39.7  
1 1 1 3  14 18 o 37.30000       0.9639000     1173.670      -32.1  
1 1 1 3  14 19 o 53.28000       1.354000      1005.089      15.7   
1 1 1 3  14 20 o 55.04000       1.306000      921.9574      5.7    
1 1 1 3  14 21 o 205.1000       4.153000      2332.031      -93.9  
1 1 1 3  14 22 o 37.90000       1.061000      821.4601      0.3    
1 1 1 3  14 23 o 202.1000       4.463000      2218.069      84.5   
1 1 1 3  14 24 o 567.1000       14.53000      3391.151      -3.2   
1 1 1 3  14 25 o 302.2000       7.904000      2269.965      -109.2 
1 1 1 3  14 26 o 258.6000       5.659000      2033.180      -91.0  
1 1 1 3  14 27 o 448.2000       8.926000      2451.477      114.0  
1 1 1 3  14 28 o 42.44000       1.723000      907.2893      144.7  
1 1 1 3  14 29 o 12.35000       1.138000      371.9142      110.7  
1 1 1 3  14 30 o 13.75000       1.073000      253.0638      61.6   
1 1 1 3  14 31 o 13.91000       1.107000      690.0942      38.9   
1 1 1 3  14 32 o 221.1000       4.603000      2343.395      44.5   
1 1 1 3  14 33 o 57.63000       1.648000      1210.090      89.7   
1 1 1 3  14 34 o 75.65000       1.944000      843.5368      166.2  
1 1 1 3  14 35 o 215.4000       4.503000      2012.868      90.7   
1 1 1 3  14 36 o 215.6000       4.511000      1819.865      99.5   
1 1 1 3  14 37 o 42.19000       1.423000      858.1768      142.8  
1 1 1 3  14 38 o 19.53000       1.133000      741.7604      -29.6  
1 1 1 3  14 39 o 227.1000       4.737000      2279.192      -145.5 
1 1 1 3  14 40 o 38.94000       1.388000      774.0245      30.1   
1 1 1 3  14 41 o 6.335000       1.165000      299.2719      109.1  
1 1 1 3  14 42 o 32.11000       2.005000      855.9782      11.0   
1 1 1 3  14 43 o 8.523000       1.241000      386.0529      76.2   
1 1 1 3  14 44 o 75.91000       2.274000      1215.371      102.9  
1 1 1 3  14 45 o 42.02000       1.957000      749.3860      -177.6 
1 1 1 3  14 46 o 5.636000       1.213000      276.3585      20.1   
1 1 1 3  14 47 o 5.035000       1.176000      214.9259      105.3  
1 1 1 3  14 48 o 20.09000       1.237000      623.5056      -155.2 
1 1 1 3  14 49 o 11.68000       1.173000      451.4351      127.3  
1 1 1 3  14 50 o 24.67000       1.341000      787.7596      80.4   
1 1 1 3  14 51 o 23.93000       1.346000      500.7196      4.8    
1 1 1 3  14 52 o 18.12000       1.308000      475.5688      -165.7 
1 1 1 3  14 53 o 2.977000       1.233000      174.2213      56.7   
1 1 1 3  14 54 o 7.638000       1.281000      541.5115      123.9  
1 1 1 3  14 55 o 15.72000       1.382000      573.2078      -95.0  
1 1 1 3  14 56 o 4.659000       1.348000      269.4857      25.4   
1 1 1 3  14 57 o 35.45000       1.866000      958.6683      -155.7 
1 1 1 3  14 58 o 2.509000       2.381000      137.0065      74.4   
1 1 1 3  14 59 o 10.09000       2.027000      418.3667      -35.1  
1 1 1 3  14 60 o 3.707000       1.934000      109.4265      -15.4  
1 1 1 3  14 61 o 12.59000       1.681000      ?             ?      
1 1 1 3  14 62 o 3.275000       1.407000      ?             ?      
1 1 1 3  14 63 o 0.7906000      1.382000      ?             ?      
1 1 1 3  14 64 o 7.206000       1.410000      ?             ?      
1 1 1 3  14 65 o 0.8648000      1.363000      ?             ?      
1 1 1 3  14 66 o 9.133000       1.437000      ?             ?      
1 1 1 3  14 67 o 2.073000       1.367000      ?             ?      
1 1 1 3  14 68 o 0.5455000      1.369000      ?             ?      
1 1 1 3  14 69 o 1.690000       1.387000      ?             ?      
1 1 1 3  14 70 o 1.555000       1.393000      ?             ?      
1 1 1 3  14 71 o 1.508000       1.421000      ?             ?      
1 1 1 3  14 72 o 1.203000       1.658000      ?             ?      
1 1 1 3  14 73 o 4.455000       2.570000      ?             ?      
1 1 1 3  14 74 o -1.914000      1.678000      ?             ?      
1 1 1 3  14 75 o 4.719000       1.497000      ?             ?      
1 1 1 3  15 0  o 211.4000       5.911000      2031.807      -90.0  
1 1 1 3  15 1  o 2.886000       0.3014000     297.3852      -76.3  
1 1 1 3  15 2  o 8.234000       0.3459000     541.5986      3.9    
1 1 1 3  15 3  o 32.38000       0.7314000     814.3304      -32.6  
1 1 1 3  15 4  o 110.7000       2.223000      1230.319      30.4   
1 1 1 3  15 5  o 58.70000       1.335000      766.5187      -36.7  
1 1 1 3  15 6  o 75.67000       1.686000      1280.780      -65.4  
1 1 1 3  15 7  o 17.23000       0.6868000     802.7898      -7.9   
1 1 1 3  15 8  o 40.44000       1.057000      1136.075      104.9  
1 1 1 3  15 9  o 122.0000       3.494000      1073.379      -59.6  
1 1 1 3  15 10 o 161.5000       9.015000      1658.900      7.4    
1 1 1 3  15 11 o 12.10000       0.4942000     732.4267      150.3  
1 1 1 3  15 12 o 61.46000       1.437000      1219.969      -2.5   
1 1 1 3  15 13 o 78.61000       1.648000      1667.351      -102.3 
1 1 1 3  15 14 o 44.59000       1.125000      738.9839      68.3   
1 1 1 3  15 15 o 42.19000       1.096000      454.9241      39.8   
1 1 1 3  15 16 o 97.42000       2.043000      1082.552      -108.6 
1 1 1 3  15 17 o 167.2000       3.389000      1682.240      -59.5  
1 1 1 3  15 18 o 76.72000       1.674000      1333.985      93.1   
1 1 1 3  15 19 o 111.1000       2.332000      1382.171      -103.7 
1 1 1 3  15 20 o 6.089000       0.5891000     478.2636      59.5   
1 1 1 3  15 21 o 100.8000       2.168000      1675.417      154.9  
1 1 1 3  15 22 o 70.21000       1.623000      1612.953      -0.6   
1 1 1 3  15 23 o 141.2000       2.964000      1613.893      93.6   
1 1 1 3  15 24 o 3.144000       0.8366000     422.8063      -76.5  
1 1 1 3  15 25 o 31.25000       1.538000      611.2530      -15.2  
1 1 1 3  15 26 o 75.40000       1.971000      1136.214      -168.0 
1 1 1 3  15 27 o 53.95000       1.661000      1298.875      148.4  
1 1 1 3  15 28 o 80.62000       2.650000      1240.780      108.9  
1 1 1 3  15 29 o 247.9000       5.855000      2022.383      121.6  
1 1 1 3  15 30 o 21.99000       1.152000      872.6495      171.5  
1 1 1 3  15 31 o 204.8000       4.294000      2179.197      -177.2 
1 1 1 3  15 32 o 11.56000       1.065000      190.8835      -51.6  
1 1 1 3  15 33 o 77.11000       1.953000      1482.600      -58.9  
1 1 1 3  15 34 o 16.89000       1.110000      703.9361      8.3    
1 1 1 3  15 35 o 29.41000       1.250000      681.5826      154.2  
1 1 1 3  15 36 o 97.65000       2.330000      1443.129      -127.8 
1 1 1 3  15 37 o 34.29000       1.306000      824.7448      -132.4 
1 1 1 3  15 38 o 148.1000       3.242000      2118.284      17.1   
1 1 1 3  15 39 o 30.11000       1.248000      628.5994      -150.2 
1 1 1 3  15 40 o 108.0000       2.531000      1643.975      -65.0  
1 1 1 3  15 41 o 50.83000       1.583000      1011.328      162.7  
1 1 1 3  15 42 o 13.23000       1.566000      379.3260      72.8   
1 1 1 3  15 43 o 1.702000       1.485000      167.0019      12.6   
1 1 1 3  15 44 o 47.22000       1.778000      1039.870      -64.8  
1 1 1 3  15 45 o 11.42000       1.269000      434.2433      -84.1  
1 1 1 3  15 46 o 1.368000       1.062000      107.6766      126.7  
1 1 1 3  15 47 o 3.783000       1.080000      260.0199      -45.6  
1 1 1 3  15 48 o 4.494000       1.107000      347.9972      136.3  
1 1 1 3  15 49 o 47.74000       1.631000      930.7847      0.5    
1 1 1 3  15 50 o 31.66000       1.428000      781.2716      -87.7  
1 1 1 3  15 51 o 3.541000       1.174000      217.0289      -122.7 
1 1 1 3  15 52 o 13.92000       1.269000      458.6668      -101.2 
1 1 1 3  15 53 o 6.717000       1.253000      453.2764      14.2   
1 1 1 3  15 54 o 9.172000       1.288000      491.5761      110.6  
1 1 1 3  15 55 o 2.475000       1.307000      164.2959      -6.0   
1 1 1 3  15 56 o 7.453000       1.381000      269.2307      140.4  
1 1 1 3  15 57 o 26.92000       1.599000      839.3034      -141.6 
1 1 1 3  15 58 o 8.831000       1.748000      484.1244      141.1  
1 1 1 3  15 59 o 10.78000       2.665000      581.7614      118.6  
1 1 1 3  15 60 o 15.20000       1.760000      ?             ?      
1 1 1 3  15 61 o 12.10000       1.484000      ?             ?      
1 1 1 3  15 62 o 1.782000       1.388000      ?             ?      
1 1 1 3  15 63 o 8.490000       1.556000      ?             ?      
1 1 1 3  15 64 o 3.537000       1.366000      ?             ?      
1 1 1 3  15 65 o 7.113000       1.412000      ?             ?      
1 1 1 3  15 67 o 4.989000       1.376000      ?             ?      
1 1 1 3  15 68 o 1.276000       1.372000      ?             ?      
1 1 1 3  15 69 o 2.662000       1.373000      ?             ?      
1 1 1 3  15 70 o 4.458000       1.424000      ?             ?      
1 1 1 3  15 71 o 1.025000       1.411000      ?             ?      
1 1 1 3  15 72 o 3.760000       2.003000      ?             ?      
1 1 1 3  15 74 o 2.691000       2.024000      ?             ?      
1 1 1 3  15 75 o 0.7078000      2.088000      ?             ?      
1 1 1 3  16 0  o 0.2794000      0.4466000     201.5513      90.0   
1 1 1 3  16 1  o 23.60000       0.5961000     866.7941      96.9   
1 1 1 3  16 2  o 39.71000       0.8806000     1045.156      143.1  
1 1 1 3  16 3  o 8.903000       0.3659000     554.6677      9.4    
1 1 1 3  16 4  o 29.61000       0.7576000     709.0714      28.1   
1 1 1 3  16 5  o 56.11000       1.384000      1278.229      67.5   
1 1 1 3  16 6  o 22.41000       0.6823000     559.4166      -9.7   
1 1 1 3  16 7  o 48.41000       1.410000      946.8730      124.4  
1 1 1 3  16 8  o 27.25000       1.088000      862.6845      -172.9 
1 1 1 3  16 9  o 32.29000       1.360000      598.1003      34.2   
1 1 1 3  16 10 o 53.41000       2.304000      1004.037      48.1   
1 1 1 3  16 11 o 3.518000       0.4164000     297.6737      46.0   
1 1 1 3  16 12 o 57.36000       1.352000      1223.592      -100.6 
1 1 1 3  16 13 o 24.70000       0.7236000     1085.778      26.1   
1 1 1 3  16 14 o 35.06000       0.9365000     485.7946      -113.1 
1 1 1 3  16 15 o 64.75000       1.534000      1044.495      -45.4  
1 1 1 3  16 16 o 81.76000       1.744000      1254.782      -1.3   
1 1 1 3  16 17 o 224.7000       4.500000      1957.211      -78.5  
1 1 1 3  16 18 o 11.15000       0.5696000     554.7421      -2.6   
1 1 1 3  16 19 o 14.22000       0.6481000     871.8096      171.2  
1 1 1 3  16 20 o 84.62000       1.852000      1599.321      -139.5 
1 1 1 3  16 21 o 144.5000       2.999000      1800.740      145.4  
1 1 1 3  16 22 o 28.44000       0.9414000     1103.636      103.8  
1 1 1 3  16 23 o 18.15000       0.8411000     670.6795      103.8  
1 1 1 3  16 24 o 44.02000       1.359000      1269.025      13.3   
1 1 1 3  16 25 o 18.94000       1.362000      262.1208      -172.4 
1 1 1 3  16 26 o 5.504000       1.309000      729.9025      168.2  
1 1 1 3  16 27 o 21.40000       1.318000      676.4893      -132.3 
1 1 1 3  16 28 o 221.5000       5.279000      2186.430      -130.6 
1 1 1 3  16 29 o 129.8000       2.886000      1511.829      -88.1  
1 1 1 3  16 30 o 121.5000       2.734000      1535.948      -64.4  
1 1 1 3  16 31 o 137.4000       3.030000      2076.143      73.1   
1 1 1 3  16 32 o 53.73000       1.573000      1107.530      73.3   
1 1 1 3  16 33 o 78.14000       1.982000      1205.146      98.8   
1 1 1 3  16 34 o 92.44000       2.221000      1436.404      42.6   
1 1 1 3  16 35 o 16.69000       1.089000      880.2985      45.7   
1 1 1 3  16 36 o 66.20000       1.781000      1259.530      44.6   
1 1 1 3  16 37 o 18.46000       1.103000      610.2917      -176.4 
1 1 1 3  16 38 o 16.30000       1.078000      585.0604      -111.5 
1 1 1 3  16 39 o 78.21000       1.997000      1292.973      50.5   
1 1 1 3  16 40 o 25.24000       1.187000      790.9250      -51.3  
1 1 1 3  16 41 o 28.10000       1.231000      500.4993      139.8  
1 1 1 3  16 42 o 11.02000       1.210000      796.2515      36.3   
1 1 1 3  16 43 o 19.55000       2.541000      562.5816      -81.5  
1 1 1 3  16 44 o 11.80000       1.783000      514.7252      83.0   
1 1 1 3  16 45 o 9.872000       1.248000      361.4690      -19.9  
1 1 1 3  16 46 o 40.57000       1.476000      930.4582      66.2   
1 1 1 3  16 47 o 5.978000       1.149000      276.3504      -15.9  
1 1 1 3  16 48 o 15.10000       1.195000      463.7623      114.9  
1 1 1 3  16 49 o 7.914000       1.172000      357.6323      64.0   
1 1 1 3  16 50 o 111.5000       2.737000      ?             ?      
1 1 1 3  16 51 o 2.855000       1.183000      186.1103      -51.5  
1 1 1 3  16 52 o 22.67000       1.383000      666.0804      91.5   
1 1 1 3  16 53 o 8.001000       1.263000      372.5479      40.0   
1 1 1 3  16 54 o 4.004000       1.274000      350.6804      167.7  
1 1 1 3  16 55 o 48.22000       1.821000      1078.419      -102.9 
1 1 1 3  16 56 o 4.293000       1.360000      283.6167      113.6  
1 1 1 3  16 57 o 4.715000       1.425000      289.4484      160.6  
1 1 1 3  16 58 o 21.03000       2.003000      621.8890      18.8   
1 1 1 3  16 60 o 0.9181000      1.968000      ?             ?      
1 1 1 3  16 61 o 11.67000       1.456000      ?             ?      
1 1 1 3  16 62 o 8.928000       1.423000      ?             ?      
1 1 1 3  16 63 o 13.55000       1.455000      ?             ?      
1 1 1 3  16 64 o 0.2821000      1.347000      ?             ?      
1 1 1 3  16 65 o 2.727000       1.362000      ?             ?      
1 1 1 3  16 66 o 4.943000       1.374000      ?             ?      
1 1 1 3  16 67 o 1.597000       1.353000      ?             ?      
1 1 1 3  16 68 o 0.9141000      1.369000      ?             ?      
1 1 1 3  16 69 o -0.9617000     1.361000      ?             ?      
1 1 1 3  16 70 o 6.758000       1.430000      ?             ?      
1 1 1 3  16 71 o 4.055000       1.427000      ?             ?      
1 1 1 3  16 72 o 1.325000       1.612000      ?             ?      
1 1 1 3  16 73 o -0.1848000E-01 2.066000      ?             ?      
1 1 1 3  16 74 o 3.684000       1.712000      ?             ?      
1 1 1 3  16 75 o 5.259000       2.079000      ?             ?      
1 1 1 3  17 0  o 0.2227000E-01  0.4899000     120.1246      -90.0  
1 1 1 3  17 1  o 19.71000       0.6016000     705.0691      123.4  
1 1 1 3  17 2  o 16.54000       0.5789000     427.8420      -92.4  
1 1 1 3  17 3  o 10.84000       0.4468000     238.5419      -98.1  
1 1 1 3  17 4  o 36.52000       0.9074000     991.5164      12.3   
1 1 1 3  17 5  o 2.079000       0.3456000     131.3580      142.7  
1 1 1 3  17 6  o 1.943000       0.3062000     88.05399      -71.3  
1 1 1 3  17 7  o 53.53000       1.459000      1106.154      -153.8 
1 1 1 3  17 8  o 5.688000       0.6849000     299.8828      144.6  
1 1 1 3  17 9  o 62.39000       1.679000      1410.484      -56.7  
1 1 1 3  17 10 o 10.73000       0.4799000     316.2605      -9.3   
1 1 1 3  17 11 o 11.48000       0.4960000     592.9883      -77.9  
1 1 1 3  17 12 o 25.26000       0.7856000     703.9298      -12.1  
1 1 1 3  17 13 o 23.91000       0.7020000     442.1397      16.9   
1 1 1 3  17 14 o 21.68000       0.6903000     544.3132      49.0   
1 1 1 3  17 15 o 182.9000       3.673000      1981.112      -64.6  
1 1 1 3  17 16 o 35.97000       0.9008000     928.0386      -69.9  
1 1 1 3  17 17 o 134.4000       2.755000      1503.393      -95.1  
1 1 1 3  17 18 o 75.12000       1.645000      1081.575      -15.5  
1 1 1 3  17 19 o 18.37000       0.7076000     576.0805      -16.9  
1 1 1 3  17 20 o 31.77000       0.9384000     716.1364      1.9    
1 1 1 3  17 21 o 139.2000       2.903000      1568.467      147.8  
1 1 1 3  17 22 o 4.233000       0.6861000     358.9332      -69.7  
1 1 1 3  17 23 o 43.22000       1.213000      863.7655      -107.2 
1 1 1 3  17 24 o 116.4000       2.533000      1572.420      -155.1 
1 1 1 3  17 25 o 6.948000       0.9579000     497.7448      104.9  
1 1 1 3  17 26 o 54.12000       4.653000      1025.233      -15.2  
1 1 1 3  17 27 o 48.22000       2.310000      776.6647      -15.5  
1 1 1 3  17 28 o 73.78000       2.139000      990.4127      33.1   
1 1 1 3  17 29 o 9.081000       1.040000      392.4378      29.9   
1 1 1 3  17 30 o 33.96000       1.309000      1130.965      164.6  
1 1 1 3  17 31 o 27.21000       1.197000      737.7709      109.6  
1 1 1 3  17 32 o 17.44000       1.103000      482.0076      169.2  
1 1 1 3  17 33 o 6.812000       1.028000      187.1084      73.5   
1 1 1 3  17 34 o 74.10000       1.912000      1367.683      109.0  
1 1 1 3  17 35 o 14.19000       1.061000      516.1207      17.7   
1 1 1 3  17 36 o 48.91000       1.493000      1076.299      -110.5 
1 1 1 3  17 37 o 44.28000       1.421000      948.7186      114.6  
1 1 1 3  17 38 o 24.26000       1.151000      741.6693      -80.3  
1 1 1 3  17 39 o 9.170000       1.019000      584.9106      -70.2  
1 1 1 3  17 40 o 4.429000       0.9862000     201.0269      144.7  
1 1 1 3  17 41 o 17.57000       1.116000      744.9024      -29.3  
1 1 1 3  17 42 o 28.47000       1.404000      698.7520      100.3  
1 1 1 3  17 43 o 11.66000       2.107000      398.1949      23.4   
1 1 1 3  17 44 o 1.687000       2.115000      347.2588      -53.0  
1 1 1 3  17 45 o 5.111000       1.093000      380.0843      -171.0 
1 1 1 3  17 46 o 9.135000       1.112000      184.5177      84.3   
1 1 1 3  17 47 o 26.92000       1.314000      829.3433      159.8  
1 1 1 3  17 48 o 6.761000       1.136000      464.8241      49.4   
1 1 1 3  17 49 o 32.77000       1.453000      806.7089      -64.2  
1 1 1 3  17 50 o 4.033000       1.194000      367.4529      78.4   
1 1 1 3  17 51 o 57.49000       1.852000      1066.332      156.7  
1 1 1 3  17 52 o 27.86000       1.449000      680.8308      5.3    
1 1 1 3  17 53 o 3.606000       1.255000      271.3266      -110.6 
1 1 1 3  17 54 o -0.5120000     1.273000      67.75204      -127.9 
1 1 1 3  17 55 o 4.002000       1.339000      297.6214      -124.3 
1 1 1 3  17 56 o 17.53000       1.474000      560.6338      -28.2  
1 1 1 3  17 58 o 5.613000       1.590000      351.2981      -176.3 
1 1 1 3  17 59 o 1.914000       2.098000      ?             ?      
1 1 1 3  17 60 o -0.4067000     1.886000      ?             ?      
1 1 1 3  17 61 o 27.62000       1.750000      ?             ?      
1 1 1 3  17 62 o 2.129000       1.356000      ?             ?      
1 1 1 3  17 63 o 5.170000       1.377000      ?             ?      
1 1 1 3  17 64 o 4.185000       1.364000      ?             ?      
1 1 1 3  17 65 o 0.8975000      1.346000      ?             ?      
1 1 1 3  17 66 o 7.285000       1.387000      ?             ?      
1 1 1 3  17 67 o 5.140000       1.385000      ?             ?      
1 1 1 3  17 68 o 2.937000       1.366000      ?             ?      
1 1 1 3  17 69 o -1.072000      1.365000      ?             ?      
1 1 1 3  17 70 o 3.678000       1.414000      ?             ?      
1 1 1 3  17 71 o 6.593000       1.633000      ?             ?      
1 1 1 3  17 72 o -2.077000      1.908000      ?             ?      
1 1 1 3  17 73 o -2.645000      2.924000      ?             ?      
1 1 1 3  17 74 o 1.858000       1.960000      ?             ?      
1 1 1 3  18 0  o 0.6338000E-01  0.5837000     12.23528      90.0   
1 1 1 3  18 1  o 12.56000       0.6022000     647.0408      134.3  
1 1 1 3  18 2  o 3.919000       0.4673000     203.9376      -10.1  
1 1 1 3  18 3  o 15.63000       0.5602000     475.2351      14.6   
1 1 1 3  18 4  o 11.72000       0.4864000     430.2931      -75.5  
1 1 1 3  18 5  o 6.793000       0.3395000     507.5682      61.5   
1 1 1 3  18 6  f 15.98000       0.5273000     443.4781      -95.3  
1 1 1 3  18 7  o 9.188000       0.4561000     386.1085      170.3  
1 1 1 3  18 8  o 31.47000       1.397000      691.4877      -9.8   
1 1 1 3  18 9  o 4.991000       0.8299000     445.0811      -152.5 
1 1 1 3  18 10 o 15.98000       0.5596000     656.2981      -90.8  
1 1 1 3  18 11 o 36.73000       1.152000      893.4867      42.9   
1 1 1 3  18 12 o 12.35000       0.4834000     410.0105      10.8   
1 1 1 3  18 13 o 10.19000       0.4614000     341.6975      57.6   
1 1 1 3  18 14 o 10.84000       0.5370000     148.5623      -178.1 
1 1 1 3  18 15 o 29.49000       0.8573000     750.3197      75.8   
1 1 1 3  18 16 o 25.75000       0.8138000     574.6983      -27.6  
1 1 1 3  18 17 o 4.638000       0.4791000     304.5456      -21.9  
1 1 1 3  18 18 o 11.26000       0.6000000     444.9536      77.4   
1 1 1 3  18 19 o 60.38000       1.399000      1149.091      107.8  
1 1 1 3  18 20 o 5.191000       0.6080000     179.4458      172.1  
1 1 1 3  18 21 o 3.511000       0.6506000     181.5209      158.3  
1 1 1 3  18 22 o 31.49000       1.000000      826.1693      -117.6 
1 1 1 3  18 23 o 14.25000       0.8277000     717.4637      -111.3 
1 1 1 3  18 24 o 152.7000       3.219000      1925.982      35.6   
1 1 1 3  18 25 o 25.73000       1.182000      830.5696      -179.1 
1 1 1 3  18 26 o 5.324000       1.924000      74.83887      136.5  
1 1 1 3  18 27 o 17.30000       2.250000      621.7408      76.2   
1 1 1 3  18 28 o 76.99000       2.115000      1287.907      -117.1 
1 1 1 3  18 29 o 10.52000       1.053000      578.0729      -31.0  
1 1 1 3  18 30 o 44.06000       1.440000      809.7990      95.0   
1 1 1 3  18 31 o 17.24000       1.088000      652.1777      176.8  
1 1 1 3  18 32 o 38.01000       1.342000      767.2294      41.0   
1 1 1 3  18 33 o 4.957000       0.9987000     83.49525      -145.3 
1 1 1 3  18 34 o 15.75000       1.064000      739.2078      86.5   
1 1 1 3  18 35 o 35.83000       1.302000      836.1875      -108.5 
1 1 1 3  18 36 o 8.589000       0.9918000     437.2957      32.0   
1 1 1 3  18 37 o 8.592000       0.9983000     243.2799      164.0  
1 1 1 3  18 38 o 17.79000       1.085000      462.8076      71.8   
1 1 1 3  18 39 o 30.64000       1.241000      881.5764      -2.6   
1 1 1 3  18 40 o 20.39000       1.129000      498.2241      -177.8 
1 1 1 3  18 41 o 0.8982000      0.9998000     119.7303      119.6  
1 1 1 3  18 42 o 47.43000       1.718000      946.2075      63.0   
1 1 1 3  18 43 o 59.30000       2.918000      1196.330      -108.3 
1 1 1 3  18 44 o 12.03000       2.568000      486.8840      58.8   
1 1 1 3  18 45 o 22.54000       1.393000      726.1652      29.3   
1 1 1 3  18 46 o 1.961000       1.085000      216.3279      101.3  
1 1 1 3  18 47 o 25.55000       1.310000      690.9678      170.8  
1 1 1 3  18 48 o 33.94000       1.465000      805.1613      111.7  
1 1 1 3  18 49 o 8.345000       1.207000      383.6521      98.2   
1 1 1 3  18 50 o 5.259000       1.208000      339.5326      38.5   
1 1 1 3  18 51 o 3.071000       1.233000      184.3505      -22.9  
1 1 1 3  18 52 o 4.403000       1.252000      283.4443      24.0   
1 1 1 3  18 53 f 3.400000       1.275000      154.9317      111.4  
1 1 1 3  18 54 o 2.459000       1.311000      190.3664      23.3   
1 1 1 3  18 55 o 13.71000       1.432000      505.7853      -38.0  
1 1 1 3  18 56 o 7.189000       1.426000      313.7111      -8.5   
1 1 1 3  18 57 o 16.95000       1.633000      579.0602      79.6   
1 1 1 3  18 58 o 17.81000       1.859000      615.0415      -70.3  
1 1 1 3  18 59 o 6.213000       1.991000      ?             ?      
1 1 1 3  18 60 o 2.792000       2.080000      ?             ?      
1 1 1 3  18 61 o 0.3156000      1.571000      ?             ?      
1 1 1 3  18 62 o 6.145000       1.371000      ?             ?      
1 1 1 3  18 63 o 4.416000       1.360000      ?             ?      
1 1 1 3  18 64 o 1.770000       1.348000      ?             ?      
1 1 1 3  18 65 o 1.456000       1.351000      ?             ?      
1 1 1 3  18 66 o 6.741000       1.404000      ?             ?      
1 1 1 3  18 67 o 3.616000       1.376000      ?             ?      
1 1 1 3  18 68 o 4.139000       1.384000      ?             ?      
1 1 1 3  18 69 o 0.3688000      1.371000      ?             ?      
1 1 1 3  18 70 o 1.263000       1.394000      ?             ?      
1 1 1 3  18 71 o 1.456000       1.588000      ?             ?      
1 1 1 3  18 72 o -1.154000      1.609000      ?             ?      
1 1 1 3  18 73 o 0.3942000      1.588000      ?             ?      
1 1 1 3  18 74 o 1.553000       2.173000      ?             ?      
1 1 1 3  19 0  o -0.7687000     0.8663000     158.5623      -90.0  
1 1 1 3  19 1  o 25.21000       0.8493000     586.7148      -121.7 
1 1 1 3  19 2  o 5.857000       0.4182000     303.9612      102.6  
1 1 1 3  19 3  o 7.637000       0.4326000     495.4891      27.1   
1 1 1 3  19 4  o 4.125000       0.3761000     313.7610      -66.0  
1 1 1 3  19 5  o 3.351000       0.3426000     335.7677      12.7   
1 1 1 3  19 6  o 1.434000       0.2860000     292.5339      -12.6  
1 1 1 3  19 7  o 45.25000       1.304000      836.4924      28.0   
1 1 1 3  19 8  o 3.147000       0.7446000     73.93288      -171.3 
1 1 1 3  19 9  o 0.3192000      0.8149000     55.52650      -49.0  
1 1 1 3  19 10 o 9.371000       0.6541000     501.7751      -90.0  
1 1 1 3  19 11 o 11.95000       0.6996000     407.2781      60.8   
1 1 1 3  19 12 o 8.355000       0.6557000     159.7490      -131.0 
1 1 1 3  19 13 o 7.459000       0.4341000     582.6358      -32.7  
1 1 1 3  19 14 o 21.99000       0.6904000     744.8435      -112.7 
1 1 1 3  19 15 f 0.1018000      0.3765000     276.9551      163.6  
1 1 1 3  19 16 o 1.637000       0.4190000     149.3651      45.3   
1 1 1 3  19 17 o 5.523000       0.4830000     521.8895      -101.2 
1 1 1 3  19 18 o 39.76000       1.135000      833.8987      57.8   
1 1 1 3  19 19 o 32.47000       1.030000      640.5660      -8.3   
1 1 1 3  19 20 o 27.22000       0.9575000     602.4836      176.4  
1 1 1 3  19 21 o 17.52000       0.7836000     450.4124      144.0  
1 1 1 3  19 22 o 18.51000       0.8390000     409.8206      -44.4  
1 1 1 3  19 23 o 6.251000       0.7718000     290.9905      -178.1 
1 1 1 3  19 24 o 1.958000       0.8149000     305.5052      112.5  
1 1 1 3  19 25 o 12.03000       1.119000      834.9977      80.3   
1 1 1 3  19 26 o 1.165000       1.444000      278.9012      -82.4  
1 1 1 3  19 27 o 35.13000       2.399000      867.6830      53.3   
1 1 1 3  19 28 o 4.756000       1.139000      237.2561      -12.7  
1 1 1 3  19 29 o 4.525000       1.018000      273.2724      -172.6 
1 1 1 3  19 30 o 10.49000       1.023000      471.9048      92.6   
1 1 1 3  19 31 o 9.435000       1.011000      308.0334      -164.5 
1 1 1 3  19 32 o 3.720000       0.9839000     312.9630      16.8   
1 1 1 3  19 33 o 14.67000       1.056000      543.2057      89.5   
1 1 1 3  19 34 o 14.33000       1.049000      414.4316      -116.1 
1 1 1 3  19 35 o 8.706000       1.007000      267.2401      -143.7 
1 1 1 3  19 36 o 1.381000       0.9604000     406.6174      -50.9  
1 1 1 3  19 37 o 33.96000       1.276000      673.4750      83.1   
1 1 1 3  19 38 o 3.056000       0.9687000     183.6746      -177.1 
1 1 1 3  19 39 o 1.116000       0.9738000     123.0701      -149.2 
1 1 1 3  19 40 o 3.956000       0.9888000     320.7184      -98.2  
1 1 1 3  19 41 o 1.556000       0.9982000     221.2657      -174.3 
1 1 1 3  19 42 o 3.860000       1.129000      290.9507      58.7   
1 1 1 3  19 43 o -0.3560000     1.353000      86.39861      -134.3 
1 1 1 3  19 44 o 20.71000       1.743000      513.6053      25.3   
1 1 1 3  19 45 o 1.658000       1.542000      213.1911      -166.1 
1 1 1 3  19 46 o 5.910000       1.231000      346.4056      98.7   
1 1 1 3  19 47 o 19.63000       1.276000      470.4195      -119.0 
1 1 1 3  19 48 o 18.41000       1.295000      588.3029      -58.7  
1 1 1 3  19 49 o 4.878000       1.196000      289.5821      -59.5  
1 1 1 3  19 50 o 45.23000       1.787000      892.3079      107.0  
1 1 1 3  19 51 o 2.551000       1.239000      248.4836      167.0  
1 1 1 3  19 52 o 12.45000       1.325000      445.7340      -17.1  
1 1 1 3  19 53 o 28.11000       1.542000      708.1307      -141.5 
1 1 1 3  19 54 o 10.27000       1.408000      432.7310      68.3   
1 1 1 3  19 55 o 1.597000       1.377000      292.4688      5.7    
1 1 1 3  19 56 o 6.130000       1.418000      334.0966      143.1  
1 1 1 3  19 57 o 2.884000       1.541000      190.1467      179.6  
1 1 1 3  19 58 o 4.093000       1.558000      273.4902      -99.4  
1 1 1 3  19 59 o 0.7608000      1.361000      ?             ?      
1 1 1 3  19 60 o 4.611000       1.901000      ?             ?      
1 1 1 3  19 61 o 1.503000       1.821000      ?             ?      
1 1 1 3  19 62 o 1.224000       1.355000      ?             ?      
1 1 1 3  19 63 o 0.4083000      1.330000      ?             ?      
1 1 1 3  19 64 o 1.938000       1.349000      ?             ?      
1 1 1 3  19 65 o 1.891000       1.349000      ?             ?      
1 1 1 3  19 66 o 1.155000       1.363000      ?             ?      
1 1 1 3  19 67 o 5.961000       1.392000      ?             ?      
1 1 1 3  19 68 o 1.903000       1.356000      ?             ?      
1 1 1 3  19 69 o 0.4166000      1.370000      ?             ?      
1 1 1 3  19 70 o 2.107000       1.582000      ?             ?      
1 1 1 3  19 71 o 0.8908000      1.597000      ?             ?      
1 1 1 3  19 72 o 2.265000       1.615000      ?             ?      
1 1 1 3  19 73 o -1.249000      1.673000      ?             ?      
1 1 1 3  19 74 o 1.667000       1.972000      ?             ?      
1 1 1 3  20 0  o 28.01000       1.046000      461.2838      -90.0  
1 1 1 3  20 1  o 3.638000       0.4290000     382.9841      -24.5  
1 1 1 3  20 2  o 4.287000       0.4500000     271.8770      101.6  
1 1 1 3  20 3  o 2.558000       0.4398000     148.5332      126.8  
1 1 1 3  20 4  o 6.988000       0.4279000     108.8843      -41.9  
1 1 1 3  20 5  o 2.783000       0.3614000     161.6761      91.9   
1 1 1 3  20 6  o 11.21000       0.5056000     372.0634      96.6   
1 1 1 3  20 7  o 5.820000       0.4196000     202.1155      62.9   
1 1 1 3  20 9  o 44.63000       1.825000      576.2526      -127.6 
1 1 1 3  20 10 o 9.059000       0.6927000     426.6466      -33.1  
1 1 1 3  20 11 o 22.94000       0.9126000     744.3551      56.6   
1 1 1 3  20 12 o 13.53000       0.6781000     480.5495      -153.8 
1 1 1 3  20 13 o 3.934000       0.5793000     358.5314      -98.4  
1 1 1 3  20 14 o 10.82000       0.6099000     587.9243      70.7   
1 1 1 3  20 15 o 1.424000       0.3721000     93.57571      113.3  
1 1 1 3  20 16 o 20.47000       0.7278000     571.5026      -112.2 
1 1 1 3  20 17 o 21.92000       0.7871000     448.5350      117.7  
1 1 1 3  20 18 o 2.206000       0.5122000     227.4625      46.4   
1 1 1 3  20 19 o 8.423000       0.6358000     274.3727      102.7  
1 1 1 3  20 20 o 3.910000       0.6196000     66.53709      66.9   
1 1 1 3  20 21 o 14.49000       0.7629000     368.6018      -117.8 
1 1 1 3  20 22 o 1.853000       0.8462000     153.6900      -102.6 
1 1 1 3  20 23 o 15.22000       0.8881000     398.0304      -116.4 
1 1 1 3  20 24 o 13.14000       0.9198000     343.6881      -161.6 
1 1 1 3  20 25 o 15.49000       1.080000      265.6335      129.1  
1 1 1 3  20 26 o 5.952000       1.234000      80.83112      -174.9 
1 1 1 3  20 27 o 1.303000       1.520000      141.2592      51.0   
1 1 1 3  20 28 o 14.95000       1.631000      507.1700      174.5  
1 1 1 3  20 29 o 17.21000       1.232000      409.7807      104.3  
1 1 1 3  20 30 o 4.233000       0.9674000     151.2090      -150.4 
1 1 1 3  20 31 o 6.882000       0.9787000     379.7155      97.4   
1 1 1 3  20 32 o 7.048000       0.9845000     236.2460      7.5    
1 1 1 3  20 33 o 4.575000       0.9687000     146.2209      33.9   
1 1 1 3  20 34 o 4.788000       0.9845000     209.7296      -34.1  
1 1 1 3  20 35 o 2.958000       0.9686000     206.7659      -49.3  
1 1 1 3  20 36 o 4.894000       0.9650000     189.9730      104.4  
1 1 1 3  20 37 o 8.351000       0.9859000     313.1793      83.3   
1 1 1 3  20 38 o 2.064000       0.9566000     183.0803      31.2   
1 1 1 3  20 39 o 11.83000       1.033000      490.6259      -82.0  
1 1 1 3  20 40 o 2.921000       0.9874000     176.8188      -110.2 
1 1 1 3  20 41 o 2.550000       1.093000      137.8567      62.7   
1 1 1 3  20 42 o 6.252000       1.315000      406.0343      -163.5 
1 1 1 3  20 43 o 5.000000       1.180000      238.3755      -82.8  
1 1 1 3  20 44 o 4.486000       1.207000      253.4827      13.6   
1 1 1 3  20 45 o 1.885000       1.721000      234.9824      78.0   
1 1 1 3  20 46 o 4.719000       1.312000      158.7576      146.3  
1 1 1 3  20 47 o 13.04000       1.222000      407.2852      67.0   
1 1 1 3  20 48 o 6.544000       1.184000      291.9392      -15.5  
1 1 1 3  20 49 o 6.456000       1.213000      383.6028      -149.3 
1 1 1 3  20 50 o 4.110000       1.242000      225.6314      -60.5  
1 1 1 3  20 51 o 9.548000       1.311000      283.9688      -135.2 
1 1 1 3  20 52 o 11.80000       1.356000      427.1360      39.6   
1 1 1 3  20 53 o 4.440000       1.337000      201.1223      -2.1   
1 1 1 3  20 54 o 15.86000       1.473000      435.2827      -69.3  
1 1 1 3  20 55 o 2.491000       1.383000      181.5385      90.4   
1 1 1 3  20 56 o 2.511000       1.406000      210.6754      155.8  
1 1 1 3  20 57 o 0.6737000      1.554000      162.4994      -12.3  
1 1 1 3  20 58 o 8.057000       1.552000      ?             ?      
1 1 1 3  20 59 o 5.238000       1.362000      ?             ?      
1 1 1 3  20 60 o 6.087000       1.680000      ?             ?      
1 1 1 3  20 61 o 0.5200000      2.049000      ?             ?      
1 1 1 3  20 62 o 2.788000       1.455000      ?             ?      
1 1 1 3  20 63 o 4.361000       1.372000      ?             ?      
1 1 1 3  20 64 o 0.3735000      1.325000      ?             ?      
1 1 1 3  20 65 o -1.030000      1.328000      ?             ?      
1 1 1 3  20 66 o 1.835000       1.457000      ?             ?      
1 1 1 3  20 67 o -1.714000      1.363000      ?             ?      
1 1 1 3  20 68 o 0.1554000      1.363000      ?             ?      
1 1 1 3  20 69 o 0.8613000      1.378000      ?             ?      
1 1 1 3  20 70 o -2.224000      1.749000      ?             ?      
1 1 1 3  20 71 o -0.7026000     1.820000      ?             ?      
1 1 1 3  20 72 o -2.422000      2.002000      ?             ?      
1 1 1 3  20 73 o 3.187000       1.696000      ?             ?      
1 1 1 3  21 0  o 2.655000       0.6159000     53.92909      -90.0  
1 1 1 3  21 1  o 3.588000       0.4447000     114.0610      95.7   
1 1 1 3  21 2  o 32.87000       0.8944000     434.2415      112.0  
1 1 1 3  21 3  o 3.598000       0.4223000     264.0397      -116.6 
1 1 1 3  21 4  o 7.726000       0.4494000     252.5234      -137.0 
1 1 1 3  21 5  o 5.933000       0.4924000     95.79200      39.4   
1 1 1 3  21 6  o 5.637000       0.3868000     81.41374      81.8   
1 1 1 3  21 7  o 1.302000       0.5394000     39.55713      75.3   
1 1 1 3  21 8  o 1.936000       0.6062000     319.2262      -86.4  
1 1 1 3  21 9  o 3.021000       0.8957000     150.0464      116.2  
1 1 1 3  21 10 o 0.6114000      0.6886000     162.8090      150.8  
1 1 1 3  21 11 o 6.500000       0.7202000     196.6078      -85.2  
1 1 1 3  21 12 o -0.2526000     0.5125000     258.8023      -6.0   
1 1 1 3  21 13 o 14.15000       0.6545000     35.10814      61.3   
1 1 1 3  21 14 o 6.214000       0.4753000     222.0963      103.2  
1 1 1 3  21 15 o 4.296000       0.3997000     247.1181      154.2  
1 1 1 3  21 16 o 6.044000       0.6401000     282.0283      -99.2  
1 1 1 3  21 17 o 4.061000       0.5919000     165.2132      -59.7  
1 1 1 3  21 18 o 8.208000       0.6306000     241.3683      97.4   
1 1 1 3  21 19 o 2.924000       0.5724000     226.9559      -24.3  
1 1 1 3  21 20 o 0.9851000      0.6276000     285.4550      26.5   
1 1 1 3  21 21 o 2.482000       0.6969000     171.6233      57.4   
1 1 1 3  21 22 o 31.87000       1.379000      318.6977      -107.2 
1 1 1 3  21 23 o 6.301000       0.9694000     287.4397      -33.0  
1 1 1 3  21 24 o 2.009000       0.9398000     212.1735      27.6   
1 1 1 3  21 25 o 3.516000       1.106000      224.5106      13.2   
1 1 1 3  21 26 o 3.571000       1.055000      152.2880      -44.3  
1 1 1 3  21 27 o 2.679000       1.095000      165.9275      80.9   
1 1 1 3  21 28 o 14.70000       1.585000      315.3105      90.9   
1 1 1 3  21 29 o 20.51000       1.683000      342.1134      -43.6  
1 1 1 3  21 30 o 4.060000       0.9570000     265.8690      -102.0 
1 1 1 3  21 31 o 7.783000       0.9794000     395.7545      -152.2 
1 1 1 3  21 32 o -0.2225000     0.9433000     190.9605      94.1   
1 1 1 3  21 33 o 0.3113000      0.9401000     132.4954      -178.8 
1 1 1 3  21 34 o 13.99000       1.031000      351.5915      -81.8  
1 1 1 3  21 35 o 2.162000       0.9416000     328.5646      -28.3  
1 1 1 3  21 36 o 3.117000       0.9448000     254.6970      22.2   
1 1 1 3  21 37 o 5.842000       0.9689000     232.9248      68.7   
1 1 1 3  21 38 o 6.652000       0.9832000     253.7017      145.0  
1 1 1 3  21 39 o 2.070000       0.9635000     154.2994      -20.3  
1 1 1 3  21 40 o 5.563000       1.011000      310.0976      86.7   
1 1 1 3  21 41 o 4.082000       1.116000      39.91122      -2.0   
1 1 1 3  21 42 o 7.152000       1.192000      357.4218      -30.3  
1 1 1 3  21 43 o 6.815000       1.093000      207.7190      97.2   
1 1 1 3  21 44 o 8.121000       1.235000      320.0758      66.6   
1 1 1 3  21 45 o 3.190000       1.569000      151.6870      -73.0  
1 1 1 3  21 46 o 3.171000       1.595000      170.4161      27.2   
1 1 1 3  21 47 o 3.086000       1.270000      173.8649      2.2    
1 1 1 3  21 48 o 2.386000       1.156000      113.7871      -86.6  
1 1 1 3  21 49 o 5.989000       1.217000      286.8875      -9.9   
1 1 1 3  21 50 o 5.806000       1.264000      266.6241      105.9  
1 1 1 3  21 51 o 1.518000       1.270000      70.81078      16.4   
1 1 1 3  21 52 o 7.792000       1.363000      287.6106      -171.8 
1 1 1 3  21 53 o 2.236000       1.352000      229.0370      -177.6 
1 1 1 3  21 54 o 17.15000       1.510000      359.8506      17.0   
1 1 1 3  21 55 o 7.456000       1.416000      388.8961      -20.9  
1 1 1 3  21 56 o 5.284000       1.582000      268.3038      173.9  
1 1 1 3  21 57 o 6.114000       1.632000      240.6659      13.3   
1 1 1 3  21 58 o 0.5286000E-01  1.353000      ?             ?      
1 1 1 3  21 59 o 7.183000       1.385000      ?             ?      
1 1 1 3  21 60 o 0.7049000      1.486000      ?             ?      
1 1 1 3  21 61 o 3.582000       1.848000      ?             ?      
1 1 1 3  21 62 o -0.3768000     1.773000      ?             ?      
1 1 1 3  21 63 o 3.268000       1.340000      ?             ?      
1 1 1 3  21 64 o 5.010000       1.349000      ?             ?      
1 1 1 3  21 65 o 0.5319000      1.325000      ?             ?      
1 1 1 3  21 66 o 0.8461000      1.346000      ?             ?      
1 1 1 3  21 67 o 0.7412000      1.343000      ?             ?      
1 1 1 3  21 68 o -1.310000      1.344000      ?             ?      
1 1 1 3  21 69 o 0.7964000      1.740000      ?             ?      
1 1 1 3  21 70 o -4.476000      2.406000      ?             ?      
1 1 1 3  21 71 o -1.285000      1.998000      ?             ?      
1 1 1 3  21 72 o -0.1571000     1.555000      ?             ?      
1 1 1 3  21 73 o 0.1763000      1.443000      ?             ?      
1 1 1 3  22 0  o 1.598000       0.7858000     196.7422      -90.0  
1 1 1 3  22 1  o 0.9203000      0.4539000     211.9055      -126.9 
1 1 1 3  22 2  o 0.6714000      0.4680000     197.6040      -35.0  
1 1 1 3  22 3  o 2.109000       0.4367000     120.2485      65.3   
1 1 1 3  22 4  o 3.003000       0.4287000     114.4137      -58.5  
1 1 1 3  22 5  o 1.285000       0.4034000     236.9943      53.0   
1 1 1 3  22 6  o 2.011000       0.3889000     340.1443      69.2   
1 1 1 3  22 7  f 3.938000       0.5924000     357.0466      126.9  
1 1 1 3  22 8  o 0.8345000      0.5272000     201.9710      123.8  
1 1 1 3  22 9  o 5.277000       1.057000      286.3831      93.3   
1 1 1 3  22 10 o 3.457000       1.089000      145.3039      43.2   
1 1 1 3  22 11 o 4.706000       0.9813000     102.1845      -178.5 
1 1 1 3  22 12 o 4.543000       0.9721000     204.4139      29.7   
1 1 1 3  22 13 o 0.2970000      0.5483000     256.1750      48.3   
1 1 1 3  22 14 o 0.3088000E-01  0.5775000     177.3832      69.9   
1 1 1 3  22 15 o 15.04000       1.063000      206.1136      -119.2 
1 1 1 3  22 16 o -0.5490000     0.5755000     308.4955      -5.9   
1 1 1 3  22 17 o 24.59000       0.9945000     143.3229      -129.6 
1 1 1 3  22 18 o 3.111000       0.6008000     423.4832      23.1   
1 1 1 3  22 19 o 9.078000       0.7812000     186.6036      87.1   
1 1 1 3  22 20 o 23.94000       1.288000      470.1049      -154.5 
1 1 1 3  22 21 o 9.640000       0.8374000     144.6257      138.0  
1 1 1 3  22 22 o 9.189000       0.8123000     336.4284      57.8   
1 1 1 3  22 23 o 12.47000       0.9843000     225.9073      149.4  
1 1 1 3  22 24 o 4.191000       1.024000      141.1483      162.4  
1 1 1 3  22 25 o 9.202000       1.049000      365.8731      -31.6  
1 1 1 3  22 26 o 16.22000       1.072000      405.7853      -175.4 
1 1 1 3  22 27 o 13.86000       1.165000      443.6117      98.3   
1 1 1 3  22 28 o 4.441000       1.552000      214.8185      43.8   
1 1 1 3  22 29 o 7.535000       1.528000      233.0422      156.3  
1 1 1 3  22 30 o 1.825000       1.053000      107.2259      160.5  
1 1 1 3  22 31 o 3.619000       0.9321000     212.9503      -63.3  
1 1 1 3  22 32 o 19.82000       1.191000      308.0020      -4.6   
1 1 1 3  22 33 o 3.334000       0.9330000     191.3797      15.3   
1 1 1 3  22 34 o 14.60000       1.020000      307.1260      102.5  
1 1 1 3  22 35 o 2.788000       0.9368000     295.6957      14.6   
1 1 1 3  22 36 o 14.47000       1.034000      332.8642      -131.9 
1 1 1 3  22 37 o 2.117000       0.9461000     120.8110      -18.6  
1 1 1 3  22 38 o 2.850000       0.9635000     227.4332      57.3   
1 1 1 3  22 39 o 15.44000       1.091000      435.9912      -161.6 
1 1 1 3  22 40 o 1.350000       1.078000      54.27596      129.7  
1 1 1 3  22 41 o 2.532000       1.266000      254.3397      30.0   
1 1 1 3  22 42 o 2.564000       1.149000      115.1762      -78.9  
1 1 1 3  22 43 o 7.189000       1.098000      302.8483      94.9   
1 1 1 3  22 44 o 1.628000       1.060000      143.0921      29.2   
1 1 1 3  22 45 o 2.067000       1.211000      199.8997      -142.9 
1 1 1 3  22 46 o 8.265000       1.870000      436.2516      103.3  
1 1 1 3  22 47 o 5.215000       1.283000      339.8752      -159.1 
1 1 1 3  22 48 o 4.716000       1.186000      151.1818      -140.1 
1 1 1 3  22 49 o 9.532000       1.248000      353.9711      -108.0 
1 1 1 3  22 50 o 2.481000       1.234000      102.1609      147.6  
1 1 1 3  22 51 o 11.76000       1.362000      354.6518      -69.0  
1 1 1 3  22 52 o -0.2154000     1.318000      37.42453      -32.6  
1 1 1 3  22 53 o 15.84000       1.454000      503.0934      -15.0  
1 1 1 3  22 54 o 17.64000       1.515000      481.8452      125.7  
1 1 1 3  22 55 o 3.747000       1.555000      303.2212      44.8   
1 1 1 3  22 56 o 4.150000       1.586000      168.8090      -160.3 
1 1 1 3  22 57 o 0.7680000      1.566000      ?             ?      
1 1 1 3  22 58 o 6.478000       1.397000      ?             ?      
1 1 1 3  22 59 o 5.082000       1.364000      ?             ?      
1 1 1 3  22 60 o -0.1130000E-01 1.313000      ?             ?      
1 1 1 3  22 61 o 1.790000       1.582000      ?             ?      
1 1 1 3  22 62 o 2.478000       1.802000      ?             ?      
1 1 1 3  22 63 o 2.160000       1.452000      ?             ?      
1 1 1 3  22 64 o 1.897000       1.324000      ?             ?      
1 1 1 3  22 65 o 3.387000       1.355000      ?             ?      
1 1 1 3  22 66 o 0.3299000      1.348000      ?             ?      
1 1 1 3  22 67 o 0.6727000      1.458000      ?             ?      
1 1 1 3  22 68 o -1.377000      1.793000      ?             ?      
1 1 1 3  22 69 o -0.2492000     1.926000      ?             ?      
1 1 1 3  22 70 o 1.111000       1.816000      ?             ?      
1 1 1 3  22 71 o 0.3274000      1.398000      ?             ?      
1 1 1 3  22 72 o 0.4633000      1.413000      ?             ?      
1 1 1 3  22 73 o 1.537000       2.662000      ?             ?      
1 1 1 3  23 0  o 1.191000       0.6947000     328.1437      -90.0  
1 1 1 3  23 1  o 15.96000       0.6838000     484.6378      -26.3  
1 1 1 3  23 2  o 20.62000       0.8043000     795.4008      -127.5 
1 1 1 3  23 3  o 2.818000       0.4688000     125.9211      -69.9  
1 1 1 3  23 4  f 16.22000       0.6962000     586.3000      -143.1 
1 1 1 3  23 5  o 23.65000       0.8802000     835.0581      -128.2 
1 1 1 3  23 6  o 4.807000       0.5628000     176.0797      -114.5 
1 1 1 3  23 7  o 1.657000       0.5579000     258.1309      123.9  
1 1 1 3  23 8  o 45.82000       2.462000      872.2066      -157.7 
1 1 1 3  23 9  o 19.02000       1.068000      690.2819      -145.3 
1 1 1 3  23 10 o 6.611000       0.8521000     249.8219      -36.8  
1 1 1 3  23 11 o 7.185000       0.8303000     496.9478      122.7  
1 1 1 3  23 12 o 8.551000       1.223000      465.0220      -157.5 
1 1 1 3  23 13 o 2.589000       1.178000      190.1906      -163.8 
1 1 1 3  23 14 o 0.1339000      0.6085000     109.4088      -72.5  
1 1 1 3  23 15 o 8.362000       0.9360000     478.4037      155.9  
1 1 1 3  23 16 o 15.74000       1.097000      243.6192      78.8   
1 1 1 3  23 17 o 6.707000       0.5877000     126.2754      -138.8 
1 1 1 3  23 18 o 2.769000       0.5471000     407.4098      9.8    
1 1 1 3  23 19 o 14.30000       0.8648000     477.8924      -148.2 
1 1 1 3  23 20 o 4.736000       0.7438000     239.4692      -18.5  
1 1 1 3  23 21 o 7.692000       0.7341000     449.5757      89.5   
1 1 1 3  23 22 o 9.184000       0.8839000     299.8661      77.9   
1 1 1 3  23 23 o 3.702000       0.8856000     77.25942      66.6   
1 1 1 3  23 24 o 15.74000       1.171000      398.3430      -169.2 
1 1 1 3  23 25 o 6.510000       1.009000      294.5647      -161.6 
1 1 1 3  23 26 o 3.187000       0.9553000     270.5168      -162.6 
1 1 1 3  23 27 o 27.80000       1.534000      595.0399      -157.1 
1 1 1 3  23 28 o 0.3954000      1.054000      186.8630      108.0  
1 1 1 3  23 29 o 1.344000       1.449000      108.2073      156.8  
1 1 1 3  23 30 o 9.832000       1.203000      459.2899      -21.4  
1 1 1 3  23 31 o 11.77000       1.077000      354.5161      53.2   
1 1 1 3  23 32 o 21.92000       1.198000      492.5774      65.3   
1 1 1 3  23 33 o 2.844000       0.9084000     158.2579      -138.9 
1 1 1 3  23 34 o 1.938000       0.9097000     255.0396      39.9   
1 1 1 3  23 35 o 6.816000       0.9476000     347.2002      -86.8  
1 1 1 3  23 36 o 2.332000       0.9371000     335.0954      74.3   
1 1 1 3  23 37 o 4.488000       0.9559000     284.5965      -33.6  
1 1 1 3  23 38 o 5.744000       0.9811000     198.4673      95.5   
1 1 1 3  23 39 o 9.935000       1.037000      332.0266      80.6   
1 1 1 3  23 40 o 7.436000       1.107000      289.9813      33.8   
1 1 1 3  23 41 o 1.060000       1.102000      73.92316      5.1    
1 1 1 3  23 42 o 11.38000       1.105000      455.2216      -161.4 
1 1 1 3  23 43 o 1.283000       1.051000      29.90687      129.7  
1 1 1 3  23 44 o 0.9060000      1.061000      156.8728      -167.9 
1 1 1 3  23 45 o 13.05000       1.315000      419.2472      173.2  
1 1 1 3  23 46 o 7.057000       1.685000      297.9838      51.5   
1 1 1 3  23 47 o 0.3031000      1.644000      43.99614      106.9  
1 1 1 3  23 48 o 8.098000       1.339000      253.5996      -65.7  
1 1 1 3  23 49 o 6.343000       1.230000      297.7483      29.3   
1 1 1 3  23 50 o 22.87000       1.421000      509.5882      7.4    
1 1 1 3  23 51 o 7.708000       1.328000      324.6913      -136.5 
1 1 1 3  23 52 o 2.569000       1.319000      186.1591      161.3  
1 1 1 3  23 53 o -0.2295000     1.334000      186.1616      -62.2  
1 1 1 3  23 54 o 4.270000       1.386000      263.9576      55.6   
1 1 1 3  23 55 o 8.432000       1.587000      389.3209      -7.0   
1 1 1 3  23 56 o 4.194000       1.608000      367.8572      72.3   
1 1 1 3  23 57 o 4.379000       1.491000      ?             ?      
1 1 1 3  23 58 o 0.6390000      1.354000      ?             ?      
1 1 1 3  23 59 o 2.108000       1.338000      ?             ?      
1 1 1 3  23 60 o 6.997000       1.346000      ?             ?      
1 1 1 3  23 61 o 3.858000       1.433000      ?             ?      
1 1 1 3  23 62 o 0.9527000      1.791000      ?             ?      
1 1 1 3  23 63 o 1.895000       1.800000      ?             ?      
1 1 1 3  23 64 o -0.7179000     1.335000      ?             ?      
1 1 1 3  23 65 o -0.9830000     1.440000      ?             ?      
1 1 1 3  23 66 o -2.327000      1.579000      ?             ?      
1 1 1 3  23 67 o -0.9188000     1.480000      ?             ?      
1 1 1 3  23 68 o 2.311000       1.499000      ?             ?      
1 1 1 3  23 69 o 0.7196000      1.545000      ?             ?      
1 1 1 3  23 70 o -0.5784000     1.557000      ?             ?      
1 1 1 3  23 71 o 1.454000       1.387000      ?             ?      
1 1 1 3  23 72 o 0.8910000E-01  1.424000      ?             ?      
1 1 1 3  24 0  o 8.591000       0.8104000     437.9714      -90.0  
1 1 1 3  24 1  o 4.474000       0.5433000     388.0974      35.4   
1 1 1 3  24 2  o 26.80000       0.7918000     989.6552      57.0   
1 1 1 3  24 3  o 21.55000       0.7511000     605.7845      -71.2  
1 1 1 3  24 4  o 9.301000       0.5496000     556.9042      -82.7  
1 1 1 3  24 5  o 19.45000       1.126000      639.7875      49.7   
1 1 1 3  24 6  o 21.48000       1.026000      792.6545      -81.9  
1 1 1 3  24 7  o 17.73000       0.7023000     535.0571      -20.3  
1 1 1 3  24 8  o 5.340000       0.6311000     331.3686      -24.1  
1 1 1 3  24 9  o 27.34000       1.103000      485.5346      16.2   
1 1 1 3  24 10 o 19.97000       1.037000      487.7443      110.5  
1 1 1 3  24 11 o 12.75000       0.9340000     594.7438      -87.5  
1 1 1 3  24 12 o 2.012000       0.8084000     157.4951      153.1  
1 1 1 3  24 13 o 5.806000       0.8876000     215.8484      67.5   
1 1 1 3  24 15 o 18.83000       1.152000      801.7546      -147.4 
1 1 1 3  24 16 o 66.59000       2.182000      1113.696      -149.7 
1 1 1 3  24 17 o 2.252000       0.5701000     104.7576      160.0  
1 1 1 3  24 18 o 3.199000       0.7739000     223.8964      -9.4   
1 1 1 3  24 19 o 30.41000       1.467000      866.0497      -132.8 
1 1 1 3  24 20 o 7.755000       0.7402000     409.5111      -68.5  
1 1 1 3  24 21 o 53.73000       1.897000      1052.725      127.6  
1 1 1 3  24 22 o 4.053000       0.7533000     298.1073      116.7  
1 1 1 3  24 23 o 5.688000       0.8667000     370.8195      -96.4  
1 1 1 3  24 24 o 44.53000       1.759000      970.4681      108.7  
1 1 1 3  24 25 o 9.318000       0.9255000     463.1051      -143.8 
1 1 1 3  24 26 o 6.906000       0.9151000     581.6522      -119.2 
1 1 1 3  24 27 o 12.69000       0.9533000     361.5625      -96.9  
1 1 1 3  24 28 o 16.57000       1.116000      534.1367      -79.9  
1 1 1 3  24 29 o 17.02000       1.234000      522.4377      -95.2  
1 1 1 3  24 30 o 13.83000       1.438000      376.5092      138.5  
1 1 1 3  24 31 o 2.862000       1.001000      189.0595      176.1  
1 1 1 3  24 32 o 27.40000       1.120000      642.7394      -55.0  
1 1 1 3  24 33 o 9.561000       0.9277000     457.7074      169.7  
1 1 1 3  24 34 o 8.617000       0.9388000     287.5249      127.1  
1 1 1 3  24 35 o 27.88000       1.168000      685.4557      141.3  
1 1 1 3  24 36 o 13.59000       1.148000      274.9957      70.0   
1 1 1 3  24 37 o 7.953000       1.033000      316.4167      -112.2 
1 1 1 3  24 38 o 36.61000       1.336000      822.4014      -174.9 
1 1 1 3  24 39 o 3.980000       1.051000      167.1562      -104.0 
1 1 1 3  24 40 o 2.707000       1.195000      158.5196      56.4   
1 1 1 3  24 41 o 6.407000       1.130000      295.7697      -168.5 
1 1 1 3  24 42 o 11.66000       1.099000      400.0243      -113.6 
1 1 1 3  24 43 o 3.141000       1.055000      199.0566      -88.0  
1 1 1 3  24 44 o 24.39000       1.288000      734.1445      -173.3 
1 1 1 3  24 45 o 10.57000       1.169000      442.8780      -152.1 
1 1 1 3  24 46 o 1.315000       1.263000      240.9979      -99.0  
1 1 1 3  24 47 o -0.7293000     1.649000      128.9203      26.1   
1 1 1 3  24 48 o 10.20000       1.501000      302.0780      -9.3   
1 1 1 3  24 49 o 26.05000       1.446000      634.5252      101.8  
1 1 1 3  24 50 o 10.68000       1.313000      222.3919      -73.1  
1 1 1 3  24 51 o 6.862000       1.315000      305.0421      -19.3  
1 1 1 3  24 52 o 4.916000       1.330000      334.8168      3.9    
1 1 1 3  24 53 o 1.355000       1.315000      150.0113      150.3  
1 1 1 3  24 54 o 3.112000       1.374000      322.2095      137.6  
1 1 1 3  24 55 o 0.3648000      1.521000      183.7644      8.7    
1 1 1 3  24 56 o -1.272000      1.499000      ?             ?      
1 1 1 3  24 57 o 6.545000       1.376000      ?             ?      
1 1 1 3  24 58 o 9.814000       1.397000      ?             ?      
1 1 1 3  24 59 o -0.8745000     1.305000      ?             ?      
1 1 1 3  24 60 o 7.200000       1.314000      ?             ?      
1 1 1 3  24 61 o 7.716000       1.335000      ?             ?      
1 1 1 3  24 62 o 4.269000       1.586000      ?             ?      
1 1 1 3  24 63 o 6.431000       1.860000      ?             ?      
1 1 1 3  24 64 o 3.707000       1.588000      ?             ?      
1 1 1 3  24 65 o 2.094000       1.736000      ?             ?      
1 1 1 3  24 66 o 0.9644000      1.455000      ?             ?      
1 1 1 3  24 67 o 2.653000       1.350000      ?             ?      
1 1 1 3  24 68 o 2.767000       1.734000      ?             ?      
1 1 1 3  24 69 o -0.1171000     1.539000      ?             ?      
1 1 1 3  24 70 o -1.179000      1.383000      ?             ?      
1 1 1 3  24 71 o 0.3118000      1.952000      ?             ?      
1 1 1 3  24 72 o 2.911000       1.992000      ?             ?      
1 1 1 3  25 0  o 6.886000       0.8311000     602.9189      -90.0  
1 1 1 3  25 1  o 33.70000       0.9308000     668.3693      -64.0  
1 1 1 3  25 2  o 32.10000       0.9724000     941.1793      -118.9 
1 1 1 3  25 3  o 15.91000       0.7223000     814.5310      -98.4  
1 1 1 3  25 4  o 73.12000       1.734000      1419.799      168.5  
1 1 1 3  25 5  o 97.15000       2.620000      1404.075      13.4   
1 1 1 3  25 6  o 66.60000       1.897000      1071.910      146.4  
1 1 1 3  25 7  o 3.759000       0.4467000     197.4626      122.9  
1 1 1 3  25 8  o 16.84000       0.7040000     857.5903      -86.7  
1 1 1 3  25 9  o 10.07000       0.6809000     585.6099      -140.1 
1 1 1 3  25 10 o 20.23000       1.026000      602.1045      114.6  
1 1 1 3  25 11 o 24.87000       1.082000      880.5415      -143.2 
1 1 1 3  25 12 o 6.606000       0.9355000     155.2922      80.3   
1 1 1 3  25 13 o 26.85000       1.250000      784.8970      -18.2  
1 1 1 3  25 14 o 108.6000       3.853000      1287.311      -44.2  
1 1 1 3  25 15 o 109.6000       3.122000      1764.941      156.1  
1 1 1 3  25 16 o 81.41000       2.487000      1436.990      -72.1  
1 1 1 3  25 17 o 48.22000       1.808000      1023.367      -88.7  
1 1 1 3  25 18 o 6.564000       0.7431000     626.1461      -160.5 
1 1 1 3  25 19 o 39.09000       1.195000      845.5415      -123.5 
1 1 1 3  25 20 o 8.823000       0.7426000     404.5126      111.5  
1 1 1 3  25 21 o 23.54000       1.080000      611.5272      19.2   
1 1 1 3  25 22 o 22.40000       0.9751000     774.7948      -37.1  
1 1 1 3  25 23 o 33.35000       1.886000      622.7906      -135.2 
1 1 1 3  25 24 o 12.04000       0.9352000     432.4429      166.2  
1 1 1 3  25 25 o 14.92000       0.8963000     540.3976      -94.1  
1 1 1 3  25 26 o 13.69000       0.8978000     781.7656      -103.0 
1 1 1 3  25 27 o 26.25000       1.067000      562.3241      8.5    
1 1 1 3  25 28 o 23.65000       1.059000      797.1837      -70.9  
1 1 1 3  25 29 o 9.635000       1.027000      315.7268      -168.7 
1 1 1 3  25 30 o 17.99000       1.442000      339.9062      -29.2  
1 1 1 3  25 31 o 14.84000       1.403000      477.3731      125.3  
1 1 1 3  25 32 o 3.631000       0.9804000     233.8842      -33.3  
1 1 1 3  25 33 o 7.399000       0.9028000     535.2145      -59.7  
1 1 1 3  25 34 o 87.39000       2.110000      1168.504      163.1  
1 1 1 3  25 35 o 19.72000       1.064000      684.8090      72.2   
1 1 1 3  25 36 o 3.791000       0.9340000     210.9828      7.8    
1 1 1 3  25 37 o 2.819000       0.9398000     390.1952      -88.3  
1 1 1 3  25 38 o 60.79000       1.714000      1048.538      50.8   
1 1 1 3  25 39 o 30.99000       1.382000      692.0344      -28.6  
1 1 1 3  25 40 o 3.818000       1.093000      298.2658      -14.0  
1 1 1 3  25 41 o 13.07000       1.088000      599.9510      -61.5  
1 1 1 3  25 42 o 20.92000       1.194000      624.5060      -137.0 
1 1 1 3  25 43 o 18.41000       1.179000      540.9031      -31.0  
1 1 1 3  25 44 o 12.53000       1.163000      461.5949      47.4   
1 1 1 3  25 45 o 21.41000       1.283000      700.7300      25.7   
1 1 1 3  25 46 o 3.680000       1.248000      248.7481      -138.0 
1 1 1 3  25 47 o 3.089000       1.677000      226.4758      120.3  
1 1 1 3  25 48 o 5.151000       1.748000      296.9279      178.8  
1 1 1 3  25 49 o 16.29000       1.485000      411.1844      63.0   
1 1 1 3  25 50 o 7.488000       1.319000      419.0748      -91.3  
1 1 1 3  25 51 o 0.5803000      1.286000      9.924007      -116.6 
1 1 1 3  25 52 o 1.297000       1.318000      198.9009      20.4   
1 1 1 3  25 53 o 14.08000       1.417000      483.9953      24.8   
1 1 1 3  25 54 o 6.465000       1.511000      289.1001      129.6  
1 1 1 3  25 55 o 5.716000       1.538000      371.2390      53.8   
1 1 1 3  25 56 o 9.074000       1.479000      ?             ?      
1 1 1 3  25 57 o 9.917000       1.396000      ?             ?      
1 1 1 3  25 58 o 0.8824000      1.309000      ?             ?      
1 1 1 3  25 59 o -0.5582000     1.288000      ?             ?      
1 1 1 3  25 60 o 2.049000       1.284000      ?             ?      
1 1 1 3  25 61 o 3.958000       1.458000      ?             ?      
1 1 1 3  25 62 o 5.070000       1.858000      ?             ?      
1 1 1 3  25 63 o 4.369000       1.826000      ?             ?      
1 1 1 3  25 64 o 0.3084000      2.011000      ?             ?      
1 1 1 3  25 65 o -0.6409000     1.305000      ?             ?      
1 1 1 3  25 66 o 2.148000       1.331000      ?             ?      
1 1 1 3  25 67 o 0.5803000      1.339000      ?             ?      
1 1 1 3  25 68 o 1.403000       1.530000      ?             ?      
1 1 1 3  25 69 o 3.594000       1.544000      ?             ?      
1 1 1 3  25 70 o 0.2933000      1.379000      ?             ?      
1 1 1 3  25 71 o -0.6860000     1.977000      ?             ?      
1 1 1 3  26 0  o -0.5700000     0.8547000     198.0293      90.0   
1 1 1 3  26 1  o 37.84000       1.018000      872.2737      12.6   
1 1 1 3  26 2  o 40.93000       1.176000      871.1677      -3.4   
1 1 1 3  26 3  o 79.90000       1.763000      1462.508      -98.5  
1 1 1 3  26 4  o 37.89000       1.252000      809.5989      58.4   
1 1 1 3  26 5  o 92.93000       2.561000      1387.755      -70.0  
1 1 1 3  26 6  o 49.28000       1.402000      584.6169      -35.3  
1 1 1 3  26 7  o 70.84000       1.740000      1358.648      -120.7 
1 1 1 3  26 8  o 21.18000       0.7816000     749.4581      -54.6  
1 1 1 3  26 9  o 23.88000       1.120000      969.2405      -57.5  
1 1 1 3  26 10 o 140.8000       3.606000      1823.460      -123.3 
1 1 1 3  26 11 o 11.78000       0.9644000     369.2908      -19.9  
1 1 1 3  26 12 o 281.7000       6.877000      2152.534      56.2   
1 1 1 3  26 13 o 1.182000       0.9197000     218.0539      112.3  
1 1 1 3  26 14 o 56.45000       1.899000      1374.293      -10.5  
1 1 1 3  26 15 o 106.8000       3.084000      1561.019      -12.5  
1 1 1 3  26 16 o 67.71000       1.787000      1237.075      -155.5 
1 1 1 3  26 17 o 9.351000       0.8831000     140.6140      53.9   
1 1 1 3  26 18 o 43.64000       1.387000      1111.813      -59.6  
1 1 1 3  26 19 o 9.587000       0.7440000     488.0085      -150.1 
1 1 1 3  26 20 o 76.99000       2.255000      1357.120      41.0   
1 1 1 3  26 21 o 15.59000       1.074000      741.9092      -83.8  
1 1 1 3  26 22 o 11.50000       1.067000      460.0015      -62.5  
1 1 1 3  26 23 o 11.81000       1.241000      521.8467      -33.5  
1 1 1 3  26 24 o 60.11000       1.710000      930.5824      56.5   
1 1 1 3  26 25 o 0.5905000      0.7950000     282.2549      -7.8   
1 1 1 3  26 26 o 28.28000       1.054000      817.0659      -39.4  
1 1 1 3  26 27 o 82.29000       1.959000      1201.474      25.5   
1 1 1 3  26 28 o -1.020000      0.8261000     89.08851      87.8   
1 1 1 3  26 29 o 2.675000       0.8493000     172.7252      -120.9 
1 1 1 3  26 30 o 22.12000       1.240000      576.6409      -34.2  
1 1 1 3  26 31 o 0.8811000      1.216000      204.1641      -110.0 
1 1 1 3  26 32 o 31.44000       1.385000      1083.791      -118.4 
1 1 1 3  26 33 o 27.15000       1.116000      598.1958      116.4  
1 1 1 3  26 34 o 39.95000       1.329000      1217.595      -140.8 
1 1 1 3  26 35 o 20.12000       1.054000      528.5628      -160.1 
1 1 1 3  26 36 o 17.83000       1.039000      600.7694      78.4   
1 1 1 3  26 37 o 47.67000       1.464000      959.9022      175.0  
1 1 1 3  26 38 o 21.92000       1.221000      441.0144      115.7  
1 1 1 3  26 39 o 15.03000       1.312000      415.3661      -170.3 
1 1 1 3  26 40 o 4.944000       1.086000      287.2266      -52.7  
1 1 1 3  26 41 f 1.116000       0.9880000     441.1531      -85.5  
1 1 1 3  26 42 o 38.76000       1.422000      860.9166      123.5  
1 1 1 3  26 43 o 19.50000       1.194000      647.5478      130.9  
1 1 1 3  26 44 o 20.08000       1.233000      595.8747      164.2  
1 1 1 3  26 45 o 8.483000       1.153000      372.9939      -39.5  
1 1 1 3  26 46 o 5.648000       1.168000      209.9016      -170.2 
1 1 1 3  26 47 o 12.98000       1.389000      466.9142      -19.9  
1 1 1 3  26 48 o 3.393000       1.723000      289.2222      -116.6 
1 1 1 3  26 49 o 3.670000       1.522000      163.3698      110.7  
1 1 1 3  26 50 o 0.6095000      1.297000      56.15208      -167.9 
1 1 1 3  26 51 o 15.99000       1.409000      618.8134      87.8   
1 1 1 3  26 52 o -0.4595000     1.315000      195.9102      -28.8  
1 1 1 3  26 53 o 13.08000       1.494000      447.5447      -125.2 
1 1 1 3  26 54 o 6.704000       1.520000      346.9860      91.8   
1 1 1 3  26 55 o 4.607000       1.481000      ?             ?      
1 1 1 3  26 56 o 6.583000       1.344000      ?             ?      
1 1 1 3  26 57 o 4.055000       1.340000      ?             ?      
1 1 1 3  26 59 o 9.608000       1.461000      ?             ?      
1 1 1 3  26 60 o 8.695000       1.599000      ?             ?      
1 1 1 3  26 61 o 11.66000       1.862000      ?             ?      
1 1 1 3  26 62 o 1.224000       1.439000      ?             ?      
1 1 1 3  26 63 o 1.323000       1.566000      ?             ?      
1 1 1 3  26 64 o -2.243000      1.778000      ?             ?      
1 1 1 3  26 65 o 1.917000       1.442000      ?             ?      
1 1 1 3  26 66 o 0.7082000      1.315000      ?             ?      
1 1 1 3  26 67 o 5.134000       1.544000      ?             ?      
1 1 1 3  26 68 o 1.710000       1.676000      ?             ?      
1 1 1 3  26 69 o 0.7597000      1.549000      ?             ?      
1 1 1 3  26 70 o 5.555000       1.418000      ?             ?      
1 1 1 3  26 71 o 2.952000       1.424000      ?             ?      
1 1 1 3  27 0  o 2.639000       0.9400000     202.9625      -90.0  
1 1 1 3  27 1  o 31.96000       0.9720000     806.6743      74.1   
1 1 1 3  27 2  o 184.5000       3.759000      1978.674      -167.8 
1 1 1 3  27 3  o 114.5000       2.595000      1719.508      134.9  
1 1 1 3  27 4  o 108.7000       2.936000      1720.465      4.1    
1 1 1 3  27 5  o 31.53000       1.143000      1079.150      30.7   
1 1 1 3  27 6  o 19.87000       0.7612000     994.4292      61.1   
1 1 1 3  27 7  o 25.48000       0.8192000     709.4406      -20.5  
1 1 1 3  27 8  o 99.75000       2.132000      1718.276      6.5    
1 1 1 3  27 9  o 21.86000       0.8443000     625.5607      80.7   
1 1 1 3  27 10 o 41.85000       1.484000      1328.683      -159.7 
1 1 1 3  27 11 o 14.30000       1.111000      526.8582      87.3   
1 1 1 3  27 12 o 336.2000       8.061000      2475.614      66.6   
1 1 1 3  27 13 o 55.45000       1.888000      961.2578      -139.3 
1 1 1 3  27 14 o 2.309000       0.9622000     126.9299      -172.6 
1 1 1 3  27 15 o 47.54000       1.747000      1190.817      124.4  
1 1 1 3  27 16 o 12.40000       1.072000      867.7759      -54.7  
1 1 1 3  27 17 o 17.58000       0.9827000     749.1576      -159.5 
1 1 1 3  27 18 o 41.19000       1.577000      865.8096      167.3  
1 1 1 3  27 19 o 17.77000       1.314000      488.5770      -138.8 
1 1 1 3  27 20 o 59.16000       1.630000      966.9528      -67.9  
1 1 1 3  27 21 o 44.95000       1.343000      751.2803      90.3   
1 1 1 3  27 22 o 6.369000       0.7482000     486.5941      113.5  
1 1 1 3  27 23 o 31.40000       1.272000      812.2237      -62.2  
1 1 1 3  27 24 f 5.385000       0.7571000     729.0580      104.2  
1 1 1 3  27 25 o 15.42000       0.8891000     781.0144      -37.8  
1 1 1 3  27 26 o 17.07000       0.9163000     521.3290      -143.6 
1 1 1 3  27 27 o 14.11000       0.9283000     451.1228      -28.0  
1 1 1 3  27 28 o 3.392000       0.8263000     413.3485      -13.1  
1 1 1 3  27 29 o 3.505000       0.8091000     324.3906      14.2   
1 1 1 3  27 30 o 4.184000       0.9316000     474.6486      -111.2 
1 1 1 3  27 31 o 33.77000       1.702000      737.0951      -81.7  
1 1 1 3  27 32 o 104.5000       3.258000      1336.517      -38.0  
1 1 1 3  27 33 o 51.73000       1.625000      1202.247      -14.6  
1 1 1 3  27 34 o 66.62000       1.743000      1089.063      -177.2 
1 1 1 3  27 35 o 70.66000       1.832000      1263.793      -81.1  
1 1 1 3  27 36 o 6.531000       0.9344000     483.0615      -72.1  
1 1 1 3  27 37 o 8.098000       0.9769000     392.2506      -69.7  
1 1 1 3  27 38 o 19.63000       1.196000      586.4998      48.6   
1 1 1 3  27 39 o 21.34000       1.258000      742.0018      -27.8  
1 1 1 3  27 40 o 19.52000       1.135000      608.9584      -105.5 
1 1 1 3  27 41 o 102.5000       2.460000      ?             ?      
1 1 1 3  27 42 o 12.50000       1.095000      530.0643      -125.8 
1 1 1 3  27 43 o 1.998000       1.060000      272.4671      -29.5  
1 1 1 3  27 44 o 54.74000       1.719000      919.5865      23.7   
1 1 1 3  27 45 o 4.557000       1.156000      355.2172      -12.9  
1 1 1 3  27 46 o 7.889000       1.208000      229.3188      -75.9  
1 1 1 3  27 47 o 25.26000       1.407000      712.9915      -7.9   
1 1 1 3  27 48 o 5.077000       1.744000      206.7785      136.1  
1 1 1 3  27 49 o 1.563000       1.804000      160.9205      -109.4 
1 1 1 3  27 50 o 67.04000       2.277000      ?             ?      
1 1 1 3  27 51 o 8.799000       1.359000      540.9689      101.8  
1 1 1 3  27 52 o 1.730000       1.335000      165.2177      -127.2 
1 1 1 3  27 53 o 0.8186000      1.463000      127.6286      22.0   
1 1 1 3  27 54 o 9.273000       1.659000      ?             ?      
1 1 1 3  27 55 o 3.332000       1.401000      ?             ?      
1 1 1 3  27 56 o 25.57000       1.513000      ?             ?      
1 1 1 3  27 57 o 6.872000       1.477000      ?             ?      
1 1 1 3  27 58 o 2.522000       1.533000      ?             ?      
1 1 1 3  27 59 o -0.9205000     1.659000      ?             ?      
1 1 1 3  27 60 o 4.631000       1.440000      ?             ?      
1 1 1 3  27 61 o 9.128000       1.464000      ?             ?      
1 1 1 3  27 62 o 2.403000       1.316000      ?             ?      
1 1 1 3  27 63 o 3.404000       1.433000      ?             ?      
1 1 1 3  27 64 o 1.444000       1.800000      ?             ?      
1 1 1 3  27 65 o 1.882000       1.811000      ?             ?      
1 1 1 3  27 66 o 10.48000       1.408000      ?             ?      
1 1 1 3  27 67 o -0.1997000     1.502000      ?             ?      
1 1 1 3  27 68 o 1.959000       1.543000      ?             ?      
1 1 1 3  27 69 o 3.267000       1.399000      ?             ?      
1 1 1 3  27 70 o 2.316000       1.978000      ?             ?      
1 1 1 3  28 0  o 98.71000       3.026000      878.1528      -90.0  
1 1 1 3  28 1  o 5.632000       0.7524000     390.1538      26.5   
1 1 1 3  28 2  o 26.62000       0.9663000     761.5513      82.9   
1 1 1 3  28 3  o 115.4000       2.837000      1425.451      -114.0 
1 1 1 3  28 4  o 21.57000       1.048000      824.8465      -98.3  
1 1 1 3  28 5  o 63.77000       1.716000      894.1260      -10.0  
1 1 1 3  28 6  o 106.5000       2.275000      1561.464      -147.1 
1 1 1 3  28 7  o 108.9000       2.498000      1737.359      145.0  
1 1 1 3  28 8  o 99.75000       2.146000      1457.825      -11.8  
1 1 1 3  28 9  o 97.52000       2.261000      1566.055      -96.2  
1 1 1 3  28 10 o 31.84000       1.426000      1112.467      -91.0  
1 1 1 3  28 11 o 2.113000       0.9644000     53.30069      174.6  
1 1 1 3  28 12 o 58.71000       1.962000      1420.417      146.5  
1 1 1 3  28 13 o 16.31000       1.176000      904.2648      -161.1 
1 1 1 3  28 14 o 22.35000       1.194000      805.2180      -1.3   
1 1 1 3  28 15 o 19.97000       1.174000      544.6326      -134.0 
1 1 1 3  28 16 o 139.3000       3.850000      2085.936      -138.9 
1 1 1 3  28 17 o 210.2000       5.565000      2256.269      -58.2  
1 1 1 3  28 18 o 48.29000       1.676000      943.2567      7.4    
1 1 1 3  28 19 o 27.04000       1.099000      896.4186      -55.7  
1 1 1 3  28 20 o 145.5000       3.996000      1592.009      -70.5  
1 1 1 3  28 21 o 11.85000       0.6653000     559.1958      -18.0  
1 1 1 3  28 22 o 13.55000       0.7769000     514.9198      -43.1  
1 1 1 3  28 23 o 109.6000       2.639000      1618.387      18.8   
1 1 1 3  28 24 o 57.09000       1.449000      1123.866      29.0   
1 1 1 3  28 25 o 12.20000       0.8169000     683.4291      -101.5 
1 1 1 3  28 26 o 45.62000       1.410000      739.9633      35.9   
1 1 1 3  28 27 o 18.85000       0.9278000     443.1120      25.1   
1 1 1 3  28 28 o 34.84000       1.179000      782.1797      -68.5  
1 1 1 3  28 29 o 20.88000       0.9773000     673.0606      -8.4   
1 1 1 3  28 30 o 55.55000       1.650000      1297.016      12.1   
1 1 1 3  28 31 o 84.80000       2.350000      1322.634      97.1   
1 1 1 3  28 32 o 2.673000       1.286000      59.70914      -104.3 
1 1 1 3  28 33 o 21.28000       1.257000      825.8992      27.1   
1 1 1 3  28 34 f 2.950000       0.9917000     267.3506      38.9   
1 1 1 3  28 35 o 47.35000       1.448000      1025.141      76.7   
1 1 1 3  28 36 o 68.52000       1.797000      987.9934      -23.0  
1 1 1 3  28 37 f 64.50000       1.938000      893.2919      -171.8 
1 1 1 3  28 38 o 0.5210000      1.145000      51.02758      -133.1 
1 1 1 3  28 39 o 17.33000       1.196000      561.9305      -74.2  
1 1 1 3  28 40 o 14.98000       1.099000      588.2412      108.2  
1 1 1 3  28 41 o 0.9992000      1.014000      138.7888      -99.5  
1 1 1 3  28 42 o 6.792000       1.075000      441.3709      176.2  
1 1 1 3  28 43 o 35.91000       1.426000      848.4899      61.3   
1 1 1 3  28 44 o 9.813000       1.170000      515.7910      25.7   
1 1 1 3  28 45 o 13.16000       1.230000      498.7011      14.2   
1 1 1 3  28 46 o 11.49000       1.246000      493.8789      126.2  
1 1 1 3  28 47 o 2.387000       1.220000      269.5910      129.0  
1 1 1 3  28 48 o 6.261000       1.391000      511.7605      -128.3 
1 1 1 3  28 49 o 11.09000       1.908000      394.5769      170.1  
1 1 1 3  28 50 o 2.696000       1.872000      220.6944      73.7   
1 1 1 3  28 51 o 64.53000       2.256000      ?             ?      
1 1 1 3  28 52 o 9.869000       1.467000      508.2007      31.8   
1 1 1 3  28 53 o 9.633000       1.665000      403.6005      -124.2 
1 1 1 3  28 54 o 6.678000       1.506000      ?             ?      
1 1 1 3  28 55 o 1.871000       1.423000      ?             ?      
1 1 1 3  28 56 o 5.909000       1.569000      ?             ?      
1 1 1 3  28 57 o 2.451000       1.706000      ?             ?      
1 1 1 3  28 58 o 2.111000       1.387000      ?             ?      
1 1 1 3  28 59 o 8.111000       1.310000      ?             ?      
1 1 1 3  28 60 o 0.3048000      1.282000      ?             ?      
1 1 1 3  28 61 o 4.950000       1.317000      ?             ?      
1 1 1 3  28 62 o 8.668000       1.339000      ?             ?      
1 1 1 3  28 63 o 6.735000       1.335000      ?             ?      
1 1 1 3  28 64 o 2.794000       1.428000      ?             ?      
1 1 1 3  28 65 o 2.617000       2.045000      ?             ?      
1 1 1 3  28 66 o 3.767000       1.720000      ?             ?      
1 1 1 3  28 67 o 2.124000       1.537000      ?             ?      
1 1 1 3  28 68 o -1.462000      1.447000      ?             ?      
1 1 1 3  28 69 o 3.793000       1.399000      ?             ?      
1 1 1 3  28 70 o 3.670000       2.003000      ?             ?      
1 1 1 3  29 0  o 208.1000       5.997000      1545.556      -90.0  
1 1 1 3  29 1  o 47.14000       1.283000      771.2068      161.6  
1 1 1 3  29 2  o 16.27000       0.9255000     250.3880      77.9   
1 1 1 3  29 3  o 25.14000       1.143000      870.4381      58.5   
1 1 1 3  29 4  o 22.19000       1.069000      1083.295      29.6   
1 1 1 3  29 5  o 97.62000       2.293000      1290.641      43.4   
1 1 1 3  29 6  o 4.077000       0.7303000     219.5231      128.3  
1 1 1 3  29 7  o 215.1000       4.702000      2416.736      -27.7  
1 1 1 3  29 8  o 48.88000       1.230000      1009.314      45.1   
1 1 1 3  29 9  o 8.615000       0.6014000     791.5595      -83.3  
1 1 1 3  29 10 o 39.93000       1.591000      923.3847      136.1  
1 1 1 3  29 11 o 6.447000       1.038000      451.6222      41.0   
1 1 1 3  29 12 o 16.51000       1.117000      707.9461      -62.4  
1 1 1 3  29 13 o 109.9000       2.944000      1560.465      -123.1 
1 1 1 3  29 14 o 57.43000       1.853000      1184.677      7.4    
1 1 1 3  29 15 o 61.23000       1.910000      1113.140      -84.5  
1 1 1 3  29 16 o 70.14000       2.255000      898.8985      -71.7  
1 1 1 3  29 17 o 7.846000       1.041000      590.9008      13.9   
1 1 1 3  29 18 o 3.703000       1.039000      381.9328      -12.9  
1 1 1 3  29 19 o 9.206000       1.083000      295.9492      -128.3 
1 1 1 3  29 20 o 57.96000       2.188000      1345.073      40.8   
1 1 1 3  29 21 o 31.61000       1.778000      1214.677      95.1   
1 1 1 3  29 22 o 12.08000       0.7867000     746.0310      151.4  
1 1 1 3  29 23 o 68.08000       1.641000      1134.331      -49.4  
1 1 1 3  29 24 o 6.239000       0.6439000     512.5419      86.0   
1 1 1 3  29 25 o 45.64000       1.240000      815.7221      -65.8  
1 1 1 3  29 26 o 21.82000       0.9675000     893.9221      95.2   
1 1 1 3  29 27 o 39.55000       1.175000      994.0037      76.2   
1 1 1 3  29 28 o 20.97000       0.9551000     612.0746      38.9   
1 1 1 3  29 29 o 11.30000       0.8876000     517.0219      -176.5 
1 1 1 3  29 30 o 31.09000       1.137000      819.7883      -125.3 
1 1 1 3  29 31 o 28.32000       1.278000      812.0436      -84.0  
1 1 1 3  29 32 o 4.406000       1.096000      220.3856      67.1   
1 1 1 3  29 33 o -0.1902000     1.563000      118.8367      110.3  
1 1 1 3  29 34 o 3.737000       1.145000      416.0700      -132.1 
1 1 1 3  29 35 o 31.01000       1.318000      920.9953      -88.0  
1 1 1 3  29 36 o 19.69000       1.061000      612.2599      -19.9  
1 1 1 3  29 37 o 8.219000       1.031000      348.6754      -26.8  
1 1 1 3  29 38 o 15.90000       1.168000      684.4339      15.5   
1 1 1 3  29 39 o 111.0000       2.616000      ?             ?      
1 1 1 3  29 40 o 26.22000       1.226000      673.1437      -117.1 
1 1 1 3  29 41 o 93.63000       2.319000      ?             ?      
1 1 1 3  29 42 o 10.94000       1.109000      498.7052      124.0  
1 1 1 3  29 43 o 14.82000       1.179000      554.8660      141.5  
1 1 1 3  29 44 o 6.159000       1.147000      285.1913      84.7   
1 1 1 3  29 45 o 20.37000       1.293000      617.0613      -131.3 
1 1 1 3  29 46 o 23.67000       1.372000      696.4428      -49.5  
1 1 1 3  29 47 o 24.78000       1.418000      519.0849      -147.3 
1 1 1 3  29 48 o 15.78000       1.350000      671.0051      -143.6 
1 1 1 3  29 49 o 18.84000       1.570000      676.6168      9.5    
1 1 1 3  29 50 o 8.801000       1.908000      369.4921      -126.5 
1 1 1 3  29 51 o 2.401000       1.495000      322.0857      -50.3  
1 1 1 3  29 52 o 28.34000       1.732000      865.8843      -54.8  
1 1 1 3  29 53 o 29.14000       2.157000      ?             ?      
1 1 1 3  29 54 o 7.137000       1.787000      ?             ?      
1 1 1 3  29 55 o 4.262000       1.451000      ?             ?      
1 1 1 3  29 56 o 15.30000       1.498000      ?             ?      
1 1 1 3  29 57 o 1.384000       1.248000      ?             ?      
1 1 1 3  29 58 o 6.796000       1.277000      ?             ?      
1 1 1 3  29 59 o 1.789000       1.260000      ?             ?      
1 1 1 3  29 60 o 9.926000       1.330000      ?             ?      
1 1 1 3  29 61 o 6.788000       1.314000      ?             ?      
1 1 1 3  29 62 o 5.381000       1.297000      ?             ?      
1 1 1 3  29 63 o 3.792000       1.302000      ?             ?      
1 1 1 3  29 64 o -1.223000      1.418000      ?             ?      
1 1 1 3  29 65 o 0.7595000      1.824000      ?             ?      
1 1 1 3  29 66 o 0.8355000      2.490000      ?             ?      
1 1 1 3  29 67 o 1.520000       1.734000      ?             ?      
1 1 1 3  29 69 o -0.6169000     1.380000      ?             ?      
1 1 1 3  30 0  o 95.74000       3.041000      1332.077      -90.0  
1 1 1 3  30 1  o 64.28000       1.601000      1329.143      -49.4  
1 1 1 3  30 2  o 80.62000       2.020000      1299.745      -136.1 
1 1 1 3  30 3  o 86.81000       2.515000      1567.378      135.8  
1 1 1 3  30 4  o 18.92000       0.9646000     919.7337      4.2    
1 1 1 3  30 5  o 106.5000       2.321000      1842.232      64.3   
1 1 1 3  30 6  o 10.37000       0.7558000     552.9664      151.6  
1 1 1 3  30 7  o 24.83000       0.9144000     1063.845      131.7  
1 1 1 3  30 8  o 76.47000       1.663000      1259.655      2.1    
1 1 1 3  30 9  o 74.48000       1.688000      907.0404      -40.8  
1 1 1 3  30 10 o 4.879000       1.076000      137.1263      -145.5 
1 1 1 3  30 11 o 30.19000       1.334000      647.4534      128.2  
1 1 1 3  30 12 o 295.9000       7.226000      2627.205      34.9   
1 1 1 3  30 13 o 21.14000       1.184000      494.6674      124.0  
1 1 1 3  30 14 o 26.74000       1.283000      987.1122      -71.8  
1 1 1 3  30 15 o 100.9000       2.774000      1245.781      -62.3  
1 1 1 3  30 16 o 26.86000       1.304000      546.7644      138.7  
1 1 1 3  30 17 o 29.17000       1.327000      960.3422      9.8    
1 1 1 3  30 18 o 8.044000       0.7261000     300.2519      14.2   
1 1 1 3  30 19 o 58.33000       2.644000      1108.064      -21.0  
1 1 1 3  30 20 o 23.26000       1.245000      755.5432      -175.6 
1 1 1 3  30 21 o 5.685000       0.9770000     457.1558      114.8  
1 1 1 3  30 22 o 13.01000       1.001000      464.7440      -6.6   
1 1 1 3  30 23 o 42.25000       1.160000      928.6646      -40.2  
1 1 1 3  30 24 o 14.31000       0.7097000     523.5277      -102.4 
1 1 1 3  30 25 o 26.28000       0.9112000     630.4277      -114.1 
1 1 1 3  30 26 o 12.05000       0.9146000     675.4657      108.0  
1 1 1 3  30 27 o 8.617000       0.7300000     467.1493      -102.4 
1 1 1 3  30 28 o 33.41000       1.075000      798.1212      -2.2   
1 1 1 3  30 29 o 46.57000       1.299000      861.7042      24.6   
1 1 1 3  30 30 o 1.599000       0.7698000     215.9487      -168.8 
1 1 1 3  30 31 o 15.61000       0.9424000     491.7644      123.8  
1 1 1 3  30 32 o 42.79000       1.666000      1105.492      -58.4  
1 1 1 3  30 33 o 48.65000       1.880000      830.0967      52.4   
1 1 1 3  30 34 o 68.04000       2.635000      1217.565      50.9   
1 1 1 3  30 35 o 34.27000       1.509000      866.3430      49.7   
1 1 1 3  30 36 o 50.48000       1.653000      1102.093      -17.8  
1 1 1 3  30 37 o 24.13000       1.383000      965.2426      138.6  
1 1 1 3  30 38 o 66.35000       2.031000      1294.698      21.1   
1 1 1 3  30 39 o 59.40000       1.698000      1081.697      78.3   
1 1 1 3  30 40 o 15.03000       1.102000      445.9178      161.8  
1 1 1 3  30 41 o 1.240000       1.015000      71.62886      3.8    
1 1 1 3  30 42 o 15.28000       1.146000      620.3342      -50.0  
1 1 1 3  30 43 o 0.2348000      1.098000      213.8865      99.4   
1 1 1 3  30 44 o 11.73000       1.195000      474.6987      -75.6  
1 1 1 3  30 45 o 17.16000       1.276000      679.1357      44.9   
1 1 1 3  30 46 o 14.22000       1.280000      552.0306      -20.4  
1 1 1 3  30 47 o 18.29000       1.348000      498.4178      27.7   
1 1 1 3  30 48 o 2.730000       1.256000      243.6311      -30.5  
1 1 1 3  30 49 o 9.930000       1.459000      513.1863      69.5   
1 1 1 3  30 50 o 2.856000       1.857000      74.82176      -166.9 
1 1 1 3  30 51 o 31.23000       2.433000      850.0855      -110.2 
1 1 1 3  30 52 o 12.07000       2.235000      ?             ?      
1 1 1 3  30 53 o 9.507000       1.768000      ?             ?      
1 1 1 3  30 54 o 2.844000       1.430000      ?             ?      
1 1 1 3  30 55 o 10.89000       1.338000      ?             ?      
1 1 1 3  30 56 o 0.8077000      1.252000      ?             ?      
1 1 1 3  30 57 o 3.806000       1.242000      ?             ?      
1 1 1 3  30 58 o 2.540000       1.238000      ?             ?      
1 1 1 3  30 59 o 2.499000       1.250000      ?             ?      
1 1 1 3  30 60 o 8.593000       1.295000      ?             ?      
1 1 1 3  30 61 o 0.1814000      1.249000      ?             ?      
1 1 1 3  30 62 o -0.9112000E-01 1.261000      ?             ?      
1 1 1 3  30 63 o 3.260000       1.289000      ?             ?      
1 1 1 3  30 64 o 5.444000       1.321000      ?             ?      
1 1 1 3  30 65 o 0.4000000      1.639000      ?             ?      
1 1 1 3  30 66 o -1.190000      2.683000      ?             ?      
1 1 1 3  30 67 o -0.3656000     1.764000      ?             ?      
1 1 1 3  30 68 o 2.742000       1.375000      ?             ?      
1 1 1 3  30 69 o 1.769000       1.396000      ?             ?      
1 1 1 3  31 0  o 9.971000       1.286000      416.2886      90.0   
1 1 1 3  31 1  o 119.4000       2.782000      1593.348      20.9   
1 1 1 3  31 2  o 38.99000       1.502000      1149.047      103.0  
1 1 1 3  31 3  o 29.04000       1.295000      655.6786      170.0  
1 1 1 3  31 4  o 94.39000       2.257000      1303.943      -167.0 
1 1 1 3  31 5  o 160.1000       3.319000      1986.193      -8.5   
1 1 1 3  31 6  o 13.07000       0.7764000     416.5583      104.6  
1 1 1 3  31 7  o 74.86000       1.722000      1188.728      -78.0  
1 1 1 3  31 8  o 43.08000       1.118000      1034.431      -173.5 
1 1 1 3  31 9  o 35.74000       1.139000      506.5121      103.2  
1 1 1 3  31 10 o 26.55000       1.332000      1007.411      120.4  
1 1 1 3  31 11 o 50.41000       1.777000      728.9346      166.0  
1 1 1 3  31 12 o 1.185000       0.9996000     427.6404      -25.5  
1 1 1 3  31 13 o 10.19000       1.042000      623.3491      173.0  
1 1 1 3  31 14 o 55.48000       1.797000      886.4897      -109.4 
1 1 1 3  31 15 o 55.46000       1.788000      977.0666      -94.3  
1 1 1 3  31 16 o 90.40000       2.526000      1129.512      88.1   
1 1 1 3  31 17 o 35.45000       1.821000      764.9688      -60.4  
1 1 1 3  31 18 o 90.87000       2.572000      1337.271      160.7  
1 1 1 3  31 19 o 138.0000       5.146000      1842.496      -111.4 
1 1 1 3  31 20 o 26.58000       1.297000      976.1952      53.2   
1 1 1 3  31 21 o 18.49000       0.9846000     510.1970      -33.8  
1 1 1 3  31 22 o 51.93000       1.553000      821.5948      51.7   
1 1 1 3  31 23 o 14.46000       1.036000      440.4375      -50.1  
1 1 1 3  31 24 o 15.14000       0.7164000     410.4754      26.6   
1 1 1 3  31 25 o 98.55000       2.382000      1410.121      -100.2 
1 1 1 3  31 26 o 55.84000       1.549000      1296.817      74.7   
1 1 1 3  31 27 o 15.96000       0.7949000     534.4542      -176.1 
1 1 1 3  31 28 o 9.658000       0.7514000     552.1207      -10.9  
1 1 1 3  31 29 o 55.47000       1.459000      987.1639      85.1   
1 1 1 3  31 30 o 22.27000       0.9372000     574.6076      105.6  
1 1 1 3  31 31 o 55.42000       1.486000      1276.392      -32.9  
1 1 1 3  31 32 o 24.29000       1.110000      681.8522      138.5  
1 1 1 3  31 33 o 23.72000       1.247000      746.8685      111.8  
1 1 1 3  31 34 o 2.102000       1.812000      263.6633      -83.8  
1 1 1 3  31 35 o 176.1000       5.416000      ?             ?      
1 1 1 3  31 36 o 49.42000       2.344000      1054.547      87.4   
1 1 1 3  31 37 o 3.497000       1.035000      352.9919      45.4   
1 1 1 3  31 38 o 7.183000       1.047000      365.2946      -111.6 
1 1 1 3  31 39 o 84.15000       2.379000      ?             ?      
1 1 1 3  31 40 o 19.26000       1.190000      623.9944      -112.6 
1 1 1 3  31 41 o 5.741000       1.052000      382.1055      -120.9 
1 1 1 3  31 42 o 4.624000       1.079000      237.8830      -165.2 
1 1 1 3  31 43 f 1.451000       1.111000      134.9932      109.3  
1 1 1 3  31 44 o 5.184000       1.179000      323.1651      32.2   
1 1 1 3  31 45 o 29.31000       1.438000      844.7872      70.5   
1 1 1 3  31 46 o 61.72000       1.920000      ?             ?      
1 1 1 3  31 47 o 0.9061000      1.233000      177.1407      -43.2  
1 1 1 3  31 48 o 2.654000       1.258000      225.0555      -28.4  
1 1 1 3  31 49 o 27.21000       1.644000      786.8464      23.5   
1 1 1 3  31 50 o 15.59000       1.644000      669.6691      -66.7  
1 1 1 3  31 51 o 6.489000       2.476000      ?             ?      
1 1 1 3  31 52 o 0.2696000      2.338000      ?             ?      
1 1 1 3  31 54 o 12.39000       1.347000      ?             ?      
1 1 1 3  31 55 o 5.692000       1.266000      ?             ?      
1 1 1 3  31 56 o -0.1617000     1.225000      ?             ?      
1 1 1 3  31 57 o 3.362000       1.238000      ?             ?      
1 1 1 3  31 58 o -0.2426000     1.218000      ?             ?      
1 1 1 3  31 59 o 11.47000       1.311000      ?             ?      
1 1 1 3  31 60 o 5.271000       1.265000      ?             ?      
1 1 1 3  31 61 o 3.035000       1.255000      ?             ?      
1 1 1 3  31 62 o 8.110000       1.313000      ?             ?      
1 1 1 3  31 63 o 2.310000       1.288000      ?             ?      
1 1 1 3  31 64 o 6.924000       1.333000      ?             ?      
1 1 1 3  31 65 o 3.480000       1.478000      ?             ?      
1 1 1 3  31 66 o -1.306000      2.458000      ?             ?      
1 1 1 3  31 67 o 1.884000       1.875000      ?             ?      
1 1 1 3  32 0  o 17.20000       1.374000      615.8663      -90.0  
1 1 1 3  32 1  o 102.1000       2.620000      1041.244      -144.7 
1 1 1 3  32 2  o 38.01000       1.430000      662.4847      104.3  
1 1 1 3  32 3  o 88.62000       2.185000      1291.082      88.9   
1 1 1 3  32 4  o 365.8000       7.291000      2613.393      -22.4  
1 1 1 3  32 5  o 93.26000       2.251000      1385.137      171.0  
1 1 1 3  32 6  o 13.52000       0.7851000     666.3725      58.6   
1 1 1 3  32 7  o 184.5000       3.771000      1349.566      13.0   
1 1 1 3  32 8  o 45.71000       1.187000      701.6310      17.4   
1 1 1 3  32 9  o 10.00000       0.6118000     538.9280      92.6   
1 1 1 3  32 10 o 27.50000       0.8242000     947.1917      -62.6  
1 1 1 3  32 11 o 67.11000       2.151000      1267.827      60.1   
1 1 1 3  32 12 o 3.786000       1.001000      420.0536      -35.2  
1 1 1 3  32 13 o 36.73000       1.419000      1119.179      -112.3 
1 1 1 3  32 14 o 1.366000       0.9601000     366.6477      -97.8  
1 1 1 3  32 15 o 8.167000       1.331000      349.1751      -115.7 
1 1 1 3  32 16 o 60.08000       2.298000      1252.105      18.0   
1 1 1 3  32 17 o 116.2000       3.707000      1640.001      -40.4  
1 1 1 3  32 18 o 44.13000       2.407000      1203.106      4.3    
1 1 1 3  32 19 o 23.49000       3.208000      732.2668      -140.5 
1 1 1 3  32 20 o 73.89000       3.171000      1161.415      64.0   
1 1 1 3  32 21 o 1.841000       1.047000      317.3935      134.2  
1 1 1 3  32 22 o 22.34000       1.248000      947.2256      5.3    
1 1 1 3  32 23 o 19.22000       0.9437000     603.9940      -80.6  
1 1 1 3  32 24 o 5.431000       1.135000      451.9123      -179.4 
1 1 1 3  32 25 o 3.766000       0.6180000     116.6981      156.3  
1 1 1 3  32 26 o 17.60000       0.8182000     612.2741      65.3   
1 1 1 3  32 27 o 17.78000       0.7844000     593.3057      98.0   
1 1 1 3  32 28 o 2.091000       0.6700000     314.0496      175.2  
1 1 1 3  32 29 o 1.997000       0.7027000     308.8245      -29.6  
1 1 1 3  32 30 o 56.03000       1.595000      1177.400      130.6  
1 1 1 3  32 31 o 1.732000       0.7528000     219.6185      105.1  
1 1 1 3  32 32 o 3.101000       0.7899000     457.4012      -173.3 
1 1 1 3  32 33 o 5.348000       0.9175000     497.5363      -102.0 
1 1 1 3  32 34 o 8.565000       1.096000      341.9774      -80.2  
1 1 1 3  32 35 o 46.82000       2.536000      1041.723      114.1  
1 1 1 3  32 36 o 20.04000       1.874000      711.4688      -106.1 
1 1 1 3  32 37 o 28.29000       1.318000      936.3325      95.8   
1 1 1 3  32 38 o 42.43000       1.572000      962.4308      -40.1  
1 1 1 3  32 39 o 4.208000       1.065000      449.0477      136.8  
1 1 1 3  32 40 o 31.68000       1.394000      730.5106      162.2  
1 1 1 3  32 41 o 9.721000       1.151000      466.6378      21.6   
1 1 1 3  32 42 o 24.18000       1.398000      741.1077      -174.2 
1 1 1 3  32 43 o 18.35000       1.316000      719.9612      37.1   
1 1 1 3  32 44 o 21.23000       1.323000      610.1738      -85.6  
1 1 1 3  32 45 o 28.04000       1.427000      860.2515      107.1  
1 1 1 3  32 46 o 21.32000       1.471000      799.7874      47.8   
1 1 1 3  32 47 o 1.751000       1.384000      209.5896      134.5  
1 1 1 3  32 48 o -0.1644000E-01 1.373000      23.83564      -28.2  
1 1 1 3  32 49 o 13.54000       1.535000      608.5197      124.6  
1 1 1 3  32 50 f 13.60000       1.689000      667.0229      -79.0  
1 1 1 3  32 51 o 27.53000       3.714000      ?             ?      
1 1 1 3  32 52 o 19.10000       2.656000      ?             ?      
1 1 1 3  32 53 o 5.841000       1.420000      ?             ?      
1 1 1 3  32 54 o 12.31000       1.296000      ?             ?      
1 1 1 3  32 57 o -1.306000      1.213000      ?             ?      
1 1 1 3  32 58 o 14.51000       1.319000      ?             ?      
1 1 1 3  32 59 o 9.144000       1.295000      ?             ?      
1 1 1 3  32 60 o 13.21000       1.344000      ?             ?      
1 1 1 3  32 61 o 3.145000       1.253000      ?             ?      
1 1 1 3  32 62 o 6.159000       1.294000      ?             ?      
1 1 1 3  32 63 o 1.528000       1.276000      ?             ?      
1 1 1 3  32 64 o 2.517000       1.439000      ?             ?      
1 1 1 3  32 65 o 0.3977000      1.563000      ?             ?      
1 1 1 3  32 66 o 5.774000       1.664000      ?             ?      
1 1 1 3  32 67 o 0.6182000      1.864000      ?             ?      
1 1 1 3  33 0  o 14.27000       1.504000      693.4732      -90.0  
1 1 1 3  33 1  o 13.48000       1.147000      698.7202      98.3   
1 1 1 3  33 2  o 30.49000       1.343000      557.8661      38.9   
1 1 1 3  33 3  o 0.7239000E-01  0.8308000     113.0632      -7.1   
1 1 1 3  33 4  o -2.050000      1.122000      161.3932      39.5   
1 1 1 3  33 5  o 57.44000       1.442000      1432.858      86.1   
1 1 1 3  33 6  o 24.23000       0.8956000     848.8726      -121.3 
1 1 1 3  33 7  o 17.71000       0.7898000     669.9165      83.8   
1 1 1 3  33 8  o 19.45000       0.7567000     385.5215      33.5   
1 1 1 3  33 9  o 59.55000       1.555000      1229.863      129.0  
1 1 1 3  33 10 o 72.26000       1.778000      1107.414      103.8  
1 1 1 3  33 11 o 81.71000       2.456000      1113.528      24.1   
1 1 1 3  33 12 o 13.12000       1.068000      735.1922      100.1  
1 1 1 3  33 13 o 25.18000       1.220000      508.1859      -50.0  
1 1 1 3  33 14 o 29.98000       1.650000      1219.839      -164.9 
1 1 1 3  33 15 o 15.21000       1.408000      754.2781      -12.4  
1 1 1 3  33 16 o 130.5000       4.048000      1454.355      77.9   
1 1 1 3  33 17 f 7.961000       1.375000      538.6791      155.4  
1 1 1 3  33 18 o 2.916000       1.832000      333.3828      133.5  
1 1 1 3  33 20 o 167.3000       10.22000      1773.189      24.7   
1 1 1 3  33 21 o 70.22000       2.159000      1413.842      112.8  
1 1 1 3  33 22 o 55.29000       1.846000      1054.033      -66.6  
1 1 1 3  33 23 o 69.12000       1.851000      1128.541      -124.3 
1 1 1 3  33 24 o 9.424000       0.8433000     410.2104      53.0   
1 1 1 3  33 25 o 15.86000       1.130000      414.4910      18.6   
1 1 1 3  33 26 o 2.533000       0.5155000     264.3455      135.1  
1 1 1 3  33 27 o 41.08000       1.253000      1050.692      -117.9 
1 1 1 3  33 28 o 13.83000       0.7418000     613.3846      102.5  
1 1 1 3  33 29 o -0.2141000     0.6606000     228.6848      175.3  
1 1 1 3  33 30 o 14.67000       0.8296000     607.9117      -100.2 
1 1 1 3  33 31 o 75.70000       1.837000      1097.938      -55.9  
1 1 1 3  33 32 o 27.75000       1.047000      835.3110      93.8   
1 1 1 3  33 33 o 0.4794000      0.8038000     406.1149      -139.9 
1 1 1 3  33 34 o 37.81000       1.494000      836.4485      -122.0 
1 1 1 3  33 35 o 19.55000       1.931000      673.3575      102.7  
1 1 1 3  33 36 o -2.157000      1.851000      115.2520      97.1   
1 1 1 3  33 37 o 4.970000       1.107000      294.1003      -67.7  
1 1 1 3  33 38 o 48.10000       1.496000      1050.917      -143.1 
1 1 1 3  33 39 o 0.2612000      0.9810000     214.8833      -138.4 
1 1 1 3  33 40 o 17.28000       1.216000      517.2062      -96.3  
1 1 1 3  33 41 o 17.87000       1.315000      650.6712      -113.3 
1 1 1 3  33 42 o 2.872000       1.161000      371.7822      30.3   
1 1 1 3  33 43 o 7.121000       1.227000      368.0946      -24.2  
1 1 1 3  33 44 o 38.07000       1.843000      993.7576      155.9  
1 1 1 3  33 45 o 39.12000       2.134000      845.6945      94.9   
1 1 1 3  33 46 o 6.121000       2.107000      292.8361      21.3   
1 1 1 3  33 47 o 16.77000       1.773000      716.3896      -101.3 
1 1 1 3  33 48 o 4.518000       1.395000      363.1469      136.5  
1 1 1 3  33 49 o 15.68000       1.370000      660.3224      31.8   
1 1 1 3  33 50 o 20.69000       1.558000      ?             ?      
1 1 1 3  33 51 o 4.146000       1.582000      ?             ?      
1 1 1 3  33 52 o 10.79000       1.869000      ?             ?      
1 1 1 3  33 53 o 15.96000       1.913000      ?             ?      
1 1 1 3  33 54 o 10.56000       1.411000      ?             ?      
1 1 1 3  33 55 o 3.984000       1.219000      ?             ?      
1 1 1 3  33 56 o 11.50000       1.274000      ?             ?      
1 1 1 3  33 57 o 2.920000       1.218000      ?             ?      
1 1 1 3  33 58 o 2.663000       1.224000      ?             ?      
1 1 1 3  33 59 o 15.65000       1.351000      ?             ?      
1 1 1 3  33 60 o 2.706000       1.246000      ?             ?      
1 1 1 3  33 61 o 1.733000       1.241000      ?             ?      
1 1 1 3  33 62 o 5.459000       1.290000      ?             ?      
1 1 1 3  33 63 o 5.786000       1.385000      ?             ?      
1 1 1 3  33 64 o 3.211000       1.459000      ?             ?      
1 1 1 3  33 65 o -0.1201000     1.445000      ?             ?      
1 1 1 3  33 66 o 0.3337000      1.313000      ?             ?      
1 1 1 3  33 67 o 0.5936000      1.885000      ?             ?      
1 1 1 3  34 0  o 3.385000       1.328000      96.48523      -90.0  
1 1 1 3  34 1  o 26.86000       1.235000      624.7683      39.1   
1 1 1 3  34 2  o 32.20000       1.351000      490.3956      128.8  
1 1 1 3  34 3  o 30.22000       1.027000      505.1058      154.6  
1 1 1 3  34 4  o 9.045000       0.7861000     302.4566      170.4  
1 1 1 3  34 5  o 198.1000       4.049000      1860.735      127.9  
1 1 1 3  34 6  o 5.599000       0.7176000     256.6408      16.5   
1 1 1 3  34 7  o 12.59000       0.7368000     564.1370      -175.3 
1 1 1 3  34 8  o 17.88000       0.7437000     1045.798      -110.5 
1 1 1 3  34 9  o 19.31000       0.7491000     700.5297      90.9   
1 1 1 3  34 10 o 6.677000       0.6827000     348.5191      9.6    
1 1 1 3  34 11 o 8.674000       1.021000      531.9011      17.6   
1 1 1 3  34 12 o 12.24000       1.033000      264.6691      -31.6  
1 1 1 3  34 13 o 45.95000       1.578000      921.7245      -117.4 
1 1 1 3  34 14 o 18.43000       2.004000      934.5853      117.5  
1 1 1 3  34 15 o 8.657000       1.316000      588.1512      -27.0  
1 1 1 3  34 16 o 35.06000       1.744000      930.0267      89.5   
1 1 1 3  34 17 o 33.44000       2.098000      947.4537      138.2  
1 1 1 3  34 18 o 3.417000       2.581000      389.2438      56.4   
1 1 1 3  34 19 o 28.08000       2.627000      925.0191      24.3   
1 1 1 3  34 20 o 17.39000       1.554000      947.9214      43.6   
1 1 1 3  34 21 o 1.023000       1.360000      212.5542      -50.9  
1 1 1 3  34 22 o 46.87000       2.077000      943.5004      -55.9  
1 1 1 3  34 23 o 32.44000       1.406000      801.4329      117.9  
1 1 1 3  34 24 o 7.775000       0.7977000     311.2674      166.1  
1 1 1 3  34 25 o 22.73000       1.206000      692.7858      -16.7  
1 1 1 3  34 26 o 2.369000       0.8707000     307.3666      36.3   
1 1 1 3  34 27 o 1.914000       0.6854000     80.91151      -92.6  
1 1 1 3  34 28 o 7.037000       0.6730000     463.3423      -70.3  
1 1 1 3  34 29 o 38.84000       1.236000      881.5229      -6.3   
1 1 1 3  34 30 o 39.33000       1.274000      922.5444      102.0  
1 1 1 3  34 31 o 4.737000       0.7409000     387.0026      -130.1 
1 1 1 3  34 32 o 17.82000       0.8960000     787.3913      -69.8  
1 1 1 3  34 33 o 46.46000       1.353000      880.8167      -6.2   
1 1 1 3  34 34 o 11.56000       0.9700000     549.0408      167.5  
1 1 1 3  34 35 o 0.6668000      1.137000      115.5152      -17.4  
1 1 1 3  34 36 o 20.13000       2.150000      649.8525      -77.1  
1 1 1 3  34 37 o 5.558000       1.511000      374.6893      -39.9  
1 1 1 3  34 38 o 12.57000       1.198000      579.8601      -154.6 
1 1 1 3  34 39 o 45.98000       1.495000      899.5977      5.5    
1 1 1 3  34 40 o 45.85000       1.540000      881.8996      -146.1 
1 1 1 3  34 41 o 22.01000       1.224000      659.5623      45.2   
1 1 1 3  34 42 o -1.380000      1.211000      221.5989      -92.4  
1 1 1 3  34 43 o 10.84000       1.546000      414.7048      -84.9  
1 1 1 3  34 44 o 5.415000       2.239000      317.9995      -59.2  
1 1 1 3  34 45 o 12.84000       1.810000      566.5332      53.0   
1 1 1 3  34 46 o 17.44000       1.602000      632.9979      2.2    
1 1 1 3  34 47 o 19.17000       1.406000      534.5635      -175.0 
1 1 1 3  34 48 o 4.260000       1.345000      319.6353      116.9  
1 1 1 3  34 49 o 8.454000       1.587000      ?             ?      
1 1 1 3  34 50 o 22.03000       1.777000      ?             ?      
1 1 1 3  34 51 f 6.846000       1.363000      ?             ?      
1 1 1 3  34 52 o -0.5231000     1.415000      ?             ?      
1 1 1 3  34 53 o 8.774000       1.818000      ?             ?      
1 1 1 3  34 54 o 18.08000       1.486000      ?             ?      
1 1 1 3  34 55 o 3.350000       1.208000      ?             ?      
1 1 1 3  34 56 o 10.99000       1.252000      ?             ?      
1 1 1 3  34 57 o 7.536000       1.236000      ?             ?      
1 1 1 3  34 58 o 5.676000       1.229000      ?             ?      
1 1 1 3  34 59 o 2.323000       1.234000      ?             ?      
1 1 1 3  34 60 o 8.427000       1.273000      ?             ?      
1 1 1 3  34 62 o 0.8003000E-01  1.265000      ?             ?      
1 1 1 3  34 63 o 5.620000       1.443000      ?             ?      
1 1 1 3  34 64 o -0.4711000     1.443000      ?             ?      
1 1 1 3  34 65 o 1.693000       1.335000      ?             ?      
1 1 1 3  34 66 o 2.040000       1.332000      ?             ?      
1 1 1 3  35 1  o 34.06000       1.773000      895.2748      -56.7  
1 1 1 3  35 2  o 2.458000       0.8239000     235.0066      17.4   
1 1 1 3  35 3  o 1.177000       0.7511000     110.7446      -17.1  
1 1 1 3  35 4  o 31.15000       1.015000      780.3369      142.9  
1 1 1 3  35 5  o 0.6300000      0.7220000     159.2694      70.5   
1 1 1 3  35 6  o 52.31000       1.324000      1011.504      -14.2  
1 1 1 3  35 7  o 44.26000       1.174000      1120.488      48.3   
1 1 1 3  35 8  o 4.817000       0.6163000     318.3857      143.2  
1 1 1 3  35 9  o 53.01000       1.293000      1201.753      53.4   
1 1 1 3  35 10 o 23.19000       0.7481000     949.3495      -168.3 
1 1 1 3  35 11 o 18.09000       1.159000      665.7946      -7.3   
1 1 1 3  35 12 o 19.96000       1.129000      710.3047      53.5   
1 1 1 3  35 13 o 50.31000       1.757000      1279.778      -160.2 
1 1 1 3  35 14 o 36.25000       1.734000      879.8848      120.5  
1 1 1 3  35 15 o 28.30000       1.596000      804.7612      -34.2  
1 1 1 3  35 16 o 86.82000       2.944000      1370.129      139.1  
1 1 1 3  35 17 o 57.04000       3.129000      1225.890      175.7  
1 1 1 3  35 19 o 16.32000       1.903000      606.1786      111.9  
1 1 1 3  35 20 o 49.98000       2.141000      1021.190      76.8   
1 1 1 3  35 21 o 9.760000       1.416000      310.9484      122.6  
1 1 1 3  35 22 o 104.4000       3.471000      1354.070      -64.0  
1 1 1 3  35 23 o 7.233000       1.397000      599.0861      72.8   
1 1 1 3  35 24 o 8.349000       1.037000      492.8412      33.8   
1 1 1 3  35 25 o 10.23000       0.8021000     445.2443      -106.0 
1 1 1 3  35 26 o 28.75000       1.087000      856.0103      -161.6 
1 1 1 3  35 27 o 3.528000       0.8887000     292.1953      -21.9  
1 1 1 3  35 28 o 7.317000       0.9420000     462.2924      84.0   
1 1 1 3  35 29 o 6.701000       0.6580000     311.8209      -160.3 
1 1 1 3  35 30 o 28.37000       1.051000      757.5540      13.0   
1 1 1 3  35 31 o 35.64000       1.141000      822.7071      -28.6  
1 1 1 3  35 32 o 6.428000       0.7687000     333.0198      105.5  
1 1 1 3  35 33 o -0.9630000     0.7726000     103.3963      10.4   
1 1 1 3  35 34 o 10.07000       0.9534000     402.9338      -10.9  
1 1 1 3  35 35 o 8.311000       0.9975000     536.8856      32.6   
1 1 1 3  35 36 o 15.10000       1.215000      493.6074      144.5  
1 1 1 3  35 37 o 52.11000       2.117000      997.2223      -75.7  
1 1 1 3  35 38 o 16.69000       1.394000      653.7672      -29.9  
1 1 1 3  35 39 o 2.100000       1.186000      112.9810      -94.2  
1 1 1 3  35 40 o 0.8470000E-01  1.204000      145.6986      -147.4 
1 1 1 3  35 41 o 16.74000       1.326000      734.9324      -61.6  
1 1 1 3  35 42 o 8.299000       1.373000      331.2824      -173.2 
1 1 1 3  35 43 o 4.857000       1.267000      329.6508      110.5  
1 1 1 3  35 44 o 12.88000       1.256000      560.2687      88.5   
1 1 1 3  35 45 o 19.07000       1.310000      620.2130      50.2   
1 1 1 3  35 46 o 26.85000       1.504000      738.0208      -144.4 
1 1 1 3  35 47 o 6.019000       1.274000      457.3840      168.3  
1 1 1 3  35 48 o 17.97000       1.471000      ?             ?      
1 1 1 3  35 49 o 22.69000       1.628000      ?             ?      
1 1 1 3  35 50 o 1.146000       1.388000      ?             ?      
1 1 1 3  35 51 o 2.874000       1.293000      ?             ?      
1 1 1 3  35 52 o 0.7467000      1.463000      ?             ?      
1 1 1 3  35 53 o 4.289000       2.236000      ?             ?      
1 1 1 3  35 55 o 4.649000       1.346000      ?             ?      
1 1 1 3  35 56 o 3.793000       1.198000      ?             ?      
1 1 1 3  35 57 o 1.143000       1.186000      ?             ?      
1 1 1 3  35 59 o 6.286000       1.254000      ?             ?      
1 1 1 3  35 60 o -1.039000      1.222000      ?             ?      
1 1 1 3  35 61 o 6.618000       1.283000      ?             ?      
1 1 1 3  35 62 o -0.5769000     1.380000      ?             ?      
1 1 1 3  35 63 o 5.417000       1.542000      ?             ?      
1 1 1 3  35 64 o 2.064000       1.436000      ?             ?      
1 1 1 3  35 65 o -1.496000      1.304000      ?             ?      
1 1 1 3  36 0  o 92.04000       5.835000      1559.547      90.0   
1 1 1 3  36 1  o 43.64000       2.044000      990.5518      81.2   
1 1 1 3  36 2  o 80.87000       1.998000      1407.933      110.9  
1 1 1 3  36 3  o 16.75000       0.8474000     422.3684      -82.7  
1 1 1 3  36 4  o 9.499000       0.7568000     350.7177      62.2   
1 1 1 3  36 5  o 1.722000       0.7075000     329.2561      11.6   
1 1 1 3  36 6  o 30.39000       0.9722000     561.6743      164.2  
1 1 1 3  36 7  o 1.745000       0.6410000     359.6135      5.4    
1 1 1 3  36 8  o 25.55000       0.8400000     711.1046      -102.5 
1 1 1 3  36 9  o 25.80000       0.8238000     695.4278      -65.9  
1 1 1 3  36 10 o 62.10000       1.582000      1204.451      21.5   
1 1 1 3  36 11 o 1.746000       0.9749000     223.7266      70.0   
1 1 1 3  36 12 o 7.939000       1.077000      447.8855      -132.5 
1 1 1 3  36 13 o 15.95000       1.069000      532.4294      -83.2  
1 1 1 3  36 14 o -1.844000      1.207000      130.8546      -19.0  
1 1 1 3  36 15 o 41.37000       1.848000      946.5856      -120.9 
1 1 1 3  36 16 o -0.2487000     1.539000      213.5215      -85.1  
1 1 1 3  36 17 o 8.040000       2.598000      495.4218      -171.0 
1 1 1 3  36 18 o 2.749000       2.003000      207.8420      23.3   
1 1 1 3  36 19 o 1.185000       1.330000      269.2245      -169.0 
1 1 1 3  36 20 o 15.81000       1.477000      610.5679      165.2  
1 1 1 3  36 21 o 10.29000       1.430000      528.6284      13.6   
1 1 1 3  36 22 o 0.2780000      1.360000      182.6582      -7.1   
1 1 1 3  36 23 o 19.26000       1.572000      628.7808      13.1   
1 1 1 3  36 24 o 44.89000       2.053000      1118.205      -83.8  
1 1 1 3  36 25 o 29.75000       1.756000      695.9592      -4.3   
1 1 1 3  36 26 o 2.085000       0.7117000     251.2763      17.0   
1 1 1 3  36 27 o 4.645000       0.7397000     400.2641      -135.2 
1 1 1 3  36 28 o 8.619000       0.8975000     320.0640      -11.9  
1 1 1 3  36 29 o 12.50000       0.8272000     457.2736      53.2   
1 1 1 3  36 30 o 12.34000       0.7992000     630.9412      90.1   
1 1 1 3  36 31 o 2.395000       0.6818000     141.7852      -115.5 
1 1 1 3  36 32 o 1.016000       0.7164000     96.96857      -53.3  
1 1 1 3  36 33 o 7.354000       0.8547000     325.4012      141.3  
1 1 1 3  36 34 o 12.47000       1.081000      632.2273      -162.6 
1 1 1 3  36 35 o 84.21000       2.634000      ?             ?      
1 1 1 3  36 36 o 2.312000       1.011000      325.5965      126.0  
1 1 1 3  36 37 o -0.9867000     1.451000      113.7277      2.3    
1 1 1 3  36 38 o 18.56000       1.713000      635.0149      33.1   
1 1 1 3  36 39 o -1.024000      1.583000      63.36461      73.4   
1 1 1 3  36 40 o 1.194000       1.324000      184.3411      -97.8  
1 1 1 3  36 41 o 10.80000       1.241000      454.9753      -13.2  
1 1 1 3  36 42 o 38.47000       1.636000      931.4558      169.0  
1 1 1 3  36 43 o 2.373000       1.125000      218.0424      -43.6  
1 1 1 3  36 44 o 14.68000       1.226000      475.5951      -38.3  
1 1 1 3  36 45 o 4.011000       1.166000      247.3866      -40.0  
1 1 1 3  36 46 o 3.205000       1.178000      317.3124      -160.3 
1 1 1 3  36 47 o 9.582000       1.213000      ?             ?      
1 1 1 3  36 48 o 2.631000       1.288000      ?             ?      
1 1 1 3  36 49 o 7.393000       1.452000      ?             ?      
1 1 1 3  36 50 o 0.1977000      1.250000      ?             ?      
1 1 1 3  36 51 o 17.62000       1.414000      ?             ?      
1 1 1 3  36 52 o 3.746000       1.215000      ?             ?      
1 1 1 3  36 53 o 0.4708000      1.399000      ?             ?      
1 1 1 3  36 54 o 2.931000       1.864000      ?             ?      
1 1 1 3  36 55 o 0.7287000E-01  2.220000      ?             ?      
1 1 1 3  36 56 o 1.737000       1.361000      ?             ?      
1 1 1 3  36 57 o 7.681000       1.232000      ?             ?      
1 1 1 3  36 58 o 6.752000       1.253000      ?             ?      
1 1 1 3  36 59 o 0.9490000      1.204000      ?             ?      
1 1 1 3  36 60 o 5.891000       1.251000      ?             ?      
1 1 1 3  36 61 o 2.297000       1.262000      ?             ?      
1 1 1 3  36 62 o 2.131000       1.384000      ?             ?      
1 1 1 3  36 63 o 0.6504000      1.410000      ?             ?      
1 1 1 3  36 64 o 4.318000       1.322000      ?             ?      
1 1 1 3  36 65 o 0.1526000      1.306000      ?             ?      
1 1 1 3  37 0  o 5.828000       1.667000      320.0855      90.0   
1 1 1 3  37 1  o 25.01000       1.287000      501.3254      131.3  
1 1 1 3  37 2  o 12.58000       0.9030000     466.2766      106.6  
1 1 1 3  37 3  o 38.56000       1.144000      691.4594      5.6    
1 1 1 3  37 4  o 50.88000       1.321000      1003.598      58.7   
1 1 1 3  37 5  o 0.9400000      0.7000000     241.7526      128.9  
1 1 1 3  37 6  o 5.633000       0.6963000     326.9455      171.9  
1 1 1 3  37 7  o 95.99000       2.094000      1295.179      5.3    
1 1 1 3  37 8  o 26.28000       0.8735000     536.6281      73.8   
1 1 1 3  37 9  o 0.4843000      0.5660000     69.73337      -17.5  
1 1 1 3  37 10 o 11.30000       0.7034000     594.9289      78.9   
1 1 1 3  37 11 o 43.10000       1.627000      718.9822      62.2   
1 1 1 3  37 12 o 20.88000       1.153000      544.5685      106.6  
1 1 1 3  37 13 f 1.384000       0.9448000     339.1934      105.0  
1 1 1 3  37 14 o 62.68000       2.043000      878.6785      25.7   
1 1 1 3  37 15 o 2.485000       1.256000      265.0234      -92.0  
1 1 1 3  37 16 o 26.22000       2.199000      737.0969      160.6  
1 1 1 3  37 17 o 0.7791000      2.889000      173.4743      158.1  
1 1 1 3  37 18 o 12.92000       1.785000      368.5374      -76.6  
1 1 1 3  37 19 o 29.34000       1.705000      614.6408      156.1  
1 1 1 3  37 20 o 26.66000       1.675000      651.4338      -28.2  
1 1 1 3  37 21 o 8.476000       1.408000      385.5670      -57.5  
1 1 1 3  37 22 o 42.07000       1.996000      968.8298      57.0   
1 1 1 3  37 23 o 5.641000       1.384000      198.9359      21.3   
1 1 1 3  37 24 o 4.572000       1.391000      346.1588      162.6  
1 1 1 3  37 25 o 11.13000       1.496000      514.5878      134.3  
1 1 1 3  37 26 o 7.111000       1.457000      295.1600      72.6   
1 1 1 3  37 27 o 15.91000       1.211000      630.7978      -19.1  
1 1 1 3  37 28 o 8.499000       0.8928000     393.2834      146.8  
1 1 1 3  37 29 o 23.07000       1.208000      585.7523      84.4   
1 1 1 3  37 30 o 30.28000       1.191000      780.6452      -25.1  
1 1 1 3  37 31 o 38.84000       1.268000      792.9886      -170.5 
1 1 1 3  37 32 o 1.115000       0.7015000     225.8473      6.5    
1 1 1 3  37 33 o 2.827000       0.8443000     192.3634      -37.6  
1 1 1 3  37 34 o 6.583000       0.9357000     351.8890      106.3  
1 1 1 3  37 35 o -0.5259000     1.100000      202.5012      177.4  
1 1 1 3  37 36 o 3.873000       1.248000      169.1732      44.7   
1 1 1 3  37 37 o 61.04000       2.390000      996.1039      -113.7 
1 1 1 3  37 38 o 4.112000       1.492000      185.0155      141.1  
1 1 1 3  37 39 o 18.69000       1.739000      581.2853      132.3  
1 1 1 3  37 40 o 4.153000       1.409000      272.3292      -106.8 
1 1 1 3  37 41 o 5.591000       1.122000      349.8585      -154.9 
1 1 1 3  37 42 o 5.638000       1.136000      312.0713      147.7  
1 1 1 3  37 43 o -0.1205000     1.103000      107.3696      37.4   
1 1 1 3  37 44 o 0.5622000      1.093000      51.21438      3.8    
1 1 1 3  37 45 o 6.933000       1.123000      245.1065      -122.7 
1 1 1 3  37 46 o 0.4957000      1.105000      ?             ?      
1 1 1 3  37 47 o 3.386000       1.132000      ?             ?      
1 1 1 3  37 48 o -1.314000      1.239000      ?             ?      
1 1 1 3  37 49 o 2.504000       1.247000      ?             ?      
1 1 1 3  37 50 o 22.79000       1.339000      ?             ?      
1 1 1 3  37 51 o 5.997000       1.149000      ?             ?      
1 1 1 3  37 52 o 1.828000       1.112000      ?             ?      
1 1 1 3  37 53 o 2.037000       1.183000      ?             ?      
1 1 1 3  37 54 o 12.33000       1.729000      ?             ?      
1 1 1 3  37 55 o 1.774000       1.702000      ?             ?      
1 1 1 3  37 56 o 1.059000       1.532000      ?             ?      
1 1 1 3  37 57 o 2.400000       1.232000      ?             ?      
1 1 1 3  37 58 o 2.320000       1.299000      ?             ?      
1 1 1 3  37 59 o 4.465000       1.290000      ?             ?      
1 1 1 3  37 60 o 4.796000       1.314000      ?             ?      
1 1 1 3  37 61 o 0.2103000      1.356000      ?             ?      
1 1 1 3  37 62 o 0.9494000      1.493000      ?             ?      
1 1 1 3  37 63 o 2.923000       1.439000      ?             ?      
1 1 1 3  37 64 o 0.6509000      1.278000      ?             ?      
1 1 1 3  38 0  o 8.752000       2.149000      434.3467      90.0   
1 1 1 3  38 1  o 18.28000       1.433000      487.0661      122.0  
1 1 1 3  38 2  o 23.09000       1.017000      685.3126      79.8   
1 1 1 3  38 3  o 23.86000       0.9386000     604.0109      -116.8 
1 1 1 3  38 4  o 7.827000       0.7591000     411.3424      -74.1  
1 1 1 3  38 5  o 47.67000       1.267000      976.8185      -50.3  
1 1 1 3  38 6  o 2.626000       0.6839000     229.8924      -152.9 
1 1 1 3  38 7  o 23.46000       0.9474000     749.6181      53.5   
1 1 1 3  38 8  o 9.026000       0.6537000     444.4822      155.6  
1 1 1 3  38 9  o 11.58000       0.6456000     434.1305      -48.4  
1 1 1 3  38 10 o 43.19000       1.251000      837.5964      -160.4 
1 1 1 3  38 11 o 73.21000       2.291000      1030.726      -154.6 
1 1 1 3  38 12 o 18.19000       1.139000      568.1262      -98.9  
1 1 1 3  38 13 o 2.521000       0.9450000     136.0242      -20.5  
1 1 1 3  38 14 o 19.79000       1.452000      712.0756      -80.9  
1 1 1 3  38 15 o 7.889000       1.600000      392.8833      -142.7 
1 1 1 3  38 16 o 1.030000       2.614000      229.8537      126.4  
1 1 1 3  38 17 o 4.146000       2.691000      306.3113      -147.6 
1 1 1 3  38 18 o 7.559000       1.371000      264.2560      147.7  
1 1 1 3  38 19 o 4.224000       1.342000      222.9299      -41.5  
1 1 1 3  38 20 o 4.084000       1.365000      311.9180      21.4   
1 1 1 3  38 21 o 1.278000       1.370000      163.4409      -95.5  
1 1 1 3  38 22 o 7.391000       1.417000      506.2262      -77.7  
1 1 1 3  38 23 o 16.42000       1.524000      485.3863      149.0  
1 1 1 3  38 24 o 0.4444000      1.366000      182.9665      -109.4 
1 1 1 3  38 25 o 7.224000       1.461000      302.3365      -30.1  
1 1 1 3  38 26 o 21.74000       1.714000      597.6600      -156.8 
1 1 1 3  38 27 o 9.406000       1.558000      450.1512      -122.5 
1 1 1 3  38 28 o 6.105000       1.160000      278.8936      57.2   
1 1 1 3  38 29 o 5.421000       0.8039000     495.7687      130.1  
1 1 1 3  38 30 o 1.671000       0.7817000     71.25047      -120.2 
1 1 1 3  38 31 o 0.1473000      0.9152000     75.96214      -154.9 
1 1 1 3  38 32 o 27.22000       1.394000      659.5087      -120.8 
1 1 1 3  38 33 o 1.027000       0.9668000     101.5169      -39.9  
1 1 1 3  38 34 o 20.16000       1.790000      645.2351      72.7   
1 1 1 3  38 35 o 1.805000       1.034000      83.38960      114.9  
1 1 1 3  38 36 o 26.51000       1.421000      589.0519      -102.2 
1 1 1 3  38 37 o 0.8379000      0.9559000     104.9863      -93.3  
1 1 1 3  38 38 o 5.215000       1.120000      429.0427      -43.6  
1 1 1 3  38 39 o -1.443000      1.244000      146.6606      82.3   
1 1 1 3  38 40 o 5.037000       1.619000      353.1332      -171.2 
1 1 1 3  38 41 o 4.182000       1.406000      375.4677      -80.8  
1 1 1 3  38 42 o 0.4809000      1.077000      98.65534      103.2  
1 1 1 3  38 43 o 4.474000       1.107000      261.8760      -30.0  
1 1 1 3  38 44 o 1.399000       1.102000      196.7600      -122.6 
1 1 1 3  38 45 o -0.2285000     1.083000      ?             ?      
1 1 1 3  38 46 o 3.494000       1.098000      ?             ?      
1 1 1 3  38 47 o 0.9397000      1.185000      ?             ?      
1 1 1 3  38 48 o 20.36000       1.528000      ?             ?      
1 1 1 3  38 49 o 4.576000       1.226000      ?             ?      
1 1 1 3  38 50 o 2.814000       1.090000      ?             ?      
1 1 1 3  38 51 o 0.5248000      1.073000      ?             ?      
1 1 1 3  38 52 o 1.812000       1.093000      ?             ?      
1 1 1 3  38 53 o -0.2625000     1.089000      ?             ?      
1 1 1 3  38 54 o 1.765000       1.247000      ?             ?      
1 1 1 3  38 55 o 0.2965000      1.683000      ?             ?      
1 1 1 3  38 56 o 1.584000       2.263000      ?             ?      
1 1 1 3  38 57 o 3.553000       1.373000      ?             ?      
1 1 1 3  38 58 o 0.7201000      1.255000      ?             ?      
1 1 1 3  38 59 o 3.542000       1.236000      ?             ?      
1 1 1 3  38 60 o 2.245000       1.246000      ?             ?      
1 1 1 3  38 61 o 0.1908000      1.329000      ?             ?      
1 1 1 3  38 62 o 0.5565000      1.552000      ?             ?      
1 1 1 3  38 63 o 0.2895000      1.328000      ?             ?      
1 1 1 3  39 0  o 5.920000       1.472000      146.8570      90.0   
1 1 1 3  39 1  o 0.8762000      1.068000      259.2076      140.4  
1 1 1 3  39 2  o 13.09000       0.9122000     338.1707      15.6   
1 1 1 3  39 3  o 9.581000       0.7864000     357.1902      -5.8   
1 1 1 3  39 4  o 7.506000       0.7517000     391.2495      75.5   
1 1 1 3  39 5  o 6.890000       0.7452000     291.4120      -76.1  
1 1 1 3  39 6  o 6.452000       0.7038000     270.7879      107.7  
1 1 1 3  39 7  o 1.834000       0.6452000     318.8689      -84.8  
1 1 1 3  39 8  o 3.325000       0.6168000     165.5529      -160.5 
1 1 1 3  39 9  o 3.730000       0.6033000     317.2652      -29.0  
1 1 1 3  39 10 o 3.885000       0.6485000     287.6450      26.5   
1 1 1 3  39 11 o 16.91000       1.153000      538.7839      -81.8  
1 1 1 3  39 12 o 2.050000       0.9591000     285.8271      94.6   
1 1 1 3  39 13 o 1.630000       0.9404000     80.03443      52.8   
1 1 1 3  39 14 o 18.39000       1.476000      579.0293      -107.6 
1 1 1 3  39 15 o 3.211000       2.537000      214.9722      -104.0 
1 1 1 3  39 16 o -1.850000      2.928000      101.8674      25.4   
1 1 1 3  39 17 o 8.879000       1.752000      462.3033      -52.1  
1 1 1 3  39 18 o 4.811000       1.353000      318.8209      88.7   
1 1 1 3  39 19 o 5.588000       1.371000      229.0944      148.2  
1 1 1 3  39 20 o 21.79000       1.596000      606.8503      -39.3  
1 1 1 3  39 21 o 2.816000       1.378000      57.67507      29.1   
1 1 1 3  39 22 o 1.892000       1.368000      42.29108      152.6  
1 1 1 3  39 23 o 0.6377000      1.362000      100.9098      -110.3 
1 1 1 3  39 24 o 1.074000       1.392000      128.7248      -137.1 
1 1 1 3  39 25 o 9.209000       1.533000      471.9247      -45.1  
1 1 1 3  39 26 o 0.5155000      1.526000      182.6541      70.0   
1 1 1 3  39 27 o 8.580000       1.619000      294.6949      -151.5 
1 1 1 3  39 28 o -0.6701000E-01 1.569000      104.0959      18.3   
1 1 1 3  39 29 o 4.846000       1.609000      352.9103      90.2   
1 1 1 3  39 30 o 2.941000       0.7976000     209.8908      26.3   
1 1 1 3  39 31 o 0.4227000      1.394000      158.6649      -48.8  
1 1 1 3  39 32 o 0.1200000      1.518000      156.2043      -45.4  
1 1 1 3  39 33 o 3.132000       0.8344000     207.1572      3.3    
1 1 1 3  39 34 o 9.729000       0.9279000     497.1903      32.0   
1 1 1 3  39 35 o 12.18000       1.153000      524.9656      -42.6  
1 1 1 3  39 36 o 3.114000       0.8551000     213.2426      -67.2  
1 1 1 3  39 37 o 0.9555000      1.106000      287.1703      120.4  
1 1 1 3  39 38 o 4.045000       0.9685000     254.6551      -151.5 
1 1 1 3  39 39 o 1.695000       1.099000      70.27641      156.1  
1 1 1 3  39 40 o 1.571000       1.247000      92.35703      83.4   
1 1 1 3  39 41 o 0.8308000      1.628000      153.1866      -73.2  
1 1 1 3  39 42 o 2.103000       1.397000      102.7803      54.2   
1 1 1 3  39 43 o 6.505000       1.098000      255.9836      -82.2  
1 1 1 3  39 44 o 1.621000       1.093000      ?             ?      
1 1 1 3  39 45 o 1.341000       1.087000      ?             ?      
1 1 1 3  39 46 o 2.091000       1.082000      ?             ?      
1 1 1 3  39 47 o 1.407000       1.150000      ?             ?      
1 1 1 3  39 48 o 0.3391000      1.141000      ?             ?      
1 1 1 3  39 49 o 1.348000       1.063000      ?             ?      
1 1 1 3  39 50 o 0.4763000      1.055000      ?             ?      
1 1 1 3  39 51 o 1.428000       1.072000      ?             ?      
1 1 1 3  39 52 o -1.544000      1.057000      ?             ?      
1 1 1 3  39 53 o 0.4405000      1.079000      ?             ?      
1 1 1 3  39 54 o 4.792000       1.162000      ?             ?      
1 1 1 3  39 55 o 1.190000       1.247000      ?             ?      
1 1 1 3  39 56 o 1.881000       1.716000      ?             ?      
1 1 1 3  39 57 o -1.871000      1.711000      ?             ?      
1 1 1 3  39 58 o 0.1413000      1.288000      ?             ?      
1 1 1 3  39 59 o 0.4287000      1.228000      ?             ?      
1 1 1 3  39 60 o -0.7995000     1.387000      ?             ?      
1 1 1 3  39 61 o 2.240000       1.974000      ?             ?      
1 1 1 3  39 62 o 0.4384000      1.334000      ?             ?      
1 1 1 3  40 0  o 4.156000       1.243000      307.5421      -90.0  
1 1 1 3  40 1  o 12.62000       1.015000      392.6811      150.1  
1 1 1 3  40 2  o 2.595000       1.111000      111.3521      48.6   
1 1 1 3  40 3  o 8.648000       0.8439000     260.4818      24.8   
1 1 1 3  40 4  o 11.97000       0.7953000     407.6828      -55.7  
1 1 1 3  40 5  o 13.58000       0.8072000     358.5692      -122.6 
1 1 1 3  40 6  o 2.714000       0.6896000     104.7107      -131.4 
1 1 1 3  40 7  o 4.788000       0.6871000     59.74775      -38.0  
1 1 1 3  40 8  o 3.391000       0.6352000     177.0193      33.2   
1 1 1 3  40 9  o 14.42000       0.6910000     299.3049      -30.7  
1 1 1 3  40 10 o 5.471000       0.5447000     233.6866      -107.6 
1 1 1 3  40 11 o 7.992000       1.046000      314.8933      160.9  
1 1 1 3  40 12 o 20.13000       1.218000      542.9880      -63.4  
1 1 1 3  40 13 o 14.01000       1.371000      343.6010      -22.4  
1 1 1 3  40 14 o 1.493000       1.584000      148.3982      113.7  
1 1 1 3  40 15 o -0.4066000     2.617000      193.5956      -84.1  
1 1 1 3  40 16 o 11.35000       2.933000      420.2246      31.3   
1 1 1 3  40 17 o 10.73000       1.459000      331.4965      -117.1 
1 1 1 3  40 18 o 3.789000       1.353000      210.9514      98.6   
1 1 1 3  40 19 o 2.252000       1.360000      36.31551      30.7   
1 1 1 3  40 20 o 11.10000       1.463000      327.7471      -72.0  
1 1 1 3  40 21 o 2.056000       1.394000      126.3983      15.4   
1 1 1 3  40 22 o -0.2615000     1.396000      82.40581      96.7   
1 1 1 3  40 23 o 1.821000       1.424000      87.30761      -68.6  
1 1 1 3  40 24 o 3.771000       1.468000      130.8734      -47.0  
1 1 1 3  40 25 o 14.69000       1.636000      451.4320      -120.8 
1 1 1 3  40 26 o 3.667000       1.572000      293.3614      120.1  
1 1 1 3  40 27 o -0.2147000     1.576000      106.5511      -106.7 
1 1 1 3  40 28 o -2.646000      1.605000      56.46681      163.5  
1 1 1 3  40 29 o 13.72000       1.782000      415.7646      164.4  
1 1 1 3  40 30 o 0.8656000      1.697000      176.5176      -169.3 
1 1 1 3  40 31 o 1.331000       1.828000      100.1725      -106.7 
1 1 1 3  40 32 o 0.5086000      0.8730000     126.2714      -137.9 
1 1 1 3  40 33 o 6.662000       1.098000      245.1818      74.6   
1 1 1 3  40 34 o 6.455000       0.7709000     306.2039      117.6  
1 1 1 3  40 35 o 1.497000       0.7316000     98.45968      -115.8 
1 1 1 3  40 36 o 5.422000       0.8880000     277.2675      25.0   
1 1 1 3  40 37 o 6.866000       0.8484000     325.1406      -82.1  
1 1 1 3  40 38 o 0.9453000      0.8621000     63.06300      -156.8 
1 1 1 3  40 39 o 1.466000       0.9413000     114.1214      94.6   
1 1 1 3  40 40 o 0.2547000      1.242000      119.2422      -27.6  
1 1 1 3  40 41 o 2.088000       1.209000      145.8454      36.0   
1 1 1 3  40 42 o 6.488000       1.689000      ?             ?      
1 1 1 3  40 43 o 6.565000       1.257000      ?             ?      
1 1 1 3  40 44 o 1.275000       1.044000      ?             ?      
1 1 1 3  40 45 o 0.8897000      1.033000      ?             ?      
1 1 1 3  40 46 o 0.7685000      1.111000      ?             ?      
1 1 1 3  40 47 o 1.032000       1.218000      ?             ?      
1 1 1 3  40 48 o 2.821000       1.138000      ?             ?      
1 1 1 3  40 49 o 3.808000       1.055000      ?             ?      
1 1 1 3  40 50 o 1.074000       1.047000      ?             ?      
1 1 1 3  40 51 o 0.5200000      1.057000      ?             ?      
1 1 1 3  40 52 o 1.299000       1.075000      ?             ?      
1 1 1 3  40 53 o 1.912000       1.080000      ?             ?      
1 1 1 3  40 54 o -1.713000      1.077000      ?             ?      
1 1 1 3  40 55 o 0.8295000      1.102000      ?             ?      
1 1 1 3  40 56 o 1.294000       1.260000      ?             ?      
1 1 1 3  40 57 o -1.936000      1.720000      ?             ?      
1 1 1 3  40 58 o -0.6850000     1.720000      ?             ?      
1 1 1 3  40 59 o 0.6583000      1.299000      ?             ?      
1 1 1 3  40 60 o 0.2464000      1.284000      ?             ?      
1 1 1 3  40 61 o 3.617000       1.315000      ?             ?      
1 1 1 3  40 62 o 0.9739000      1.360000      ?             ?      
1 1 1 3  41 0  o 1.225000       1.217000      70.70993      90.0   
1 1 1 3  41 1  o 5.747000       0.8756000     209.4331      88.1   
1 1 1 3  41 2  o -0.7403000     0.9755000     113.1880      -11.7  
1 1 1 3  41 3  o 7.050000       0.8481000     146.8949      -10.5  
1 1 1 3  41 4  o 3.158000       0.7398000     258.7120      -60.7  
1 1 1 3  41 5  o 7.425000       0.7504000     171.6160      -54.7  
1 1 1 3  41 6  o 0.5322000      0.7222000     67.64498      51.0   
1 1 1 3  41 7  o 3.593000       0.6618000     97.96945      -177.9 
1 1 1 3  41 8  o 1.643000       0.6315000     98.76407      71.7   
1 1 1 3  41 9  o 3.139000       0.6070000     100.6280      88.4   
1 1 1 3  41 10 o -0.1360000     0.5333000     68.87698      113.5  
1 1 1 3  41 11 o 7.460000       1.027000      139.5208      61.3   
1 1 1 3  41 12 o 3.258000       1.093000      68.70518      97.3   
1 1 1 3  41 13 o 2.425000       1.283000      122.3930      -134.7 
1 1 1 3  41 14 o -0.4181000     1.598000      208.6976      -124.9 
1 1 1 3  41 16 o 11.74000       1.884000      359.1431      53.9   
1 1 1 3  41 17 o 4.790000       1.410000      321.1829      -147.4 
1 1 1 3  41 18 o 2.770000       1.375000      129.7145      1.3    
1 1 1 3  41 19 o 6.971000       1.433000      257.8023      134.7  
1 1 1 3  41 20 o 5.981000       1.421000      298.0491      -50.1  
1 1 1 3  41 21 o 2.457000       1.400000      130.6662      45.1   
1 1 1 3  41 22 o 1.218000       1.416000      244.1586      140.6  
1 1 1 3  41 23 o 2.619000       1.467000      209.3521      -86.4  
1 1 1 3  41 24 o 4.961000       1.506000      172.5506      45.3   
1 1 1 3  41 25 o 2.992000       1.538000      194.7691      -174.2 
1 1 1 3  41 26 o -3.177000      1.558000      108.6958      -132.1 
1 1 1 3  41 27 o 17.47000       1.823000      401.6765      -81.9  
1 1 1 3  41 28 o 1.316000       1.682000      148.0315      70.3   
1 1 1 3  41 29 o 9.309000       1.809000      303.6373      19.8   
1 1 1 3  41 30 o 8.734000       2.274000      218.7792      -18.5  
1 1 1 3  41 31 o 0.7052000      3.869000      38.72078      173.3  
1 1 1 3  41 32 o 12.73000       2.301000      273.2746      -23.6  
1 1 1 3  41 33 o 4.428000       0.9703000     179.7412      -30.5  
1 1 1 3  41 34 o -1.611000      0.8298000     67.17736      77.4   
1 1 1 3  41 35 o 1.301000       0.6349000     28.62097      -131.4 
1 1 1 3  41 36 o 2.998000       0.9433000     205.6134      126.2  
1 1 1 3  41 37 o 2.192000       0.7669000     214.3933      -18.3  
1 1 1 3  41 38 o 1.241000       0.7928000     130.6196      92.8   
1 1 1 3  41 39 o 2.623000       0.8664000     147.1735      5.5    
1 1 1 3  41 40 o 0.1577000      0.9158000     77.07436      -53.1  
1 1 1 3  41 41 o -0.3542000     1.176000      ?             ?      
1 1 1 3  41 42 o 2.813000       1.169000      ?             ?      
1 1 1 3  41 43 o 5.003000       1.180000      ?             ?      
1 1 1 3  41 44 o 6.064000       1.195000      ?             ?      
1 1 1 3  41 45 o 2.630000       1.022000      ?             ?      
1 1 1 3  41 46 o 3.266000       1.092000      ?             ?      
1 1 1 3  41 47 o 3.598000       1.115000      ?             ?      
1 1 1 3  41 48 o -0.6941000     1.030000      ?             ?      
1 1 1 3  41 49 o -0.3297000     1.012000      ?             ?      
1 1 1 3  41 50 o -0.6104000E-01 1.036000      ?             ?      
1 1 1 3  41 51 o 2.594000       1.052000      ?             ?      
1 1 1 3  41 52 o -0.4872000     1.050000      ?             ?      
1 1 1 3  41 53 o 0.8553000E-01  1.063000      ?             ?      
1 1 1 3  41 54 o 1.531000       1.096000      ?             ?      
1 1 1 3  41 55 o 4.923000       1.140000      ?             ?      
1 1 1 3  41 56 o -0.6209000     1.099000      ?             ?      
1 1 1 3  41 57 o 0.1546000      1.353000      ?             ?      
1 1 1 3  41 58 o 3.302000       1.665000      ?             ?      
1 1 1 3  41 59 o -2.343000      1.599000      ?             ?      
1 1 1 3  41 60 o -0.8953000     1.410000      ?             ?      
1 1 1 3  41 61 o -2.131000      1.295000      ?             ?      
1 1 1 3  42 0  o 6.072000       1.118000      70.89245      -90.0  
1 1 1 3  42 1  o 1.279000       0.8601000     76.59296      22.6   
1 1 1 3  42 2  o 6.116000       0.9851000     155.3298      31.1   
1 1 1 3  42 3  o 4.472000       0.9188000     174.5903      -15.0  
1 1 1 3  42 4  o 1.998000       0.7339000     147.5597      135.2  
1 1 1 3  42 5  o 3.613000       0.7235000     100.8655      -168.4 
1 1 1 3  42 6  o 6.057000       0.7298000     208.1132      -25.1  
1 1 1 3  42 7  o -0.1277000     0.6628000     66.22794      2.7    
1 1 1 3  42 8  o 4.007000       0.6681000     228.3473      81.1   
1 1 1 3  42 9  o 7.148000       0.7133000     143.8825      105.5  
1 1 1 3  42 10 o 10.03000       0.7302000     316.2456      151.8  
1 1 1 3  42 11 o 10.62000       0.7633000     201.7549      -137.2 
1 1 1 3  42 12 o 1.781000       0.9761000     150.1350      -30.0  
1 1 1 3  42 13 o 11.29000       1.733000      320.6989      99.1   
1 1 1 3  42 14 o 0.5077000      2.682000      62.55213      -59.0  
1 1 1 3  42 15 o 2.291000       2.921000      92.71320      45.4   
1 1 1 3  42 16 o 6.870000       1.502000      276.9200      72.9   
1 1 1 3  42 17 o 0.1955000      1.400000      148.5350      -92.2  
1 1 1 3  42 18 o 9.316000       1.480000      343.0296      -100.9 
1 1 1 3  42 19 o 7.482000       1.500000      241.5381      129.4  
1 1 1 3  42 20 o 0.7678000      1.437000      33.05355      -38.3  
1 1 1 3  42 21 o 3.755000       1.439000      107.1879      -20.3  
1 1 1 3  42 22 o 3.568000       1.451000      75.59090      140.6  
1 1 1 3  42 23 o 4.652000       1.463000      160.2546      -154.5 
1 1 1 3  42 24 o 3.785000       1.504000      86.97298      76.2   
1 1 1 3  42 25 o 2.744000       1.549000      96.61097      -153.0 
1 1 1 3  42 26 o 3.023000       1.614000      116.0034      37.7   
1 1 1 3  42 27 o 4.076000       1.712000      68.78666      28.8   
1 1 1 3  42 28 o 2.976000       1.735000      74.29357      -38.2  
1 1 1 3  42 29 o 9.003000       1.827000      213.3948      162.4  
1 1 1 3  42 30 o 1.135000       2.577000      113.3495      94.7   
1 1 1 3  42 31 o 3.495000       3.958000      190.9166      -10.4  
1 1 1 3  42 32 o -1.909000      2.415000      31.24691      152.4  
1 1 1 3  42 33 o 4.335000       2.026000      183.9543      91.2   
1 1 1 3  42 34 o 1.040000       0.8133000     155.6386      -84.7  
1 1 1 3  42 35 o 2.533000       0.8623000     142.3305      71.0   
1 1 1 3  42 36 o 1.096000       1.060000      111.4690      24.7   
1 1 1 3  42 37 o 1.980000       0.9061000     95.19925      -94.4  
1 1 1 3  42 38 o 3.386000       0.7749000     221.0312      116.8  
1 1 1 3  42 39 o 0.2055000      0.7872000     79.23473      -37.8  
1 1 1 3  42 40 o 2.773000       0.8331000     ?             ?      
1 1 1 3  42 41 o 0.2186000      0.8591000     ?             ?      
1 1 1 3  42 42 o 2.683000       1.123000      ?             ?      
1 1 1 3  42 43 o 0.5577000      1.112000      ?             ?      
1 1 1 3  42 44 o -0.1931000     1.106000      ?             ?      
1 1 1 3  42 45 o 0.1692000      1.219000      ?             ?      
1 1 1 3  42 46 o 0.8745000      1.073000      ?             ?      
1 1 1 3  42 47 o 1.754000       1.012000      ?             ?      
1 1 1 3  42 48 o 1.102000       0.9894000     ?             ?      
1 1 1 3  42 49 o 0.8821000      1.007000      ?             ?      
1 1 1 3  42 50 o 6.862000       1.077000      ?             ?      
1 1 1 3  42 51 o 0.6367000      1.030000      ?             ?      
1 1 1 3  42 52 o 1.869000       1.041000      ?             ?      
1 1 1 3  42 53 o 2.835000       1.077000      ?             ?      
1 1 1 3  42 54 o 0.4964000      1.078000      ?             ?      
1 1 1 3  42 55 o -0.7363000E-02 1.084000      ?             ?      
1 1 1 3  42 56 o -0.8724000     1.095000      ?             ?      
1 1 1 3  42 57 o -1.286000      1.621000      ?             ?      
1 1 1 3  42 58 o 0.8652000      1.484000      ?             ?      
1 1 1 3  42 59 o -1.034000      2.335000      ?             ?      
1 1 1 3  42 60 o -3.388000      2.203000      ?             ?      
1 1 1 3  43 0  o -0.9992000E-01 1.071000      55.79869      90.0   
1 1 1 3  43 1  o 3.321000       0.8264000     158.6644      -107.7 
1 1 1 3  43 2  o -0.6207000     0.9558000     157.8229      149.6  
1 1 1 3  43 3  o 0.8465000      0.9172000     72.99573      22.1   
1 1 1 3  43 4  o 1.434000       0.8231000     117.5773      -79.7  
1 1 1 3  43 5  o -0.5937000     0.7207000     116.8888      -5.6   
1 1 1 3  43 6  o -0.2201000     0.7877000     89.70554      174.3  
1 1 1 3  43 7  o 3.530000       0.7299000     172.6304      138.6  
1 1 1 3  43 8  o 5.933000       0.7006000     221.6308      131.4  
1 1 1 3  43 9  o 4.841000       0.6233000     165.6395      116.9  
1 1 1 3  43 10 o -0.2804000     0.5515000     73.95065      -79.8  
1 1 1 3  43 11 o -0.5620000     0.5969000     69.38684      -147.3 
1 1 1 3  43 12 o 1.964000       1.000000      178.4614      -116.4 
1 1 1 3  43 13 o 4.344000       1.433000      190.7543      7.0    
1 1 1 3  43 15 o 3.311000       1.849000      111.4824      -46.8  
1 1 1 3  43 16 o 1.238000       1.468000      121.5667      16.8   
1 1 1 3  43 17 o 23.22000       1.747000      298.9659      92.6   
1 1 1 3  43 18 o 1.492000       1.485000      123.8768      -55.1  
1 1 1 3  43 19 o 1.436000       1.476000      78.83972      -99.8  
1 1 1 3  43 20 o 2.978000       1.467000      106.6811      179.6  
1 1 1 3  43 21 o 2.211000       1.472000      78.91306      -160.4 
1 1 1 3  43 22 o -0.2887000     1.459000      57.92308      29.0   
1 1 1 3  43 23 o 4.022000       1.492000      118.4891      -6.7   
1 1 1 3  43 24 o 2.613000       1.513000      90.95087      -173.7 
1 1 1 3  43 25 o 3.109000       1.572000      82.60849      -73.3  
1 1 1 3  43 26 o -2.171000      1.619000      126.5979      -71.2  
1 1 1 3  43 27 o 1.489000       1.697000      97.23925      30.1   
1 1 1 3  43 28 o 4.753000       1.757000      201.1697      -60.7  
1 1 1 3  43 29 o 0.5751000      2.183000      66.79324      -90.4  
1 1 1 3  43 30 o 0.1106000      3.849000      98.99332      151.3  
1 1 1 3  43 31 o 1.985000       2.848000      52.10041      -90.2  
1 1 1 3  43 32 o 2.434000       1.987000      98.29495      160.8  
1 1 1 3  43 33 o 1.739000       2.044000      79.42136      33.1   
1 1 1 3  43 34 o 14.79000       2.219000      251.6197      -123.4 
1 1 1 3  43 35 o -2.848000      1.642000      110.5322      26.8   
1 1 1 3  43 36 o 0.8475000      0.8001000     40.08526      -169.5 
1 1 1 3  43 37 o 3.940000       1.047000      163.6082      -35.1  
1 1 1 3  43 38 o 3.859000       0.7047000     ?             ?      
1 1 1 3  43 39 o 1.280000       0.9357000     ?             ?      
1 1 1 3  43 40 o 0.1829000      0.7497000     ?             ?      
1 1 1 3  43 41 o -0.1688000     0.7812000     ?             ?      
1 1 1 3  43 42 o 1.576000       0.8208000     ?             ?      
1 1 1 3  43 43 o 0.5949000E-01  1.059000      ?             ?      
1 1 1 3  43 44 o 0.5431000      1.131000      ?             ?      
1 1 1 3  43 45 o 1.326000       1.311000      ?             ?      
1 1 1 3  43 46 o -0.9375000     1.372000      ?             ?      
1 1 1 3  43 47 o 1.225000       0.9475000     ?             ?      
1 1 1 3  43 48 o 1.066000       0.9700000     ?             ?      
1 1 1 3  43 49 o 2.017000       0.9909000     ?             ?      
1 1 1 3  43 50 o 0.3948000      0.9990000     ?             ?      
1 1 1 3  43 51 o 1.257000       1.009000      ?             ?      
1 1 1 3  43 52 o 0.1362000      1.023000      ?             ?      
1 1 1 3  43 53 o -0.1469000     1.038000      ?             ?      
1 1 1 3  43 54 o -0.5220000     1.055000      ?             ?      
1 1 1 3  43 55 o -0.1234000     1.068000      ?             ?      
1 1 1 3  43 56 o -1.153000      1.505000      ?             ?      
1 1 1 3  43 57 o 0.2161000      1.118000      ?             ?      
1 1 1 3  43 58 o 2.705000       1.401000      ?             ?      
1 1 1 3  43 59 o -3.423000      2.556000      ?             ?      
1 1 1 3  44 0  o 2.721000       1.073000      110.5502      90.0   
1 1 1 3  44 1  o 0.8255000      0.8245000     96.20140      -13.5  
1 1 1 3  44 2  o 7.115000       0.9276000     198.4753      -41.7  
1 1 1 3  44 3  o 11.87000       1.151000      244.6825      5.5    
1 1 1 3  44 4  o 6.546000       0.8702000     223.2212      -177.1 
1 1 1 3  44 5  o 6.402000       0.8746000     239.7162      -98.7  
1 1 1 3  44 6  o 13.53000       0.8209000     402.9600      -88.8  
1 1 1 3  44 7  o 8.078000       0.7475000     180.0932      -3.7   
1 1 1 3  44 8  o 6.175000       0.7157000     259.6066      156.4  
1 1 1 3  44 9  o 1.630000       0.6062000     65.41750      -89.0  
1 1 1 3  44 10 o 1.562000       0.5627000     23.41440      -122.7 
1 1 1 3  44 11 o -0.6790000E-01 0.5844000     84.04536      -62.1  
1 1 1 3  44 12 o 10.68000       1.558000      296.6850      -80.1  
1 1 1 3  44 13 o 0.1898000      2.768000      19.79728      -113.3 
1 1 1 3  44 14 o 5.170000       2.981000      156.2201      72.3   
1 1 1 3  44 15 o 6.861000       1.886000      145.1644      147.5  
1 1 1 3  44 16 o 5.233000       1.490000      349.4410      165.6  
1 1 1 3  44 17 o 5.642000       1.536000      256.2671      -163.7 
1 1 1 3  44 18 o 3.412000       1.531000      107.9555      -113.0 
1 1 1 3  44 19 o 13.82000       1.667000      335.0981      -128.2 
1 1 1 3  44 20 o 2.367000       1.537000      126.6171      13.8   
1 1 1 3  44 21 o -0.8145000     1.538000      14.46463      -0.0   
1 1 1 3  44 22 o 1.689000       1.561000      53.99841      -108.2 
1 1 1 3  44 23 o 0.8132000      1.541000      36.17485      111.3  
1 1 1 3  44 24 o 0.8575000      1.561000      187.8149      -19.2  
1 1 1 3  44 25 o 2.882000       1.628000      191.1859      117.5  
1 1 1 3  44 26 o 5.720000       1.755000      196.1741      63.8   
1 1 1 3  44 27 o 2.989000       1.802000      97.35695      112.1  
1 1 1 3  44 28 o 5.697000       1.872000      106.1556      -58.4  
1 1 1 3  44 29 o -5.193000      2.586000      77.28033      70.2   
1 1 1 3  44 30 o 4.774000       4.232000      216.3390      119.8  
1 1 1 3  44 31 o 3.272000       2.481000      99.03471      174.8  
1 1 1 3  44 32 o 4.300000       2.042000      229.0488      39.5   
1 1 1 3  44 33 o 0.6864000      2.081000      195.1329      -32.0  
1 1 1 3  44 34 o 2.266000       2.119000      121.0961      139.4  
1 1 1 3  44 35 o 8.795000       2.163000      154.5508      36.6   
1 1 1 3  44 36 o 5.518000       2.098000      232.1461      45.9   
1 1 1 3  44 37 o -0.2601000     0.7651000     ?             ?      
1 1 1 3  44 38 o -0.1630000     0.8133000     ?             ?      
1 1 1 3  44 39 o 5.462000       0.8843000     ?             ?      
1 1 1 3  44 40 o 1.555000       0.8994000     ?             ?      
1 1 1 3  44 41 o 1.079000       0.7068000     ?             ?      
1 1 1 3  44 42 o 0.8341000      0.7502000     ?             ?      
1 1 1 3  44 43 o -0.3030000     0.7799000     ?             ?      
1 1 1 3  44 44 o 1.354000       1.093000      ?             ?      
1 1 1 3  44 45 o -0.8518000     1.188000      ?             ?      
1 1 1 3  44 46 o -0.1472000     1.078000      ?             ?      
1 1 1 3  44 47 o -0.2580000     1.528000      ?             ?      
1 1 1 3  44 48 o 1.714000       0.9379000     ?             ?      
1 1 1 3  44 49 o 1.597000       0.9594000     ?             ?      
1 1 1 3  44 50 o 1.917000       0.9812000     ?             ?      
1 1 1 3  44 51 o -0.8893000E-02 0.9893000     ?             ?      
1 1 1 3  44 52 f 0.6414000      1.003000      ?             ?      
1 1 1 3  44 53 o 0.9578000      1.016000      ?             ?      
1 1 1 3  44 54 o -1.127000      1.039000      ?             ?      
1 1 1 3  44 55 o 1.313000       1.082000      ?             ?      
1 1 1 3  44 56 o 0.1005000      1.089000      ?             ?      
1 1 1 3  44 57 o -0.1574000     1.154000      ?             ?      
1 1 1 3  44 58 o -0.5297000E-01 1.221000      ?             ?      
1 1 1 3  45 0  o 1.141000       1.071000      44.69950      -90.0  
1 1 1 3  45 1  o 1.987000       0.7791000     152.6674      161.3  
1 1 1 3  45 2  o 8.345000       0.9525000     383.3443      -92.9  
1 1 1 3  45 3  o -1.649000      0.9914000     107.9585      -7.7   
1 1 1 3  45 4  o -0.6079000     0.8341000     91.33607      -37.7  
1 1 1 3  45 5  o 0.3074000      0.7346000     86.35934      -51.6  
1 1 1 3  45 6  o 1.280000       0.7361000     77.69279      155.0  
1 1 1 3  45 7  o 1.411000       0.7222000     154.1389      91.6   
1 1 1 3  45 8  o 0.9895000      0.6979000     175.2904      -169.8 
1 1 1 3  45 9  o 6.620000       0.6984000     225.7585      155.3  
1 1 1 3  45 10 o 1.370000       0.5873000     84.24599      6.6    
1 1 1 3  45 11 o 0.7733000      0.5583000     18.73962      -177.8 
1 1 1 3  45 12 o -2.067000      1.440000      3.324559      -118.0 
1 1 1 3  45 13 o 3.380000       3.036000      179.0730      9.8    
1 1 1 3  45 14 o 8.094000       1.929000      302.8435      -117.5 
1 1 1 3  45 15 o 3.515000       1.490000      244.5472      -21.7  
1 1 1 3  45 16 o 2.342000       1.513000      100.9995      -116.5 
1 1 1 3  45 17 o 27.64000       1.884000      525.7365      -15.6  
1 1 1 3  45 18 o 9.296000       1.645000      386.6321      -74.7  
1 1 1 3  45 19 o 10.53000       1.698000      310.5598      -121.9 
1 1 1 3  45 20 o 2.051000       1.631000      73.38960      -148.7 
1 1 1 3  45 21 o 0.8833000      1.647000      208.9291      -38.7  
1 1 1 3  45 22 o 0.9492000      1.648000      74.95399      161.0  
1 1 1 3  45 23 o 9.384000       1.702000      346.3711      15.0   
1 1 1 3  45 24 o 1.724000       1.664000      45.92910      6.1    
1 1 1 3  45 25 o 10.17000       1.821000      370.7544      105.7  
1 1 1 3  45 26 o 5.224000       1.877000      112.7587      -53.5  
1 1 1 3  45 27 o 1.056000       1.888000      169.8520      143.0  
1 1 1 3  45 28 o 1.006000       2.350000      49.52963      -45.5  
1 1 1 3  45 29 o 0.5842000      4.039000      77.87258      163.5  
1 1 1 3  45 30 o 1.544000       2.897000      132.1351      -110.0 
1 1 1 3  45 31 o 8.310000       2.084000      285.5070      114.0  
1 1 1 3  45 32 o 0.9900000      2.052000      122.9339      -23.4  
1 1 1 3  45 33 o 5.156000       2.089000      196.2382      -107.5 
1 1 1 3  45 34 o 3.678000       2.113000      100.2736      178.8  
1 1 1 3  45 35 o 4.105000       2.072000      ?             ?      
1 1 1 3  45 36 o 0.4319000      2.019000      ?             ?      
1 1 1 3  45 37 o 2.825000       2.007000      ?             ?      
1 1 1 3  45 38 o 9.360000       1.667000      ?             ?      
1 1 1 3  45 39 o 0.2753000      0.7742000     ?             ?      
1 1 1 3  45 40 o 2.108000       0.9843000     ?             ?      
1 1 1 3  45 41 o 0.9445000E-01  0.8190000     ?             ?      
1 1 1 3  45 42 o 1.483000       0.8872000     ?             ?      
1 1 1 3  45 43 o 0.1055000      0.7289000     ?             ?      
1 1 1 3  45 44 o -1.316000      0.7969000     ?             ?      
1 1 1 3  45 45 o 1.481000       1.095000      ?             ?      
1 1 1 3  45 46 o -0.2595000     1.039000      ?             ?      
1 1 1 3  45 47 o -0.3594000     1.515000      ?             ?      
1 1 1 3  45 48 o 0.2370000      1.194000      ?             ?      
1 1 1 3  45 49 o 0.9887000      0.9246000     ?             ?      
1 1 1 3  45 50 o 1.724000       0.9489000     ?             ?      
1 1 1 3  45 51 o 0.5204000      0.9832000     ?             ?      
1 1 1 3  45 52 o 1.853000       1.013000      ?             ?      
1 1 1 3  45 53 o -2.430000      1.047000      ?             ?      
1 1 1 3  45 54 o 1.763000       1.044000      ?             ?      
1 1 1 3  45 55 o -0.3601000     1.054000      ?             ?      
1 1 1 3  45 56 o 0.8880000      1.073000      ?             ?      
1 1 1 3  45 57 o 0.5032000      1.177000      ?             ?      
1 1 1 3  46 0  o -1.538000      1.096000      72.99332      90.0   
1 1 1 3  46 1  o 4.018000       0.7975000     275.7172      -9.7   
1 1 1 3  46 2  o -0.8281000     0.8663000     41.90851      -20.3  
1 1 1 3  46 3  o 1.422000       1.002000      160.0096      106.1  
1 1 1 3  46 4  o 0.2917000      0.9360000     183.5056      117.4  
1 1 1 3  46 5  o 3.207000       0.8467000     263.6705      -128.1 
1 1 1 3  46 6  o 4.613000       0.7810000     221.8459      -81.3  
1 1 1 3  46 7  o 3.497000       0.7601000     346.4631      -98.1  
1 1 1 3  46 8  o 0.4077000      0.7198000     77.67442      -104.8 
1 1 1 3  46 9  o 1.090000       0.6626000     187.2602      19.1   
1 1 1 3  46 10 o -0.5505000E-02 0.6022000     49.30013      85.0   
1 1 1 3  46 11 o 0.7635000      0.7175000     88.89288      -146.7 
1 1 1 3  46 12 o 1.527000       2.838000      163.7000      -91.3  
1 1 1 3  46 13 o 8.292000       3.184000      366.7608      152.1  
1 1 1 3  46 14 o 5.185000       1.889000      158.7960      45.5   
1 1 1 3  46 15 o 5.381000       1.571000      252.0227      -93.7  
1 1 1 3  46 16 o 12.89000       1.690000      466.1611      65.7   
1 1 1 3  46 17 o 5.103000       1.616000      325.4769      -25.8  
1 1 1 3  46 18 o 1.633000       1.627000      52.80578      12.6   
1 1 1 3  46 19 o 8.374000       1.713000      369.2653      77.6   
1 1 1 3  46 20 o 4.755000       1.695000      314.1933      20.3   
1 1 1 3  46 21 o 29.63000       2.929000      595.9893      -154.9 
1 1 1 3  46 22 o 0.5526000      1.740000      243.8494      61.3   
1 1 1 3  46 23 o 0.7012000      1.755000      166.2719      -55.4  
1 1 1 3  46 24 o -1.083000      1.793000      133.7952      164.5  
1 1 1 3  46 25 o 4.465000       1.887000      174.2813      161.9  
1 1 1 3  46 26 o 7.604000       1.938000      284.3576      -80.3  
1 1 1 3  46 27 o 7.204000       1.968000      252.6714      134.2  
1 1 1 3  46 28 o 1.261000       2.686000      101.8288      178.9  
1 1 1 3  46 29 o 5.440000       4.074000      140.3962      145.8  
1 1 1 3  46 30 o 6.148000       2.535000      262.8496      107.8  
1 1 1 3  46 31 o 1.883000       1.998000      195.0422      39.2   
1 1 1 3  46 32 o 1.268000       2.019000      72.55754      33.7   
1 1 1 3  46 33 o 5.383000       2.044000      ?             ?      
1 1 1 3  46 34 o 13.53000       2.136000      ?             ?      
1 1 1 3  46 35 o 1.824000       1.992000      ?             ?      
1 1 1 3  46 36 o 1.416000       1.975000      ?             ?      
1 1 1 3  46 37 o 5.859000       2.008000      ?             ?      
1 1 1 3  46 38 o 4.920000       2.024000      ?             ?      
1 1 1 3  46 39 o 1.058000       1.982000      ?             ?      
1 1 1 3  46 40 o 1.411000       0.7140000     ?             ?      
1 1 1 3  46 41 o 0.4595000      0.9357000     ?             ?      
1 1 1 3  46 42 o 2.927000       0.7793000     ?             ?      
1 1 1 3  46 43 o 0.6721000      0.8668000     ?             ?      
1 1 1 3  46 44 o 0.2220000      0.6971000     ?             ?      
1 1 1 3  46 45 o 1.105000       0.7245000     ?             ?      
1 1 1 3  46 46 o 0.9770000      0.8810000     ?             ?      
1 1 1 3  46 47 o -0.5029000     1.022000      ?             ?      
1 1 1 3  46 48 o 1.857000       1.557000      ?             ?      
1 1 1 3  46 49 o 1.677000       1.193000      ?             ?      
1 1 1 3  46 50 o -0.7633000E-01 1.076000      ?             ?      
1 1 1 3  46 51 o -0.5096000E-01 0.9456000     ?             ?      
1 1 1 3  46 52 o 0.2523000E-01  0.9967000     ?             ?      
1 1 1 3  46 53 o 1.678000       1.066000      ?             ?      
1 1 1 3  46 54 o -0.6933000     1.086000      ?             ?      
1 1 1 3  46 55 o 2.031000       1.092000      ?             ?      
1 1 1 3  46 56 o -0.2637000     1.097000      ?             ?      
1 1 1 3  47 0  o 18.39000       1.361000      477.5195      -90.0  
1 1 1 3  47 1  o 2.723000       0.8216000     205.2019      -112.6 
1 1 1 3  47 2  o -0.2754000     0.8873000     76.60726      179.9  
1 1 1 3  47 3  o 5.399000       0.9747000     206.7395      31.9   
1 1 1 3  47 4  o 8.541000       1.031000      363.7855      -22.5  
1 1 1 3  47 5  o 0.8734000      0.8588000     68.58701      159.6  
1 1 1 3  47 6  o -0.7762000E-01 0.7840000     128.7980      -45.8  
1 1 1 3  47 7  o 2.024000       0.7702000     240.9491      140.9  
1 1 1 3  47 8  o -0.4552000E-01 0.8199000     84.22113      -132.7 
1 1 1 3  47 9  o 20.01000       1.038000      556.9584      132.3  
1 1 1 3  47 10 o 12.06000       1.211000      454.4042      -85.6  
1 1 1 3  47 11 o 3.637000       0.7276000     258.7245      -119.5 
1 1 1 3  47 12 o 2.148000       1.683000      219.4482      -96.0  
1 1 1 3  47 13 o -1.018000      2.270000      212.7048      -35.4  
1 1 1 3  47 14 o 21.36000       1.793000      491.8310      -147.5 
1 1 1 3  47 15 o 1.860000       1.591000      105.1982      -14.1  
1 1 1 3  47 16 o 4.886000       1.655000      182.1023      -171.4 
1 1 1 3  47 17 o 5.640000       1.685000      140.3365      -149.7 
1 1 1 3  47 18 o 0.5631000      1.671000      127.1561      -176.8 
1 1 1 3  47 19 o 1.509000       1.703000      234.4244      -89.2  
1 1 1 3  47 20 o 3.229000       1.755000      200.4725      -106.5 
1 1 1 3  47 21 o 7.821000       1.832000      347.4542      -46.5  
1 1 1 3  47 22 o 3.728000       1.824000      288.1523      -52.9  
1 1 1 3  47 23 o -0.4682000     1.836000      125.2911      19.4   
1 1 1 3  47 24 o 3.303000       1.875000      196.6028      168.8  
1 1 1 3  47 25 o 2.603000       1.888000      129.7814      80.8   
1 1 1 3  47 26 o 3.280000       1.919000      150.1838      -26.9  
1 1 1 3  47 27 o 1.724000       2.379000      287.7443      40.1   
1 1 1 3  47 29 o 13.55000       3.040000      399.2776      -133.7 
1 1 1 3  47 30 o -1.187000      1.976000      124.2482      49.1   
1 1 1 3  47 31 o 1.271000       1.947000      ?             ?      
1 1 1 3  47 32 o 6.902000       2.012000      ?             ?      
1 1 1 3  47 33 o 1.374000       1.965000      ?             ?      
1 1 1 3  47 34 o -1.114000      1.972000      ?             ?      
1 1 1 3  47 35 o 0.6043000      1.936000      ?             ?      
1 1 1 3  47 36 o 1.666000       1.941000      ?             ?      
1 1 1 3  47 37 o 2.144000       1.965000      ?             ?      
1 1 1 3  47 38 o 5.407000       1.991000      ?             ?      
1 1 1 3  47 39 o -2.015000      1.949000      ?             ?      
1 1 1 3  47 40 o -2.141000      1.485000      ?             ?      
1 1 1 3  47 41 o 4.896000       2.049000      ?             ?      
1 1 1 3  47 42 o 1.387000       0.7859000     ?             ?      
1 1 1 3  47 43 o -1.656000      1.052000      ?             ?      
1 1 1 3  47 44 o 0.5264000      0.8166000     ?             ?      
1 1 1 3  47 45 o 1.528000       0.8382000     ?             ?      
1 1 1 3  47 46 o 1.707000       0.6866000     ?             ?      
1 1 1 3  47 47 o 1.129000       0.7365000     ?             ?      
1 1 1 3  47 48 o -1.270000      1.024000      ?             ?      
1 1 1 3  47 49 o 1.223000       0.9513000     ?             ?      
1 1 1 3  47 50 o 2.005000       1.214000      ?             ?      
1 1 1 3  47 51 o -1.961000      1.098000      ?             ?      
1 1 1 3  47 52 o 1.412000       0.9932000     ?             ?      
1 1 1 3  47 53 o -1.067000      1.009000      ?             ?      
1 1 1 3  47 54 o 0.6391000      1.057000      ?             ?      
1 1 1 3  47 55 o 0.6999000      1.104000      ?             ?      
1 1 1 3  48 0  o 31.75000       1.660000      845.4618      90.0   
1 1 1 3  48 1  o 1.117000       0.8555000     29.08278      140.8  
1 1 1 3  48 2  o 6.122000       0.9513000     308.4063      133.0  
1 1 1 3  48 3  o 4.596000       1.009000      198.4413      -73.0  
1 1 1 3  48 4  o 10.60000       1.211000      507.3915      82.8   
1 1 1 3  48 5  o 1.625000       0.9444000     149.9673      -170.4 
1 1 1 3  48 6  o 18.89000       1.355000      411.6682      -90.2  
1 1 1 3  48 7  o 4.741000       0.8960000     293.0097      -77.8  
1 1 1 3  48 8  o 7.534000       0.9406000     459.0885      91.2   
1 1 1 3  48 9  o 0.3345000      0.7884000     185.1530      53.1   
1 1 1 3  48 10 o 3.012000       0.7274000     244.3732      -74.3  
1 1 1 3  48 11 o 0.9052000      0.7012000     122.1974      -101.2 
1 1 1 3  48 12 o 5.862000       1.779000      278.3428      66.7   
1 1 1 3  48 13 o 2.461000       1.929000      183.6265      140.9  
1 1 1 3  48 14 o 4.795000       1.637000      332.8678      3.5    
1 1 1 3  48 15 o 8.064000       1.699000      459.8528      -86.2  
1 1 1 3  48 16 o 7.437000       1.736000      340.8393      88.8   
1 1 1 3  48 17 o 3.380000       1.721000      101.2086      129.1  
1 1 1 3  48 18 o 9.847000       1.814000      450.3858      19.2   
1 1 1 3  48 19 o 5.762000       1.805000      382.0811      -21.9  
1 1 1 3  48 20 o 10.16000       1.892000      236.8786      122.7  
1 1 1 3  48 21 o -1.370000      1.829000      67.04318      -93.7  
1 1 1 3  48 22 o 11.63000       1.952000      528.7627      46.3   
1 1 1 3  48 23 o 9.894000       1.963000      375.6490      -89.4  
1 1 1 3  48 24 o 3.491000       1.921000      131.8270      -23.6  
1 1 1 3  48 25 o 2.444000       2.764000      191.7842      31.9   
1 1 1 3  48 26 o 4.335000       1.963000      300.8313      85.1   
1 1 1 3  48 27 o -0.2960000     2.745000      83.33401      106.7  
1 1 1 3  48 28 o 11.58000       4.100000      295.3704      33.2   
1 1 1 3  48 29 o 1.037000       1.982000      ?             ?      
1 1 1 3  48 30 o 7.626000       1.999000      ?             ?      
1 1 1 3  48 31 o -0.5327000     1.921000      ?             ?      
1 1 1 3  48 32 o 3.930000       1.984000      ?             ?      
1 1 1 3  48 33 o 0.4864000      1.948000      ?             ?      
1 1 1 3  48 34 o 5.091000       1.981000      ?             ?      
1 1 1 3  48 35 o 1.467000       1.935000      ?             ?      
1 1 1 3  48 36 o -0.4297000     1.911000      ?             ?      
1 1 1 3  48 37 o 0.7120000      1.952000      ?             ?      
1 1 1 3  48 38 o -1.050000      1.966000      ?             ?      
1 1 1 3  48 39 o -0.6465000     1.979000      ?             ?      
1 1 1 3  48 40 o -0.5647000     1.991000      ?             ?      
1 1 1 3  48 41 o 0.1499000      2.017000      ?             ?      
1 1 1 3  48 42 o 5.093000       2.841000      ?             ?      
1 1 1 3  48 43 o 0.6576000      2.251000      ?             ?      
1 1 1 3  48 44 o 2.405000       0.9453000     ?             ?      
1 1 1 3  48 45 o -0.3306000     0.7521000     ?             ?      
1 1 1 3  48 46 o 4.227000       0.8443000     ?             ?      
1 1 1 3  48 47 o 1.359000       0.6643000     ?             ?      
1 1 1 3  48 48 o -0.5694000     0.7071000     ?             ?      
1 1 1 3  48 49 o 0.6017000      1.056000      ?             ?      
1 1 1 3  48 50 o 0.3799000E-01  1.092000      ?             ?      
1 1 1 3  48 51 o 0.3993000      1.087000      ?             ?      
1 1 1 3  48 52 o -1.338000      1.691000      ?             ?      
1 1 1 3  48 53 o 0.8005000      0.9847000     ?             ?      
1 1 1 3  48 54 o -0.1320000     2.250000      ?             ?      
1 1 1 3  49 0  o -1.576000      1.253000      24.74333      -90.0  
1 1 1 3  49 1  o 2.839000       0.8731000     205.0890      169.7  
1 1 1 3  49 2  o 3.904000       0.9387000     242.7559      11.7   
1 1 1 3  49 3  o 0.3933000E-01  1.155000      123.5111      -70.7  
1 1 1 3  49 4  o 2.690000       1.159000      249.6753      101.7  
1 1 1 3  49 5  o 1.848000       1.212000      148.7139      137.9  
1 1 1 3  49 6  o 0.6810000      0.9500000     78.47940      49.1   
1 1 1 3  49 7  o 1.783000       0.9516000     229.0829      -54.7  
1 1 1 3  49 8  o 4.622000       0.9392000     267.7701      -31.0  
1 1 1 3  49 9  o 2.509000       0.7038000     244.2526      -160.0 
1 1 1 3  49 10 o 6.449000       0.6531000     369.9152      -173.9 
1 1 1 3  49 11 o 2.394000       0.5960000     289.3281      148.8  
1 1 1 3  49 12 o 5.301000       1.853000      357.9784      -113.5 
1 1 1 3  49 13 o 1.706000       1.644000      84.95694      165.9  
1 1 1 3  49 14 o 8.055000       1.702000      363.0435      -90.7  
1 1 1 3  49 15 o -0.2940000     1.693000      144.4743      134.7  
1 1 1 3  49 16 o 11.63000       1.816000      467.2743      135.2  
1 1 1 3  49 17 o 5.580000       1.800000      234.0851      66.1   
1 1 1 3  49 18 o 2.904000       1.772000      99.39875      0.6    
1 1 1 3  49 19 o 17.90000       1.962000      436.8118      -126.2 
1 1 1 3  49 20 o -0.3931000     1.798000      94.49889      -159.0 
1 1 1 3  49 21 o 3.902000       1.854000      160.7702      -87.7  
1 1 1 3  49 22 o 2.434000       1.874000      211.1034      38.8   
1 1 1 3  49 23 o 18.51000       2.052000      525.2385      142.7  
1 1 1 3  49 24 o -1.238000      1.901000      131.1774      -58.7  
1 1 1 3  49 25 o 6.019000       1.948000      315.9861      16.6   
1 1 1 3  49 26 o 16.91000       2.872000      517.1512      70.7   
1 1 1 3  49 28 o 1.235000       2.855000      ?             ?      
1 1 1 3  49 29 o -0.3624000     1.905000      ?             ?      
1 1 1 3  49 30 o 2.721000       1.918000      ?             ?      
1 1 1 3  49 31 o 2.213000       1.942000      ?             ?      
1 1 1 3  49 32 o 8.191000       1.990000      ?             ?      
1 1 1 3  49 33 o 17.67000       2.136000      ?             ?      
1 1 1 3  49 34 o 6.653000       1.976000      ?             ?      
1 1 1 3  49 35 o 2.899000       1.913000      ?             ?      
1 1 1 3  49 36 o -1.611000      1.876000      ?             ?      
1 1 1 3  49 37 o 4.076000       1.955000      ?             ?      
1 1 1 3  49 38 o 3.428000       1.977000      ?             ?      
1 1 1 3  49 39 o 2.829000       2.000000      ?             ?      
1 1 1 3  49 40 o 3.078000       1.997000      ?             ?      
1 1 1 3  49 41 o 2.688000       2.648000      ?             ?      
1 1 1 3  49 43 o 1.442000       3.021000      ?             ?      
1 1 1 3  49 44 o 1.485000       2.030000      ?             ?      
1 1 1 3  49 45 o 0.6461000      1.560000      ?             ?      
1 1 1 3  49 46 o 0.5713000      0.9377000     ?             ?      
1 1 1 3  49 47 o 0.2256000      0.6452000     ?             ?      
1 1 1 3  49 48 o 0.6467000      0.8831000     ?             ?      
1 1 1 3  49 49 o -0.9712000E-01 0.6959000     ?             ?      
1 1 1 3  49 50 o 1.581000       0.9938000     ?             ?      
1 1 1 3  49 51 o -0.2490000     1.098000      ?             ?      
1 1 1 3  49 52 o -1.975000      1.079000      ?             ?      
1 1 1 3  50 0  o 9.553000       1.857000      451.0151      90.0   
1 1 1 3  50 1  o -0.7234000E-01 1.092000      282.7427      -25.6  
1 1 1 3  50 2  o 0.9800000      0.9898000     94.62436      -38.3  
1 1 1 3  50 3  o 4.254000       1.082000      262.0331      171.4  
1 1 1 3  50 4  o 4.334000       1.182000      311.2080      145.5  
1 1 1 3  50 5  o 3.136000       1.060000      311.1000      -131.1 
1 1 1 3  50 6  o 1.622000       0.8494000     289.7593      -23.3  
1 1 1 3  50 7  o 8.503000       0.9250000     423.1614      59.6   
1 1 1 3  50 8  o 1.787000       0.7697000     263.8807      161.6  
1 1 1 3  50 9  o 2.364000       0.6913000     263.7015      -89.7  
1 1 1 3  50 10 o -0.6854000     0.5905000     254.4737      -91.8  
1 1 1 3  50 11 o 1.265000       0.6823000     167.4753      -104.9 
1 1 1 3  50 12 o 6.749000       1.868000      261.0092      99.3   
1 1 1 3  50 13 o -3.235000      2.381000      161.1303      -179.1 
1 1 1 3  50 14 o 3.153000       1.712000      295.9580      -155.2 
1 1 1 3  50 15 o 11.34000       1.811000      347.7691      -161.6 
1 1 1 3  50 16 o 13.89000       1.867000      587.8543      114.8  
1 1 1 3  50 17 o 1.202000       1.783000      164.2930      29.0   
1 1 1 3  50 18 o 26.15000       2.096000      772.5166      -96.1  
1 1 1 3  50 19 o -0.3266000     1.783000      81.92258      -4.5   
1 1 1 3  50 20 o 9.256000       1.880000      543.4012      119.5  
1 1 1 3  50 21 o 2.900000       1.857000      380.1717      -111.1 
1 1 1 3  50 22 o 13.17000       1.975000      520.9371      22.6   
1 1 1 3  50 23 o 2.843000       1.873000      237.2873      -78.7  
1 1 1 3  50 24 o 3.193000       1.894000      ?             ?      
1 1 1 3  50 25 o 1.773000       1.928000      ?             ?      
1 1 1 3  50 26 o 1.181000       2.777000      ?             ?      
1 1 1 3  50 27 o -1.955000      4.077000      ?             ?      
1 1 1 3  50 28 o 1.290000       1.938000      ?             ?      
1 1 1 3  50 29 o 7.506000       1.979000      ?             ?      
1 1 1 3  50 30 o 13.93000       2.050000      ?             ?      
1 1 1 3  50 31 o -0.7567000     1.909000      ?             ?      
1 1 1 3  50 32 o 1.643000       1.903000      ?             ?      
1 1 1 3  50 33 o 3.938000       1.944000      ?             ?      
1 1 1 3  50 34 o 7.191000       1.948000      ?             ?      
1 1 1 3  50 35 o -1.577000      1.884000      ?             ?      
1 1 1 3  50 36 o 4.462000       1.919000      ?             ?      
1 1 1 3  50 37 o 3.013000       2.790000      ?             ?      
1 1 1 3  50 38 o -0.9558000     1.890000      ?             ?      
1 1 1 3  50 39 o 0.9137000      1.968000      ?             ?      
1 1 1 3  50 40 o -1.420000      2.318000      ?             ?      
1 1 1 3  50 41 o -2.987000      2.669000      ?             ?      
1 1 1 3  50 42 o -1.786000      3.070000      ?             ?      
1 1 1 3  50 43 o 3.117000       2.039000      ?             ?      
1 1 1 3  50 44 o 2.366000       2.027000      ?             ?      
1 1 1 3  50 45 o 1.322000       1.562000      ?             ?      
1 1 1 3  50 46 o 0.7760000      1.581000      ?             ?      
1 1 1 3  50 47 o 3.550000       2.108000      ?             ?      
1 1 1 3  50 48 o 0.2418000      1.006000      ?             ?      
1 1 1 3  50 49 o 0.3756000      0.8604000     ?             ?      
1 1 1 3  50 50 o 0.7708000      0.9267000     ?             ?      
1 1 1 3  50 51 o 0.8937000      0.7310000     ?             ?      
1 1 1 3  51 0  o 2.645000       1.930000      229.3353      90.0   
1 1 1 3  51 1  o 3.558000       1.191000      338.0371      -105.8 
1 1 1 3  51 2  o 2.565000       1.018000      83.96684      20.8   
1 1 1 3  51 3  o 8.023000       1.218000      371.8766      -137.8 
1 1 1 3  51 4  o 1.866000       1.020000      124.4013      14.1   
1 1 1 3  51 5  o 8.540000       1.209000      576.3371      -4.4   
1 1 1 3  51 6  o 12.48000       1.029000      470.3389      -96.8  
1 1 1 3  51 7  o 6.202000       0.8897000     403.7704      -111.3 
1 1 1 3  51 8  o 9.083000       0.8154000     455.8730      177.3  
1 1 1 3  51 9  o 0.2280000      0.6986000     62.97431      -103.7 
1 1 1 3  51 10 o 1.598000       0.6106000     265.5460      25.1   
1 1 1 3  51 11 o 3.145000       0.6991000     447.2422      -111.6 
1 1 1 3  51 12 o 7.712000       1.435000      420.9788      168.0  
1 1 1 3  51 13 o 4.499000       1.309000      359.4778      -66.1  
1 1 1 3  51 14 o 1.357000       1.701000      271.5424      -78.9  
1 1 1 3  51 15 o 2.671000       1.732000      299.2520      -178.7 
1 1 1 3  51 16 o -1.313000      1.741000      129.8690      74.4   
1 1 1 3  51 17 o 41.23000       2.356000      ?             ?      
1 1 1 3  51 18 o 8.481000       1.879000      509.4368      -172.6 
1 1 1 3  51 19 o 5.123000       1.844000      328.3332      -67.0  
1 1 1 3  51 20 o 18.83000       2.021000      693.6880      6.7    
1 1 1 3  51 21 o 3.495000       1.868000      ?             ?      
1 1 1 3  51 22 o -1.795000      1.849000      ?             ?      
1 1 1 3  51 23 o 4.788000       1.875000      ?             ?      
1 1 1 3  51 24 o 6.056000       1.905000      ?             ?      
1 1 1 3  51 25 o 1.190000       2.292000      ?             ?      
1 1 1 3  51 27 o 2.987000       2.469000      ?             ?      
1 1 1 3  51 28 o 17.02000       2.076000      ?             ?      
1 1 1 3  51 29 o 7.949000       1.959000      ?             ?      
1 1 1 3  51 30 o -0.5323000     1.911000      ?             ?      
1 1 1 3  51 31 o 7.714000       1.948000      ?             ?      
1 1 1 3  51 32 f 5.592000       1.922000      ?             ?      
1 1 1 3  51 33 o 5.125000       1.955000      ?             ?      
1 1 1 3  51 34 o 14.33000       2.069000      ?             ?      
1 1 1 3  51 35 o 1.224000       1.901000      ?             ?      
1 1 1 3  51 36 o 2.333000       1.930000      ?             ?      
1 1 1 3  51 37 o -0.2263000     1.909000      ?             ?      
1 1 1 3  51 38 o 1.121000       1.935000      ?             ?      
1 1 1 3  51 39 o -0.4354000     1.958000      ?             ?      
1 1 1 3  51 40 o 7.460000       2.705000      ?             ?      
1 1 1 3  51 42 o 2.600000       2.567000      ?             ?      
1 1 1 3  51 43 o 0.4558000      1.969000      ?             ?      
1 1 1 3  51 44 o 1.405000       2.377000      ?             ?      
1 1 1 3  51 45 o -0.6098000     2.353000      ?             ?      
1 1 1 3  51 46 o -0.1050000     2.681000      ?             ?      
1 1 1 3  51 47 o 5.030000       2.764000      ?             ?      
1 1 1 3  51 48 o 0.7632000E-01  2.004000      ?             ?      
1 1 1 3  51 49 o 0.1083000      2.042000      ?             ?      
1 1 1 3  51 50 o 1.642000       0.8508000     ?             ?      
1 1 1 3  52 0  o 11.26000       1.450000      403.0213      -90.0  
1 1 1 3  52 1  o 5.251000       0.9841000     241.7654      7.1    
1 1 1 3  52 2  o 0.6254000      1.018000      136.7370      112.8  
1 1 1 3  52 3  o 19.65000       1.438000      629.1835      124.2  
1 1 1 3  52 4  o 3.667000       1.209000      257.7432      -134.9 
1 1 1 3  52 5  o 2.877000       1.243000      300.7722      42.6   
1 1 1 3  52 6  o 9.246000       1.070000      430.0699      -5.5   
1 1 1 3  52 7  o 6.122000       0.9607000     293.8287      32.7   
1 1 1 3  52 8  o 2.779000       0.7978000     355.7818      -134.8 
1 1 1 3  52 9  o 4.354000       0.7353000     303.2304      -137.4 
1 1 1 3  52 10 o 10.20000       0.7635000     611.4485      -100.2 
1 1 1 3  52 11 o 3.543000       0.6907000     141.6781      -89.5  
1 1 1 3  52 12 o -1.027000      1.405000      65.28846      -175.3 
1 1 1 3  52 13 o 10.47000       1.393000      543.8290      142.4  
1 1 1 3  52 14 o 3.693000       1.731000      241.8159      -35.8  
1 1 1 3  52 15 o -0.8029000     1.714000      126.1029      113.1  
1 1 1 3  52 16 o 15.60000       1.886000      459.5341      106.9  
1 1 1 3  52 17 o 13.12000       1.879000      ?             ?      
1 1 1 3  52 18 o 8.697000       1.838000      ?             ?      
1 1 1 3  52 19 o 14.15000       1.938000      ?             ?      
1 1 1 3  52 20 o 3.403000       1.840000      ?             ?      
1 1 1 3  52 21 o 0.6140000      1.814000      ?             ?      
1 1 1 3  52 22 o 2.628000       1.829000      ?             ?      
1 1 1 3  52 23 o 4.599000       1.844000      ?             ?      
1 1 1 3  52 24 o -0.2860000     2.161000      ?             ?      
1 1 1 3  52 25 o 5.033000       3.608000      ?             ?      
1 1 1 3  52 26 o 4.261000       4.083000      ?             ?      
1 1 1 3  52 27 o 5.415000       2.647000      ?             ?      
1 1 1 3  52 28 o -1.073000      1.873000      ?             ?      
1 1 1 3  52 29 o -1.310000      1.842000      ?             ?      
1 1 1 3  52 30 o 0.5571000      1.850000      ?             ?      
1 1 1 3  52 31 o -0.8922000     1.872000      ?             ?      
1 1 1 3  52 32 o 16.69000       2.107000      ?             ?      
1 1 1 3  52 33 o 19.76000       2.168000      ?             ?      
1 1 1 3  52 34 o -2.423000      1.892000      ?             ?      
1 1 1 3  52 35 o 2.566000       1.889000      ?             ?      
1 1 1 3  52 36 o 2.546000       1.908000      ?             ?      
1 1 1 3  52 37 o 0.8630000E-01  1.949000      ?             ?      
1 1 1 3  52 38 o 4.353000       1.966000      ?             ?      
1 1 1 3  52 39 o -0.9441000     2.293000      ?             ?      
1 1 1 3  52 40 o -6.021000      3.852000      ?             ?      
1 1 1 3  52 41 o -2.050000      2.930000      ?             ?      
1 1 1 3  52 42 o 0.4793000      1.985000      ?             ?      
1 1 1 3  52 43 o 0.2873000      2.383000      ?             ?      
1 1 1 3  52 44 o 1.754000       2.379000      ?             ?      
1 1 1 3  52 45 o -0.5836000     2.424000      ?             ?      
1 1 1 3  52 46 o 0.6724000      3.986000      ?             ?      
1 1 1 3  52 47 o -3.569000      2.648000      ?             ?      
1 1 1 3  52 48 o 4.710000       2.745000      ?             ?      
1 1 1 3  53 0  o 0.6641000E-01  1.358000      181.0731      -90.0  
1 1 1 3  53 1  o 9.247000       1.014000      522.5186      141.1  
1 1 1 3  53 2  o 12.56000       1.028000      632.2819      -146.4 
1 1 1 3  53 3  o 3.162000       0.9633000     185.6651      -123.6 
1 1 1 3  53 4  o 0.9703000      1.093000      158.3004      -77.1  
1 1 1 3  53 5  o 1.570000       1.218000      193.8766      149.1  
1 1 1 3  53 6  o 8.423000       1.144000      460.4534      -175.6 
1 1 1 3  53 7  o -0.1279000     0.9257000     60.94736      129.5  
1 1 1 3  53 8  o 11.82000       0.9143000     653.5286      -134.5 
1 1 1 3  53 9  o 19.44000       1.025000      750.7807      -40.4  
1 1 1 3  53 10 o 2.538000       0.6241000     312.3968      -22.5  
1 1 1 3  53 11 o 1.984000       1.920000      273.1086      174.0  
1 1 1 3  53 12 o 1.524000       1.314000      234.8322      -175.5 
1 1 1 3  53 13 o 8.204000       1.373000      ?             ?      
1 1 1 3  53 14 o 7.633000       1.792000      ?             ?      
1 1 1 3  53 15 o 2.127000       1.751000      ?             ?      
1 1 1 3  53 16 o 3.922000       1.760000      ?             ?      
1 1 1 3  53 17 o 2.544000       1.743000      ?             ?      
1 1 1 3  53 18 o 9.746000       1.836000      ?             ?      
1 1 1 3  53 19 o 1.360000       1.788000      ?             ?      
1 1 1 3  53 20 o 4.785000       1.795000      ?             ?      
1 1 1 3  53 21 o -0.1597000     1.779000      ?             ?      
1 1 1 3  53 22 o 0.3907000      2.207000      ?             ?      
1 1 1 3  53 23 o -2.784000      1.752000      ?             ?      
1 1 1 3  53 24 o -2.208000      2.118000      ?             ?      
1 1 1 3  53 26 o 1.940000       2.423000      ?             ?      
1 1 1 3  53 27 f 0.5359000E-01  1.809000      ?             ?      
1 1 1 3  53 28 o -2.597000      1.822000      ?             ?      
1 1 1 3  53 29 o 4.325000       1.844000      ?             ?      
1 1 1 3  53 30 o 0.8492000      1.868000      ?             ?      
1 1 1 3  53 31 o 7.434000       1.974000      ?             ?      
1 1 1 3  53 32 o -2.117000      1.899000      ?             ?      
1 1 1 3  53 33 o 4.380000       1.912000      ?             ?      
1 1 1 3  53 34 o -0.3991000     1.870000      ?             ?      
1 1 1 3  53 35 o 4.104000       1.940000      ?             ?      
1 1 1 3  53 36 o 2.564000       1.949000      ?             ?      
1 1 1 3  53 37 o 3.780000       1.950000      ?             ?      
1 1 1 3  53 38 o 1.562000       1.936000      ?             ?      
1 1 1 3  53 39 o 1.921000       2.606000      ?             ?      
1 1 1 3  53 42 o -2.163000      2.331000      ?             ?      
1 1 1 3  53 43 o 1.564000       2.362000      ?             ?      
1 1 1 3  53 44 o 1.553000       2.422000      ?             ?      
1 1 1 3  53 45 o 2.729000       2.391000      ?             ?      
1 1 1 3  53 46 o -0.6976000E-01 2.396000      ?             ?      
1 1 1 3  53 47 o -2.423000      2.789000      ?             ?      
1 1 1 3  54 0  o 4.988000       1.373000      433.1422      -90.0  
1 1 1 3  54 1  o -0.9375000     0.9472000     59.12035      115.1  
1 1 1 3  54 2  o 9.856000       0.9914000     395.4894      -171.9 
1 1 1 3  54 3  o 0.7235000      0.9139000     ?             ?      
1 1 1 3  54 4  f 7.513000       1.119000      ?             ?      
1 1 1 3  54 5  f -1.975000      1.298000      ?             ?      
1 1 1 3  54 6  o 1.625000       1.068000      ?             ?      
1 1 1 3  54 7  f 7.587000       0.9737000     ?             ?      
1 1 1 3  54 8  o -0.8545000     0.7621000     ?             ?      
1 1 1 3  54 9  o 1.593000       0.7179000     ?             ?      
1 1 1 3  54 10 o 2.168000       0.5890000     ?             ?      
1 1 1 3  54 11 o -1.469000      1.833000      ?             ?      
1 1 1 3  54 12 o -1.147000      1.673000      ?             ?      
1 1 1 3  54 13 o -0.6983000     1.660000      ?             ?      
1 1 1 3  54 14 o -3.927000      2.275000      ?             ?      
1 1 1 3  54 15 o 1.728000       2.053000      ?             ?      
1 1 1 3  54 16 o 0.4249000E-01  1.724000      ?             ?      
1 1 1 3  54 17 o 5.433000       1.749000      ?             ?      
1 1 1 3  54 18 o 7.406000       1.780000      ?             ?      
1 1 1 3  54 19 o 0.8993000      1.729000      ?             ?      
1 1 1 3  54 20 o 2.717000       1.787000      ?             ?      
1 1 1 3  54 21 o 1.280000       1.759000      ?             ?      
1 1 1 3  54 22 o 2.164000       1.759000      ?             ?      
1 1 1 3  54 23 o 5.856000       2.158000      ?             ?      
1 1 1 3  54 24 o 1.385000       3.386000      ?             ?      
1 1 1 3  54 25 o 3.798000       4.002000      ?             ?      
1 1 1 3  54 26 o 0.4448000      1.815000      ?             ?      
1 1 1 3  54 27 o 2.017000       1.799000      ?             ?      
1 1 1 3  54 28 o -2.123000      1.792000      ?             ?      
1 1 1 3  54 29 o 0.7070000      1.811000      ?             ?      
1 1 1 3  54 30 o 1.953000       1.840000      ?             ?      
1 1 1 3  54 31 o 4.307000       1.876000      ?             ?      
1 1 1 3  54 32 o -0.8550000     1.847000      ?             ?      
1 1 1 3  54 33 o 0.3005000      1.843000      ?             ?      
1 1 1 3  54 34 o 11.45000       2.013000      ?             ?      
1 1 1 3  54 35 o 2.353000       1.964000      ?             ?      
1 1 1 3  54 36 o 1.044000       1.921000      ?             ?      
1 1 1 3  54 37 o -0.7621000     1.896000      ?             ?      
1 1 1 3  54 38 o 0.2470000E-01  2.290000      ?             ?      
1 1 1 3  54 39 o 0.3610000      3.880000      ?             ?      
1 1 1 3  54 41 o -0.6623000     2.335000      ?             ?      
1 1 1 3  54 42 o 0.6263000E-01  2.405000      ?             ?      
1 1 1 3  54 43 o -4.190000      2.371000      ?             ?      
1 1 1 3  54 44 o 1.230000       2.457000      ?             ?      
1 1 1 3  54 45 o 4.673000       2.504000      ?             ?      
1 1 1 3  55 0  o 3.147000       1.315000      ?             ?      
1 1 1 3  55 1  o 2.956000       0.9137000     ?             ?      
1 1 1 3  55 2  o 2.864000       0.9153000     ?             ?      
1 1 1 3  55 3  o 4.146000       0.9217000     ?             ?      
1 1 1 3  55 4  o 20.72000       1.279000      ?             ?      
1 1 1 3  55 5  o 1.532000       1.236000      ?             ?      
1 1 1 3  55 6  o 0.9505000      1.015000      ?             ?      
1 1 1 3  55 7  o 2.290000       0.8266000     ?             ?      
1 1 1 3  55 8  o 8.423000       0.7971000     ?             ?      
1 1 1 3  55 9  o 4.902000       0.8193000     ?             ?      
1 1 1 3  55 10 o 2.084000       0.6387000     ?             ?      
1 1 1 3  55 11 o 3.157000       1.307000      ?             ?      
1 1 1 3  55 12 o -0.6671000     2.028000      ?             ?      
1 1 1 3  55 13 o 3.514000       2.452000      ?             ?      
1 1 1 3  55 14 o -0.2064000     2.148000      ?             ?      
1 1 1 3  55 15 o -2.570000      2.173000      ?             ?      
1 1 1 3  55 16 o 1.187000       2.029000      ?             ?      
1 1 1 3  55 17 o 0.1312000      2.276000      ?             ?      
1 1 1 3  55 18 o -4.880000      2.256000      ?             ?      
1 1 1 3  55 19 o -0.6635000     2.033000      ?             ?      
1 1 1 3  55 20 o 0.3983000      1.748000      ?             ?      
1 1 1 3  55 21 o -2.499000      1.736000      ?             ?      
1 1 1 3  55 22 o 0.8211000      1.761000      ?             ?      
1 1 1 3  55 23 o 1.034000       2.094000      ?             ?      
1 1 1 3  55 25 o 5.611000       2.392000      ?             ?      
1 1 1 3  55 26 o 3.366000       1.813000      ?             ?      
1 1 1 3  55 27 o -1.710000      1.783000      ?             ?      
1 1 1 3  55 28 o -1.866000      1.779000      ?             ?      
1 1 1 3  55 29 o -0.2315000     1.796000      ?             ?      
1 1 1 3  55 30 o 1.977000       1.854000      ?             ?      
1 1 1 3  55 31 o 1.343000       1.847000      ?             ?      
1 1 1 3  55 32 o 4.133000       1.874000      ?             ?      
1 1 1 3  55 33 o -1.271000      1.843000      ?             ?      
1 1 1 3  55 34 o 1.504000       1.904000      ?             ?      
1 1 1 3  55 35 o 3.560000       1.950000      ?             ?      
1 1 1 3  55 36 o 2.372000       1.912000      ?             ?      
1 1 1 3  55 37 o 2.421000       2.326000      ?             ?      
1 1 1 3  55 38 o 2.803000       2.623000      ?             ?      
1 1 1 3  55 40 o 0.9245000      2.768000      ?             ?      
1 1 1 3  55 41 o 4.223000       2.407000      ?             ?      
1 1 1 3  55 42 o 1.360000       2.441000      ?             ?      
1 1 1 3  55 43 o -0.1208000     2.459000      ?             ?      
1 1 1 3  55 44 o 1.566000       2.842000      ?             ?      
1 1 1 3  56 0  o 0.2649000      1.249000      ?             ?      
1 1 1 3  56 1  o 1.621000       0.8858000     ?             ?      
1 1 1 3  56 2  o 2.516000       0.9036000     ?             ?      
1 1 1 3  56 3  o 3.624000       0.9040000     ?             ?      
1 1 1 3  56 4  o 4.080000       1.090000      ?             ?      
1 1 1 3  56 5  o -1.930000      0.9357000     ?             ?      
1 1 1 3  56 6  o -0.1792000     0.9918000     ?             ?      
1 1 1 3  56 7  f 0.9196000      0.8182000     ?             ?      
1 1 1 3  56 8  o 1.698000       0.7934000     ?             ?      
1 1 1 3  56 9  o -0.3285000     0.7583000     ?             ?      
1 1 1 3  56 10 o -0.3696000E-02 0.6069000     ?             ?      
1 1 1 3  56 11 o 1.751000       1.290000      ?             ?      
1 1 1 3  56 12 o -0.3751000     1.566000      ?             ?      
1 1 1 3  56 13 o 1.187000       1.594000      ?             ?      
1 1 1 3  56 14 o 2.647000       1.648000      ?             ?      
1 1 1 3  56 15 o 2.150000       1.684000      ?             ?      
1 1 1 3  56 16 o 3.080000       2.126000      ?             ?      
1 1 1 3  56 17 o -4.782000      2.484000      ?             ?      
1 1 1 3  56 18 o 0.3508000      2.183000      ?             ?      
1 1 1 3  56 19 o -0.2267000     2.244000      ?             ?      
1 1 1 3  56 20 o -2.297000      2.094000      ?             ?      
1 1 1 3  56 21 o -1.562000      2.291000      ?             ?      
1 1 1 3  56 22 o -0.3515000     2.325000      ?             ?      
1 1 1 3  56 23 o 4.138000       3.475000      ?             ?      
1 1 1 3  56 24 o -1.411000      3.837000      ?             ?      
1 1 1 3  56 25 o -0.2099000     1.788000      ?             ?      
1 1 1 3  56 26 o -0.2835000     1.797000      ?             ?      
1 1 1 3  56 27 o 2.507000       1.789000      ?             ?      
1 1 1 3  56 28 o -0.9357000     1.813000      ?             ?      
1 1 1 3  56 29 o 5.222000       1.886000      ?             ?      
1 1 1 3  56 30 o 1.400000       1.852000      ?             ?      
1 1 1 3  56 31 o -0.2151000     1.828000      ?             ?      
1 1 1 3  56 32 o 3.517000       1.868000      ?             ?      
1 1 1 3  56 33 o 1.331000       1.890000      ?             ?      
1 1 1 3  56 34 o -0.6729000     1.886000      ?             ?      
1 1 1 3  56 35 o 1.080000       2.284000      ?             ?      
1 1 1 3  56 36 o -1.539000      2.294000      ?             ?      
1 1 1 3  56 37 o 4.109000       2.388000      ?             ?      
1 1 1 3  56 40 o 1.519000       2.397000      ?             ?      
1 1 1 3  56 41 o 2.554000       2.438000      ?             ?      
1 1 1 3  56 42 o 1.933000       2.467000      ?             ?      
1 1 1 3  57 0  o 0.5561000      1.225000      ?             ?      
1 1 1 3  57 1  o 0.1011000      0.8681000     ?             ?      
1 1 1 3  57 2  o 2.531000       0.8829000     ?             ?      
1 1 1 3  57 3  o -1.374000      0.8372000     ?             ?      
1 1 1 3  57 4  o -0.1307000     0.9588000     ?             ?      
1 1 1 3  57 5  o 1.450000       0.9071000     ?             ?      
1 1 1 3  57 6  o 6.119000       1.038000      ?             ?      
1 1 1 3  57 7  o 5.583000       0.8058000     ?             ?      
1 1 1 3  57 8  o 0.4278000      0.7509000     ?             ?      
1 1 1 3  57 9  o 3.060000       0.7530000     ?             ?      
1 1 1 3  57 10 o 3.080000       0.5881000     ?             ?      
1 1 1 3  57 11 o -2.105000      1.255000      ?             ?      
1 1 1 3  57 12 o -0.6697000     1.523000      ?             ?      
1 1 1 3  57 13 o 2.996000       1.566000      ?             ?      
1 1 1 3  57 14 o 0.4005000      1.560000      ?             ?      
1 1 1 3  57 15 o -0.3059000     1.573000      ?             ?      
1 1 1 3  57 16 o 1.744000       1.606000      ?             ?      
1 1 1 3  57 17 o 0.1599000      1.638000      ?             ?      
1 1 1 3  57 18 o 2.716000       1.682000      ?             ?      
1 1 1 3  57 19 o 1.912000       1.727000      ?             ?      
1 1 1 3  57 20 o 1.829000       2.212000      ?             ?      
1 1 1 3  57 21 o 4.618000       2.652000      ?             ?      
1 1 1 3  57 22 o -2.053000      2.459000      ?             ?      
1 1 1 3  57 24 o -4.391000      2.455000      ?             ?      
1 1 1 3  57 25 o 0.8007000      2.373000      ?             ?      
1 1 1 3  57 26 o 0.8535000      2.431000      ?             ?      
1 1 1 3  57 27 f 0.5238000      2.121000      ?             ?      
1 1 1 3  57 28 o 1.911000       1.874000      ?             ?      
1 1 1 3  57 29 o -1.214000      1.858000      ?             ?      
1 1 1 3  57 30 o 0.3791000      1.868000      ?             ?      
1 1 1 3  57 31 o 1.957000       1.865000      ?             ?      
1 1 1 3  57 32 o 5.051000       2.288000      ?             ?      
1 1 1 3  57 33 o -0.1662000     2.250000      ?             ?      
1 1 1 3  57 34 o 4.072000       2.348000      ?             ?      
1 1 1 3  57 35 o -2.718000      2.281000      ?             ?      
1 1 1 3  57 36 o 4.020000       2.328000      ?             ?      
1 1 1 3  57 37 o -0.8604000     2.668000      ?             ?      
1 1 1 3  57 39 o -1.854000      2.444000      ?             ?      
1 1 1 3  57 40 o 4.440000       2.457000      ?             ?      
1 1 1 3  58 0  o 0.9234000      1.215000      ?             ?      
1 1 1 3  58 1  o 0.2959000      0.8581000     ?             ?      
1 1 1 3  58 2  o 2.522000       0.8664000     ?             ?      
1 1 1 3  58 3  o 0.4901000      0.8415000     ?             ?      
1 1 1 3  58 4  o 1.205000       0.9381000     ?             ?      
1 1 1 3  58 5  o -1.311000      0.8970000     ?             ?      
1 1 1 3  58 6  o 3.695000       1.014000      ?             ?      
1 1 1 3  58 7  o -0.1126000     0.8424000     ?             ?      
1 1 1 3  58 8  o 2.113000       0.7188000     ?             ?      
1 1 1 3  58 9  o 0.6280000      0.7102000     ?             ?      
1 1 1 3  58 10 o -0.1051000     0.5356000     ?             ?      
1 1 1 3  58 11 o 0.1276000      1.234000      ?             ?      
1 1 1 3  58 12 o 2.919000       2.262000      ?             ?      
1 1 1 3  58 13 o 2.234000       1.536000      ?             ?      
1 1 1 3  58 14 o -0.9345000     1.521000      ?             ?      
1 1 1 3  58 15 o -2.281000      1.507000      ?             ?      
1 1 1 3  58 16 o 1.811000       1.589000      ?             ?      
1 1 1 3  58 17 o 0.8007000      1.628000      ?             ?      
1 1 1 3  58 18 o 0.4589000      1.678000      ?             ?      
1 1 1 3  58 19 o 4.500000       1.749000      ?             ?      
1 1 1 3  58 20 o 1.205000       1.734000      ?             ?      
1 1 1 3  58 21 o 9.687000       2.240000      ?             ?      
1 1 1 3  58 22 o -1.273000      3.437000      ?             ?      
1 1 1 3  58 23 o 4.591000       3.955000      ?             ?      
1 1 1 3  58 24 o 0.6813000      2.728000      ?             ?      
1 1 1 3  58 25 o -2.085000      2.754000      ?             ?      
1 1 1 3  58 26 o 4.122000       2.423000      ?             ?      
1 1 1 3  58 27 o -4.418000      2.489000      ?             ?      
1 1 1 3  58 28 o 0.1168000      2.251000      ?             ?      
1 1 1 3  58 29 o 2.606000       2.491000      ?             ?      
1 1 1 3  58 30 o 6.113000       2.561000      ?             ?      
1 1 1 3  58 31 o -2.040000      2.514000      ?             ?      
1 1 1 3  58 32 o 7.252000       2.604000      ?             ?      
1 1 1 3  58 33 o 1.708000       2.310000      ?             ?      
1 1 1 3  58 34 o -3.180000      2.252000      ?             ?      
1 1 1 3  58 35 f -1.094000      2.319000      ?             ?      
1 1 1 3  58 36 o -0.5400000E-01 2.675000      ?             ?      
1 1 1 3  58 38 < 0.000000       -1.000000     ?             ?      
1 1 1 3  58 39 o 1.908000       3.953000      ?             ?      
1 1 1 3  59 0  o -1.182000      1.205000      ?             ?      
1 1 1 3  59 1  o 3.493000       0.8751000     ?             ?      
1 1 1 3  59 2  o 2.412000       0.8645000     ?             ?      
1 1 1 3  59 3  o 0.3395000      0.8393000     ?             ?      
1 1 1 3  59 4  o 2.536000       0.9362000     ?             ?      
1 1 1 3  59 5  o 3.043000       1.017000      ?             ?      
1 1 1 3  59 6  o 2.548000       1.483000      ?             ?      
1 1 1 3  59 7  o 2.304000       0.9772000     ?             ?      
1 1 1 3  59 8  o 0.1484000      0.6807000     ?             ?      
1 1 1 3  59 9  o 0.4234000      0.6841000     ?             ?      
1 1 1 3  59 10 o 0.5266000      0.5100000     ?             ?      
1 1 1 3  59 11 o -0.2404000E-01 1.226000      ?             ?      
1 1 1 3  59 12 o 1.653000       1.173000      ?             ?      
1 1 1 3  59 13 o 0.8780000      1.525000      ?             ?      
1 1 1 3  59 14 o 5.993000       1.568000      ?             ?      
1 1 1 3  59 15 o 5.308000       1.593000      ?             ?      
1 1 1 3  59 16 o -0.1020000     1.534000      ?             ?      
1 1 1 3  59 17 o 2.595000       1.609000      ?             ?      
1 1 1 3  59 18 o 1.006000       1.671000      ?             ?      
1 1 1 3  59 19 o 2.758000       2.515000      ?             ?      
1 1 1 3  59 20 o 6.296000       1.772000      ?             ?      
1 1 1 3  59 21 o 2.042000       2.119000      ?             ?      
1 1 1 3  59 22 o -3.071000      3.516000      ?             ?      
1 1 1 3  59 23 o -0.6932000     2.300000      ?             ?      
1 1 1 3  59 24 o 0.4566000      1.810000      ?             ?      
1 1 1 3  59 25 o 5.353000       1.841000      ?             ?      
1 1 1 3  59 26 o 3.345000       2.262000      ?             ?      
1 1 1 3  59 27 o -0.1520000     2.248000      ?             ?      
1 1 1 3  59 28 o -0.1080000     2.688000      ?             ?      
1 1 1 3  59 29 o -3.374000      3.811000      ?             ?      
1 1 1 3  59 30 o -2.413000      3.958000      ?             ?      
1 1 1 3  59 31 o 3.039000       2.654000      ?             ?      
1 1 1 3  59 32 o -1.255000      2.618000      ?             ?      
1 1 1 3  59 33 o -0.1674000     2.669000      ?             ?      
1 1 1 3  59 34 o 3.958000       3.892000      ?             ?      
1 1 1 3  59 35 o -0.5785000     2.618000      ?             ?      
1 1 1 3  59 36 o -4.556000      2.708000      ?             ?      
1 1 1 3  60 0  o 3.161000       1.205000      ?             ?      
1 1 1 3  60 1  o 1.109000       0.8449000     ?             ?      
1 1 1 3  60 2  o 0.5681000      0.8343000     ?             ?      
1 1 1 3  60 3  f 1.034000       0.8254000     ?             ?      
1 1 1 3  60 4  o 0.7098000      0.9173000     ?             ?      
1 1 1 3  60 5  o 0.1093000      0.9608000     ?             ?      
1 1 1 3  60 6  o 1.008000       1.451000      ?             ?      
1 1 1 3  60 7  o -0.4137000     0.9477000     ?             ?      
1 1 1 3  60 8  f -0.7395000     0.6369000     ?             ?      
1 1 1 3  60 9  o 0.6761000      0.6494000     ?             ?      
1 1 1 3  60 10 o 0.2036000      0.4230000     ?             ?      
1 1 1 3  60 11 o 2.233000       1.247000      ?             ?      
1 1 1 3  60 12 o -0.1609000E-01 1.517000      ?             ?      
1 1 1 3  60 13 o -1.901000      1.512000      ?             ?      
1 1 1 3  60 14 o -0.8720000     1.528000      ?             ?      
1 1 1 3  60 15 o 0.4344000      1.543000      ?             ?      
1 1 1 3  60 16 o 1.336000       1.565000      ?             ?      
1 1 1 3  60 17 o 2.251000       1.631000      ?             ?      
1 1 1 3  60 18 o 2.361000       1.652000      ?             ?      
1 1 1 3  60 19 o 2.257000       1.685000      ?             ?      
1 1 1 3  60 20 o -2.262000      2.001000      ?             ?      
1 1 1 3  60 21 o -1.057000      2.406000      ?             ?      
1 1 1 3  60 22 o 5.915000       3.938000      ?             ?      
1 1 1 3  60 23 o 2.779000       2.472000      ?             ?      
1 1 1 3  60 24 o 1.501000       2.153000      ?             ?      
1 1 1 3  60 25 o -0.8170000     2.196000      ?             ?      
1 1 1 3  60 26 o 1.873000       2.257000      ?             ?      
1 1 1 3  60 27 o 1.042000       2.244000      ?             ?      
1 1 1 3  60 28 o 2.416000       2.594000      ?             ?      
1 1 1 3  60 29 o 0.2923000E-01  2.252000      ?             ?      
1 1 1 3  60 30 o -2.460000      2.260000      ?             ?      
1 1 1 3  60 31 o -0.9292000     2.333000      ?             ?      
1 1 1 3  60 32 o -1.479000      2.791000      ?             ?      
1 1 1 3  60 33 o -1.802000      4.069000      ?             ?      
1 1 1 3  60 34 o -3.294000      4.089000      ?             ?      
1 1 1 3  61 0  o -2.988000      1.169000      ?             ?      
1 1 1 3  61 1  o -0.2893000     0.8253000     ?             ?      
1 1 1 3  61 2  o 1.220000       0.8200000     ?             ?      
1 1 1 3  61 3  o 0.8250000      0.8108000     ?             ?      
1 1 1 3  61 4  o 0.1460000      0.7991000     ?             ?      
1 1 1 3  61 5  o 2.126000       0.9665000     ?             ?      
1 1 1 3  61 6  o 2.100000       1.068000      ?             ?      
1 1 1 3  61 7  o 0.8169000      0.9340000     ?             ?      
1 1 1 3  61 8  o -0.7177000E-01 0.6303000     ?             ?      
1 1 1 3  61 9  o 1.175000       0.6228000     ?             ?      
1 1 1 3  61 10 o 0.8746000      0.4961000     ?             ?      
1 1 1 3  61 11 o 1.136000       1.505000      ?             ?      
1 1 1 3  61 12 o 2.251000       1.159000      ?             ?      
1 1 1 3  61 13 o 1.364000       1.506000      ?             ?      
1 1 1 3  61 14 o 0.1818000      1.529000      ?             ?      
1 1 1 3  61 15 o -1.265000      1.536000      ?             ?      
1 1 1 3  61 16 o 0.2940000      1.583000      ?             ?      
1 1 1 3  61 17 o 0.2667000      1.617000      ?             ?      
1 1 1 3  61 18 o 2.597000       1.911000      ?             ?      
1 1 1 3  61 19 o 1.428000       1.907000      ?             ?      
1 1 1 3  61 20 o 3.562000       2.014000      ?             ?      
1 1 1 3  61 21 o -1.970000      3.304000      ?             ?      
1 1 1 3  61 22 o -3.031000      3.787000      ?             ?      
1 1 1 3  61 23 o 3.171000       2.153000      ?             ?      
1 1 1 3  61 24 o 3.887000       2.182000      ?             ?      
1 1 1 3  61 25 o -2.326000      2.162000      ?             ?      
1 1 1 3  61 26 o -3.531000      2.197000      ?             ?      
1 1 1 3  61 27 o 1.818000       2.247000      ?             ?      
1 1 1 3  61 28 o -0.1259000     2.249000      ?             ?      
1 1 1 3  61 29 o 0.1075000E-01  3.747000      ?             ?      
1 1 1 3  61 30 o -2.536000      2.284000      ?             ?      
1 1 1 3  61 31 o -2.261000      2.353000      ?             ?      
1 1 1 3  61 32 o 0.7617000      2.698000      ?             ?      
1 1 1 3  62 0  o -0.1891000E-01 1.173000      ?             ?      
1 1 1 3  62 1  o 2.861000       0.8415000     ?             ?      
1 1 1 3  62 2  o 1.295000       0.8277000     ?             ?      
1 1 1 3  62 3  o -0.3570000E-01 0.8116000     ?             ?      
1 1 1 3  62 4  o 0.2681000      0.7911000     ?             ?      
1 1 1 3  62 5  o 0.5022000      1.019000      ?             ?      
1 1 1 3  62 6  o 1.202000       1.122000      ?             ?      
1 1 1 3  62 7  o 2.015000       0.9100000     ?             ?      
1 1 1 3  62 8  o 0.1778000      0.7293000     ?             ?      
1 1 1 3  62 9  o 2.140000       0.6167000     ?             ?      
1 1 1 3  62 10 o 1.387000       1.183000      ?             ?      
1 1 1 3  62 11 o 1.613000       1.512000      ?             ?      
1 1 1 3  62 12 o -0.4050000     1.784000      ?             ?      
1 1 1 3  62 13 o 2.270000       1.806000      ?             ?      
1 1 1 3  62 14 o 1.295000       1.806000      ?             ?      
1 1 1 3  62 15 o -1.427000      1.820000      ?             ?      
1 1 1 3  62 16 o -1.809000      1.847000      ?             ?      
1 1 1 3  62 17 o -1.856000      1.889000      ?             ?      
1 1 1 3  62 18 o 0.9833000      1.945000      ?             ?      
1 1 1 3  62 19 o 0.4830000      1.942000      ?             ?      
1 1 1 3  62 20 o 2.243000       2.251000      ?             ?      
1 1 1 3  62 22 o -1.532000      2.425000      ?             ?      
1 1 1 3  62 23 o 0.3125000      2.064000      ?             ?      
1 1 1 3  62 24 o 0.4613000      2.101000      ?             ?      
1 1 1 3  62 25 o 1.303000       3.597000      ?             ?      
1 1 1 3  62 26 o -0.1881000E-01 2.248000      ?             ?      
1 1 1 3  62 27 o 0.2734000      2.281000      ?             ?      
1 1 1 3  62 28 o -0.5467000     2.274000      ?             ?      
1 1 1 3  62 29 o 4.231000       2.351000      ?             ?      
1 1 1 3  63 0  o 0.7233000      1.200000      ?             ?      
1 1 1 3  63 1  o 1.687000       0.8480000     ?             ?      
1 1 1 3  63 2  o -0.9611000     0.8330000     ?             ?      
1 1 1 3  63 3  o 0.6768000      0.8193000     ?             ?      
1 1 1 3  63 4  o 1.553000       0.8115000     ?             ?      
1 1 1 3  63 5  o 2.554000       1.047000      ?             ?      
1 1 1 3  63 6  o -0.9768000     1.124000      ?             ?      
1 1 1 3  63 7  o 1.353000       0.8133000     ?             ?      
1 1 1 3  63 8  o 0.7327000      0.6894000     ?             ?      
1 1 1 3  63 9  o -0.2318000     0.6042000     ?             ?      
1 1 1 3  63 10 o 2.656000       1.554000      ?             ?      
1 1 1 3  63 11 o -1.314000      1.760000      ?             ?      
1 1 1 3  63 12 o -1.756000      1.785000      ?             ?      
1 1 1 3  63 13 o -2.278000      1.798000      ?             ?      
1 1 1 3  63 14 o 1.473000       2.991000      ?             ?      
1 1 1 3  63 15 o -0.9294000     1.850000      ?             ?      
1 1 1 3  63 16 o 1.771000       1.879000      ?             ?      
1 1 1 3  63 17 o -0.4297000     3.086000      ?             ?      
1 1 1 3  63 18 o -0.4412000     1.933000      ?             ?      
1 1 1 3  63 19 f 0.9531000      1.995000      ?             ?      
1 1 1 3  63 20 o -6.415000      3.222000      ?             ?      
1 1 1 3  63 22 o -2.745000      2.452000      ?             ?      
1 1 1 3  63 23 o 2.367000       2.051000      ?             ?      
1 1 1 3  63 24 o 1.357000       2.073000      ?             ?      
1 1 1 3  63 25 o 1.014000       2.142000      ?             ?      
1 1 1 3  63 26 o -1.535000      2.169000      ?             ?      
1 1 1 3  64 0  o -0.4953000     1.197000      ?             ?      
1 1 1 3  64 1  o -0.3849000     0.8422000     ?             ?      
1 1 1 3  64 2  o -0.2306000     0.8500000     ?             ?      
1 1 1 3  64 3  o 2.397000       0.8488000     ?             ?      
1 1 1 3  64 4  o -0.6084000     0.7984000     ?             ?      
1 1 1 3  64 5  o -1.613000      1.014000      ?             ?      
1 1 1 3  64 6  o -0.1507000     1.099000      ?             ?      
1 1 1 3  64 7  o -0.2964000     0.7606000     ?             ?      
1 1 1 3  64 8  o -0.8886000E-01 0.7000000     ?             ?      
1 1 1 3  64 9  o 0.6106000      0.5702000     ?             ?      
1 1 1 3  64 10 o 2.309000       1.568000      ?             ?      
1 1 1 3  64 11 o 2.728000       1.841000      ?             ?      
1 1 1 3  64 12 o 0.2049000      1.835000      ?             ?      
1 1 1 3  64 13 o 2.366000       1.852000      ?             ?      
1 1 1 3  64 14 o 0.7358000      1.860000      ?             ?      
1 1 1 3  64 15 o 0.6789000      3.000000      ?             ?      
1 1 1 3  64 16 o 1.753000       1.950000      ?             ?      
1 1 1 3  64 17 o 3.191000       1.976000      ?             ?      
1 1 1 3  64 18 o 1.677000       1.977000      ?             ?      
1 1 1 3  64 19 f -4.849000      2.231000      ?             ?      
1 1 1 3  64 21 o 0.2004000      2.486000      ?             ?      
1 1 1 3  64 22 o 2.383000       2.059000      ?             ?      
1 1 1 3  64 23 o 0.4469000      2.077000      ?             ?      
1 1 1 3  65 0  o 0.3142000      1.192000      ?             ?      
1 1 1 3  65 1  o -0.8442000     0.8530000     ?             ?      
1 1 1 3  65 2  o 2.692000       0.8708000     ?             ?      
1 1 1 3  65 3  o 1.231000       0.8430000     ?             ?      
1 1 1 3  65 4  o -1.185000      0.8062000     ?             ?      
1 1 1 3  65 5  o 1.538000       1.179000      ?             ?      
1 1 1 3  65 6  o 0.3907000      1.098000      ?             ?      
1 1 1 3  65 7  o 0.3793000      0.7533000     ?             ?      
1 1 1 3  65 8  o 1.735000       0.7087000     ?             ?      
1 1 1 3  65 9  o 0.6477000      0.5600000     ?             ?      
1 1 1 3  65 10 o 0.5875000      1.262000      ?             ?      
1 1 1 3  65 11 o -1.063000      2.271000      ?             ?      
1 1 1 3  65 12 o -6.565000      2.882000      ?             ?      
1 1 1 3  65 13 o -3.232000      1.827000      ?             ?      
1 1 1 3  65 14 o 0.2584000E-01  1.852000      ?             ?      
1 1 1 3  65 15 o 0.3497000      1.918000      ?             ?      
1 1 1 3  65 16 o -2.598000      1.916000      ?             ?      
1 1 1 3  65 17 o 3.711000       1.963000      ?             ?      
1 1 1 3  65 18 o 1.166000       1.988000      ?             ?      
1 1 1 3  65 19 o 0.5326000      3.294000      ?             ?      
1 1 1 3  66 0  o -2.453000      1.187000      ?             ?      
1 1 1 3  66 1  o 0.7413000      0.8581000     ?             ?      
1 1 1 3  66 2  o -0.8027000     0.8540000     ?             ?      
1 1 1 3  66 3  o 1.771000       0.8412000     ?             ?      
1 1 1 3  66 4  o -0.1092000     0.9415000     ?             ?      
1 1 1 3  66 5  f 0.3292000      1.187000      ?             ?      
1 1 1 3  66 6  o -0.2763000     1.082000      ?             ?      
1 1 1 3  66 7  o 1.364000       0.8519000     ?             ?      
1 1 1 3  66 8  o -0.8177000     0.6904000     ?             ?      
1 1 1 3  66 9  o 0.4940000      0.4494000     ?             ?      
1 1 1 3  66 10 o -2.073000      1.528000      ?             ?      
1 1 1 3  66 11 o 1.236000       1.202000      ?             ?      
1 1 1 3  66 12 o 3.177000       1.873000      ?             ?      
1 1 1 3  66 13 o 1.139000       1.885000      ?             ?      
1 1 1 3  66 14 o 0.4622000      1.923000      ?             ?      
1 1 1 3  67 0  o -0.8658000     1.207000      ?             ?      
1 1 1 3  67 1  o -0.5792000     0.8570000     ?             ?      
1 1 1 3  67 2  o -0.8790000     0.8495000     ?             ?      
1 1 1 3  67 3  o 1.495000       0.8352000     ?             ?      
1 1 1 3  67 4  o 1.649000       0.9880000     ?             ?      
1 1 1 3  67 5  o 1.466000       1.397000      ?             ?      
1 1 1 3  67 6  o -0.1504000     1.003000      ?             ?      
1 1 1 3  67 7  o 0.2191000      1.305000      ?             ?      
1 1 1 4  0  0  o 30.26000       1.233000      1802.441      180.0  
1 1 1 4  0  1  o 289.1000       8.025000      1159.562      90.0   
1 1 1 4  0  2  o 29.91000       0.7710000     794.0797      180.0  
1 1 1 4  0  3  o 327.6000       9.078000      1293.874      -90.0  
1 1 1 4  0  4  o 224.3000       6.237000      481.5413      -0.0   
1 1 1 4  0  5  o 265.9000       7.394000      2790.405      -90.0  
1 1 1 4  0  6  o 36.98000       1.095000      856.3120      180.0  
1 1 1 4  0  7  o 60.46000       1.743000      1190.691      90.0   
1 1 1 4  0  8  o 103.2000       2.935000      159.4948      -180.0 
1 1 1 4  0  9  o 442.4000       12.30000      2416.747      -90.0  
1 1 1 4  0  10 o 35.20000       1.122000      1159.621      0.0    
1 1 1 4  0  11 o 122.4000       3.487000      948.5530      90.0   
1 1 1 4  0  12 o 84.10000       2.454000      539.0599      180.0  
1 1 1 4  0  13 o 522.9000       14.55000      3321.463      -90.0  
1 1 1 4  0  14 o 233.5000       6.566000      1339.145      -180.0 
1 1 1 4  0  15 o 147.3000       4.208000      684.6351      -90.0  
1 1 1 4  0  16 o 6.194000       0.9201000     546.9478      -0.0   
1 1 1 4  0  18 o 250.5000       9.995000      1819.503      180.0  
1 1 1 4  0  19 o 243.8000       6.886000      1676.931      -90.0  
1 1 1 4  0  20 o 2.512000       0.7161000     178.2025      0.0    
1 1 1 4  0  21 o 13.46000       0.8876000     300.4266      -90.0  
1 1 1 4  0  22 o 155.1000       4.486000      2127.677      -0.0   
1 1 1 4  0  23 o 21.27000       1.083000      643.8383      -90.0  
1 1 1 4  0  24 o 123.3000       3.652000      1661.298      180.0  
1 1 1 4  0  25 o 8.639000       0.9456000     139.4422      -90.0  
1 1 1 4  0  26 o 130.1000       3.866000      1581.236      0.0    
1 1 1 4  0  27 o 185.0000       5.377000      1789.846      -90.0  
1 1 1 4  0  28 o 44.78000       1.773000      1203.789      -0.0   
1 1 1 4  0  29 o 176.1000       5.170000      2109.259      90.0   
1 1 1 4  0  30 o 7.373000       1.231000      678.9583      180.0  
1 1 1 4  0  31 o 1676.000       46.55000      ?             ?      
1 1 1 4  0  32 o 10.52000       1.441000      208.4951      180.0  
1 1 1 4  0  33 o 56.37000       3.157000      644.8268      90.0   
1 1 1 4  0  34 o 487.4000       15.94000      3073.301      0.0    
1 1 1 4  0  36 o 28.60000       2.633000      871.9687      -0.0   
1 1 1 4  0  37 o 26.53000       2.216000      604.2415      90.0   
1 1 1 4  0  38 o 20.56000       1.761000      410.9810      -180.0 
1 1 1 4  0  39 o 20.99000       1.731000      537.5536      90.0   
1 1 1 4  0  40 o 183.6000       5.551000      1771.883      -180.0 
1 1 1 4  0  41 o 179.1000       5.425000      1977.321      90.0   
1 1 1 4  0  42 o 312.4000       9.018000      2132.187      -180.0 
1 1 1 4  0  43 o 14.28000       1.560000      430.2273      90.0   
1 1 1 4  0  44 o 5.128000       1.645000      518.2730      180.0  
1 1 1 4  0  45 o 7.784000       1.690000      439.5219      -90.0  
1 1 1 4  0  46 o 82.00000       3.463000      1213.377      180.0  
1 1 1 4  0  47 o 2.944000       1.859000      326.2662      90.0   
1 1 1 4  0  48 o 32.06000       2.794000      547.5687      180.0  
1 1 1 4  0  49 o 78.97000       3.413000      1147.409      90.0   
1 1 1 4  0  50 o 15.49000       1.699000      621.3439      180.0  
1 1 1 4  0  51 o 153.3000       6.964000      ?             ?      
1 1 1 4  0  52 o 6.843000       2.427000      163.3615      0.0    
1 1 1 4  0  53 o 143.6000       4.734000      ?             ?      
1 1 1 4  0  54 o 34.14000       2.183000      778.6225      -0.0   
1 1 1 4  0  55 o 29.77000       2.158000      750.7878      90.0   
1 1 1 4  0  56 o 15.95000       1.971000      107.8788      0.0    
1 1 1 4  0  57 o 7.326000       1.893000      406.6901      -90.0  
1 1 1 4  0  58 o 52.01000       2.682000      979.9367      0.0    
1 1 1 4  0  59 o 8.678000       2.031000      540.9043      90.0   
1 1 1 4  0  60 o 25.14000       2.249000      827.2312      180.0  
1 1 1 4  0  61 o 66.73000       3.085000      ?             ?      
1 1 1 4  0  62 o 6.675000       2.043000      348.2226      180.0  
1 1 1 4  0  63 o 23.27000       2.664000      ?             ?      
1 1 1 4  0  64 o 3.463000       1.977000      ?             ?      
1 1 1 4  0  65 o 9.468000       2.049000      ?             ?      
1 1 1 4  0  66 o 7.426000       2.892000      ?             ?      
1 1 1 4  0  67 o 16.34000       3.058000      ?             ?      
1 1 1 4  0  68 o 3.271000       1.989000      ?             ?      
1 1 1 4  0  69 o 44.98000       2.681000      ?             ?      
1 1 1 4  0  70 o 1.578000       1.972000      ?             ?      
1 1 1 4  0  71 o -0.8960000     1.963000      ?             ?      
1 1 1 4  0  72 o 5.433000       2.013000      ?             ?      
1 1 1 4  0  73 o 0.5512000      1.986000      ?             ?      
1 1 1 4  0  74 o 2.298000       1.989000      ?             ?      
1 1 1 4  0  75 o 3.396000       2.025000      ?             ?      
1 1 1 4  0  76 o 0.6424000      2.021000      ?             ?      
1 1 1 4  0  77 o 9.437000       2.156000      ?             ?      
1 1 1 4  1  0  o 1.881000       0.1292000     25.88009      -180.0 
1 1 1 4  1  1  o 93.94000       1.587000      832.9533      -128.8 
1 1 1 4  1  2  o 402.1000       7.466000      1469.524      73.6   
1 1 1 4  1  3  f 487.5000       9.546000      2282.752      -54.0  
1 1 1 4  1  4  o 115.3000       2.275000      1433.476      -119.6 
1 1 1 4  1  5  o 51.20000       1.036000      1508.875      -94.0  
1 1 1 4  1  6  o 112.1000       2.227000      2127.698      46.9   
1 1 1 4  1  7  o 189.8000       3.748000      2090.049      55.5   
1 1 1 4  1  8  o 49.77000       1.039000      950.0390      96.4   
1 1 1 4  1  9  o 576.3000       11.31000      3624.899      -171.3 
1 1 1 4  1  10 o 492.6000       9.675000      3378.386      -156.9 
1 1 1 4  1  11 o 18.59000       0.5253000     636.1368      45.9   
1 1 1 4  1  12 o 223.4000       4.433000      1939.490      62.4   
1 1 1 4  1  13 o 250.8000       4.973000      2807.262      159.1  
1 1 1 4  1  14 o 874.3000       17.15000      4002.457      52.0   
1 1 1 4  1  15 o 181.5000       3.641000      1917.016      -22.5  
1 1 1 4  1  16 o 102.7000       2.460000      1733.481      -58.4  
1 1 1 4  1  17 o 236.2000       8.032000      2298.346      -52.0  
1 1 1 4  1  18 o 124.8000       4.148000      1200.381      148.0  
1 1 1 4  1  19 o 27.68000       0.9237000     511.1793      -27.2  
1 1 1 4  1  20 o 45.97000       1.106000      1199.135      105.8  
1 1 1 4  1  21 o 99.41000       2.102000      1519.158      -163.4 
1 1 1 4  1  22 o 42.94000       1.087000      1465.523      -139.9 
1 1 1 4  1  23 o 123.8000       2.584000      1649.286      88.0   
1 1 1 4  1  24 o 170.1000       3.483000      1675.170      -156.9 
1 1 1 4  1  25 o 417.8000       8.290000      3075.805      -48.4  
1 1 1 4  1  26 o 84.39000       1.885000      1185.550      -105.4 
1 1 1 4  1  27 o 1528.000       29.98000      ?             ?      
1 1 1 4  1  28 o 380.7000       7.594000      2668.340      -65.0  
1 1 1 4  1  29 o 54.22000       1.433000      921.4915      67.7   
1 1 1 4  1  30 o 21.27000       1.001000      901.7529      -176.2 
1 1 1 4  1  31 o 342.3000       6.886000      2462.194      40.9   
1 1 1 4  1  32 o 118.6000       2.649000      1566.590      -134.0 
1 1 1 4  1  33 o 263.4000       5.396000      2319.023      26.7   
1 1 1 4  1  34 o 442.8000       10.24000      2800.146      93.2   
1 1 1 4  1  35 o 200.4000       7.411000      1932.480      23.3   
1 1 1 4  1  36 o 62.40000       2.411000      1128.727      173.9  
1 1 1 4  1  37 o 216.3000       4.549000      2084.853      -173.6 
1 1 1 4  1  38 o 133.9000       3.011000      1569.542      -59.0  
1 1 1 4  1  39 o 77.12000       2.015000      935.0452      -60.5  
1 1 1 4  1  40 o 52.34000       1.622000      1376.922      155.9  
1 1 1 4  1  41 o 63.44000       1.780000      1131.903      41.5   
1 1 1 4  1  42 o 165.2000       3.851000      2092.795      108.7  
1 1 1 4  1  43 o 61.68000       1.990000      1326.256      -116.2 
1 1 1 4  1  44 o 58.43000       1.829000      1130.133      -176.5 
1 1 1 4  1  45 o 201.3000       4.611000      ?             ?      
1 1 1 4  1  46 o 6.671000       1.163000      400.2010      166.9  
1 1 1 4  1  47 o 60.42000       2.039000      1070.396      -128.6 
1 1 1 4  1  48 o 73.40000       2.166000      1197.568      93.7   
1 1 1 4  1  49 o 11.87000       1.415000      328.1135      -24.1  
1 1 1 4  1  50 o 15.05000       1.363000      408.5538      56.6   
1 1 1 4  1  51 o 9.939000       2.393000      329.8821      106.4  
1 1 1 4  1  52 o 43.24000       3.346000      1072.194      97.7   
1 1 1 4  1  53 o 4.744000       1.415000      180.3965      -90.0  
1 1 1 4  1  54 o 20.80000       1.391000      572.7700      72.9   
1 1 1 4  1  55 o 17.93000       1.392000      525.7263      -30.3  
1 1 1 4  1  56 o 14.67000       1.384000      546.6381      -70.9  
1 1 1 4  1  57 o 36.94000       1.650000      986.3354      127.3  
1 1 1 4  1  58 o 15.21000       1.468000      454.6272      153.3  
1 1 1 4  1  59 o 47.24000       1.863000      1128.058      159.8  
1 1 1 4  1  60 o 7.190000       1.437000      321.7225      -14.1  
1 1 1 4  1  61 o 20.52000       1.575000      794.3355      -95.3  
1 1 1 4  1  62 o 19.08000       1.570000      498.7079      -46.1  
1 1 1 4  1  63 o 16.46000       1.529000      ?             ?      
1 1 1 4  1  64 o 1.925000       1.388000      ?             ?      
1 1 1 4  1  65 o 1.799000       1.591000      ?             ?      
1 1 1 4  1  66 o 9.432000       2.804000      ?             ?      
1 1 1 4  1  67 o 15.26000       2.633000      ?             ?      
1 1 1 4  1  68 f 7.611000       1.539000      ?             ?      
1 1 1 4  1  69 o 0.8739000      1.395000      ?             ?      
1 1 1 4  1  70 o 2.716000       1.402000      ?             ?      
1 1 1 4  1  71 o 9.654000       1.464000      ?             ?      
1 1 1 4  1  72 o 0.9186000      1.392000      ?             ?      
1 1 1 4  1  73 o 2.699000       1.403000      ?             ?      
1 1 1 4  1  74 o 3.959000       1.439000      ?             ?      
1 1 1 4  1  75 o 5.387000       1.462000      ?             ?      
1 1 1 4  1  76 o 1.902000       1.451000      ?             ?      
1 1 1 4  1  77 o 2.767000       1.463000      ?             ?      
1 1 1 4  2  0  o 33.68000       0.9589000     1802.154      -180.0 
1 1 1 4  2  1  o 542.9000       9.783000      ?             ?      
1 1 1 4  2  2  o 13.17000       0.3317000     285.7151      93.4   
1 1 1 4  2  3  o 15.52000       0.3650000     376.5366      -164.8 
1 1 1 4  2  4  o 813.0000       15.91000      3995.694      35.3   
1 1 1 4  2  5  o 198.2000       3.899000      1898.744      14.8   
1 1 1 4  2  6  o 156.8000       3.097000      1369.290      -62.5  
1 1 1 4  2  7  o 19.47000       0.4649000     849.4913      -58.8  
1 1 1 4  2  8  o 1257.000       24.60000      4956.485      -130.0 
1 1 1 4  2  9  o 69.38000       1.425000      778.0775      -131.7 
1 1 1 4  2  10 o 257.0000       5.077000      2549.326      102.2  
1 1 1 4  2  11 o 599.8000       11.78000      3601.558      8.7    
1 1 1 4  2  12 o 14.88000       0.4888000     1275.199      -97.5  
1 1 1 4  2  13 o 168.8000       3.379000      2607.353      -161.6 
1 1 1 4  2  14 o 233.6000       4.645000      2348.348      -57.3  
1 1 1 4  2  15 o 36.16000       1.011000      821.2375      -27.6  
1 1 1 4  2  16 o 194.5000       5.504000      1304.262      -146.6 
1 1 1 4  2  17 o 390.9000       10.93000      2718.436      -117.7 
1 1 1 4  2  18 o 48.33000       1.615000      1239.088      29.2   
1 1 1 4  2  19 o 103.3000       2.497000      1202.226      166.7  
1 1 1 4  2  20 o 31.20000       0.8646000     731.0372      54.1   
1 1 1 4  2  21 o 14.47000       0.6441000     517.5483      159.4  
1 1 1 4  2  22 o 396.5000       7.860000      2409.340      24.8   
1 1 1 4  2  23 o 162.3000       3.321000      1721.473      -97.2  
1 1 1 4  2  24 o 182.1000       3.712000      1651.790      -153.8 
1 1 1 4  2  25 o 163.6000       3.365000      1818.300      -28.2  
1 1 1 4  2  26 o 277.2000       5.567000      2562.320      -115.6 
1 1 1 4  2  27 o 45.56000       1.236000      1238.054      21.8   
1 1 1 4  2  28 o 54.83000       1.413000      700.1059      -104.2 
1 1 1 4  2  29 o 222.6000       4.543000      1924.906      51.6   
1 1 1 4  2  30 o 45.54000       1.329000      1492.855      43.8   
1 1 1 4  2  31 o 103.8000       2.350000      1614.413      98.3   
1 1 1 4  2  32 o 448.7000       8.959000      3420.408      157.2  
1 1 1 4  2  33 o 161.4000       3.734000      1832.495      60.1   
1 1 1 4  2  34 o 137.8000       4.298000      2032.221      64.9   
1 1 1 4  2  35 o 85.63000       3.072000      1353.169      -178.8 
1 1 1 4  2  36 o 76.80000       2.881000      1281.661      114.8  
1 1 1 4  2  37 o 183.7000       4.547000      1577.041      103.8  
1 1 1 4  2  38 o 18.51000       1.227000      481.2342      -78.3  
1 1 1 4  2  39 o 14.70000       1.264000      323.6387      -73.5  
1 1 1 4  2  40 o 163.3000       3.829000      1948.467      118.5  
1 1 1 4  2  41 o 22.42000       1.335000      676.2589      130.8  
1 1 1 4  2  42 o 107.4000       3.105000      1361.107      100.8  
1 1 1 4  2  43 o 101.9000       2.633000      1732.851      36.7   
1 1 1 4  2  44 o 38.26000       1.492000      1104.391      135.3  
1 1 1 4  2  46 o 50.05000       1.593000      882.2778      -59.6  
1 1 1 4  2  47 o 32.40000       1.359000      936.3601      178.2  
1 1 1 4  2  48 o 8.238000       1.113000      248.5545      -28.8  
1 1 1 4  2  49 o 27.95000       1.404000      728.3752      167.0  
1 1 1 4  2  50 o 13.67000       1.479000      488.4620      168.1  
1 1 1 4  2  51 o 13.97000       1.551000      526.4955      -133.7 
1 1 1 4  2  52 o 39.60000       2.161000      836.5421      2.7    
1 1 1 4  2  53 o 27.64000       1.850000      829.1348      -77.3  
1 1 1 4  2  54 o 46.14000       1.841000      1104.333      109.0  
1 1 1 4  2  55 o 95.44000       2.744000      ?             ?      
1 1 1 4  2  56 o 29.33000       1.534000      914.4654      150.4  
1 1 1 4  2  57 o 37.72000       1.823000      848.3062      -77.3  
1 1 1 4  2  58 o 13.74000       1.449000      518.1141      -19.5  
1 1 1 4  2  59 o 60.98000       2.053000      ?             ?      
1 1 1 4  2  60 o 11.20000       1.465000      565.6361      168.8  
1 1 1 4  2  61 o 32.82000       1.699000      901.8438      34.4   
1 1 1 4  2  62 o 4.716000       1.433000      ?             ?      
1 1 1 4  2  63 o 3.273000       1.422000      ?             ?      
1 1 1 4  2  64 o 1.780000       1.395000      ?             ?      
1 1 1 4  2  65 o 4.102000       1.614000      ?             ?      
1 1 1 4  2  66 o 6.185000       1.912000      ?             ?      
1 1 1 4  2  67 o 1.428000       1.887000      ?             ?      
1 1 1 4  2  68 o 1.558000       1.617000      ?             ?      
1 1 1 4  2  69 f 0.4297000E-01  1.405000      ?             ?      
1 1 1 4  2  70 o 0.2691000      1.405000      ?             ?      
1 1 1 4  2  71 o 4.145000       1.432000      ?             ?      
1 1 1 4  2  72 o 3.796000       1.419000      ?             ?      
1 1 1 4  2  73 o 6.824000       1.454000      ?             ?      
1 1 1 4  2  74 o 6.073000       2.077000      ?             ?      
1 1 1 4  2  75 o 3.175000       1.466000      ?             ?      
1 1 1 4  2  76 f -1.167000      1.457000      ?             ?      
1 1 1 4  2  77 o 3.471000       1.482000      ?             ?      
1 1 1 4  3  0  o 13.84000       0.4194000     399.1308      -180.0 
1 1 1 4  3  1  o 19.91000       0.3745000     297.2422      -133.1 
1 1 1 4  3  2  o 387.0000       7.209000      ?             ?      
1 1 1 4  3  3  o 107.0000       2.000000      992.4473      34.5   
1 1 1 4  3  4  o 6.666000       0.1979000     379.8792      -151.1 
1 1 1 4  3  5  o 151.9000       2.998000      1935.042      -93.0  
1 1 1 4  3  6  o 299.1000       5.885000      3013.999      129.7  
1 1 1 4  3  7  o 116.8000       2.327000      1848.670      -38.1  
1 1 1 4  3  8  o 541.0000       10.61000      3467.210      -162.9 
1 1 1 4  3  9  o 387.4000       7.618000      2835.860      153.7  
1 1 1 4  3  10 o 199.6000       3.958000      2015.776      156.8  
1 1 1 4  3  11 o 542.8000       10.67000      2783.390      91.1   
1 1 1 4  3  12 o 46.80000       1.035000      809.5448      -0.9   
1 1 1 4  3  13 o 510.5000       10.04000      3460.972      -64.3  
1 1 1 4  3  14 o 204.5000       4.080000      2648.313      16.8   
1 1 1 4  3  15 o 479.5000       10.91000      2971.172      -8.4   
1 1 1 4  3  16 o 96.75000       2.583000      1902.852      -35.9  
1 1 1 4  3  17 o 96.87000       2.338000      1027.080      102.7  
1 1 1 4  3  18 o 78.65000       2.190000      1416.748      -151.8 
1 1 1 4  3  19 o 93.35000       2.553000      1618.101      176.8  
1 1 1 4  3  20 o 132.1000       2.944000      1619.885      -124.4 
1 1 1 4  3  21 o 7.636000       0.5769000     352.6530      159.2  
1 1 1 4  3  22 o 283.1000       5.654000      2490.503      164.2  
1 1 1 4  3  23 o 64.52000       1.486000      1229.181      -121.7 
1 1 1 4  3  24 o 166.2000       3.406000      2003.338      -86.2  
1 1 1 4  3  25 o 25.45000       0.8774000     1161.067      -144.0 
1 1 1 4  3  26 o 146.5000       3.051000      1641.210      137.2  
1 1 1 4  3  27 o 71.35000       1.679000      1515.874      125.7  
1 1 1 4  3  28 o 24.61000       0.9612000     345.5040      0.9    
1 1 1 4  3  29 o 129.3000       2.776000      1427.231      156.0  
1 1 1 4  3  30 o 197.2000       4.076000      1862.212      42.7   
1 1 1 4  3  31 o 116.7000       2.592000      1943.234      -102.8 
1 1 1 4  3  32 o 64.95000       1.736000      1309.867      -162.7 
1 1 1 4  3  33 o 269.1000       6.351000      2148.672      143.5  
1 1 1 4  3  34 o 89.16000       3.084000      1502.052      144.3  
1 1 1 4  3  35 o 31.89000       1.481000      639.9482      -1.0   
1 1 1 4  3  36 o 221.2000       5.385000      2512.499      -97.7  
1 1 1 4  3  37 o 36.05000       1.913000      825.8084      -130.1 
1 1 1 4  3  38 o 34.17000       1.616000      412.5480      115.1  
1 1 1 4  3  39 o 39.82000       1.590000      1186.389      -74.3  
1 1 1 4  3  40 o 245.3000       5.522000      2370.614      149.7  
1 1 1 4  3  41 o 71.64000       2.091000      1398.589      -164.8 
1 1 1 4  3  42 o 68.12000       1.992000      1149.167      -177.5 
1 1 1 4  3  43 o 53.98000       1.612000      1153.472      -154.2 
1 1 1 4  3  44 o 18.26000       1.133000      722.8419      139.3  
1 1 1 4  3  45 o 52.90000       1.615000      1289.829      -127.8 
1 1 1 4  3  47 o 14.56000       1.147000      583.9604      -91.2  
1 1 1 4  3  48 o 26.64000       1.285000      711.3069      -150.7 
1 1 1 4  3  49 o 10.02000       1.204000      304.2269      81.1   
1 1 1 4  3  50 o 39.72000       2.025000      902.6998      -100.9 
1 1 1 4  3  51 o 43.71000       1.780000      945.5295      108.5  
1 1 1 4  3  52 o 4.865000       1.566000      328.4121      30.0   
1 1 1 4  3  53 o 18.65000       2.436000      640.9685      -9.8   
1 1 1 4  3  54 o 10.22000       2.014000      554.2729      -52.0  
1 1 1 4  3  55 o 59.21000       2.219000      1142.276      -159.2 
1 1 1 4  3  56 o 11.84000       1.452000      373.1945      -20.6  
1 1 1 4  3  58 o 7.514000       1.406000      325.6103      14.6   
1 1 1 4  3  59 o 16.00000       1.495000      656.1578      -74.0  
1 1 1 4  3  60 o 5.219000       1.419000      321.6980      -80.1  
1 1 1 4  3  61 o 7.101000       1.433000      332.3595      131.7  
1 1 1 4  3  62 o 26.45000       1.631000      ?             ?      
1 1 1 4  3  63 o 6.487000       1.450000      ?             ?      
1 1 1 4  3  64 o 6.967000       1.648000      ?             ?      
1 1 1 4  3  65 o 2.572000       1.966000      ?             ?      
1 1 1 4  3  66 o 4.357000       1.623000      ?             ?      
1 1 1 4  3  67 o 4.066000       1.650000      ?             ?      
1 1 1 4  3  68 o 3.743000       1.886000      ?             ?      
1 1 1 4  3  70 o 5.655000       1.445000      ?             ?      
1 1 1 4  3  72 o 1.838000       1.415000      ?             ?      
1 1 1 4  3  73 o 1.533000       1.435000      ?             ?      
1 1 1 4  3  74 o 2.189000       1.452000      ?             ?      
1 1 1 4  3  75 o 6.672000       1.640000      ?             ?      
1 1 1 4  3  77 o 1.928000       1.611000      ?             ?      
1 1 1 4  4  0  o 69.45000       1.596000      1050.849      -180.0 
1 1 1 4  4  1  o 38.80000       0.7012000     414.6928      -50.9  
1 1 1 4  4  2  o 172.0000       3.202000      1653.962      140.9  
1 1 1 4  4  3  o 85.95000       1.833000      1438.579      -115.6 
1 1 1 4  4  4  o 33.16000       0.8685000     861.3553      73.6   
1 1 1 4  4  5  o 358.8000       7.043000      3469.819      -48.8  
1 1 1 4  4  6  o 5.642000       0.2186000     454.5597      112.8  
1 1 1 4  4  7  o 314.8000       6.187000      2374.614      -162.3 
1 1 1 4  4  8  o 288.3000       5.677000      2411.345      -174.6 
1 1 1 4  4  9  o 81.27000       1.656000      1275.216      -146.6 
1 1 1 4  4  10 o 447.4000       8.795000      3199.236      -74.1  
1 1 1 4  4  11 o 542.6000       10.66000      3540.747      -18.5  
1 1 1 4  4  12 o 289.2000       5.722000      2500.800      -146.2 
1 1 1 4  4  13 o 18.55000       0.5633000     789.8289      6.5    
1 1 1 4  4  14 o 108.0000       2.548000      1256.490      31.4   
1 1 1 4  4  15 o 142.7000       4.070000      1119.978      -159.5 
1 1 1 4  4  16 o 41.41000       1.138000      926.8333      -77.4  
1 1 1 4  4  17 o 100.1000       2.089000      1204.271      29.3   
1 1 1 4  4  18 o 7.106000       0.6709000     314.2997      26.6   
1 1 1 4  4  19 f 147.8000       4.281000      2083.937      -88.6  
1 1 1 4  4  20 o 63.51000       1.663000      950.4710      -36.5  
1 1 1 4  4  21 o 7.337000       0.6195000     367.3014      117.6  
1 1 1 4  4  22 o 64.47000       1.479000      1106.328      151.9  
1 1 1 4  4  23 o 49.84000       1.324000      1345.128      -179.8 
1 1 1 4  4  24 o 80.61000       1.792000      1395.312      -57.1  
1 1 1 4  4  25 o 51.00000       1.288000      1166.828      -107.7 
1 1 1 4  4  26 o 97.79000       2.142000      1272.545      -110.4 
1 1 1 4  4  27 o 41.34000       1.184000      1195.769      90.1   
1 1 1 4  4  28 o 24.35000       0.9724000     848.1321      -149.4 
1 1 1 4  4  29 o 27.08000       1.037000      1074.554      52.9   
1 1 1 4  4  30 o 219.9000       4.517000      2398.843      175.6  
1 1 1 4  4  31 o 83.36000       2.006000      1097.728      167.3  
1 1 1 4  4  32 o 65.59000       1.875000      1252.025      131.2  
1 1 1 4  4  33 o 178.0000       5.321000      1731.695      141.2  
1 1 1 4  4  34 f 85.42000       2.499000      1028.303      65.2   
1 1 1 4  4  35 o 106.1000       2.730000      1575.276      -172.1 
1 1 1 4  4  36 o 88.90000       2.948000      1788.031      142.3  
1 1 1 4  4  37 o 107.6000       3.654000      1473.698      59.9   
1 1 1 4  4  38 o 68.76000       2.723000      1127.426      -8.7   
1 1 1 4  4  39 o 84.89000       2.337000      1141.195      148.1  
1 1 1 4  4  40 o 32.18000       1.352000      1321.666      52.4   
1 1 1 4  4  41 o 17.99000       1.165000      562.7302      -82.5  
1 1 1 4  4  42 o 11.16000       1.088000      673.7538      18.3   
1 1 1 4  4  43 o 81.14000       2.067000      1293.386      -48.6  
1 1 1 4  4  44 o 17.26000       1.113000      542.8216      -18.6  
1 1 1 4  4  45 o 62.06000       1.752000      1165.755      -61.2  
1 1 1 4  4  46 o 15.37000       1.136000      690.8363      -98.5  
1 1 1 4  4  47 o 57.05000       1.700000      1038.138      -173.6 
1 1 1 4  4  48 o 4.407000       1.068000      213.3591      166.7  
1 1 1 4  4  49 o 5.680000       1.241000      238.2452      -94.3  
1 1 1 4  4  50 o 7.212000       1.411000      436.9660      -171.8 
1 1 1 4  4  51 o 25.81000       1.362000      775.3977      58.6   
1 1 1 4  4  52 o 9.786000       1.229000      519.4054      134.3  
1 1 1 4  4  53 o 1.457000       1.682000      124.8838      147.9  
1 1 1 4  4  54 o 1.950000       1.565000      180.4785      18.0   
1 1 1 4  4  55 o 13.81000       1.545000      606.2586      -122.9 
1 1 1 4  4  56 o 93.43000       3.056000      ?             ?      
1 1 1 4  4  57 o 6.780000       1.496000      210.5496      0.2    
1 1 1 4  4  58 o 3.490000       1.468000      300.7396      -137.0 
1 1 1 4  4  59 o 31.19000       1.677000      879.2854      142.1  
1 1 1 4  4  60 o 5.800000       1.448000      372.8212      -32.2  
1 1 1 4  4  61 o 4.974000       1.444000      346.6143      102.6  
1 1 1 4  4  62 o 13.66000       1.509000      ?             ?      
1 1 1 4  4  63 o 4.334000       1.442000      ?             ?      
1 1 1 4  4  64 o 20.64000       1.795000      ?             ?      
1 1 1 4  4  65 o 7.182000       1.669000      ?             ?      
1 1 1 4  4  66 o 9.678000       1.463000      ?             ?      
1 1 1 4  4  67 o 0.4385000      1.542000      ?             ?      
1 1 1 4  4  68 o 7.780000       1.968000      ?             ?      
1 1 1 4  4  69 o 12.04000       1.744000      ?             ?      
1 1 1 4  4  70 f 2.518000       1.425000      ?             ?      
1 1 1 4  4  71 o 9.297000       1.478000      ?             ?      
1 1 1 4  4  72 o 2.411000       1.421000      ?             ?      
1 1 1 4  4  73 o 3.509000       1.446000      ?             ?      
1 1 1 4  4  74 o 1.901000       1.441000      ?             ?      
1 1 1 4  4  76 o -0.5694000     1.490000      ?             ?      
1 1 1 4  5  0  o 83.36000       2.330000      436.6992      -180.0 
1 1 1 4  5  1  o 61.16000       1.317000      1033.556      135.2  
1 1 1 4  5  2  o 139.5000       2.752000      995.3910      -160.7 
1 1 1 4  5  3  o 39.68000       0.7715000     978.2850      -86.4  
1 1 1 4  5  4  o 50.40000       1.023000      1347.827      155.7  
1 1 1 4  5  5  o 70.68000       1.641000      565.6221      -27.3  
1 1 1 4  5  6  o 92.77000       1.854000      1224.200      -169.7 
1 1 1 4  5  7  o 189.4000       3.745000      1918.622      -80.7  
1 1 1 4  5  8  o 40.40000       0.8664000     1020.131      -60.2  
1 1 1 4  5  9  o 24.68000       0.6368000     884.0760      85.4   
1 1 1 4  5  10 o 98.66000       1.999000      1198.054      79.1   
1 1 1 4  5  11 o 314.9000       6.222000      2313.322      -21.2  
1 1 1 4  5  12 o 183.7000       3.661000      1835.484      -144.6 
1 1 1 4  5  13 o 73.30000       1.545000      1502.272      -61.1  
1 1 1 4  5  14 o 75.67000       1.835000      1387.706      21.1   
1 1 1 4  5  15 o 5.408000       0.5823000     136.9519      32.6   
1 1 1 4  5  16 o 15.05000       0.6139000     625.8826      86.8   
1 1 1 4  5  17 o 111.4000       2.302000      1453.779      104.7  
1 1 1 4  5  18 o 17.92000       0.6940000     644.2601      -178.5 
1 1 1 4  5  19 o 2.867000       0.6802000     119.1877      72.7   
1 1 1 4  5  20 o 51.12000       1.587000      1225.814      -36.5  
1 1 1 4  5  21 o 13.01000       0.6988000     374.3807      115.6  
1 1 1 4  5  22 o 149.0000       3.067000      1862.014      -152.3 
1 1 1 4  5  23 o 8.050000       0.6298000     345.0793      -85.8  
1 1 1 4  5  24 o 3.405000       0.6228000     62.21560      -29.9  
1 1 1 4  5  25 o 101.6000       2.206000      1566.427      -155.0 
1 1 1 4  5  26 o 239.3000       4.845000      2099.667      -37.4  
1 1 1 4  5  27 o 24.07000       0.9364000     558.6208      2.8    
1 1 1 4  5  28 o 207.2000       4.253000      1788.202      -95.4  
1 1 1 4  5  29 o 191.6000       3.969000      1933.915      -97.8  
1 1 1 4  5  30 o 86.03000       2.037000      1641.421      -29.4  
1 1 1 4  5  31 o 72.19000       1.840000      994.0104      -135.4 
1 1 1 4  5  32 o 10.78000       1.339000      350.6168      89.1   
1 1 1 4  5  33 o 148.0000       5.563000      1724.943      -118.6 
1 1 1 4  5  34 o 94.74000       2.880000      1505.757      -39.3  
1 1 1 4  5  35 o 131.9000       3.246000      1403.341      -155.6 
1 1 1 4  5  36 o 106.7000       2.954000      1266.909      -142.5 
1 1 1 4  5  37 o 282.0000       7.512000      2506.173      157.2  
1 1 1 4  5  38 o 24.87000       1.716000      554.6315      -62.6  
1 1 1 4  5  39 o 16.01000       1.171000      408.7514      -121.9 
1 1 1 4  5  40 o 47.40000       1.530000      1085.548      -176.4 
1 1 1 4  5  41 o 28.58000       1.267000      665.9338      127.4  
1 1 1 4  5  42 o 66.00000       1.813000      1361.074      45.3   
1 1 1 4  5  43 o 19.51000       1.160000      801.4963      81.4   
1 1 1 4  5  44 o 20.79000       1.160000      629.3389      -6.9   
1 1 1 4  5  45 o 9.516000       1.059000      525.8771      -168.9 
1 1 1 4  5  46 o 65.60000       1.832000      1248.549      -2.4   
1 1 1 4  5  47 o 14.22000       1.140000      467.5214      -81.6  
1 1 1 4  5  48 o 41.43000       1.592000      871.6317      -70.5  
1 1 1 4  5  49 o 34.75000       1.795000      907.9059      -67.1  
1 1 1 4  5  50 o 11.91000       1.313000      380.3668      -84.1  
1 1 1 4  5  51 o 20.21000       1.277000      777.1183      102.9  
1 1 1 4  5  52 o -1.363000      1.154000      33.61277      -48.6  
1 1 1 4  5  53 o 36.07000       1.823000      833.2224      -53.8  
1 1 1 4  5  54 o 6.350000       1.708000      183.7031      -2.8   
1 1 1 4  5  55 o 4.157000       1.361000      228.5755      -41.4  
1 1 1 4  5  56 o 21.01000       1.536000      631.7617      -37.2  
1 1 1 4  5  57 o 12.30000       1.608000      560.3069      -141.0 
1 1 1 4  5  58 o 2.237000       1.516000      126.6580      172.4  
1 1 1 4  5  59 o 3.333000       1.549000      247.5402      -120.5 
1 1 1 4  5  60 o 9.367000       1.601000      574.4213      -56.1  
1 1 1 4  5  61 o 6.908000       1.568000      321.6582      81.0   
1 1 1 4  5  62 o 15.27000       1.524000      ?             ?      
1 1 1 4  5  63 o 3.873000       1.562000      ?             ?      
1 1 1 4  5  64 o 13.64000       1.941000      ?             ?      
1 1 1 4  5  65 o 6.079000       1.658000      ?             ?      
1 1 1 4  5  66 o 1.953000       1.400000      ?             ?      
1 1 1 4  5  67 o 3.866000       1.425000      ?             ?      
1 1 1 4  5  68 o 4.091000       1.666000      ?             ?      
1 1 1 4  5  69 o 0.2060000      1.640000      ?             ?      
1 1 1 4  5  70 o 4.460000       1.428000      ?             ?      
1 1 1 4  5  71 o -0.3260000     1.416000      ?             ?      
1 1 1 4  5  72 o 0.9115000      1.423000      ?             ?      
1 1 1 4  5  73 o 5.176000       1.466000      ?             ?      
1 1 1 4  5  75 o 4.744000       1.482000      ?             ?      
1 1 1 4  5  76 o 1.772000       1.594000      ?             ?      
1 1 1 4  6  0  o 7.238000       0.3208000     640.5607      -180.0 
1 1 1 4  6  1  o 9.640000       0.2297000     616.5681      151.1  
1 1 1 4  6  2  f 23.65000       0.5434000     808.1282      155.7  
1 1 1 4  6  3  o 128.7000       2.949000      1893.346      -122.5 
1 1 1 4  6  4  o 93.83000       1.672000      832.4936      -6.9   
1 1 1 4  6  5  o 0.4128000      0.1348000     ?             ?      
1 1 1 4  6  6  o 1.915000       0.2095000     67.79505      -85.5  
1 1 1 4  6  7  o 67.57000       1.377000      1240.395      -163.5 
1 1 1 4  6  8  o 143.7000       2.864000      1723.564      103.9  
1 1 1 4  6  9  o 412.0000       8.109000      2970.513      -53.1  
1 1 1 4  6  10 o 11.53000       0.4470000     613.6299      178.2  
1 1 1 4  6  11 o 284.2000       5.618000      2299.621      -136.2 
1 1 1 4  6  12 f 31.98000       0.7687000     1363.811      -70.2  
1 1 1 4  6  13 o 17.57000       0.6170000     836.7406      -67.7  
1 1 1 4  6  14 o 17.35000       0.7470000     896.2544      -43.5  
1 1 1 4  6  15 o 12.45000       0.5866000     590.7087      32.5   
1 1 1 4  6  16 o 18.75000       0.6223000     497.7145      132.7  
1 1 1 4  6  17 o 4.022000       0.4723000     359.1157      -180.0 
1 1 1 4  6  18 o 35.03000       0.9109000     1132.272      -129.3 
1 1 1 4  6  19 o 42.94000       1.237000      1156.192      -57.1  
1 1 1 4  6  20 o 1.259000       0.8003000     350.3008      -156.5 
1 1 1 4  6  21 o 103.1000       2.533000      1502.362      -153.1 
1 1 1 4  6  22 o 162.8000       3.338000      1732.484      -130.9 
1 1 1 4  6  23 o 65.21000       1.510000      1273.304      111.2  
1 1 1 4  6  24 o 75.52000       1.712000      1622.545      23.8   
1 1 1 4  6  25 o 5.394000       0.6839000     9.450595      -45.8  
1 1 1 4  6  26 o 7.050000       0.7300000     855.6245      -108.4 
1 1 1 4  6  27 o 45.92000       1.270000      1273.157      -0.2   
1 1 1 4  6  28 o 175.3000       3.658000      1754.305      67.3   
1 1 1 4  6  29 o 125.1000       2.741000      1409.431      31.5   
1 1 1 4  6  30 o 49.84000       1.558000      1161.831      54.1   
1 1 1 4  6  31 o 18.45000       1.316000      825.1834      -58.1  
1 1 1 4  6  32 o 128.2000       5.709000      2056.055      144.0  
1 1 1 4  6  33 o 250.3000       7.332000      2282.373      95.5   
1 1 1 4  6  34 o 21.50000       1.359000      562.6311      -125.5 
1 1 1 4  6  35 o 11.43000       1.272000      477.8787      30.1   
1 1 1 4  6  36 o 46.48000       1.552000      812.7579      -86.1  
1 1 1 4  6  37 o 30.72000       1.590000      747.4614      118.2  
1 1 1 4  6  38 o 79.13000       2.952000      1085.185      40.1   
1 1 1 4  6  39 o 28.49000       1.402000      699.8978      123.9  
1 1 1 4  6  40 o 7.485000       1.073000      307.5858      -163.4 
1 1 1 4  6  41 o 35.13000       1.344000      793.7726      145.7  
1 1 1 4  6  42 o 1.867000       1.018000      103.0877      156.9  
1 1 1 4  6  43 o 62.79000       1.758000      1050.247      15.4   
1 1 1 4  6  44 o 10.00000       1.061000      368.1906      -15.5  
1 1 1 4  6  45 o 28.88000       1.260000      867.7997      -16.8  
1 1 1 4  6  46 o 11.68000       1.100000      462.3757      50.1   
1 1 1 4  6  47 o 103.0000       2.497000      1543.693      75.4   
1 1 1 4  6  48 o 2.923000       1.227000      228.1176      1.5    
1 1 1 4  6  49 o 22.10000       1.591000      666.0162      21.1   
1 1 1 4  6  50 o 12.29000       1.246000      490.6543      107.4  
1 1 1 4  6  51 o 41.56000       1.554000      989.2777      130.9  
1 1 1 4  6  52 o 5.881000       1.177000      281.0151      1.4    
1 1 1 4  6  53 o 17.62000       1.441000      723.8760      79.7   
1 1 1 4  6  54 o 31.56000       2.040000      747.3290      42.4   
1 1 1 4  6  55 o 22.61000       1.647000      708.3692      -103.1 
1 1 1 4  6  56 o 7.905000       1.466000      340.2077      -96.0  
1 1 1 4  6  57 o 13.40000       1.427000      417.0740      95.4   
1 1 1 4  6  58 o 53.02000       2.089000      1121.563      -86.1  
1 1 1 4  6  59 o 3.275000       1.518000      177.7022      59.1   
1 1 1 4  6  60 o 6.931000       1.578000      427.0680      -31.0  
1 1 1 4  6  61 o 15.19000       1.850000      605.0198      67.1   
1 1 1 4  6  62 o 24.36000       1.846000      ?             ?      
1 1 1 4  6  63 o 11.81000       1.695000      ?             ?      
1 1 1 4  6  64 o 5.720000       1.844000      ?             ?      
1 1 1 4  6  65 o 1.114000       1.443000      ?             ?      
1 1 1 4  6  66 o 3.561000       1.421000      ?             ?      
1 1 1 4  6  67 o 1.745000       1.416000      ?             ?      
1 1 1 4  6  68 o 7.987000       1.714000      ?             ?      
1 1 1 4  6  69 o -0.1625000     2.031000      ?             ?      
1 1 1 4  6  70 o -1.018000      1.619000      ?             ?      
1 1 1 4  6  71 o 6.880000       1.471000      ?             ?      
1 1 1 4  6  72 o -0.1149000     1.415000      ?             ?      
1 1 1 4  6  73 o 5.104000       1.479000      ?             ?      
1 1 1 4  6  74 o 0.9743000      1.462000      ?             ?      
1 1 1 4  6  75 o 0.5782000      1.474000      ?             ?      
1 1 1 4  6  76 o -2.957000      1.664000      ?             ?      
1 1 1 4  7  0  o 1.056000       0.1919000     177.7032      -0.0   
1 1 1 4  7  1  o 6.523000       0.2152000     501.1197      38.0   
1 1 1 4  7  2  o 129.5000       2.445000      1829.478      -135.3 
1 1 1 4  7  3  o 12.98000       0.3514000     896.8545      -30.9  
1 1 1 4  7  4  o 39.91000       0.9005000     828.1127      -56.2  
1 1 1 4  7  5  o 17.29000       0.3877000     476.2204      -10.2  
1 1 1 4  7  6  o 16.57000       0.4461000     633.1835      -102.8 
1 1 1 4  7  7  o 197.2000       4.200000      2345.296      -48.3  
1 1 1 4  7  8  o 8.354000       0.3019000     398.7573      84.0   
1 1 1 4  7  9  o 8.901000       0.3818000     572.5601      -110.4 
1 1 1 4  7  10 o 123.9000       2.492000      1664.363      -55.4  
1 1 1 4  7  11 o 2.711000       0.3239000     127.0162      117.3  
1 1 1 4  7  12 o 34.13000       0.8102000     862.6712      45.3   
1 1 1 4  7  13 o 1.503000       0.4051000     411.4190      5.4    
1 1 1 4  7  14 o 4.081000       0.4948000     246.2962      41.0   
1 1 1 4  7  15 o 13.11000       0.6441000     597.7380      159.9  
1 1 1 4  7  16 o 13.97000       0.5498000     528.1004      158.6  
1 1 1 4  7  17 o 3.169000       0.4610000     228.0185      126.4  
1 1 1 4  7  18 o 2.835000       0.4843000     758.7186      -42.2  
1 1 1 4  7  19 o 8.163000       0.5989000     514.7012      11.1   
1 1 1 4  7  20 o 14.13000       0.8660000     383.1268      11.9   
1 1 1 4  7  21 o 34.41000       1.256000      885.1608      -36.7  
1 1 1 4  7  22 o 15.09000       0.7938000     491.6929      -55.2  
1 1 1 4  7  23 o 60.46000       1.437000      1102.390      -158.4 
1 1 1 4  7  24 o 19.74000       0.7990000     277.0015      -106.2 
1 1 1 4  7  25 o 22.41000       0.8699000     637.6203      172.8  
1 1 1 4  7  26 o 91.42000       2.055000      1277.431      29.0   
1 1 1 4  7  27 o 47.56000       1.425000      983.0673      16.6   
1 1 1 4  7  28 o 8.002000       0.9252000     584.2772      -64.7  
1 1 1 4  7  29 o 51.80000       1.571000      1123.930      -112.1 
1 1 1 4  7  30 o 30.95000       1.328000      864.5958      140.9  
1 1 1 4  7  31 o 36.40000       1.860000      934.2774      130.2  
1 1 1 4  7  32 o 151.0000       5.590000      1804.128      -15.5  
1 1 1 4  7  33 o 134.5000       3.482000      1396.603      -147.2 
1 1 1 4  7  34 o 29.09000       1.323000      625.8197      -112.2 
1 1 1 4  7  35 o 34.20000       1.387000      799.8181      -58.4  
1 1 1 4  7  36 o 65.39000       1.826000      1048.728      124.7  
1 1 1 4  7  37 o 49.32000       1.719000      1025.146      138.0  
1 1 1 4  7  38 o 17.53000       1.622000      527.8807      -137.4 
1 1 1 4  7  39 o 41.10000       1.689000      954.3314      164.2  
1 1 1 4  7  40 o 26.81000       1.252000      654.5313      -177.9 
1 1 1 4  7  41 o 34.66000       1.336000      877.8126      25.4   
1 1 1 4  7  42 o 21.14000       1.173000      603.5171      31.5   
1 1 1 4  7  43 o 9.516000       1.052000      427.6783      102.0  
1 1 1 4  7  44 o 16.56000       1.115000      581.6111      63.3   
1 1 1 4  7  45 o 5.364000       1.043000      379.0066      26.1   
1 1 1 4  7  46 o 20.60000       1.192000      615.6372      62.4   
1 1 1 4  7  47 f 20.29000       1.224000      698.7745      176.9  
1 1 1 4  7  48 o 7.838000       1.388000      398.6269      -147.9 
1 1 1 4  7  49 o 23.07000       1.439000      681.0754      -127.7 
1 1 1 4  7  50 o 4.328000       1.127000      254.7236      -143.5 
1 1 1 4  7  51 o 5.480000       1.154000      194.3955      170.2  
1 1 1 4  7  52 o 7.229000       1.195000      441.5381      118.5  
1 1 1 4  7  53 o 7.153000       1.230000      303.7655      -76.1  
1 1 1 4  7  54 o -0.6005000     1.462000      105.7689      11.8   
1 1 1 4  7  55 o 28.42000       2.040000      761.0759      -118.4 
1 1 1 4  7  56 o 5.159000       1.409000      389.8466      62.6   
1 1 1 4  7  57 o 7.943000       1.384000      363.9625      131.3  
1 1 1 4  7  58 o 3.429000       1.424000      102.8365      -69.4  
1 1 1 4  7  59 o 28.75000       1.659000      811.6476      -22.2  
1 1 1 4  7  60 o 2.639000       1.433000      312.3662      -104.7 
1 1 1 4  7  61 o 11.39000       1.569000      377.6271      -150.4 
1 1 1 4  7  62 o 4.143000       1.767000      ?             ?      
1 1 1 4  7  63 o 12.45000       1.899000      ?             ?      
1 1 1 4  7  64 o 2.092000       1.930000      ?             ?      
1 1 1 4  7  65 o 3.635000       1.532000      ?             ?      
1 1 1 4  7  66 o 11.68000       1.477000      ?             ?      
1 1 1 4  7  67 o 5.531000       1.451000      ?             ?      
1 1 1 4  7  68 o 1.137000       1.413000      ?             ?      
1 1 1 4  7  69 o 0.6093000      1.648000      ?             ?      
1 1 1 4  7  70 o -1.841000      1.626000      ?             ?      
1 1 1 4  7  71 o 9.210000       1.493000      ?             ?      
1 1 1 4  7  72 f -0.3697000     1.414000      ?             ?      
1 1 1 4  7  73 o 4.685000       1.473000      ?             ?      
1 1 1 4  7  74 o 1.409000       1.463000      ?             ?      
1 1 1 4  7  75 o 0.3697000      1.475000      ?             ?      
1 1 1 4  7  76 o 2.980000       1.719000      ?             ?      
1 1 1 4  8  0  o 78.86000       2.225000      1214.080      0.0    
1 1 1 4  8  1  o 5.357000       0.2097000     534.9303      128.4  
1 1 1 4  8  2  o 12.19000       0.2942000     829.3641      -38.8  
1 1 1 4  8  3  o 14.72000       0.4956000     806.6627      23.1   
1 1 1 4  8  4  o 39.02000       0.9598000     1136.325      16.1   
1 1 1 4  8  5  o 2.495000       0.2041000     515.9210      -33.7  
1 1 1 4  8  6  o 30.96000       0.7075000     1080.623      103.4  
1 1 1 4  8  7  o 14.65000       0.3850000     519.5288      66.9   
1 1 1 4  8  8  o 134.0000       2.679000      1627.464      35.8   
1 1 1 4  8  9  o 22.12000       0.5504000     670.1744      -76.8  
1 1 1 4  8  10 o 62.25000       1.306000      1120.755      -155.3 
1 1 1 4  8  11 o 4.768000       0.3358000     553.7906      -146.2 
1 1 1 4  8  12 o 0.2877000      0.3672000     30.06545      -112.6 
1 1 1 4  8  13 o 13.27000       0.6203000     554.4974      -53.7  
1 1 1 4  8  14 o 13.02000       0.5644000     236.2741      -59.4  
1 1 1 4  8  15 o 5.290000       0.4371000     293.3497      177.6  
1 1 1 4  8  16 o 1.340000       0.4341000     166.8226      -54.3  
1 1 1 4  8  17 o 1.700000       0.4618000     196.7590      -142.8 
1 1 1 4  8  18 f 3.088000       0.4903000     330.0499      176.0  
1 1 1 4  8  19 o 7.566000       0.5487000     425.3511      54.2   
1 1 1 4  8  20 o 5.899000       0.6167000     160.3245      -123.1 
1 1 1 4  8  21 o 3.493000       0.8590000     379.6830      -94.4  
1 1 1 4  8  22 o 24.15000       0.9001000     537.4422      -38.8  
1 1 1 4  8  23 o 34.51000       0.9971000     673.9781      138.0  
1 1 1 4  8  24 o 19.04000       0.8616000     546.6068      81.8   
1 1 1 4  8  25 o 55.52000       1.527000      1075.610      -118.6 
1 1 1 4  8  26 o 8.484000       0.8470000     196.9400      -177.5 
1 1 1 4  8  27 o 3.555000       1.042000      165.3361      -58.4  
1 1 1 4  8  28 o 332.8000       7.239000      2362.382      49.9   
1 1 1 4  8  29 o 103.2000       2.540000      1491.884      -8.8   
1 1 1 4  8  30 o 34.36000       1.587000      488.9683      -149.1 
1 1 1 4  8  31 o 37.79000       1.782000      786.2322      -124.1 
1 1 1 4  8  32 o 37.73000       1.574000      719.8204      98.2   
1 1 1 4  8  33 o 20.72000       1.211000      1034.773      42.9   
1 1 1 4  8  34 o 8.005000       1.131000      542.0982      15.9   
1 1 1 4  8  35 o 102.2000       2.431000      1483.550      -41.0  
1 1 1 4  8  36 o 88.81000       2.371000      1169.570      -124.7 
1 1 1 4  8  37 o 13.53000       1.244000      585.8143      106.5  
1 1 1 4  8  38 o 14.63000       1.356000      353.8542      80.8   
1 1 1 4  8  39 o 11.94000       1.673000      332.0331      -147.2 
1 1 1 4  8  40 o 11.69000       1.194000      506.8743      97.7   
1 1 1 4  8  41 o 3.758000       1.032000      237.8231      -71.8  
1 1 1 4  8  42 o 56.72000       1.663000      1016.566      71.0   
1 1 1 4  8  43 o 5.066000       1.025000      428.0728      -3.5   
1 1 1 4  8  44 o 2.483000       1.025000      125.4303      170.7  
1 1 1 4  8  45 o 28.17000       1.274000      672.4865      66.3   
1 1 1 4  8  46 o 2.917000       1.032000      187.2651      63.7   
1 1 1 4  8  47 o 6.172000       1.206000      121.2499      -47.6  
1 1 1 4  8  48 o 35.36000       1.875000      795.4861      -89.2  
1 1 1 4  8  49 o 43.42000       1.663000      916.7079      110.5  
1 1 1 4  8  50 o 2.153000       1.116000      189.5138      -63.6  
1 1 1 4  8  51 o 2.665000       1.144000      232.7274      30.2   
1 1 1 4  8  52 o 4.885000       1.193000      227.5793      84.2   
1 1 1 4  8  53 o 7.406000       1.246000      529.2073      139.4  
1 1 1 4  8  54 o 15.71000       1.462000      587.4453      -5.0   
1 1 1 4  8  55 o 10.99000       1.848000      350.5421      -77.2  
1 1 1 4  8  56 o 9.758000       1.570000      464.5605      -23.0  
1 1 1 4  8  57 o 12.68000       1.447000      513.8576      -156.0 
1 1 1 4  8  58 o 8.371000       1.452000      391.6872      -105.8 
1 1 1 4  8  59 o 20.50000       1.581000      586.6725      22.8   
1 1 1 4  8  60 o 17.91000       1.569000      607.3481      39.2   
1 1 1 4  8  61 o 2.629000       1.427000      189.6349      18.8   
1 1 1 4  8  62 o 9.988000       1.666000      ?             ?      
1 1 1 4  8  63 o 0.2880000      1.749000      ?             ?      
1 1 1 4  8  64 o 5.384000       1.616000      ?             ?      
1 1 1 4  8  65 o 3.514000       1.692000      ?             ?      
1 1 1 4  8  66 o 1.094000       1.493000      ?             ?      
1 1 1 4  8  67 o 1.062000       1.504000      ?             ?      
1 1 1 4  8  68 o 1.605000       1.493000      ?             ?      
1 1 1 4  8  69 o -0.3186000     1.655000      ?             ?      
1 1 1 4  8  70 o 0.8791000      1.873000      ?             ?      
1 1 1 4  8  71 o 1.987000       1.563000      ?             ?      
1 1 1 4  8  72 o 4.784000       1.455000      ?             ?      
1 1 1 4  8  73 o 2.209000       1.452000      ?             ?      
1 1 1 4  8  74 o 2.950000       1.469000      ?             ?      
1 1 1 4  8  75 f 2.743000       1.695000      ?             ?      
1 1 1 4  8  76 o -3.953000      2.887000      ?             ?      
1 1 1 4  9  0  o 0.8035000      0.2382000     61.69373      180.0  
1 1 1 4  9  1  o 18.04000       0.4160000     673.4192      93.7   
1 1 1 4  9  2  o 0.7628000      0.1526000     ?             ?      
1 1 1 4  9  3  o 11.46000       0.3248000     793.8370      -20.2  
1 1 1 4  9  4  o 10.31000       0.3380000     520.1710      175.1  
1 1 1 4  9  5  o 5.187000       0.2811000     361.7807      38.8   
1 1 1 4  9  6  o 1.371000       0.1677000     206.8227      27.4   
1 1 1 4  9  7  o 14.09000       0.3573000     536.8919      -103.8 
1 1 1 4  9  8  o 2.664000       0.2328000     357.4751      86.0   
1 1 1 4  9  9  o 10.46000       0.3519000     517.4225      -144.2 
1 1 1 4  9  10 o 10.03000       0.3737000     544.7886      129.7  
1 1 1 4  9  11 o 9.988000       0.3995000     553.3341      29.4   
1 1 1 4  9  12 o 3.814000       0.3846000     200.1529      4.9    
1 1 1 4  9  13 o 2.527000       0.4386000     101.6573      -41.5  
1 1 1 4  9  14 o 4.989000       0.4365000     316.2680      -102.0 
1 1 1 4  9  15 o 1.213000       0.4097000     388.7896      -156.2 
1 1 1 4  9  16 o 1.213000       0.4371000     241.7330      -51.2  
1 1 1 4  9  17 o 3.151000       0.4728000     164.8575      99.9   
1 1 1 4  9  18 o 15.07000       0.6556000     317.5611      100.3  
1 1 1 4  9  19 o 11.42000       0.5883000     429.8136      75.9   
1 1 1 4  9  20 o 2.406000       0.5840000     232.4745      76.4   
1 1 1 4  9  21 o 8.665000       0.8381000     361.9535      -108.6 
1 1 1 4  9  22 o 19.80000       1.132000      517.2000      9.7    
1 1 1 4  9  23 o 29.29000       1.253000      574.3867      -115.5 
1 1 1 4  9  24 o 12.20000       0.8078000     183.9076      -8.2   
1 1 1 4  9  25 o 87.65000       2.154000      1324.137      162.2  
1 1 1 4  9  26 o 14.96000       1.017000      653.3046      -8.5   
1 1 1 4  9  27 o 26.82000       1.195000      593.9371      -152.2 
1 1 1 4  9  28 o 47.15000       1.475000      683.8319      7.4    
1 1 1 4  9  29 o 24.95000       1.197000      633.4326      168.3  
1 1 1 4  9  30 o 53.09000       1.731000      915.2443      145.7  
1 1 1 4  9  31 o 36.01000       1.742000      753.8451      51.8   
1 1 1 4  9  32 o 29.55000       1.347000      554.2884      -33.7  
1 1 1 4  9  33 o 37.01000       1.404000      603.2572      72.8   
1 1 1 4  9  34 o 19.88000       1.207000      712.2039      -95.4  
1 1 1 4  9  35 o 8.956000       1.104000      415.7725      -16.0  
1 1 1 4  9  36 o 90.05000       2.228000      938.5844      78.1   
1 1 1 4  9  37 o 10.12000       1.092000      424.3022      -117.8 
1 1 1 4  9  38 o 8.852000       1.176000      265.0128      -123.1 
1 1 1 4  9  39 o 28.55000       1.759000      737.0687      160.8  
1 1 1 4  9  40 o 5.839000       1.253000      404.8757      -178.9 
1 1 1 4  9  41 o 4.555000       1.042000      148.2168      3.7    
1 1 1 4  9  42 o 5.971000       1.050000      328.5012      102.6  
1 1 1 4  9  43 o 6.895000       1.138000      353.5737      169.9  
1 1 1 4  9  44 o 28.08000       1.273000      902.6834      59.0   
1 1 1 4  9  45 o 11.24000       1.085000      393.5123      -29.7  
1 1 1 4  9  46 o 2.874000       1.046000      257.6208      -160.3 
1 1 1 4  9  47 f 7.215000       1.224000      160.6790      -157.1 
1 1 1 4  9  48 o 2.787000       1.211000      170.1236      -37.2  
1 1 1 4  9  49 o 2.352000       1.092000      193.6220      -70.9  
1 1 1 4  9  50 o 15.11000       1.215000      528.1180      -176.0 
1 1 1 4  9  51 o 4.805000       1.161000      243.8493      33.4   
1 1 1 4  9  52 o 8.040000       1.244000      437.2413      22.1   
1 1 1 4  9  53 o 4.550000       1.222000      167.0426      -109.9 
1 1 1 4  9  54 o 3.725000       1.238000      223.7550      164.5  
1 1 1 4  9  55 o 0.8929000      1.545000      153.4209      -163.0 
1 1 1 4  9  56 o 21.48000       2.014000      621.4866      81.3   
1 1 1 4  9  57 o 0.7616000      1.478000      247.9277      -48.6  
1 1 1 4  9  58 o 11.22000       1.471000      433.4352      -45.3  
1 1 1 4  9  59 o 3.535000       1.447000      204.8594      22.9   
1 1 1 4  9  60 o 7.069000       1.482000      347.1399      128.2  
1 1 1 4  9  61 o -0.4908000     1.427000      168.4755      -139.8 
1 1 1 4  9  62 o 8.023000       1.686000      ?             ?      
1 1 1 4  9  63 o 5.906000       1.618000      ?             ?      
1 1 1 4  9  64 o 8.603000       1.458000      ?             ?      
1 1 1 4  9  65 o 2.486000       1.504000      ?             ?      
1 1 1 4  9  66 o -0.4571000     1.489000      ?             ?      
1 1 1 4  9  67 o 0.7484000      1.508000      ?             ?      
1 1 1 4  9  68 o -0.3778000     1.632000      ?             ?      
1 1 1 4  9  69 o 2.680000       1.629000      ?             ?      
1 1 1 4  9  70 o 4.160000       2.422000      ?             ?      
1 1 1 4  9  71 o 3.338000       1.688000      ?             ?      
1 1 1 4  9  72 o 1.315000       1.453000      ?             ?      
1 1 1 4  9  73 o 2.654000       1.448000      ?             ?      
1 1 1 4  9  74 o 1.758000       1.477000      ?             ?      
1 1 1 4  9  75 o 0.6031000      1.672000      ?             ?      
1 1 1 4  9  76 o -2.096000      2.423000      ?             ?      
1 1 1 4  10 0  o 0.8071000      0.2670000     31.00441      0.0    
1 1 1 4  10 1  o 0.1818000E-01  0.1811000     214.6911      53.0   
1 1 1 4  10 2  o 0.5174000      0.1697000     121.1035      103.7  
1 1 1 4  10 3  f 2.578000       0.1768000     157.5326      -51.0  
1 1 1 4  10 4  o 2.810000       0.2007000     24.30636      -105.2 
1 1 1 4  10 5  o 1.617000       0.1963000     161.0505      170.3  
1 1 1 4  10 6  o 6.480000       0.2996000     247.6235      52.0   
1 1 1 4  10 7  o 1.752000       0.1793000     73.10106      36.4   
1 1 1 4  10 8  o 1.004000       0.2043000     106.9950      -8.3   
1 1 1 4  10 9  o 2.457000       0.2441000     361.4854      -70.1  
1 1 1 4  10 10 o 1.824000       0.2738000     147.8679      -160.0 
1 1 1 4  10 11 o 2.434000       0.3208000     259.3956      -86.0  
1 1 1 4  10 12 o 0.3453000      0.6104000     199.8249      -152.1 
1 1 1 4  10 13 o 2.982000       0.4165000     368.9198      -168.8 
1 1 1 4  10 14 o 2.689000       0.3981000     148.0832      -96.3  
1 1 1 4  10 15 o 2.181000       0.4219000     363.6420      63.9   
1 1 1 4  10 16 o 2.189000       0.4477000     117.7450      73.1   
1 1 1 4  10 17 o 0.6405000      0.4670000     18.30748      30.0   
1 1 1 4  10 18 o 1.955000       0.5016000     209.1812      56.5   
1 1 1 4  10 19 o 1.387000       0.5671000     133.6638      81.9   
1 1 1 4  10 20 o 28.83000       1.807000      510.3992      161.7  
1 1 1 4  10 21 o 6.609000       0.8124000     185.0181      -26.9  
1 1 1 4  10 22 o 12.79000       0.9728000     404.1246      -94.0  
1 1 1 4  10 23 o 9.961000       0.8555000     256.4587      99.0   
1 1 1 4  10 24 o 11.20000       0.8147000     393.2803      3.6    
1 1 1 4  10 25 o 20.87000       1.043000      491.0981      -173.7 
1 1 1 4  10 26 o 35.76000       1.238000      596.0957      -135.5 
1 1 1 4  10 27 o 22.28000       1.103000      272.0561      -28.8  
1 1 1 4  10 28 o 17.12000       1.078000      519.7560      114.6  
1 1 1 4  10 29 o 12.36000       1.160000      220.5263      94.1   
1 1 1 4  10 30 o 17.79000       1.378000      405.4677      -131.9 
1 1 1 4  10 31 o 9.841000       1.176000      426.3240      143.8  
1 1 1 4  10 32 o 21.08000       1.311000      358.3054      -33.3  
1 1 1 4  10 33 o 24.30000       1.249000      863.6537      28.6   
1 1 1 4  10 34 o 1.373000       1.045000      270.9668      126.3  
1 1 1 4  10 35 o 48.04000       1.565000      711.5734      -39.7  
1 1 1 4  10 36 o 2.128000       1.056000      130.3693      33.7   
1 1 1 4  10 37 o 3.991000       1.037000      212.5289      141.0  
1 1 1 4  10 38 o 8.347000       1.078000      186.2792      -133.3 
1 1 1 4  10 39 o 7.401000       1.295000      219.3794      -90.2  
1 1 1 4  10 40 o 8.727000       1.514000      106.0228      -118.9 
1 1 1 4  10 41 o 11.67000       1.185000      270.1689      -19.3  
1 1 1 4  10 42 o 9.156000       1.057000      500.6487      -24.8  
1 1 1 4  10 43 o 1.368000       1.012000      144.3310      142.2  
1 1 1 4  10 44 o 2.909000       1.033000      199.1885      -125.1 
1 1 1 4  10 45 o 3.517000       1.052000      302.7877      -179.1 
1 1 1 4  10 46 o 4.001000       1.184000      83.77140      85.4   
1 1 1 4  10 47 o 4.192000       1.380000      137.5730      113.1  
1 1 1 4  10 48 o 5.191000       1.225000      146.2644      158.8  
1 1 1 4  10 49 o 3.703000       1.102000      261.3257      66.5   
1 1 1 4  10 50 o 3.033000       1.127000      186.6499      36.2   
1 1 1 4  10 51 o 3.244000       1.160000      377.3100      -42.6  
1 1 1 4  10 52 o 14.41000       1.300000      448.0837      145.7  
1 1 1 4  10 53 o 5.564000       1.252000      164.1311      64.4   
1 1 1 4  10 54 o 6.029000       1.257000      311.6030      -1.4   
1 1 1 4  10 55 o 2.610000       1.419000      194.6858      -36.0  
1 1 1 4  10 56 o 0.3992000      1.874000      15.62631      -34.2  
1 1 1 4  10 57 o 3.189000       1.616000      192.7019      -169.6 
1 1 1 4  10 58 o 6.659000       1.456000      262.7696      57.7   
1 1 1 4  10 59 o 4.847000       1.438000      281.8921      76.7   
1 1 1 4  10 60 o 3.725000       1.445000      231.9296      119.8  
1 1 1 4  10 61 o 4.067000       1.630000      ?             ?      
1 1 1 4  10 62 o 6.905000       1.975000      ?             ?      
1 1 1 4  10 63 o 4.642000       1.616000      ?             ?      
1 1 1 4  10 64 o 1.001000       1.404000      ?             ?      
1 1 1 4  10 65 o 2.211000       1.397000      ?             ?      
1 1 1 4  10 66 o 1.316000       1.399000      ?             ?      
1 1 1 4  10 67 o 0.3316000      1.474000      ?             ?      
1 1 1 4  10 68 o 0.9262000      1.470000      ?             ?      
1 1 1 4  10 69 o 1.577000       1.509000      ?             ?      
1 1 1 4  10 70 o 0.2647000      2.283000      ?             ?      
1 1 1 4  10 71 o 3.585000       2.553000      ?             ?      
1 1 1 4  10 72 o 6.592000       1.901000      ?             ?      
1 1 1 4  10 73 o -0.2456000     1.440000      ?             ?      
1 1 1 4  10 74 o 0.4139000      1.573000      ?             ?      
1 1 1 4  10 75 o 2.556000       1.874000      ?             ?      
1 1 1 4  10 76 o -0.2403000     2.417000      ?             ?      
1 1 1 4  11 0  o 0.6850000      0.2965000     67.34231      0.0    
1 1 1 4  11 1  o 0.9822000      0.2072000     98.01391      -75.4  
1 1 1 4  11 2  o 1.097000       0.1960000     190.7099      -167.6 
1 1 1 4  11 3  o 0.2276000      0.1747000     220.1564      -107.3 
1 1 1 4  11 4  o 0.3666000      0.1714000     181.9492      -102.9 
1 1 1 4  11 5  o 0.4226000E-01  0.1914000     222.9342      15.3   
1 1 1 4  11 6  o 0.2995000      0.2025000     187.9766      -170.1 
1 1 1 4  11 7  o 1.363000       0.1969000     205.6952      43.0   
1 1 1 4  11 8  o 0.9130000      0.2049000     139.6307      27.2   
1 1 1 4  11 9  o 0.1363000      0.2323000     187.5442      -169.1 
1 1 1 4  11 10 o 0.7232000      0.2694000     83.51054      16.2   
1 1 1 4  11 11 o 1.012000       0.3200000     52.41939      -111.1 
1 1 1 4  11 12 o 1.205000       0.3828000     118.5824      -57.8  
1 1 1 4  11 13 o 0.6413000      0.4396000     142.6106      108.5  
1 1 1 4  11 14 o 1.701000       0.3944000     179.9789      -161.3 
1 1 1 4  11 15 o 1.206000       0.4223000     325.5400      -157.9 
1 1 1 4  11 16 o 2.136000       0.4512000     118.5008      100.2  
1 1 1 4  11 17 o 2.947000       0.5975000     478.3004      18.6   
1 1 1 4  11 18 o -0.1895000     0.5829000     122.6015      43.6   
1 1 1 4  11 19 o 4.787000       0.6593000     155.8285      -114.9 
1 1 1 4  11 20 o 1.026000       0.6287000     180.9614      -117.8 
1 1 1 4  11 21 o 25.53000       1.221000      318.9582      -34.5  
1 1 1 4  11 22 o 35.41000       2.068000      355.1337      105.0  
1 1 1 4  11 23 o 19.10000       1.759000      377.2266      23.6   
1 1 1 4  11 24 o 7.172000       0.7995000     350.3088      -146.4 
1 1 1 4  11 25 o 47.76000       1.862000      244.0246      169.2  
1 1 1 4  11 26 o 17.26000       1.307000      176.8206      117.9  
1 1 1 4  11 27 o 14.12000       0.9121000     249.5734      11.6   
1 1 1 4  11 28 o 4.609000       0.8817000     252.7715      -146.0 
1 1 1 4  11 29 o 10.01000       1.075000      433.4825      -172.3 
1 1 1 4  11 30 o 12.87000       1.346000      370.4155      -145.7 
1 1 1 4  11 31 o 12.09000       1.386000      198.7632      -55.1  
1 1 1 4  11 32 o 36.98000       1.515000      532.0831      15.2   
1 1 1 4  11 33 o 29.19000       1.530000      533.1370      159.6  
1 1 1 4  11 34 o 18.34000       1.154000      343.7708      159.0  
1 1 1 4  11 35 o 7.147000       1.080000      199.2021      7.6    
1 1 1 4  11 36 o 18.78000       1.168000      529.3768      170.4  
1 1 1 4  11 37 o 8.978000       1.067000      154.9104      167.0  
1 1 1 4  11 38 o 30.11000       1.299000      555.1829      -63.7  
1 1 1 4  11 39 o 7.000000       1.159000      384.9087      -101.4 
1 1 1 4  11 40 o 3.199000       1.472000      238.3510      113.3  
1 1 1 4  11 41 o 1.920000       1.217000      229.3117      62.4   
1 1 1 4  11 42 o 3.140000       1.036000      274.6406      -132.6 
1 1 1 4  11 43 o 5.847000       1.021000      140.1572      -122.0 
1 1 1 4  11 44 o 10.20000       1.086000      266.9154      -41.7  
1 1 1 4  11 45 o 17.64000       1.200000      364.0753      -7.5   
1 1 1 4  11 46 o 2.910000       1.199000      163.6295      -90.8  
1 1 1 4  11 47 o 1.727000       1.203000      160.7820      -117.3 
1 1 1 4  11 48 o 2.274000       1.099000      182.6178      -39.4  
1 1 1 4  11 49 o 2.178000       1.101000      147.7533      142.2  
1 1 1 4  11 50 o 7.035000       1.156000      217.2103      92.6   
1 1 1 4  11 51 o 3.930000       1.169000      162.2352      20.1   
1 1 1 4  11 52 o 6.530000       1.239000      244.6541      108.2  
1 1 1 4  11 53 o 5.454000       1.242000      424.8176      -113.4 
1 1 1 4  11 54 o 17.48000       1.373000      398.6528      156.6  
1 1 1 4  11 55 o 0.8959000      1.279000      145.2439      112.5  
1 1 1 4  11 56 o 4.512000       1.649000      180.5935      -92.6  
1 1 1 4  11 57 o 3.287000       1.912000      253.8439      -99.2  
1 1 1 4  11 58 o 3.709000       1.510000      222.6474      -64.7  
1 1 1 4  11 59 o 4.215000       1.431000      215.7332      76.8   
1 1 1 4  11 60 o 4.915000       1.469000      131.8965      176.2  
1 1 1 4  11 61 o 2.849000       1.633000      ?             ?      
1 1 1 4  11 62 o 4.541000       1.634000      ?             ?      
1 1 1 4  11 63 o 0.2555000      1.390000      ?             ?      
1 1 1 4  11 64 o 1.197000       1.391000      ?             ?      
1 1 1 4  11 65 o 2.252000       1.396000      ?             ?      
1 1 1 4  11 66 o 1.493000       1.391000      ?             ?      
1 1 1 4  11 67 o 1.157000       1.385000      ?             ?      
1 1 1 4  11 68 o 3.153000       1.378000      ?             ?      
1 1 1 4  11 69 o 1.215000       1.378000      ?             ?      
1 1 1 4  11 70 o 2.533000       1.638000      ?             ?      
1 1 1 4  11 71 o 1.891000       2.580000      ?             ?      
1 1 1 4  11 72 o 1.886000       2.270000      ?             ?      
1 1 1 4  11 73 o 1.183000       1.677000      ?             ?      
1 1 1 4  11 74 o -0.3363000     1.663000      ?             ?      
1 1 1 4  11 75 o 2.863000       1.891000      ?             ?      
1 1 1 4  11 76 o -0.3653000     1.501000      ?             ?      
1 1 1 4  12 0  o 7.492000       0.4171000     309.9866      0.0    
1 1 1 4  12 1  o 0.2917000      0.2283000     231.4846      61.6   
1 1 1 4  12 2  o 2.420000       0.2275000     194.8130      5.7    
1 1 1 4  12 3  o 1.004000       0.1925000     178.7780      -29.9  
1 1 1 4  12 4  o 1.331000       0.1926000     194.8750      144.9  
1 1 1 4  12 5  o 3.186000       0.2965000     297.3688      29.9   
1 1 1 4  12 6  o 1.574000       0.2193000     247.3385      106.7  
1 1 1 4  12 7  o 10.79000       0.4426000     638.9489      80.9   
1 1 1 4  12 8  o 1.184000       0.2108000     355.9623      -136.5 
1 1 1 4  12 9  o 0.6416000      0.2169000     207.5224      126.9  
1 1 1 4  12 10 o 0.2096000      0.2629000     71.14478      90.3   
1 1 1 4  12 11 o 2.281000       0.3479000     387.3542      37.1   
1 1 1 4  12 12 o 3.015000       0.3632000     213.5107      37.4   
1 1 1 4  12 13 o 5.283000       0.3984000     251.6508      179.6  
1 1 1 4  12 14 o 5.020000       0.4738000     145.1248      -34.2  
1 1 1 4  12 15 o 9.560000       0.6372000     274.0960      -40.4  
1 1 1 4  12 16 o 2.670000       0.5108000     90.99522      -64.0  
1 1 1 4  12 17 o 15.43000       0.8846000     277.6695      -70.3  
1 1 1 4  12 18 o -0.4325000     0.5783000     27.22534      -8.2   
1 1 1 4  12 19 o 3.537000       0.6083000     270.5180      -167.6 
1 1 1 4  12 20 o 15.33000       0.9237000     487.9750      3.6    
1 1 1 4  12 21 o 21.00000       1.066000      492.4849      -137.4 
1 1 1 4  12 22 o 10.93000       1.006000      342.1970      -129.9 
1 1 1 4  12 23 o 3.283000       0.9430000     250.6862      -53.6  
1 1 1 4  12 24 o 16.05000       1.085000      174.1412      111.9  
1 1 1 4  12 25 o 13.78000       0.9681000     104.6081      -158.1 
1 1 1 4  12 26 o 8.570000       0.8396000     320.1235      -65.5  
1 1 1 4  12 27 o 6.668000       0.8658000     316.4865      54.2   
1 1 1 4  12 28 o 23.80000       1.539000      546.9387      31.7   
1 1 1 4  12 29 o 5.984000       1.237000      103.7651      45.9   
1 1 1 4  12 30 o 11.07000       1.183000      559.6289      175.1  
1 1 1 4  12 31 o 15.49000       1.112000      337.8442      -169.7 
1 1 1 4  12 32 o 11.10000       1.109000      351.1301      -125.7 
1 1 1 4  12 33 o 16.42000       1.125000      623.7765      -166.3 
1 1 1 4  12 34 o 16.31000       1.128000      175.8260      84.4   
1 1 1 4  12 35 o 11.50000       1.107000      507.8188      -122.5 
1 1 1 4  12 36 o 12.89000       1.105000      377.3788      119.2  
1 1 1 4  12 37 o 14.92000       1.114000      330.1518      -1.4   
1 1 1 4  12 38 o 11.03000       1.076000      343.0786      -72.8  
1 1 1 4  12 39 o 6.218000       1.040000      256.3676      -83.6  
1 1 1 4  12 40 o 7.757000       1.273000      349.0976      54.1   
1 1 1 4  12 41 o -0.8128000E-03 1.442000      127.9829      -85.5  
1 1 1 4  12 42 o 16.71000       1.233000      414.7237      -154.6 
1 1 1 4  12 43 o 5.983000       1.033000      224.9848      -143.7 
1 1 1 4  12 44 o 10.45000       1.093000      352.8845      164.8  
1 1 1 4  12 45 o 5.436000       1.187000      293.3253      -59.4  
1 1 1 4  12 46 o 12.54000       1.482000      328.6725      113.7  
1 1 1 4  12 47 o 10.29000       1.266000      372.7922      108.0  
1 1 1 4  12 48 o 7.046000       1.125000      359.2712      87.2   
1 1 1 4  12 49 o 2.638000       1.111000      146.3142      93.6   
1 1 1 4  12 50 o 2.501000       1.129000      175.1794      103.6  
1 1 1 4  12 51 o 4.999000       1.184000      237.5151      -25.3  
1 1 1 4  12 52 o 19.79000       1.374000      524.3542      -113.9 
1 1 1 4  12 53 o 3.197000       1.228000      135.3575      -34.3  
1 1 1 4  12 54 o 17.42000       1.375000      555.9578      -40.7  
1 1 1 4  12 55 o 1.100000       1.286000      205.2169      -29.1  
1 1 1 4  12 56 o 11.51000       1.567000      342.4859      -91.7  
1 1 1 4  12 57 o 11.69000       2.015000      344.6526      -58.3  
1 1 1 4  12 58 o 1.360000       1.617000      150.3502      11.7   
1 1 1 4  12 59 o 2.509000       1.429000      139.9033      131.9  
1 1 1 4  12 60 o 20.74000       1.820000      566.6694      -117.9 
1 1 1 4  12 61 o 2.653000       1.932000      ?             ?      
1 1 1 4  12 62 o 0.7326000      1.588000      ?             ?      
1 1 1 4  12 63 o 6.022000       1.412000      ?             ?      
1 1 1 4  12 64 o 1.838000       1.383000      ?             ?      
1 1 1 4  12 65 o 7.103000       1.410000      ?             ?      
1 1 1 4  12 66 o 4.242000       1.403000      ?             ?      
1 1 1 4  12 67 o 1.445000       1.382000      ?             ?      
1 1 1 4  12 68 o 3.516000       1.391000      ?             ?      
1 1 1 4  12 69 o 0.3182000      1.379000      ?             ?      
1 1 1 4  12 70 o -1.684000      1.399000      ?             ?      
1 1 1 4  12 71 o 0.7489000      1.668000      ?             ?      
1 1 1 4  12 72 o 0.2418000      2.490000      ?             ?      
1 1 1 4  12 73 o 0.5631000      1.671000      ?             ?      
1 1 1 4  12 74 o 2.113000       1.857000      ?             ?      
1 1 1 4  12 75 o -1.618000      1.986000      ?             ?      
1 1 1 4  13 0  o 1.087000       0.3587000     462.7829      -0.0   
1 1 1 4  13 1  o 0.8308000      0.2470000     197.6526      -24.7  
1 1 1 4  13 2  o 22.26000       0.5901000     791.2198      -127.6 
1 1 1 4  13 3  o 7.373000       0.2815000     315.3773      -109.8 
1 1 1 4  13 4  o 3.538000       0.2440000     177.6828      -18.5  
1 1 1 4  13 5  o 3.921000       0.2360000     250.9652      -151.3 
1 1 1 4  13 6  o 29.95000       0.8978000     798.5912      135.8  
1 1 1 4  13 7  o 11.30000       0.4130000     484.4954      -87.6  
1 1 1 4  13 8  o 4.778000       0.2482000     262.0316      -122.3 
1 1 1 4  13 9  o 5.861000       0.2941000     192.9811      167.2  
1 1 1 4  13 10 o 2.105000       0.3641000     201.9501      135.9  
1 1 1 4  13 11 o 11.25000       0.5416000     810.6110      -147.5 
1 1 1 4  13 12 o 12.70000       0.5947000     618.9714      -12.0  
1 1 1 4  13 13 o 3.559000       0.4175000     244.7175      75.2   
1 1 1 4  13 14 o 1.343000       0.4436000     330.1499      -145.6 
1 1 1 4  13 15 o 22.51000       0.7602000     502.4738      145.0  
1 1 1 4  13 16 o 18.44000       0.7761000     615.1267      74.2   
1 1 1 4  13 17 o 75.65000       1.942000      1154.331      140.5  
1 1 1 4  13 18 o 2.202000       0.5516000     139.7651      164.7  
1 1 1 4  13 19 o 9.005000       0.7454000     516.6595      -172.6 
1 1 1 4  13 20 o 5.636000       0.5978000     377.8925      5.3    
1 1 1 4  13 21 o 73.85000       1.829000      1271.839      67.1   
1 1 1 4  13 22 o 11.59000       0.8853000     679.3972      -160.8 
1 1 1 4  13 23 o 3.028000       0.9900000     244.0259      73.0   
1 1 1 4  13 24 o 15.89000       1.218000      561.6766      46.5   
1 1 1 4  13 25 o 92.04000       2.607000      976.9823      80.1   
1 1 1 4  13 26 o 35.09000       1.240000      618.9367      139.2  
1 1 1 4  13 27 o 82.56000       2.519000      1020.814      89.9   
1 1 1 4  13 28 o 47.18000       1.823000      973.5236      -10.6  
1 1 1 4  13 29 o 5.570000       1.258000      227.7335      -145.0 
1 1 1 4  13 30 o 22.12000       1.315000      390.2813      88.3   
1 1 1 4  13 31 o 17.30000       1.143000      746.1436      177.0  
1 1 1 4  13 32 o 25.37000       1.231000      515.9193      -161.4 
1 1 1 4  13 33 o 6.533000       1.053000      354.4496      -178.5 
1 1 1 4  13 34 o 31.36000       1.447000      677.5717      -142.7 
1 1 1 4  13 35 o 7.789000       1.066000      426.1416      -148.5 
1 1 1 4  13 36 o 8.487000       1.072000      457.0554      -78.5  
1 1 1 4  13 37 o 15.29000       1.221000      328.5548      -19.8  
1 1 1 4  13 38 o 13.76000       1.084000      779.4429      -31.3  
1 1 1 4  13 39 o 7.012000       1.038000      338.8303      -115.9 
1 1 1 4  13 40 o 12.28000       1.310000      336.1277      -54.9  
1 1 1 4  13 41 o 8.547000       1.527000      396.1449      -26.0  
1 1 1 4  13 42 o 5.555000       1.248000      279.1925      -110.3 
1 1 1 4  13 43 o 1.057000       1.035000      92.13325      77.8   
1 1 1 4  13 44 o 14.44000       1.137000      455.6056      49.2   
1 1 1 4  13 45 o 36.73000       1.763000      690.6827      -143.4 
1 1 1 4  13 46 o 5.453000       1.229000      183.8348      20.6   
1 1 1 4  13 47 o 3.241000       1.082000      198.0714      -91.3  
1 1 1 4  13 48 o 20.10000       1.245000      543.7181      -170.2 
1 1 1 4  13 49 o 5.538000       1.124000      342.6707      -109.4 
1 1 1 4  13 50 o 6.046000       1.157000      351.8779      -21.9  
1 1 1 4  13 51 o 11.79000       1.231000      457.9357      -76.2  
1 1 1 4  13 52 o 3.559000       1.222000      242.0849      135.7  
1 1 1 4  13 53 o 7.228000       1.260000      375.9044      -25.0  
1 1 1 4  13 54 o 5.930000       1.287000      174.6769      142.2  
1 1 1 4  13 55 o 13.47000       1.377000      473.5947      -28.3  
1 1 1 4  13 56 o 5.182000       1.368000      316.5041      12.2   
1 1 1 4  13 57 o -0.5026000     1.903000      96.54063      -11.2  
1 1 1 4  13 58 o -1.335000      1.884000      217.4094      8.6    
1 1 1 4  13 59 o 16.03000       1.554000      574.2804      -2.0   
1 1 1 4  13 60 o 3.674000       1.647000      177.8886      -32.6  
1 1 1 4  13 61 o 3.111000       1.620000      ?             ?      
1 1 1 4  13 62 o 0.6244000      1.390000      ?             ?      
1 1 1 4  13 63 o 2.757000       1.383000      ?             ?      
1 1 1 4  13 64 o -0.5503000     1.367000      ?             ?      
1 1 1 4  13 65 o -0.9729000     1.356000      ?             ?      
1 1 1 4  13 66 o 3.510000       1.400000      ?             ?      
1 1 1 4  13 67 o 3.080000       1.386000      ?             ?      
1 1 1 4  13 68 o -0.6590000     1.369000      ?             ?      
1 1 1 4  13 69 o 2.089000       1.397000      ?             ?      
1 1 1 4  13 70 o 0.7988000      1.388000      ?             ?      
1 1 1 4  13 71 o 1.252000       1.558000      ?             ?      
1 1 1 4  13 72 o -0.8709000     1.916000      ?             ?      
1 1 1 4  13 73 o 1.993000       2.024000      ?             ?      
1 1 1 4  13 74 o 1.529000       2.350000      ?             ?      
1 1 1 4  13 75 o 1.948000       1.690000      ?             ?      
1 1 1 4  14 0  o 54.82000       1.620000      1251.646      -0.0   
1 1 1 4  14 1  o 22.19000       0.5507000     932.3407      -35.9  
1 1 1 4  14 2  o 21.26000       0.5326000     532.7396      135.2  
1 1 1 4  14 3  o 7.854000       0.3096000     524.1519      -36.3  
1 1 1 4  14 4  o 0.5425000      0.2199000     401.7856      166.8  
1 1 1 4  14 5  o 32.78000       0.7429000     983.5838      53.1   
1 1 1 4  14 6  o 11.77000       0.5208000     462.9035      -148.2 
1 1 1 4  14 7  o 11.71000       0.4261000     332.2636      -103.7 
1 1 1 4  14 8  o 2.804000       0.3112000     276.5791      -14.2  
1 1 1 4  14 9  o 38.05000       1.365000      796.9524      -171.7 
1 1 1 4  14 10 o 67.49000       2.851000      930.2068      51.2   
1 1 1 4  14 11 o 1.606000       0.3634000     205.7218      98.9   
1 1 1 4  14 12 o 7.059000       0.4515000     611.8878      -62.4  
1 1 1 4  14 13 o 32.17000       0.9653000     849.1826      -96.4  
1 1 1 4  14 14 o 7.153000       0.4944000     482.9033      -54.8  
1 1 1 4  14 15 o 12.74000       0.5427000     327.9564      -155.1 
1 1 1 4  14 16 o 79.27000       1.707000      1243.661      -130.2 
1 1 1 4  14 17 o 99.10000       2.269000      1690.317      -140.5 
1 1 1 4  14 18 o 17.47000       0.7652000     517.2740      139.7  
1 1 1 4  14 19 o 24.34000       0.8948000     508.5136      -116.7 
1 1 1 4  14 20 o 30.32000       0.9125000     371.3434      -48.0  
1 1 1 4  14 21 o 77.19000       1.899000      1055.274      -177.3 
1 1 1 4  14 22 o 5.162000       0.6804000     138.8996      10.4   
1 1 1 4  14 23 o 32.08000       1.434000      884.3827      95.1   
1 1 1 4  14 24 o 114.1000       3.097000      1523.326      -138.8 
1 1 1 4  14 25 o 19.74000       1.038000      331.1647      149.6  
1 1 1 4  14 26 o 53.73000       1.458000      854.7774      174.2  
1 1 1 4  14 27 o 73.33000       2.057000      1109.030      33.0   
1 1 1 4  14 28 o 8.089000       1.236000      224.9506      84.1   
1 1 1 4  14 29 o 48.84000       1.694000      1044.866      -84.8  
1 1 1 4  14 30 o 28.02000       1.233000      657.9380      -92.2  
1 1 1 4  14 31 o 5.755000       1.076000      581.5237      -74.4  
1 1 1 4  14 32 o 51.48000       1.654000      1062.186      -61.8  
1 1 1 4  14 33 f 8.739000       1.056000      325.9940      -79.8  
1 1 1 4  14 34 o 76.65000       1.974000      1274.472      80.7   
1 1 1 4  14 35 o 87.34000       2.173000      1374.192      -29.8  
1 1 1 4  14 36 o 59.26000       1.701000      954.0641      20.8   
1 1 1 4  14 37 o 9.290000       1.143000      443.0292      56.6   
1 1 1 4  14 38 o 12.36000       1.064000      423.4167      -8.9   
1 1 1 4  14 39 o 52.09000       1.577000      1153.811      152.7  
1 1 1 4  14 40 o 9.945000       1.065000      435.1503      -159.8 
1 1 1 4  14 41 o 4.393000       1.277000      300.4489      71.7   
1 1 1 4  14 42 o 11.00000       1.529000      568.8185      -105.8 
1 1 1 4  14 43 o 3.142000       1.136000      194.5159      -166.4 
1 1 1 4  14 44 o 42.94000       1.670000      788.8845      -1.9   
1 1 1 4  14 45 o 20.55000       1.554000      643.2040      102.2  
1 1 1 4  14 46 o 1.869000       1.189000      116.6208      159.6  
1 1 1 4  14 47 o 1.402000       1.074000      107.0368      0.0    
1 1 1 4  14 48 o 6.474000       1.110000      179.2503      -25.4  
1 1 1 4  14 49 o 0.8925000      1.110000      102.9149      3.9    
1 1 1 4  14 50 o 7.350000       1.176000      179.8841      -25.3  
1 1 1 4  14 51 o 19.73000       1.311000      557.3090      -87.4  
1 1 1 4  14 52 o 10.53000       1.249000      375.9415      14.6   
1 1 1 4  14 53 o 7.340000       1.260000      313.2861      21.5   
1 1 1 4  14 54 o 1.364000       1.255000      178.8181      19.7   
1 1 1 4  14 55 o 2.596000       1.307000      150.3402      -139.4 
1 1 1 4  14 56 o 2.623000       1.355000      183.7870      -54.4  
1 1 1 4  14 57 o 30.24000       1.819000      824.9983      111.2  
1 1 1 4  14 58 o 1.955000       1.933000      286.0598      -6.2   
1 1 1 4  14 59 o 5.806000       1.813000      222.4847      -77.2  
1 1 1 4  14 60 o -0.3860000     2.309000      ?             ?      
1 1 1 4  14 61 o 15.81000       1.711000      ?             ?      
1 1 1 4  14 62 o 3.897000       1.386000      ?             ?      
1 1 1 4  14 63 o 2.866000       1.374000      ?             ?      
1 1 1 4  14 64 o 5.094000       1.404000      ?             ?      
1 1 1 4  14 65 o -0.5600000     1.350000      ?             ?      
1 1 1 4  14 66 o 5.816000       1.405000      ?             ?      
1 1 1 4  14 67 o 1.256000       1.368000      ?             ?      
1 1 1 4  14 68 o 0.6763000      1.373000      ?             ?      
1 1 1 4  14 69 o 0.3148000      1.379000      ?             ?      
1 1 1 4  14 70 o -0.4478000     1.384000      ?             ?      
1 1 1 4  14 71 o 2.708000       1.443000      ?             ?      
1 1 1 4  14 72 o 1.751000       1.673000      ?             ?      
1 1 1 4  14 73 o 0.3241000      2.022000      ?             ?      
1 1 1 4  14 74 o 1.973000       1.675000      ?             ?      
1 1 1 4  14 75 o 3.492000       1.482000      ?             ?      
1 1 1 4  15 0  o 24.71000       0.8649000     891.2910      180.0  
1 1 1 4  15 1  o 2.952000       0.3024000     142.8662      -42.3  
1 1 1 4  15 2  o 21.51000       0.5508000     639.1860      -16.5  
1 1 1 4  15 3  o 26.57000       0.6326000     899.9992      -100.5 
1 1 1 4  15 4  o 38.85000       0.8101000     900.4592      -23.0  
1 1 1 4  15 5  o 76.67000       1.491000      976.3239      -123.8 
1 1 1 4  15 6  o 16.97000       0.5394000     533.4861      -156.8 
1 1 1 4  15 7  o 39.24000       0.9104000     1216.828      -66.1  
1 1 1 4  15 8  o 25.77000       0.7209000     858.3894      49.1   
1 1 1 4  15 9  o 129.8000       3.360000      1442.179      167.9  
1 1 1 4  15 10 o 123.1000       4.365000      1364.024      -102.8 
1 1 1 4  15 11 o 59.90000       1.582000      1022.378      124.8  
1 1 1 4  15 12 o 39.88000       1.013000      902.8904      -68.8  
1 1 1 4  15 13 o 163.2000       3.284000      1783.970      -174.1 
1 1 1 4  15 14 o 22.96000       0.6634000     728.3360      -53.4  
1 1 1 4  15 15 o 24.21000       0.7018000     622.9184      -87.4  
1 1 1 4  15 16 o 13.90000       0.5771000     214.0460      32.4   
1 1 1 4  15 17 o 211.4000       4.253000      1963.434      170.2  
1 1 1 4  15 18 o 5.669000       0.7032000     496.0785      -130.7 
1 1 1 4  15 19 o 228.4000       4.600000      2259.934      -178.5 
1 1 1 4  15 20 o 10.53000       0.7499000     697.0578      -58.3  
1 1 1 4  15 21 o 26.12000       0.8856000     688.0073      37.0   
1 1 1 4  15 22 o 75.18000       1.724000      1397.791      -144.9 
1 1 1 4  15 23 o 49.07000       1.412000      947.4114      8.7    
1 1 1 4  15 24 o 38.04000       1.804000      769.3075      143.8  
1 1 1 4  15 25 o 54.21000       1.982000      857.3529      -70.0  
1 1 1 4  15 26 o 80.39000       2.082000      1735.887      118.5  
1 1 1 4  15 27 o 80.00000       2.202000      1349.227      31.4   
1 1 1 4  15 28 o 45.92000       1.868000      1014.037      22.1   
1 1 1 4  15 29 o 38.10000       1.730000      629.2113      43.3   
1 1 1 4  15 30 o 22.43000       1.183000      811.7778      82.2   
1 1 1 4  15 31 o 59.68000       1.706000      1145.709      88.1   
1 1 1 4  15 32 o 18.44000       1.124000      616.0645      -65.4  
1 1 1 4  15 33 o 42.67000       1.422000      829.2329      -177.1 
1 1 1 4  15 34 o 7.039000       1.047000      577.4980      151.4  
1 1 1 4  15 35 o 8.975000       1.057000      297.9914      -160.4 
1 1 1 4  15 36 o 96.98000       2.327000      1034.839      -162.0 
1 1 1 4  15 37 o 13.19000       1.077000      324.8142      49.2   
1 1 1 4  15 38 o 53.54000       1.587000      1201.834      -84.3  
1 1 1 4  15 39 o 16.63000       1.106000      267.3840      150.0  
1 1 1 4  15 40 o 65.13000       1.802000      1228.916      -162.9 
1 1 1 4  15 41 o 17.34000       1.247000      275.1593      95.8   
1 1 1 4  15 42 o 15.31000       1.594000      511.2325      7.4    
1 1 1 4  15 43 o 22.40000       1.571000      572.6232      8.9    
1 1 1 4  15 44 o 34.37000       1.557000      706.3643      -146.8 
1 1 1 4  15 45 o 4.116000       1.202000      303.5319      128.5  
1 1 1 4  15 46 o 10.50000       1.120000      514.1726      48.4   
1 1 1 4  15 47 o 0.6568000      1.067000      80.85712      -74.1  
1 1 1 4  15 48 o 6.065000       1.115000      222.5246      112.6  
1 1 1 4  15 49 o 20.60000       1.281000      505.2062      -102.9 
1 1 1 4  15 50 o 17.17000       1.272000      508.6284      163.9  
1 1 1 4  15 51 o 15.45000       1.261000      399.7711      142.1  
1 1 1 4  15 52 o 8.215000       1.241000      256.7770      166.0  
1 1 1 4  15 53 o 3.541000       1.246000      154.6289      42.2   
1 1 1 4  15 54 o 6.923000       1.297000      500.1245      8.9    
1 1 1 4  15 55 o 2.771000       1.320000      58.68092      103.3  
1 1 1 4  15 56 o 8.356000       1.397000      365.4985      78.0   
1 1 1 4  15 57 o 13.82000       1.627000      482.1832      101.7  
1 1 1 4  15 58 o 8.120000       2.010000      283.7078      20.8   
1 1 1 4  15 59 o -2.510000      2.546000      199.9312      21.8   
1 1 1 4  15 60 o 11.54000       1.686000      ?             ?      
1 1 1 4  15 61 o 11.42000       1.453000      ?             ?      
1 1 1 4  15 62 o 0.4311000      1.367000      ?             ?      
1 1 1 4  15 63 o 8.126000       1.414000      ?             ?      
1 1 1 4  15 64 o 4.581000       1.386000      ?             ?      
1 1 1 4  15 65 o 2.778000       1.383000      ?             ?      
1 1 1 4  15 66 o 3.663000       1.385000      ?             ?      
1 1 1 4  15 67 o 5.162000       1.386000      ?             ?      
1 1 1 4  15 68 o 0.3707000      1.368000      ?             ?      
1 1 1 4  15 69 o 1.944000       1.391000      ?             ?      
1 1 1 4  15 70 o 0.5561000      1.396000      ?             ?      
1 1 1 4  15 71 o -0.8876000     1.382000      ?             ?      
1 1 1 4  15 72 o -0.5552000     2.818000      ?             ?      
1 1 1 4  15 73 o 3.010000       3.836000      ?             ?      
1 1 1 4  15 74 o 1.034000       1.823000      ?             ?      
1 1 1 4  15 75 f 0.6028000      2.040000      ?             ?      
1 1 1 4  16 0  o 0.2218000      0.4436000     161.9532      -0.0   
1 1 1 4  16 1  o 44.83000       0.9789000     1212.731      8.6    
1 1 1 4  16 2  o 17.15000       0.4930000     712.4678      62.9   
1 1 1 4  16 3  o 14.60000       0.4890000     473.1029      -40.0  
1 1 1 4  16 4  o 15.38000       0.4995000     765.3930      -138.2 
1 1 1 4  16 5  o 16.92000       0.5761000     378.3682      63.6   
1 1 1 4  16 6  o 18.58000       0.7100000     367.9283      -120.2 
1 1 1 4  16 7  o 6.868000       0.4162000     212.5675      -144.3 
1 1 1 4  16 8  o 15.74000       0.8656000     822.1252      95.1   
1 1 1 4  16 9  o 50.20000       1.870000      1034.331      -82.6  
1 1 1 4  16 10 o 26.51000       1.056000      881.8361      -31.4  
1 1 1 4  16 11 o 22.63000       0.6821000     810.4931      -122.9 
1 1 1 4  16 12 o 73.54000       1.692000      1384.028      -118.7 
1 1 1 4  16 13 o 51.30000       1.150000      1392.029      -61.7  
1 1 1 4  16 14 o 46.96000       1.090000      600.7483      -164.9 
1 1 1 4  16 15 o 24.32000       0.7776000     522.6007      -54.0  
1 1 1 4  16 16 o 95.64000       2.013000      1302.775      -83.5  
1 1 1 4  16 17 o 264.0000       5.274000      2280.228      -160.4 
1 1 1 4  16 18 o 18.91000       1.039000      330.5524      12.6   
1 1 1 4  16 19 o 7.981000       0.6050000     417.7584      57.3   
1 1 1 4  16 20 o 16.43000       0.7231000     609.1614      -151.4 
1 1 1 4  16 21 o 160.1000       3.305000      1917.856      51.0   
1 1 1 4  16 22 o 74.75000       1.729000      1348.943      15.5   
1 1 1 4  16 23 o 70.97000       1.860000      897.3827      157.1  
1 1 1 4  16 24 o 4.337000       0.9432000     586.7280      -100.0 
1 1 1 4  16 25 o 50.60000       1.851000      838.5606      39.3   
1 1 1 4  16 26 o 12.93000       1.170000      723.9343      96.8   
1 1 1 4  16 27 o 5.102000       1.095000      461.0936      156.8  
1 1 1 4  16 28 o 385.9000       8.949000      2910.720      133.8  
1 1 1 4  16 29 o 56.09000       1.627000      1422.466      161.6  
1 1 1 4  16 30 o 139.7000       3.077000      1947.375      -166.9 
1 1 1 4  16 31 o 142.8000       3.137000      2017.092      -27.5  
1 1 1 4  16 32 o 24.43000       1.179000      873.8421      -66.6  
1 1 1 4  16 33 o 85.38000       2.117000      1157.976      17.1   
1 1 1 4  16 34 o 122.1000       2.762000      1492.584      -42.3  
1 1 1 4  16 35 o 90.36000       2.189000      1318.258      -81.4  
1 1 1 4  16 36 o 13.95000       1.072000      581.8273      -27.2  
1 1 1 4  16 37 o 10.08000       1.036000      574.4514      82.1   
1 1 1 4  16 38 o 24.02000       1.162000      482.5744      -144.9 
1 1 1 4  16 39 o 51.21000       1.558000      1205.359      -55.3  
1 1 1 4  16 40 o 45.28000       1.477000      733.9382      -130.9 
1 1 1 4  16 41 o 45.42000       1.483000      805.1761      58.3   
1 1 1 4  16 42 o 5.329000       1.276000      487.8310      -80.1  
1 1 1 4  16 43 o 9.550000       2.006000      446.5645      106.8  
1 1 1 4  16 44 o 18.39000       1.859000      588.4326      57.6   
1 1 1 4  16 45 o 11.12000       1.256000      445.9421      -135.7 
1 1 1 4  16 46 o 18.27000       1.196000      656.5693      -39.9  
1 1 1 4  16 47 o 2.576000       1.074000      213.3058      -63.5  
1 1 1 4  16 48 o 8.490000       1.144000      285.0594      48.7   
1 1 1 4  16 49 o 21.69000       1.309000      735.3542      -140.3 
1 1 1 4  16 50 o 68.93000       2.003000      1165.813      -39.8  
1 1 1 4  16 51 o 1.227000       1.186000      252.3863      -144.1 
1 1 1 4  16 52 o 16.00000       1.321000      565.7413      62.1   
1 1 1 4  16 53 o 2.548000       1.249000      116.0133      -11.3  
1 1 1 4  16 54 o 8.836000       1.323000      358.7453      140.2  
1 1 1 4  16 55 o 45.92000       1.794000      965.1951      150.8  
1 1 1 4  16 56 o 9.216000       1.412000      371.6115      110.4  
1 1 1 4  16 57 o 14.58000       1.501000      627.7567      111.5  
1 1 1 4  16 58 o 39.85000       2.556000      859.4708      -50.8  
1 1 1 4  16 59 o 15.97000       4.297000      619.6885      44.9   
1 1 1 4  16 60 o 5.634000       1.788000      ?             ?      
1 1 1 4  16 61 o 5.015000       1.376000      ?             ?      
1 1 1 4  16 62 o 4.963000       1.373000      ?             ?      
1 1 1 4  16 63 o 20.41000       1.524000      ?             ?      
1 1 1 4  16 64 o 4.420000       1.374000      ?             ?      
1 1 1 4  16 65 o 1.940000       1.356000      ?             ?      
1 1 1 4  16 66 o 5.316000       1.375000      ?             ?      
1 1 1 4  16 67 o 2.160000       1.357000      ?             ?      
1 1 1 4  16 68 o 2.567000       1.374000      ?             ?      
1 1 1 4  16 69 o 0.4964000      1.383000      ?             ?      
1 1 1 4  16 70 o 3.276000       1.409000      ?             ?      
1 1 1 4  16 71 o -0.9222000     1.390000      ?             ?      
1 1 1 4  16 72 o 0.5497000      1.784000      ?             ?      
1 1 1 4  16 73 o 1.114000       2.873000      ?             ?      
1 1 1 4  16 74 o 3.663000       1.720000      ?             ?      
1 1 1 4  17 0  o 7.408000       0.5701000     559.7599      0.0    
1 1 1 4  17 1  o 15.10000       0.6323000     773.7177      63.0   
1 1 1 4  17 2  o 12.76000       0.5272000     496.9074      141.2  
1 1 1 4  17 3  o 81.84000       1.822000      923.1089      -76.5  
1 1 1 4  17 4  o 166.2000       3.589000      1778.474      -103.5 
1 1 1 4  17 5  o 25.50000       0.6518000     552.3284      -170.2 
1 1 1 4  17 6  o 19.67000       0.5777000     963.5871      -53.8  
1 1 1 4  17 7  o 35.21000       0.9700000     881.9489      -171.6 
1 1 1 4  17 8  o 8.065000       0.3510000     211.5110      109.2  
1 1 1 4  17 9  o 144.4000       3.699000      1918.931      -155.9 
1 1 1 4  17 10 o 6.730000       0.4629000     333.4792      177.5  
1 1 1 4  17 11 o 30.14000       0.8114000     845.9398      -155.8 
1 1 1 4  17 12 o 87.33000       1.726000      1202.205      -110.0 
1 1 1 4  17 13 o 87.37000       1.831000      1124.994      -92.3  
1 1 1 4  17 14 o 4.700000       0.5035000     47.86632      -166.5 
1 1 1 4  17 15 o 258.3000       5.150000      1940.970      -130.6 
1 1 1 4  17 16 o 82.79000       1.775000      1459.716      -152.4 
1 1 1 4  17 17 o 566.2000       11.17000      3627.263      173.7  
1 1 1 4  17 18 o 164.7000       3.359000      1803.969      -166.3 
1 1 1 4  17 19 o 77.75000       1.727000      1245.760      153.4  
1 1 1 4  17 20 o 199.6000       4.067000      1659.760      -67.2  
1 1 1 4  17 21 o 250.4000       5.048000      2256.594      48.0   
1 1 1 4  17 22 o 248.5000       5.031000      2002.032      165.6  
1 1 1 4  17 23 o 30.17000       1.034000      491.9402      142.5  
1 1 1 4  17 24 o 362.4000       7.856000      2887.899      125.5  
1 1 1 4  17 25 o 30.23000       1.633000      779.2453      -18.9  
1 1 1 4  17 26 o 242.0000       8.624000      2279.279      -164.2 
1 1 1 4  17 27 o 135.9000       5.044000      1498.091      -149.6 
1 1 1 4  17 28 f 126.4000       3.107000      1954.681      -99.0  
1 1 1 4  17 29 o 94.62000       2.266000      1331.996      -115.2 
1 1 1 4  17 30 o 233.2000       4.838000      2144.607      77.0   
1 1 1 4  17 31 o 132.9000       2.947000      1424.582      -48.3  
1 1 1 4  17 32 o 14.36000       1.087000      369.4446      135.3  
1 1 1 4  17 33 o 41.54000       1.399000      1086.352      -23.0  
1 1 1 4  17 34 o 78.40000       1.989000      1219.070      -3.7   
1 1 1 4  17 35 f 62.36000       1.716000      1030.641      -98.6  
1 1 1 4  17 36 o 43.38000       1.404000      1095.969      -175.4 
1 1 1 4  17 37 o 80.95000       2.028000      1461.432      27.8   
1 1 1 4  17 38 o 84.87000       2.101000      1078.926      179.3  
1 1 1 4  17 39 o 16.86000       1.085000      607.7397      -111.4 
1 1 1 4  17 40 f 24.84000       1.180000      699.6298      115.0  
1 1 1 4  17 41 o 31.09000       1.275000      827.5568      -123.3 
1 1 1 4  17 42 o 56.47000       1.856000      1237.538      11.2   
1 1 1 4  17 43 o 18.23000       2.199000      422.1363      -67.8  
1 1 1 4  17 44 o 7.154000       1.537000      404.9674      -128.8 
1 1 1 4  17 45 o 17.94000       1.190000      707.7415      82.7   
1 1 1 4  17 46 o 23.25000       1.249000      656.4105      53.5   
1 1 1 4  17 47 o 12.29000       1.163000      425.2811      75.7   
1 1 1 4  17 48 o 17.13000       1.241000      718.0118      -29.4  
1 1 1 4  17 49 o 61.49000       1.888000      1182.297      -126.9 
1 1 1 4  17 50 o 21.91000       1.352000      542.0488      -31.0  
1 1 1 4  17 51 o 58.56000       1.867000      1102.927      77.8   
1 1 1 4  17 52 o 46.12000       1.701000      949.3974      -85.7  
1 1 1 4  17 53 o 17.39000       1.369000      603.2697      160.0  
1 1 1 4  17 54 o 1.101000       1.287000      191.1355      120.9  
1 1 1 4  17 55 o 11.23000       1.397000      456.4306      118.6  
1 1 1 4  17 56 o 25.42000       1.574000      763.9282      -121.9 
1 1 1 4  17 58 o 11.81000       1.894000      521.1426      154.1  
1 1 1 4  17 59 o 2.772000       2.684000      ?             ?      
1 1 1 4  17 60 o 3.361000       1.638000      ?             ?      
1 1 1 4  17 61 o 19.79000       1.498000      ?             ?      
1 1 1 4  17 62 o 3.450000       1.342000      ?             ?      
1 1 1 4  17 63 o 11.11000       1.414000      ?             ?      
1 1 1 4  17 64 o 3.171000       1.359000      ?             ?      
1 1 1 4  17 65 o 2.687000       1.361000      ?             ?      
1 1 1 4  17 66 o 4.580000       1.371000      ?             ?      
1 1 1 4  17 67 o 5.719000       1.389000      ?             ?      
1 1 1 4  17 68 o 1.953000       1.360000      ?             ?      
1 1 1 4  17 69 o 2.384000       1.371000      ?             ?      
1 1 1 4  17 70 o 5.166000       1.399000      ?             ?      
1 1 1 4  17 71 o 3.246000       1.594000      ?             ?      
1 1 1 4  17 72 o 3.439000       1.896000      ?             ?      
1 1 1 4  17 73 o 0.3431000      2.030000      ?             ?      
1 1 1 4  17 74 o -1.185000      1.943000      ?             ?      
1 1 1 4  18 0  o 18.73000       0.9066000     121.3623      -0.0   
1 1 1 4  18 1  o 20.71000       0.8492000     520.3929      35.0   
1 1 1 4  18 2  o 35.35000       1.030000      804.1129      -151.0 
1 1 1 4  18 3  o 99.33000       2.212000      1363.898      -28.7  
1 1 1 4  18 4  o 69.76000       1.589000      1073.151      -164.8 
1 1 1 4  18 5  o 34.11000       0.7976000     655.7151      30.1   
1 1 1 4  18 6  o 110.5000       2.131000      1428.601      -161.0 
1 1 1 4  18 7  o 7.663000       0.4578000     280.1806      19.1   
1 1 1 4  18 8  o 38.61000       1.112000      944.9415      -94.9  
1 1 1 4  18 9  o 16.34000       0.7110000     659.9332      -175.1 
1 1 1 4  18 10 o 113.0000       2.750000      1624.352      -167.7 
1 1 1 4  18 11 o 259.6000       5.123000      2121.613      -112.6 
1 1 1 4  18 12 o 290.8000       5.454000      2070.764      -35.2  
1 1 1 4  18 13 f 90.00000       2.036000      1147.165      -77.0  
1 1 1 4  18 14 o 49.89000       1.148000      369.6681      141.1  
1 1 1 4  18 15 o 198.9000       4.300000      2046.563      -21.2  
1 1 1 4  18 16 o 11.11000       0.5243000     948.4501      -128.2 
1 1 1 4  18 17 o 23.86000       0.8160000     837.7103      -118.8 
1 1 1 4  18 18 o 29.91000       0.9557000     627.1768      -0.8   
1 1 1 4  18 19 o 61.60000       1.429000      924.9199      14.4   
1 1 1 4  18 20 o 32.85000       1.153000      968.8409      -108.0 
1 1 1 4  18 21 o 17.11000       0.8812000     727.2371      95.7   
1 1 1 4  18 22 o 215.6000       4.388000      2089.773      172.3  
1 1 1 4  18 23 o 199.0000       4.088000      2373.841      -163.6 
1 1 1 4  18 24 o 142.1000       3.283000      1946.052      -66.8  
1 1 1 4  18 25 o 8.811000       1.506000      398.9132      112.3  
1 1 1 4  18 26 o 173.7000       7.236000      1691.584      -83.9  
1 1 1 4  18 27 o 119.9000       3.836000      1492.982      -38.6  
1 1 1 4  18 28 o 237.5000       4.901000      2278.835      140.7  
1 1 1 4  18 29 o 106.3000       2.473000      1622.270      -130.6 
1 1 1 4  18 30 o 141.7000       3.110000      1863.688      16.9   
1 1 1 4  18 31 o 58.53000       1.645000      1005.589      58.4   
1 1 1 4  18 32 o 62.61000       1.723000      827.6389      -23.3  
1 1 1 4  18 33 o 35.95000       1.309000      789.8588      -21.2  
1 1 1 4  18 34 o 118.3000       2.678000      1665.323      -17.8  
1 1 1 4  18 35 o 47.60000       1.471000      1129.279      -177.6 
1 1 1 4  18 36 f 8.386000       1.002000      374.8789      7.9    
1 1 1 4  18 37 o 27.54000       1.196000      534.8383      -23.9  
1 1 1 4  18 38 o 42.84000       1.406000      928.1775      -54.7  
1 1 1 4  18 39 o 53.43000       1.576000      1149.914      -71.5  
1 1 1 4  18 40 o 42.46000       1.425000      691.5345      117.0  
1 1 1 4  18 41 o 10.77000       1.044000      515.3906      144.2  
1 1 1 4  18 42 o 70.78000       2.145000      1234.171      -21.8  
1 1 1 4  18 43 o 93.67000       4.558000      1466.085      149.1  
1 1 1 4  18 44 o 2.655000       2.067000      347.0335      -15.4  
1 1 1 4  18 45 o 40.39000       1.617000      839.9078      -61.8  
1 1 1 4  18 46 o 4.329000       1.098000      222.7572      22.7   
1 1 1 4  18 47 o 84.23000       2.209000      1293.084      67.6   
1 1 1 4  18 48 o 76.17000       2.105000      1132.468      22.0   
1 1 1 4  18 49 o 55.90000       1.990000      1174.246      68.6   
1 1 1 4  18 50 o 6.016000       1.224000      363.2976      33.5   
1 1 1 4  18 51 o 14.97000       1.304000      559.9691      -142.7 
1 1 1 4  18 52 o 14.04000       1.323000      549.6741      -117.7 
1 1 1 4  18 53 o 10.06000       1.327000      350.6349      96.4   
1 1 1 4  18 54 o 0.6917000      1.321000      24.70841      12.7   
1 1 1 4  18 55 o 30.74000       1.623000      813.6689      -159.7 
1 1 1 4  18 56 o 43.44000       1.806000      1052.715      -133.1 
1 1 1 4  18 57 o 34.71000       1.892000      1029.961      -22.5  
1 1 1 4  18 58 o 21.84000       2.007000      733.9751      -170.2 
1 1 1 4  18 59 o 23.68000       2.214000      ?             ?      
1 1 1 4  18 60 o 4.718000       1.870000      ?             ?      
1 1 1 4  18 61 o 0.8547000      1.427000      ?             ?      
1 1 1 4  18 62 o 5.622000       1.356000      ?             ?      
1 1 1 4  18 63 o 5.671000       1.353000      ?             ?      
1 1 1 4  18 64 o 5.748000       1.369000      ?             ?      
1 1 1 4  18 65 o 0.7681000      1.345000      ?             ?      
1 1 1 4  18 66 o 10.15000       1.407000      ?             ?      
1 1 1 4  18 67 o 5.337000       1.390000      ?             ?      
1 1 1 4  18 68 o 5.577000       1.381000      ?             ?      
1 1 1 4  18 69 o -0.1112000     1.361000      ?             ?      
1 1 1 4  18 70 o 1.392000       1.391000      ?             ?      
1 1 1 4  18 71 o 1.051000       1.570000      ?             ?      
1 1 1 4  18 72 o 1.784000       1.607000      ?             ?      
1 1 1 4  18 73 o 1.020000       1.558000      ?             ?      
1 1 1 4  18 74 o 6.363000       2.210000      ?             ?      
1 1 1 4  19 0  o 7.982000       0.7837000     6.540745      0.0    
1 1 1 4  19 1  o 125.9000       3.148000      1655.791      156.7  
1 1 1 4  19 2  o 4.228000       0.4515000     208.2727      8.9    
1 1 1 4  19 3  o 88.09000       1.958000      1268.411      -65.8  
1 1 1 4  19 4  o 40.06000       0.9907000     704.6486      174.8  
1 1 1 4  19 5  o 12.38000       0.4586000     525.6869      -159.4 
1 1 1 4  19 6  o 147.0000       2.997000      1979.163      -76.0  
1 1 1 4  19 7  o 449.3000       10.20000      2924.734      -83.0  
1 1 1 4  19 8  o 11.17000       0.5920000     427.0381      27.2   
1 1 1 4  19 9  o 106.3000       3.320000      1310.444      -11.4  
1 1 1 4  19 10 o 188.4000       4.420000      2031.427      164.8  
1 1 1 4  19 11 o 134.1000       3.388000      1534.475      -46.7  
1 1 1 4  19 12 o 25.60000       0.7418000     1025.898      -160.0 
1 1 1 4  19 13 o 40.12000       1.053000      833.7587      -155.3 
1 1 1 4  19 14 o 448.9000       8.861000      2787.903      129.9  
1 1 1 4  19 15 o 38.00000       1.156000      546.3591      -59.5  
1 1 1 4  19 16 o 28.32000       0.8886000     918.2726      -114.3 
1 1 1 4  19 17 o 214.3000       4.646000      2041.676      154.2  
1 1 1 4  19 18 o 9.381000       0.5896000     455.8922      -60.6  
1 1 1 4  19 19 o 24.89000       0.8243000     607.3939      -115.9 
1 1 1 4  19 20 o 6.000000       0.6442000     220.5505      44.6   
1 1 1 4  19 21 o 19.06000       0.8255000     854.5266      31.4   
1 1 1 4  19 22 o 453.9000       9.020000      2915.632      -118.6 
1 1 1 4  19 23 o 133.7000       2.854000      1272.250      60.5   
1 1 1 4  19 24 o 38.50000       1.228000      931.5524      -32.3  
1 1 1 4  19 25 o 263.8000       6.976000      2630.791      -35.4  
1 1 1 4  19 26 o 12.14000       2.601000      632.6313      111.5  
1 1 1 4  19 27 o 131.2000       4.253000      1712.198      -24.6  
1 1 1 4  19 28 o 59.40000       1.821000      1076.970      -90.7  
1 1 1 4  19 29 o 67.35000       1.789000      1483.130      149.5  
1 1 1 4  19 30 o 105.2000       2.431000      1430.162      -9.8   
1 1 1 4  19 31 o 33.43000       1.260000      771.0520      154.7  
1 1 1 4  19 32 o 11.78000       1.039000      211.3272      109.2  
1 1 1 4  19 33 o 67.30000       1.781000      1158.719      21.6   
1 1 1 4  19 34 o 40.06000       1.359000      744.2139      115.9  
1 1 1 4  19 35 o 117.6000       2.672000      1643.425      109.4  
1 1 1 4  19 36 o 10.87000       1.010000      539.3646      11.4   
1 1 1 4  19 37 o 69.52000       1.830000      1077.352      -16.8  
1 1 1 4  19 38 o 2.243000       0.9567000     158.9410      -90.8  
1 1 1 4  19 39 o 22.76000       1.208000      548.2582      -26.4  
1 1 1 4  19 40 o 8.365000       1.002000      406.9123      141.0  
1 1 1 4  19 41 f 1.725000       0.9915000     242.2263      -172.8 
1 1 1 4  19 42 o 23.31000       1.318000      767.1582      -13.1  
1 1 1 4  19 43 o 4.545000       1.355000      290.9489      165.1  
1 1 1 4  19 44 o 37.34000       1.998000      856.8003      -59.6  
1 1 1 4  19 45 o 29.04000       1.858000      658.0214      134.8  
1 1 1 4  19 46 o 43.26000       1.568000      972.3860      54.4   
1 1 1 4  19 47 o 96.77000       2.451000      ?             ?      
1 1 1 4  19 48 o 77.55000       2.141000      1089.653      -151.8 
1 1 1 4  19 49 o 19.06000       1.324000      595.8477      -139.7 
1 1 1 4  19 50 o 81.96000       2.246000      ?             ?      
1 1 1 4  19 51 o 2.711000       1.235000      198.9029      -2.7   
1 1 1 4  19 52 o 49.52000       1.776000      957.1331      -79.9  
1 1 1 4  19 53 o 94.43000       2.535000      ?             ?      
1 1 1 4  19 54 o 65.30000       2.086000      ?             ?      
1 1 1 4  19 55 o 7.596000       1.402000      512.3405      7.3    
1 1 1 4  19 56 o 15.02000       1.477000      486.5208      -17.7  
1 1 1 4  19 57 o 0.4475000E-01  1.502000      127.9069      69.9   
1 1 1 4  19 58 o 9.293000       1.691000      464.8326      165.6  
1 1 1 4  19 59 o 3.932000       1.470000      ?             ?      
1 1 1 4  19 60 o 20.55000       2.045000      ?             ?      
1 1 1 4  19 61 o 2.906000       1.562000      ?             ?      
1 1 1 4  19 62 o 11.10000       1.417000      ?             ?      
1 1 1 4  19 63 o 1.640000       1.325000      ?             ?      
1 1 1 4  19 64 o 1.891000       1.341000      ?             ?      
1 1 1 4  19 65 o 15.63000       1.465000      ?             ?      
1 1 1 4  19 66 o 11.33000       1.427000      ?             ?      
1 1 1 4  19 67 o 8.540000       1.390000      ?             ?      
1 1 1 4  19 68 o 3.531000       1.348000      ?             ?      
1 1 1 4  19 69 o 3.069000       1.368000      ?             ?      
1 1 1 4  19 70 o 1.637000       1.562000      ?             ?      
1 1 1 4  19 71 o -2.350000      1.827000      ?             ?      
1 1 1 4  19 72 o 5.690000       1.645000      ?             ?      
1 1 1 4  19 73 o 1.188000       1.571000      ?             ?      
1 1 1 4  19 74 o 0.2984000      3.037000      ?             ?      
1 1 1 4  20 0  o 341.5000       9.538000      2275.606      180.0  
1 1 1 4  20 1  o 228.4000       4.541000      2277.440      -152.3 
1 1 1 4  20 2  o 58.02000       1.372000      1084.895      34.3   
1 1 1 4  20 3  o 218.0000       5.004000      1905.750      1.2    
1 1 1 4  20 4  o 61.89000       1.433000      1230.826      -154.8 
1 1 1 4  20 5  o 3.925000       0.3696000     260.5528      169.7  
1 1 1 4  20 6  o 100.2000       2.107000      906.8617      121.8  
1 1 1 4  20 7  o 87.47000       2.533000      1254.648      9.9    
1 1 1 4  20 8  o 199.3000       6.436000      1921.377      77.8   
1 1 1 4  20 9  o 532.0000       12.34000      3097.520      170.5  
1 1 1 4  20 10 o 266.1000       6.319000      2176.637      -174.3 
1 1 1 4  20 11 o 205.5000       4.213000      2356.093      -15.0  
1 1 1 4  20 12 o 219.2000       5.160000      1820.243      132.1  
1 1 1 4  20 13 o 186.4000       3.835000      2055.841      -167.2 
1 1 1 4  20 14 o 18.64000       0.9061000     677.5629      20.3   
1 1 1 4  20 15 o 37.22000       1.029000      1263.006      -88.6  
1 1 1 4  20 16 o 184.7000       4.027000      2126.939      117.3  
1 1 1 4  20 17 o 307.8000       6.612000      2673.064      36.2   
1 1 1 4  20 18 o 160.4000       3.538000      2021.824      -129.9 
1 1 1 4  20 19 o 42.72000       1.121000      1134.160      -17.2  
1 1 1 4  20 20 o 59.29000       1.439000      1316.591      -73.3  
1 1 1 4  20 21 o 25.02000       0.9162000     802.7184      84.1   
1 1 1 4  20 22 o 47.53000       1.297000      981.1885      -151.2 
1 1 1 4  20 23 o 131.8000       2.846000      1570.910      115.5  
1 1 1 4  20 24 o 56.54000       1.618000      879.4943      59.6   
1 1 1 4  20 25 o 52.09000       2.000000      958.5415      57.8   
1 1 1 4  20 26 o 13.03000       1.424000      763.7515      49.9   
1 1 1 4  20 27 o 87.77000       2.754000      1261.379      -20.9  
1 1 1 4  20 28 o 73.76000       2.261000      1029.168      40.9   
1 1 1 4  20 29 o 223.9000       5.040000      2156.678      37.7   
1 1 1 4  20 30 o 27.69000       1.177000      507.2343      122.4  
1 1 1 4  20 31 o 51.21000       1.506000      1190.201      -80.9  
1 1 1 4  20 32 o 101.0000       2.359000      1467.237      -96.8  
1 1 1 4  20 33 o 25.06000       1.147000      695.6718      7.5    
1 1 1 4  20 34 o 47.46000       1.465000      1196.297      -161.5 
1 1 1 4  20 35 o 22.55000       1.187000      556.0658      -64.4  
1 1 1 4  20 36 o 65.56000       1.751000      1239.576      38.4   
1 1 1 4  20 37 o 40.81000       1.363000      850.6343      -13.0  
1 1 1 4  20 38 o 13.15000       1.022000      368.8105      117.8  
1 1 1 4  20 39 o 27.04000       1.186000      811.7136      -160.0 
1 1 1 4  20 40 o 27.13000       1.203000      672.5821      -166.1 
1 1 1 4  20 41 o 7.365000       1.273000      298.8466      104.5  
1 1 1 4  20 42 f 23.63000       1.527000      803.1937      96.1   
1 1 1 4  20 43 o 15.86000       1.289000      412.9919      -105.3 
1 1 1 4  20 44 o 28.10000       1.587000      777.6436      -48.9  
1 1 1 4  20 45 o 49.23000       2.228000      1021.591      50.1   
1 1 1 4  20 46 o 102.7000       2.757000      ?             ?      
1 1 1 4  20 47 o 62.60000       1.878000      1139.012      -7.1   
1 1 1 4  20 48 o 9.005000       1.205000      615.7688      -136.0 
1 1 1 4  20 49 o 79.49000       2.180000      ?             ?      
1 1 1 4  20 50 o 12.32000       1.284000      532.7488      -80.3  
1 1 1 4  20 51 o 37.60000       1.603000      987.4779      155.1  
1 1 1 4  20 52 o 43.83000       1.714000      896.8856      -108.8 
1 1 1 4  20 53 o 74.40000       2.210000      ?             ?      
1 1 1 4  20 54 o 34.77000       1.658000      915.6663      -155.1 
1 1 1 4  20 55 o 2.653000       1.369000      237.1993      119.7  
1 1 1 4  20 56 o 6.903000       1.557000      470.0637      -11.2  
1 1 1 4  20 57 o 7.508000       1.781000      246.7878      179.5  
1 1 1 4  20 58 o 21.03000       1.656000      ?             ?      
1 1 1 4  20 59 o 10.39000       1.386000      ?             ?      
1 1 1 4  20 60 o 24.28000       1.832000      ?             ?      
1 1 1 4  20 61 o 3.118000       1.824000      ?             ?      
1 1 1 4  20 62 o 5.924000       1.441000      ?             ?      
1 1 1 4  20 63 o 19.31000       1.468000      ?             ?      
1 1 1 4  20 64 o 2.202000       1.340000      ?             ?      
1 1 1 4  20 65 o 2.659000       1.356000      ?             ?      
1 1 1 4  20 67 o 0.5053000      1.339000      ?             ?      
1 1 1 4  20 68 o 11.63000       1.437000      ?             ?      
1 1 1 4  20 69 o 0.2723000      1.360000      ?             ?      
1 1 1 4  20 71 o -2.565000      1.797000      ?             ?      
1 1 1 4  20 72 o 2.334000       1.814000      ?             ?      
1 1 1 4  20 73 o 2.163000       1.706000      ?             ?      
1 1 1 4  21 0  o 7.440000       0.6886000     503.2840      -180.0 
1 1 1 4  21 1  o 16.08000       0.5803000     796.8266      -136.8 
1 1 1 4  21 2  o 360.5000       7.122000      2155.162      11.8   
1 1 1 4  21 3  o 2.462000       0.4313000     431.3821      143.2  
1 1 1 4  21 4  o 115.9000       2.380000      1295.356      126.6  
1 1 1 4  21 5  o 29.59000       0.8494000     605.3718      -82.4  
1 1 1 4  21 6  o 190.1000       5.319000      1915.845      -68.2  
1 1 1 4  21 7  o 85.33000       2.296000      1421.505      -177.4 
1 1 1 4  21 8  o 69.10000       2.167000      1238.686      138.2  
1 1 1 4  21 9  o 12.39000       0.9193000     323.0310      58.3   
1 1 1 4  21 10 o 23.15000       0.9942000     696.0929      137.5  
1 1 1 4  21 11 o 96.40000       2.423000      896.2414      -131.9 
1 1 1 4  21 12 o 10.63000       0.5972000     151.0021      25.1   
1 1 1 4  21 13 o 191.4000       3.967000      1764.463      -49.8  
1 1 1 4  21 14 o 104.8000       2.192000      1235.496      110.3  
1 1 1 4  21 15 o 85.85000       2.003000      1666.866      -56.1  
1 1 1 4  21 16 o 72.21000       1.746000      1136.441      -151.3 
1 1 1 4  21 17 o 159.4000       4.040000      1372.323      83.6   
1 1 1 4  21 18 o 104.8000       2.229000      1666.202      72.3   
1 1 1 4  21 19 o 53.23000       1.427000      1058.922      -37.7  
1 1 1 4  21 20 o 111.5000       2.401000      1444.402      137.4  
1 1 1 4  21 21 o 116.5000       2.510000      1457.001      -62.8  
1 1 1 4  21 22 o 109.1000       2.388000      1359.119      -158.4 
1 1 1 4  21 23 o 31.26000       1.112000      548.2605      42.1   
1 1 1 4  21 24 o 52.68000       1.649000      1190.371      -34.8  
1 1 1 4  21 25 o 50.71000       1.775000      1084.217      -39.3  
1 1 1 4  21 26 o 34.28000       1.547000      645.6372      81.4   
1 1 1 4  21 27 f 7.475000       1.232000      555.7893      107.0  
1 1 1 4  21 28 f 104.8000       3.299000      1449.363      150.4  
1 1 1 4  21 29 o 88.66000       2.338000      1475.143      -147.6 
1 1 1 4  21 30 o 67.51000       1.760000      1453.796      53.5   
1 1 1 4  21 31 o 151.8000       3.284000      1836.154      61.4   
1 1 1 4  21 32 o 17.71000       1.042000      673.1852      60.3   
1 1 1 4  21 33 o 10.94000       0.9911000     783.4114      34.9   
1 1 1 4  21 34 o 167.5000       3.577000      2137.556      106.5  
1 1 1 4  21 35 o 4.422000       0.9457000     347.7648      157.8  
1 1 1 4  21 36 o 39.32000       1.337000      922.3661      17.2   
1 1 1 4  21 37 o 3.353000       0.9346000     83.34724      -89.5  
1 1 1 4  21 38 o 13.86000       1.014000      486.9612      -114.4 
1 1 1 4  21 39 o 9.665000       1.008000      448.8868      -115.6 
1 1 1 4  21 40 o 19.80000       1.142000      546.3196      -73.5  
1 1 1 4  21 41 o 29.36000       1.398000      920.3496      162.9  
1 1 1 4  21 42 o 3.534000       1.144000      394.1001      14.0   
1 1 1 4  21 43 o 47.19000       1.570000      1074.149      -87.7  
1 1 1 4  21 44 o 21.34000       1.352000      655.8540      107.0  
1 1 1 4  21 45 o 23.86000       1.790000      602.1903      -39.1  
1 1 1 4  21 46 o 11.26000       1.684000      539.8276      -128.2 
1 1 1 4  21 47 o 18.88000       1.281000      665.8283      -90.2  
1 1 1 4  21 48 o 33.01000       1.453000      928.5319      86.6   
1 1 1 4  21 49 o 3.755000       1.192000      352.1656      -156.0 
1 1 1 4  21 50 o 9.491000       1.270000      486.7881      -40.3  
1 1 1 4  21 51 o 10.41000       1.312000      501.3968      -50.5  
1 1 1 4  21 52 o 32.43000       1.595000      913.7368      -103.4 
1 1 1 4  21 53 o 7.433000       1.369000      177.6860      -22.7  
1 1 1 4  21 54 o 68.18000       2.171000      ?             ?      
1 1 1 4  21 55 o 6.058000       1.397000      245.7880      -0.4   
1 1 1 4  21 56 o 5.465000       1.560000      261.1639      -68.7  
1 1 1 4  21 57 o 6.249000       1.577000      376.1990      -96.9  
1 1 1 4  21 58 o 4.245000       1.361000      ?             ?      
1 1 1 4  21 59 o 27.57000       1.558000      ?             ?      
1 1 1 4  21 60 o 2.930000       1.451000      ?             ?      
1 1 1 4  21 61 o 7.513000       1.852000      ?             ?      
1 1 1 4  21 62 o 7.700000       1.576000      ?             ?      
1 1 1 4  21 63 o 12.37000       1.412000      ?             ?      
1 1 1 4  21 64 o 7.827000       1.368000      ?             ?      
1 1 1 4  21 65 o 5.848000       1.360000      ?             ?      
1 1 1 4  21 66 o 5.812000       1.369000      ?             ?      
1 1 1 4  21 67 o 6.070000       1.366000      ?             ?      
1 1 1 4  21 68 o 1.847000       1.342000      ?             ?      
1 1 1 4  21 69 o 9.485000       1.832000      ?             ?      
1 1 1 4  21 70 o -3.079000      2.603000      ?             ?      
1 1 1 4  21 71 o -0.1454000E-01 1.995000      ?             ?      
1 1 1 4  21 72 o 0.2625000      1.551000      ?             ?      
1 1 1 4  21 73 o 4.150000       1.448000      ?             ?      
1 1 1 4  22 0  o 28.62000       1.673000      412.0739      -0.0   
1 1 1 4  22 1  o 13.48000       0.5688000     847.1409      -59.6  
1 1 1 4  22 2  o 75.10000       1.609000      1046.348      38.6   
1 1 1 4  22 3  o 1.603000       0.4469000     316.8401      -159.4 
1 1 1 4  22 4  o 176.8000       3.553000      1524.287      -139.0 
1 1 1 4  22 5  o 126.3000       2.774000      1421.672      157.3  
1 1 1 4  22 6  o 111.8000       2.639000      1255.633      174.5  
1 1 1 4  22 7  o 28.82000       0.8499000     687.9719      -166.9 
1 1 1 4  22 8  o 501.2000       10.63000      2879.123      -171.9 
1 1 1 4  22 9  o 208.4000       5.921000      1951.672      152.9  
1 1 1 4  22 10 o 254.7000       7.713000      2629.926      140.7  
1 1 1 4  22 11 o 119.0000       3.706000      2006.283      100.0  
1 1 1 4  22 12 o 152.9000       4.359000      1582.037      151.8  
1 1 1 4  22 13 o 0.8946000      0.5575000     318.3773      -123.9 
1 1 1 4  22 14 o 50.11000       1.585000      1112.222      138.4  
1 1 1 4  22 15 o 268.8000       5.086000      2918.002      59.9   
1 1 1 4  22 16 o 24.73000       1.130000      936.1992      82.2   
1 1 1 4  22 17 o 242.7000       5.264000      2222.875      -27.7  
1 1 1 4  22 18 o 264.1000       6.522000      2359.208      -161.7 
1 1 1 4  22 19 o 19.13000       0.7759000     553.9136      -105.7 
1 1 1 4  22 20 o 473.0000       9.383000      2925.314      16.0   
1 1 1 4  22 21 o 7.982000       0.7744000     616.9654      161.6  
1 1 1 4  22 22 o 331.4000       6.643000      2528.478      146.9  
1 1 1 4  22 23 o 52.79000       1.520000      744.4973      128.9  
1 1 1 4  22 24 o 24.92000       1.242000      458.4689      -58.0  
1 1 1 4  22 25 o 12.31000       1.083000      340.1502      -3.5   
1 1 1 4  22 26 o 246.4000       5.504000      2270.464      -86.7  
1 1 1 4  22 27 o 22.16000       1.354000      577.6981      -13.1  
1 1 1 4  22 28 o 99.01000       2.957000      1096.446      80.6   
1 1 1 4  22 29 o 46.70000       2.054000      1018.146      0.0    
1 1 1 4  22 30 o 16.01000       1.139000      767.7077      149.3  
1 1 1 4  22 31 o 44.28000       1.379000      827.4215      -55.7  
1 1 1 4  22 32 o 73.55000       1.856000      1306.536      96.3   
1 1 1 4  22 33 o 18.34000       1.038000      482.4740      -107.2 
1 1 1 4  22 34 o 145.2000       3.158000      1622.654      -72.7  
1 1 1 4  22 35 o 77.04000       1.938000      1173.449      -8.7   
1 1 1 4  22 36 o 33.26000       1.236000      598.4215      -148.0 
1 1 1 4  22 37 o 16.59000       1.034000      410.5628      132.3  
1 1 1 4  22 38 o 25.09000       1.152000      635.5857      -78.5  
1 1 1 4  22 39 o 156.4000       3.421000      ?             ?      
1 1 1 4  22 40 o 18.01000       1.209000      457.7465      -166.2 
1 1 1 4  22 41 o 25.37000       1.518000      791.0151      143.4  
1 1 1 4  22 42 o 27.55000       1.415000      827.9546      -96.5  
1 1 1 4  22 43 o 6.213000       1.074000      248.4085      -45.1  
1 1 1 4  22 44 o 9.405000       1.122000      337.8812      -63.0  
1 1 1 4  22 45 o 10.97000       1.415000      438.0440      -147.3 
1 1 1 4  22 46 o 40.67000       2.143000      990.0356      -75.1  
1 1 1 4  22 47 o 11.50000       1.337000      535.8094      -42.9  
1 1 1 4  22 48 o 18.25000       1.292000      621.2541      125.0  
1 1 1 4  22 49 o 39.51000       1.573000      801.0135      81.2   
1 1 1 4  22 50 o 15.97000       1.319000      633.8576      -99.5  
1 1 1 4  22 51 o 43.63000       1.711000      1096.090      31.3   
1 1 1 4  22 52 o 2.165000       1.317000      180.7390      -24.8  
1 1 1 4  22 53 o 85.70000       2.416000      ?             ?      
1 1 1 4  22 55 o 38.13000       1.909000      1086.985      53.3   
1 1 1 4  22 56 o 9.180000       2.671000      366.6070      53.4   
1 1 1 4  22 57 o 13.21000       1.623000      ?             ?      
1 1 1 4  22 58 o 14.76000       1.445000      ?             ?      
1 1 1 4  22 59 o 3.757000       1.340000      ?             ?      
1 1 1 4  22 60 o 1.697000       1.310000      ?             ?      
1 1 1 4  22 61 o 11.84000       1.636000      ?             ?      
1 1 1 4  22 62 o 6.915000       1.809000      ?             ?      
1 1 1 4  22 63 o 20.05000       1.632000      ?             ?      
1 1 1 4  22 64 o 2.733000       1.323000      ?             ?      
1 1 1 4  22 66 o 1.031000       1.337000      ?             ?      
1 1 1 4  22 67 o 2.080000       1.472000      ?             ?      
1 1 1 4  22 68 o 1.744000       1.723000      ?             ?      
1 1 1 4  22 69 o 0.4965000E-01  1.945000      ?             ?      
1 1 1 4  22 70 o 4.682000       2.859000      ?             ?      
1 1 1 4  22 71 o -0.6047000     1.396000      ?             ?      
1 1 1 4  22 72 o 0.4599000E-01  1.419000      ?             ?      
1 1 1 4  23 0  o 26.69000       1.492000      523.4896      -180.0 
1 1 1 4  23 1  o 147.6000       2.993000      1784.529      73.5   
1 1 1 4  23 2  o 61.09000       1.364000      1118.839      -95.7  
1 1 1 4  23 3  o 16.91000       0.6220000     460.1524      97.3   
1 1 1 4  23 4  o 16.04000       0.6182000     428.5810      -41.1  
1 1 1 4  23 5  o 175.1000       4.511000      1705.948      -68.3  
1 1 1 4  23 6  o 35.98000       1.106000      848.5106      -49.3  
1 1 1 4  23 7  o 133.0000       3.357000      2023.036      -137.9 
1 1 1 4  23 8  o 337.7000       6.706000      2668.039      -60.6  
1 1 1 4  23 9  o 117.3000       2.992000      1519.465      -36.8  
1 1 1 4  23 10 o 251.2000       6.453000      2179.743      166.2  
1 1 1 4  23 11 o 53.62000       1.588000      840.5518      177.4  
1 1 1 4  23 12 o 141.5000       4.716000      1770.102      -95.2  
1 1 1 4  23 13 o 46.57000       1.615000      1335.374      -99.6  
1 1 1 4  23 14 o 227.7000       5.784000      2341.004      60.7   
1 1 1 4  23 15 o 33.66000       1.518000      1196.601      -130.5 
1 1 1 4  23 16 o 220.5000       5.128000      1980.971      123.4  
1 1 1 4  23 17 o 86.95000       2.078000      1718.400      -46.4  
1 1 1 4  23 18 o 210.1000       4.271000      2045.372      84.9   
1 1 1 4  23 19 o 301.8000       6.520000      2704.755      -72.3  
1 1 1 4  23 20 o 226.5000       4.994000      1975.424      135.0  
1 1 1 4  23 21 o 20.50000       0.9618000     900.4382      -148.7 
1 1 1 4  23 22 o 18.13000       0.8929000     809.4700      -161.5 
1 1 1 4  23 23 o 34.32000       1.353000      1269.969      47.8   
1 1 1 4  23 24 o 170.6000       4.602000      2257.647      -45.3  
1 1 1 4  23 25 o 47.29000       1.512000      1143.973      -96.8  
1 1 1 4  23 26 o 28.94000       1.172000      757.7924      -136.8 
1 1 1 4  23 27 o 27.06000       1.267000      750.1454      -22.5  
1 1 1 4  23 28 o 1.178000       1.122000      499.2794      -143.7 
1 1 1 4  23 29 o 16.24000       1.465000      633.3612      -166.8 
1 1 1 4  23 30 o 100.0000       2.511000      1435.878      88.3   
1 1 1 4  23 31 o 26.21000       1.107000      735.5798      155.4  
1 1 1 4  23 32 o 68.80000       1.779000      1241.412      169.8  
1 1 1 4  23 33 o 17.65000       1.010000      512.0892      -48.4  
1 1 1 4  23 34 o 41.94000       1.343000      733.8196      120.2  
1 1 1 4  23 35 o 82.32000       2.031000      1446.337      31.3   
1 1 1 4  23 36 o 2.553000       0.9313000     174.8728      75.4   
1 1 1 4  23 37 o 45.58000       1.547000      946.4980      5.8    
1 1 1 4  23 38 o 8.553000       0.9895000     406.9903      -171.0 
1 1 1 4  23 39 o 31.30000       1.351000      622.1036      143.6  
1 1 1 4  23 40 o 16.95000       1.198000      499.5494      164.0  
1 1 1 4  23 41 o 2.326000       1.184000      229.8239      -139.1 
1 1 1 4  23 42 o 36.68000       1.400000      902.9671      -30.3  
1 1 1 4  23 43 o 10.31000       1.099000      518.2140      -50.4  
1 1 1 4  23 44 o 21.92000       1.233000      571.2226      -176.0 
1 1 1 4  23 45 o 41.85000       1.682000      760.6758      -51.8  
1 1 1 4  23 46 o 14.17000       1.758000      505.8815      -165.5 
1 1 1 4  23 47 o 2.249000       1.654000      180.3749      81.1   
1 1 1 4  23 48 o 57.28000       1.847000      1090.623      87.0   
1 1 1 4  23 49 o 46.30000       1.685000      796.0777      -137.0 
1 1 1 4  23 50 o 61.33000       1.945000      986.2593      76.5   
1 1 1 4  23 51 o 62.37000       1.988000      ?             ?      
1 1 1 4  23 52 o 11.52000       1.365000      525.9544      -132.4 
1 1 1 4  23 53 o 13.84000       1.414000      593.4326      -78.4  
1 1 1 4  23 54 o 5.915000       1.387000      466.5695      -106.5 
1 1 1 4  23 55 o 15.30000       1.625000      607.4792      99.2   
1 1 1 4  23 56 o 11.09000       1.604000      656.3360      127.4  
1 1 1 4  23 57 o 29.28000       1.615000      ?             ?      
1 1 1 4  23 58 o 8.396000       1.385000      ?             ?      
1 1 1 4  23 59 o 10.52000       1.380000      ?             ?      
1 1 1 4  23 60 o 25.43000       1.513000      ?             ?      
1 1 1 4  23 61 o 3.410000       1.423000      ?             ?      
1 1 1 4  23 62 o -0.1442000     1.780000      ?             ?      
1 1 1 4  23 63 o 5.217000       1.585000      ?             ?      
1 1 1 4  23 64 o 1.589000       1.338000      ?             ?      
1 1 1 4  23 65 o 3.497000       1.476000      ?             ?      
1 1 1 4  23 66 o 2.405000       1.738000      ?             ?      
1 1 1 4  23 67 o 0.3442000      1.727000      ?             ?      
1 1 1 4  23 68 o 1.637000       1.710000      ?             ?      
1 1 1 4  23 69 o 1.789000       1.696000      ?             ?      
1 1 1 4  23 70 o 6.525000       1.602000      ?             ?      
1 1 1 4  23 71 o 1.618000       1.397000      ?             ?      
1 1 1 4  23 72 o 5.969000       1.452000      ?             ?      
1 1 1 4  24 0  o 155.6000       4.475000      1518.526      -0.0   
1 1 1 4  24 1  o 90.36000       1.919000      1599.435      -139.6 
1 1 1 4  24 2  o 36.99000       0.9546000     986.9713      119.8  
1 1 1 4  24 3  o 183.1000       3.691000      1718.644      -40.2  
1 1 1 4  24 4  o 14.99000       0.6335000     766.2661      33.6   
1 1 1 4  24 5  o 144.2000       3.752000      1454.345      166.5  
1 1 1 4  24 6  o 42.21000       1.291000      912.6567      -67.1  
1 1 1 4  24 7  o 25.04000       0.9115000     510.1551      128.8  
1 1 1 4  24 8  o 15.64000       0.6744000     715.1239      -128.8 
1 1 1 4  24 9  o 267.2000       6.477000      2214.838      90.5   
1 1 1 4  24 10 o 64.15000       1.823000      1190.016      -168.9 
1 1 1 4  24 11 o 167.0000       4.414000      1875.696      11.3   
1 1 1 4  24 12 o 20.37000       1.024000      585.3043      -40.5  
1 1 1 4  24 13 o 78.33000       2.314000      1523.381      -175.1 
1 1 1 4  24 14 o 175.8000       4.689000      1845.764      124.8  
1 1 1 4  24 15 o 230.2000       6.554000      1930.543      -43.4  
1 1 1 4  24 16 o 250.0000       7.351000      2210.533      -64.0  
1 1 1 4  24 17 o 73.12000       1.982000      1365.121      114.8  
1 1 1 4  24 18 o 47.65000       1.403000      725.5209      8.4    
1 1 1 4  24 19 o 22.69000       0.9133000     680.2437      -51.4  
1 1 1 4  24 20 o 153.4000       3.501000      1957.598      42.1   
1 1 1 4  24 21 o 205.6000       4.567000      2227.660      -151.0 
1 1 1 4  24 22 o 34.41000       1.162000      1153.592      -161.0 
1 1 1 4  24 23 o 84.32000       2.720000      1227.683      34.1   
1 1 1 4  24 24 o 214.1000       5.771000      1867.818      -151.9 
1 1 1 4  24 25 o 320.4000       6.476000      2436.330      -78.2  
1 1 1 4  24 26 o 1.167000       0.8852000     312.4938      45.6   
1 1 1 4  24 27 o 144.6000       3.116000      1627.583      18.7   
1 1 1 4  24 28 o 26.24000       1.228000      648.8053      -24.1  
1 1 1 4  24 29 o 64.60000       2.192000      1174.597      -6.9   
1 1 1 4  24 30 o 21.04000       1.242000      819.7153      -136.5 
1 1 1 4  24 31 o 41.02000       1.423000      1042.419      -46.8  
1 1 1 4  24 32 o 36.62000       1.235000      795.7883      6.5    
1 1 1 4  24 33 o 24.31000       1.074000      533.5785      -131.4 
1 1 1 4  24 34 o 18.15000       1.015000      662.5776      97.5   
1 1 1 4  24 35 o 26.07000       1.138000      695.6190      -97.6  
1 1 1 4  24 36 o 153.7000       3.353000      1717.525      117.4  
1 1 1 4  24 37 o 46.37000       1.455000      975.2572      -17.0  
1 1 1 4  24 38 o 155.9000       3.413000      ?             ?      
1 1 1 4  24 39 o 38.91000       1.494000      819.9764      -2.1   
1 1 1 4  24 40 o 21.62000       1.418000      860.7730      -172.0 
1 1 1 4  24 41 o 35.28000       1.507000      753.7213      -77.2  
1 1 1 4  24 42 o 35.35000       1.370000      776.0341      -15.4  
1 1 1 4  24 43 o 8.172000       1.093000      489.2605      105.8  
1 1 1 4  24 44 o 92.30000       2.346000      ?             ?      
1 1 1 4  24 45 o 17.86000       1.239000      603.9274      -98.5  
1 1 1 4  24 46 o 22.65000       1.464000      556.3504      -41.1  
1 1 1 4  24 47 o 3.673000       1.676000      258.5847      64.8   
1 1 1 4  24 48 o 31.49000       1.627000      748.5527      104.9  
1 1 1 4  24 49 o 56.16000       1.856000      1115.900      154.4  
1 1 1 4  24 50 o 40.17000       1.642000      885.8938      -8.9   
1 1 1 4  24 51 o 6.300000       1.319000      261.4565      79.6   
1 1 1 4  24 52 o 22.26000       1.470000      732.3591      84.9   
1 1 1 4  24 53 o 3.756000       1.329000      291.7802      51.1   
1 1 1 4  24 54 o 7.094000       1.517000      367.9877      -94.0  
1 1 1 4  24 55 o 4.599000       1.756000      455.7783      51.7   
1 1 1 4  24 56 o 9.736000       1.547000      ?             ?      
1 1 1 4  24 57 o 32.08000       1.625000      ?             ?      
1 1 1 4  24 58 o 17.55000       1.456000      ?             ?      
1 1 1 4  24 59 o 2.516000       1.304000      ?             ?      
1 1 1 4  24 60 o 5.496000       1.299000      ?             ?      
1 1 1 4  24 61 o 5.914000       1.311000      ?             ?      
1 1 1 4  24 62 o 6.540000       1.596000      ?             ?      
1 1 1 4  24 63 o 5.397000       1.835000      ?             ?      
1 1 1 4  24 64 o 7.239000       1.618000      ?             ?      
1 1 1 4  24 65 o -0.7399000     1.684000      ?             ?      
1 1 1 4  24 66 o 2.608000       1.466000      ?             ?      
1 1 1 4  24 67 o -1.326000      1.328000      ?             ?      
1 1 1 4  24 68 o 3.434000       1.544000      ?             ?      
1 1 1 4  24 69 o 2.982000       1.565000      ?             ?      
1 1 1 4  24 70 o 3.969000       1.412000      ?             ?      
1 1 1 4  24 71 o 3.204000       1.414000      ?             ?      
1 1 1 4  24 72 o 1.619000       1.561000      ?             ?      
1 1 1 4  25 0  o 6.352000       0.8562000     852.5326      -0.0   
1 1 1 4  25 1  o 130.7000       2.694000      1621.957      46.5   
1 1 1 4  25 2  o 29.01000       0.8559000     877.1943      -71.6  
1 1 1 4  25 3  o 95.90000       2.191000      1571.415      -2.8   
1 1 1 4  25 4  o 96.71000       2.370000      1833.165      -92.8  
1 1 1 4  25 5  o 88.52000       2.437000      1351.908      95.4   
1 1 1 4  25 6  o 172.6000       4.247000      2219.938      -52.9  
1 1 1 4  25 7  o 25.20000       0.7582000     1001.916      -144.3 
1 1 1 4  25 8  o 11.95000       0.6288000     678.6068      -11.0  
1 1 1 4  25 9  o 1.225000       0.6184000     346.8030      -17.2  
1 1 1 4  25 10 o 29.71000       1.151000      807.3098      155.5  
1 1 1 4  25 11 o 12.09000       0.9102000     615.4258      -45.9  
1 1 1 4  25 12 o 85.30000       2.508000      2050.896      -146.9 
1 1 1 4  25 13 o 101.1000       2.873000      1008.736      23.6   
1 1 1 4  25 14 f 156.2000       3.944000      1473.174      27.8   
1 1 1 4  25 15 o 140.2000       3.656000      1723.098      -137.1 
1 1 1 4  25 16 o 162.1000       3.874000      1891.688      22.7   
1 1 1 4  25 17 o 103.7000       3.312000      1452.583      3.0    
1 1 1 4  25 18 o 4.059000       0.7156000     274.0670      -55.0  
1 1 1 4  25 19 o 76.72000       2.540000      1302.898      -90.3  
1 1 1 4  25 20 o 148.5000       3.784000      1403.358      -155.6 
1 1 1 4  25 21 o 2.479000       0.7065000     290.7824      -99.3  
1 1 1 4  25 22 o 26.21000       1.161000      951.0841      14.5   
1 1 1 4  25 23 o 127.4000       3.856000      1678.956      1.1    
1 1 1 4  25 24 o 33.88000       1.383000      784.9197      -18.5  
1 1 1 4  25 25 o 1.842000       0.8120000     169.2202      -52.8  
1 1 1 4  25 26 o 7.461000       0.8513000     788.8376      3.2    
1 1 1 4  25 27 o 61.53000       1.606000      1031.885      77.2   
1 1 1 4  25 28 o 92.48000       2.362000      1677.721      66.6   
1 1 1 4  25 29 o 5.469000       1.053000      440.3970      -61.1  
1 1 1 4  25 30 o 63.77000       2.140000      1039.142      12.5   
1 1 1 4  25 31 o 39.11000       1.643000      1028.994      -107.5 
1 1 1 4  25 32 o 21.77000       1.124000      878.7713      -170.6 
1 1 1 4  25 33 o 12.15000       0.9310000     683.4460      58.1   
1 1 1 4  25 34 o 88.99000       2.134000      1208.535      -141.8 
1 1 1 4  25 35 o 45.58000       1.411000      987.0951      150.0  
1 1 1 4  25 36 o 15.36000       1.025000      456.6368      97.9   
1 1 1 4  25 37 o 26.61000       1.167000      809.1216      27.6   
1 1 1 4  25 38 o 142.6000       3.185000      ?             ?      
1 1 1 4  25 39 o 30.82000       1.378000      701.0910      70.9   
1 1 1 4  25 40 o 28.41000       1.366000      793.9659      10.6   
1 1 1 4  25 41 o 7.698000       1.041000      463.1997      -18.5  
1 1 1 4  25 42 o 20.46000       1.178000      510.4808      -46.7  
1 1 1 4  25 43 o 4.299000       1.073000      159.3849      58.8   
1 1 1 4  25 44 o 1.763000       1.105000      286.0595      160.2  
1 1 1 4  25 45 o 24.14000       1.375000      761.9852      60.8   
1 1 1 4  25 46 o -0.3064000     1.241000      146.3622      -28.5  
1 1 1 4  25 47 o 21.85000       1.881000      633.0552      -141.4 
1 1 1 4  25 48 o 8.642000       1.786000      428.7181      -146.8 
1 1 1 4  25 49 o 31.13000       1.671000      656.3521      -164.3 
1 1 1 4  25 50 o 30.66000       1.537000      822.4079      35.8   
1 1 1 4  25 51 o 5.546000       1.326000      416.9094      -90.8  
1 1 1 4  25 52 o 4.663000       1.329000      265.0891      -171.0 
1 1 1 4  25 53 o 5.352000       1.340000      366.1635      158.0  
1 1 1 4  25 54 o 3.341000       1.474000      218.8760      -154.1 
1 1 1 4  25 55 o 7.394000       1.535000      ?             ?      
1 1 1 4  25 56 o 0.1932000      1.323000      ?             ?      
1 1 1 4  25 57 o 14.56000       1.422000      ?             ?      
1 1 1 4  25 58 o 4.061000       1.324000      ?             ?      
1 1 1 4  25 59 o 3.969000       1.294000      ?             ?      
1 1 1 4  25 60 o 1.333000       1.275000      ?             ?      
1 1 1 4  25 61 o -1.196000      1.400000      ?             ?      
1 1 1 4  25 62 o 5.715000       1.842000      ?             ?      
1 1 1 4  25 63 f 8.388000       1.851000      ?             ?      
1 1 1 4  25 64 o 5.009000       2.069000      ?             ?      
1 1 1 4  25 65 o 0.8955000      1.311000      ?             ?      
1 1 1 4  25 66 o 3.294000       1.331000      ?             ?      
1 1 1 4  25 67 o 3.385000       1.511000      ?             ?      
1 1 1 4  25 68 o 1.367000       1.546000      ?             ?      
1 1 1 4  25 69 o -0.2463000     1.555000      ?             ?      
1 1 1 4  25 70 o -0.5146000     1.376000      ?             ?      
1 1 1 4  26 0  o 9.380000       1.170000      197.6203      0.0    
1 1 1 4  26 1  o 14.63000       0.7114000     622.5033      94.3   
1 1 1 4  26 2  o 109.1000       2.305000      1618.831      78.2   
1 1 1 4  26 3  o 73.91000       1.761000      1475.651      -32.8  
1 1 1 4  26 4  o 52.54000       1.595000      1137.979      141.1  
1 1 1 4  26 5  o 35.60000       1.539000      1129.816      96.2   
1 1 1 4  26 6  o 4.806000       0.5931000     529.2900      -18.9  
1 1 1 4  26 7  o 267.4000       5.057000      2214.583      -19.5  
1 1 1 4  26 8  o 3.135000       0.5293000     473.3531      118.4  
1 1 1 4  26 9  o 59.15000       1.775000      1256.443      15.7   
1 1 1 4  26 10 f 338.8000       8.141000      3096.684      -35.3  
1 1 1 4  26 11 o 2.386000       0.9095000     431.9695      93.7   
1 1 1 4  26 12 o 210.4000       5.241000      1970.209      145.8  
1 1 1 4  26 13 o 21.96000       1.152000      561.7900      -93.2  
1 1 1 4  26 14 o 119.8000       3.161000      1494.437      78.0   
1 1 1 4  26 15 o 135.0000       3.495000      1866.543      37.0   
1 1 1 4  26 16 o 98.81000       2.394000      1605.240      -103.2 
1 1 1 4  26 17 o 41.63000       1.270000      751.9079      -28.3  
1 1 1 4  26 18 o 30.11000       1.473000      920.5500      -3.1   
1 1 1 4  26 19 o 28.58000       1.082000      670.9094      127.0  
1 1 1 4  26 20 o 11.15000       0.7121000     608.4584      90.1   
1 1 1 4  26 21 o 11.72000       1.102000      292.0543      -6.3   
1 1 1 4  26 22 o 12.39000       1.103000      391.9801      73.0   
1 1 1 4  26 23 o 5.788000       0.8039000     280.6238      81.3   
1 1 1 4  26 24 o 62.78000       1.825000      1033.102      161.1  
1 1 1 4  26 25 o 9.812000       0.8461000     411.8452      13.3   
1 1 1 4  26 26 o 68.72000       1.721000      1342.294      66.0   
1 1 1 4  26 27 o 73.23000       1.964000      1370.516      110.3  
1 1 1 4  26 28 o 5.648000       0.8431000     605.9952      -159.2 
1 1 1 4  26 29 o 2.914000       0.9176000     182.8183      75.2   
1 1 1 4  26 30 o 19.98000       1.190000      683.4822      -12.8  
1 1 1 4  26 31 o 2.740000       1.251000      323.7937      56.9   
1 1 1 4  26 32 o 8.179000       0.9613000     367.5812      -27.4  
1 1 1 4  26 33 o 87.56000       2.096000      1332.622      -156.9 
1 1 1 4  26 34 o 16.05000       0.9989000     730.8401      -48.6  
1 1 1 4  26 35 o 20.60000       1.046000      756.1749      -91.2  
1 1 1 4  26 36 o 52.47000       1.534000      1092.895      147.0  
1 1 1 4  26 37 o 36.29000       1.303000      935.9310      -59.9  
1 1 1 4  26 38 o 7.156000       1.053000      386.4518      176.4  
1 1 1 4  26 39 o 6.909000       1.213000      233.5848      3.3    
1 1 1 4  26 40 o 5.764000       1.094000      379.5060      63.7   
1 1 1 4  26 41 o 4.384000       1.006000      437.2443      28.2   
1 1 1 4  26 42 o 10.64000       1.081000      348.3136      -145.4 
1 1 1 4  26 43 o 30.87000       1.340000      649.0901      -156.8 
1 1 1 4  26 44 o 15.18000       1.188000      517.5275      -140.5 
1 1 1 4  26 45 o 2.329000       1.135000      337.1179      54.9   
1 1 1 4  26 46 o 12.13000       1.232000      372.5845      -2.4   
1 1 1 4  26 47 o 43.30000       1.791000      881.7867      67.2   
1 1 1 4  26 48 o 4.882000       1.659000      345.1561      -20.5  
1 1 1 4  26 49 o 4.962000       1.422000      331.3296      -173.7 
1 1 1 4  26 50 o 7.282000       1.326000      492.6801      -14.6  
1 1 1 4  26 51 o 16.13000       1.409000      628.9136      178.4  
1 1 1 4  26 52 o 6.268000       1.333000      306.1258      17.7   
1 1 1 4  26 53 o 18.58000       1.599000      597.2868      -6.5   
1 1 1 4  26 54 o 8.366000       1.732000      384.2253      -80.3  
1 1 1 4  26 55 o 0.6098000      1.461000      ?             ?      
1 1 1 4  26 56 f 11.17000       1.362000      ?             ?      
1 1 1 4  26 57 o 6.667000       1.339000      ?             ?      
1 1 1 4  26 58 o 19.05000       1.431000      ?             ?      
1 1 1 4  26 59 o 5.187000       1.405000      ?             ?      
1 1 1 4  26 60 o 5.739000       1.545000      ?             ?      
1 1 1 4  26 61 o 3.965000       1.754000      ?             ?      
1 1 1 4  26 62 o 6.765000       1.458000      ?             ?      
1 1 1 4  26 63 o 5.433000       1.591000      ?             ?      
1 1 1 4  26 64 o 0.2954000      1.792000      ?             ?      
1 1 1 4  26 65 o -0.9531000     1.427000      ?             ?      
1 1 1 4  26 66 o -2.211000      1.321000      ?             ?      
1 1 1 4  26 67 o -0.2348000     1.516000      ?             ?      
1 1 1 4  26 68 o 2.520000       1.552000      ?             ?      
1 1 1 4  26 69 o 2.182000       1.389000      ?             ?      
1 1 1 4  26 70 o 5.560000       1.426000      ?             ?      
1 1 1 4  27 0  o 4.374000       0.9987000     412.3460      -180.0 
1 1 1 4  27 1  o 2.851000       0.6928000     462.2264      -170.1 
1 1 1 4  27 2  o 271.1000       5.846000      2319.591      -79.9  
1 1 1 4  27 3  o 65.53000       1.757000      1166.921      -136.9 
1 1 1 4  27 4  o 40.56000       1.322000      903.8470      78.1   
1 1 1 4  27 5  o 24.60000       0.8951000     572.2144      6.4    
1 1 1 4  27 6  o 41.27000       1.098000      876.3550      132.9  
1 1 1 4  27 7  o 0.3480000E-01  0.7165000     289.8512      -14.6  
1 1 1 4  27 8  o 95.00000       2.239000      1413.173      71.9   
1 1 1 4  27 9  o 9.730000       0.6319000     559.8710      125.0  
1 1 1 4  27 10 o 78.77000       2.231000      1334.048      -43.7  
1 1 1 4  27 11 o 12.50000       1.125000      480.9788      103.8  
1 1 1 4  27 12 o 203.5000       5.117000      1853.346      156.1  
1 1 1 4  27 13 o 4.546000       0.9927000     456.1832      -36.4  
1 1 1 4  27 14 o 10.53000       1.040000      738.4705      -19.1  
1 1 1 4  27 15 o 6.721000       1.137000      520.5854      -173.9 
1 1 1 4  27 16 o 28.13000       1.323000      957.8958      9.4    
1 1 1 4  27 17 o 38.04000       1.504000      996.8764      -70.6  
1 1 1 4  27 18 o 55.20000       1.520000      1052.309      -84.3  
1 1 1 4  27 19 o 14.43000       1.179000      446.7336      -142.1 
1 1 1 4  27 20 o 35.74000       1.526000      970.1536      69.1   
1 1 1 4  27 21 o 25.14000       1.537000      660.4999      -106.0 
1 1 1 4  27 22 o 19.45000       0.9470000     819.6262      -141.4 
1 1 1 4  27 23 o 57.13000       1.820000      1085.063      45.6   
1 1 1 4  27 24 o 11.32000       0.8172000     220.6756      10.6   
1 1 1 4  27 25 o 10.32000       0.8335000     461.4633      111.4  
1 1 1 4  27 26 o 6.358000       0.8252000     600.0582      -2.6   
1 1 1 4  27 27 o 21.57000       1.000000      518.9036      65.7   
1 1 1 4  27 28 o 0.6948000      0.8193000     29.45141      -134.8 
1 1 1 4  27 29 o 18.08000       1.032000      762.2679      -30.2  
1 1 1 4  27 30 o 8.962000       1.039000      507.1052      -72.9  
1 1 1 4  27 31 o 13.86000       1.315000      471.1303      -75.7  
1 1 1 4  27 32 o 26.97000       1.325000      617.4656      42.6   
1 1 1 4  27 33 o 43.75000       1.470000      865.5897      80.6   
1 1 1 4  27 34 o 38.52000       1.264000      939.6595      -78.4  
1 1 1 4  27 35 o 39.02000       1.320000      857.4998      -7.6   
1 1 1 4  27 36 o 2.157000       0.9068000     269.5358      101.5  
1 1 1 4  27 37 o 3.817000       0.9410000     318.6561      6.3    
1 1 1 4  27 38 o 33.51000       1.501000      759.4605      141.2  
1 1 1 4  27 39 o 4.796000       1.078000      439.6357      45.5   
1 1 1 4  27 40 o 7.659000       1.008000      414.6836      -15.5  
1 1 1 4  27 41 o 51.19000       1.586000      1012.859      -78.9  
1 1 1 4  27 42 o 2.198000       1.032000      115.1703      28.4   
1 1 1 4  27 43 o 0.7093000      1.065000      103.3085      11.4   
1 1 1 4  27 44 o 25.96000       1.326000      580.0883      125.4  
1 1 1 4  27 45 o 0.6299000      1.143000      180.8112      117.8  
1 1 1 4  27 46 o 5.459000       1.198000      265.5989      -27.8  
1 1 1 4  27 47 o 14.49000       1.416000      449.2187      119.9  
1 1 1 4  27 48 o 14.69000       1.853000      454.9597      -152.9 
1 1 1 4  27 49 o 8.567000       1.860000      415.1918      71.9   
1 1 1 4  27 50 o 28.38000       1.679000      780.0147      -63.3  
1 1 1 4  27 51 o 7.925000       1.342000      462.8085      -153.0 
1 1 1 4  27 52 o -2.416000      1.302000      26.84995      -42.5  
1 1 1 4  27 53 o -0.2141000E-01 1.440000      89.22425      -126.4 
1 1 1 4  27 54 o 8.074000       1.718000      ?             ?      
1 1 1 4  27 55 o 3.016000       1.305000      ?             ?      
1 1 1 4  27 56 o 15.35000       1.395000      ?             ?      
1 1 1 4  27 57 o 1.638000       1.424000      ?             ?      
1 1 1 4  27 58 o 2.634000       1.506000      ?             ?      
1 1 1 4  27 59 o 2.759000       1.663000      ?             ?      
1 1 1 4  27 60 o 5.162000       1.429000      ?             ?      
1 1 1 4  27 61 o 3.792000       1.326000      ?             ?      
1 1 1 4  27 62 o 2.501000       1.307000      ?             ?      
1 1 1 4  27 63 o 4.499000       1.458000      ?             ?      
1 1 1 4  27 64 o -0.4490000     1.772000      ?             ?      
1 1 1 4  27 65 o 0.4123000      1.795000      ?             ?      
1 1 1 4  27 66 o 5.545000       1.524000      ?             ?      
1 1 1 4  27 67 o 1.589000       1.508000      ?             ?      
1 1 1 4  27 68 o 1.188000       1.526000      ?             ?      
1 1 1 4  27 69 o -0.2642000E-01 1.369000      ?             ?      
1 1 1 4  27 70 o -0.9044000     1.377000      ?             ?      
1 1 1 4  28 0  o 100.2000       3.093000      1398.501      0.0    
1 1 1 4  28 1  o 0.7443000      0.7483000     66.83001      -155.4 
1 1 1 4  28 2  o 10.47000       0.8357000     521.6068      137.9  
1 1 1 4  28 3  o 49.72000       1.618000      908.2966      -46.1  
1 1 1 4  28 4  o 23.24000       1.097000      606.2518      40.8   
1 1 1 4  28 5  o 64.25000       1.626000      1017.570      76.9   
1 1 1 4  28 6  o 71.52000       1.646000      799.8436      -33.6  
1 1 1 4  28 7  o 24.16000       0.8535000     790.1916      -158.8 
1 1 1 4  28 8  o 64.54000       1.665000      970.0677      86.5   
1 1 1 4  28 9  o 64.56000       1.787000      1047.291      -9.9   
1 1 1 4  28 10 o 18.33000       1.204000      792.7743      16.7   
1 1 1 4  28 11 o 4.444000       1.015000      226.5634      136.6  
1 1 1 4  28 12 o 55.21000       1.919000      965.1528      -157.8 
1 1 1 4  28 13 o 18.46000       1.151000      892.3675      -37.1  
1 1 1 4  28 14 o 1.490000       1.008000      225.4931      51.4   
1 1 1 4  28 15 o 11.31000       1.095000      488.8117      -8.3   
1 1 1 4  28 16 o 73.55000       2.191000      1478.658      -70.3  
1 1 1 4  28 17 o 139.7000       3.681000      1360.526      51.3   
1 1 1 4  28 18 o 35.39000       1.442000      810.3589      100.1  
1 1 1 4  28 19 o 34.90000       1.255000      941.2756      55.6   
1 1 1 4  28 20 o 74.50000       2.546000      1317.352      1.4    
1 1 1 4  28 21 o 5.116000       1.103000      85.38713      167.1  
1 1 1 4  28 22 o -0.9090000     0.6767000     339.2897      60.3   
1 1 1 4  28 23 o 71.09000       1.852000      1052.035      133.4  
1 1 1 4  28 24 o 31.58000       1.126000      800.4799      105.9  
1 1 1 4  28 25 o 5.086000       0.7508000     432.6492      -33.7  
1 1 1 4  28 26 o 22.03000       1.119000      683.8192      103.7  
1 1 1 4  28 27 o 7.478000       0.8165000     198.1151      58.9   
1 1 1 4  28 28 o 22.12000       1.201000      849.2862      5.6    
1 1 1 4  28 29 o 10.43000       0.8720000     425.3510      27.1   
1 1 1 4  28 30 o 30.43000       1.254000      706.0569      95.2   
1 1 1 4  28 31 o 36.89000       1.570000      749.8651      160.9  
1 1 1 4  28 32 o 0.1575000      1.253000      130.2596      -27.8  
1 1 1 4  28 33 o 12.21000       1.120000      581.0222      80.6   
1 1 1 4  28 34 o 13.55000       0.9511000     442.9848      79.1   
1 1 1 4  28 35 o 26.21000       1.129000      855.6696      -167.3 
1 1 1 4  28 36 o 12.26000       0.9646000     464.1770      83.3   
1 1 1 4  28 37 o 27.95000       1.288000      653.9701      -68.1  
1 1 1 4  28 38 o -2.017000      1.120000      208.9996      1.9    
1 1 1 4  28 39 o -0.4133000     1.040000      116.6140      -121.6 
1 1 1 4  28 40 o 17.87000       1.125000      496.4340      -126.3 
1 1 1 4  28 41 o 0.2376000      1.012000      153.4746      -16.4  
1 1 1 4  28 42 o 0.6763000      1.050000      225.1741      -102.4 
1 1 1 4  28 43 o 34.00000       1.417000      631.1987      175.5  
1 1 1 4  28 44 o 12.39000       1.199000      518.4360      102.2  
1 1 1 4  28 45 o 6.011000       1.187000      309.9582      97.7   
1 1 1 4  28 46 o 0.6869000      1.192000      93.88289      -18.7  
1 1 1 4  28 47 o 7.627000       1.249000      441.9305      -113.3 
1 1 1 4  28 48 o 1.973000       1.361000      227.2645      -76.0  
1 1 1 4  28 49 o 3.280000       1.746000      123.5457      -42.7  
1 1 1 4  28 50 o 2.153000       1.573000      175.0844      135.4  
1 1 1 4  28 51 o 21.07000       1.460000      720.7855      -36.5  
1 1 1 4  28 52 o 2.551000       1.471000      167.3359      165.2  
1 1 1 4  28 53 o 5.396000       1.737000      249.2242      -24.4  
1 1 1 4  28 54 o 6.288000       1.489000      ?             ?      
1 1 1 4  28 55 o 0.2319000      1.408000      ?             ?      
1 1 1 4  28 56 o 1.377000       1.413000      ?             ?      
1 1 1 4  28 57 f 0.9496000      1.672000      ?             ?      
1 1 1 4  28 58 o 0.4205000      1.362000      ?             ?      
1 1 1 4  28 59 o 2.156000       1.251000      ?             ?      
1 1 1 4  28 60 o -0.9090000     1.262000      ?             ?      
1 1 1 4  28 61 o 0.5814000      1.276000      ?             ?      
1 1 1 4  28 62 o 1.635000       1.290000      ?             ?      
1 1 1 4  28 63 o 4.347000       1.321000      ?             ?      
1 1 1 4  28 64 o -3.080000      1.543000      ?             ?      
1 1 1 4  28 65 f 4.333000       1.843000      ?             ?      
1 1 1 4  28 66 o -0.5648000     1.688000      ?             ?      
1 1 1 4  28 67 o 2.072000       1.518000      ?             ?      
1 1 1 4  28 68 o 0.3750000      1.363000      ?             ?      
1 1 1 4  28 69 o 2.417000       1.378000      ?             ?      
1 1 1 4  28 70 o 3.857000       1.403000      ?             ?      
1 1 1 4  29 0  o 55.98000       2.069000      1036.850      -0.0   
1 1 1 4  29 1  o 3.898000       0.8532000     357.6321      -178.1 
1 1 1 4  29 2  o 8.474000       0.9313000     513.9933      52.7   
1 1 1 4  29 3  o 17.24000       1.016000      646.0828      148.9  
1 1 1 4  29 4  o 0.4114000      0.7915000     508.1430      -178.2 
1 1 1 4  29 5  o 18.78000       0.8469000     496.1721      122.7  
1 1 1 4  29 6  o 1.107000       0.6895000     247.2587      131.5  
1 1 1 4  29 7  o 47.42000       1.553000      955.0491      48.8   
1 1 1 4  29 8  o 12.09000       0.7004000     511.3708      112.1  
1 1 1 4  29 9  o -0.5560000     0.6218000     79.81698      22.0   
1 1 1 4  29 10 o 7.515000       1.036000      752.3209      -55.0  
1 1 1 4  29 11 o 10.22000       1.100000      500.2340      148.7  
1 1 1 4  29 12 o 0.8666000      1.025000      173.5959      67.5   
1 1 1 4  29 13 o 51.42000       1.746000      1130.163      -21.1  
1 1 1 4  29 14 o 31.90000       1.385000      829.2938      97.8   
1 1 1 4  29 15 o 21.04000       1.231000      672.7042      3.8    
1 1 1 4  29 16 o 12.98000       1.110000      340.3256      -7.0   
1 1 1 4  29 17 o 5.103000       1.022000      282.4308      123.9  
1 1 1 4  29 18 o 1.235000       0.8838000     227.1664      -72.2  
1 1 1 4  29 19 o 6.730000       0.9149000     255.3689      116.3  
1 1 1 4  29 20 o 40.29000       1.778000      877.9089      152.9  
1 1 1 4  29 21 o 12.09000       1.275000      513.7389      -145.1 
1 1 1 4  29 22 o 9.527000       0.6834000     373.4444      -19.7  
1 1 1 4  29 23 o 25.50000       0.9655000     618.0935      37.4   
1 1 1 4  29 24 o -0.1955000     0.6406000     257.4768      -124.8 
1 1 1 4  29 25 o 5.631000       0.6939000     268.2220      50.5   
1 1 1 4  29 26 o 2.511000       0.7009000     176.4611      104.6  
1 1 1 4  29 27 o 5.722000       0.7420000     421.6639      161.2  
1 1 1 4  29 28 o 6.967000       0.8041000     376.0407      170.6  
1 1 1 4  29 29 o 11.17000       0.8898000     432.0125      -70.4  
1 1 1 4  29 30 o 10.24000       0.8759000     324.9081      -100.0 
1 1 1 4  29 31 o 2.584000       1.127000      153.1830      -118.9 
1 1 1 4  29 32 o 0.2237000      0.9365000     56.36148      -86.0  
1 1 1 4  29 33 o 0.9153000      1.120000      177.6486      157.3  
1 1 1 4  29 34 o 8.805000       1.042000      463.0453      -28.6  
1 1 1 4  29 35 o 8.112000       0.9094000     413.4838      -9.8   
1 1 1 4  29 36 o 3.631000       0.8967000     163.6899      120.2  
1 1 1 4  29 37 o 3.590000       0.9851000     216.6985      -5.1   
1 1 1 4  29 38 o 7.725000       1.069000      364.6931      67.9   
1 1 1 4  29 39 o 45.41000       1.485000      852.2418      -12.0  
1 1 1 4  29 40 o 3.101000       1.006000      271.8921      -32.6  
1 1 1 4  29 41 o 15.11000       1.118000      479.4383      -33.3  
1 1 1 4  29 42 o 8.191000       1.103000      329.2431      -152.0 
1 1 1 4  29 43 o 6.600000       1.128000      215.7757      -108.4 
1 1 1 4  29 44 o 6.737000       1.155000      264.7676      -152.4 
1 1 1 4  29 45 o 3.321000       1.163000      177.6420      -49.1  
1 1 1 4  29 46 o 11.64000       1.249000      429.6275      -25.6  
1 1 1 4  29 47 o 10.66000       1.267000      356.5701      -128.0 
1 1 1 4  29 48 o 5.887000       1.387000      384.9420      -52.7  
1 1 1 4  29 49 o 15.52000       1.939000      437.1396      118.7  
1 1 1 4  29 50 o 4.024000       1.851000      214.6109      -40.2  
1 1 1 4  29 51 o -0.2594000     1.464000      169.5291      66.1   
1 1 1 4  29 52 o 3.070000       1.479000      276.1559      60.0   
1 1 1 4  29 53 o 9.291000       1.776000      ?             ?      
1 1 1 4  29 54 o 5.181000       1.478000      ?             ?      
1 1 1 4  29 55 o 2.905000       1.714000      ?             ?      
1 1 1 4  29 56 o 1.834000       1.381000      ?             ?      
1 1 1 4  29 57 o 2.022000       1.242000      ?             ?      
1 1 1 4  29 58 o 3.364000       1.245000      ?             ?      
1 1 1 4  29 59 o 1.240000       1.245000      ?             ?      
1 1 1 4  29 60 o 2.442000       1.258000      ?             ?      
1 1 1 4  29 61 o 1.017000       1.270000      ?             ?      
1 1 1 4  29 62 o 4.953000       1.307000      ?             ?      
1 1 1 4  29 63 o 1.758000       1.291000      ?             ?      
1 1 1 4  29 64 o 0.8416000E-01  1.416000      ?             ?      
1 1 1 4  29 65 o -2.391000      2.342000      ?             ?      
1 1 1 4  29 66 o -2.081000      2.628000      ?             ?      
1 1 1 4  29 67 o -0.9306000     1.507000      ?             ?      
1 1 1 4  29 68 o 2.183000       1.895000      ?             ?      
1 1 1 4  29 69 o 0.7596000      1.358000      ?             ?      
1 1 1 4  30 0  o 17.51000       1.402000      449.9845      -0.0   
1 1 1 4  30 1  o 5.718000       1.037000      83.03331      35.3   
1 1 1 4  30 2  o 17.86000       1.137000      581.9934      -127.0 
1 1 1 4  30 3  o 15.89000       1.431000      495.4518      -82.5  
1 1 1 4  30 4  o 17.97000       0.9594000     487.0911      62.4   
1 1 1 4  30 5  o 21.68000       0.9723000     590.1789      162.8  
1 1 1 4  30 6  o 4.149000       0.7340000     122.4220      151.3  
1 1 1 4  30 7  o -0.2551000E-01 0.8744000     120.2521      -159.5 
1 1 1 4  30 8  o 12.26000       0.7893000     451.7068      73.6   
1 1 1 4  30 9  o 49.03000       1.388000      730.4040      21.5   
1 1 1 4  30 10 o 2.135000       0.7682000     122.4522      -96.6  
1 1 1 4  30 11 o 6.883000       1.082000      356.3951      -75.5  
1 1 1 4  30 12 o 46.62000       1.758000      862.6418      140.9  
1 1 1 4  30 13 o 6.550000       1.070000      141.5582      -53.1  
1 1 1 4  30 14 o 23.00000       1.275000      273.6414      42.9   
1 1 1 4  30 15 o 5.635000       1.052000      245.6833      -4.4   
1 1 1 4  30 16 o 3.348000       1.034000      82.19495      110.2  
1 1 1 4  30 17 o 0.2298000      1.009000      316.7768      156.8  
1 1 1 4  30 18 o 6.702000       1.063000      315.7785      -6.7   
1 1 1 4  30 19 o 17.22000       1.183000      555.4774      78.8   
1 1 1 4  30 20 o 0.8129000      0.9132000     44.44500      -117.9 
1 1 1 4  30 21 o 2.534000       1.044000      200.8942      -147.9 
1 1 1 4  30 22 o 4.918000       0.9677000     213.4193      22.0   
1 1 1 4  30 23 o 5.687000       0.5798000     269.5732      85.5   
1 1 1 4  30 24 o 3.381000       0.6267000     293.4724      -23.8  
1 1 1 4  30 25 o 4.633000       0.6519000     149.3008      76.0   
1 1 1 4  30 26 o 3.479000       0.8943000     385.1054      -163.8 
1 1 1 4  30 27 o 1.426000       0.6859000     244.0009      -37.0  
1 1 1 4  30 28 o 13.23000       0.8625000     299.6449      47.2   
1 1 1 4  30 29 o 4.859000       0.7563000     179.7396      106.5  
1 1 1 4  30 30 o 4.814000       0.7908000     75.24992      -14.0  
1 1 1 4  30 31 o 1.253000       0.8951000     167.4474      -120.4 
1 1 1 4  30 32 o 9.672000       1.221000      411.6003      20.1   
1 1 1 4  30 33 o 6.079000       1.319000      298.8377      148.0  
1 1 1 4  30 34 o 10.88000       1.439000      376.0329      169.7  
1 1 1 4  30 35 f 6.160000       1.141000      414.1588      58.5   
1 1 1 4  30 36 o 10.65000       1.019000      345.8378      -15.5  
1 1 1 4  30 37 o 1.532000       1.080000      191.3704      -84.8  
1 1 1 4  30 38 o 11.56000       1.265000      349.0759      125.4  
1 1 1 4  30 39 o 16.45000       1.088000      550.8824      -157.3 
1 1 1 4  30 40 o 3.234000       0.9974000     208.7221      -148.8 
1 1 1 4  30 41 o 2.254000       1.014000      286.4760      -3.5   
1 1 1 4  30 42 o 2.017000       1.057000      63.03228      -135.1 
1 1 1 4  30 43 o 0.7944000E-01  1.094000      20.19082      -143.3 
1 1 1 4  30 44 o 3.715000       1.149000      251.0865      73.0   
1 1 1 4  30 45 o 3.412000       1.178000      179.6978      159.5  
1 1 1 4  30 46 f 1.643000       1.202000      96.84254      172.8  
1 1 1 4  30 47 o 3.250000       1.249000      84.79172      -140.1 
1 1 1 4  30 48 o 2.745000       1.257000      267.6500      55.2   
1 1 1 4  30 49 o 2.868000       1.397000      116.8857      102.8  
1 1 1 4  30 50 o 0.9029000      1.830000      124.3678      -121.2 
1 1 1 4  30 51 o 7.569000       2.528000      259.3142      12.7   
1 1 1 4  30 52 o 9.713000       2.491000      ?             ?      
1 1 1 4  30 53 o 2.446000       2.310000      ?             ?      
1 1 1 4  30 54 o 2.392000       1.418000      ?             ?      
1 1 1 4  30 55 f 4.507000       1.291000      ?             ?      
1 1 1 4  30 56 o -0.1240000E-02 1.241000      ?             ?      
1 1 1 4  30 57 o 1.952000       1.214000      ?             ?      
1 1 1 4  30 58 o -0.6349000     1.212000      ?             ?      
1 1 1 4  30 59 o 4.979000       1.246000      ?             ?      
1 1 1 4  30 60 o 4.435000       1.259000      ?             ?      
1 1 1 4  30 61 o -2.360000      1.248000      ?             ?      
1 1 1 4  30 62 o 0.7255000      1.260000      ?             ?      
1 1 1 4  30 63 o 2.207000       1.279000      ?             ?      
1 1 1 4  30 64 o -0.8470000     1.289000      ?             ?      
1 1 1 4  30 65 o 1.108000       1.648000      ?             ?      
1 1 1 4  30 66 o -2.922000      2.521000      ?             ?      
1 1 1 4  30 67 o 3.137000       1.484000      ?             ?      
1 1 1 4  30 68 o 2.331000       1.358000      ?             ?      
1 1 1 4  30 69 o 0.2014000      1.966000      ?             ?      
1 1 1 4  31 0  o 5.232000       1.505000      329.4503      -0.0   
1 1 1 4  31 1  o 26.49000       1.429000      429.0001      174.6  
1 1 1 4  31 2  o 4.446000       1.020000      120.6034      127.0  
1 1 1 4  31 3  o 6.947000       1.032000      198.6630      -119.7 
1 1 1 4  31 4  o 4.580000       0.8191000     300.5732      -60.3  
1 1 1 4  31 5  o 21.27000       1.029000      401.2913      107.3  
1 1 1 4  31 6  f 0.1409000      0.7311000     164.1471      -130.7 
1 1 1 4  31 7  o 6.005000       0.7224000     361.9917      13.9   
1 1 1 4  31 8  o 3.881000       0.6646000     167.9092      -133.1 
1 1 1 4  31 9  o 1.273000       0.6207000     373.3465      145.9  
1 1 1 4  31 10 o 2.874000       0.7457000     263.1960      106.3  
1 1 1 4  31 11 o 8.529000       1.084000      387.7747      -73.8  
1 1 1 4  31 12 o 0.7037000      1.021000      67.24345      68.6   
1 1 1 4  31 13 o 0.7321000      0.9976000     93.86366      -168.4 
1 1 1 4  31 14 o 1.704000       1.013000      53.29949      -104.1 
1 1 1 4  31 15 o 5.190000       1.032000      315.2182      28.8   
1 1 1 4  31 16 o 5.725000       1.092000      181.7007      77.4   
1 1 1 4  31 17 o 5.320000       1.058000      233.2170      132.2  
1 1 1 4  31 18 o 11.68000       0.9953000     394.1310      -94.5  
1 1 1 4  31 19 o 14.04000       1.631000      415.2028      -100.8 
1 1 1 4  31 20 o -0.4688000     1.068000      185.5466      128.1  
1 1 1 4  31 21 o 11.44000       1.169000      458.3580      0.0    
1 1 1 4  31 22 o 4.654000       0.8808000     97.13517      -156.4 
1 1 1 4  31 23 o 0.7254000      0.9173000     258.4193      48.2   
1 1 1 4  31 24 o 3.280000       0.5514000     288.6774      -146.5 
1 1 1 4  31 25 o 13.78000       1.193000      416.2561      -54.0  
1 1 1 4  31 26 o 9.928000       1.151000      340.6511      142.1  
1 1 1 4  31 27 o 3.903000       0.6826000     308.6307      -23.4  
1 1 1 4  31 28 o 2.789000       0.6984000     206.3241      -135.4 
1 1 1 4  31 29 o 6.579000       0.8009000     168.1237      -114.6 
1 1 1 4  31 30 o 6.113000       0.7724000     217.3170      -125.1 
1 1 1 4  31 31 o 12.36000       0.9230000     234.9000      154.2  
1 1 1 4  31 32 o 4.045000       0.8753000     238.5996      -47.0  
1 1 1 4  31 33 o 5.007000       1.028000      134.2685      92.7   
1 1 1 4  31 34 o 1.546000       1.772000      257.1469      45.6   
1 1 1 4  31 35 o 12.72000       1.609000      393.0791      -83.3  
1 1 1 4  31 36 o 8.004000       1.475000      308.5186      166.3  
1 1 1 4  31 37 o 4.759000       1.071000      332.3715      10.1   
1 1 1 4  31 38 o 4.617000       1.003000      274.9091      -38.6  
1 1 1 4  31 39 o 20.04000       1.236000      355.9242      -39.1  
1 1 1 4  31 40 o 4.069000       1.048000      166.7476      6.8    
1 1 1 4  31 41 o 1.474000       1.023000      107.1247      -75.7  
1 1 1 4  31 42 o 5.138000       1.067000      153.5648      -72.5  
1 1 1 4  31 43 o 3.256000       1.112000      131.4179      -32.8  
1 1 1 4  31 44 o 2.116000       1.155000      125.3559      131.6  
1 1 1 4  31 45 o 7.357000       1.227000      324.3655      -136.5 
1 1 1 4  31 46 o 13.98000       1.312000      333.9205      -106.0 
1 1 1 4  31 47 o 1.371000       1.241000      115.8182      -15.2  
1 1 1 4  31 48 o 2.432000       1.266000      95.34317      116.7  
1 1 1 4  31 49 o 10.61000       1.782000      287.1480      148.6  
1 1 1 4  31 50 o 4.687000       1.856000      84.73373      40.7   
1 1 1 4  31 51 o 0.7373000      2.467000      ?             ?      
1 1 1 4  31 52 o -1.533000      2.304000      ?             ?      
1 1 1 4  31 53 o 11.77000       1.386000      ?             ?      
1 1 1 4  31 54 f 4.969000       1.300000      ?             ?      
1 1 1 4  31 55 o -0.9926000     1.235000      ?             ?      
1 1 1 4  31 56 o 0.8935000      1.220000      ?             ?      
1 1 1 4  31 57 o 1.772000       1.222000      ?             ?      
1 1 1 4  31 58 o -2.105000      1.199000      ?             ?      
1 1 1 4  31 59 o 1.709000       1.243000      ?             ?      
1 1 1 4  31 60 o 0.1442000      1.244000      ?             ?      
1 1 1 4  31 61 o -1.328000      1.249000      ?             ?      
1 1 1 4  31 62 o 4.216000       1.286000      ?             ?      
1 1 1 4  31 63 o 1.185000       1.417000      ?             ?      
1 1 1 4  31 64 o 0.4468000      1.427000      ?             ?      
1 1 1 4  31 65 o 0.9782000      1.735000      ?             ?      
1 1 1 4  31 66 o 0.4536000E-01  2.456000      ?             ?      
1 1 1 4  31 67 o 2.967000       1.887000      ?             ?      
1 1 1 4  31 68 o 3.420000       1.534000      ?             ?      
1 1 1 4  32 0  o 0.7628000E-01  1.458000      92.45305      180.0  
1 1 1 4  32 1  o 8.244000       1.255000      233.0641      -135.8 
1 1 1 4  32 2  o 18.71000       1.326000      475.9464      -71.1  
1 1 1 4  32 3  o 6.025000       1.087000      198.2450      -78.3  
1 1 1 4  32 4  o 30.69000       1.359000      453.1473      -50.0  
1 1 1 4  32 5  o 9.670000       0.8571000     200.4824      5.0    
1 1 1 4  32 6  o 2.455000       0.7291000     104.8589      -61.2  
1 1 1 4  32 7  o 21.93000       1.052000      221.2158      31.9   
1 1 1 4  32 8  o 3.276000       0.7338000     175.4683      128.4  
1 1 1 4  32 9  o 0.4016000      0.6148000     98.83985      117.8  
1 1 1 4  32 10 o 3.502000       0.6564000     113.7518      -64.2  
1 1 1 4  32 11 o 7.793000       1.125000      171.9786      -11.5  
1 1 1 4  32 12 o 2.120000       1.022000      2.566580      -27.0  
1 1 1 4  32 13 o 8.725000       1.052000      260.6325      -162.8 
1 1 1 4  32 14 o -0.7014000     0.9931000     145.4848      -141.3 
1 1 1 4  32 15 o 1.726000       0.9873000     151.6765      52.7   
1 1 1 4  32 16 o 5.901000       1.022000      115.5269      -15.5  
1 1 1 4  32 17 o 16.82000       1.225000      227.4780      -169.6 
1 1 1 4  32 18 o 4.676000       1.394000      24.95420      148.2  
1 1 1 4  32 19 o 0.9018000      1.440000      55.55201      -21.1  
1 1 1 4  32 20 o 9.192000       1.642000      353.7553      -42.8  
1 1 1 4  32 21 o 11.04000       1.194000      309.5170      -28.9  
1 1 1 4  32 22 o 5.544000       0.8929000     123.1621      55.1   
1 1 1 4  32 23 o 5.357000       0.9460000     225.8768      -45.1  
1 1 1 4  32 24 o 0.4427000      0.9208000     82.32705      -51.0  
1 1 1 4  32 25 o 1.419000       0.5526000     70.52285      127.2  
1 1 1 4  32 26 o 1.116000       0.6142000     170.4773      -11.8  
1 1 1 4  32 27 o 1.022000       0.6423000     190.6408      -35.6  
1 1 1 4  32 28 o 1.027000       0.6613000     43.19307      60.8   
1 1 1 4  32 29 o -1.036000      0.6896000     22.36277      -21.4  
1 1 1 4  32 30 o 5.713000       0.7580000     264.7806      28.6   
1 1 1 4  32 31 o 1.498000       0.7561000     201.6313      -23.4  
1 1 1 4  32 32 o 4.045000       0.8051000     123.5755      55.6   
1 1 1 4  32 33 o -0.7047000     0.9799000     180.7980      151.2  
1 1 1 4  32 34 o 1.191000       0.9662000     66.84292      12.0   
1 1 1 4  32 35 o 2.024000       1.180000      124.4273      -62.5  
1 1 1 4  32 36 o 1.034000       1.488000      73.15465      0.6    
1 1 1 4  32 37 o 5.463000       1.038000      131.7386      15.0   
1 1 1 4  32 38 o 2.957000       1.008000      176.2512      68.5   
1 1 1 4  32 39 o 0.2204000      1.023000      98.06267      44.3   
1 1 1 4  32 40 o 6.784000       1.144000      318.2595      90.0   
1 1 1 4  32 41 o -0.9770000     1.067000      130.1858      -123.4 
1 1 1 4  32 42 o 3.133000       1.154000      162.6534      52.2   
1 1 1 4  32 43 o 3.466000       1.174000      131.4968      30.5   
1 1 1 4  32 44 o 4.097000       1.201000      169.2724      115.7  
1 1 1 4  32 45 o 7.482000       1.213000      182.9547      -22.2  
1 1 1 4  32 46 o 1.611000       1.342000      141.4850      144.8  
1 1 1 4  32 47 o 0.7205000      1.341000      59.18252      133.5  
1 1 1 4  32 48 o 2.278000       1.715000      238.2508      55.9   
1 1 1 4  32 49 o 5.177000       1.469000      177.1802      -78.8  
1 1 1 4  32 50 o 4.814000       1.587000      ?             ?      
1 1 1 4  32 51 o 8.095000       3.202000      ?             ?      
1 1 1 4  32 52 o 3.180000       2.424000      ?             ?      
1 1 1 4  32 53 o 1.671000       1.384000      ?             ?      
1 1 1 4  32 54 o 3.191000       1.233000      ?             ?      
1 1 1 4  32 55 o 10.26000       1.291000      ?             ?      
1 1 1 4  32 56 o 9.659000       1.286000      ?             ?      
1 1 1 4  32 57 o 1.721000       1.208000      ?             ?      
1 1 1 4  32 58 o 1.303000       1.222000      ?             ?      
1 1 1 4  32 59 o 4.172000       1.252000      ?             ?      
1 1 1 4  32 60 o 3.710000       1.266000      ?             ?      
1 1 1 4  32 61 o 2.633000       1.251000      ?             ?      
1 1 1 4  32 62 o -0.7401000     1.271000      ?             ?      
1 1 1 4  32 63 o -0.5078000     1.260000      ?             ?      
1 1 1 4  32 64 o -0.7161000     1.413000      ?             ?      
1 1 1 4  32 65 o -1.135000      1.450000      ?             ?      
1 1 1 4  32 66 o 0.4961000      1.458000      ?             ?      
1 1 1 4  32 67 o 1.926000       1.766000      ?             ?      
1 1 1 4  33 0  o 10.27000       1.793000      323.9954      -180.0 
1 1 1 4  33 1  o 15.77000       1.545000      477.0254      -20.8  
1 1 1 4  33 2  o 6.614000       1.138000      415.8008      -48.8  
1 1 1 4  33 3  o 3.145000       0.8614000     69.95621      68.8   
1 1 1 4  33 4  o 1.075000       0.8524000     174.2745      5.9    
1 1 1 4  33 5  o 4.555000       0.8605000     332.6793      33.9   
1 1 1 4  33 6  o 5.185000       0.7665000     335.9255      -172.0 
1 1 1 4  33 7  o 2.040000       0.7198000     128.1264      -154.8 
1 1 1 4  33 8  o 6.707000       0.6799000     268.8294      -115.8 
1 1 1 4  33 9  o 6.497000       0.7226000     288.3373      50.8   
1 1 1 4  33 10 o 6.108000       0.8840000     389.3583      -78.2  
1 1 1 4  33 11 o 13.31000       1.169000      340.4736      -65.8  
1 1 1 4  33 12 o 1.712000       1.015000      276.3550      178.8  
1 1 1 4  33 13 o 5.161000       1.005000      128.3220      -15.2  
1 1 1 4  33 14 o 14.22000       1.176000      404.5227      117.6  
1 1 1 4  33 15 o 9.677000       1.100000      211.8652      171.3  
1 1 1 4  33 16 o 21.38000       1.270000      366.1367      -38.7  
1 1 1 4  33 17 o 0.9787000      0.9987000     277.3230      -172.5 
1 1 1 4  33 18 o 4.296000       1.341000      195.7410      -2.8   
1 1 1 4  33 19 o 6.309000       1.608000      252.3254      -109.5 
1 1 1 4  33 20 o 18.22000       1.740000      350.1455      -44.2  
1 1 1 4  33 21 o 4.125000       1.060000      91.02451      16.2   
1 1 1 4  33 22 o 9.072000       0.9843000     304.7005      159.2  
1 1 1 4  33 23 o 14.69000       1.081000      528.0620      133.0  
1 1 1 4  33 24 o 4.216000       0.8703000     163.0363      25.8   
1 1 1 4  33 25 o 4.099000       0.8827000     97.96941      -89.5  
1 1 1 4  33 26 o -1.301000      0.5405000     26.33950      -160.7 
1 1 1 4  33 27 o 8.410000       0.8640000     315.1272      117.9  
1 1 1 4  33 28 o 2.842000       0.6546000     253.6460      27.6   
1 1 1 4  33 29 o 1.488000       0.6670000     148.9505      95.4   
1 1 1 4  33 30 o 3.772000       0.7290000     184.4480      108.0  
1 1 1 4  33 31 o 17.18000       0.9530000     541.7523      150.9  
1 1 1 4  33 32 o 4.600000       0.8073000     284.0227      37.3   
1 1 1 4  33 33 o 2.126000       0.8737000     216.1740      84.4   
1 1 1 4  33 34 o 3.789000       1.095000      158.4912      96.2   
1 1 1 4  33 35 o 1.078000       1.353000      49.34963      161.1  
1 1 1 4  33 36 o -0.3260000     1.375000      152.0509      57.4   
1 1 1 4  33 37 o 0.7067000      1.113000      185.1818      -138.1 
1 1 1 4  33 38 o 8.335000       1.001000      291.7945      116.4  
1 1 1 4  33 39 o 5.631000       1.015000      253.4268      -160.9 
1 1 1 4  33 40 o 5.810000       1.113000      217.3933      -87.7  
1 1 1 4  33 41 o 5.409000       1.136000      226.1317      75.2   
1 1 1 4  33 42 o 1.662000       1.124000      122.1841      -43.0  
1 1 1 4  33 43 o 5.415000       1.193000      301.0162      -155.1 
1 1 1 4  33 44 o 6.557000       1.410000      289.2301      73.4   
1 1 1 4  33 45 o 1.884000       1.582000      85.86329      -11.8  
1 1 1 4  33 46 o 1.975000       2.083000      210.9422      13.1   
1 1 1 4  33 47 o 5.929000       1.580000      206.8078      -176.0 
1 1 1 4  33 48 o 0.8739000      1.357000      140.9098      89.5   
1 1 1 4  33 49 o 11.19000       1.311000      352.4819      -48.7  
1 1 1 4  33 50 o 1.588000       1.366000      ?             ?      
1 1 1 4  33 51 o 2.024000       1.555000      ?             ?      
1 1 1 4  33 52 o -0.2703000     1.676000      ?             ?      
1 1 1 4  33 53 o 0.1832000      1.455000      ?             ?      
1 1 1 4  33 54 o 3.882000       1.221000      ?             ?      
1 1 1 4  33 55 o 2.298000       1.204000      ?             ?      
1 1 1 4  33 56 o 2.075000       1.216000      ?             ?      
1 1 1 4  33 57 o 0.3202000      1.200000      ?             ?      
1 1 1 4  33 58 o 2.610000       1.226000      ?             ?      
1 1 1 4  33 59 o 4.641000       1.262000      ?             ?      
1 1 1 4  33 60 o 0.1995000      1.228000      ?             ?      
1 1 1 4  33 61 o 2.157000       1.241000      ?             ?      
1 1 1 4  33 62 o 3.162000       1.273000      ?             ?      
1 1 1 4  33 63 o -0.4178000     1.413000      ?             ?      
1 1 1 4  33 64 o 1.206000       1.542000      ?             ?      
1 1 1 4  33 65 o 3.570000       1.480000      ?             ?      
1 1 1 4  33 66 o 0.6146000      1.448000      ?             ?      
1 1 1 4  33 67 o 1.465000       1.882000      ?             ?      
1 1 1 4  34 0  o -2.008000      1.674000      296.7544      180.0  
1 1 1 4  34 1  o 4.846000       1.267000      107.6829      81.6   
1 1 1 4  34 2  o 4.365000       0.8606000     313.9391      78.9   
1 1 1 4  34 3  o 10.28000       0.8926000     372.8990      48.7   
1 1 1 4  34 4  f 0.1774000      0.7588000     255.5650      -110.1 
1 1 1 4  34 5  o 41.17000       1.479000      732.9025      30.3   
1 1 1 4  34 6  o 2.432000       0.7091000     79.11902      -40.7  
1 1 1 4  34 7  o 3.175000       0.7005000     220.4870      92.5   
1 1 1 4  34 8  o 1.110000       0.6438000     127.2851      138.1  
1 1 1 4  34 9  o 1.265000       0.6125000     295.5478      -43.1  
1 1 1 4  34 10 o 4.319000       0.6723000     214.3133      176.5  
1 1 1 4  34 11 o 3.843000       1.014000      293.2700      -82.7  
1 1 1 4  34 12 o 1.943000       0.9763000     52.15422      -21.5  
1 1 1 4  34 13 o 4.387000       0.9803000     188.9333      44.7   
1 1 1 4  34 14 o 1.136000       0.9683000     135.2599      58.4   
1 1 1 4  34 15 o 4.398000       0.9977000     361.6617      -116.9 
1 1 1 4  34 16 o 11.29000       1.131000      387.3035      42.8   
1 1 1 4  34 17 o 2.785000       1.289000      253.9694      58.7   
1 1 1 4  34 18 o 3.655000       1.394000      402.6075      -82.5  
1 1 1 4  34 19 o 18.90000       1.745000      557.5522      -71.1  
1 1 1 4  34 20 o 5.772000       1.051000      530.3706      -31.5  
1 1 1 4  34 21 o 6.081000       1.034000      221.6831      -66.7  
1 1 1 4  34 22 o 16.60000       1.249000      407.9799      -134.6 
1 1 1 4  34 23 o 17.79000       1.286000      491.3962      39.1   
1 1 1 4  34 24 o 10.21000       1.002000      329.8428      -47.0  
1 1 1 4  34 25 o 4.075000       0.8306000     140.0448      178.1  
1 1 1 4  34 26 o 1.299000       0.9123000     187.1607      -162.9 
1 1 1 4  34 27 o -0.3464000     0.5446000     38.90461      42.2   
1 1 1 4  34 28 o 0.6100000      0.5944000     196.7665      -143.7 
1 1 1 4  34 29 o 12.69000       0.9191000     487.6316      -92.8  
1 1 1 4  34 30 o 3.584000       0.7134000     297.9214      -26.0  
1 1 1 4  34 31 o 2.776000       0.7448000     297.5287      170.3  
1 1 1 4  34 32 o 3.967000       0.7807000     381.1554      -166.7 
1 1 1 4  34 33 o 4.795000       0.8310000     344.8163      -130.3 
1 1 1 4  34 34 o 3.166000       0.9789000     196.0327      91.9   
1 1 1 4  34 35 o 1.621000       1.332000      167.7390      158.4  
1 1 1 4  34 36 o 7.264000       1.448000      202.2973      -59.1  
1 1 1 4  34 37 o 5.841000       1.228000      296.4212      -110.8 
1 1 1 4  34 38 o 3.370000       1.179000      289.4584      105.7  
1 1 1 4  34 39 o 11.80000       1.092000      392.9686      -134.9 
1 1 1 4  34 40 o 11.19000       1.107000      354.2675      123.0  
1 1 1 4  34 41 o 4.051000       1.068000      161.8441      -97.6  
1 1 1 4  34 42 o 1.852000       1.237000      100.0354      89.9   
1 1 1 4  34 43 o -0.9042000     1.361000      83.17826      88.0   
1 1 1 4  34 44 o -1.496000      2.190000      47.32634      40.8   
1 1 1 4  34 45 o 2.371000       1.534000      128.6307      91.0   
1 1 1 4  34 46 o 1.552000       1.436000      159.0623      -145.0 
1 1 1 4  34 47 o 7.516000       1.295000      273.7823      71.9   
1 1 1 4  34 48 o 8.454000       1.385000      312.4247      61.7   
1 1 1 4  34 49 o 5.837000       1.352000      ?             ?      
1 1 1 4  34 50 o 7.988000       1.535000      ?             ?      
1 1 1 4  34 51 o 3.412000       1.494000      ?             ?      
1 1 1 4  34 52 o 1.955000       1.422000      ?             ?      
1 1 1 4  34 53 o 4.027000       1.733000      ?             ?      
1 1 1 4  34 54 o 5.057000       1.336000      ?             ?      
1 1 1 4  34 55 o -0.5154000E-01 1.180000      ?             ?      
1 1 1 4  34 56 o 2.428000       1.194000      ?             ?      
1 1 1 4  34 57 o 5.395000       1.229000      ?             ?      
1 1 1 4  34 58 o 3.363000       1.227000      ?             ?      
1 1 1 4  34 59 o 2.438000       1.230000      ?             ?      
1 1 1 4  34 60 o 3.298000       1.236000      ?             ?      
1 1 1 4  34 61 o 4.383000       1.274000      ?             ?      
1 1 1 4  34 62 o 2.749000       1.261000      ?             ?      
1 1 1 4  34 63 o 2.556000       1.433000      ?             ?      
1 1 1 4  34 64 o 0.8531000      1.451000      ?             ?      
1 1 1 4  34 65 o 2.173000       1.325000      ?             ?      
1 1 1 4  34 66 o 1.527000       1.325000      ?             ?      
1 1 1 4  35 1  o 4.752000       1.016000      380.7662      -134.7 
1 1 1 4  35 2  o 5.340000       0.8469000     441.7480      148.6  
1 1 1 4  35 3  o 5.487000       0.7691000     349.6630      -94.0  
1 1 1 4  35 4  o 12.64000       0.8007000     153.6658      46.0   
1 1 1 4  35 5  o -0.2173000     0.7051000     396.9457      88.7   
1 1 1 4  35 6  o 12.12000       0.7991000     351.8162      -111.1 
1 1 1 4  35 7  o 25.14000       1.008000      781.1337      -24.8  
1 1 1 4  35 8  o -0.7360000     0.6205000     205.2086      12.8   
1 1 1 4  35 9  o 9.398000       0.6403000     525.7129      -19.5  
1 1 1 4  35 10 o 8.206000       0.7160000     429.9798      103.4  
1 1 1 4  35 11 o 10.87000       1.093000      489.7925      -130.7 
1 1 1 4  35 12 o 7.858000       1.007000      332.1755      -38.4  
1 1 1 4  35 13 o 24.07000       1.337000      709.5565      87.7   
1 1 1 4  35 14 o 13.76000       1.067000      661.7653      57.5   
1 1 1 4  35 15 o 6.914000       1.006000      323.0019      -120.0 
1 1 1 4  35 16 o 34.55000       1.727000      686.4246      34.0   
1 1 1 4  35 17 o 14.55000       1.509000      452.1462      82.5   
1 1 1 4  35 18 o 6.588000       2.883000      189.4547      -30.4  
1 1 1 4  35 19 o -1.464000      1.704000      106.5649      -105.2 
1 1 1 4  35 20 o 27.45000       1.307000      703.7818      -25.1  
1 1 1 4  35 21 o 4.029000       1.009000      133.3756      45.4   
1 1 1 4  35 22 o 19.06000       1.211000      604.1406      -177.1 
1 1 1 4  35 23 o 5.716000       1.048000      419.4687      34.4   
1 1 1 4  35 24 o 0.9240000      1.017000      114.4217      -64.6  
1 1 1 4  35 25 o 3.372000       1.061000      166.2575      171.0  
1 1 1 4  35 26 o 26.32000       1.205000      716.2292      123.5  
1 1 1 4  35 27 o 1.219000       0.8509000     251.3681      23.6   
1 1 1 4  35 28 o 3.979000       0.5509000     311.9907      -28.8  
1 1 1 4  35 29 o 1.479000       0.5888000     211.8645      92.3   
1 1 1 4  35 30 o 2.753000       0.6756000     246.2964      -69.2  
1 1 1 4  35 31 o 5.641000       0.7246000     359.9719      -152.4 
1 1 1 4  35 32 o 5.292000       0.7589000     151.1027      3.7    
1 1 1 4  35 33 o 2.189000       0.8186000     220.8690      -8.8   
1 1 1 4  35 34 o 4.425000       0.9674000     296.9727      -71.7  
1 1 1 4  35 35 o 8.723000       1.099000      320.0710      -11.7  
1 1 1 4  35 36 o 4.877000       1.145000      243.0566      63.1   
1 1 1 4  35 37 o 15.23000       1.498000      397.7029      -141.5 
1 1 1 4  35 38 o 5.135000       1.293000      216.7126      -145.5 
1 1 1 4  35 39 o 8.236000       1.278000      456.3450      178.8  
1 1 1 4  35 40 f 0.8102000      1.241000      166.1918      -88.1  
1 1 1 4  35 41 o 14.06000       1.663000      505.5214      172.6  
1 1 1 4  35 42 o 2.655000       1.255000      290.8617      -160.5 
1 1 1 4  35 43 o 1.940000       1.226000      55.01423      137.5  
1 1 1 4  35 44 o 3.761000       1.163000      226.9454      38.1   
1 1 1 4  35 45 o 3.418000       1.168000      239.9480      -38.1  
1 1 1 4  35 46 o 6.757000       1.267000      435.2731      128.1  
1 1 1 4  35 47 o 4.531000       1.246000      252.3553      159.7  
1 1 1 4  35 48 o 6.941000       1.332000      ?             ?      
1 1 1 4  35 49 o 8.552000       1.396000      ?             ?      
1 1 1 4  35 50 o 4.735000       1.355000      ?             ?      
1 1 1 4  35 51 o -1.357000      1.194000      ?             ?      
1 1 1 4  35 52 o -0.1511000     1.326000      ?             ?      
1 1 1 4  35 53 o -2.403000      2.133000      ?             ?      
1 1 1 4  35 54 o 10.07000       1.842000      ?             ?      
1 1 1 4  35 55 o -1.723000      1.279000      ?             ?      
1 1 1 4  35 56 o 3.429000       1.177000      ?             ?      
1 1 1 4  35 57 o -0.9575000E-01 1.184000      ?             ?      
1 1 1 4  35 58 o 7.051000       1.246000      ?             ?      
1 1 1 4  35 59 o 1.267000       1.227000      ?             ?      
1 1 1 4  35 60 o 0.4026000      1.217000      ?             ?      
1 1 1 4  35 61 o 2.604000       1.240000      ?             ?      
1 1 1 4  35 62 o 1.286000       1.379000      ?             ?      
1 1 1 4  35 63 o 0.3034000      1.511000      ?             ?      
1 1 1 4  35 64 o 2.534000       1.458000      ?             ?      
1 1 1 4  35 65 o 1.951000       1.322000      ?             ?      
1 1 1 4  36 0  o 22.72000       1.932000      860.8594      -0.0   
1 1 1 4  36 1  o 22.36000       1.934000      819.4418      -31.1  
1 1 1 4  36 2  o 20.16000       0.9768000     681.9902      36.8   
1 1 1 4  36 3  o 12.84000       0.8161000     492.2883      -147.1 
1 1 1 4  36 4  o 1.555000       0.7172000     185.6544      -127.4 
1 1 1 4  36 5  o 1.386000       0.6929000     72.72066      47.3   
1 1 1 4  36 6  o 14.16000       0.7674000     380.3870      90.2   
1 1 1 4  36 7  o 0.4785000      0.6735000     166.6575      -113.9 
1 1 1 4  36 8  o 35.13000       1.106000      713.7838      172.0  
1 1 1 4  36 9  o 10.57000       0.6485000     509.0120      -129.4 
1 1 1 4  36 10 o 13.73000       0.7463000     503.7719      -134.0 
1 1 1 4  36 11 o 2.631000       1.005000      104.5636      -33.3  
1 1 1 4  36 12 o 8.750000       1.021000      436.0193      128.1  
1 1 1 4  36 13 o 5.725000       0.9933000     391.7440      137.7  
1 1 1 4  36 14 o 3.053000       0.9593000     278.7696      139.1  
1 1 1 4  36 15 o 25.03000       1.241000      741.2753      140.4  
1 1 1 4  36 16 o 0.9846000      1.290000      202.3058      126.7  
1 1 1 4  36 17 o 1.947000       2.504000      259.5820      133.5  
1 1 1 4  36 18 o 6.905000       2.031000      370.7207      -75.4  
1 1 1 4  36 19 o 4.697000       1.327000      217.9373      9.0    
1 1 1 4  36 20 o 12.59000       1.425000      436.8939      73.7   
1 1 1 4  36 21 o 9.180000       1.390000      440.1665      -85.9  
1 1 1 4  36 22 o 0.7307000E-01  1.338000      168.0091      109.2  
1 1 1 4  36 23 o 14.00000       1.133000      548.2099      -69.1  
1 1 1 4  36 24 o 53.36000       1.966000      987.3516      -178.3 
1 1 1 4  36 25 o 17.60000       1.206000      542.5377      -118.0 
1 1 1 4  36 26 o 1.651000       0.7965000     131.3062      -159.1 
1 1 1 4  36 27 o 3.870000       0.7677000     202.1909      178.2  
1 1 1 4  36 28 o 6.737000       0.9293000     350.9548      -132.5 
1 1 1 4  36 29 o 12.25000       0.8557000     554.2068      -65.1  
1 1 1 4  36 30 o -0.7940000     0.5835000     82.08475      -4.8   
1 1 1 4  36 31 o 2.756000       0.6821000     289.1636      135.9  
1 1 1 4  36 32 o 0.3031000E-01  0.7017000     56.56672      25.7   
1 1 1 4  36 33 o 3.271000       0.8396000     263.6452      63.5   
1 1 1 4  36 34 o 26.47000       1.262000      732.1138      119.5  
1 1 1 4  36 35 o 52.64000       1.842000      961.2362      -79.2  
1 1 1 4  36 36 o 2.023000       1.117000      246.6575      -30.7  
1 1 1 4  36 37 o 5.861000       1.293000      309.4474      -137.2 
1 1 1 4  36 38 o 5.257000       1.572000      293.5044      -47.0  
1 1 1 4  36 39 o -2.075000      1.596000      140.0875      -138.6 
1 1 1 4  36 40 o 4.976000       1.249000      295.7193      -97.3  
1 1 1 4  36 41 o 17.98000       1.350000      588.6956      -84.7  
1 1 1 4  36 42 o 17.27000       1.345000      537.4530      67.8   
1 1 1 4  36 43 o 0.1542000E-01  1.127000      167.7306      -103.5 
1 1 1 4  36 44 o 6.294000       1.164000      307.0797      -118.8 
1 1 1 4  36 45 o 0.2343000      1.144000      138.8137      -135.9 
1 1 1 4  36 46 o 1.913000       1.146000      230.9646      93.4   
1 1 1 4  36 47 o 4.812000       1.159000      ?             ?      
1 1 1 4  36 48 o 1.509000       1.253000      ?             ?      
1 1 1 4  36 49 o 4.169000       1.397000      ?             ?      
1 1 1 4  36 50 o 2.777000       1.254000      ?             ?      
1 1 1 4  36 51 o 12.92000       1.328000      ?             ?      
1 1 1 4  36 52 o 3.793000       1.185000      ?             ?      
1 1 1 4  36 53 o -0.6550000     1.620000      ?             ?      
1 1 1 4  36 54 o 4.564000       1.697000      ?             ?      
1 1 1 4  36 55 o 2.156000       1.647000      ?             ?      
1 1 1 4  36 56 o 2.658000       1.353000      ?             ?      
1 1 1 4  36 57 o 1.508000       1.227000      ?             ?      
1 1 1 4  36 58 o 5.213000       1.215000      ?             ?      
1 1 1 4  36 59 o -0.7027000     1.188000      ?             ?      
1 1 1 4  36 60 o 2.991000       1.217000      ?             ?      
1 1 1 4  36 61 o 1.848000       1.233000      ?             ?      
1 1 1 4  36 62 o 1.383000       1.367000      ?             ?      
1 1 1 4  36 63 o 1.919000       1.426000      ?             ?      
1 1 1 4  36 64 o 2.294000       1.303000      ?             ?      
1 1 1 4  36 65 o 1.543000       1.314000      ?             ?      
1 1 1 4  37 0  o 19.92000       1.797000      812.7130      0.0    
1 1 1 4  37 1  o 2.010000       1.022000      187.7462      78.9   
1 1 1 4  37 2  o 24.86000       1.053000      825.5867      -1.7   
1 1 1 4  37 3  o 37.78000       1.148000      961.2944      -83.0  
1 1 1 4  37 4  o 24.42000       1.010000      669.6358      -6.3   
1 1 1 4  37 5  o -0.3397000     0.6997000     300.0157      4.7    
1 1 1 4  37 6  o 13.86000       0.7696000     619.9158      12.3   
1 1 1 4  37 7  o 71.90000       1.678000      1075.356      -108.4 
1 1 1 4  37 8  o 18.10000       0.7877000     498.9079      9.4    
1 1 1 4  37 9  o 2.272000       0.5991000     335.7704      -151.5 
1 1 1 4  37 10 o 4.558000       0.5962000     383.0070      11.5   
1 1 1 4  37 11 o 39.20000       1.555000      868.8411      -71.9  
1 1 1 4  37 12 o 13.02000       1.077000      461.6746      2.9    
1 1 1 4  37 13 o 7.034000       1.007000      387.5905      100.5  
1 1 1 4  37 14 o 36.76000       1.523000      779.8101      -92.0  
1 1 1 4  37 15 o 1.633000       0.9768000     183.6105      -92.8  
1 1 1 4  37 16 o 2.765000       1.865000      252.5309      73.4   
1 1 1 4  37 17 o -1.077000      2.678000      229.7322      -2.0   
1 1 1 4  37 18 o 21.83000       1.948000      687.8558      -154.4 
1 1 1 4  37 19 o 11.75000       1.432000      420.1084      40.0   
1 1 1 4  37 20 o 21.28000       1.589000      588.1378      -91.9  
1 1 1 4  37 21 o 15.00000       1.500000      598.3637      -145.7 
1 1 1 4  37 22 o 26.20000       1.670000      776.1095      -31.7  
1 1 1 4  37 23 o 7.600000       1.394000      296.7065      -100.8 
1 1 1 4  37 24 o 0.9082000      1.369000      223.5881      121.2  
1 1 1 4  37 25 o 3.329000       1.056000      288.9438      38.2   
1 1 1 4  37 26 o 1.955000       1.063000      116.7259      43.4   
1 1 1 4  37 27 o 16.54000       1.245000      609.8936      -84.2  
1 1 1 4  37 28 o 10.52000       0.9512000     368.9999      23.7   
1 1 1 4  37 29 o 9.685000       1.031000      420.8757      -48.5  
1 1 1 4  37 30 o 11.78000       0.8112000     471.8489      -110.8 
1 1 1 4  37 31 o 23.04000       1.108000      665.2216      98.2   
1 1 1 4  37 32 o 0.9427000      0.7075000     236.2315      -122.7 
1 1 1 4  37 33 o 3.997000       0.8511000     195.8783      -4.4   
1 1 1 4  37 34 o 2.025000       0.9005000     87.58056      -11.1  
1 1 1 4  37 35 o 0.9424000      1.132000      240.8120      45.2   
1 1 1 4  37 36 o 18.66000       1.309000      586.2612      -19.8  
1 1 1 4  37 37 o 32.61000       1.862000      819.5647      164.4  
1 1 1 4  37 38 o 1.166000       1.488000      193.6695      83.1   
1 1 1 4  37 39 o 30.98000       1.588000      846.8897      48.2   
1 1 1 4  37 40 o 3.769000       1.419000      285.4392      158.1  
1 1 1 4  37 41 o 1.508000       1.103000      229.7078      101.5  
1 1 1 4  37 42 o 4.166000       1.133000      290.2652      46.0   
1 1 1 4  37 43 o 0.8676000      1.129000      154.2410      83.9   
1 1 1 4  37 44 o -0.4483000     1.123000      97.00773      54.1   
1 1 1 4  37 45 o 8.166000       1.150000      315.2104      149.8  
1 1 1 4  37 46 o 1.324000       1.115000      ?             ?      
1 1 1 4  37 47 o 2.212000       1.127000      ?             ?      
1 1 1 4  37 48 o 2.284000       1.248000      ?             ?      
1 1 1 4  37 49 o 2.420000       1.254000      ?             ?      
1 1 1 4  37 50 o 25.91000       1.367000      ?             ?      
1 1 1 4  37 51 o 4.930000       1.131000      ?             ?      
1 1 1 4  37 52 o -1.642000      1.092000      ?             ?      
1 1 1 4  37 53 o 6.175000       1.342000      ?             ?      
1 1 1 4  37 54 o 15.87000       1.738000      ?             ?      
1 1 1 4  37 55 o 1.789000       1.661000      ?             ?      
1 1 1 4  37 56 o -2.877000      1.526000      ?             ?      
1 1 1 4  37 57 o -0.7334000     1.191000      ?             ?      
1 1 1 4  37 58 o 4.705000       1.301000      ?             ?      
1 1 1 4  37 59 o 5.519000       1.260000      ?             ?      
1 1 1 4  37 60 o 1.731000       1.268000      ?             ?      
1 1 1 4  37 61 o 0.5782000      1.311000      ?             ?      
1 1 1 4  37 62 o 3.347000       1.526000      ?             ?      
1 1 1 4  37 63 o 2.097000       1.391000      ?             ?      
1 1 1 4  37 64 o 0.2720000      1.253000      ?             ?      
1 1 1 4  38 0  o 26.88000       1.901000      913.1826      -0.0   
1 1 1 4  38 1  o 5.216000       1.201000      334.9665      67.5   
1 1 1 4  38 2  o 40.97000       1.392000      1030.055      -9.3   
1 1 1 4  38 3  o 41.81000       1.300000      911.5760      129.1  
1 1 1 4  38 4  o 8.257000       0.7620000     457.1145      -165.9 
1 1 1 4  38 5  o 47.81000       1.269000      1041.528      -139.2 
1 1 1 4  38 6  o 1.329000       0.6872000     132.9256      1.7    
1 1 1 4  38 7  o 6.265000       0.7135000     381.5598      -56.4  
1 1 1 4  38 8  o 3.147000       0.6350000     310.4705      19.3   
1 1 1 4  38 9  o 4.949000       0.6204000     219.4234      -148.1 
1 1 1 4  38 10 o 31.94000       1.062000      648.7723      126.8  
1 1 1 4  38 11 o 65.67000       2.127000      1225.232      130.8  
1 1 1 4  38 12 o 26.21000       1.324000      931.8567      -153.2 
1 1 1 4  38 13 o 15.44000       1.095000      511.2260      -15.5  
1 1 1 4  38 14 o 36.56000       1.442000      781.7291      -160.0 
1 1 1 4  38 15 o 4.755000       1.325000      348.9510      85.5   
1 1 1 4  38 16 o 10.74000       2.775000      449.3710      21.2   
1 1 1 4  38 17 o 2.998000       1.989000      336.6216      -147.1 
1 1 1 4  38 18 o 6.592000       1.383000      358.4803      75.3   
1 1 1 4  38 19 o 17.96000       1.527000      606.6104      -47.7  
1 1 1 4  38 20 o 6.030000       1.399000      122.9904      22.9   
1 1 1 4  38 21 o 6.930000       1.964000      319.0446      -88.9  
1 1 1 4  38 22 o 13.31000       1.463000      496.5173      -122.7 
1 1 1 4  38 23 o 3.214000       1.359000      147.2260      17.9   
1 1 1 4  38 24 o 2.047000       1.382000      245.3903      163.9  
1 1 1 4  38 25 o 20.00000       1.628000      439.5519      -119.0 
1 1 1 4  38 26 o 60.45000       2.052000      1035.630      119.6  
1 1 1 4  38 27 o 5.463000       1.147000      366.3395      -165.2 
1 1 1 4  38 28 o 4.819000       0.8117000     262.8075      -36.7  
1 1 1 4  38 29 o 2.756000       0.8084000     344.8466      -4.3   
1 1 1 4  38 30 o 3.535000       0.8263000     207.9078      -152.2 
1 1 1 4  38 31 o 1.975000       0.8073000     122.2172      167.9  
1 1 1 4  38 32 o 35.23000       1.779000      775.8191      168.3  
1 1 1 4  38 33 o -0.4049000     0.9783000     109.2363      -26.8  
1 1 1 4  38 34 o 25.57000       1.372000      573.3030      35.8   
1 1 1 4  38 35 o 10.62000       1.192000      387.2332      -44.6  
1 1 1 4  38 36 o 32.08000       1.371000      734.1083      158.6  
1 1 1 4  38 37 o 9.429000       1.061000      355.3155      107.0  
1 1 1 4  38 38 o 8.687000       1.209000      587.1617      -145.3 
1 1 1 4  38 39 o 0.5968000      1.093000      73.14136      -163.9 
1 1 1 4  38 40 o 0.7093000      1.228000      141.5974      26.0   
1 1 1 4  38 41 o 1.381000       1.295000      266.4639      -120.5 
1 1 1 4  38 42 o 2.296000       1.090000      363.3254      88.6   
1 1 1 4  38 43 o 4.566000       1.112000      263.9466      -106.0 
1 1 1 4  38 44 o 1.458000       1.112000      189.2062      154.4  
1 1 1 4  38 45 o 0.6730000      1.097000      ?             ?      
1 1 1 4  38 46 o 2.958000       1.108000      ?             ?      
1 1 1 4  38 47 o 14.13000       1.313000      ?             ?      
1 1 1 4  38 48 o 19.24000       1.483000      ?             ?      
1 1 1 4  38 49 o 3.809000       1.184000      ?             ?      
1 1 1 4  38 50 o 4.411000       1.121000      ?             ?      
1 1 1 4  38 51 o 1.411000       1.099000      ?             ?      
1 1 1 4  38 52 o 4.725000       1.115000      ?             ?      
1 1 1 4  38 53 o -0.5267000E-01 1.091000      ?             ?      
1 1 1 4  38 54 o -1.167000      1.233000      ?             ?      
1 1 1 4  38 55 o -0.3737000E-01 1.679000      ?             ?      
1 1 1 4  38 56 o 0.5614000      2.255000      ?             ?      
1 1 1 4  38 57 o 10.98000       1.454000      ?             ?      
1 1 1 4  38 58 o -0.4212000     1.272000      ?             ?      
1 1 1 4  38 59 o -0.7754000     1.210000      ?             ?      
1 1 1 4  38 60 o 1.282000       1.240000      ?             ?      
1 1 1 4  38 61 o -0.1359000E-02 1.318000      ?             ?      
1 1 1 4  38 62 o 2.784000       1.525000      ?             ?      
1 1 1 4  38 63 o -0.4490000     1.302000      ?             ?      
1 1 1 4  39 0  o 18.11000       1.442000      612.1097      -0.0   
1 1 1 4  39 1  o 1.640000       0.9130000     133.0976      137.1  
1 1 1 4  39 2  o 25.74000       1.135000      745.2302      -74.3  
1 1 1 4  39 3  o 9.599000       0.8631000     537.0289      -135.9 
1 1 1 4  39 4  o 8.378000       0.7566000     403.4257      -8.4   
1 1 1 4  39 5  o -0.8622000E-01 0.7043000     225.4243      -145.3 
1 1 1 4  39 6  o 7.190000       0.7135000     426.0069      6.1    
1 1 1 4  39 7  o 15.68000       0.7858000     631.9828      -170.8 
1 1 1 4  39 8  o 38.63000       1.084000      1002.117      85.1   
1 1 1 4  39 9  o 2.953000       0.6163000     317.5120      -147.2 
1 1 1 4  39 10 o 15.14000       0.7024000     516.3356      -44.6  
1 1 1 4  39 11 o 9.804000       0.7774000     475.6243      -130.2 
1 1 1 4  39 12 o -0.9002000E-01 0.9748000     262.3640      19.5   
1 1 1 4  39 13 o 1.672000       0.9731000     238.2419      -5.7   
1 1 1 4  39 14 o 44.47000       1.637000      953.8092      176.9  
1 1 1 4  39 15 o 1.136000       1.307000      138.7473      39.5   
1 1 1 4  39 16 o 4.607000       2.759000      217.7244      151.5  
1 1 1 4  39 17 o 17.64000       1.880000      607.2659      -128.1 
1 1 1 4  39 18 o 21.66000       1.576000      603.4722      19.8   
1 1 1 4  39 19 o 3.835000       1.370000      229.7914      59.8   
1 1 1 4  39 20 o 20.42000       1.591000      753.7438      -104.6 
1 1 1 4  39 21 o 3.332000       1.392000      343.7623      -151.6 
1 1 1 4  39 22 o -0.2236000     1.363000      235.8318      115.2  
1 1 1 4  39 23 o 15.31000       1.510000      516.8011      -109.9 
1 1 1 4  39 24 o -1.096000      1.375000      89.70741      97.7   
1 1 1 4  39 25 o 29.78000       1.829000      837.1984      -155.8 
1 1 1 4  39 26 o 3.051000       1.538000      267.7336      -8.6   
1 1 1 4  39 27 o 10.19000       1.614000      378.6990      66.1   
1 1 1 4  39 28 o 4.719000       1.181000      303.9681      -68.5  
1 1 1 4  39 29 o 1.093000       0.8093000     180.3481      -56.3  
1 1 1 4  39 30 o 18.16000       1.137000      671.8951      -23.2  
1 1 1 4  39 31 o 8.573000       2.524000      396.6225      -123.7 
1 1 1 4  39 32 o 0.6804000      1.631000      283.4437      151.2  
1 1 1 4  39 33 o -0.5018000     0.7787000     22.41008      -75.7  
1 1 1 4  39 34 o 9.904000       0.8525000     526.6922      -114.3 
1 1 1 4  39 35 o 6.354000       0.9703000     533.1229      -147.8 
1 1 1 4  39 36 o 3.168000       0.8482000     334.0342      -135.1 
1 1 1 4  39 37 o 6.324000       0.9038000     346.6641      15.7   
1 1 1 4  39 38 o 7.306000       1.052000      385.2498      94.3   
1 1 1 4  39 39 o 0.8302000      1.176000      111.1998      40.6   
1 1 1 4  39 40 o 4.646000       1.125000      268.8800      50.5   
1 1 1 4  39 41 o -0.7012000     1.379000      115.1092      -149.3 
1 1 1 4  39 42 o 0.4077000      1.274000      151.7705      173.3  
1 1 1 4  39 43 o 7.423000       1.130000      ?             ?      
1 1 1 4  39 44 o 7.909000       1.130000      ?             ?      
1 1 1 4  39 45 o 1.996000       1.084000      ?             ?      
1 1 1 4  39 46 o 9.700000       1.187000      ?             ?      
1 1 1 4  39 47 o 3.323000       1.221000      ?             ?      
1 1 1 4  39 48 o 1.999000       1.150000      ?             ?      
1 1 1 4  39 49 o 4.151000       1.079000      ?             ?      
1 1 1 4  39 50 o 2.720000       1.083000      ?             ?      
1 1 1 4  39 51 o 1.649000       1.086000      ?             ?      
1 1 1 4  39 52 o -1.297000      1.070000      ?             ?      
1 1 1 4  39 53 o -0.8520000     1.091000      ?             ?      
1 1 1 4  39 55 o 2.578000       1.481000      ?             ?      
1 1 1 4  39 56 o 3.969000       1.626000      ?             ?      
1 1 1 4  39 57 o 0.1165000      1.418000      ?             ?      
1 1 1 4  39 58 o 3.078000       1.297000      ?             ?      
1 1 1 4  39 59 o 2.172000       1.242000      ?             ?      
1 1 1 4  39 60 o -0.8335000     1.376000      ?             ?      
1 1 1 4  39 61 o 2.719000       1.463000      ?             ?      
1 1 1 4  39 62 o -1.113000      1.335000      ?             ?      
1 1 1 4  40 0  o 13.60000       1.357000      493.7589      -180.0 
1 1 1 4  40 1  o 8.038000       0.8864000     231.8021      24.1   
1 1 1 4  40 2  o 13.42000       0.9154000     549.7992      -9.4   
1 1 1 4  40 3  o 11.31000       0.9550000     334.9458      -101.9 
1 1 1 4  40 4  o 24.19000       0.9316000     780.5059      -137.6 
1 1 1 4  40 5  o 44.44000       1.227000      822.0295      129.1  
1 1 1 4  40 6  o 19.84000       0.8539000     740.7402      42.8   
1 1 1 4  40 7  o 24.70000       0.8999000     733.4355      139.2  
1 1 1 4  40 8  o 17.16000       0.7800000     722.0103      -112.6 
1 1 1 4  40 9  o 46.03000       1.209000      1039.571      -142.8 
1 1 1 4  40 10 o 19.38000       0.8258000     498.0761      171.7  
1 1 1 4  40 11 o 2.965000       0.6369000     309.7730      88.2   
1 1 1 4  40 12 o 44.71000       1.704000      1188.957      -143.9 
1 1 1 4  40 13 o 19.36000       1.173000      782.7888      -121.2 
1 1 1 4  40 14 o 1.063000       1.326000      64.75114      -70.9  
1 1 1 4  40 15 o 8.352000       2.786000      423.1058      -125.5 
1 1 1 4  40 16 o 9.252000       2.134000      486.0432      -77.8  
1 1 1 4  40 17 o 29.73000       1.741000      917.4738      171.5  
1 1 1 4  40 18 o 25.08000       1.645000      740.7595      -12.1  
1 1 1 4  40 19 o 20.84000       1.589000      623.8876      10.4   
1 1 1 4  40 20 o 14.28000       1.518000      508.4165      -134.3 
1 1 1 4  40 21 o 27.45000       1.742000      775.4418      -82.4  
1 1 1 4  40 22 o -1.783000      1.399000      18.79808      27.0   
1 1 1 4  40 23 o 8.535000       1.465000      385.4647      -90.5  
1 1 1 4  40 24 o 1.529000       1.454000      162.5282      52.7   
1 1 1 4  40 25 o 37.05000       2.006000      870.4143      155.4  
1 1 1 4  40 26 o 7.981000       1.587000      473.8322      50.3   
1 1 1 4  40 27 o -0.2132000     1.548000      92.30235      -147.1 
1 1 1 4  40 28 o -1.411000      1.579000      54.43056      93.5   
1 1 1 4  40 29 o 9.322000       1.704000      469.2317      67.3   
1 1 1 4  40 30 o -0.4513000     1.280000      45.96146      -138.9 
1 1 1 4  40 31 o 2.279000       1.777000      219.9480      -105.8 
1 1 1 4  40 32 o 1.224000       0.9602000     409.3952      -124.5 
1 1 1 4  40 33 o 10.83000       1.623000      405.2664      -48.1  
1 1 1 4  40 34 o 6.548000       0.9497000     310.3162      -25.9  
1 1 1 4  40 35 o 1.421000       0.6508000     137.1712      -81.4  
1 1 1 4  40 36 o 2.172000       0.7991000     272.3510      -76.9  
1 1 1 4  40 37 o 4.569000       0.8569000     141.1304      -173.8 
1 1 1 4  40 38 o 1.590000       0.8739000     112.1831      -50.0  
1 1 1 4  40 39 o 1.747000       1.006000      251.1046      -6.7   
1 1 1 4  40 40 o 2.409000       1.195000      306.5473      -60.8  
1 1 1 4  40 41 o 0.8020000      1.114000      189.0634      -48.3  
1 1 1 4  40 42 o 4.422000       1.378000      ?             ?      
1 1 1 4  40 43 o 20.69000       1.918000      ?             ?      
1 1 1 4  40 44 o 1.009000       1.048000      ?             ?      
1 1 1 4  40 45 o 4.232000       1.066000      ?             ?      
1 1 1 4  40 46 o -0.9269000E-01 1.109000      ?             ?      
1 1 1 4  40 47 o 4.799000       1.183000      ?             ?      
1 1 1 4  40 48 o 13.16000       1.192000      ?             ?      
1 1 1 4  40 49 o 5.619000       1.077000      ?             ?      
1 1 1 4  40 50 o 2.542000       1.065000      ?             ?      
1 1 1 4  40 51 o 0.9318000      1.062000      ?             ?      
1 1 1 4  40 52 o 2.858000       1.070000      ?             ?      
1 1 1 4  40 53 o 0.5885000      1.062000      ?             ?      
1 1 1 4  40 54 o 0.4072000      1.079000      ?             ?      
1 1 1 4  40 55 o 1.581000       1.236000      ?             ?      
1 1 1 4  40 56 o 2.959000       1.405000      ?             ?      
1 1 1 4  40 57 o 0.6711000      1.614000      ?             ?      
1 1 1 4  40 58 o -0.5761000     1.936000      ?             ?      
1 1 1 4  40 59 o 0.7896000      1.309000      ?             ?      
1 1 1 4  40 60 o 2.712000       1.306000      ?             ?      
1 1 1 4  40 61 o 1.366000       1.316000      ?             ?      
1 1 1 4  40 62 o 1.652000       2.758000      ?             ?      
1 1 1 4  41 0  o 8.153000       1.293000      283.6882      -0.0   
1 1 1 4  41 1  o 2.394000       0.8471000     174.1525      -92.1  
1 1 1 4  41 2  o 4.151000       0.9442000     467.4963      -82.6  
1 1 1 4  41 3  o 8.559000       0.9396000     571.4216      179.7  
1 1 1 4  41 4  o 22.52000       0.9892000     516.5974      -148.0 
1 1 1 4  41 5  o 20.52000       0.8762000     697.8598      172.2  
1 1 1 4  41 6  o 0.4542000      0.6945000     229.4162      147.0  
1 1 1 4  41 7  o 24.91000       0.9090000     702.3651      116.9  
1 1 1 4  41 8  o 3.162000       0.6384000     283.4488      -32.9  
1 1 1 4  41 9  o 32.70000       0.9978000     772.3758      -47.9  
1 1 1 4  41 10 o 0.9698000      0.6861000     195.7059      -112.4 
1 1 1 4  41 11 o 34.47000       1.098000      760.8906      -28.0  
1 1 1 4  41 12 o 12.40000       1.200000      431.0891      -50.8  
1 1 1 4  41 13 o 8.498000       1.106000      455.7832      -4.3   
1 1 1 4  41 14 o 2.928000       1.383000      214.8649      -176.7 
1 1 1 4  41 15 o -6.043000      2.893000      245.2026      -126.0 
1 1 1 4  41 16 o 42.06000       2.522000      898.1885      -24.8  
1 1 1 4  41 17 o 4.759000       1.412000      302.6908      105.3  
1 1 1 4  41 18 o -0.1039000     1.369000      145.5725      23.5   
1 1 1 4  41 19 o 17.29000       1.564000      660.9399      3.6    
1 1 1 4  41 20 o 9.693000       1.479000      486.9404      -132.8 
1 1 1 4  41 21 o 1.593000       1.416000      136.1982      -171.6 
1 1 1 4  41 22 o 0.2104000      1.432000      253.9054      99.9   
1 1 1 4  41 23 o 12.96000       1.562000      618.3826      -154.7 
1 1 1 4  41 24 o 2.681000       1.478000      273.3331      -84.2  
1 1 1 4  41 25 o 17.95000       1.673000      533.6130      147.7  
1 1 1 4  41 26 o 5.013000       1.568000      252.3628      -27.6  
1 1 1 4  41 27 o 29.64000       1.965000      664.9673      -175.2 
1 1 1 4  41 28 o 5.757000       1.688000      479.8300      -40.1  
1 1 1 4  41 29 o 26.93000       2.005000      656.1155      -27.6  
1 1 1 4  41 30 o 25.35000       2.563000      682.6914      -60.7  
1 1 1 4  41 31 o 0.2890000      0.8876000     128.0173      115.4  
1 1 1 4  41 32 o 17.51000       1.171000      656.1326      11.7   
1 1 1 4  41 33 o 9.505000       1.154000      573.6950      -82.6  
1 1 1 4  41 34 o -0.9465000     0.8900000     116.9753      -98.7  
1 1 1 4  41 35 o 4.066000       0.9101000     367.4738      -12.6  
1 1 1 4  41 36 o 10.05000       0.7720000     593.8378      77.6   
1 1 1 4  41 37 o 8.716000       0.8349000     412.4334      5.1    
1 1 1 4  41 38 o -0.8347000E-01 0.8311000     92.50145      -57.5  
1 1 1 4  41 39 o 3.627000       0.8992000     276.2120      -63.3  
1 1 1 4  41 40 o 1.823000       1.011000      116.9961      -0.7   
1 1 1 4  41 41 o 0.9853000      1.140000      ?             ?      
1 1 1 4  41 42 o 10.19000       1.258000      ?             ?      
1 1 1 4  41 43 o 7.895000       1.370000      ?             ?      
1 1 1 4  41 44 o 19.12000       1.879000      ?             ?      
1 1 1 4  41 45 o 5.695000       1.058000      ?             ?      
1 1 1 4  41 46 o 3.377000       1.155000      ?             ?      
1 1 1 4  41 47 o 2.701000       1.118000      ?             ?      
1 1 1 4  41 48 o 3.546000       1.045000      ?             ?      
1 1 1 4  41 49 o 2.599000       1.039000      ?             ?      
1 1 1 4  41 50 o 1.266000       1.045000      ?             ?      
1 1 1 4  41 51 o 4.578000       1.062000      ?             ?      
1 1 1 4  41 52 o 2.111000       1.064000      ?             ?      
1 1 1 4  41 53 o -0.4795000     1.062000      ?             ?      
1 1 1 4  41 54 o 5.612000       1.115000      ?             ?      
1 1 1 4  41 56 o 1.084000       1.246000      ?             ?      
1 1 1 4  41 57 o 1.263000       1.354000      ?             ?      
1 1 1 4  41 58 o 2.312000       1.641000      ?             ?      
1 1 1 4  41 59 o 1.184000       2.175000      ?             ?      
1 1 1 4  41 60 o 0.6860000      1.415000      ?             ?      
1 1 1 4  41 61 o 0.5639000      1.306000      ?             ?      
1 1 1 4  42 0  o 31.41000       1.509000      816.1061      180.0  
1 1 1 4  42 1  o 10.57000       0.8762000     405.6382      19.6   
1 1 1 4  42 2  o 19.52000       1.130000      608.0249      -70.1  
1 1 1 4  42 3  o 9.917000       0.9853000     552.3524      -167.0 
1 1 1 4  42 4  o 5.159000       0.8189000     331.5212      -149.7 
1 1 1 4  42 5  o 6.276000       0.7382000     511.3586      83.4   
1 1 1 4  42 6  o 13.33000       0.7893000     422.3390      -39.5  
1 1 1 4  42 7  o -1.416000      0.6907000     87.87319      90.8   
1 1 1 4  42 8  o 14.49000       0.7614000     455.8846      -15.4  
1 1 1 4  42 9  o 44.41000       1.307000      816.1608      74.9   
1 1 1 4  42 10 o 43.39000       1.164000      1021.573      65.7   
1 1 1 4  42 11 o 17.94000       0.9633000     567.9452      158.5  
1 1 1 4  42 12 o 4.070000       1.023000      274.3091      -171.8 
1 1 1 4  42 13 o 41.04000       2.193000      1002.264      -32.2  
1 1 1 4  42 14 o 5.308000       1.486000      294.5851      -106.3 
1 1 1 4  42 15 o 2.423000       2.137000      74.82747      -168.6 
1 1 1 4  42 16 o 15.55000       1.582000      627.9872      4.4    
1 1 1 4  42 17 o 6.815000       1.472000      274.2090      -61.6  
1 1 1 4  42 18 o 3.265000       1.451000      183.3697      143.4  
1 1 1 4  42 19 o 34.66000       1.928000      685.0816      -12.1  
1 1 1 4  42 20 o 1.843000       1.463000      255.7990      -107.1 
1 1 1 4  42 21 o 9.003000       1.516000      599.2739      -88.7  
1 1 1 4  42 22 o 9.709000       1.538000      301.3728      134.7  
1 1 1 4  42 23 o 3.208000       1.487000      176.0037      -111.7 
1 1 1 4  42 24 o 11.06000       1.592000      604.7567      -25.2  
1 1 1 4  42 25 o 2.417000       1.549000      270.3499      25.7   
1 1 1 4  42 26 o 0.4488000      1.591000      137.6417      11.9   
1 1 1 4  42 27 o 1.550000       1.655000      210.3259      166.6  
1 1 1 4  42 28 o 6.254000       1.740000      283.2862      17.9   
1 1 1 4  42 29 o 14.08000       1.884000      562.1123      83.9   
1 1 1 4  42 30 o 2.770000       2.601000      376.6898      -21.5  
1 1 1 4  42 31 o -0.6660000     3.877000      243.0576      -89.4  
1 1 1 4  42 32 o 1.933000       2.420000      218.2901      -159.7 
1 1 1 4  42 33 o 4.551000       0.8611000     445.1559      40.1   
1 1 1 4  42 34 o 3.265000       1.067000      226.5461      -126.7 
1 1 1 4  42 35 o 20.90000       1.886000      670.2498      -105.9 
1 1 1 4  42 36 o 4.435000       1.156000      376.9280      39.8   
1 1 1 4  42 37 o -0.3082000     0.9482000     190.4933      165.3  
1 1 1 4  42 38 o 10.95000       0.9028000     661.1049      -13.0  
1 1 1 4  42 39 o 9.066000       0.8700000     ?             ?      
1 1 1 4  42 40 o 6.268000       0.8564000     ?             ?      
1 1 1 4  42 41 o 5.015000       0.9991000     ?             ?      
1 1 1 4  42 42 o 8.301000       1.167000      ?             ?      
1 1 1 4  42 43 o 1.549000       1.007000      ?             ?      
1 1 1 4  42 44 o 1.895000       1.276000      ?             ?      
1 1 1 4  42 45 o 4.553000       1.247000      ?             ?      
1 1 1 4  42 46 o 0.6237000      1.080000      ?             ?      
1 1 1 4  42 47 o 4.764000       1.048000      ?             ?      
1 1 1 4  42 48 o -0.5224000     0.9946000     ?             ?      
1 1 1 4  42 49 o 4.294000       1.036000      ?             ?      
1 1 1 4  42 50 o 10.46000       1.101000      ?             ?      
1 1 1 4  42 51 o 1.159000       1.032000      ?             ?      
1 1 1 4  42 52 o -0.1393000     1.046000      ?             ?      
1 1 1 4  42 54 o 5.284000       1.114000      ?             ?      
1 1 1 4  42 55 o 3.674000       1.118000      ?             ?      
1 1 1 4  42 56 o -0.8974000E-03 1.102000      ?             ?      
1 1 1 4  42 57 o 1.764000       1.252000      ?             ?      
1 1 1 4  42 58 o -0.9828000     2.124000      ?             ?      
1 1 1 4  42 59 o 0.6782000      2.378000      ?             ?      
1 1 1 4  42 60 o 0.6788000E-01  1.657000      ?             ?      
1 1 1 4  43 0  o -0.6065000     1.069000      70.53172      180.0  
1 1 1 4  43 1  o 21.88000       1.004000      647.4678      -101.6 
1 1 1 4  43 2  o 4.026000       0.8949000     338.3199      -14.0  
1 1 1 4  43 3  o 10.55000       0.9283000     347.9773      -39.6  
1 1 1 4  43 4  o 11.94000       0.9820000     375.2168      -114.4 
1 1 1 4  43 5  o 2.175000       0.7365000     283.4457      93.3   
1 1 1 4  43 6  o 14.63000       0.8281000     555.3425      40.0   
1 1 1 4  43 7  o 21.33000       0.8978000     779.4084      138.8  
1 1 1 4  43 8  o 15.69000       0.7760000     624.8637      -147.8 
1 1 1 4  43 9  o 3.700000       0.7031000     220.0326      175.9  
1 1 1 4  43 10 o 1.641000       0.5776000     322.9999      70.3   
1 1 1 4  43 11 o 2.171000       0.5002000     214.8524      -111.8 
1 1 1 4  43 12 o 6.752000       1.133000      422.2078      -127.5 
1 1 1 4  43 13 o 10.46000       2.865000      486.2299      113.6  
1 1 1 4  43 14 o 1.021000       1.510000      207.2396      33.8   
1 1 1 4  43 15 o 20.21000       1.815000      583.5194      15.5   
1 1 1 4  43 16 o 9.312000       1.542000      449.6678      22.1   
1 1 1 4  43 17 o 50.77000       2.284000      1051.210      118.8  
1 1 1 4  43 18 o 7.923000       1.536000      394.6501      53.8   
1 1 1 4  43 19 o 1.007000       1.494000      311.8656      -92.1  
1 1 1 4  43 20 o -1.412000      1.476000      133.4900      -4.8   
1 1 1 4  43 21 o 3.302000       1.511000      172.8593      -167.0 
1 1 1 4  43 22 o 0.4335000      1.506000      142.0386      -176.4 
1 1 1 4  43 23 o 12.10000       1.607000      447.5311      30.6   
1 1 1 4  43 24 o 11.18000       1.638000      489.9163      -18.9  
1 1 1 4  43 25 o 4.273000       1.602000      298.9710      136.8  
1 1 1 4  43 26 o 3.082000       1.663000      293.2152      153.3  
1 1 1 4  43 27 o -0.6298000     1.708000      188.4777      98.7   
1 1 1 4  43 28 o 8.072000       1.810000      446.4967      5.4    
1 1 1 4  43 29 o 13.21000       2.659000      436.3808      -145.6 
1 1 1 4  43 31 o 6.579000       2.490000      143.7914      33.7   
1 1 1 4  43 32 o 1.641000       1.972000      278.4357      -45.8  
1 1 1 4  43 33 o 6.135000       2.071000      278.3609      -41.3  
1 1 1 4  43 34 o 24.26000       1.390000      848.1252      26.2   
1 1 1 4  43 35 o 1.681000       0.9192000     273.9759      -33.3  
1 1 1 4  43 36 o 0.4013000      0.8900000     212.3016      73.4   
1 1 1 4  43 37 o 8.966000       1.171000      492.3370      7.5    
1 1 1 4  43 38 o 15.12000       1.089000      ?             ?      
1 1 1 4  43 39 o -1.569000      0.9258000     ?             ?      
1 1 1 4  43 40 o -0.8556000     0.7522000     ?             ?      
1 1 1 4  43 41 o 0.6905000      0.7906000     ?             ?      
1 1 1 4  43 42 o -0.1511000     0.9240000     ?             ?      
1 1 1 4  43 43 o 1.128000       1.066000      ?             ?      
1 1 1 4  43 44 o 12.58000       1.301000      ?             ?      
1 1 1 4  43 45 o 2.332000       1.470000      ?             ?      
1 1 1 4  43 46 o 0.3872000      1.191000      ?             ?      
1 1 1 4  43 47 o 1.131000       0.9390000     ?             ?      
1 1 1 4  43 48 o 0.6986000      0.9658000     ?             ?      
1 1 1 4  43 49 o 5.233000       1.021000      ?             ?      
1 1 1 4  43 50 o 1.903000       1.017000      ?             ?      
1 1 1 4  43 51 o 2.314000       1.020000      ?             ?      
1 1 1 4  43 52 o 1.426000       1.020000      ?             ?      
1 1 1 4  43 53 o 0.9790000      1.056000      ?             ?      
1 1 1 4  43 54 o 2.250000       1.079000      ?             ?      
1 1 1 4  43 55 o -0.9211000     1.083000      ?             ?      
1 1 1 4  43 56 o 0.2989000      1.106000      ?             ?      
1 1 1 4  43 57 o 0.2560000      1.121000      ?             ?      
1 1 1 4  43 58 o 1.500000       1.562000      ?             ?      
1 1 1 4  43 59 o -0.4118000     2.224000      ?             ?      
1 1 1 4  44 0  o 0.3605000      1.061000      61.33201      0.0    
1 1 1 4  44 1  o 3.499000       0.8359000     298.6487      -16.3  
1 1 1 4  44 2  o 19.87000       1.069000      647.4930      45.5   
1 1 1 4  44 3  o 36.35000       1.449000      819.6154      141.5  
1 1 1 4  44 4  o 2.129000       0.9199000     130.8065      18.9   
1 1 1 4  44 5  o 14.00000       0.9169000     486.4745      33.5   
1 1 1 4  44 6  o 5.287000       0.7595000     402.0072      -40.3  
1 1 1 4  44 7  o 40.96000       1.203000      860.9940      172.6  
1 1 1 4  44 8  o 9.137000       0.7108000     502.4451      -98.2  
1 1 1 4  44 9  o 18.67000       0.8897000     520.0660      73.4   
1 1 1 4  44 10 o 9.362000       0.6519000     511.2311      -67.5  
1 1 1 4  44 11 o 6.075000       0.4980000     249.3512      8.0    
1 1 1 4  44 12 o 25.29000       1.783000      547.4745      31.6   
1 1 1 4  44 13 o 3.053000       1.422000      319.9628      -102.1 
1 1 1 4  44 14 o 19.61000       3.381000      562.1586      -179.6 
1 1 1 4  44 15 o 16.99000       1.634000      679.4055      45.9   
1 1 1 4  44 16 o 12.34000       1.584000      589.3402      -84.5  
1 1 1 4  44 17 o 28.39000       1.866000      735.7111      -124.0 
1 1 1 4  44 18 o 7.278000       1.573000      307.1830      34.8   
1 1 1 4  44 19 o 31.49000       1.951000      816.6024      -39.9  
1 1 1 4  44 20 o 10.61000       1.645000      534.5436      176.6  
1 1 1 4  44 21 o 5.654000       1.589000      138.2036      -110.2 
1 1 1 4  44 22 o 14.08000       1.685000      576.6029      -32.7  
1 1 1 4  44 23 o 4.006000       1.572000      213.8838      -135.4 
1 1 1 4  44 24 o 11.24000       1.693000      547.4363      61.1   
1 1 1 4  44 25 o 15.13000       1.805000      469.7787      144.9  
1 1 1 4  44 26 o 8.489000       1.839000      358.6099      139.9  
1 1 1 4  44 27 o 2.415000       1.833000      284.7775      -34.2  
1 1 1 4  44 28 o 11.63000       2.400000      210.5399      22.0   
1 1 1 4  44 29 o 3.019000       3.857000      171.7832      -135.9 
1 1 1 4  44 30 o 0.9954000      4.033000      223.7567      -104.3 
1 1 1 4  44 31 o 3.820000       2.038000      213.5686      84.7   
1 1 1 4  44 32 o 10.16000       2.095000      528.4796      87.7   
1 1 1 4  44 33 o 8.380000       2.121000      533.3632      -10.6  
1 1 1 4  44 34 o 5.762000       2.108000      278.6964      -142.5 
1 1 1 4  44 35 o 16.95000       2.260000      534.4720      133.6  
1 1 1 4  44 36 o 1.890000       0.8696000     ?             ?      
1 1 1 4  44 37 o -0.3160000E-01 0.8386000     ?             ?      
1 1 1 4  44 38 o 1.158000       0.8856000     ?             ?      
1 1 1 4  44 39 o 11.48000       0.9858000     ?             ?      
1 1 1 4  44 40 o 6.624000       0.9481000     ?             ?      
1 1 1 4  44 41 o 4.491000       0.7685000     ?             ?      
1 1 1 4  44 42 o 2.447000       0.7677000     ?             ?      
1 1 1 4  44 43 o 1.371000       0.8966000     ?             ?      
1 1 1 4  44 44 o -0.5424000     1.091000      ?             ?      
1 1 1 4  44 45 o 1.373000       1.073000      ?             ?      
1 1 1 4  44 46 o 2.331000       1.057000      ?             ?      
1 1 1 4  44 47 o 2.020000       1.219000      ?             ?      
1 1 1 4  44 48 o 6.149000       0.9690000     ?             ?      
1 1 1 4  44 49 o 0.6996000      0.9444000     ?             ?      
1 1 1 4  44 50 o 5.410000       0.9972000     ?             ?      
1 1 1 4  44 51 o 1.574000       1.001000      ?             ?      
1 1 1 4  44 52 o 0.1321000      1.022000      ?             ?      
1 1 1 4  44 53 o 0.2029000      1.038000      ?             ?      
1 1 1 4  44 54 o 2.955000       1.064000      ?             ?      
1 1 1 4  44 55 o -0.4312000     1.077000      ?             ?      
1 1 1 4  44 56 o 0.3720000      1.097000      ?             ?      
1 1 1 4  44 57 o -0.8193000E-02 1.158000      ?             ?      
1 1 1 4  44 58 o 0.5838000      1.295000      ?             ?      
1 1 1 4  45 0  o 4.429000       1.119000      235.4179      -0.0   
1 1 1 4  45 1  o 1.347000       0.7910000     158.9586      -20.4  
1 1 1 4  45 2  o 20.19000       1.097000      661.6851      -41.2  
1 1 1 4  45 3  o 4.316000       0.8647000     286.5136      -139.2 
1 1 1 4  45 4  o 4.105000       0.9451000     317.4122      -2.7   
1 1 1 4  45 5  o -1.344000      0.8249000     143.8446      41.2   
1 1 1 4  45 6  o 4.926000       0.7638000     307.6004      -74.3  
1 1 1 4  45 7  o 18.01000       0.9024000     666.8478      -156.4 
1 1 1 4  45 8  o 7.544000       0.7312000     501.6204      -36.1  
1 1 1 4  45 9  o 7.198000       0.7772000     379.9437      -89.7  
1 1 1 4  45 10 o 4.289000       0.6006000     327.4957      -112.0 
1 1 1 4  45 11 o 1.124000       0.4443000     99.21105      111.1  
1 1 1 4  45 12 o 0.9374000E-01  1.419000      127.3345      167.2  
1 1 1 4  45 13 o 2.092000       1.571000      252.8867      68.9   
1 1 1 4  45 14 o 21.97000       2.171000      681.0845      -29.1  
1 1 1 4  45 15 o 1.181000       1.476000      215.0200      36.9   
1 1 1 4  45 16 o 5.704000       1.505000      273.0020      105.3  
1 1 1 4  45 17 o 41.14000       2.114000      742.8145      72.5   
1 1 1 4  45 18 f 16.60000       1.723000      598.5800      -16.4  
1 1 1 4  45 19 o 12.15000       1.702000      514.8547      -8.3   
1 1 1 4  45 20 o 1.783000       1.634000      182.4096      -73.9  
1 1 1 4  45 21 o 5.005000       1.686000      338.3735      87.6   
1 1 1 4  45 22 o 3.539000       1.686000      376.5417      -28.6  
1 1 1 4  45 23 o 6.285000       1.697000      303.8877      138.3  
1 1 1 4  45 24 o 0.4340000      1.693000      277.9385      -127.5 
1 1 1 4  45 25 o 8.546000       1.845000      434.2070      173.8  
1 1 1 4  45 26 o 6.220000       1.917000      355.5772      80.8   
1 1 1 4  45 27 o 2.857000       1.922000      216.8633      -150.0 
1 1 1 4  45 28 o 7.715000       2.773000      438.3110      126.6  
1 1 1 4  45 30 o 2.025000       2.497000      125.5730      -1.3   
1 1 1 4  45 31 o 20.15000       2.213000      516.5529      177.9  
1 1 1 4  45 32 o 11.05000       2.114000      434.0431      53.8   
1 1 1 4  45 33 o 4.708000       2.087000      425.0765      11.7   
1 1 1 4  45 34 o -0.2104000     2.035000      111.9033      129.0  
1 1 1 4  45 35 o 8.514000       2.084000      ?             ?      
1 1 1 4  45 36 o 5.800000       2.730000      ?             ?      
1 1 1 4  45 37 o -0.5982000     1.518000      ?             ?      
1 1 1 4  45 38 o 12.13000       1.126000      ?             ?      
1 1 1 4  45 39 o -0.8594000     0.8504000     ?             ?      
1 1 1 4  45 40 o 13.63000       1.729000      ?             ?      
1 1 1 4  45 41 o 0.4577000      0.8586000     ?             ?      
1 1 1 4  45 42 o 3.764000       0.6305000     ?             ?      
1 1 1 4  45 43 o 1.290000       0.7497000     ?             ?      
1 1 1 4  45 44 o 0.2472000      0.9454000     ?             ?      
1 1 1 4  45 45 o 0.6822000      1.087000      ?             ?      
1 1 1 4  45 46 o -0.4903000     0.9462000     ?             ?      
1 1 1 4  45 47 o 0.1136000      1.023000      ?             ?      
1 1 1 4  45 48 o 0.6153000      1.202000      ?             ?      
1 1 1 4  45 49 o 0.6786000      0.9257000     ?             ?      
1 1 1 4  45 50 o 2.615000       0.9580000     ?             ?      
1 1 1 4  45 51 o 1.178000       0.9707000     ?             ?      
1 1 1 4  45 52 o 2.902000       1.014000      ?             ?      
1 1 1 4  45 53 o -0.7847000     1.044000      ?             ?      
1 1 1 4  45 54 o 2.796000       1.067000      ?             ?      
1 1 1 4  45 55 o 2.854000       1.092000      ?             ?      
1 1 1 4  45 56 o 1.670000       1.101000      ?             ?      
1 1 1 4  45 57 o -1.062000      1.182000      ?             ?      
1 1 1 4  46 0  o -0.2143000     1.122000      124.8539      180.0  
1 1 1 4  46 1  o 5.113000       0.8244000     342.7063      29.6   
1 1 1 4  46 2  o 1.117000       0.9173000     196.8880      69.8   
1 1 1 4  46 3  o -0.6326000     0.8464000     130.5897      -171.7 
1 1 1 4  46 4  o -1.307000      0.9599000     69.13821      71.0   
1 1 1 4  46 5  o 6.877000       0.9086000     493.7284      -28.8  
1 1 1 4  46 6  o 11.62000       0.8529000     545.0959      -75.1  
1 1 1 4  46 7  o 6.694000       0.8248000     469.2795      -37.7  
1 1 1 4  46 8  o 0.1201000      0.7188000     37.75135      73.9   
1 1 1 4  46 9  o 8.499000       0.8336000     386.3764      92.7   
1 1 1 4  46 10 o 2.039000       0.6067000     37.57642      -44.4  
1 1 1 4  46 11 o 2.219000       0.6706000     140.3238      3.3    
1 1 1 4  46 12 o 3.368000       2.866000      92.12859      -93.7  
1 1 1 4  46 13 o 29.18000       3.759000      627.5809      -93.9  
1 1 1 4  46 14 o 3.813000       1.928000      328.0562      103.5  
1 1 1 4  46 15 o 9.939000       1.594000      369.8250      38.6   
1 1 1 4  46 16 o 5.646000       1.590000      347.5777      -156.8 
1 1 1 4  46 17 o 0.6678000      1.580000      176.2521      80.7   
1 1 1 4  46 18 o 3.630000       1.610000      196.1201      -147.2 
1 1 1 4  46 19 o 9.208000       1.706000      421.4524      154.4  
1 1 1 4  46 20 o 2.306000       1.682000      198.5728      124.3  
1 1 1 4  46 21 o 71.44000       2.937000      ?             ?      
1 1 1 4  46 22 o 4.966000       1.754000      318.0870      -172.1 
1 1 1 4  46 23 o 1.086000       1.761000      260.8957      84.6   
1 1 1 4  46 24 o -1.187000      1.817000      115.0341      -45.8  
1 1 1 4  46 25 o 13.62000       1.994000      437.2703      -131.8 
1 1 1 4  46 26 o 9.591000       1.975000      355.4508      49.8   
1 1 1 4  46 27 o 11.58000       2.448000      387.0268      -142.9 
1 1 1 4  46 28 o 8.188000       4.013000      290.5782      -120.0 
1 1 1 4  46 29 o 10.86000       3.057000      413.0964      -109.6 
1 1 1 4  46 30 o 1.577000       2.028000      185.1955      121.3  
1 1 1 4  46 31 o 3.060000       1.999000      274.5797      122.5  
1 1 1 4  46 32 o 10.34000       2.052000      219.3840      30.5   
1 1 1 4  46 33 o 3.849000       2.014000      ?             ?      
1 1 1 4  46 34 o 13.80000       2.891000      ?             ?      
1 1 1 4  46 35 o 2.177000       1.932000      ?             ?      
1 1 1 4  46 36 o 0.6734000      1.897000      ?             ?      
1 1 1 4  46 37 o 5.450000       1.946000      ?             ?      
1 1 1 4  46 38 o 10.11000       2.872000      ?             ?      
1 1 1 4  46 39 o 0.2190000      0.7951000     ?             ?      
1 1 1 4  46 40 o -0.3179000     0.7832000     ?             ?      
1 1 1 4  46 41 o 0.9695000      0.8316000     ?             ?      
1 1 1 4  46 42 o 1.482000       0.6357000     ?             ?      
1 1 1 4  46 43 o 1.375000       0.9387000     ?             ?      
1 1 1 4  46 44 o 1.809000       0.6732000     ?             ?      
1 1 1 4  46 45 o 1.143000       0.7421000     ?             ?      
1 1 1 4  46 46 o 0.3460000      0.9664000     ?             ?      
1 1 1 4  46 47 o -0.6280000     0.9126000     ?             ?      
1 1 1 4  46 48 o -0.4006000     1.022000      ?             ?      
1 1 1 4  46 49 o 1.694000       1.190000      ?             ?      
1 1 1 4  46 50 o 1.602000       1.069000      ?             ?      
1 1 1 4  46 51 o -0.1841000E-01 0.9474000     ?             ?      
1 1 1 4  46 52 o 2.037000       1.011000      ?             ?      
1 1 1 4  46 53 o 3.749000       1.037000      ?             ?      
1 1 1 4  46 54 o 0.1825000      1.049000      ?             ?      
1 1 1 4  46 55 o 1.940000       1.046000      ?             ?      
1 1 1 4  46 56 o -0.5494000E-01 1.143000      ?             ?      
1 1 1 4  47 0  o 41.50000       1.802000      750.9851      0.0    
1 1 1 4  47 1  o 0.8167000      0.8272000     89.48627      -60.7  
1 1 1 4  47 2  o 2.290000       0.8969000     218.2225      -116.2 
1 1 1 4  47 3  o 18.03000       1.109000      599.3569      101.3  
1 1 1 4  47 4  o 21.36000       1.282000      645.9536      51.9   
1 1 1 4  47 5  o 2.860000       1.004000      117.5273      -59.1  
1 1 1 4  47 6  o 1.176000       0.8031000     199.0384      -53.9  
1 1 1 4  47 7  o -0.2079000     0.7963000     121.6942      -10.6  
1 1 1 4  47 8  o 3.028000       0.8273000     259.9442      48.1   
1 1 1 4  47 9  o 25.74000       1.063000      749.0872      -130.2 
1 1 1 4  47 10 o 10.39000       0.8708000     487.3746      -9.2   
1 1 1 4  47 11 o 5.173000       0.7634000     166.1544      21.3   
1 1 1 4  47 12 o -0.2497000     1.343000      160.6309      12.2   
1 1 1 4  47 13 o 4.187000       1.660000      240.1184      24.4   
1 1 1 4  47 14 o 27.79000       1.920000      687.8227      -39.6  
1 1 1 4  47 15 o -1.192000      1.584000      77.12487      104.9  
1 1 1 4  47 16 o 1.544000       1.628000      236.6933      -104.0 
1 1 1 4  47 17 o 9.511000       1.717000      333.2441      -32.7  
1 1 1 4  47 18 o -1.725000      1.675000      98.39069      -36.1  
1 1 1 4  47 19 o 4.168000       1.734000      226.4337      -40.7  
1 1 1 4  47 20 o 5.352000       1.783000      362.7100      55.4   
1 1 1 4  47 21 o 10.31000       1.876000      489.9938      13.8   
1 1 1 4  47 22 o 2.116000       1.807000      115.5391      63.0   
1 1 1 4  47 23 o -0.8123000E-01 1.817000      86.90681      -116.6 
1 1 1 4  47 24 o 4.519000       1.875000      254.2193      -83.6  
1 1 1 4  47 25 o -0.8294000     1.883000      11.69137      -57.9  
1 1 1 4  47 26 o -4.126000      1.890000      26.26051      120.1  
1 1 1 4  47 27 o 3.705000       2.688000      354.4581      142.4  
1 1 1 4  47 28 o 1.274000       4.200000      283.5950      47.4   
1 1 1 4  47 29 o 11.63000       2.581000      422.4784      -33.9  
1 1 1 4  47 30 o 8.705000       2.019000      227.9623      141.0  
1 1 1 4  47 31 o -1.259000      1.946000      ?             ?      
1 1 1 4  47 32 o 3.108000       1.978000      ?             ?      
1 1 1 4  47 33 o -2.218000      1.925000      ?             ?      
1 1 1 4  47 34 o 3.609000       1.946000      ?             ?      
1 1 1 4  47 35 o 1.351000       1.885000      ?             ?      
1 1 1 4  47 36 o 0.9848000      1.903000      ?             ?      
1 1 1 4  47 37 o 0.6734000      1.887000      ?             ?      
1 1 1 4  47 38 o 5.174000       1.930000      ?             ?      
1 1 1 4  47 39 o 0.7916000      1.895000      ?             ?      
1 1 1 4  47 40 o 2.223000       1.498000      ?             ?      
1 1 1 4  47 41 o 0.3315000E-01  0.7832000     ?             ?      
1 1 1 4  47 42 o 2.114000       0.8778000     ?             ?      
1 1 1 4  47 43 o -0.1753000     1.168000      ?             ?      
1 1 1 4  47 44 o -0.8152000     0.8455000     ?             ?      
1 1 1 4  47 45 o 2.126000       0.8950000     ?             ?      
1 1 1 4  47 46 o 0.9128000      0.7234000     ?             ?      
1 1 1 4  47 47 o 0.9290000E-01  0.9485000     ?             ?      
1 1 1 4  47 48 o 2.111000       1.016000      ?             ?      
1 1 1 4  47 49 o -0.1382000     0.8254000     ?             ?      
1 1 1 4  47 50 o 2.326000       1.186000      ?             ?      
1 1 1 4  47 51 o 0.3732000      1.097000      ?             ?      
1 1 1 4  47 52 o 1.674000       0.9498000     ?             ?      
1 1 1 4  47 53 o -1.427000      0.9902000     ?             ?      
1 1 1 4  47 54 o 3.128000       1.039000      ?             ?      
1 1 1 4  47 55 o 1.801000       1.060000      ?             ?      
1 1 1 4  48 0  o 25.33000       1.532000      542.2623      -180.0 
1 1 1 4  48 1  o 3.058000       0.8609000     174.3443      -35.1  
1 1 1 4  48 2  o 2.530000       0.8666000     221.6440      -154.8 
1 1 1 4  48 3  o 5.108000       1.023000      369.5432      39.3   
1 1 1 4  48 4  o 13.31000       1.204000      543.5627      175.0  
1 1 1 4  48 5  o 3.004000       1.178000      204.5239      -89.2  
1 1 1 4  48 6  f 4.929000       0.9730000     257.8973      10.6   
1 1 1 4  48 7  o 5.022000       0.9206000     267.4138      31.6   
1 1 1 4  48 8  o 14.81000       1.017000      450.6658      152.1  
1 1 1 4  48 9  o 1.247000       0.8727000     143.8241      3.6    
1 1 1 4  48 10 o 3.351000       0.7960000     248.8280      -19.5  
1 1 1 4  48 11 o 1.083000       0.5510000     113.5016      -13.2  
1 1 1 4  48 12 o 1.158000       1.780000      56.48172      -165.3 
1 1 1 4  48 13 o 0.2674000      1.652000      31.61665      -42.1  
1 1 1 4  48 14 o 7.741000       1.672000      385.8311      121.9  
1 1 1 4  48 15 o 6.496000       1.686000      454.3383      0.9    
1 1 1 4  48 16 o 9.217000       1.749000      386.8200      -106.2 
1 1 1 4  48 17 o 1.679000       1.714000      173.3542      158.1  
1 1 1 4  48 18 o 0.8493000      1.736000      219.0625      74.2   
1 1 1 4  48 19 o 6.520000       1.835000      377.6071      59.2   
1 1 1 4  48 20 o 5.546000       1.859000      212.5536      -73.2  
1 1 1 4  48 21 o 0.3930000E-01  1.822000      187.4946      -54.4  
1 1 1 4  48 22 o 14.23000       1.983000      472.9016      116.3  
1 1 1 4  48 23 o 1.148000       1.892000      258.1080      -1.0   
1 1 1 4  48 24 o 1.031000       1.905000      158.2332      -2.6   
1 1 1 4  48 25 o 0.6478000      1.925000      109.7041      145.3  
1 1 1 4  48 26 o 3.830000       2.393000      204.6031      147.3  
1 1 1 4  48 27 o -3.941000      3.897000      156.4267      172.3  
1 1 1 4  48 28 o 1.638000       2.903000      318.1999      98.4   
1 1 1 4  48 29 o 2.157000       1.979000      ?             ?      
1 1 1 4  48 30 o 7.410000       1.998000      ?             ?      
1 1 1 4  48 31 o 0.3321000      1.924000      ?             ?      
1 1 1 4  48 32 o 4.905000       1.983000      ?             ?      
1 1 1 4  48 33 o -0.8150000     1.925000      ?             ?      
1 1 1 4  48 34 o 0.4831000      1.918000      ?             ?      
1 1 1 4  48 35 o 0.3146000      1.906000      ?             ?      
1 1 1 4  48 36 o 1.391000       1.873000      ?             ?      
1 1 1 4  48 37 o 3.010000       1.867000      ?             ?      
1 1 1 4  48 38 o 2.395000       1.913000      ?             ?      
1 1 1 4  48 39 o 5.830000       1.963000      ?             ?      
1 1 1 4  48 40 o -1.244000      1.921000      ?             ?      
1 1 1 4  48 41 o 0.2955000E-01  2.317000      ?             ?      
1 1 1 4  48 42 o 2.241000       1.496000      ?             ?      
1 1 1 4  48 43 o 0.7961000      0.8278000     ?             ?      
1 1 1 4  48 44 o 3.356000       0.8599000     ?             ?      
1 1 1 4  48 45 o -0.5057000E-01 1.004000      ?             ?      
1 1 1 4  48 46 o 1.356000       0.8457000     ?             ?      
1 1 1 4  48 47 o -0.5446000     0.9032000     ?             ?      
1 1 1 4  48 48 o -1.727000      0.9212000     ?             ?      
1 1 1 4  48 49 o 0.7874000      0.9943000     ?             ?      
1 1 1 4  48 50 o -0.3138000     0.7985000     ?             ?      
1 1 1 4  48 51 o 2.276000       1.061000      ?             ?      
1 1 1 4  48 52 o 0.6207000      1.244000      ?             ?      
1 1 1 4  48 53 o 0.1799000E-01  0.9501000     ?             ?      
1 1 1 4  48 54 o -0.2961000E-02 2.205000      ?             ?      
1 1 1 4  49 0  o -2.125000      1.231000      58.10312      0.0    
1 1 1 4  49 1  o 1.166000       0.8749000     162.6186      -87.6  
1 1 1 4  49 2  o 6.254000       0.9595000     282.5082      110.8  
1 1 1 4  49 3  o 0.5843000      1.176000      113.4193      41.2   
1 1 1 4  49 4  o 1.229000       1.009000      208.2402      -157.8 
1 1 1 4  49 5  f -0.3628000     1.239000      65.05167      -95.9  
1 1 1 4  49 6  o 3.991000       1.205000      197.4577      83.7   
1 1 1 4  49 7  o 3.084000       0.9787000     170.1461      49.2   
1 1 1 4  49 8  o 7.564000       0.9309000     228.3627      88.9   
1 1 1 4  49 9  o 3.674000       0.7980000     275.4465      -55.0  
1 1 1 4  49 10 o 3.343000       0.6325000     158.3885      -43.4  
1 1 1 4  49 11 o 2.214000       0.7107000     205.3456      177.2  
1 1 1 4  49 12 o 1.505000       1.802000      277.4202      1.7    
1 1 1 4  49 13 o 4.159000       1.261000      257.4604      -44.8  
1 1 1 4  49 14 o 3.191000       1.688000      153.8091      69.1   
1 1 1 4  49 15 o 0.3569000      1.710000      167.6981      -56.4  
1 1 1 4  49 16 o 4.245000       1.769000      300.2155      -133.8 
1 1 1 4  49 17 o 6.357000       1.807000      227.8727      130.3  
1 1 1 4  49 18 o -3.425000      1.771000      52.97882      142.3  
1 1 1 4  49 19 o 5.312000       1.848000      283.0842      -9.4   
1 1 1 4  49 20 o 0.5349000      1.813000      263.2830      65.0   
1 1 1 4  49 21 o 4.309000       1.871000      240.0929      51.4   
1 1 1 4  49 22 o -1.026000      1.875000      242.9823      172.4  
1 1 1 4  49 23 o 8.272000       1.939000      284.4839      -132.8 
1 1 1 4  49 24 o -1.294000      1.894000      173.1131      38.2   
1 1 1 4  49 25 o 4.336000       1.931000      233.5808      139.4  
1 1 1 4  49 26 o 14.55000       2.892000      ?             ?      
1 1 1 4  49 27 o -0.6001000     4.327000      ?             ?      
1 1 1 4  49 28 o -0.6642000     2.408000      ?             ?      
1 1 1 4  49 29 o 2.054000       1.910000      ?             ?      
1 1 1 4  49 30 o 2.548000       1.921000      ?             ?      
1 1 1 4  49 31 o -1.418000      1.889000      ?             ?      
1 1 1 4  49 32 o 3.336000       1.946000      ?             ?      
1 1 1 4  49 33 o 2.187000       1.928000      ?             ?      
1 1 1 4  49 34 o 8.332000       1.941000      ?             ?      
1 1 1 4  49 35 o 2.067000       1.882000      ?             ?      
1 1 1 4  49 36 o -1.414000      1.866000      ?             ?      
1 1 1 4  49 37 o 1.272000       1.913000      ?             ?      
1 1 1 4  49 38 o 2.187000       1.925000      ?             ?      
1 1 1 4  49 39 o 1.004000       1.926000      ?             ?      
1 1 1 4  49 40 o 2.300000       1.948000      ?             ?      
1 1 1 4  49 41 o 3.519000       2.600000      ?             ?      
1 1 1 4  49 42 o -2.176000      2.317000      ?             ?      
1 1 1 4  49 43 o -3.107000      2.542000      ?             ?      
1 1 1 4  49 44 o -0.3533000     0.7805000     ?             ?      
1 1 1 4  49 45 o 0.2252000E-01  0.8068000     ?             ?      
1 1 1 4  49 46 o 1.135000       0.9928000     ?             ?      
1 1 1 4  49 47 o 0.5754000      0.6255000     ?             ?      
1 1 1 4  49 48 o -1.100000      0.8536000     ?             ?      
1 1 1 4  49 49 o 0.5013000      0.7624000     ?             ?      
1 1 1 4  49 50 o -0.7728000     0.9730000     ?             ?      
1 1 1 4  49 51 o -0.4279000     0.9249000     ?             ?      
1 1 1 4  49 52 o -0.4763000     1.099000      ?             ?      
1 1 1 4  50 0  o 2.335000       1.829000      53.61522      -180.0 
1 1 1 4  50 1  o 2.556000       1.113000      108.8582      53.4   
1 1 1 4  50 2  o 1.345000       1.006000      202.9301      96.7   
1 1 1 4  50 3  o 4.494000       1.013000      245.3751      -105.0 
1 1 1 4  50 4  o 5.120000       1.217000      207.8589      -133.0 
1 1 1 4  50 5  o 4.229000       1.081000      149.2426      -78.6  
1 1 1 4  50 6  o 4.105000       0.9618000     128.2098      104.5  
1 1 1 4  50 7  o 7.573000       0.8647000     273.6841      170.0  
1 1 1 4  50 8  o 0.9886000      0.7538000     93.19526      -60.6  
1 1 1 4  50 9  o -1.728000      0.8135000     235.1626      -23.6  
1 1 1 4  50 10 o -0.3449000     0.6120000     36.42691      -73.4  
1 1 1 4  50 11 o 2.030000       0.5066000     148.4264      4.7    
1 1 1 4  50 12 o 0.7815000      1.819000      37.82751      -78.6  
1 1 1 4  50 13 o 0.4513000      1.240000      90.61496      -174.7 
1 1 1 4  50 14 o 1.261000       1.285000      151.2137      -10.8  
1 1 1 4  50 15 o 6.604000       1.791000      243.7481      -65.4  
1 1 1 4  50 16 o 3.628000       1.775000      149.5115      -129.2 
1 1 1 4  50 17 o -0.8520000     1.771000      9.897058      30.5   
1 1 1 4  50 18 o 12.21000       1.906000      269.3091      -13.6  
1 1 1 4  50 19 o 1.037000       1.785000      62.57098      122.4  
1 1 1 4  50 20 o 8.298000       1.882000      294.3517      -134.2 
1 1 1 4  50 21 o 3.037000       1.879000      179.3065      -27.6  
1 1 1 4  50 22 o 13.34000       1.999000      386.9198      142.3  
1 1 1 4  50 23 o 3.780000       1.858000      213.7714      -51.8  
1 1 1 4  50 24 o -0.6436000     1.852000      ?             ?      
1 1 1 4  50 25 o 0.5446000      2.290000      ?             ?      
1 1 1 4  50 26 o 4.667000       3.797000      ?             ?      
1 1 1 4  50 27 o 2.811000       2.847000      ?             ?      
1 1 1 4  50 28 o -0.6068000E-01 1.912000      ?             ?      
1 1 1 4  50 29 o 3.727000       1.910000      ?             ?      
1 1 1 4  50 30 o 5.122000       1.913000      ?             ?      
1 1 1 4  50 31 o -1.811000      1.855000      ?             ?      
1 1 1 4  50 32 o 1.301000       1.853000      ?             ?      
1 1 1 4  50 33 o 1.506000       1.867000      ?             ?      
1 1 1 4  50 34 o 2.160000       1.870000      ?             ?      
1 1 1 4  50 35 o 3.978000       2.711000      ?             ?      
1 1 1 4  50 36 o 1.645000       1.880000      ?             ?      
1 1 1 4  50 37 o 1.437000       1.898000      ?             ?      
1 1 1 4  50 38 o -1.489000      1.891000      ?             ?      
1 1 1 4  50 39 o 1.779000       1.934000      ?             ?      
1 1 1 4  50 40 o 3.174000       2.351000      ?             ?      
1 1 1 4  50 41 o 2.039000       3.897000      ?             ?      
1 1 1 4  50 42 o 2.383000       3.019000      ?             ?      
1 1 1 4  50 43 o 2.591000       2.008000      ?             ?      
1 1 1 4  50 44 o 1.818000       1.975000      ?             ?      
1 1 1 4  50 45 o 0.8261000      1.514000      ?             ?      
1 1 1 4  50 46 o 0.3509000      0.8126000     ?             ?      
1 1 1 4  50 47 o 0.2846000      0.8878000     ?             ?      
1 1 1 4  50 48 o 0.5454000      1.045000      ?             ?      
1 1 1 4  50 49 o 0.1139000      0.8312000     ?             ?      
1 1 1 4  50 50 o 0.1202000      0.8808000     ?             ?      
1 1 1 4  50 51 o -0.6416000     1.262000      ?             ?      
1 1 1 4  51 0  o 0.2352000      1.939000      172.2958      180.0  
1 1 1 4  51 1  o 2.016000       1.213000      122.6268      -42.0  
1 1 1 4  51 2  o 3.394000       1.024000      77.31368      58.6   
1 1 1 4  51 3  o 5.667000       1.211000      251.0996      -113.1 
1 1 1 4  51 4  o 0.6975000      1.178000      169.7443      50.0   
1 1 1 4  51 5  o 7.402000       1.094000      277.2734      38.2   
1 1 1 4  51 6  o 8.019000       1.213000      270.6648      -36.0  
1 1 1 4  51 7  o 0.6687000      0.8363000     83.45962      -34.9  
1 1 1 4  51 8  o 5.427000       0.7909000     234.5894      -81.4  
1 1 1 4  51 9  o 0.6715000E-01  0.8196000     75.48869      32.2   
1 1 1 4  51 10 o 1.574000       0.6165000     197.0033      73.7   
1 1 1 4  51 11 o -1.247000      1.768000      217.2351      -59.4  
1 1 1 4  51 12 o 2.081000       1.389000      135.6299      -128.6 
1 1 1 4  51 13 o 5.889000       1.699000      249.6088      61.6   
1 1 1 4  51 14 o 1.622000       1.254000      120.6287      70.9   
1 1 1 4  51 15 o 1.887000       1.733000      198.2647      -41.9  
1 1 1 4  51 16 o 5.649000       1.771000      161.2497      177.1  
1 1 1 4  51 17 o 12.15000       1.895000      295.1023      97.8   
1 1 1 4  51 18 o 4.227000       1.815000      262.6559      -43.5  
1 1 1 4  51 19 o 5.706000       1.812000      220.4046      53.6   
1 1 1 4  51 20 o 10.46000       1.915000      325.3969      96.6   
1 1 1 4  51 21 o -2.724000      1.825000      ?             ?      
1 1 1 4  51 22 o -0.4991000     1.828000      ?             ?      
1 1 1 4  51 23 o 0.1884000      1.830000      ?             ?      
1 1 1 4  51 24 o 2.447000       1.846000      ?             ?      
1 1 1 4  51 25 o 0.7275000      2.507000      ?             ?      
1 1 1 4  51 26 o -1.799000      3.931000      ?             ?      
1 1 1 4  51 27 o -2.694000      2.308000      ?             ?      
1 1 1 4  51 28 o 9.911000       1.974000      ?             ?      
1 1 1 4  51 29 o -0.2009000     1.872000      ?             ?      
1 1 1 4  51 30 o -2.517000      1.854000      ?             ?      
1 1 1 4  51 31 o 3.249000       1.868000      ?             ?      
1 1 1 4  51 32 o -2.792000      1.828000      ?             ?      
1 1 1 4  51 33 o 1.471000       1.882000      ?             ?      
1 1 1 4  51 34 o 6.675000       1.938000      ?             ?      
1 1 1 4  51 35 o -1.595000      1.858000      ?             ?      
1 1 1 4  51 36 o -2.059000      1.863000      ?             ?      
1 1 1 4  51 37 o -1.355000      1.895000      ?             ?      
1 1 1 4  51 38 o 0.6982000      1.921000      ?             ?      
1 1 1 4  51 39 o -1.390000      1.923000      ?             ?      
1 1 1 4  51 40 o -0.2780000     2.615000      ?             ?      
1 1 1 4  51 41 o 2.625000       4.359000      ?             ?      
1 1 1 4  51 42 o -0.5401000     2.544000      ?             ?      
1 1 1 4  51 43 o 2.489000       1.964000      ?             ?      
1 1 1 4  51 44 o -2.076000      1.993000      ?             ?      
1 1 1 4  51 45 o 4.505000       2.459000      ?             ?      
1 1 1 4  51 46 o 2.737000       2.432000      ?             ?      
1 1 1 4  51 47 o 0.8028000      1.550000      ?             ?      
1 1 1 4  51 48 o 0.1234000      0.8410000     ?             ?      
1 1 1 4  51 49 o -0.4552000     1.067000      ?             ?      
1 1 1 4  51 50 o 0.4698000      2.222000      ?             ?      
1 1 1 4  52 0  o 11.65000       1.476000      155.9943      -0.0   
1 1 1 4  52 1  o 2.340000       0.9847000     93.56095      168.1  
1 1 1 4  52 2  o -0.1995000E-01 1.026000      72.58588      -157.5 
1 1 1 4  52 3  o 6.004000       1.294000      225.1104      -137.4 
1 1 1 4  52 4  o 3.182000       1.226000      103.8504      -34.3  
1 1 1 4  52 5  o 0.1370000      1.299000      74.48838      161.1  
1 1 1 4  52 6  o 1.015000       1.251000      127.2392      142.1  
1 1 1 4  52 7  o -0.1368000     0.8624000     97.11588      34.2   
1 1 1 4  52 8  o 3.454000       0.8300000     164.2764      -31.2  
1 1 1 4  52 9  o 4.157000       0.8903000     164.4862      -38.4  
1 1 1 4  52 10 o 4.296000       0.6615000     138.4073      6.0    
1 1 1 4  52 11 f 1.759000       1.808000      27.43663      62.8   
1 1 1 4  52 12 o 0.8786000      1.387000      92.05826      -79.7  
1 1 1 4  52 13 o 3.163000       1.711000      170.2395      -163.0 
1 1 1 4  52 14 o 1.419000       1.688000      92.59635      64.9   
1 1 1 4  52 15 o 1.341000       1.709000      87.16140      -102.3 
1 1 1 4  52 16 o 7.659000       1.786000      112.2259      -172.0 
1 1 1 4  52 17 o 4.213000       1.782000      ?             ?      
1 1 1 4  52 18 o 2.627000       1.783000      ?             ?      
1 1 1 4  52 19 o 9.034000       1.867000      ?             ?      
1 1 1 4  52 20 f -2.601000      1.809000      ?             ?      
1 1 1 4  52 21 o 1.968000       1.822000      ?             ?      
1 1 1 4  52 22 o -0.6472000E-01 1.796000      ?             ?      
1 1 1 4  52 23 o 1.248000       1.809000      ?             ?      
1 1 1 4  52 24 o 3.411000       2.201000      ?             ?      
1 1 1 4  52 25 o 2.003000       3.549000      ?             ?      
1 1 1 4  52 26 o 2.813000       2.873000      ?             ?      
1 1 1 4  52 27 o 3.623000       1.889000      ?             ?      
1 1 1 4  52 28 o 1.230000       1.844000      ?             ?      
1 1 1 4  52 29 o 0.4501000      1.823000      ?             ?      
1 1 1 4  52 30 o 0.8262000      1.850000      ?             ?      
1 1 1 4  52 31 o -0.1703000     1.848000      ?             ?      
1 1 1 4  52 32 o 7.848000       2.360000      ?             ?      
1 1 1 4  52 33 o 12.97000       2.050000      ?             ?      
1 1 1 4  52 34 o 1.991000       1.886000      ?             ?      
1 1 1 4  52 35 o 0.6234000      1.882000      ?             ?      
1 1 1 4  52 36 o 0.7650000      1.892000      ?             ?      
1 1 1 4  52 37 o 3.000000       1.949000      ?             ?      
1 1 1 4  52 38 o 5.072000       1.962000      ?             ?      
1 1 1 4  52 39 o 3.890000       2.323000      ?             ?      
1 1 1 4  52 40 o 0.5420000      3.910000      ?             ?      
1 1 1 4  52 41 o -3.745000      2.913000      ?             ?      
1 1 1 4  52 42 o 1.293000       2.351000      ?             ?      
1 1 1 4  52 43 o 1.633000       2.361000      ?             ?      
1 1 1 4  52 44 o -0.2394000     2.361000      ?             ?      
1 1 1 4  52 45 o -2.735000      2.393000      ?             ?      
1 1 1 4  52 46 o -1.134000      2.412000      ?             ?      
1 1 1 4  52 47 o -2.842000      2.407000      ?             ?      
1 1 1 4  52 48 o -1.456000      4.011000      ?             ?      
1 1 1 4  53 0  o -0.6019000     1.378000      122.1309      180.0  
1 1 1 4  53 1  o 6.115000       1.009000      106.6008      -6.6   
1 1 1 4  53 2  o 7.033000       1.002000      93.24741      70.1   
1 1 1 4  53 3  o 2.525000       0.9576000     48.70507      12.9   
1 1 1 4  53 4  o 2.589000       1.118000      122.2347      -58.5  
1 1 1 4  53 5  o 0.4533000      1.018000      46.69420      -102.2 
1 1 1 4  53 6  o 2.861000       1.436000      44.97441      -161.1 
1 1 1 4  53 7  o 1.007000       0.9700000     78.22680      -87.7  
1 1 1 4  53 8  o 2.644000       0.8433000     65.17072      29.6   
1 1 1 4  53 9  o 8.574000       1.266000      180.7371      85.8   
1 1 1 4  53 10 o 2.212000       0.6326000     22.32880      63.5   
1 1 1 4  53 11 o 0.2060000      1.862000      62.62745      -112.5 
1 1 1 4  53 12 o -0.4189000     1.418000      ?             ?      
1 1 1 4  53 13 o 7.121000       1.759000      ?             ?      
1 1 1 4  53 14 o 4.641000       1.713000      ?             ?      
1 1 1 4  53 15 o 3.369000       1.718000      ?             ?      
1 1 1 4  53 16 o 4.939000       1.789000      ?             ?      
1 1 1 4  53 17 o -0.7749000     1.744000      ?             ?      
1 1 1 4  53 18 o 4.189000       1.773000      ?             ?      
1 1 1 4  53 19 o -0.8527000     1.775000      ?             ?      
1 1 1 4  53 20 o 3.516000       1.775000      ?             ?      
1 1 1 4  53 21 o 0.2034000      1.775000      ?             ?      
1 1 1 4  53 22 o -1.512000      1.749000      ?             ?      
1 1 1 4  53 23 o 0.4197000      1.771000      ?             ?      
1 1 1 4  53 24 o 0.7255000      2.424000      ?             ?      
1 1 1 4  53 25 o -4.124000      4.007000      ?             ?      
1 1 1 4  53 26 o 0.7089000      2.357000      ?             ?      
1 1 1 4  53 27 o -0.3165000     1.804000      ?             ?      
1 1 1 4  53 28 o -2.733000      1.813000      ?             ?      
1 1 1 4  53 29 o 0.9559000      1.842000      ?             ?      
1 1 1 4  53 30 o 0.1571000      1.852000      ?             ?      
1 1 1 4  53 31 o 3.154000       1.894000      ?             ?      
1 1 1 4  53 32 o -0.1188000     1.899000      ?             ?      
1 1 1 4  53 33 o 4.211000       1.914000      ?             ?      
1 1 1 4  53 34 o -1.220000      1.892000      ?             ?      
1 1 1 4  53 35 o 2.999000       1.935000      ?             ?      
1 1 1 4  53 36 o 1.526000       1.919000      ?             ?      
1 1 1 4  53 37 o 3.013000       1.955000      ?             ?      
1 1 1 4  53 38 o 4.003000       1.974000      ?             ?      
1 1 1 4  53 39 o -0.5570000     2.594000      ?             ?      
1 1 1 4  53 40 o -4.847000      4.321000      ?             ?      
1 1 1 4  53 41 o 0.3294000      2.676000      ?             ?      
1 1 1 4  53 42 o 0.5604000      2.340000      ?             ?      
1 1 1 4  53 43 o 1.531000       2.398000      ?             ?      
1 1 1 4  53 44 o 4.251000       2.439000      ?             ?      
1 1 1 4  53 45 o 2.081000       2.458000      ?             ?      
1 1 1 4  53 46 o 0.1564000      2.418000      ?             ?      
1 1 1 4  53 47 o -1.657000      2.774000      ?             ?      
1 1 1 4  54 0  o 2.461000       1.375000      ?             ?      
1 1 1 4  54 1  o -1.938000      0.9520000     ?             ?      
1 1 1 4  54 2  o 2.938000       0.9451000     ?             ?      
1 1 1 4  54 3  o 2.787000       0.9294000     ?             ?      
1 1 1 4  54 4  o 5.419000       1.112000      ?             ?      
1 1 1 4  54 5  o 0.3870000E-01  0.9483000     ?             ?      
1 1 1 4  54 6  o 0.2720000E-01  1.083000      ?             ?      
1 1 1 4  54 7  o 1.246000       0.9168000     ?             ?      
1 1 1 4  54 8  o -1.175000      0.7782000     ?             ?      
1 1 1 4  54 9  o -0.1848000     0.8125000     ?             ?      
1 1 1 4  54 10 o 0.4154000      0.5769000     ?             ?      
1 1 1 4  54 11 o 0.2351000      1.872000      ?             ?      
1 1 1 4  54 12 o 0.2855000      0.8947000     ?             ?      
1 1 1 4  54 13 o -1.868000      1.988000      ?             ?      
1 1 1 4  54 14 o 0.4024000      2.218000      ?             ?      
1 1 1 4  54 15 o 3.377000       1.993000      ?             ?      
1 1 1 4  54 16 o 0.9524000E-01  2.028000      ?             ?      
1 1 1 4  54 17 o -1.428000      1.715000      ?             ?      
1 1 1 4  54 18 o 2.650000       1.729000      ?             ?      
1 1 1 4  54 19 o -1.369000      1.735000      ?             ?      
1 1 1 4  54 20 o 0.2863000      1.761000      ?             ?      
1 1 1 4  54 21 o 3.673000       1.769000      ?             ?      
1 1 1 4  54 22 o 0.8182000E-02  1.747000      ?             ?      
1 1 1 4  54 23 o -1.342000      2.065000      ?             ?      
1 1 1 4  54 24 o -1.768000      3.377000      ?             ?      
1 1 1 4  54 25 o 5.096000       3.993000      ?             ?      
1 1 1 4  54 26 o 1.512000       1.797000      ?             ?      
1 1 1 4  54 27 o 1.643000       1.800000      ?             ?      
1 1 1 4  54 28 o -0.1506000     1.813000      ?             ?      
1 1 1 4  54 29 o 0.7657000      1.825000      ?             ?      
1 1 1 4  54 30 o -0.3987000     1.841000      ?             ?      
1 1 1 4  54 31 o 6.281000       1.892000      ?             ?      
1 1 1 4  54 32 f 1.165000       1.853000      ?             ?      
1 1 1 4  54 33 o -2.745000      1.842000      ?             ?      
1 1 1 4  54 34 o 4.033000       1.911000      ?             ?      
1 1 1 4  54 35 o -0.7076000     1.914000      ?             ?      
1 1 1 4  54 36 o 0.7902000E-01  1.884000      ?             ?      
1 1 1 4  54 37 o -0.4927000     1.887000      ?             ?      
1 1 1 4  54 38 o -1.559000      2.316000      ?             ?      
1 1 1 4  54 39 o 5.117000       4.056000      ?             ?      
1 1 1 4  54 40 o 6.206000       4.221000      ?             ?      
1 1 1 4  54 41 o -1.913000      2.329000      ?             ?      
1 1 1 4  54 42 o -3.004000      2.367000      ?             ?      
1 1 1 4  54 43 o -0.6849000     2.394000      ?             ?      
1 1 1 4  54 44 o -2.255000      2.419000      ?             ?      
1 1 1 4  54 45 o 1.204000       2.414000      ?             ?      
1 1 1 4  55 0  o 4.958000       1.308000      ?             ?      
1 1 1 4  55 1  o 3.285000       0.9274000     ?             ?      
1 1 1 4  55 2  o 2.721000       0.9228000     ?             ?      
1 1 1 4  55 3  o 2.051000       0.9126000     ?             ?      
1 1 1 4  55 4  o 8.965000       1.150000      ?             ?      
1 1 1 4  55 5  o -0.9627000E-01 0.9385000     ?             ?      
1 1 1 4  55 6  o -1.138000      1.027000      ?             ?      
1 1 1 4  55 7  o 0.2101000      0.8898000     ?             ?      
1 1 1 4  55 8  o 2.442000       0.7576000     ?             ?      
1 1 1 4  55 9  o 3.530000       0.7245000     ?             ?      
1 1 1 4  55 10 f 0.4258000      0.5471000     ?             ?      
1 1 1 4  55 11 o -0.9053000     1.351000      ?             ?      
1 1 1 4  55 12 o 1.482000       1.251000      ?             ?      
1 1 1 4  55 13 o -0.2378000     2.064000      ?             ?      
1 1 1 4  55 14 o 0.8649000      2.145000      ?             ?      
1 1 1 4  55 15 o -0.2844000     2.213000      ?             ?      
1 1 1 4  55 16 o -0.3822000     2.020000      ?             ?      
1 1 1 4  55 17 o 0.5207000      2.023000      ?             ?      
1 1 1 4  55 18 o -1.284000      2.243000      ?             ?      
1 1 1 4  55 19 o -0.1268000E-01 2.003000      ?             ?      
1 1 1 4  55 20 o 1.228000       1.739000      ?             ?      
1 1 1 4  55 21 o -1.088000      1.737000      ?             ?      
1 1 1 4  55 22 o 2.286000       1.767000      ?             ?      
1 1 1 4  55 23 o -1.294000      2.383000      ?             ?      
1 1 1 4  55 24 o -1.423000      3.966000      ?             ?      
1 1 1 4  55 25 o 2.562000       2.355000      ?             ?      
1 1 1 4  55 26 o 1.932000       1.797000      ?             ?      
1 1 1 4  55 27 o -1.735000      1.786000      ?             ?      
1 1 1 4  55 28 o -1.496000      1.773000      ?             ?      
1 1 1 4  55 29 o 0.7925000      2.154000      ?             ?      
1 1 1 4  55 30 o 3.292000       1.854000      ?             ?      
1 1 1 4  55 31 o 0.2014000E-01  1.830000      ?             ?      
1 1 1 4  55 32 o 0.6247000      1.843000      ?             ?      
1 1 1 4  55 33 o -0.8994000     1.827000      ?             ?      
1 1 1 4  55 34 o -1.102000      1.870000      ?             ?      
1 1 1 4  55 35 o 1.635000       1.906000      ?             ?      
1 1 1 4  55 36 o 0.2394000      1.898000      ?             ?      
1 1 1 4  55 37 o -0.5129000     2.320000      ?             ?      
1 1 1 4  55 38 o 1.911000       2.650000      ?             ?      
1 1 1 4  55 40 o -1.671000      2.395000      ?             ?      
1 1 1 4  55 41 o 2.014000       2.413000      ?             ?      
1 1 1 4  55 42 o 3.727000       2.452000      ?             ?      
1 1 1 4  55 43 o -2.382000      3.982000      ?             ?      
1 1 1 4  55 44 o -1.796000      2.447000      ?             ?      
1 1 1 4  56 0  o 0.1090000      1.251000      ?             ?      
1 1 1 4  56 1  o -0.8557000     0.8778000     ?             ?      
1 1 1 4  56 2  o 3.799000       0.8994000     ?             ?      
1 1 1 4  56 3  o 0.5857000      0.8841000     ?             ?      
1 1 1 4  56 4  o -0.4585000     0.9809000     ?             ?      
1 1 1 4  56 5  o 0.9425000      0.9153000     ?             ?      
1 1 1 4  56 6  o -0.5576000     1.004000      ?             ?      
1 1 1 4  56 7  o -0.4543000     0.9919000     ?             ?      
1 1 1 4  56 8  o -0.1913000E-01 0.7621000     ?             ?      
1 1 1 4  56 9  o -0.5725000     0.7810000     ?             ?      
1 1 1 4  56 10 o 0.4664000      0.5333000     ?             ?      
1 1 1 4  56 11 o 1.741000       1.356000      ?             ?      
1 1 1 4  56 12 o 1.565000       1.246000      ?             ?      
1 1 1 4  56 13 o 1.892000       1.634000      ?             ?      
1 1 1 4  56 14 o -2.378000      1.630000      ?             ?      
1 1 1 4  56 15 o 1.421000       1.677000      ?             ?      
1 1 1 4  56 16 o 3.725000       2.100000      ?             ?      
1 1 1 4  56 17 o -0.4219000     2.479000      ?             ?      
1 1 1 4  56 18 o -0.9162000     2.214000      ?             ?      
1 1 1 4  56 19 o -0.2935000E-01 2.335000      ?             ?      
1 1 1 4  56 20 o 1.369000       2.073000      ?             ?      
1 1 1 4  56 21 o -1.013000      2.294000      ?             ?      
1 1 1 4  56 22 o -2.696000      2.319000      ?             ?      
1 1 1 4  56 23 o 4.666000       3.487000      ?             ?      
1 1 1 4  56 24 o 2.504000       3.911000      ?             ?      
1 1 1 4  56 25 o 0.9592000      1.791000      ?             ?      
1 1 1 4  56 26 o 0.8783000      1.795000      ?             ?      
1 1 1 4  56 27 o 2.313000       1.810000      ?             ?      
1 1 1 4  56 28 o 2.093000       1.830000      ?             ?      
1 1 1 4  56 29 o 7.226000       1.900000      ?             ?      
1 1 1 4  56 30 o 3.715000       1.841000      ?             ?      
1 1 1 4  56 31 o -2.767000      1.812000      ?             ?      
1 1 1 4  56 32 o 2.272000       1.863000      ?             ?      
1 1 1 4  56 33 o -0.3081000E-01 1.857000      ?             ?      
1 1 1 4  56 34 o 0.3815000      1.887000      ?             ?      
1 1 1 4  56 35 o 0.7202000E-01  2.310000      ?             ?      
1 1 1 4  56 36 o -0.5455000     2.283000      ?             ?      
1 1 1 4  56 37 o 4.480000       2.660000      ?             ?      
1 1 1 4  56 39 o -3.158000      2.748000      ?             ?      
1 1 1 4  56 40 o 1.096000       3.991000      ?             ?      
1 1 1 4  56 41 o 1.692000       2.442000      ?             ?      
1 1 1 4  56 42 o -0.8885000     2.445000      ?             ?      
1 1 1 4  57 0  o -1.275000      1.217000      ?             ?      
1 1 1 4  57 1  o -0.5484000E-01 0.8659000     ?             ?      
1 1 1 4  57 2  o 1.464000       0.8625000     ?             ?      
1 1 1 4  57 3  o -1.119000      0.8492000     ?             ?      
1 1 1 4  57 4  o 0.3101000      0.9536000     ?             ?      
1 1 1 4  57 5  o 0.5787000      0.9089000     ?             ?      
1 1 1 4  57 6  o 4.013000       1.019000      ?             ?      
1 1 1 4  57 7  o 2.024000       1.048000      ?             ?      
1 1 1 4  57 8  o 0.7241000      0.8177000     ?             ?      
1 1 1 4  57 9  o 1.709000       0.6407000     ?             ?      
1 1 1 4  57 10 o 1.822000       0.6022000     ?             ?      
1 1 1 4  57 11 o 2.062000       1.310000      ?             ?      
1 1 1 4  57 12 o -0.1402000     1.201000      ?             ?      
1 1 1 4  57 13 o 1.806000       1.602000      ?             ?      
1 1 1 4  57 14 o -0.3564000     1.582000      ?             ?      
1 1 1 4  57 15 o 0.6468000      1.578000      ?             ?      
1 1 1 4  57 16 o 5.338000       2.182000      ?             ?      
1 1 1 4  57 17 o 0.5315000E-01  1.601000      ?             ?      
1 1 1 4  57 18 o 2.232000       1.662000      ?             ?      
1 1 1 4  57 19 o -1.591000      1.706000      ?             ?      
1 1 1 4  57 20 o -0.4211000     2.136000      ?             ?      
1 1 1 4  57 21 o -2.107000      2.572000      ?             ?      
1 1 1 4  57 22 o 1.081000       2.432000      ?             ?      
1 1 1 4  57 24 o -3.277000      2.453000      ?             ?      
1 1 1 4  57 25 o -0.1070000     2.393000      ?             ?      
1 1 1 4  57 26 o 2.144000       2.412000      ?             ?      
1 1 1 4  57 27 o -0.3474000     2.096000      ?             ?      
1 1 1 4  57 28 o -0.7955000E-01 2.115000      ?             ?      
1 1 1 4  57 29 o -0.8871000     1.847000      ?             ?      
1 1 1 4  57 30 o -1.101000      1.852000      ?             ?      
1 1 1 4  57 31 o 3.515000       1.879000      ?             ?      
1 1 1 4  57 32 o 5.079000       2.246000      ?             ?      
1 1 1 4  57 33 o 0.9989000E-01  2.222000      ?             ?      
1 1 1 4  57 34 o 1.476000       2.281000      ?             ?      
1 1 1 4  57 35 o 4.112000       2.330000      ?             ?      
1 1 1 4  57 36 o 1.153000       3.801000      ?             ?      
1 1 1 4  57 37 o 4.233000       3.932000      ?             ?      
1 1 1 4  57 38 o 1.666000       4.283000      ?             ?      
1 1 1 4  57 39 o -0.4186000E-01 2.458000      ?             ?      
1 1 1 4  57 40 o 1.625000       2.362000      ?             ?      
1 1 1 4  58 0  o 1.401000       1.231000      ?             ?      
1 1 1 4  58 1  o 0.8199000      0.8514000     ?             ?      
1 1 1 4  58 2  o -0.2189000     0.8499000     ?             ?      
1 1 1 4  58 3  o -0.6632000     0.8391000     ?             ?      
1 1 1 4  58 4  o 0.2505000      0.9401000     ?             ?      
1 1 1 4  58 5  o -1.643000      0.9910000     ?             ?      
1 1 1 4  58 6  o -0.4432000E-01 0.9999000     ?             ?      
1 1 1 4  58 7  o -0.5570000     1.008000      ?             ?      
1 1 1 4  58 8  o 0.2536000      0.8195000     ?             ?      
1 1 1 4  58 9  o -0.5783000     0.5960000     ?             ?      
1 1 1 4  58 10 o 0.3047000      0.5709000     ?             ?      
1 1 1 4  58 11 o -0.7035000     1.256000      ?             ?      
1 1 1 4  58 12 o 1.109000       1.199000      ?             ?      
1 1 1 4  58 13 o -0.7450000     1.184000      ?             ?      
1 1 1 4  58 14 o 0.3150000E-01  1.549000      ?             ?      
1 1 1 4  58 15 o -3.160000      1.548000      ?             ?      
1 1 1 4  58 16 o -3.488000      1.582000      ?             ?      
1 1 1 4  58 17 o -1.324000      1.611000      ?             ?      
1 1 1 4  58 18 o 2.217000       1.677000      ?             ?      
1 1 1 4  58 19 o -1.240000      1.687000      ?             ?      
1 1 1 4  58 20 o 0.9540000      1.736000      ?             ?      
1 1 1 4  58 21 o 7.189000       2.172000      ?             ?      
1 1 1 4  58 22 o -0.9233000     3.395000      ?             ?      
1 1 1 4  58 23 o -0.6766000     3.908000      ?             ?      
1 1 1 4  58 24 o 3.463000       2.370000      ?             ?      
1 1 1 4  58 25 o 2.279000       2.769000      ?             ?      
1 1 1 4  58 26 o 6.561000       2.480000      ?             ?      
1 1 1 4  58 27 o -2.294000      2.525000      ?             ?      
1 1 1 4  58 28 o 1.491000       2.259000      ?             ?      
1 1 1 4  58 29 o -2.146000      2.243000      ?             ?      
1 1 1 4  58 30 o 1.936000       2.517000      ?             ?      
1 1 1 4  58 31 o 1.616000       2.517000      ?             ?      
1 1 1 4  58 32 o 1.492000       2.569000      ?             ?      
1 1 1 4  58 33 o -0.5233000     2.295000      ?             ?      
1 1 1 4  58 34 o 2.260000       2.335000      ?             ?      
1 1 1 4  58 35 o -4.845000      3.769000      ?             ?      
1 1 1 4  58 36 o 0.8837000      2.611000      ?             ?      
1 1 1 4  58 38 o 0.4165000      2.754000      ?             ?      
1 1 1 4  59 0  o -0.3246000     1.185000      ?             ?      
1 1 1 4  59 1  o 1.967000       0.8638000     ?             ?      
1 1 1 4  59 2  f 2.138000       0.8698000     ?             ?      
1 1 1 4  59 3  o -0.6221000E-01 0.8366000     ?             ?      
1 1 1 4  59 4  o 0.7995000      0.9313000     ?             ?      
1 1 1 4  59 5  o 1.714000       1.015000      ?             ?      
1 1 1 4  59 6  o 1.533000       0.9216000     ?             ?      
1 1 1 4  59 7  o 3.780000       1.681000      ?             ?      
1 1 1 4  59 8  o 0.6499000      0.7765000     ?             ?      
1 1 1 4  59 9  o 1.030000       0.5519000     ?             ?      
1 1 1 4  59 10 o 0.5259000      0.5465000     ?             ?      
1 1 1 4  59 11 o 0.7238000      1.236000      ?             ?      
1 1 1 4  59 12 o 0.4883000      1.162000      ?             ?      
1 1 1 4  59 13 o 2.192000       1.529000      ?             ?      
1 1 1 4  59 14 o 0.8350000      1.569000      ?             ?      
1 1 1 4  59 15 o 7.216000       1.665000      ?             ?      
1 1 1 4  59 16 o -2.555000      1.595000      ?             ?      
1 1 1 4  59 17 o -1.613000      1.622000      ?             ?      
1 1 1 4  59 18 o 2.744000       1.659000      ?             ?      
1 1 1 4  59 19 o 1.816000       1.708000      ?             ?      
1 1 1 4  59 20 o 1.053000       1.737000      ?             ?      
1 1 1 4  59 21 o -2.699000      2.077000      ?             ?      
1 1 1 4  59 23 o 2.387000       2.330000      ?             ?      
1 1 1 4  59 24 o 0.4474000      1.784000      ?             ?      
1 1 1 4  59 25 o 2.642000       1.846000      ?             ?      
1 1 1 4  59 26 o 4.293000       2.276000      ?             ?      
1 1 1 4  59 27 o 4.061000       2.272000      ?             ?      
1 1 1 4  59 28 o 2.442000       2.683000      ?             ?      
1 1 1 4  59 29 o -2.482000      3.869000      ?             ?      
1 1 1 4  59 30 o -1.698000      2.620000      ?             ?      
1 1 1 4  59 31 o 2.327000       2.632000      ?             ?      
1 1 1 4  59 32 o 0.6128000E-01  2.622000      ?             ?      
1 1 1 4  59 33 o 0.4047000E-01  2.337000      ?             ?      
1 1 1 4  59 34 o 0.5162000      2.627000      ?             ?      
1 1 1 4  59 35 o -2.523000      2.600000      ?             ?      
1 1 1 4  59 36 o -2.556000      3.805000      ?             ?      
1 1 1 4  60 0  o 0.6299000      1.166000      ?             ?      
1 1 1 4  60 1  o 0.8164000      0.8348000     ?             ?      
1 1 1 4  60 2  o -0.4315000     0.8313000     ?             ?      
1 1 1 4  60 3  f 0.8132000      0.8254000     ?             ?      
1 1 1 4  60 4  o 1.027000       0.9219000     ?             ?      
1 1 1 4  60 5  o 0.9869000      1.044000      ?             ?      
1 1 1 4  60 6  o 1.271000       0.7949000     ?             ?      
1 1 1 4  60 7  o 0.7630000      1.006000      ?             ?      
1 1 1 4  60 8  o -1.163000      0.7412000     ?             ?      
1 1 1 4  60 9  o -0.1146000     0.5334000     ?             ?      
1 1 1 4  60 10 o 0.7997000      0.4399000     ?             ?      
1 1 1 4  60 11 o -0.2943000     1.255000      ?             ?      
1 1 1 4  60 12 o 1.729000       1.502000      ?             ?      
1 1 1 4  60 13 o -1.029000      1.501000      ?             ?      
1 1 1 4  60 14 o 0.9123000      1.531000      ?             ?      
1 1 1 4  60 15 o -0.4008000     1.570000      ?             ?      
1 1 1 4  60 16 o 1.302000       1.612000      ?             ?      
1 1 1 4  60 17 o 3.004000       1.667000      ?             ?      
1 1 1 4  60 18 o 0.3923000      1.678000      ?             ?      
1 1 1 4  60 19 o 1.175000       1.674000      ?             ?      
1 1 1 4  60 20 o -1.395000      2.021000      ?             ?      
1 1 1 4  60 21 o 4.668000       3.530000      ?             ?      
1 1 1 4  60 23 o 1.187000       2.421000      ?             ?      
1 1 1 4  60 24 o 2.170000       2.139000      ?             ?      
1 1 1 4  60 25 o 5.623000       2.236000      ?             ?      
1 1 1 4  60 26 o 0.4480000      3.617000      ?             ?      
1 1 1 4  60 27 o 3.196000       2.245000      ?             ?      
1 1 1 4  60 28 o 1.989000       2.268000      ?             ?      
1 1 1 4  60 29 o 0.3661000      2.266000      ?             ?      
1 1 1 4  60 30 o 1.119000       2.288000      ?             ?      
1 1 1 4  60 31 o -2.244000      2.302000      ?             ?      
1 1 1 4  60 32 o 0.1210000      2.789000      ?             ?      
1 1 1 4  60 33 o 0.3627000E-01  3.885000      ?             ?      
1 1 1 4  60 34 < 0.000000       -1.000000     ?             ?      
1 1 1 4  61 0  o 0.3932000      1.161000      ?             ?      
1 1 1 4  61 1  o 0.9503000      0.8155000     ?             ?      
1 1 1 4  61 2  o 1.506000       0.8201000     ?             ?      
1 1 1 4  61 3  o 1.181000       0.8058000     ?             ?      
1 1 1 4  61 4  o -0.4010000     0.9040000     ?             ?      
1 1 1 4  61 5  o 0.5599000      1.035000      ?             ?      
1 1 1 4  61 6  o 0.6067000      0.7792000     ?             ?      
1 1 1 4  61 7  o 0.2996000      1.023000      ?             ?      
1 1 1 4  61 8  o 1.195000       0.7431000     ?             ?      
1 1 1 4  61 9  o 0.6307000      0.5305000     ?             ?      
1 1 1 4  61 10 o 0.7451000      0.4366000     ?             ?      
1 1 1 4  61 11 o 3.367000       1.281000      ?             ?      
1 1 1 4  61 12 o 0.2231000      1.539000      ?             ?      
1 1 1 4  61 13 o -0.3013000     1.517000      ?             ?      
1 1 1 4  61 14 o 1.381000       1.527000      ?             ?      
1 1 1 4  61 15 o -0.7705000     1.542000      ?             ?      
1 1 1 4  61 16 o -2.196000      1.586000      ?             ?      
1 1 1 4  61 17 o 1.537000       1.963000      ?             ?      
1 1 1 4  61 18 o 4.655000       2.031000      ?             ?      
1 1 1 4  61 19 o 2.269000       2.053000      ?             ?      
1 1 1 4  61 20 o 0.1609000      2.088000      ?             ?      
1 1 1 4  61 21 o -0.4723000     3.560000      ?             ?      
1 1 1 4  61 22 o 0.7480000      2.450000      ?             ?      
1 1 1 4  61 23 o 5.344000       2.181000      ?             ?      
1 1 1 4  61 24 o -0.3481000     2.150000      ?             ?      
1 1 1 4  61 25 o -0.4036000     2.149000      ?             ?      
1 1 1 4  61 26 o 0.5556000      2.209000      ?             ?      
1 1 1 4  61 27 o 3.618000       2.303000      ?             ?      
1 1 1 4  61 28 o 3.234000       2.296000      ?             ?      
1 1 1 4  61 29 o 5.000000       2.361000      ?             ?      
1 1 1 4  61 30 o 3.782000       2.288000      ?             ?      
1 1 1 4  61 31 o 0.4434000      2.317000      ?             ?      
1 1 1 4  61 32 o 4.081000       2.411000      ?             ?      
1 1 1 4  62 0  o -0.6068000     1.166000      ?             ?      
1 1 1 4  62 1  o 1.420000       0.8266000     ?             ?      
1 1 1 4  62 2  o 0.1785000      0.8223000     ?             ?      
1 1 1 4  62 3  o -0.2631000     0.8048000     ?             ?      
1 1 1 4  62 4  f 1.096000       0.8685000     ?             ?      
1 1 1 4  62 5  o 0.1514000      1.017000      ?             ?      
1 1 1 4  62 6  o 0.7461000      0.8111000     ?             ?      
1 1 1 4  62 7  o 0.6667000E-01  0.9511000     ?             ?      
1 1 1 4  62 8  o 0.7021000      0.7487000     ?             ?      
1 1 1 4  62 9  o 1.942000       0.5549000     ?             ?      
1 1 1 4  62 10 o -1.891000      1.493000      ?             ?      
1 1 1 4  62 11 o 1.039000       1.560000      ?             ?      
1 1 1 4  62 12 o 0.7739000      1.794000      ?             ?      
1 1 1 4  62 13 o 4.887000       1.832000      ?             ?      
1 1 1 4  62 14 o 3.202000       1.863000      ?             ?      
1 1 1 4  62 15 o 0.1324000      1.820000      ?             ?      
1 1 1 4  62 16 o 2.935000       1.873000      ?             ?      
1 1 1 4  62 17 o -0.1373000     1.873000      ?             ?      
1 1 1 4  62 18 o 1.623000       1.938000      ?             ?      
1 1 1 4  62 19 o 1.463000       2.018000      ?             ?      
1 1 1 4  62 20 o 4.509000       3.413000      ?             ?      
1 1 1 4  62 22 o 0.2122000      2.351000      ?             ?      
1 1 1 4  62 23 o 2.114000       2.170000      ?             ?      
1 1 1 4  62 24 o 1.586000       2.216000      ?             ?      
1 1 1 4  62 25 o 4.945000       2.293000      ?             ?      
1 1 1 4  62 26 o 5.224000       2.265000      ?             ?      
1 1 1 4  62 27 o 1.953000       2.275000      ?             ?      
1 1 1 4  62 28 o -1.850000      2.237000      ?             ?      
1 1 1 4  62 29 o 2.313000       2.295000      ?             ?      
1 1 1 4  63 0  o 0.5512000E-01  1.182000      ?             ?      
1 1 1 4  63 1  o 1.671000       0.8494000     ?             ?      
1 1 1 4  63 2  o 1.588000       0.8303000     ?             ?      
1 1 1 4  63 3  o -0.7158000     0.8175000     ?             ?      
1 1 1 4  63 4  o 1.840000       0.8905000     ?             ?      
1 1 1 4  63 5  o 1.163000       1.156000      ?             ?      
1 1 1 4  63 6  o -0.7783000     0.8062000     ?             ?      
1 1 1 4  63 7  o 0.1981000      1.359000      ?             ?      
1 1 1 4  63 8  o 0.8216000      0.7498000     ?             ?      
1 1 1 4  63 9  o 0.8640000      0.6353000     ?             ?      
1 1 1 4  63 10 o 2.135000       1.609000      ?             ?      
1 1 1 4  63 11 o 0.3683000      1.564000      ?             ?      
1 1 1 4  63 12 o -1.386000      1.477000      ?             ?      
1 1 1 4  63 13 o -0.6398000     1.835000      ?             ?      
1 1 1 4  63 14 o 1.378000       1.876000      ?             ?      
1 1 1 4  63 15 o 0.1513000      1.881000      ?             ?      
1 1 1 4  63 16 o -2.640000      1.886000      ?             ?      
1 1 1 4  63 17 o 0.5178000      1.890000      ?             ?      
1 1 1 4  63 18 o 5.235000       1.971000      ?             ?      
1 1 1 4  63 19 o 2.738000       1.986000      ?             ?      
1 1 1 4  63 20 o 0.6858000      3.285000      ?             ?      
1 1 1 4  63 21 < 0.000000       -1.000000     ?             ?      
1 1 1 4  63 22 o -0.2288000     2.128000      ?             ?      
1 1 1 4  63 23 o -1.955000      2.134000      ?             ?      
1 1 1 4  63 24 o 1.938000       2.181000      ?             ?      
1 1 1 4  63 25 o -1.766000      3.639000      ?             ?      
1 1 1 4  63 26 o 4.318000       2.298000      ?             ?      
1 1 1 4  64 0  o -0.5732000     1.185000      ?             ?      
1 1 1 4  64 1  o 0.1759000      0.8476000     ?             ?      
1 1 1 4  64 2  o -0.3669000     0.8385000     ?             ?      
1 1 1 4  64 3  o 0.7332000      0.8369000     ?             ?      
1 1 1 4  64 4  o 0.9055000      0.9596000     ?             ?      
1 1 1 4  64 5  o -0.7947000E-01 1.052000      ?             ?      
1 1 1 4  64 6  o 0.6948000      0.8069000     ?             ?      
1 1 1 4  64 7  o 0.8873000      1.221000      ?             ?      
1 1 1 4  64 8  o -0.5339000     0.6221000     ?             ?      
1 1 1 4  64 9  o 0.2884000      0.6064000     ?             ?      
1 1 1 4  64 10 o 1.068000       1.558000      ?             ?      
1 1 1 4  64 11 o 5.702000       1.874000      ?             ?      
1 1 1 4  64 12 o -1.594000      1.549000      ?             ?      
1 1 1 4  64 13 o -1.322000      1.839000      ?             ?      
1 1 1 4  64 14 o 1.580000       1.860000      ?             ?      
1 1 1 4  64 15 o 1.108000       1.899000      ?             ?      
1 1 1 4  64 16 o -0.2932000     3.081000      ?             ?      
1 1 1 4  64 17 o 2.874000       3.134000      ?             ?      
1 1 1 4  64 18 o -1.434000      1.943000      ?             ?      
1 1 1 4  64 19 o -5.218000      3.209000      ?             ?      
1 1 1 4  64 21 o 2.442000       2.370000      ?             ?      
1 1 1 4  64 22 o -1.049000      2.044000      ?             ?      
1 1 1 4  64 23 o 0.7668000      2.157000      ?             ?      
1 1 1 4  65 0  o -0.9213000     1.191000      ?             ?      
1 1 1 4  65 1  o 0.5236000      0.8599000     ?             ?      
1 1 1 4  65 2  o 3.468000       0.8750000     ?             ?      
1 1 1 4  65 3  o 1.974000       0.9293000     ?             ?      
1 1 1 4  65 4  o -0.1347000     0.8592000     ?             ?      
1 1 1 4  65 5  o 0.4299000      1.095000      ?             ?      
1 1 1 4  65 6  o 1.807000       0.7893000     ?             ?      
1 1 1 4  65 7  o -1.501000      1.179000      ?             ?      
1 1 1 4  65 8  o 0.8445000      0.5906000     ?             ?      
1 1 1 4  65 9  o 1.990000       0.6036000     ?             ?      
1 1 1 4  65 10 o 0.7499000E-01  1.571000      ?             ?      
1 1 1 4  65 11 o 2.618000       1.827000      ?             ?      
1 1 1 4  65 12 o 0.5283000      1.840000      ?             ?      
1 1 1 4  65 13 o 1.279000       1.840000      ?             ?      
1 1 1 4  65 14 o 0.5559000      1.883000      ?             ?      
1 1 1 4  65 15 o -1.863000      1.909000      ?             ?      
1 1 1 4  65 16 o -1.531000      1.941000      ?             ?      
1 1 1 4  65 17 o 0.4527000E-01  1.989000      ?             ?      
1 1 1 4  65 18 o 0.7371000      1.972000      ?             ?      
1 1 1 4  65 19 o -0.4427000     3.240000      ?             ?      
1 1 1 4  66 0  o 1.286000       1.219000      ?             ?      
1 1 1 4  66 1  o 1.144000       0.8559000     ?             ?      
1 1 1 4  66 2  o -0.2614000     0.8527000     ?             ?      
1 1 1 4  66 3  o 3.300000       0.9169000     ?             ?      
1 1 1 4  66 4  o 0.8379000      0.8624000     ?             ?      
1 1 1 4  66 5  o -1.925000      1.212000      ?             ?      
1 1 1 4  66 6  o -0.6771000     0.7674000     ?             ?      
1 1 1 4  66 7  o 0.5570000E-02  1.811000      ?             ?      
1 1 1 4  66 8  o 0.2094000      0.5837000     ?             ?      
1 1 1 4  66 9  o -0.3372000     0.4655000     ?             ?      
1 1 1 4  66 10 o 1.737000       1.582000      ?             ?      
1 1 1 4  66 11 o 1.514000       1.816000      ?             ?      
1 1 1 4  66 12 o -0.5596000E-01 1.826000      ?             ?      
1 1 1 4  66 13 o 1.133000       1.865000      ?             ?      
1 1 1 4  66 14 o -1.508000      3.064000      ?             ?      
1 1 1 4  67 0  o 2.053000       1.217000      ?             ?      
1 1 1 4  67 1  o 0.8690000      0.8606000     ?             ?      
1 1 1 4  67 2  o -0.9689000     1.159000      ?             ?      
1 1 1 4  67 3  o -0.1398000     0.9072000     ?             ?      
1 1 1 4  67 4  o 3.198000       0.9451000     ?             ?      
1 1 1 4  67 5  o 0.8029000      1.431000      ?             ?      
1 1 1 4  67 6  o 0.4794000      1.539000      ?             ?      
1 1 1 5  0  1  o 0.6620000      0.1372000     171.7585      90.0   
1 1 1 5  0  2  o 0.1092000      0.1332000     88.83932      0.0    
1 1 1 5  0  3  o 0.2961000      0.1588000     104.5583      90.0   
1 1 1 5  0  4  o 0.5208000      0.1842000     130.1426      0.0    
1 1 1 5  0  5  o 0.2950000E-01  0.2088000     52.00109      90.0   
1 1 1 5  0  6  o 0.1378000      0.2541000     132.0640      0.0    
1 1 1 5  0  7  o 1.142000       0.2997000     106.0161      90.0   
1 1 1 5  0  8  o 5.755000       0.5645000     310.3102      180.0  
1 1 1 5  0  9  o 4.541000       0.5705000     1.137285      90.0   
1 1 1 5  0  10 o 3.895000       0.4419000     108.3336      180.0  
1 1 1 5  0  11 o 0.9156000      0.4568000     27.85380      -90.0  
1 1 1 5  0  12 o 1.984000       0.5013000     185.2282      180.0  
1 1 1 5  0  13 o 5.539000       0.6619000     164.1372      90.0   
1 1 1 5  0  14 o 2.282000       0.5808000     108.0315      180.0  
1 1 1 5  0  15 o 3.191000       0.7036000     128.6325      -90.0  
1 1 1 5  0  16 o 4.115000       1.320000      262.5777      -0.0   
1 1 1 5  0  17 o -1.616000      1.339000      103.2603      90.0   
1 1 1 5  0  18 o 7.395000       1.061000      298.7295      180.0  
1 1 1 5  0  19 o 13.21000       0.9874000     6.755496      -90.0  
1 1 1 5  0  20 o 6.962000       0.9191000     149.1650      180.0  
1 1 1 5  0  21 o 4.781000       0.7974000     142.9127      90.0   
1 1 1 5  0  22 o 4.925000       0.8224000     322.0284      0.0    
1 1 1 5  0  23 o 11.82000       1.099000      256.8237      90.0   
1 1 1 5  0  24 o 10.15000       0.9573000     92.38574      -180.0 
1 1 1 5  0  25 o 9.787000       1.169000      311.7075      -90.0  
1 1 1 5  0  26 o 1.571000       0.9759000     112.2703      0.0    
1 1 1 5  0  27 o 30.32000       1.709000      284.1592      -90.0  
1 1 1 5  0  28 o 1.009000       1.087000      53.24319      0.0    
1 1 1 5  0  29 o 2.320000       1.163000      9.238931      -90.0  
1 1 1 5  0  30 o -0.8728000     1.226000      13.83435      -180.0 
1 1 1 5  0  31 o 125.0000       4.563000      832.4701      90.0   
1 1 1 5  0  32 o 9.968000       1.486000      267.8063      180.0  
1 1 1 5  0  33 o 16.50000       1.663000      422.1530      -90.0  
1 1 1 5  0  34 o 19.11000       2.468000      369.4368      180.0  
1 1 1 5  0  35 o 6.223000       3.949000      74.47597      90.0   
1 1 1 5  0  36 o 4.349000       1.909000      243.9302      180.0  
1 1 1 5  0  37 o 2.161000       1.633000      14.66725      90.0   
1 1 1 5  0  38 o 2.526000       1.617000      5.707858      180.0  
1 1 1 5  0  39 o 10.38000       1.617000      160.5259      -90.0  
1 1 1 5  0  40 o 9.596000       1.575000      302.5516      -0.0   
1 1 1 5  0  41 o 3.546000       1.512000      274.2228      90.0   
1 1 1 5  0  42 o 10.98000       1.560000      81.72699      -180.0 
1 1 1 5  0  43 o 1.986000       1.457000      85.64896      -90.0  
1 1 1 5  0  44 o -0.7232000     1.612000      92.61645      -0.0   
1 1 1 5  0  45 o 1.742000       1.645000      76.91724      90.0   
1 1 1 5  0  46 o -0.1608000     1.740000      6.504257      -0.0   
1 1 1 5  0  47 o -0.9827000     2.258000      36.53776      90.0   
1 1 1 5  0  48 o 0.6904000      1.555000      33.85985      0.0    
1 1 1 5  0  49 o 11.09000       1.828000      452.5496      -90.0  
1 1 1 5  0  50 o 4.482000       1.756000      185.5335      180.0  
1 1 1 5  0  51 o 14.10000       3.885000      411.9341      90.0   
1 1 1 5  0  52 o -0.5913000E-01 2.308000      108.9176      0.0    
1 1 1 5  0  53 o 21.55000       1.991000      434.2893      -90.0  
1 1 1 5  0  54 o 6.969000       1.836000      203.1415      -180.0 
1 1 1 5  0  55 o 6.134000       1.832000      137.3040      90.0   
1 1 1 5  0  56 o 0.6326000      1.826000      32.72784      180.0  
1 1 1 5  0  57 o 1.179000       1.875000      42.68734      -90.0  
1 1 1 5  0  58 f 4.653000       1.992000      73.25041      0.0    
1 1 1 5  0  59 o 4.958000       2.024000      41.58405      90.0   
1 1 1 5  0  60 o 2.034000       1.998000      134.6369      -0.0   
1 1 1 5  0  61 o 13.93000       2.165000      306.5273      -90.0  
1 1 1 5  0  62 o 1.253000       1.987000      ?             ?      
1 1 1 5  0  63 o 5.523000       2.011000      ?             ?      
1 1 1 5  0  64 o -0.2159000     1.916000      ?             ?      
1 1 1 5  0  65 o -1.109000      2.227000      ?             ?      
1 1 1 5  0  66 o 3.144000       4.192000      ?             ?      
1 1 1 5  0  67 o 1.029000       2.817000      ?             ?      
1 1 1 5  0  68 o 1.407000       1.963000      ?             ?      
1 1 1 5  0  69 o 5.037000       2.031000      ?             ?      
1 1 1 5  0  70 o 1.239000       1.976000      ?             ?      
1 1 1 5  0  71 o 1.711000       1.955000      ?             ?      
1 1 1 5  0  72 o -2.411000      1.931000      ?             ?      
1 1 1 5  0  73 o 2.228000       1.974000      ?             ?      
1 1 1 5  0  74 o -1.286000      1.982000      ?             ?      
1 1 1 5  0  75 o 3.967000       2.049000      ?             ?      
1 1 1 5  0  76 o 0.3230000      2.025000      ?             ?      
1 1 1 5  0  77 o -1.621000      2.367000      ?             ?      
1 1 1 5  1  0  o 0.2470000      0.1356000     182.6940      -90.0  
1 1 1 5  1  1  o 8.175000       0.2111000     359.2452      -80.8  
1 1 1 5  1  2  o 2.453000       0.1154000     250.1795      47.8   
1 1 1 5  1  3  o 2.277000       0.1245000     297.3809      139.8  
1 1 1 5  1  4  o 1.714000       0.1372000     327.1051      -112.4 
1 1 1 5  1  5  o 2.106000       0.1610000     247.2258      150.3  
1 1 1 5  1  6  o 1.602000       0.1848000     206.2451      -24.8  
1 1 1 5  1  7  o 2.966000       0.2244000     386.7970      -19.4  
1 1 1 5  1  8  o 1.512000       0.2396000     307.4462      -46.5  
1 1 1 5  1  9  o 9.233000       0.3867000     421.8954      90.3   
1 1 1 5  1  10 o 6.642000       0.3672000     461.1537      135.1  
1 1 1 5  1  11 o 3.060000       0.3349000     257.1619      -29.7  
1 1 1 5  1  12 o 2.513000       0.3594000     95.78550      -159.2 
1 1 1 5  1  13 o 0.6988000      0.3760000     123.4024      -91.8  
1 1 1 5  1  14 o 25.61000       0.8972000     512.5494      -34.6  
1 1 1 5  1  15 o 3.658000       0.4967000     296.5400      93.2   
1 1 1 5  1  16 o 5.546000       0.9273000     346.6383      -80.7  
1 1 1 5  1  17 o 3.549000       0.9723000     106.3181      -166.2 
1 1 1 5  1  18 o 2.608000       0.5628000     154.5912      152.6  
1 1 1 5  1  19 o 3.306000       0.5031000     76.87730      43.5   
1 1 1 5  1  20 o 9.379000       0.5778000     438.4371      19.0   
1 1 1 5  1  21 o 5.264000       0.7102000     311.8790      142.8  
1 1 1 5  1  22 o 0.6903000      0.5623000     55.25119      -8.3   
1 1 1 5  1  23 o 2.256000       0.5944000     346.4616      -62.8  
1 1 1 5  1  24 o 17.30000       0.8202000     515.2749      130.0  
1 1 1 5  1  25 o 37.28000       1.396000      679.4686      -132.5 
1 1 1 5  1  26 f 3.646000       0.7027000     411.5132      -36.8  
1 1 1 5  1  27 o 109.1000       3.057000      1104.908      91.0   
1 1 1 5  1  28 o 6.030000       0.7958000     580.9377      -77.4  
1 1 1 5  1  29 o 2.536000       0.8298000     170.3777      86.9   
1 1 1 5  1  30 o 13.64000       0.9484000     560.5594      100.9  
1 1 1 5  1  31 o 7.854000       0.9776000     157.5977      -40.4  
1 1 1 5  1  32 o 45.74000       1.773000      463.8713      2.8    
1 1 1 5  1  33 o 9.235000       1.179000      158.1521      -49.6  
1 1 1 5  1  34 o 10.41000       1.929000      523.2410      55.5   
1 1 1 5  1  35 o 0.6118000      2.179000      225.5727      -115.1 
1 1 1 5  1  36 o 3.456000       1.359000      205.7417      -108.3 
1 1 1 5  1  37 o 8.783000       1.194000      315.6743      99.7   
1 1 1 5  1  38 o 11.16000       1.172000      444.1769      -78.2  
1 1 1 5  1  39 o 8.934000       1.138000      176.4084      -57.1  
1 1 1 5  1  40 o 8.899000       1.115000      323.4091      55.3   
1 1 1 5  1  41 o 13.16000       1.139000      369.2007      -38.7  
1 1 1 5  1  42 o 16.52000       1.225000      473.5641      44.8   
1 1 1 5  1  43 o 7.023000       1.067000      357.4240      114.2  
1 1 1 5  1  44 o 2.900000       1.307000      129.4592      77.9   
1 1 1 5  1  45 o 11.38000       1.221000      438.1536      85.4   
1 1 1 5  1  46 o 4.906000       1.149000      322.4926      118.2  
1 1 1 5  1  47 o 9.187000       1.255000      403.7397      132.4  
1 1 1 5  1  48 o 8.244000       1.212000      364.1817      58.3   
1 1 1 5  1  49 o 1.922000       1.338000      155.4011      -122.7 
1 1 1 5  1  50 o 9.812000       1.304000      453.7425      -80.4  
1 1 1 5  1  51 o 4.648000       2.355000      326.2851      1.8    
1 1 1 5  1  52 o 10.12000       2.047000      456.1289      -19.0  
1 1 1 5  1  53 o 4.066000       1.334000      192.0562      100.7  
1 1 1 5  1  54 o 5.450000       1.275000      244.7187      -93.5  
1 1 1 5  1  55 o 1.906000       1.280000      279.1991      -169.2 
1 1 1 5  1  56 o 5.741000       1.308000      260.7411      -117.7 
1 1 1 5  1  57 o 13.08000       1.422000      509.3206      34.3   
1 1 1 5  1  58 o 7.891000       1.424000      305.2895      -41.1  
1 1 1 5  1  59 o 14.28000       1.503000      480.1502      85.9   
1 1 1 5  1  60 o 0.1463000      1.397000      137.5490      176.9  
1 1 1 5  1  61 o 2.652000       1.448000      220.2742      164.3  
1 1 1 5  1  62 o 5.133000       1.433000      ?             ?      
1 1 1 5  1  63 o 2.017000       1.519000      ?             ?      
1 1 1 5  1  64 o 0.2556000      1.359000      ?             ?      
1 1 1 5  1  65 o -0.6010000     1.576000      ?             ?      
1 1 1 5  1  66 o -1.664000      2.467000      ?             ?      
1 1 1 5  1  67 o 2.750000       2.342000      ?             ?      
1 1 1 5  1  68 o 4.211000       1.524000      ?             ?      
1 1 1 5  1  69 o 0.2583000E-01  1.389000      ?             ?      
1 1 1 5  1  70 o 0.8815000      1.394000      ?             ?      
1 1 1 5  1  71 o 3.685000       1.408000      ?             ?      
1 1 1 5  1  72 o -1.650000      1.369000      ?             ?      
1 1 1 5  1  73 o 4.346000       1.396000      ?             ?      
1 1 1 5  1  74 o 3.298000       1.418000      ?             ?      
1 1 1 5  1  75 o 2.024000       1.443000      ?             ?      
1 1 1 5  1  76 o 1.925000       1.463000      ?             ?      
1 1 1 5  1  77 o 1.562000       1.684000      ?             ?      
1 1 1 5  2  0  o 7.555000       0.2613000     165.1392      -90.0  
1 1 1 5  2  1  o 12.91000       0.3415000     660.1915      -105.6 
1 1 1 5  2  2  o 16.16000       0.3380000     521.4222      -96.6  
1 1 1 5  2  3  o 9.159000       0.2423000     322.0648      -41.4  
1 1 1 5  2  4  o 13.25000       0.3624000     819.0805      -60.8  
1 1 1 5  2  5  o 11.70000       0.3482000     656.8296      -70.4  
1 1 1 5  2  6  o 3.136000       0.2381000     459.0312      -176.8 
1 1 1 5  2  7  o 14.86000       0.4232000     507.8560      166.6  
1 1 1 5  2  8  o 54.08000       1.214000      1590.779      178.8  
1 1 1 5  2  9  o 3.576000       0.2837000     52.03157      24.9   
1 1 1 5  2  10 o 7.770000       0.3529000     533.5341      -5.2   
1 1 1 5  2  11 o 37.37000       0.9322000     1123.033      -103.1 
1 1 1 5  2  12 o 26.13000       0.8478000     828.7161      -112.9 
1 1 1 5  2  13 o 18.99000       0.6177000     625.4355      117.8  
1 1 1 5  2  14 o 9.618000       0.4774000     601.6201      -130.3 
1 1 1 5  2  15 o 7.363000       0.5876000     349.5163      -88.3  
1 1 1 5  2  16 o 2.214000       0.6848000     340.6004      13.6   
1 1 1 5  2  17 o 19.74000       0.8930000     705.2209      163.3  
1 1 1 5  2  18 o 5.536000       0.6682000     182.2188      131.3  
1 1 1 5  2  19 o 6.287000       0.5746000     342.3330      84.6   
1 1 1 5  2  20 o 13.64000       0.6283000     518.9922      -121.9 
1 1 1 5  2  21 o 9.285000       0.6116000     521.2241      -7.2   
1 1 1 5  2  22 o 34.94000       0.9849000     684.9172      -69.3  
1 1 1 5  2  23 o 40.96000       1.337000      597.3505      176.2  
1 1 1 5  2  24 o 20.08000       0.8677000     435.3518      44.7   
1 1 1 5  2  25 o 15.71000       0.8347000     595.3234      -158.7 
1 1 1 5  2  26 o 47.64000       1.559000      987.2200      138.6  
1 1 1 5  2  27 o 7.630000       0.7744000     236.1642      -45.6  
1 1 1 5  2  28 o 3.249000       0.7771000     248.3810      -132.0 
1 1 1 5  2  29 o 10.70000       0.8805000     176.2109      -101.6 
1 1 1 5  2  30 o 11.42000       0.9374000     394.1595      -136.4 
1 1 1 5  2  31 o 10.42000       0.9848000     644.9171      51.8   
1 1 1 5  2  32 o 19.08000       1.237000      572.1743      43.7   
1 1 1 5  2  33 o 25.06000       1.432000      805.1416      52.0   
1 1 1 5  2  34 o 12.19000       1.651000      375.7626      -71.0  
1 1 1 5  2  35 o 5.745000       1.541000      292.8700      91.5   
1 1 1 5  2  36 o 3.287000       1.587000      337.9152      -41.3  
1 1 1 5  2  37 o 54.71000       1.868000      1082.419      38.1   
1 1 1 5  2  38 o 20.36000       1.246000      494.4933      4.6    
1 1 1 5  2  39 o 19.24000       1.313000      536.7538      -159.3 
1 1 1 5  2  40 o 35.68000       1.499000      756.8582      47.8   
1 1 1 5  2  41 o 3.740000       1.157000      112.8650      -21.4  
1 1 1 5  2  42 o 10.99000       1.380000      460.2674      -14.6  
1 1 1 5  2  43 o 12.05000       1.202000      423.6468      -114.1 
1 1 1 5  2  44 o 8.107000       1.128000      372.2612      115.7  
1 1 1 5  2  45 o 29.86000       1.430000      732.9189      -153.8 
1 1 1 5  2  46 o 14.18000       1.138000      519.1993      -88.6  
1 1 1 5  2  47 o 12.01000       1.121000      551.9405      102.1  
1 1 1 5  2  48 o 11.40000       1.121000      428.1011      -149.3 
1 1 1 5  2  49 o 2.362000       1.143000      189.4950      -24.9  
1 1 1 5  2  50 o 13.98000       1.586000      491.1514      117.8  
1 1 1 5  2  51 o 8.656000       1.985000      366.8483      178.9  
1 1 1 5  2  52 o 10.55000       1.913000      361.2148      -38.1  
1 1 1 5  2  53 o 3.404000       1.582000      206.4791      -146.4 
1 1 1 5  2  54 o 0.6411000      1.330000      146.1317      10.5   
1 1 1 5  2  55 o 7.148000       1.311000      286.7316      138.6  
1 1 1 5  2  56 o 4.444000       1.310000      253.8701      136.5  
1 1 1 5  2  57 o 9.249000       1.410000      301.2424      -178.2 
1 1 1 5  2  58 o 6.143000       1.407000      246.6700      -99.5  
1 1 1 5  2  59 o 7.531000       1.450000      351.2561      4.1    
1 1 1 5  2  60 o 3.851000       1.424000      160.3723      -43.7  
1 1 1 5  2  61 o 12.26000       1.492000      520.0594      -64.8  
1 1 1 5  2  62 o -0.2442000     1.399000      ?             ?      
1 1 1 5  2  63 f 0.8873000      1.404000      ?             ?      
1 1 1 5  2  64 o 1.909000       1.493000      ?             ?      
1 1 1 5  2  65 o 0.8059000      1.819000      ?             ?      
1 1 1 5  2  66 o 2.720000       1.853000      ?             ?      
1 1 1 5  2  67 o 1.101000       1.865000      ?             ?      
1 1 1 5  2  68 o -0.8645000     1.611000      ?             ?      
1 1 1 5  2  69 o -0.5590000     1.398000      ?             ?      
1 1 1 5  2  70 o -1.153000      1.394000      ?             ?      
1 1 1 5  2  71 o -1.567000      1.391000      ?             ?      
1 1 1 5  2  72 o -0.6925000E-01 1.397000      ?             ?      
1 1 1 5  2  73 o 1.759000       1.412000      ?             ?      
1 1 1 5  2  74 o 1.651000       1.445000      ?             ?      
1 1 1 5  2  75 o 4.121000       1.455000      ?             ?      
1 1 1 5  2  76 o 0.7385000      1.455000      ?             ?      
1 1 1 5  2  77 o 0.5873000      1.910000      ?             ?      
1 1 1 5  3  0  o 6.030000       0.2322000     377.9948      -90.0  
1 1 1 5  3  1  o 2.300000       0.1167000     325.3631      55.3   
1 1 1 5  3  2  o 7.386000       0.2244000     451.5440      34.1   
1 1 1 5  3  3  o 21.55000       0.4408000     735.6481      -31.5  
1 1 1 5  3  4  o 7.393000       0.2086000     610.3665      -31.9  
1 1 1 5  3  5  o 59.03000       1.194000      1698.666      -178.7 
1 1 1 5  3  6  o 20.95000       0.4782000     645.3983      -44.7  
1 1 1 5  3  7  o 12.81000       0.3889000     1113.200      -107.0 
1 1 1 5  3  8  o 36.68000       0.9243000     1067.145      78.2   
1 1 1 5  3  9  o 35.84000       0.9607000     1194.873      46.1   
1 1 1 5  3  10 o 9.525000       0.3750000     543.7308      63.1   
1 1 1 5  3  11 o 175.3000       3.499000      2239.767      14.6   
1 1 1 5  3  12 o 27.10000       0.6900000     551.4088      -114.0 
1 1 1 5  3  13 o 45.38000       1.030000      1520.525      -117.8 
1 1 1 5  3  14 o 14.29000       0.6832000     668.9213      -17.1  
1 1 1 5  3  15 o 26.78000       1.435000      709.2233      -79.9  
1 1 1 5  3  16 o 10.91000       0.5982000     614.5121      -110.4 
1 1 1 5  3  17 o 11.79000       0.6453000     264.7100      27.0   
1 1 1 5  3  18 o 38.01000       1.379000      1196.896      90.6   
1 1 1 5  3  19 o 16.68000       0.7608000     668.0353      74.1   
1 1 1 5  3  20 o 3.546000       0.5361000     520.7168      52.9   
1 1 1 5  3  21 o 45.74000       1.397000      1085.156      -162.6 
1 1 1 5  3  22 o 70.80000       1.941000      889.1074      23.1   
1 1 1 5  3  23 o 25.79000       0.8628000     763.2924      -147.3 
1 1 1 5  3  24 o 28.74000       1.129000      796.1306      -163.1 
1 1 1 5  3  25 o 21.32000       0.9239000     524.3890      131.1  
1 1 1 5  3  26 o 95.01000       2.283000      1129.551      59.6   
1 1 1 5  3  27 o 82.51000       2.058000      1355.137      63.5   
1 1 1 5  3  28 o 20.24000       0.9316000     800.0364      -86.4  
1 1 1 5  3  29 o 21.53000       0.9946000     295.1531      32.8   
1 1 1 5  3  30 o 29.17000       1.135000      756.7048      -77.5  
1 1 1 5  3  31 o 41.36000       1.467000      1045.314      149.8  
1 1 1 5  3  32 o 28.22000       1.316000      709.2142      105.7  
1 1 1 5  3  33 o 59.81000       2.405000      1170.765      52.5   
1 1 1 5  3  34 o 33.78000       1.811000      772.5065      63.0   
1 1 1 5  3  35 o 8.800000       1.276000      255.0852      -26.5  
1 1 1 5  3  36 o 98.22000       3.440000      1769.993      -178.9 
1 1 1 5  3  37 o 18.30000       1.454000      423.0073      85.1   
1 1 1 5  3  38 o 52.76000       1.791000      1190.012      -40.3  
1 1 1 5  3  39 o 7.284000       1.236000      421.4404      124.6  
1 1 1 5  3  40 o 47.13000       1.716000      964.2070      58.0   
1 1 1 5  3  41 o 2.747000       1.140000      366.9568      75.2   
1 1 1 5  3  42 o 16.28000       1.219000      732.7672      49.4   
1 1 1 5  3  43 o 24.06000       1.200000      615.8626      140.9  
1 1 1 5  3  44 o 4.294000       1.020000      301.3869      -65.4  
1 1 1 5  3  45 o 9.147000       1.069000      440.8206      144.8  
1 1 1 5  3  46 o 39.00000       1.442000      909.3491      -61.0  
1 1 1 5  3  47 f 12.16000       1.118000      442.4916      171.3  
1 1 1 5  3  48 o 9.465000       1.092000      223.1489      45.1   
1 1 1 5  3  49 o 2.197000       1.203000      184.4630      -161.7 
1 1 1 5  3  50 f 3.898000       1.480000      107.0586      -95.1  
1 1 1 5  3  51 o 18.63000       1.432000      564.8608      27.7   
1 1 1 5  3  52 o -1.045000      1.557000      55.75027      160.8  
1 1 1 5  3  53 o 3.834000       1.806000      205.7664      -147.6 
1 1 1 5  3  54 o 1.595000       1.932000      152.8366      -110.6 
1 1 1 5  3  55 o 13.34000       1.477000      472.7943      91.7   
1 1 1 5  3  56 o 2.078000       1.396000      235.0271      -72.0  
1 1 1 5  3  57 o 49.88000       1.884000      987.3126      66.4   
1 1 1 5  3  58 o 3.864000       1.394000      212.1824      -104.0 
1 1 1 5  3  59 o 9.951000       1.461000      361.8381      167.6  
1 1 1 5  3  60 o 3.395000       1.412000      144.3377      -66.4  
1 1 1 5  3  61 o 4.955000       1.436000      301.9695      100.0  
1 1 1 5  3  62 o 11.34000       1.479000      ?             ?      
1 1 1 5  3  63 o 5.022000       1.418000      ?             ?      
1 1 1 5  3  64 o 8.460000       1.877000      ?             ?      
1 1 1 5  3  65 o 4.273000       1.848000      ?             ?      
1 1 1 5  3  66 o 4.929000       1.641000      ?             ?      
1 1 1 5  3  67 o 1.156000       1.645000      ?             ?      
1 1 1 5  3  68 o -1.049000      1.620000      ?             ?      
1 1 1 5  3  69 o 7.394000       1.464000      ?             ?      
1 1 1 5  3  70 o 1.698000       1.409000      ?             ?      
1 1 1 5  3  71 o 4.014000       1.424000      ?             ?      
1 1 1 5  3  72 o 2.463000       1.412000      ?             ?      
1 1 1 5  3  73 o 1.852000       1.426000      ?             ?      
1 1 1 5  3  74 o 0.4404000      1.436000      ?             ?      
1 1 1 5  3  75 o 2.685000       1.468000      ?             ?      
1 1 1 5  3  76 o 2.309000       1.503000      ?             ?      
1 1 1 5  4  0  o 45.57000       1.069000      687.8871      90.0   
1 1 1 5  4  1  o 83.07000       1.413000      1171.252      -77.6  
1 1 1 5  4  2  o 1.161000       0.1305000     ?             ?      
1 1 1 5  4  3  o 69.86000       1.325000      1309.659      69.4   
1 1 1 5  4  4  o 0.3549000      0.1276000     ?             ?      
1 1 1 5  4  5  o 9.917000       0.2740000     1106.216      -122.6 
1 1 1 5  4  6  o 17.02000       0.4105000     628.0753      109.7  
1 1 1 5  4  7  o 98.76000       2.135000      1812.930      114.3  
1 1 1 5  4  8  o 47.73000       1.168000      1206.866      75.2   
1 1 1 5  4  9  o 38.56000       0.8468000     1333.793      32.2   
1 1 1 5  4  10 o 333.6000       6.575000      2586.723      165.0  
1 1 1 5  4  11 o 200.3000       3.983000      2198.495      -101.7 
1 1 1 5  4  12 o 5.798000       0.3834000     506.6230      176.1  
1 1 1 5  4  13 o 6.296000       0.4125000     261.8468      -127.3 
1 1 1 5  4  14 o 28.89000       0.8638000     828.0668      -41.9  
1 1 1 5  4  15 o 35.00000       1.016000      578.1409      173.4  
1 1 1 5  4  16 o 12.40000       0.5842000     511.4714      137.4  
1 1 1 5  4  17 f 24.43000       0.7906000     695.6263      -154.2 
1 1 1 5  4  18 o 1.966000       0.6686000     227.3328      19.4   
1 1 1 5  4  19 o 35.64000       1.230000      1004.548      128.2  
1 1 1 5  4  20 o 20.82000       0.7977000     575.3408      -85.5  
1 1 1 5  4  21 o 18.63000       0.7242000     511.5990      123.5  
1 1 1 5  4  22 o 37.47000       1.029000      744.7617      29.2   
1 1 1 5  4  23 o 81.10000       2.182000      1413.196      81.2   
1 1 1 5  4  24 o 54.79000       1.348000      1167.267      -158.0 
1 1 1 5  4  25 o 44.47000       1.199000      872.0712      136.8  
1 1 1 5  4  26 o 48.47000       1.410000      533.1172      66.9   
1 1 1 5  4  27 o 21.41000       1.001000      552.8489      -24.9  
1 1 1 5  4  28 o 46.22000       1.628000      937.6290      -7.8   
1 1 1 5  4  29 o 14.68000       0.9383000     577.0356      -86.0  
1 1 1 5  4  30 o 82.89000       2.428000      1315.810      94.0   
1 1 1 5  4  31 o 99.24000       2.316000      1378.705      64.7   
1 1 1 5  4  32 o 14.75000       1.257000      804.6709      96.4   
1 1 1 5  4  33 o 150.1000       4.636000      1382.781      96.9   
1 1 1 5  4  34 o 133.7000       3.877000      1560.749      -7.4   
1 1 1 5  4  35 o 18.88000       1.380000      998.6176      -92.6  
1 1 1 5  4  36 o 25.39000       1.802000      653.8446      70.0   
1 1 1 5  4  37 o 77.67000       2.703000      1428.370      20.9   
1 1 1 5  4  38 o 22.57000       1.702000      765.7561      -163.0 
1 1 1 5  4  39 o 19.00000       1.300000      538.2512      113.7  
1 1 1 5  4  40 o 56.70000       1.819000      1140.767      17.0   
1 1 1 5  4  41 o 26.74000       1.269000      972.4894      103.6  
1 1 1 5  4  42 o 0.2383000      1.022000      7.982550      -131.0 
1 1 1 5  4  43 o 18.41000       1.137000      659.7817      -153.7 
1 1 1 5  4  44 o 1.272000       1.004000      121.3066      64.5   
1 1 1 5  4  45 o 19.23000       1.160000      621.8795      -155.6 
1 1 1 5  4  46 o 4.248000       1.054000      315.4365      144.7  
1 1 1 5  4  47 o 21.31000       1.200000      596.8812      120.2  
1 1 1 5  4  48 o 9.139000       1.101000      450.6768      -89.8  
1 1 1 5  4  49 o 6.206000       1.245000      468.9305      79.0   
1 1 1 5  4  50 o 8.940000       1.282000      504.4588      140.8  
1 1 1 5  4  51 o 24.26000       1.337000      711.2734      -30.9  
1 1 1 5  4  52 o 9.608000       1.338000      467.8458      74.3   
1 1 1 5  4  53 o 0.7553000E-01  1.693000      88.31538      -176.4 
1 1 1 5  4  54 o 4.345000       1.586000      261.5685      67.2   
1 1 1 5  4  55 o 7.664000       1.431000      416.0243      139.3  
1 1 1 5  4  56 o 72.57000       2.674000      ?             ?      
1 1 1 5  4  57 o 12.20000       1.550000      554.9077      -98.4  
1 1 1 5  4  58 o 0.1190000      1.473000      56.52639      13.5   
1 1 1 5  4  59 o 11.64000       1.557000      593.6823      69.3   
1 1 1 5  4  60 o 6.158000       1.444000      328.4071      -135.8 
1 1 1 5  4  61 o 5.800000       1.446000      304.3029      -25.1  
1 1 1 5  4  62 o 7.527000       1.462000      ?             ?      
1 1 1 5  4  63 o 1.327000       1.436000      ?             ?      
1 1 1 5  4  64 o 22.07000       1.849000      ?             ?      
1 1 1 5  4  65 o 0.2702000      1.603000      ?             ?      
1 1 1 5  4  66 o 4.684000       1.425000      ?             ?      
1 1 1 5  4  67 o -0.4405000     1.606000      ?             ?      
1 1 1 5  4  68 o 2.049000       1.898000      ?             ?      
1 1 1 5  4  69 o 2.556000       1.631000      ?             ?      
1 1 1 5  4  70 o 4.224000       1.431000      ?             ?      
1 1 1 5  4  71 o 5.268000       1.446000      ?             ?      
1 1 1 5  4  72 o 5.056000       1.449000      ?             ?      
1 1 1 5  4  73 o 1.898000       1.427000      ?             ?      
1 1 1 5  4  74 o -0.5673000     1.431000      ?             ?      
1 1 1 5  4  75 o 2.708000       1.490000      ?             ?      
1 1 1 5  4  76 o 4.157000       1.502000      ?             ?      
1 1 1 5  5  0  o 419.7000       10.44000      2263.666      90.0   
1 1 1 5  5  1  o 26.27000       0.5239000     617.2465      121.9  
1 1 1 5  5  2  o 9.379000       0.3376000     870.0521      65.8   
1 1 1 5  5  3  o 3.143000       0.1633000     294.7228      -74.2  
1 1 1 5  5  4  o 101.6000       1.807000      1532.637      110.8  
1 1 1 5  5  5  o 355.5000       6.613000      2498.062      -122.6 
1 1 1 5  5  6  o 92.37000       1.846000      1438.857      138.9  
1 1 1 5  5  7  o 32.82000       0.7135000     854.2150      147.2  
1 1 1 5  5  8  o 93.16000       1.880000      1346.996      162.0  
1 1 1 5  5  9  o 43.32000       0.9354000     802.2708      -132.8 
1 1 1 5  5  10 o 197.3000       3.917000      1799.849      6.1    
1 1 1 5  5  11 o 144.2000       2.890000      1489.488      -94.2  
1 1 1 5  5  12 o 60.03000       1.285000      1313.534      130.4  
1 1 1 5  5  13 o 39.78000       1.054000      1000.795      -92.0  
1 1 1 5  5  14 o 65.18000       1.955000      997.2718      -31.2  
1 1 1 5  5  15 o 34.51000       1.111000      780.3116      -78.8  
1 1 1 5  5  16 o 6.013000       0.4719000     180.4021      -47.0  
1 1 1 5  5  17 o 43.05000       1.041000      1101.006      20.2   
1 1 1 5  5  18 o 23.57000       0.8668000     635.5851      106.9  
1 1 1 5  5  19 o 15.40000       0.8857000     610.7928      -76.1  
1 1 1 5  5  20 o 84.22000       1.990000      1435.140      -155.5 
1 1 1 5  5  21 o 30.82000       0.9046000     959.2647      -144.5 
1 1 1 5  5  22 o 7.979000       0.6736000     177.7124      35.9   
1 1 1 5  5  23 o 27.84000       0.8938000     728.7217      -67.2  
1 1 1 5  5  24 o 16.37000       0.7649000     504.1310      -129.3 
1 1 1 5  5  25 o 221.9000       4.510000      2420.291      122.8  
1 1 1 5  5  26 o 132.1000       2.811000      1501.865      -140.0 
1 1 1 5  5  27 o 10.83000       0.8150000     509.1018      56.3   
1 1 1 5  5  28 o 200.0000       4.129000      2167.804      -148.9 
1 1 1 5  5  29 o 81.53000       1.949000      1096.289      121.1  
1 1 1 5  5  30 o 111.5000       2.718000      1443.693      -165.4 
1 1 1 5  5  31 o 51.25000       1.624000      1122.510      133.0  
1 1 1 5  5  32 o 9.166000       1.413000      515.7222      -22.1  
1 1 1 5  5  33 o 102.3000       3.177000      1663.338      122.4  
1 1 1 5  5  34 o 29.68000       1.494000      862.1611      -57.5  
1 1 1 5  5  35 o 26.94000       1.515000      619.4476      65.0   
1 1 1 5  5  36 o 123.1000       3.090000      1382.088      171.6  
1 1 1 5  5  37 o 230.0000       6.236000      2223.780      43.2   
1 1 1 5  5  38 o 64.06000       2.108000      1204.889      -41.9  
1 1 1 5  5  39 o 55.21000       1.665000      1121.023      -163.8 
1 1 1 5  5  40 o 13.04000       1.120000      700.4174      141.2  
1 1 1 5  5  41 o 28.27000       1.362000      876.5576      21.2   
1 1 1 5  5  42 o 46.28000       1.509000      968.7615      -68.4  
1 1 1 5  5  43 o 2.214000       1.017000      264.6922      -156.1 
1 1 1 5  5  44 o 51.06000       1.572000      1021.311      -122.3 
1 1 1 5  5  45 o 34.15000       1.338000      722.3942      66.5   
1 1 1 5  5  46 o 20.71000       1.293000      807.4551      -65.6  
1 1 1 5  5  47 o 27.17000       1.274000      679.6603      160.5  
1 1 1 5  5  48 o 28.83000       1.489000      987.6160      -175.4 
1 1 1 5  5  49 o 33.97000       1.887000      849.9897      -172.4 
1 1 1 5  5  50 o 4.982000       1.257000      311.3647      90.6   
1 1 1 5  5  51 o 21.54000       1.300000      590.1686      -32.6  
1 1 1 5  5  52 o 2.780000       1.174000      329.9736      120.0  
1 1 1 5  5  53 o 7.724000       1.491000      472.3293      159.6  
1 1 1 5  5  54 o 5.251000       1.689000      280.0052      148.8  
1 1 1 5  5  55 o 23.65000       1.552000      643.9088      -126.8 
1 1 1 5  5  56 o 7.263000       1.429000      434.9761      -140.6 
1 1 1 5  5  57 o 9.018000       1.491000      399.3766      145.0  
1 1 1 5  5  58 o -0.5822000     1.699000      91.21041      -19.4  
1 1 1 5  5  59 o 3.355000       1.732000      190.6752      159.9  
1 1 1 5  5  60 o 13.27000       1.615000      526.4744      -120.4 
1 1 1 5  5  61 o 1.768000       1.533000      161.2283      -21.3  
1 1 1 5  5  62 o 21.29000       1.598000      ?             ?      
1 1 1 5  5  63 o 14.14000       1.735000      ?             ?      
1 1 1 5  5  64 o 19.23000       2.167000      ?             ?      
1 1 1 5  5  65 o 3.636000       1.628000      ?             ?      
1 1 1 5  5  66 o 3.898000       1.414000      ?             ?      
1 1 1 5  5  67 o 3.686000       1.430000      ?             ?      
1 1 1 5  5  68 o 3.261000       1.677000      ?             ?      
1 1 1 5  5  69 o 2.456000       1.637000      ?             ?      
1 1 1 5  5  70 o 1.933000       1.421000      ?             ?      
1 1 1 5  5  71 o 2.946000       1.429000      ?             ?      
1 1 1 5  5  72 o -1.292000      1.411000      ?             ?      
1 1 1 5  5  73 o 2.135000       1.434000      ?             ?      
1 1 1 5  5  74 o 5.629000       1.486000      ?             ?      
1 1 1 5  5  75 o 1.114000       1.466000      ?             ?      
1 1 1 5  5  76 o 1.855000       1.619000      ?             ?      
1 1 1 5  6  0  o 1.198000       0.1752000     604.7221      90.0   
1 1 1 5  6  1  o 10.10000       0.2541000     177.0866      80.2   
1 1 1 5  6  2  o 18.69000       0.5441000     688.4351      148.1  
1 1 1 5  6  3  o 213.4000       3.835000      2627.277      139.7  
1 1 1 5  6  4  o 33.01000       0.7462000     683.6837      -53.9  
1 1 1 5  6  5  o 8.641000       0.3038000     771.0513      66.0   
1 1 1 5  6  6  o 86.19000       1.728000      836.4429      -161.8 
1 1 1 5  6  7  o 35.51000       0.7658000     277.5428      60.8   
1 1 1 5  6  8  o 256.9000       5.066000      2512.807      27.0   
1 1 1 5  6  9  o 284.2000       5.612000      2046.544      -171.0 
1 1 1 5  6  10 o 62.45000       1.309000      1123.948      92.6   
1 1 1 5  6  11 o 259.8000       5.141000      1891.664      135.1  
1 1 1 5  6  12 o 29.11000       0.7760000     923.6717      167.0  
1 1 1 5  6  13 o 26.14000       0.7845000     540.3154      -177.7 
1 1 1 5  6  14 o 11.42000       0.5688000     1052.834      -139.7 
1 1 1 5  6  15 o 18.04000       0.6669000     688.3038      -159.6 
1 1 1 5  6  16 o 137.6000       2.800000      1206.839      -9.8   
1 1 1 5  6  17 o 47.42000       1.115000      928.3954      -86.7  
1 1 1 5  6  18 o 87.65000       2.024000      1383.530      55.9   
1 1 1 5  6  19 o 76.45000       2.180000      1162.114      164.7  
1 1 1 5  6  20 o 19.72000       0.9864000     416.0519      84.7   
1 1 1 5  6  21 o 181.2000       3.986000      1878.623      119.0  
1 1 1 5  6  22 o 191.0000       3.880000      1882.829      91.2   
1 1 1 5  6  23 o 87.19000       1.919000      1255.072      -16.1  
1 1 1 5  6  24 o 69.01000       1.608000      1583.196      -85.2  
1 1 1 5  6  25 o 181.5000       3.732000      2162.199      19.8   
1 1 1 5  6  26 o 9.911000       0.7806000     793.0761      152.0  
1 1 1 5  6  27 o 96.56000       2.162000      1722.443      -111.3 
1 1 1 5  6  28 o 529.6000       10.51000      3228.615      -44.4  
1 1 1 5  6  29 o 261.7000       5.749000      1946.150      -90.0  
1 1 1 5  6  30 o 39.86000       1.421000      656.1490      87.2   
1 1 1 5  6  31 o 63.65000       2.211000      1039.546      -109.9 
1 1 1 5  6  32 o 462.4000       18.47000      2973.400      46.2   
1 1 1 5  6  33 o 564.6000       14.52000      3269.568      22.2   
1 1 1 5  6  34 o 95.50000       2.541000      1420.275      71.1   
1 1 1 5  6  35 o 46.32000       1.704000      898.5375      -21.8  
1 1 1 5  6  36 o 210.5000       4.440000      1692.807      136.2  
1 1 1 5  6  37 o 155.8000       3.969000      2011.971      51.0   
1 1 1 5  6  38 o 89.46000       2.905000      1557.362      -102.6 
1 1 1 5  6  39 o 16.69000       1.256000      459.2262      76.7   
1 1 1 5  6  40 o 81.11000       2.061000      1462.937      75.2   
1 1 1 5  6  41 o 68.42000       1.849000      1243.258      75.4   
1 1 1 5  6  42 o 1.175000       1.018000      167.2807      73.0   
1 1 1 5  6  43 o 71.59000       1.899000      1220.188      -61.1  
1 1 1 5  6  44 o 5.630000       1.027000      455.7814      155.5  
1 1 1 5  6  45 o 30.02000       1.288000      826.1260      -111.6 
1 1 1 5  6  46 o 12.66000       1.108000      351.8526      -122.6 
1 1 1 5  6  47 o 102.9000       2.495000      1572.319      -29.1  
1 1 1 5  6  48 o 3.228000       1.218000      117.3803      6.8    
1 1 1 5  6  49 o 3.032000       1.229000      213.8205      -130.8 
1 1 1 5  6  50 o 1.490000       1.116000      288.0887      -11.1  
1 1 1 5  6  51 o 41.22000       1.552000      1027.846      28.9   
1 1 1 5  6  52 o 1.820000       1.164000      190.0198      176.8  
1 1 1 5  6  53 o 27.17000       1.565000      712.4098      -42.0  
1 1 1 5  6  54 o 13.52000       1.820000      484.3077      -26.9  
1 1 1 5  6  55 o 23.00000       1.658000      647.6000      -175.6 
1 1 1 5  6  56 o 19.63000       1.448000      604.0862      121.2  
1 1 1 5  6  57 o 31.86000       1.634000      878.2061      -17.4  
1 1 1 5  6  58 o 30.90000       1.773000      865.2595      -177.9 
1 1 1 5  6  59 o 9.477000       1.570000      427.6116      -104.6 
1 1 1 5  6  60 o 16.35000       1.676000      683.9634      -94.5  
1 1 1 5  6  61 o 20.73000       1.939000      689.3404      -28.7  
1 1 1 5  6  62 o 14.19000       1.622000      ?             ?      
1 1 1 5  6  63 o 7.233000       1.652000      ?             ?      
1 1 1 5  6  64 o 9.223000       1.705000      ?             ?      
1 1 1 5  6  65 o 3.663000       1.427000      ?             ?      
1 1 1 5  6  66 o 2.862000       1.418000      ?             ?      
1 1 1 5  6  67 o 1.903000       1.417000      ?             ?      
1 1 1 5  6  68 o 7.882000       1.881000      ?             ?      
1 1 1 5  6  69 o 2.869000       1.875000      ?             ?      
1 1 1 5  6  70 o 2.194000       1.515000      ?             ?      
1 1 1 5  6  71 o 9.246000       1.482000      ?             ?      
1 1 1 5  6  72 o 1.292000       1.419000      ?             ?      
1 1 1 5  6  73 o 4.479000       1.457000      ?             ?      
1 1 1 5  6  74 o 1.900000       1.453000      ?             ?      
1 1 1 5  6  75 o 2.365000       1.472000      ?             ?      
1 1 1 5  6  76 o 1.574000       1.693000      ?             ?      
1 1 1 5  7  0  o 13.03000       0.4376000     39.94217      90.0   
1 1 1 5  7  1  o 133.9000       2.514000      1903.976      -87.3  
1 1 1 5  7  2  o 225.9000       3.981000      2579.922      107.0  
1 1 1 5  7  3  o 22.39000       0.4756000     1296.476      -68.6  
1 1 1 5  7  4  o 410.8000       7.656000      2928.105      -146.6 
1 1 1 5  7  5  o 66.01000       1.195000      500.9032      -25.4  
1 1 1 5  7  6  o 74.77000       1.512000      1292.169      153.9  
1 1 1 5  7  7  o 449.3000       8.831000      3016.395      -153.6 
1 1 1 5  7  8  o 109.5000       2.194000      1741.378      146.7  
1 1 1 5  7  9  o 318.7000       6.279000      2365.595      -174.0 
1 1 1 5  7  10 o 179.0000       3.562000      2192.063      -148.3 
1 1 1 5  7  11 o 55.48000       1.189000      714.8610      166.1  
1 1 1 5  7  12 o 42.63000       1.096000      615.0808      -53.9  
1 1 1 5  7  13 o 29.58000       1.003000      981.2568      -82.2  
1 1 1 5  7  14 o 80.87000       1.954000      1062.254      38.0   
1 1 1 5  7  15 o 30.01000       0.7832000     806.3987      77.4   
1 1 1 5  7  16 o 11.46000       0.5265000     546.4417      4.8    
1 1 1 5  7  17 o 32.55000       0.8599000     808.3031      47.2   
1 1 1 5  7  18 o 86.90000       1.855000      1708.712      -133.2 
1 1 1 5  7  19 o 11.74000       0.7273000     694.8946      157.0  
1 1 1 5  7  20 o 63.44000       1.905000      1311.135      -145.2 
1 1 1 5  7  21 o 28.87000       0.9567000     187.1689      -69.3  
1 1 1 5  7  22 o 105.8000       2.259000      1408.282      -65.3  
1 1 1 5  7  23 o 185.1000       3.782000      1582.699      105.3  
1 1 1 5  7  24 o 36.13000       1.052000      562.4092      -169.0 
1 1 1 5  7  25 o 13.39000       0.7893000     568.4683      -116.9 
1 1 1 5  7  26 o 393.7000       7.844000      2995.572      -73.3  
1 1 1 5  7  27 o 18.23000       1.001000      411.6801      -2.2   
1 1 1 5  7  28 o 15.56000       1.144000      496.0562      -158.4 
1 1 1 5  7  29 o 23.31000       1.170000      701.9341      137.1  
1 1 1 5  7  30 o 147.6000       3.472000      1888.985      13.4   
1 1 1 5  7  31 o 49.97000       1.790000      898.0567      102.1  
1 1 1 5  7  32 o 66.99000       2.366000      1242.587      -137.5 
1 1 1 5  7  33 o 529.9000       10.57000      3045.647      105.8  
1 1 1 5  7  34 o 92.40000       2.283000      1309.530      30.9   
1 1 1 5  7  35 o 279.6000       5.742000      2432.544      -124.9 
1 1 1 5  7  36 o 280.3000       5.752000      2633.062      105.1  
1 1 1 5  7  37 o 198.2000       4.555000      2352.826      35.1   
1 1 1 5  7  38 o 30.47000       1.786000      899.9293      -140.3 
1 1 1 5  7  39 o 22.12000       1.406000      810.2485      84.1   
1 1 1 5  7  40 o 7.169000       1.069000      369.8964      143.6  
1 1 1 5  7  41 o 75.95000       1.970000      1390.952      -100.7 
1 1 1 5  7  42 o 12.91000       1.092000      364.8176      131.3  
1 1 1 5  7  43 o 11.21000       1.068000      356.1067      146.9  
1 1 1 5  7  44 o 60.40000       1.722000      1175.318      -38.9  
1 1 1 5  7  45 o 15.64000       1.131000      568.2354      5.5    
1 1 1 5  7  46 o 57.15000       1.694000      1041.601      -28.1  
1 1 1 5  7  47 o 22.29000       1.381000      694.7059      161.0  
1 1 1 5  7  48 o 50.89000       2.200000      1109.486      108.4  
1 1 1 5  7  49 o 27.41000       1.515000      735.4698      123.0  
1 1 1 5  7  50 o 28.21000       1.357000      792.4561      53.9   
1 1 1 5  7  51 o 4.442000       1.157000      236.0000      21.7   
1 1 1 5  7  52 o 12.88000       1.253000      675.8772      39.2   
1 1 1 5  7  53 o 37.91000       1.582000      780.7520      139.5  
1 1 1 5  7  54 o 2.598000       1.511000      165.8577      -175.5 
1 1 1 5  7  56 o 2.112000       1.324000      215.6831      -16.5  
1 1 1 5  7  57 o 4.848000       1.389000      292.8473      8.8    
1 1 1 5  7  58 o 8.189000       1.447000      439.0992      42.6   
1 1 1 5  7  59 o 59.75000       2.081000      ?             ?      
1 1 1 5  7  60 o 8.372000       1.475000      349.0451      -157.2 
1 1 1 5  7  61 o 27.86000       1.757000      656.3466      112.8  
1 1 1 5  7  62 o 2.309000       1.799000      ?             ?      
1 1 1 5  7  63 o 14.60000       2.028000      ?             ?      
1 1 1 5  7  64 o 2.285000       1.804000      ?             ?      
1 1 1 5  7  65 o 1.873000       1.519000      ?             ?      
1 1 1 5  7  67 o 7.822000       1.461000      ?             ?      
1 1 1 5  7  68 o 1.136000       1.530000      ?             ?      
1 1 1 5  7  69 o 4.131000       1.872000      ?             ?      
1 1 1 5  7  70 o 0.5029000      1.630000      ?             ?      
1 1 1 5  7  72 o 7.072000       1.464000      ?             ?      
1 1 1 5  7  74 o 1.201000       1.462000      ?             ?      
1 1 1 5  8  0  o 126.0000       3.520000      952.0613      -90.0  
1 1 1 5  8  1  o 19.99000       0.4247000     486.7008      99.5   
1 1 1 5  8  2  o 405.4000       7.129000      2952.998      -138.4 
1 1 1 5  8  3  o 216.5000       3.814000      2345.062      -85.6  
1 1 1 5  8  4  o 14.59000       0.3839000     617.7297      -24.6  
1 1 1 5  8  5  o 44.70000       0.9338000     1019.900      -95.2  
1 1 1 5  8  6  o 264.6000       4.937000      2077.851      -36.0  
1 1 1 5  8  7  o 126.7000       2.395000      1427.697      -38.9  
1 1 1 5  8  8  o 349.1000       6.874000      2477.029      -81.2  
1 1 1 5  8  9  o 58.63000       1.228000      1243.940      -105.0 
1 1 1 5  8  10 o 266.1000       5.261000      2078.534      114.5  
1 1 1 5  8  11 o 234.8000       4.661000      2173.058      104.2  
1 1 1 5  8  12 o 9.465000       0.4637000     330.0216      -123.2 
1 1 1 5  8  13 o 178.0000       4.577000      1757.662      -153.7 
1 1 1 5  8  14 o 21.10000       0.6659000     622.1174      -175.4 
1 1 1 5  8  15 o 55.06000       1.228000      779.1309      45.2   
1 1 1 5  8  16 o 54.79000       1.235000      1289.809      -67.4  
1 1 1 5  8  17 o 22.08000       0.6982000     412.4790      11.9   
1 1 1 5  8  18 o 17.67000       0.6588000     990.9003      117.8  
1 1 1 5  8  19 o 82.67000       1.942000      902.6440      -77.0  
1 1 1 5  8  20 o 12.18000       0.8674000     314.3551      86.2   
1 1 1 5  8  21 o 9.455000       0.8779000     281.4269      -82.8  
1 1 1 5  8  22 o 180.3000       3.963000      1497.659      -163.4 
1 1 1 5  8  23 o 189.1000       3.855000      2005.943      27.9   
1 1 1 5  8  24 o 241.6000       5.269000      1884.471      4.2    
1 1 1 5  8  25 o 103.8000       2.452000      1258.569      73.0   
1 1 1 5  8  26 o 25.12000       1.061000      846.9127      -39.2  
1 1 1 5  8  27 o 25.99000       1.330000      385.6719      -65.3  
1 1 1 5  8  29 o 320.9000       7.002000      2689.385      -107.1 
1 1 1 5  8  30 o 242.1000       6.454000      2006.199      101.6  
1 1 1 5  8  31 o 105.4000       3.379000      1638.452      125.3  
1 1 1 5  8  32 o 608.4000       13.94000      3657.994      -13.6  
1 1 1 5  8  33 o 24.65000       1.350000      1097.264      -73.4  
1 1 1 5  8  34 o 22.63000       1.261000      653.5237      14.6   
1 1 1 5  8  35 o 370.8000       7.491000      2765.322      -149.3 
1 1 1 5  8  36 o 546.2000       10.89000      ?             ?      
1 1 1 5  8  37 o 70.66000       1.907000      1143.630      -26.9  
1 1 1 5  8  38 o 50.17000       1.881000      955.5687      -148.0 
1 1 1 5  8  39 o 114.4000       3.453000      1641.625      94.3   
1 1 1 5  8  40 f 123.1000       3.032000      1868.772      39.0   
1 1 1 5  8  41 o 31.97000       1.298000      989.1234      -127.5 
1 1 1 5  8  42 o 74.39000       1.948000      1409.476      -44.8  
1 1 1 5  8  43 o 24.75000       1.212000      917.1094      -47.7  
1 1 1 5  8  44 o 13.97000       1.099000      314.6795      -1.7   
1 1 1 5  8  45 o 74.04000       1.963000      1460.204      -31.1  
1 1 1 5  8  46 o 5.782000       1.041000      248.4805      28.0   
1 1 1 5  8  47 o 40.82000       1.647000      903.6349      168.8  
1 1 1 5  8  48 o 104.8000       2.943000      1402.730      -174.9 
1 1 1 5  8  49 o 160.3000       3.817000      ?             ?      
1 1 1 5  8  50 o 4.498000       1.128000      327.9975      119.8  
1 1 1 5  8  51 o 7.330000       1.180000      396.0764      -166.0 
1 1 1 5  8  52 o 7.693000       1.220000      390.1402      -30.8  
1 1 1 5  8  53 o 35.71000       1.553000      950.3086      60.4   
1 1 1 5  8  54 o 69.43000       2.263000      1180.235      -139.7 
1 1 1 5  8  55 o 24.03000       2.066000      718.8129      161.2  
1 1 1 5  8  56 o 19.58000       1.574000      525.4533      -73.0  
1 1 1 5  8  57 o 15.76000       1.476000      524.0547      113.4  
1 1 1 5  8  58 o 18.87000       1.541000      618.6409      -157.6 
1 1 1 5  8  59 o 59.77000       2.088000      ?             ?      
1 1 1 5  8  60 o 70.12000       2.252000      ?             ?      
1 1 1 5  8  61 o 20.41000       1.573000      669.9640      -109.6 
1 1 1 5  8  62 o 21.99000       1.816000      ?             ?      
1 1 1 5  8  63 o 6.488000       1.616000      ?             ?      
1 1 1 5  8  64 o 14.95000       1.706000      ?             ?      
1 1 1 5  8  65 o 26.50000       1.987000      ?             ?      
1 1 1 5  8  66 o 2.223000       1.526000      ?             ?      
1 1 1 5  8  67 o 6.520000       1.546000      ?             ?      
1 1 1 5  8  68 o 2.758000       1.493000      ?             ?      
1 1 1 5  8  69 o 5.902000       1.686000      ?             ?      
1 1 1 5  8  70 o 5.644000       1.910000      ?             ?      
1 1 1 5  8  71 o 2.873000       1.544000      ?             ?      
1 1 1 5  8  72 o 7.764000       1.479000      ?             ?      
1 1 1 5  8  73 o 2.854000       1.433000      ?             ?      
1 1 1 5  8  74 o 1.495000       1.463000      ?             ?      
1 1 1 5  8  76 o 4.091000       2.052000      ?             ?      
1 1 1 5  9  0  o 22.91000       0.7114000     805.7147      -90.0  
1 1 1 5  9  1  o 251.3000       4.696000      2003.992      -8.9   
1 1 1 5  9  2  o 20.39000       0.4400000     766.8143      -50.3  
1 1 1 5  9  3  o 335.2000       5.893000      2511.795      -82.6  
1 1 1 5  9  4  o 106.9000       2.033000      1820.036      50.2   
1 1 1 5  9  5  o 259.9000       4.667000      1738.711      -5.2   
1 1 1 5  9  6  o 31.76000       0.6675000     1087.115      -57.8  
1 1 1 5  9  7  o 216.9000       4.062000      2007.319      166.2  
1 1 1 5  9  8  o 184.8000       3.662000      1468.623      113.8  
1 1 1 5  9  9  o 199.4000       3.955000      1863.083      175.2  
1 1 1 5  9  10 o 135.0000       2.707000      1486.656      38.3   
1 1 1 5  9  11 o 127.5000       2.956000      1928.891      -92.5  
1 1 1 5  9  12 o 21.15000       0.7588000     822.3058      -132.9 
1 1 1 5  9  13 o 110.6000       2.601000      1389.591      -108.6 
1 1 1 5  9  14 o 51.35000       1.150000      1288.634      133.8  
1 1 1 5  9  15 o 28.53000       0.7625000     740.9894      -67.1  
1 1 1 5  9  16 o 15.00000       0.5773000     800.3148      -43.3  
1 1 1 5  9  17 o 75.43000       1.633000      1405.500      75.0   
1 1 1 5  9  18 o 90.37000       1.921000      1201.276      55.9   
1 1 1 5  9  19 o 118.0000       2.657000      1645.256      33.8   
1 1 1 5  9  20 o 47.50000       1.542000      1015.657      -22.5  
1 1 1 5  9  21 o 191.1000       5.016000      1815.552      88.9   
1 1 1 5  9  22 o 35.90000       1.110000      839.8253      -107.9 
1 1 1 5  9  23 o 253.4000       5.508000      1909.477      147.4  
1 1 1 5  9  24 o 19.79000       0.9204000     307.7631      -79.1  
1 1 1 5  9  25 f 662.5000       14.16000      3897.382      34.4   
1 1 1 5  9  26 o 147.2000       3.117000      1811.069      -119.3 
1 1 1 5  9  27 o 1427.000       30.35000      ?             ?      
1 1 1 5  9  28 o 187.4000       3.908000      2125.247      -60.0  
1 1 1 5  9  29 o 107.3000       2.435000      746.1036      162.5  
1 1 1 5  9  30 o 556.8000       12.77000      3504.186      26.4   
1 1 1 5  9  31 o 74.83000       2.197000      1168.406      46.5   
1 1 1 5  9  32 o 166.1000       3.568000      1787.230      -20.7  
1 1 1 5  9  33 o 491.7000       9.818000      3044.188      5.5    
1 1 1 5  9  34 o 164.5000       3.560000      1703.290      -135.2 
1 1 1 5  9  35 o 151.0000       3.303000      1397.092      -151.0 
1 1 1 5  9  36 o 423.2000       8.501000      3017.308      15.9   
1 1 1 5  9  37 o 204.0000       4.289000      2203.159      -158.1 
1 1 1 5  9  38 o 15.12000       1.241000      270.4801      96.1   
1 1 1 5  9  39 o 274.8000       7.334000      2398.700      49.6   
1 1 1 5  9  40 o 4.796000       1.236000      516.2579      -2.6   
1 1 1 5  9  41 o 36.78000       1.383000      1109.164      159.0  
1 1 1 5  9  42 o 134.2000       3.011000      1740.959      63.3   
1 1 1 5  9  43 o 8.918000       1.055000      313.2852      44.3   
1 1 1 5  9  44 o 187.2000       4.000000      ?             ?      
1 1 1 5  9  45 o 27.96000       1.263000      691.3475      -115.6 
1 1 1 5  9  46 o 32.44000       1.481000      1020.069      -22.2  
1 1 1 5  9  47 o 18.93000       1.548000      575.7203      147.4  
1 1 1 5  9  48 o 48.17000       1.806000      1008.938      104.3  
1 1 1 5  9  49 o 20.58000       1.252000      667.5489      -24.1  
1 1 1 5  9  50 o 65.20000       1.894000      1134.698      63.7   
1 1 1 5  9  51 o 7.653000       1.190000      350.0394      -43.9  
1 1 1 5  9  52 o 71.03000       2.062000      1330.342      -120.3 
1 1 1 5  9  53 o 17.32000       1.335000      568.2805      150.7  
1 1 1 5  9  54 o 18.07000       1.389000      586.2180      -161.0 
1 1 1 5  9  55 o 35.84000       2.212000      823.6526      175.0  
1 1 1 5  9  56 o 75.00000       2.942000      ?             ?      
1 1 1 5  9  57 o 3.311000       1.396000      198.0615      55.3   
1 1 1 5  9  58 o 15.85000       1.513000      536.8231      -134.4 
1 1 1 5  9  59 o 2.207000       1.441000      240.9136      -124.9 
1 1 1 5  9  60 o 22.10000       1.615000      580.5285      26.0   
1 1 1 5  9  61 o 5.290000       1.562000      325.5180      72.2   
1 1 1 5  9  63 o 8.288000       1.646000      ?             ?      
1 1 1 5  9  64 o 23.58000       1.598000      ?             ?      
1 1 1 5  9  65 o 2.349000       1.493000      ?             ?      
1 1 1 5  9  66 o 3.642000       1.493000      ?             ?      
1 1 1 5  9  67 o 12.63000       1.786000      ?             ?      
1 1 1 5  9  68 o 6.958000       1.695000      ?             ?      
1 1 1 5  9  69 o 2.254000       1.607000      ?             ?      
1 1 1 5  9  72 o 6.331000       1.472000      ?             ?      
1 1 1 5  9  73 o 5.580000       1.464000      ?             ?      
1 1 1 5  9  76 o 6.063000       1.734000      ?             ?      
1 1 1 5  10 0  o 1.508000       0.2700000     148.1721      -90.0  
1 1 1 5  10 1  o 9.482000       0.2896000     545.7095      -68.5  
1 1 1 5  10 2  o 0.5289000      0.1764000     235.9377      -72.5  
1 1 1 5  10 3  o 164.9000       2.918000      1892.138      179.7  
1 1 1 5  10 4  o 159.1000       3.028000      1567.421      -175.7 
1 1 1 5  10 5  o 85.00000       1.588000      992.8854      116.7  
1 1 1 5  10 6  o 51.41000       1.163000      742.0251      -47.6  
1 1 1 5  10 7  o 33.12000       0.7421000     1008.272      88.5   
1 1 1 5  10 8  o 35.58000       0.8725000     839.2681      -65.3  
1 1 1 5  10 9  o 109.4000       2.206000      1260.438      -138.3 
1 1 1 5  10 10 o 133.8000       2.896000      1543.851      48.6   
1 1 1 5  10 11 o 41.74000       1.166000      1040.011      135.2  
1 1 1 5  10 12 o 35.81000       1.164000      1146.337      -94.9  
1 1 1 5  10 13 o 62.97000       1.457000      1129.042      117.3  
1 1 1 5  10 14 o 121.7000       2.482000      1417.413      34.2   
1 1 1 5  10 15 o 102.9000       2.132000      1388.540      21.8   
1 1 1 5  10 16 o 7.704000       0.4950000     293.7849      -84.0  
1 1 1 5  10 17 o 8.448000       0.5278000     832.8661      59.4   
1 1 1 5  10 18 o 44.60000       1.096000      802.3488      -32.8  
1 1 1 5  10 19 o 119.4000       2.698000      1035.330      -66.9  
1 1 1 5  10 20 o 758.0000       18.26000      3530.518      68.2   
1 1 1 5  10 21 o 259.8000       6.730000      2256.176      -122.6 
1 1 1 5  10 22 o 229.5000       6.008000      2127.742      145.2  
1 1 1 5  10 23 o 677.2000       15.43000      3702.366      80.4   
1 1 1 5  10 24 o 223.0000       4.897000      2572.137      -84.6  
1 1 1 5  10 25 o 192.3000       4.275000      1706.213      128.2  
1 1 1 5  10 26 o 400.5000       7.990000      3154.105      116.4  
1 1 1 5  10 27 o 61.76000       1.589000      1474.511      -78.5  
1 1 1 5  10 28 o 499.1000       9.924000      3061.060      -38.2  
1 1 1 5  10 29 o 137.8000       3.431000      1565.645      171.9  
1 1 1 5  10 30 o 388.8000       10.98000      2236.881      157.2  
1 1 1 5  10 31 o 293.0000       6.866000      2415.580      99.4   
1 1 1 5  10 32 o 189.7000       4.006000      1964.695      -72.1  
1 1 1 5  10 33 o 81.64000       2.070000      1374.149      -68.2  
1 1 1 5  10 34 o 181.3000       3.856000      1842.827      101.8  
1 1 1 5  10 35 o 654.6000       13.00000      ?             ?      
1 1 1 5  10 36 o 29.00000       1.291000      425.4210      -96.5  
1 1 1 5  10 37 o 18.02000       1.151000      691.9339      147.9  
1 1 1 5  10 38 o 126.0000       3.092000      1517.079      121.1  
1 1 1 5  10 39 o 238.1000       6.398000      2251.696      8.6    
1 1 1 5  10 40 o 67.16000       2.431000      1360.647      -116.5 
1 1 1 5  10 41 o 147.7000       3.525000      1932.258      -152.1 
1 1 1 5  10 42 o 62.01000       1.749000      1356.233      -26.1  
1 1 1 5  10 43 o 30.85000       1.292000      633.4016      -82.4  
1 1 1 5  10 44 o 10.47000       1.080000      397.1189      35.4   
1 1 1 5  10 45 o 53.99000       1.647000      988.4105      40.9   
1 1 1 5  10 46 o 56.12000       1.921000      1080.303      84.0   
1 1 1 5  10 47 o 78.26000       2.407000      1317.200      145.2  
1 1 1 5  10 48 o 25.12000       1.372000      621.4727      121.2  
1 1 1 5  10 49 o 34.59000       1.421000      724.5189      38.5   
1 1 1 5  10 50 o 14.59000       1.222000      459.5210      -147.6 
1 1 1 5  10 51 o 12.62000       1.236000      532.7410      -174.0 
1 1 1 5  10 53 o 59.13000       2.084000      1179.656      -114.8 
1 1 1 5  10 54 o 6.599000       1.284000      391.4746      -119.7 
1 1 1 5  10 55 o 21.63000       1.756000      638.5856      154.2  
1 1 1 5  10 56 o 3.991000       1.880000      205.4411      -52.9  
1 1 1 5  10 57 o 13.97000       1.575000      551.3477      47.8   
1 1 1 5  10 58 o 20.27000       1.557000      666.3340      -56.0  
1 1 1 5  10 59 o 12.17000       1.489000      625.2925      -110.2 
1 1 1 5  10 60 o 8.583000       1.481000      427.7997      -38.1  
1 1 1 5  10 61 o 2.601000       1.638000      ?             ?      
1 1 1 5  10 63 o 20.56000       1.572000      ?             ?      
1 1 1 5  10 64 o 3.920000       1.545000      ?             ?      
1 1 1 5  10 66 o 2.643000       1.383000      ?             ?      
1 1 1 5  10 67 o 7.171000       1.500000      ?             ?      
1 1 1 5  10 68 o 3.653000       1.480000      ?             ?      
1 1 1 5  10 69 o -0.4565000     1.502000      ?             ?      
1 1 1 5  10 70 o 2.417000       2.287000      ?             ?      
1 1 1 5  10 71 o 5.581000       2.564000      ?             ?      
1 1 1 5  10 72 o 0.4474000      1.536000      ?             ?      
1 1 1 5  10 73 o 3.454000       1.452000      ?             ?      
1 1 1 5  10 74 o 6.384000       1.716000      ?             ?      
1 1 1 5  10 75 o 1.765000       2.031000      ?             ?      
1 1 1 5  11 0  o 31.42000       0.9611000     728.9791      90.0   
1 1 1 5  11 1  o 176.6000       3.492000      1350.878      33.7   
1 1 1 5  11 2  o 187.9000       3.525000      2340.855      -120.4 
1 1 1 5  11 3  o 83.30000       1.678000      845.0916      -41.3  
1 1 1 5  11 4  o 33.64000       0.7874000     741.1840      -71.7  
1 1 1 5  11 5  o 32.57000       0.6564000     900.3307      -53.8  
1 1 1 5  11 6  o 90.33000       2.210000      1112.687      158.2  
1 1 1 5  11 7  o 179.8000       3.391000      1861.939      166.1  
1 1 1 5  11 8  o 279.8000       5.225000      1533.997      76.5   
1 1 1 5  11 9  o 11.68000       0.4202000     778.8872      -92.1  
1 1 1 5  11 10 o 23.34000       0.7434000     537.4047      131.7  
1 1 1 5  11 11 o 129.2000       3.638000      1222.562      -136.7 
1 1 1 5  11 12 o 73.64000       1.773000      1160.143      -129.5 
1 1 1 5  11 13 o 56.12000       1.231000      1176.194      68.8   
1 1 1 5  11 14 o 184.9000       3.705000      1622.501      93.0   
1 1 1 5  11 15 o 34.20000       0.8663000     621.3596      0.5    
1 1 1 5  11 16 o 9.701000       0.5312000     798.5731      66.7   
1 1 1 5  11 17 o 177.6000       3.874000      1707.302      67.5   
1 1 1 5  11 18 o 40.17000       1.029000      924.2338      116.4  
1 1 1 5  11 19 o 148.8000       3.303000      1599.826      -93.6  
1 1 1 5  11 20 o 155.4000       3.697000      1938.742      -8.7   
1 1 1 5  11 21 f 1257.000       31.86000      ?             ?      
1 1 1 5  11 22 o 757.1000       21.11000      3840.691      -110.6 
1 1 1 5  11 23 o 382.0000       8.220000      2898.682      168.9  
1 1 1 5  11 24 o 19.83000       0.8767000     763.4624      162.4  
1 1 1 5  11 25 o 644.7000       12.74000      3235.443      84.1   
1 1 1 5  11 26 o 560.1000       11.10000      3560.004      175.5  
1 1 1 5  11 27 o 166.8000       3.499000      1667.241      163.9  
1 1 1 5  11 28 o 99.55000       2.281000      1741.454      -52.2  
1 1 1 5  11 29 o 56.39000       1.790000      969.1511      -173.6 
1 1 1 5  11 30 o 256.1000       6.044000      1467.425      50.1   
1 1 1 5  11 31 f 122.7000       2.767000      1235.736      161.5  
1 1 1 5  11 32 o 665.8000       13.20000      3635.457      -105.5 
1 1 1 5  11 33 o 389.9000       7.843000      2731.060      -69.2  
1 1 1 5  11 34 o 237.5000       4.917000      2315.091      -102.7 
1 1 1 5  11 35 o 144.2000       3.179000      1767.700      -82.6  
1 1 1 5  11 36 o 161.1000       3.484000      1867.548      -22.7  
1 1 1 5  11 37 o 171.6000       3.675000      1904.566      156.9  
1 1 1 5  11 39 o 31.84000       1.441000      839.2136      -0.1   
1 1 1 5  11 40 o 37.96000       1.926000      1037.875      -102.7 
1 1 1 5  11 41 o 17.60000       1.259000      479.1266      71.1   
1 1 1 5  11 42 o 65.82000       1.815000      1104.626      -4.2   
1 1 1 5  11 43 o 42.67000       1.451000      912.0412      -122.8 
1 1 1 5  11 44 o 40.93000       1.444000      720.7895      177.3  
1 1 1 5  11 46 o 31.42000       1.776000      909.4318      -104.7 
1 1 1 5  11 47 o 7.451000       1.246000      569.8956      140.3  
1 1 1 5  11 48 o 41.32000       1.517000      1022.795      -19.2  
1 1 1 5  11 49 o 58.19000       1.767000      1052.944      -32.3  
1 1 1 5  11 50 o 52.48000       1.710000      1022.268      110.3  
1 1 1 5  11 51 o 10.64000       1.224000      371.9394      -167.3 
1 1 1 5  11 52 o 36.69000       1.551000      919.2436      -83.9  
1 1 1 5  11 53 o 5.434000       1.313000      336.7025      26.7   
1 1 1 5  11 54 o 114.5000       2.837000      ?             ?      
1 1 1 5  11 55 o 2.658000       1.419000      252.4688      -112.6 
1 1 1 5  11 56 o 49.97000       2.521000      882.5114      -73.5  
1 1 1 5  11 57 o 8.379000       1.652000      259.7336      32.6   
1 1 1 5  11 58 o 21.71000       1.577000      761.8747      -125.1 
1 1 1 5  11 59 o 15.06000       1.526000      681.8217      39.1   
1 1 1 5  11 60 o 33.40000       1.862000      768.3932      80.8   
1 1 1 5  11 61 o 7.508000       1.874000      ?             ?      
1 1 1 5  11 62 o 20.21000       1.792000      ?             ?      
1 1 1 5  11 63 o 11.34000       1.476000      ?             ?      
1 1 1 5  11 64 o 19.68000       1.545000      ?             ?      
1 1 1 5  11 66 o 5.509000       1.404000      ?             ?      
1 1 1 5  11 67 o 15.75000       1.495000      ?             ?      
1 1 1 5  11 68 o 9.109000       1.529000      ?             ?      
1 1 1 5  11 69 o 0.8075000      1.383000      ?             ?      
1 1 1 5  11 70 o 3.015000       1.653000      ?             ?      
1 1 1 5  11 71 o 1.834000       2.408000      ?             ?      
1 1 1 5  11 72 o 6.332000       2.309000      ?             ?      
1 1 1 5  11 74 o 3.172000       1.675000      ?             ?      
1 1 1 5  11 75 o 2.614000       1.711000      ?             ?      
1 1 1 5  11 76 o 5.423000       1.746000      ?             ?      
1 1 1 5  12 0  o 63.96000       1.852000      1089.617      90.0   
1 1 1 5  12 1  o 13.21000       0.3711000     1033.376      -157.7 
1 1 1 5  12 2  o 34.14000       0.7416000     350.0935      95.4   
1 1 1 5  12 3  o 32.85000       0.7209000     1017.268      -88.0  
1 1 1 5  12 4  o 38.23000       0.7847000     1202.978      132.1  
1 1 1 5  12 5  o 158.0000       2.985000      1769.315      125.4  
1 1 1 5  12 6  o 21.15000       0.4994000     528.7273      -29.0  
1 1 1 5  12 7  o 441.2000       7.905000      2600.419      174.1  
1 1 1 5  12 8  o 36.02000       0.8876000     1018.683      -33.0  
1 1 1 5  12 9  o 152.6000       3.128000      1472.892      -173.0 
1 1 1 5  12 10 o 3.529000       0.3101000     465.4710      178.7  
1 1 1 5  12 11 o 156.5000       4.022000      1754.130      162.2  
1 1 1 5  12 12 o 28.95000       0.7661000     509.0109      46.8   
1 1 1 5  12 13 o 41.65000       0.9708000     757.7315      -36.2  
1 1 1 5  12 14 o 44.10000       1.126000      914.7324      36.1   
1 1 1 5  12 15 o 248.5000       5.354000      2525.687      91.1   
1 1 1 5  12 16 o 482.8000       10.28000      2778.660      88.7   
1 1 1 5  12 17 o 240.4000       5.883000      2199.874      -16.7  
1 1 1 5  12 18 o 12.88000       0.7060000     530.5326      -115.8 
1 1 1 5  12 19 o 128.6000       2.894000      1649.894      -114.2 
1 1 1 5  12 20 o 329.2000       7.091000      1931.037      72.2   
1 1 1 5  12 21 o 182.1000       4.030000      1298.307      -82.7  
1 1 1 5  12 22 o 48.70000       1.684000      945.1168      -27.7  
1 1 1 5  12 23 o 17.46000       1.159000      353.3553      176.7  
1 1 1 5  12 24 o 653.1000       13.94000      3669.088      -99.0  
1 1 1 5  12 25 o 172.7000       3.594000      1865.364      78.0   
1 1 1 5  12 26 o 17.31000       0.9427000     433.2216      -14.0  
1 1 1 5  12 27 o 28.39000       1.108000      1299.417      -21.9  
1 1 1 5  12 28 o 253.6000       5.956000      1618.623      -7.2   
1 1 1 5  12 29 o 156.8000       4.665000      1248.359      -159.1 
1 1 1 5  12 30 o 265.4000       6.254000      2144.221      -90.3  
1 1 1 5  12 31 o 54.52000       1.611000      1253.182      -84.6  
1 1 1 5  12 32 o 10.61000       1.126000      111.7660      106.6  
1 1 1 5  12 33 o 137.0000       3.023000      1788.579      2.7    
1 1 1 5  12 34 o 49.70000       1.534000      751.9554      167.5  
1 1 1 5  12 35 o 109.9000       2.547000      1345.813      32.4   
1 1 1 5  12 36 o 8.793000       1.070000      268.4027      -136.2 
1 1 1 5  12 37 o 73.88000       1.924000      1519.486      112.3  
1 1 1 5  12 38 o 161.1000       3.492000      1873.135      -21.9  
1 1 1 5  12 39 o 80.40000       2.214000      1268.036      -44.3  
1 1 1 5  12 40 o 65.36000       2.420000      1144.234      -132.4 
1 1 1 5  12 41 o 110.0000       3.407000      1688.384      -124.4 
1 1 1 5  12 42 o 85.13000       2.326000      1368.823      -51.4  
1 1 1 5  12 43 o 57.33000       1.684000      1131.369      -95.3  
1 1 1 5  12 44 o 82.85000       2.127000      1075.409      -54.4  
1 1 1 5  12 45 o 111.9000       3.014000      1534.198      28.8   
1 1 1 5  12 46 o 66.88000       2.397000      1253.982      106.7  
1 1 1 5  12 47 o 41.97000       1.620000      1059.723      176.0  
1 1 1 5  12 48 o 17.99000       1.215000      648.4223      167.5  
1 1 1 5  12 49 o 21.94000       1.268000      615.4232      56.5   
1 1 1 5  12 50 o 5.519000       1.149000      282.3779      -98.0  
1 1 1 5  12 51 o 6.349000       1.203000      411.1339      84.5   
1 1 1 5  12 52 o 115.7000       2.832000      ?             ?      
1 1 1 5  12 53 o 21.51000       1.384000      703.7679      -76.3  
1 1 1 5  12 54 o 89.47000       2.420000      ?             ?      
1 1 1 5  12 55 o 12.34000       1.353000      563.4165      49.8   
1 1 1 5  12 56 o 67.89000       2.541000      ?             ?      
1 1 1 5  12 57 o 41.80000       2.416000      892.7728      -33.7  
1 1 1 5  12 58 o 19.48000       1.656000      702.0173      101.4  
1 1 1 5  12 59 o 6.723000       1.462000      311.6313      -95.7  
1 1 1 5  12 61 o 11.78000       1.904000      ?             ?      
1 1 1 5  12 62 o 7.108000       1.524000      ?             ?      
1 1 1 5  12 63 o 13.94000       1.479000      ?             ?      
1 1 1 5  12 64 o 3.247000       1.383000      ?             ?      
1 1 1 5  12 65 o 15.67000       1.473000      ?             ?      
1 1 1 5  12 67 o 10.37000       1.433000      ?             ?      
1 1 1 5  12 68 f 13.71000       1.465000      ?             ?      
1 1 1 5  12 69 o -0.9980000E-01 1.374000      ?             ?      
1 1 1 5  12 70 o 3.471000       1.520000      ?             ?      
1 1 1 5  12 71 o 8.845000       1.954000      ?             ?      
1 1 1 5  12 72 o 1.894000       1.900000      ?             ?      
1 1 1 5  12 73 o 2.435000       2.731000      ?             ?      
1 1 1 5  12 74 o 4.901000       1.826000      ?             ?      
1 1 1 5  12 75 o 6.351000       1.895000      ?             ?      
1 1 1 5  13 0  o 99.10000       2.810000      1995.800      90.0   
1 1 1 5  13 1  o 0.8083000      0.2468000     728.8984      79.2   
1 1 1 5  13 2  o 51.90000       1.082000      1098.682      -81.5  
1 1 1 5  13 3  o 149.5000       2.970000      1204.706      -4.3   
1 1 1 5  13 4  o 9.585000       0.3250000     919.4637      137.3  
1 1 1 5  13 5  o 2.566000       0.2301000     283.8514      -135.1 
1 1 1 5  13 6  o 448.5000       8.045000      3093.180      -152.4 
1 1 1 5  13 7  o 69.62000       1.492000      976.4827      3.6    
1 1 1 5  13 8  o 162.1000       3.244000      1779.121      -74.0  
1 1 1 5  13 9  o 197.3000       4.035000      1879.187      145.5  
1 1 1 5  13 10 o 88.40000       2.262000      1315.111      -69.5  
1 1 1 5  13 11 o 11.36000       0.5300000     919.9970      -56.7  
1 1 1 5  13 12 o 68.33000       1.575000      1457.323      97.7   
1 1 1 5  13 13 o 180.2000       3.912000      1912.770      71.6   
1 1 1 5  13 14 o 11.58000       0.7209000     669.4146      -171.3 
1 1 1 5  13 15 o 306.4000       6.568000      1865.416      -113.5 
1 1 1 5  13 16 o 172.9000       3.788000      1674.112      109.0  
1 1 1 5  13 17 o 306.4000       6.595000      2453.054      -150.8 
1 1 1 5  13 18 o 76.41000       1.686000      1507.794      -113.9 
1 1 1 5  13 19 o 167.7000       3.425000      1716.976      -83.3  
1 1 1 5  13 20 o 21.88000       0.7986000     581.4080      29.9   
1 1 1 5  13 21 o 855.0000       18.19000      4237.575      136.2  
1 1 1 5  13 22 o 192.6000       4.555000      1908.060      -90.9  
1 1 1 5  13 23 o 117.6000       3.174000      1432.167      41.4   
1 1 1 5  13 24 o 332.2000       7.212000      2821.148      148.9  
1 1 1 5  13 25 o 11.84000       0.8615000     721.7037      73.8   
1 1 1 5  13 26 o 469.6000       9.340000      3124.485      -147.0 
1 1 1 5  13 27 o 384.8000       7.706000      2198.433      161.8  
1 1 1 5  13 28 o 102.1000       2.696000      1671.314      76.0   
1 1 1 5  13 29 o 150.5000       3.737000      1744.180      -35.2  
1 1 1 5  13 30 o 113.3000       2.597000      1328.091      -149.3 
1 1 1 5  13 31 o 272.3000       5.581000      2382.286      -124.7 
1 1 1 5  13 32 o 166.7000       3.580000      1640.479      -85.2  
1 1 1 5  13 33 o 43.05000       1.445000      957.1456      144.2  
1 1 1 5  13 34 o 281.5000       5.762000      2325.414      -123.7 
1 1 1 5  13 35 o 47.91000       1.523000      824.5935      32.7   
1 1 1 5  13 36 o 104.2000       2.449000      1579.216      43.6   
1 1 1 5  13 37 o 111.6000       2.579000      1732.378      58.0   
1 1 1 5  13 38 o 13.22000       1.146000      481.4491      -9.6   
1 1 1 5  13 39 o 23.56000       1.193000      700.5898      -5.8   
1 1 1 5  13 40 o 28.05000       1.389000      654.9415      43.3   
1 1 1 5  13 41 o 116.0000       3.422000      1816.400      41.1   
1 1 1 5  13 42 o 21.25000       1.287000      793.5105      -61.6  
1 1 1 5  13 43 o 25.44000       1.241000      901.3723      105.8  
1 1 1 5  13 44 o 69.44000       2.045000      1371.757      114.1  
1 1 1 5  13 45 o 72.57000       2.667000      1189.304      -87.8  
1 1 1 5  13 46 o 44.28000       1.740000      869.5302      -150.8 
1 1 1 5  13 47 o -0.2797000     1.077000      175.8937      35.0   
1 1 1 5  13 48 o 27.19000       1.323000      670.6597      -90.8  
1 1 1 5  13 49 o 4.794000       1.129000      233.7975      63.1   
1 1 1 5  13 50 o 10.72000       1.197000      343.8972      7.4    
1 1 1 5  13 51 o 16.72000       1.287000      570.4039      7.3    
1 1 1 5  13 52 o 2.596000       1.210000      35.97947      -10.2  
1 1 1 5  13 53 o 3.583000       1.239000      282.8599      53.8   
1 1 1 5  13 54 o 29.40000       1.506000      640.1759      23.1   
1 1 1 5  13 55 o 22.06000       1.445000      741.5656      42.8   
1 1 1 5  13 56 o 7.323000       1.522000      407.4128      91.5   
1 1 1 5  13 57 o 2.766000       1.941000      152.8286      95.0   
1 1 1 5  13 58 o 3.892000       1.648000      308.8715      60.6   
1 1 1 5  13 59 o 31.63000       1.741000      870.1485      75.2   
1 1 1 5  13 60 o 23.86000       1.860000      851.3000      70.1   
1 1 1 5  13 61 o 15.74000       1.730000      ?             ?      
1 1 1 5  13 62 o 5.247000       1.413000      ?             ?      
1 1 1 5  13 63 o 9.630000       1.428000      ?             ?      
1 1 1 5  13 64 o 5.221000       1.384000      ?             ?      
1 1 1 5  13 65 o 12.03000       1.422000      ?             ?      
1 1 1 5  13 66 o 7.343000       1.407000      ?             ?      
1 1 1 5  13 67 o 2.600000       1.359000      ?             ?      
1 1 1 5  13 68 o 2.359000       1.359000      ?             ?      
1 1 1 5  13 69 o 5.787000       1.398000      ?             ?      
1 1 1 5  13 70 o 2.987000       1.392000      ?             ?      
1 1 1 5  13 71 o 1.959000       1.651000      ?             ?      
1 1 1 5  13 72 o -0.1653000     1.926000      ?             ?      
1 1 1 5  13 73 o 2.377000       1.843000      ?             ?      
1 1 1 5  13 74 o 0.1128000      1.661000      ?             ?      
1 1 1 5  13 75 o 4.057000       1.689000      ?             ?      
1 1 1 5  14 0  o 161.8000       4.543000      2063.385      90.0   
1 1 1 5  14 1  f 23.49000       0.5740000     855.8923      28.5   
1 1 1 5  14 2  o 18.85000       0.4919000     965.5555      -104.3 
1 1 1 5  14 3  o 34.52000       0.7680000     971.3784      135.2  
1 1 1 5  14 4  o 13.82000       0.4063000     210.9814      -100.1 
1 1 1 5  14 5  o 52.22000       1.210000      1017.963      -145.0 
1 1 1 5  14 6  o 26.22000       0.7632000     811.1349      -96.4  
1 1 1 5  14 7  o 18.54000       0.6604000     442.9040      -28.1  
1 1 1 5  14 8  o 28.15000       0.9348000     431.8368      116.5  
1 1 1 5  14 9  o 189.9000       4.901000      2029.106      -60.6  
1 1 1 5  14 10 o 317.8000       7.238000      1877.791      161.7  
1 1 1 5  14 11 o 26.11000       0.7706000     911.5071      105.0  
1 1 1 5  14 12 o 58.92000       1.409000      1431.853      67.1   
1 1 1 5  14 13 o 68.55000       1.726000      1291.366      21.3   
1 1 1 5  14 14 o 18.29000       0.6625000     390.4445      -167.8 
1 1 1 5  14 15 o 48.30000       1.226000      1111.894      111.8  
1 1 1 5  14 16 o 121.4000       2.509000      1485.695      32.1   
1 1 1 5  14 17 o 506.4000       9.994000      2879.205      -57.6  
1 1 1 5  14 18 o 208.6000       4.203000      2122.407      -145.3 
1 1 1 5  14 19 o 57.83000       1.366000      1180.208      -68.3  
1 1 1 5  14 20 o 359.4000       7.146000      2300.829      56.8   
1 1 1 5  14 21 o 173.5000       3.561000      1893.728      -99.6  
1 1 1 5  14 22 o 114.4000       2.660000      1640.318      151.1  
1 1 1 5  14 23 o 544.7000       13.89000      3282.942      -144.0 
1 1 1 5  14 24 o 523.1000       13.42000      3235.335      -77.2  
1 1 1 5  14 25 o 16.55000       1.119000      581.8099      126.0  
1 1 1 5  14 26 o 56.97000       1.527000      861.1146      -50.3  
1 1 1 5  14 27 o 57.10000       1.757000      1167.894      27.1   
1 1 1 5  14 28 o 39.22000       1.748000      881.0585      -51.1  
1 1 1 5  14 29 o 172.3000       4.215000      1962.601      -5.8   
1 1 1 5  14 30 o 83.81000       2.082000      1537.966      -34.9  
1 1 1 5  14 31 o 21.21000       1.193000      829.2489      -77.5  
1 1 1 5  14 32 o 56.90000       1.636000      1230.514      -4.0   
1 1 1 5  14 33 o 4.414000       1.034000      401.4265      -109.8 
1 1 1 5  14 34 o 155.9000       3.385000      1669.657      -171.1 
1 1 1 5  14 35 o 245.5000       5.080000      2630.381      65.6   
1 1 1 5  14 36 o 162.9000       3.524000      1797.130      102.9  
1 1 1 5  14 37 o 29.32000       1.246000      757.8065      -110.0 
1 1 1 5  14 38 o 4.753000       1.008000      498.3310      -138.7 
1 1 1 5  14 39 o 58.44000       1.665000      1451.901      -108.3 
1 1 1 5  14 40 o 44.51000       1.596000      1088.611      -89.4  
1 1 1 5  14 41 o 40.10000       1.965000      882.8541      -135.3 
1 1 1 5  14 42 o 21.01000       1.644000      535.8103      72.7   
1 1 1 5  14 43 o 15.02000       1.228000      489.8354      -84.6  
1 1 1 5  14 44 o 40.97000       1.637000      724.6048      101.4  
1 1 1 5  14 45 o 21.68000       1.521000      414.0714      -166.9 
1 1 1 5  14 46 o 2.146000       1.084000      233.8081      -113.0 
1 1 1 5  14 47 o 14.17000       1.164000      453.8929      -110.4 
1 1 1 5  14 48 o 20.46000       1.243000      384.5723      4.5    
1 1 1 5  14 49 o 18.65000       1.242000      768.7903      -41.5  
1 1 1 5  14 50 o 9.488000       1.196000      238.5954      -99.5  
1 1 1 5  14 51 o 55.83000       1.806000      1129.267      29.9   
1 1 1 5  14 52 o 28.94000       1.449000      700.4881      -163.4 
1 1 1 5  14 53 o 13.10000       1.308000      389.7351      128.5  
1 1 1 5  14 54 o 31.01000       1.530000      798.4500      -16.2  
1 1 1 5  14 55 o 4.270000       1.317000      217.9107      68.0   
1 1 1 5  14 56 o 13.02000       1.423000      493.7552      -7.3   
1 1 1 5  14 57 o 38.31000       2.107000      955.9603      -148.9 
1 1 1 5  14 58 o 12.62000       2.020000      573.6775      88.6   
1 1 1 5  14 59 o 2.627000       1.813000      274.2809      -127.2 
1 1 1 5  14 60 o 2.673000       1.939000      ?             ?      
1 1 1 5  14 61 o 26.91000       1.838000      ?             ?      
1 1 1 5  14 62 o 11.55000       1.449000      ?             ?      
1 1 1 5  14 63 o 10.88000       1.433000      ?             ?      
1 1 1 5  14 64 o 23.14000       1.567000      ?             ?      
1 1 1 5  14 65 o 9.263000       1.405000      ?             ?      
1 1 1 5  14 66 o 5.571000       1.385000      ?             ?      
1 1 1 5  14 67 o 2.207000       1.346000      ?             ?      
1 1 1 5  14 68 o 7.274000       1.387000      ?             ?      
1 1 1 5  14 69 o 4.711000       1.376000      ?             ?      
1 1 1 5  14 70 o 0.1159000      1.376000      ?             ?      
1 1 1 5  14 71 o 5.961000       1.578000      ?             ?      
1 1 1 5  14 72 o -0.9759000     2.364000      ?             ?      
1 1 1 5  14 73 o -0.2168000     2.037000      ?             ?      
1 1 1 5  14 74 o 2.880000       1.663000      ?             ?      
1 1 1 5  14 75 o 4.561000       1.496000      ?             ?      
1 1 1 5  15 0  o 0.8158000      0.4100000     8.492636      90.0   
1 1 1 5  15 1  o 13.49000       0.4307000     287.6339      166.4  
1 1 1 5  15 2  o 61.31000       1.280000      964.2966      100.7  
1 1 1 5  15 3  o 63.86000       1.331000      1016.939      5.5    
1 1 1 5  15 4  o 47.81000       0.9766000     741.8101      52.7   
1 1 1 5  15 5  o 83.49000       1.853000      1254.360      -46.2  
1 1 1 5  15 6  o 10.55000       0.5522000     152.6584      110.3  
1 1 1 5  15 7  o 93.49000       2.337000      1359.405      35.7   
1 1 1 5  15 8  o 13.08000       0.7031000     700.7343      136.8  
1 1 1 5  15 10 o 115.7000       3.330000      1344.012      -41.9  
1 1 1 5  15 11 o 201.4000       4.348000      1822.086      -146.8 
1 1 1 5  15 12 f 44.37000       1.101000      934.1638      85.6   
1 1 1 5  15 13 o 365.0000       7.218000      2774.518      -59.4  
1 1 1 5  15 14 o 14.13000       0.5400000     530.1249      -45.4  
1 1 1 5  15 15 o 46.54000       1.096000      1045.422      4.4    
1 1 1 5  15 16 o 28.12000       0.8040000     852.1146      108.3  
1 1 1 5  15 17 o 458.2000       9.051000      2866.624      -121.9 
1 1 1 5  15 18 o 61.81000       1.745000      1197.448      -64.2  
1 1 1 5  15 19 o 614.8000       12.12000      3671.399      -80.4  
1 1 1 5  15 20 o 21.61000       0.8064000     936.5429      1.3    
1 1 1 5  15 21 o 6.851000       0.7201000     175.9360      87.8   
1 1 1 5  15 22 o 312.8000       6.781000      2393.413      -85.1  
1 1 1 5  15 23 o 91.44000       2.401000      1431.858      110.5  
1 1 1 5  15 24 o 96.01000       2.730000      1479.087      -112.7 
1 1 1 5  15 25 o 280.1000       6.136000      2210.148      -15.8  
1 1 1 5  15 26 o 120.6000       2.663000      1787.832      -154.9 
1 1 1 5  15 27 o 224.6000       5.328000      2089.971      87.6   
1 1 1 5  15 28 o 59.97000       1.896000      1216.551      133.6  
1 1 1 5  15 29 o 26.91000       1.216000      667.8072      -101.2 
1 1 1 5  15 30 o 28.45000       1.266000      810.0089      -174.4 
1 1 1 5  15 31 o 11.13000       1.081000      557.7783      153.3  
1 1 1 5  15 32 o 35.48000       1.391000      876.2009      9.5    
1 1 1 5  15 33 o 32.44000       1.275000      463.2637      -100.9 
1 1 1 5  15 34 o 58.30000       1.655000      1209.941      -126.4 
1 1 1 5  15 35 o 22.93000       1.170000      666.7386      77.7   
1 1 1 5  15 36 o 88.85000       2.173000      801.8639      -53.0  
1 1 1 5  15 37 o 40.56000       1.387000      663.5569      65.4   
1 1 1 5  15 38 o 17.24000       1.098000      549.0185      38.0   
1 1 1 5  15 39 o 47.55000       1.492000      978.0460      -86.0  
1 1 1 5  15 40 o 48.49000       1.534000      1088.697      -54.3  
1 1 1 5  15 41 o 9.048000       1.166000      352.6875      -84.1  
1 1 1 5  15 42 o 9.876000       1.470000      356.6030      134.6  
1 1 1 5  15 43 o 65.16000       2.269000      1101.712      99.4   
1 1 1 5  15 44 o 26.02000       1.673000      818.3073      1.4    
1 1 1 5  15 45 o 9.821000       1.239000      539.6930      -148.0 
1 1 1 5  15 46 o 20.76000       1.217000      745.4031      81.3   
1 1 1 5  15 47 o 5.682000       1.090000      291.6673      31.8   
1 1 1 5  15 48 o 12.77000       1.160000      403.5088      159.5  
1 1 1 5  15 49 o 28.37000       1.371000      872.3347      -11.8  
1 1 1 5  15 50 o 11.44000       1.214000      603.6432      -98.1  
1 1 1 5  15 51 o 33.47000       1.474000      597.8043      -166.2 
1 1 1 5  15 52 o 9.476000       1.235000      495.6786      80.4   
1 1 1 5  15 53 o 3.720000       1.230000      222.9283      -38.4  
1 1 1 5  15 54 o 6.360000       1.281000      506.5616      99.3   
1 1 1 5  15 55 o 11.94000       1.379000      429.9142      64.9   
1 1 1 5  15 56 o 16.82000       1.478000      542.2941      112.1  
1 1 1 5  15 57 o 13.07000       1.609000      589.8146      175.9  
1 1 1 5  15 58 o 4.316000       2.009000      317.2853      21.7   
1 1 1 5  15 59 o 1.975000       2.006000      293.6837      93.0   
1 1 1 5  15 60 o 13.84000       1.694000      ?             ?      
1 1 1 5  15 61 o 5.308000       1.388000      ?             ?      
1 1 1 5  15 62 o 2.652000       1.369000      ?             ?      
1 1 1 5  15 63 o 6.725000       1.405000      ?             ?      
1 1 1 5  15 64 o 13.19000       1.445000      ?             ?      
1 1 1 5  15 65 o 0.7611000      1.352000      ?             ?      
1 1 1 5  15 66 o 1.750000       1.328000      ?             ?      
1 1 1 5  15 67 o 9.132000       1.394000      ?             ?      
1 1 1 5  15 68 o 1.659000       1.349000      ?             ?      
1 1 1 5  15 69 o 4.179000       1.392000      ?             ?      
1 1 1 5  15 70 o 0.2820000      1.372000      ?             ?      
1 1 1 5  15 71 o -0.9026000     1.384000      ?             ?      
1 1 1 5  15 72 o 2.767000       1.995000      ?             ?      
1 1 1 5  15 73 o -4.772000      2.865000      ?             ?      
1 1 1 5  15 74 o 2.813000       2.835000      ?             ?      
1 1 1 5  15 75 o 2.651000       1.465000      ?             ?      
1 1 1 5  16 0  o 3.517000       0.4725000     282.3138      -90.0  
1 1 1 5  16 1  o 20.80000       0.5603000     1038.751      109.2  
1 1 1 5  16 2  o 1.098000       0.3096000     143.2290      142.2  
1 1 1 5  16 3  o 12.91000       0.5092000     311.1972      92.0   
1 1 1 5  16 4  o 37.51000       0.9294000     1223.236      -87.7  
1 1 1 5  16 5  o 25.85000       0.8855000     759.3455      -151.6 
1 1 1 5  16 6  o 15.32000       0.6952000     413.1749      -144.3 
1 1 1 5  16 7  o 17.67000       0.7522000     751.0003      -59.2  
1 1 1 5  16 8  o 7.518000       0.5721000     496.0248      -170.1 
1 1 1 5  16 9  o 18.30000       1.065000      656.6584      -6.0   
1 1 1 5  16 10 o 19.63000       0.7875000     742.3458      120.1  
1 1 1 5  16 11 o 22.75000       0.7906000     735.2557      -45.8  
1 1 1 5  16 12 o 197.9000       4.270000      2171.453      10.6   
1 1 1 5  16 13 o 38.38000       1.008000      1281.392      1.5    
1 1 1 5  16 14 o 36.58000       0.9025000     961.9254      47.5   
1 1 1 5  16 15 o 39.82000       1.068000      1224.668      79.4   
1 1 1 5  16 16 o 64.95000       1.450000      608.2120      53.0   
1 1 1 5  16 17 o 294.6000       5.873000      2415.047      -52.2  
1 1 1 5  16 18 o 21.00000       0.7543000     680.7205      -167.5 
1 1 1 5  16 19 o 2.762000       0.5979000     272.2782      -14.3  
1 1 1 5  16 20 o 171.1000       3.507000      2176.753      -2.9   
1 1 1 5  16 21 o 76.27000       1.901000      1561.423      170.4  
1 1 1 5  16 22 o 140.7000       2.965000      1689.984      119.9  
1 1 1 5  16 23 o 142.3000       3.295000      1588.953      -112.6 
1 1 1 5  16 24 o 11.21000       1.281000      622.8077      -93.6  
1 1 1 5  16 25 o 115.4000       3.382000      1307.405      78.8   
1 1 1 5  16 26 o 34.99000       1.527000      507.1569      23.7   
1 1 1 5  16 27 o 79.59000       2.638000      1035.353      -20.8  
1 1 1 5  16 28 o 356.4000       8.274000      2675.532      -135.3 
1 1 1 5  16 29 o 14.64000       1.115000      673.1060      -110.6 
1 1 1 5  16 30 o 74.70000       1.940000      1329.376      -83.5  
1 1 1 5  16 31 o 16.35000       1.102000      491.4290      77.5   
1 1 1 5  16 32 o 19.23000       1.126000      661.3208      19.0   
1 1 1 5  16 33 o 29.81000       1.245000      795.6693      123.7  
1 1 1 5  16 34 o 27.00000       1.217000      531.4413      46.1   
1 1 1 5  16 35 o 41.54000       1.398000      930.4489      -2.1   
1 1 1 5  16 36 o 13.63000       1.059000      478.7808      -102.6 
1 1 1 5  16 37 o 10.38000       1.027000      510.4731      -156.6 
1 1 1 5  16 38 o 10.92000       1.027000      429.9573      -52.6  
1 1 1 5  16 39 o 38.32000       1.355000      1039.061      55.3   
1 1 1 5  16 40 o 34.57000       1.312000      691.8915      -47.8  
1 1 1 5  16 41 o 19.57000       1.243000      715.0383      -148.0 
1 1 1 5  16 42 o 10.43000       1.529000      506.5250      80.5   
1 1 1 5  16 43 o 38.38000       2.597000      1030.724      -153.4 
1 1 1 5  16 44 o 40.93000       2.327000      951.7748      171.0  
1 1 1 5  16 45 o 16.40000       1.193000      437.7144      29.1   
1 1 1 5  16 46 o -0.3072000     1.052000      177.6501      -3.0   
1 1 1 5  16 47 o 1.710000       1.071000      151.4603      -33.8  
1 1 1 5  16 48 o 17.36000       1.209000      659.1819      -142.9 
1 1 1 5  16 49 o 52.94000       1.729000      1023.189      -71.8  
1 1 1 5  16 50 o 41.07000       1.567000      920.2815      73.4   
1 1 1 5  16 51 o 4.221000       1.193000      156.4114      120.5  
1 1 1 5  16 52 o 32.79000       1.504000      806.9301      -159.2 
1 1 1 5  16 53 o 5.716000       1.262000      185.6865      -101.7 
1 1 1 5  16 54 o 3.995000       1.282000      284.7686      -92.6  
1 1 1 5  16 55 o 32.76000       1.605000      766.9338      -146.5 
1 1 1 5  16 56 o 12.36000       1.438000      442.6098      -148.1 
1 1 1 5  16 57 o 9.688000       1.462000      345.3859      -147.6 
1 1 1 5  16 58 o 23.93000       3.249000      703.0469      52.4   
1 1 1 5  16 59 o 16.20000       4.142000      661.5406      146.1  
1 1 1 5  16 60 o 7.329000       1.788000      ?             ?      
1 1 1 5  16 61 o 3.591000       1.348000      ?             ?      
1 1 1 5  16 62 o 1.462000       1.346000      ?             ?      
1 1 1 5  16 63 o 10.35000       1.427000      ?             ?      
1 1 1 5  16 64 o 16.89000       1.472000      ?             ?      
1 1 1 5  16 65 o 6.159000       1.364000      ?             ?      
1 1 1 5  16 66 o 1.741000       1.328000      ?             ?      
1 1 1 5  16 67 o 2.685000       1.342000      ?             ?      
1 1 1 5  16 68 o 3.290000       1.373000      ?             ?      
1 1 1 5  16 69 o -1.186000      1.363000      ?             ?      
1 1 1 5  16 70 o 2.513000       1.387000      ?             ?      
1 1 1 5  16 71 o 2.693000       1.409000      ?             ?      
1 1 1 5  16 72 o 4.855000       1.841000      ?             ?      
1 1 1 5  16 73 o -1.322000      2.552000      ?             ?      
1 1 1 5  16 74 o 1.544000       1.700000      ?             ?      
1 1 1 5  17 0  o 4.209000       0.5973000     288.9000      90.0   
1 1 1 5  17 1  o 3.482000       0.3907000     179.4422      176.8  
1 1 1 5  17 2  o 12.48000       0.4995000     498.1342      -148.4 
1 1 1 5  17 3  o 45.43000       1.298000      717.8882      5.0    
1 1 1 5  17 4  o 91.87000       2.186000      1278.480      -18.2  
1 1 1 5  17 5  o 8.995000       0.4320000     402.1990      -111.8 
1 1 1 5  17 6  o 3.457000       0.3882000     579.5956      38.5   
1 1 1 5  17 7  o 29.39000       0.9232000     1067.429      -39.4  
1 1 1 5  17 8  o 8.006000       0.5627000     502.0992      -36.9  
1 1 1 5  17 9  o 13.25000       0.6301000     669.3840      -59.1  
1 1 1 5  17 10 o 33.10000       0.9059000     1011.721      -163.5 
1 1 1 5  17 11 o 20.51000       0.6908000     798.6438      -37.1  
1 1 1 5  17 12 o 32.31000       0.8822000     745.1673      11.0   
1 1 1 5  17 13 o 46.04000       1.103000      836.6422      -21.4  
1 1 1 5  17 14 o 27.55000       0.8196000     644.1158      -170.9 
1 1 1 5  17 15 o 110.5000       2.484000      1055.374      6.6    
1 1 1 5  17 16 o 26.13000       0.8454000     771.1222      -93.6  
1 1 1 5  17 17 o 358.0000       7.102000      2494.857      -91.5  
1 1 1 5  17 18 o 151.8000       3.124000      1878.225      -88.6  
1 1 1 5  17 19 o 65.69000       1.519000      1201.006      -118.0 
1 1 1 5  17 20 o 86.51000       2.089000      1349.945      38.2   
1 1 1 5  17 21 o 60.62000       1.575000      1248.626      112.6  
1 1 1 5  17 22 o 239.8000       4.865000      1759.022      -93.6  
1 1 1 5  17 23 o 3.517000       0.8708000     397.5581      155.1  
1 1 1 5  17 24 o 135.2000       3.380000      1566.096      -132.4 
1 1 1 5  17 25 o 4.294000       1.343000      610.6428      17.9   
1 1 1 5  17 26 o 28.44000       1.672000      684.5232      -108.5 
1 1 1 5  17 27 o 80.74000       2.505000      1258.544      -76.8  
1 1 1 5  17 28 o 38.35000       1.381000      1106.648      -64.3  
1 1 1 5  17 29 o 74.08000       1.924000      1417.729      -46.5  
1 1 1 5  17 30 o 111.8000       2.581000      1780.778      168.0  
1 1 1 5  17 31 o 83.04000       2.056000      1121.060      42.1   
1 1 1 5  17 32 o 1.331000       0.9993000     310.3177      -167.5 
1 1 1 5  17 33 o 39.96000       1.366000      785.3864      90.2   
1 1 1 5  17 34 o 10.10000       1.036000      370.3701      13.4   
1 1 1 5  17 35 o 12.23000       1.043000      666.1420      43.8   
1 1 1 5  17 36 o 7.016000       0.9849000     314.3692      -63.9  
1 1 1 5  17 37 o 14.39000       1.048000      625.8487      132.1  
1 1 1 5  17 38 o 46.88000       1.468000      766.7278      -98.2  
1 1 1 5  17 39 o 7.044000       0.9926000     523.2105      -74.7  
1 1 1 5  17 40 o 6.237000       1.002000      300.0272      -136.8 
1 1 1 5  17 41 o 3.303000       1.006000      313.3796      -15.5  
1 1 1 5  17 42 o 27.14000       1.563000      723.3587      117.5  
1 1 1 5  17 43 o 4.160000       1.767000      317.8812      145.5  
1 1 1 5  17 44 o 4.195000       1.357000      367.9640      20.1   
1 1 1 5  17 45 o 22.19000       1.230000      625.4667      -126.7 
1 1 1 5  17 46 o 12.98000       1.129000      562.7128      112.2  
1 1 1 5  17 47 o 2.334000       1.083000      278.1211      -50.8  
1 1 1 5  17 48 o 8.985000       1.153000      441.3233      37.5   
1 1 1 5  17 49 o 38.05000       1.528000      906.4554      -33.4  
1 1 1 5  17 50 o 11.23000       1.245000      415.4782      152.7  
1 1 1 5  17 51 o 19.74000       1.338000      580.5506      -173.6 
1 1 1 5  17 52 o 26.67000       1.442000      722.3102      24.0   
1 1 1 5  17 53 o 7.821000       1.285000      388.0092      -111.0 
1 1 1 5  17 54 o 2.075000       1.300000      295.5868      -117.5 
1 1 1 5  17 55 o 5.037000       1.357000      283.4764      164.7  
1 1 1 5  17 56 o 9.985000       1.420000      467.7921      -3.9   
1 1 1 5  17 57 o 36.89000       1.772000      905.6274      -166.3 
1 1 1 5  17 58 o 3.210000       1.788000      245.4903      -26.6  
1 1 1 5  17 59 o 3.240000       2.588000      ?             ?      
1 1 1 5  17 60 o 1.788000       1.586000      ?             ?      
1 1 1 5  17 61 o 0.3360000      1.317000      ?             ?      
1 1 1 5  17 62 o 0.8804000      1.325000      ?             ?      
1 1 1 5  17 63 o 5.558000       1.362000      ?             ?      
1 1 1 5  17 64 o -0.3651000     1.322000      ?             ?      
1 1 1 5  17 65 o 3.929000       1.365000      ?             ?      
1 1 1 5  17 66 o 0.3351000      1.337000      ?             ?      
1 1 1 5  17 67 o 2.745000       1.348000      ?             ?      
1 1 1 5  17 68 o 2.952000       1.355000      ?             ?      
1 1 1 5  17 69 o 0.4949000      1.358000      ?             ?      
1 1 1 5  17 70 o 3.434000       1.391000      ?             ?      
1 1 1 5  17 71 o 3.339000       1.590000      ?             ?      
1 1 1 5  17 72 o 0.8911000      1.771000      ?             ?      
1 1 1 5  17 73 o -4.033000      2.020000      ?             ?      
1 1 1 5  17 74 o -1.117000      2.402000      ?             ?      
1 1 1 5  18 0  o 21.60000       1.009000      481.2794      90.0   
1 1 1 5  18 1  o 2.540000       0.5576000     251.4972      57.3   
1 1 1 5  18 2  o 18.46000       0.6950000     596.1467      -58.4  
1 1 1 5  18 3  o 8.669000       0.4772000     371.6812      29.5   
1 1 1 5  18 4  o 3.006000       0.4201000     246.9172      -76.7  
1 1 1 5  18 5  o 1.258000       0.3161000     192.9096      157.4  
1 1 1 5  18 6  o 18.82000       0.6585000     409.2572      -75.4  
1 1 1 5  18 7  o 0.9047000      0.4413000     144.1975      -38.8  
1 1 1 5  18 8  o 11.10000       0.5113000     581.7936      71.6   
1 1 1 5  18 9  o 2.815000       0.5381000     224.7535      -97.0  
1 1 1 5  18 10 f 7.160000       0.6449000     298.7689      -76.2  
1 1 1 5  18 11 o 172.0000       4.083000      1942.100      -59.3  
1 1 1 5  18 12 o 168.5000       3.684000      1583.125      60.3   
1 1 1 5  18 13 o 65.17000       1.549000      998.2861      -2.3   
1 1 1 5  18 14 o 9.276000       0.5012000     439.6542      -29.9  
1 1 1 5  18 15 o 12.79000       0.5894000     259.2333      17.1   
1 1 1 5  18 16 o 4.526000       0.4872000     87.43887      -81.3  
1 1 1 5  18 17 o 52.85000       1.367000      1097.061      -18.9  
1 1 1 5  18 18 o 21.55000       0.8320000     746.1135      128.6  
1 1 1 5  18 19 o 9.935000       0.6474000     676.4408      -40.4  
1 1 1 5  18 20 o 117.0000       2.497000      1266.397      -8.5   
1 1 1 5  18 21 o 12.40000       0.7647000     739.1409      163.6  
1 1 1 5  18 22 f 36.80000       1.128000      834.5053      -94.4  
1 1 1 5  18 23 o 43.82000       1.274000      864.4583      -61.5  
1 1 1 5  18 24 o 39.61000       1.475000      573.2624      -77.3  
1 1 1 5  18 25 o 6.056000       1.792000      263.3731      -52.1  
1 1 1 5  18 26 o 107.1000       4.807000      1195.409      13.2   
1 1 1 5  18 27 o 12.18000       1.335000      359.6559      15.6   
1 1 1 5  18 28 o 62.00000       1.718000      1013.804      -145.7 
1 1 1 5  18 29 o 77.65000       2.126000      1418.928      -20.5  
1 1 1 5  18 30 o 15.04000       1.085000      454.2780      116.6  
1 1 1 5  18 31 o 26.59000       1.190000      811.8977      -142.9 
1 1 1 5  18 32 o 17.83000       1.099000      626.4312      53.7   
1 1 1 5  18 33 o 11.38000       1.041000      445.8524      10.1   
1 1 1 5  18 34 o 25.80000       1.175000      727.5081      87.6   
1 1 1 5  18 35 o 4.974000       0.9707000     452.2648      -63.0  
1 1 1 5  18 36 o 9.792000       0.9937000     489.6957      -123.5 
1 1 1 5  18 37 o 5.553000       0.9680000     222.3369      5.6    
1 1 1 5  18 38 o 7.671000       0.9869000     455.1182      -50.2  
1 1 1 5  18 39 o 11.63000       1.028000      507.5983      50.0   
1 1 1 5  18 40 o 27.89000       1.229000      687.6948      -83.0  
1 1 1 5  18 41 o 19.28000       1.123000      549.8427      -99.3  
1 1 1 5  18 42 o 20.42000       1.465000      631.8537      120.1  
1 1 1 5  18 43 o 31.02000       3.483000      619.4981      -105.4 
1 1 1 5  18 44 o -1.872000      1.651000      251.8423      84.1   
1 1 1 5  18 45 o 8.301000       1.226000      254.9522      95.4   
1 1 1 5  18 46 o 1.916000       1.078000      105.2852      62.5   
1 1 1 5  18 47 o 27.65000       1.332000      818.8269      155.2  
1 1 1 5  18 48 o 11.18000       1.204000      460.3340      90.5   
1 1 1 5  18 49 o 17.31000       1.287000      429.2614      -160.8 
1 1 1 5  18 50 o 8.669000       1.227000      443.7195      110.7  
1 1 1 5  18 51 o 8.811000       1.252000      414.4990      -77.1  
1 1 1 5  18 52 o 6.447000       1.263000      362.1059      -50.6  
1 1 1 5  18 53 o 6.614000       1.305000      241.2375      -129.5 
1 1 1 5  18 54 o 1.893000       1.326000      180.1534      131.0  
1 1 1 5  18 55 o 14.33000       1.441000      506.6747      -68.3  
1 1 1 5  18 56 o 15.98000       1.482000      623.8322      -47.4  
1 1 1 5  18 57 o 6.713000       1.550000      406.0341      66.4   
1 1 1 5  18 58 o 5.836000       1.791000      298.3849      -35.0  
1 1 1 5  18 59 o 5.775000       2.560000      ?             ?      
1 1 1 5  18 60 o -1.248000      1.831000      ?             ?      
1 1 1 5  18 61 o -1.212000      1.541000      ?             ?      
1 1 1 5  18 62 o 1.958000       1.327000      ?             ?      
1 1 1 5  18 63 o 1.787000       1.324000      ?             ?      
1 1 1 5  18 64 o 4.181000       1.347000      ?             ?      
1 1 1 5  18 65 o -0.2524000     1.330000      ?             ?      
1 1 1 5  18 66 o 1.407000       1.339000      ?             ?      
1 1 1 5  18 67 o -1.893000      1.344000      ?             ?      
1 1 1 5  18 68 o 1.853000       1.346000      ?             ?      
1 1 1 5  18 69 o 2.198000       1.364000      ?             ?      
1 1 1 5  18 70 o 3.003000       1.409000      ?             ?      
1 1 1 5  18 71 o 5.114000       1.838000      ?             ?      
1 1 1 5  18 72 o 2.147000       2.274000      ?             ?      
1 1 1 5  18 73 o -3.587000      1.533000      ?             ?      
1 1 1 5  18 74 o 3.435000       3.084000      ?             ?      
1 1 1 5  19 0  o 1.657000       0.7288000     433.4391      90.0   
1 1 1 5  19 1  o 4.929000       0.5522000     403.0270      -110.8 
1 1 1 5  19 2  f 16.20000       0.6339000     544.3570      -60.9  
1 1 1 5  19 3  o 4.230000       0.4111000     115.7649      95.4   
1 1 1 5  19 4  o 0.2791000      0.3766000     129.1832      44.9   
1 1 1 5  19 5  o 4.719000       0.3789000     298.3340      -92.2  
1 1 1 5  19 6  o 32.44000       1.011000      783.8291      -21.5  
1 1 1 5  19 7  o 32.07000       1.442000      713.6035      29.6   
1 1 1 5  19 8  o -0.7264000     0.5075000     286.7936      15.9   
1 1 1 5  19 9  o 31.30000       0.9238000     1025.499      107.8  
1 1 1 5  19 10 o 60.21000       1.470000      928.2330      -114.7 
1 1 1 5  19 11 o 29.63000       1.066000      724.1612      16.8   
1 1 1 5  19 12 o 10.81000       0.6437000     661.3247      -14.6  
1 1 1 5  19 13 o 7.103000       0.4743000     366.1629      -129.6 
1 1 1 5  19 14 o 48.76000       1.189000      768.7702      -165.6 
1 1 1 5  19 15 o 13.98000       0.6170000     512.3978      38.5   
1 1 1 5  19 16 o 7.300000       0.5119000     231.3166      4.8    
1 1 1 5  19 17 o 28.84000       0.9240000     682.9835      -77.6  
1 1 1 5  19 18 o 5.490000       0.5761000     456.5594      -118.7 
1 1 1 5  19 19 o 3.774000       0.6020000     216.1009      146.2  
1 1 1 5  19 20 o 13.04000       0.7367000     310.9992      -2.0   
1 1 1 5  19 21 o 9.065000       0.7493000     438.1297      -31.9  
1 1 1 5  19 22 o 68.28000       1.664000      877.1487      -19.9  
1 1 1 5  19 23 o 18.63000       0.9379000     504.2557      -174.8 
1 1 1 5  19 24 o 8.640000       1.009000      294.4770      62.9   
1 1 1 5  19 25 o 58.48000       2.266000      921.0482      54.1   
1 1 1 5  19 26 o 9.106000       2.140000      355.8044      -136.3 
1 1 1 5  19 27 o 1.967000       1.265000      192.2887      55.9   
1 1 1 5  19 28 o 10.26000       1.191000      414.7138      -26.9  
1 1 1 5  19 29 o 10.31000       1.029000      410.8604      -66.8  
1 1 1 5  19 30 o 12.40000       1.036000      445.8543      105.7  
1 1 1 5  19 31 o 4.264000       0.9800000     336.8993      -105.7 
1 1 1 5  19 32 o 9.363000       1.019000      426.6421      118.6  
1 1 1 5  19 33 o 24.53000       1.163000      674.6862      147.1  
1 1 1 5  19 34 o 2.949000       0.9688000     198.9745      144.1  
1 1 1 5  19 35 o 23.13000       1.246000      514.6343      144.9  
1 1 1 5  19 36 o 3.331000       0.9558000     224.4146      1.2    
1 1 1 5  19 37 o 2.993000       0.9548000     176.4191      2.1    
1 1 1 5  19 38 o 0.2252000E-01  0.9422000     203.7497      -2.0   
1 1 1 5  19 39 o 4.159000       0.9632000     244.3024      103.1  
1 1 1 5  19 40 o 0.6420000      0.9678000     99.70410      116.6  
1 1 1 5  19 41 o 3.088000       1.001000      171.7122      76.0   
1 1 1 5  19 42 o 15.51000       1.318000      474.7646      81.9   
1 1 1 5  19 43 o 4.782000       1.345000      220.6089      -74.9  
1 1 1 5  19 44 o 6.074000       1.484000      285.3178      99.9   
1 1 1 5  19 45 o 14.87000       1.313000      459.1659      -103.5 
1 1 1 5  19 46 o 11.33000       1.179000      495.1570      157.1  
1 1 1 5  19 47 o 11.87000       1.200000      523.8632      -88.1  
1 1 1 5  19 48 o 9.270000       1.211000      418.2823      -58.7  
1 1 1 5  19 49 o 6.359000       1.203000      322.1904      23.8   
1 1 1 5  19 50 o 10.38000       1.270000      362.4622      161.1  
1 1 1 5  19 51 o 0.9134000      1.238000      121.6785      111.5  
1 1 1 5  19 52 o 6.717000       1.293000      290.0284      48.8   
1 1 1 5  19 53 o 13.55000       1.412000      402.1621      -167.6 
1 1 1 5  19 54 o 11.08000       1.403000      386.0143      44.7   
1 1 1 5  19 55 o 0.5066000      1.360000      33.07853      13.7   
1 1 1 5  19 56 o 12.38000       1.454000      458.4836      63.2   
1 1 1 5  19 57 o -1.044000      1.492000      205.9089      119.6  
1 1 1 5  19 58 o 1.445000       1.475000      ?             ?      
1 1 1 5  19 59 o -0.2723000     1.460000      ?             ?      
1 1 1 5  19 60 o 5.389000       1.879000      ?             ?      
1 1 1 5  19 61 o 0.1331000      1.550000      ?             ?      
1 1 1 5  19 62 o 10.74000       1.403000      ?             ?      
1 1 1 5  19 63 o -0.8135000     1.308000      ?             ?      
1 1 1 5  19 64 o 1.030000       1.338000      ?             ?      
1 1 1 5  19 65 o 5.931000       1.378000      ?             ?      
1 1 1 5  19 66 o 2.896000       1.359000      ?             ?      
1 1 1 5  19 67 o 1.758000       1.332000      ?             ?      
1 1 1 5  19 68 o 0.3196000      1.331000      ?             ?      
1 1 1 5  19 69 o -0.5730000     1.354000      ?             ?      
1 1 1 5  19 70 o -0.1831000     1.559000      ?             ?      
1 1 1 5  19 71 o -1.454000      1.860000      ?             ?      
1 1 1 5  19 72 o 0.1088000      2.820000      ?             ?      
1 1 1 5  19 73 o 1.346000       1.568000      ?             ?      
1 1 1 5  20 0  o 8.823000       0.6890000     0.5066374     -90.0  
1 1 1 5  20 1  o 16.14000       0.5813000     491.9386      -59.9  
1 1 1 5  20 2  o 1.659000       0.4752000     198.7476      150.5  
1 1 1 5  20 3  o 23.43000       0.7355000     475.7612      63.2   
1 1 1 5  20 4  o 6.284000       0.4399000     239.4965      -77.0  
1 1 1 5  20 5  o 5.282000       0.4150000     221.7844      -85.4  
1 1 1 5  20 6  o 13.21000       0.6438000     265.4471      -135.7 
1 1 1 5  20 7  o 7.658000       0.6117000     545.2205      90.0   
1 1 1 5  20 8  o 9.928000       0.6761000     388.9006      120.1  
1 1 1 5  20 9  o 29.17000       1.080000      570.1731      -96.3  
1 1 1 5  20 10 o 28.33000       0.9034000     769.7901      -103.4 
1 1 1 5  20 11 o 4.471000       0.5509000     394.7958      33.8   
1 1 1 5  20 12 o 4.202000       0.5637000     201.1347      98.3   
1 1 1 5  20 13 f 39.74000       1.323000      799.4657      -25.0  
1 1 1 5  20 14 o 7.762000       0.5656000     321.6091      -118.0 
1 1 1 5  20 15 o 3.641000       0.4338000     190.7790      -38.7  
1 1 1 5  20 16 o 10.93000       0.5978000     555.2876      106.0  
1 1 1 5  20 17 o 11.99000       0.6160000     228.7576      113.9  
1 1 1 5  20 18 o 25.46000       0.9274000     626.6627      -28.1  
1 1 1 5  20 19 o 7.033000       0.6376000     261.9771      -5.2   
1 1 1 5  20 20 o 11.83000       0.7413000     449.2684      -40.7  
1 1 1 5  20 21 o 1.517000       0.7173000     315.3596      -56.4  
1 1 1 5  20 22 o 18.29000       1.006000      373.0481      25.2   
1 1 1 5  20 23 o 14.94000       0.9294000     404.1513      157.3  
1 1 1 5  20 24 o 4.096000       0.9837000     211.9229      -113.8 
1 1 1 5  20 25 o 2.864000       1.363000      260.6545      -88.2  
1 1 1 5  20 26 o 5.716000       2.125000      176.7682      118.5  
1 1 1 5  20 27 o 2.164000       1.296000      232.2975      -34.0  
1 1 1 5  20 28 o 2.374000       1.133000      343.7422      97.8   
1 1 1 5  20 29 o 20.73000       1.112000      508.3938      103.2  
1 1 1 5  20 30 o 6.899000       0.9871000     285.0984      -13.0  
1 1 1 5  20 31 o 15.37000       1.051000      513.4771      -53.2  
1 1 1 5  20 32 o 6.353000       0.9924000     79.00575      26.8   
1 1 1 5  20 33 o 1.779000       0.9562000     171.0230      88.5   
1 1 1 5  20 34 o 4.710000       0.9593000     316.7815      -11.1  
1 1 1 5  20 35 o 4.920000       0.9649000     107.3399      123.4  
1 1 1 5  20 36 o 7.087000       0.9698000     232.6745      164.8  
1 1 1 5  20 37 o 11.05000       0.9912000     348.3886      109.7  
1 1 1 5  20 38 o 3.291000       0.9478000     261.5039      -127.7 
1 1 1 5  20 39 o 1.454000       0.9509000     133.9666      61.1   
1 1 1 5  20 40 o 11.99000       1.039000      423.5171      -77.4  
1 1 1 5  20 41 o 5.372000       1.119000      345.1505      -150.9 
1 1 1 5  20 42 o 5.257000       1.219000      187.4737      90.4   
1 1 1 5  20 43 o 1.081000       1.298000      157.8272      88.3   
1 1 1 5  20 44 o 5.328000       1.564000      283.3051      109.2  
1 1 1 5  20 45 o 12.09000       1.664000      219.2116      -90.4  
1 1 1 5  20 46 o 20.42000       1.586000      572.3414      30.2   
1 1 1 5  20 47 o 5.238000       1.157000      255.7620      18.0   
1 1 1 5  20 48 o 4.466000       1.170000      144.7293      -149.7 
1 1 1 5  20 49 o 18.98000       1.329000      485.2688      -146.3 
1 1 1 5  20 50 o 2.687000       1.226000      170.8228      161.6  
1 1 1 5  20 51 o 8.837000       1.300000      395.1420      -91.8  
1 1 1 5  20 52 o 2.539000       1.455000      103.1731      100.3  
1 1 1 5  20 53 o 11.00000       1.396000      362.7697      -103.0 
1 1 1 5  20 54 o 1.594000       1.362000      173.7323      -103.2 
1 1 1 5  20 55 o 1.602000       1.366000      169.1712      19.7   
1 1 1 5  20 56 o 2.487000       1.524000      133.4268      -8.8   
1 1 1 5  20 57 f 0.4692000      1.732000      58.96530      81.5   
1 1 1 5  20 58 o 4.368000       1.498000      ?             ?      
1 1 1 5  20 59 o 0.8647000      1.449000      ?             ?      
1 1 1 5  20 60 o 3.347000       1.870000      ?             ?      
1 1 1 5  20 61 o 3.449000       1.804000      ?             ?      
1 1 1 5  20 62 o 0.6512000      1.414000      ?             ?      
1 1 1 5  20 63 o 2.303000       1.327000      ?             ?      
1 1 1 5  20 64 o 0.9663000      1.327000      ?             ?      
1 1 1 5  20 65 o -0.1410000     1.326000      ?             ?      
1 1 1 5  20 66 o 4.935000       1.379000      ?             ?      
1 1 1 5  20 67 o -1.582000      1.325000      ?             ?      
1 1 1 5  20 68 o 1.566000       1.378000      ?             ?      
1 1 1 5  20 69 o 0.4673000      1.379000      ?             ?      
1 1 1 5  20 70 o 3.088000       1.616000      ?             ?      
1 1 1 5  20 71 f -1.453000      1.775000      ?             ?      
1 1 1 5  20 72 o 2.385000       1.818000      ?             ?      
1 1 1 5  20 73 o -0.3423000     2.387000      ?             ?      
1 1 1 5  21 0  o 1.788000       0.6393000     141.8069      90.0   
1 1 1 5  21 1  o 1.750000       0.4490000     220.3933      -109.5 
1 1 1 5  21 2  o 3.909000       0.4667000     175.1468      -20.3  
1 1 1 5  21 3  o 0.3755000      0.4402000     133.5030      86.7   
1 1 1 5  21 4  o 0.7413000      0.4642000     105.3574      101.0  
1 1 1 5  21 5  o 1.763000       0.4398000     84.66168      -84.0  
1 1 1 5  21 6  o -2.069000      0.5970000     118.1886      -96.1  
1 1 1 5  21 7  o 3.614000       0.5300000     170.0139      39.6   
1 1 1 5  21 8  o -0.8215000     0.5563000     144.2354      91.1   
1 1 1 5  21 9  f 0.9084000      0.3865000     147.7480      12.1   
1 1 1 5  21 10 o 2.522000       0.7062000     246.0027      -67.7  
1 1 1 5  21 11 o 1.049000       0.5882000     91.88004      -41.4  
1 1 1 5  21 12 o 2.667000       0.6540000     197.7118      73.1   
1 1 1 5  21 13 o 1.476000       0.5907000     75.50207      81.5   
1 1 1 5  21 14 o 2.416000       0.5367000     208.7191      97.5   
1 1 1 5  21 15 o 2.496000       0.5513000     245.2670      43.9   
1 1 1 5  21 16 o 2.561000       0.5380000     274.1285      142.0  
1 1 1 5  21 17 o 14.74000       0.7465000     344.1443      -171.2 
1 1 1 5  21 18 o 3.850000       0.5932000     211.5079      -121.1 
1 1 1 5  21 19 o 1.868000       0.6269000     72.27081      97.1   
1 1 1 5  21 20 o 18.65000       1.084000      61.44000      128.5  
1 1 1 5  21 21 o 3.884000       0.7450000     299.5843      -12.7  
1 1 1 5  21 22 o 4.190000       0.8913000     158.0023      55.2   
1 1 1 5  21 23 o 4.421000       0.8735000     289.9244      -120.7 
1 1 1 5  21 24 o 6.805000       1.010000      158.3457      -7.9   
1 1 1 5  21 25 o 1.189000       1.199000      122.3808      -159.4 
1 1 1 5  21 26 f -0.6123000     1.149000      194.4544      -13.4  
1 1 1 5  21 27 o 3.667000       1.495000      287.1773      24.2   
1 1 1 5  21 28 o 0.7051000      1.165000      34.61273      91.9   
1 1 1 5  21 29 o 6.175000       1.080000      50.18180      -112.5 
1 1 1 5  21 30 o 4.577000       0.9454000     89.13821      138.3  
1 1 1 5  21 31 o 13.31000       1.021000      421.4017      176.6  
1 1 1 5  21 32 o 0.4818000      0.9426000     42.02075      -6.9   
1 1 1 5  21 33 o 7.431000       0.9711000     265.8879      -100.9 
1 1 1 5  21 34 o 10.38000       0.9888000     440.2635      -87.7  
1 1 1 5  21 35 o 1.762000       0.9312000     220.4049      136.6  
1 1 1 5  21 36 o 5.731000       0.9532000     282.1425      106.4  
1 1 1 5  21 37 o 2.324000       0.9272000     187.8152      -69.6  
1 1 1 5  21 38 f 1.059000       0.9372000     259.1002      95.7   
1 1 1 5  21 39 f 2.988000       0.9680000     268.3575      20.2   
1 1 1 5  21 40 o 2.499000       1.041000      158.1760      144.2  
1 1 1 5  21 41 o 5.480000       1.189000      175.5812      109.2  
1 1 1 5  21 42 o 4.420000       1.146000      164.1069      20.5   
1 1 1 5  21 43 o 4.260000       1.059000      280.4922      153.7  
1 1 1 5  21 44 o 4.224000       1.456000      136.0208      138.7  
1 1 1 5  21 45 o 2.967000       1.492000      134.3740      -56.6  
1 1 1 5  21 46 o 1.726000       1.232000      165.5964      -8.0   
1 1 1 5  21 47 o 2.366000       1.144000      95.76933      7.4    
1 1 1 5  21 48 o 3.231000       1.172000      133.6678      5.9    
1 1 1 5  21 49 o 1.844000       1.204000      296.6052      -45.7  
1 1 1 5  21 50 o 2.088000       1.237000      201.8331      -73.2  
1 1 1 5  21 51 o 0.7596000      1.269000      162.4129      -158.4 
1 1 1 5  21 52 o 6.723000       1.346000      333.9771      82.7   
1 1 1 5  21 53 o 4.841000       1.370000      200.3145      169.7  
1 1 1 5  21 54 o 10.24000       1.423000      281.8683      -2.2   
1 1 1 5  21 55 o 1.767000       1.369000      125.6247      -70.0  
1 1 1 5  21 56 o 7.138000       1.577000      242.6527      115.8  
1 1 1 5  21 57 o 1.662000       1.528000      ?             ?      
1 1 1 5  21 58 o 3.298000       1.355000      ?             ?      
1 1 1 5  21 59 o 5.420000       1.362000      ?             ?      
1 1 1 5  21 60 o 0.6567000      1.436000      ?             ?      
1 1 1 5  21 61 o 0.3206000      1.701000      ?             ?      
1 1 1 5  21 62 o 0.2418000      1.431000      ?             ?      
1 1 1 5  21 63 o 2.206000       1.336000      ?             ?      
1 1 1 5  21 64 o 1.819000       1.314000      ?             ?      
1 1 1 5  21 65 o 1.606000       1.325000      ?             ?      
1 1 1 5  21 66 o 2.883000       1.340000      ?             ?      
1 1 1 5  21 67 o 1.511000       1.346000      ?             ?      
1 1 1 5  21 68 o -0.6464000     1.355000      ?             ?      
1 1 1 5  21 69 o 2.464000       1.759000      ?             ?      
1 1 1 5  21 70 o -0.2043000     2.566000      ?             ?      
1 1 1 5  21 71 o 1.070000       1.990000      ?             ?      
1 1 1 5  21 72 o 3.908000       1.556000      ?             ?      
1 1 1 5  21 73 o 1.076000       1.434000      ?             ?      
1 1 1 5  22 0  o 1.599000       0.6788000     47.89431      90.0   
1 1 1 5  22 1  o 1.108000       0.4792000     134.1285      162.4  
1 1 1 5  22 2  o 1.631000       0.4770000     62.04902      167.5  
1 1 1 5  22 3  o 1.715000       0.4692000     93.07845      89.9   
1 1 1 5  22 4  o 4.443000       0.5168000     413.0048      109.4  
1 1 1 5  22 5  o 4.215000       0.8448000     246.2031      86.1   
1 1 1 5  22 6  o 4.246000       0.5645000     485.2095      80.1   
1 1 1 5  22 7  o -1.611000      0.4784000     96.36604      97.8   
1 1 1 5  22 8  o 11.39000       0.9761000     448.5648      85.8   
1 1 1 5  22 9  o 3.805000       0.7364000     163.8451      48.8   
1 1 1 5  22 10 o 3.413000       1.260000      473.3153      90.5   
1 1 1 5  22 11 o 4.363000       1.077000      465.5423      11.8   
1 1 1 5  22 12 o 8.589000       0.7614000     264.6993      31.7   
1 1 1 5  22 13 o 1.961000       0.6415000     177.2253      106.5  
1 1 1 5  22 14 o 3.476000       0.9003000     433.2574      56.5   
1 1 1 5  22 15 o 8.817000       0.6992000     259.5511      -63.4  
1 1 1 5  22 16 o -0.3797000     0.4933000     109.8902      15.8   
1 1 1 5  22 17 o 4.491000       0.6581000     292.9441      -49.0  
1 1 1 5  22 18 o 19.48000       1.383000      429.3267      137.2  
1 1 1 5  22 19 o 0.3188000      0.6523000     101.1551      -138.1 
1 1 1 5  22 20 o 10.63000       1.031000      137.7407      -73.1  
1 1 1 5  22 21 o 4.804000       0.7625000     388.3259      88.8   
1 1 1 5  22 22 o 9.771000       1.058000      290.7954      107.1  
1 1 1 5  22 23 o 1.207000       0.9185000     242.5476      35.1   
1 1 1 5  22 24 o 0.9474000      1.076000      401.9972      -1.0   
1 1 1 5  22 25 o 2.398000       1.076000      400.0441      -177.7 
1 1 1 5  22 26 o 20.38000       1.341000      260.6475      -164.9 
1 1 1 5  22 27 o 1.500000       1.177000      208.6888      -80.4  
1 1 1 5  22 28 o 9.898000       1.469000      397.8014      30.2   
1 1 1 5  22 29 o 4.872000       1.033000      108.9060      -156.2 
1 1 1 5  22 30 o -0.1770000E-01 1.083000      84.38599      -120.8 
1 1 1 5  22 31 o 2.406000       0.9092000     240.7686      -10.5  
1 1 1 5  22 32 o 8.425000       0.9466000     169.4567      36.5   
1 1 1 5  22 33 o 1.959000       0.9192000     143.1850      -69.5  
1 1 1 5  22 34 o 9.896000       0.9685000     33.01963      -68.1  
1 1 1 5  22 35 o 10.31000       0.9807000     303.6446      -78.4  
1 1 1 5  22 36 o 1.420000       0.9182000     137.1751      -71.3  
1 1 1 5  22 37 o 4.787000       0.9366000     234.7749      148.0  
1 1 1 5  22 38 o 6.335000       0.9796000     131.2809      142.6  
1 1 1 5  22 39 o 11.48000       1.049000      135.1896      99.2   
1 1 1 5  22 40 o 2.211000       1.078000      139.2995      -173.1 
1 1 1 5  22 41 o 5.272000       1.188000      173.1719      134.2  
1 1 1 5  22 42 o 3.962000       1.106000      130.3391      -50.1  
1 1 1 5  22 43 o 4.056000       1.057000      184.7541      38.1   
1 1 1 5  22 44 o 3.322000       1.187000      146.2106      -114.4 
1 1 1 5  22 45 o 4.656000       1.620000      196.8074      30.5   
1 1 1 5  22 46 o 2.151000       1.651000      171.8867      7.8    
1 1 1 5  22 47 o 3.885000       1.286000      249.9166      -109.4 
1 1 1 5  22 48 o 3.165000       1.180000      195.9464      108.8  
1 1 1 5  22 49 o 3.062000       1.221000      200.8783      -85.0  
1 1 1 5  22 50 o 1.403000       1.233000      104.7852      -16.4  
1 1 1 5  22 51 o 9.407000       1.349000      360.4695      -75.7  
1 1 1 5  22 52 o -0.3021000     1.310000      110.7293      147.4  
1 1 1 5  22 53 o 13.97000       1.452000      346.2466      -37.0  
1 1 1 5  22 54 o 10.01000       1.421000      292.8923      116.8  
1 1 1 5  22 55 o 6.496000       1.557000      217.7125      5.7    
1 1 1 5  22 56 o -3.007000      1.775000      93.48500      -136.3 
1 1 1 5  22 57 o 7.573000       1.584000      ?             ?      
1 1 1 5  22 58 o 1.278000       1.364000      ?             ?      
1 1 1 5  22 59 o 4.233000       1.331000      ?             ?      
1 1 1 5  22 60 o 2.898000       1.565000      ?             ?      
1 1 1 5  22 61 o 1.256000       1.795000      ?             ?      
1 1 1 5  22 62 o 1.369000       1.775000      ?             ?      
1 1 1 5  22 63 o 3.795000       1.471000      ?             ?      
1 1 1 5  22 64 o 0.5302000      1.315000      ?             ?      
1 1 1 5  22 65 o 3.762000       1.358000      ?             ?      
1 1 1 5  22 66 o 1.676000       1.335000      ?             ?      
1 1 1 5  22 67 o -0.8102000     1.455000      ?             ?      
1 1 1 5  22 68 o 3.804000       1.779000      ?             ?      
1 1 1 5  22 69 o 0.1922000      2.182000      ?             ?      
1 1 1 5  22 70 o 1.023000       1.764000      ?             ?      
1 1 1 5  22 71 o 0.9926000      1.394000      ?             ?      
1 1 1 5  22 72 o 0.9278000      1.418000      ?             ?      
1 1 1 5  23 0  o 1.195000       0.7232000     53.83510      90.0   
1 1 1 5  23 1  o 2.869000       0.5224000     279.3726      76.3   
1 1 1 5  23 2  o 3.403000       0.5205000     421.5380      104.5  
1 1 1 5  23 3  o 4.637000       0.5186000     372.2574      -142.1 
1 1 1 5  23 4  o -0.3263000E-01 0.4938000     73.60538      -85.7  
1 1 1 5  23 5  o 8.848000       0.6460000     279.1531      107.6  
1 1 1 5  23 6  o -0.7497000     0.4686000     173.0016      -38.6  
1 1 1 5  23 7  o 5.631000       0.5184000     249.9272      148.4  
1 1 1 5  23 8  o 1.516000       0.5435000     207.3671      161.6  
1 1 1 5  23 9  o -0.3481000     0.4750000     178.0757      -6.3   
1 1 1 5  23 10 o 13.01000       0.8799000     338.7336      99.9   
1 1 1 5  23 11 o 0.9166000E-01  0.8066000     318.4176      -159.6 
1 1 1 5  23 12 o 7.917000       1.308000      346.7137      -175.6 
1 1 1 5  23 13 o 4.243000       1.125000      357.5648      133.9  
1 1 1 5  23 14 o 13.74000       1.135000      642.6462      -19.1  
1 1 1 5  23 15 o 0.2556000      0.9223000     343.2895      169.8  
1 1 1 5  23 16 o 13.30000       0.9751000     460.4030      87.3   
1 1 1 5  23 17 o 0.4651000      0.5465000     295.2101      -172.7 
1 1 1 5  23 18 o 40.09000       1.555000      892.5242      1.4    
1 1 1 5  23 19 o 31.59000       1.988000      326.7961      132.8  
1 1 1 5  23 20 o 58.47000       2.239000      755.3999      58.5   
1 1 1 5  23 21 o 6.816000       0.7808000     326.2950      168.2  
1 1 1 5  23 22 o 1.235000       0.8100000     123.3482      -165.3 
1 1 1 5  23 23 o 3.981000       1.246000      84.25002      97.4   
1 1 1 5  23 24 o 43.09000       2.074000      870.9177      -101.3 
1 1 1 5  23 25 o 1.039000       0.9341000     316.3069      164.2  
1 1 1 5  23 26 o 6.591000       1.061000      592.4604      103.7  
1 1 1 5  23 27 o 10.41000       1.162000      390.5068      14.3   
1 1 1 5  23 28 o 0.8719000      1.337000      175.6962      -165.2 
1 1 1 5  23 29 o 2.193000       1.107000      152.4677      101.6  
1 1 1 5  23 30 o 10.98000       1.025000      593.5136      12.8   
1 1 1 5  23 31 o 0.5016000      0.8603000     114.8211      -118.6 
1 1 1 5  23 32 o 7.560000       1.010000      217.5768      -102.5 
1 1 1 5  23 33 o 6.652000       0.9116000     216.9611      76.7   
1 1 1 5  23 34 o 11.51000       1.070000      464.3659      48.7   
1 1 1 5  23 35 o 13.08000       1.006000      402.0076      -77.0  
1 1 1 5  23 36 o 2.011000       0.9238000     232.3188      -12.6  
1 1 1 5  23 37 o 12.54000       1.012000      389.0677      -40.8  
1 1 1 5  23 38 o -0.1571000     0.9498000     71.43591      132.2  
1 1 1 5  23 39 o 8.043000       1.067000      388.7239      51.6   
1 1 1 5  23 40 o 1.312000       1.125000      160.7323      109.3  
1 1 1 5  23 41 o 1.289000       1.108000      147.2510      104.7  
1 1 1 5  23 42 o 4.736000       1.039000      292.1797      -97.4  
1 1 1 5  23 43 o 4.130000       1.059000      229.7918      166.1  
1 1 1 5  23 44 o 0.3599000      1.085000      93.57130      -177.9 
1 1 1 5  23 45 o 2.179000       1.247000      181.5014      -101.1 
1 1 1 5  23 46 o 2.176000       1.582000      359.1629      27.5   
1 1 1 5  23 47 o -0.2613000     1.278000      57.03437      116.4  
1 1 1 5  23 48 o 13.33000       1.289000      418.2640      12.3   
1 1 1 5  23 49 o 18.29000       1.352000      416.2563      101.1  
1 1 1 5  23 50 o 12.79000       1.339000      418.4868      -6.0   
1 1 1 5  23 51 o 15.40000       1.397000      505.1177      -144.6 
1 1 1 5  23 52 o 4.918000       1.331000      104.7397      67.7   
1 1 1 5  23 53 o 5.260000       1.355000      259.2845      -168.1 
1 1 1 5  23 54 o 2.750000       1.432000      194.5590      26.6   
1 1 1 5  23 55 o 0.5768000      1.511000      145.5183      -75.5  
1 1 1 5  23 56 o 1.656000       1.521000      ?             ?      
1 1 1 5  23 57 o 7.473000       1.415000      ?             ?      
1 1 1 5  23 58 o 4.045000       1.371000      ?             ?      
1 1 1 5  23 59 o 3.736000       1.332000      ?             ?      
1 1 1 5  23 60 o 3.820000       1.320000      ?             ?      
1 1 1 5  23 61 o 0.9608000      1.413000      ?             ?      
1 1 1 5  23 62 o 1.489000       1.715000      ?             ?      
1 1 1 5  23 63 o -0.5497000     1.440000      ?             ?      
1 1 1 5  23 64 o 1.708000       1.330000      ?             ?      
1 1 1 5  23 65 o 0.1167000      1.440000      ?             ?      
1 1 1 5  23 66 o -0.6723000     1.704000      ?             ?      
1 1 1 5  23 67 o 1.680000       1.721000      ?             ?      
1 1 1 5  23 68 o -0.6376000     1.719000      ?             ?      
1 1 1 5  23 69 o -1.406000      1.806000      ?             ?      
1 1 1 5  23 70 o 0.5357000      1.558000      ?             ?      
1 1 1 5  23 71 o -0.7244000     1.392000      ?             ?      
1 1 1 5  23 72 o 1.575000       1.430000      ?             ?      
1 1 1 5  24 0  o 77.58000       2.768000      1169.296      -90.0  
1 1 1 5  24 1  o 10.42000       0.6075000     436.1316      105.2  
1 1 1 5  24 2  o 0.1103000      0.5323000     34.59443      158.9  
1 1 1 5  24 3  o 20.11000       0.8005000     517.8437      -156.3 
1 1 1 5  24 4  o 2.111000       0.6317000     79.58527      -161.4 
1 1 1 5  24 5  o 11.13000       1.029000      871.5878      90.4   
1 1 1 5  24 6  o 26.02000       0.9134000     941.6282      152.3  
1 1 1 5  24 7  o 9.961000       0.5577000     395.9859      112.7  
1 1 1 5  24 8  o 21.12000       0.7133000     907.4028      128.8  
1 1 1 5  24 9  o 25.71000       1.121000      684.7143      -6.2   
1 1 1 5  24 10 o 12.93000       0.7636000     383.5150      142.9  
1 1 1 5  24 11 o 28.85000       1.172000      915.6180      -49.1  
1 1 1 5  24 12 o 19.27000       1.026000      356.0536      -23.7  
1 1 1 5  24 13 o 58.70000       1.901000      1196.248      98.6   
1 1 1 5  24 14 o 23.53000       1.203000      608.9277      78.8   
1 1 1 5  24 15 o 25.95000       1.352000      389.8179      -104.4 
1 1 1 5  24 16 o 22.28000       1.418000      582.3977      -163.6 
1 1 1 5  24 17 o 17.29000       0.8540000     447.9389      73.4   
1 1 1 5  24 18 o 13.38000       0.7725000     452.9317      -136.5 
1 1 1 5  24 19 o 11.30000       0.7623000     522.5701      165.8  
1 1 1 5  24 20 o 25.51000       1.205000      809.0140      -37.0  
1 1 1 5  24 21 o 16.00000       0.8672000     652.7953      86.2   
1 1 1 5  24 22 o 25.73000       1.240000      826.8116      117.4  
1 1 1 5  24 23 o 15.29000       1.595000      635.7292      30.8   
1 1 1 5  24 24 o 31.81000       1.479000      841.5328      133.6  
1 1 1 5  24 25 o 122.5000       2.965000      1470.284      -172.5 
1 1 1 5  24 26 o 14.57000       0.9820000     465.2392      60.3   
1 1 1 5  24 27 o 20.13000       1.294000      742.2662      -46.9  
1 1 1 5  24 28 o 4.978000       1.080000      192.1685      -136.6 
1 1 1 5  24 29 o 28.50000       1.546000      647.4789      -108.4 
1 1 1 5  24 30 o -0.2242000     1.024000      94.64364      78.0   
1 1 1 5  24 31 o 19.02000       1.083000      393.7240      -153.4 
1 1 1 5  24 32 o -0.1526000     0.8356000     147.0190      29.6   
1 1 1 5  24 33 o 8.658000       0.9018000     400.5747      -175.4 
1 1 1 5  24 34 o 11.73000       0.9473000     466.4422      24.2   
1 1 1 5  24 35 o 0.8604000      0.9120000     154.3820      93.6   
1 1 1 5  24 36 o 55.07000       1.598000      890.5862      42.2   
1 1 1 5  24 37 o 8.380000       0.9870000     340.0465      -101.3 
1 1 1 5  24 38 o 56.81000       1.656000      889.6996      -161.2 
1 1 1 5  24 39 o 16.89000       1.181000      374.4062      -79.1  
1 1 1 5  24 40 o 9.693000       1.190000      410.4911      89.0   
1 1 1 5  24 41 o 32.96000       1.427000      758.6561      166.1  
1 1 1 5  24 42 o 8.016000       1.060000      363.4968      -81.1  
1 1 1 5  24 43 o 22.00000       1.311000      600.9249      12.7   
1 1 1 5  24 44 o 22.89000       1.284000      720.7568      136.2  
1 1 1 5  24 45 o 13.03000       1.319000      457.4373      91.4   
1 1 1 5  24 46 o 13.19000       1.744000      438.0297      -134.3 
1 1 1 5  24 47 o 0.6424000      1.664000      128.6740      -113.0 
1 1 1 5  24 48 o 5.342000       1.383000      241.2384      -51.7  
1 1 1 5  24 49 o 11.41000       1.306000      494.8997      52.7   
1 1 1 5  24 50 o 17.48000       1.381000      536.0356      -68.7  
1 1 1 5  24 51 o 4.447000       1.317000      233.3227      -152.8 
1 1 1 5  24 52 o 12.64000       1.394000      403.4246      8.1    
1 1 1 5  24 53 o 1.151000       1.324000      153.4050      -55.9  
1 1 1 5  24 54 o 3.248000       1.479000      147.6697      -137.3 
1 1 1 5  24 55 o 4.777000       1.729000      345.5426      -37.5  
1 1 1 5  24 56 o 2.982000       1.515000      ?             ?      
1 1 1 5  24 57 o 21.88000       1.522000      ?             ?      
1 1 1 5  24 58 o 8.296000       1.377000      ?             ?      
1 1 1 5  24 59 o 3.526000       1.319000      ?             ?      
1 1 1 5  24 60 o 1.480000       1.287000      ?             ?      
1 1 1 5  24 61 o -0.5785000     1.407000      ?             ?      
1 1 1 5  24 62 o 0.6060000      1.775000      ?             ?      
1 1 1 5  24 63 o 2.417000       1.822000      ?             ?      
1 1 1 5  24 64 o 4.784000       1.842000      ?             ?      
1 1 1 5  24 65 o -0.4024000     1.684000      ?             ?      
1 1 1 5  24 66 o 2.491000       1.452000      ?             ?      
1 1 1 5  24 67 o 1.273000       1.342000      ?             ?      
1 1 1 5  24 68 o 5.456000       1.560000      ?             ?      
1 1 1 5  24 69 o 0.8201000      1.518000      ?             ?      
1 1 1 5  24 70 o 3.492000       1.390000      ?             ?      
1 1 1 5  24 71 o 1.741000       1.401000      ?             ?      
1 1 1 5  25 0  o 16.03000       1.105000      458.9136      90.0   
1 1 1 5  25 1  o 26.13000       0.8377000     644.8530      -2.7   
1 1 1 5  25 2  o 4.289000       0.5972000     297.5750      -172.6 
1 1 1 5  25 3  o 25.10000       0.9997000     929.8975      -112.7 
1 1 1 5  25 4  o 16.37000       0.8295000     663.5240      166.2  
1 1 1 5  25 5  o 8.858000       0.9400000     454.9209      -33.4  
1 1 1 5  25 6  o 155.9000       3.440000      2180.054      -105.7 
1 1 1 5  25 7  o 4.868000       0.5752000     323.4290      69.3   
1 1 1 5  25 8  o 1.721000       0.5462000     84.77666      -55.4  
1 1 1 5  25 9  o 15.28000       0.7414000     563.5074      -84.3  
1 1 1 5  25 10 o 2.913000       0.8482000     277.0042      92.6   
1 1 1 5  25 11 o 4.466000       0.8664000     315.6281      -69.1  
1 1 1 5  25 12 o 62.66000       1.900000      1329.292      127.0  
1 1 1 5  25 13 o 22.24000       1.197000      467.4770      -48.8  
1 1 1 5  25 14 o 13.69000       1.032000      368.6380      -114.1 
1 1 1 5  25 15 o 28.68000       1.058000      843.4527      99.6   
1 1 1 5  25 16 o 52.80000       1.888000      1133.001      -91.3  
1 1 1 5  25 17 o 6.938000       0.9440000     241.6891      -115.9 
1 1 1 5  25 18 o 9.148000       0.7170000     341.6463      -60.1  
1 1 1 5  25 19 o 59.43000       1.862000      823.1856      134.1  
1 1 1 5  25 20 o 33.58000       1.313000      703.5172      122.1  
1 1 1 5  25 21 o 16.19000       1.164000      501.5010      -166.6 
1 1 1 5  25 22 o 10.08000       0.8912000     494.2856      -116.2 
1 1 1 5  25 23 o 27.49000       1.250000      695.0276      -115.7 
1 1 1 5  25 24 o 22.53000       1.037000      767.0159      -113.2 
1 1 1 5  25 25 o 10.46000       0.8858000     467.1502      113.5  
1 1 1 5  25 26 o -0.1640000E-01 0.8373000     40.29350      -141.3 
1 1 1 5  25 27 o 14.84000       1.031000      641.7490      -42.6  
1 1 1 5  25 28 o 34.59000       1.437000      644.4800      -39.3  
1 1 1 5  25 29 o 1.034000       0.9473000     260.2096      -108.0 
1 1 1 5  25 30 o 24.88000       1.255000      534.5263      -72.7  
1 1 1 5  25 31 o 19.39000       1.064000      614.1220      169.2  
1 1 1 5  25 32 o 5.765000       0.8374000     139.8573      126.0  
1 1 1 5  25 33 o 11.03000       0.9008000     423.5302      40.8   
1 1 1 5  25 34 o 8.175000       0.9111000     241.1132      138.5  
1 1 1 5  25 35 o 31.11000       1.194000      845.9836      59.9   
1 1 1 5  25 36 o 1.621000       0.9198000     101.7521      -19.5  
1 1 1 5  25 37 o 17.45000       1.053000      551.1093      -59.2  
1 1 1 5  25 38 o 52.72000       1.744000      1081.631      59.4   
1 1 1 5  25 39 o 10.23000       1.170000      353.2312      -95.8  
1 1 1 5  25 40 o 20.21000       1.252000      667.1428      -101.3 
1 1 1 5  25 41 o 3.858000       1.014000      355.8030      179.0  
1 1 1 5  25 42 o 9.233000       1.073000      351.5939      -147.9 
1 1 1 5  25 43 o 12.31000       1.133000      510.0362      -140.7 
1 1 1 5  25 44 o 1.519000       1.092000      71.12093      50.1   
1 1 1 5  25 45 o 16.71000       1.231000      452.0087      -8.0   
1 1 1 5  25 46 o 4.606000       1.272000      282.9289      37.9   
1 1 1 5  25 47 o 10.52000       1.681000      301.2285      105.8  
1 1 1 5  25 48 o 8.139000       1.522000      387.2017      82.4   
1 1 1 5  25 49 o 7.970000       1.303000      317.8151      70.2   
1 1 1 5  25 50 o 15.86000       1.389000      461.3854      -48.1  
1 1 1 5  25 51 o 4.086000       1.321000      288.0780      178.9  
1 1 1 5  25 52 o 3.875000       1.321000      208.8948      -44.6  
1 1 1 5  25 53 o 4.633000       1.347000      465.3666      61.8   
1 1 1 5  25 54 o 0.3841000      1.460000      122.2025      70.3   
1 1 1 5  25 55 o 9.019000       1.545000      ?             ?      
1 1 1 5  25 56 o 3.157000       1.335000      ?             ?      
1 1 1 5  25 57 o 8.940000       1.370000      ?             ?      
1 1 1 5  25 58 o 6.099000       1.335000      ?             ?      
1 1 1 5  25 59 o 4.020000       1.302000      ?             ?      
1 1 1 5  25 60 o 1.259000       1.285000      ?             ?      
1 1 1 5  25 61 o 0.4924000E-01  1.427000      ?             ?      
1 1 1 5  25 62 o 1.318000       1.806000      ?             ?      
1 1 1 5  25 63 o -0.6295000     1.673000      ?             ?      
1 1 1 5  25 64 o 3.519000       1.691000      ?             ?      
1 1 1 5  25 65 o 1.213000       1.302000      ?             ?      
1 1 1 5  25 66 o 1.199000       1.316000      ?             ?      
1 1 1 5  25 67 o 3.934000       1.539000      ?             ?      
1 1 1 5  25 68 o -0.6488000E-01 1.754000      ?             ?      
1 1 1 5  25 69 o 1.521000       1.540000      ?             ?      
1 1 1 5  25 70 o 2.926000       1.394000      ?             ?      
1 1 1 5  25 71 o 4.317000       1.435000      ?             ?      
1 1 1 5  26 0  f 18.57000       1.317000      494.8636      -90.0  
1 1 1 5  26 1  o 4.733000       0.6532000     247.0374      28.5   
1 1 1 5  26 2  o 16.82000       0.7971000     766.5557      -34.9  
1 1 1 5  26 3  o 6.907000       0.7403000     592.7034      -107.4 
1 1 1 5  26 4  o 27.35000       1.072000      754.1027      56.8   
1 1 1 5  26 5  o 71.11000       2.063000      1413.190      28.7   
1 1 1 5  26 6  o 23.10000       0.9365000     848.4009      -162.4 
1 1 1 5  26 7  o 146.6000       2.871000      1805.000      -75.2  
1 1 1 5  26 8  o 18.80000       0.8436000     640.4683      89.5   
1 1 1 5  26 9  o 20.84000       0.9992000     818.3274      -97.6  
1 1 1 5  26 10 o 195.3000       4.619000      2114.639      -123.6 
1 1 1 5  26 11 o 0.8690000      0.9131000     100.8288      38.3   
1 1 1 5  26 12 o 60.07000       1.788000      1238.261      35.7   
1 1 1 5  26 13 o 73.65000       2.079000      1274.127      134.7  
1 1 1 5  26 14 o 43.32000       1.547000      951.7327      -4.8   
1 1 1 5  26 15 o 166.4000       3.606000      1747.889      -70.8  
1 1 1 5  26 16 o 28.35000       1.419000      897.5120      149.4  
1 1 1 5  26 17 o 18.97000       1.245000      437.1641      143.3  
1 1 1 5  26 18 o 30.32000       1.415000      813.0240      -109.0 
1 1 1 5  26 19 o 42.07000       1.189000      851.3558      7.0    
1 1 1 5  26 20 o 26.88000       1.031000      731.9552      -73.8  
1 1 1 5  26 21 o 24.72000       1.081000      645.3771      -47.0  
1 1 1 5  26 22 o 7.655000       0.8226000     233.6084      21.1   
1 1 1 5  26 23 o 2.401000       0.7863000     404.1466      39.5   
1 1 1 5  26 24 o 5.742000       0.8055000     305.8239      46.9   
1 1 1 5  26 25 o 14.06000       0.9172000     426.1437      -65.6  
1 1 1 5  26 26 o 41.74000       1.288000      981.7438      3.3    
1 1 1 5  26 27 o 22.99000       1.017000      511.9405      56.9   
1 1 1 5  26 28 o 6.906000       0.9391000     396.1938      59.9   
1 1 1 5  26 29 o 11.40000       1.059000      259.7810      23.6   
1 1 1 5  26 30 o 12.78000       1.314000      492.4769      -139.5 
1 1 1 5  26 31 f 17.78000       1.163000      726.9141      -14.2  
1 1 1 5  26 32 o 16.88000       1.050000      520.1228      33.8   
1 1 1 5  26 33 o 98.31000       2.283000      1216.116      105.7  
1 1 1 5  26 34 o 3.349000       0.8578000     253.4189      -117.6 
1 1 1 5  26 35 o 4.798000       0.8850000     89.14448      -47.2  
1 1 1 5  26 36 o 76.88000       1.955000      1305.023      84.7   
1 1 1 5  26 37 o 17.13000       1.041000      518.2869      -126.4 
1 1 1 5  26 38 o 2.218000       1.011000      262.8707      1.2    
1 1 1 5  26 39 o 16.50000       1.249000      393.2506      -16.7  
1 1 1 5  26 40 o 1.180000       1.029000      218.3312      -36.2  
1 1 1 5  26 41 o 3.719000       0.9994000     420.9024      -116.5 
1 1 1 5  26 42 o 13.27000       1.100000      415.3584      16.3   
1 1 1 5  26 43 o 28.66000       1.316000      581.2200      83.7   
1 1 1 5  26 44 o 14.26000       1.178000      570.8549      100.2  
1 1 1 5  26 45 o 2.359000       1.124000      190.9048      76.2   
1 1 1 5  26 46 o 5.236000       1.278000      306.1497      -131.7 
1 1 1 5  26 47 o 49.26000       2.358000      725.2213      -3.5   
1 1 1 5  26 48 o 4.938000       1.780000      307.3706      145.9  
1 1 1 5  26 49 o 14.35000       1.498000      535.9578      104.1  
1 1 1 5  26 50 o 12.69000       1.364000      694.0849      -112.4 
1 1 1 5  26 51 o 7.551000       1.334000      417.7546      101.5  
1 1 1 5  26 52 o 8.551000       1.357000      310.4396      -21.3  
1 1 1 5  26 53 o 8.675000       1.506000      373.2578      -69.0  
1 1 1 5  26 54 o 19.34000       1.861000      582.3811      -157.5 
1 1 1 5  26 55 o 0.8508000      1.452000      ?             ?      
1 1 1 5  26 56 o 5.588000       1.322000      ?             ?      
1 1 1 5  26 57 o 20.79000       1.475000      ?             ?      
1 1 1 5  26 58 o 6.390000       1.321000      ?             ?      
1 1 1 5  26 59 o 0.4588000      1.393000      ?             ?      
1 1 1 5  26 60 o 3.963000       1.441000      ?             ?      
1 1 1 5  26 61 o 1.556000       1.724000      ?             ?      
1 1 1 5  26 62 o 8.319000       1.496000      ?             ?      
1 1 1 5  26 63 o 5.643000       1.818000      ?             ?      
1 1 1 5  26 64 o 0.3675000      1.789000      ?             ?      
1 1 1 5  26 65 o -0.2242000     1.416000      ?             ?      
1 1 1 5  26 66 o 1.825000       1.306000      ?             ?      
1 1 1 5  26 67 o 4.267000       1.519000      ?             ?      
1 1 1 5  26 68 o 5.777000       1.565000      ?             ?      
1 1 1 5  26 69 o -0.3817000     1.364000      ?             ?      
1 1 1 5  26 70 o 5.391000       1.419000      ?             ?      
1 1 1 5  26 71 o 3.180000       1.867000      ?             ?      
1 1 1 5  27 0  o 10.54000       1.069000      632.1956      90.0   
1 1 1 5  27 1  o 2.336000       0.7481000     331.4071      147.2  
1 1 1 5  27 2  o 173.2000       3.825000      1977.410      -170.1 
1 1 1 5  27 3  o 98.65000       2.717000      1063.444      128.3  
1 1 1 5  27 4  o 11.40000       1.000000      1037.785      -25.6  
1 1 1 5  27 5  o 70.36000       1.743000      1090.422      -82.2  
1 1 1 5  27 6  o 113.8000       2.419000      1521.828      45.3   
1 1 1 5  27 7  o 29.13000       1.191000      962.2332      -168.3 
1 1 1 5  27 8  o 59.78000       1.432000      1227.349      -53.4  
1 1 1 5  27 9  o 23.79000       0.8369000     523.3143      -87.3  
1 1 1 5  27 10 o 115.8000       2.544000      1391.170      -125.9 
1 1 1 5  27 11 o 52.61000       1.712000      1101.082      28.3   
1 1 1 5  27 12 o 83.75000       2.286000      1274.097      69.2   
1 1 1 5  27 13 o 48.01000       1.575000      1088.525      12.4   
1 1 1 5  27 14 o 23.98000       1.348000      787.5554      -106.3 
1 1 1 5  27 15 o 1.654000       1.033000      33.03826      114.3  
1 1 1 5  27 16 o 77.56000       2.255000      1129.521      -112.0 
1 1 1 5  27 17 o 64.25000       1.730000      1159.406      141.2  
1 1 1 5  27 18 o 82.19000       2.317000      1144.546      -129.7 
1 1 1 5  27 19 o 5.101000       0.9408000     123.2519      148.9  
1 1 1 5  27 20 o 25.39000       0.9981000     1016.794      -36.3  
1 1 1 5  27 21 o 23.80000       1.034000      675.1744      -161.5 
1 1 1 5  27 22 o 97.61000       2.712000      1688.616      138.0  
1 1 1 5  27 23 o 111.4000       3.152000      1286.524      -26.0  
1 1 1 5  27 24 o 44.86000       1.479000      705.2066      -26.5  
1 1 1 5  27 25 o 19.73000       1.006000      601.0532      10.4   
1 1 1 5  27 26 o 19.83000       1.203000      850.8173      -50.2  
1 1 1 5  27 27 o 33.28000       1.187000      721.4158      -56.7  
1 1 1 5  27 28 o 9.969000       0.9556000     413.2935      176.8  
1 1 1 5  27 29 o 60.52000       1.885000      898.2933      -163.3 
1 1 1 5  27 30 o 36.64000       1.324000      965.2514      168.6  
1 1 1 5  27 31 o 26.88000       1.215000      819.7657      165.5  
1 1 1 5  27 32 o 2.376000       1.048000      165.5114      29.2   
1 1 1 5  27 33 o 23.66000       1.061000      658.4503      -35.0  
1 1 1 5  27 34 o 23.16000       1.040000      707.7335      -155.1 
1 1 1 5  27 35 f 47.49000       1.433000      850.0284      -120.6 
1 1 1 5  27 36 o 14.45000       0.9882000     584.5889      106.2  
1 1 1 5  27 37 o 1.035000       0.9354000     124.5491      -9.1   
1 1 1 5  27 38 o 33.14000       1.482000      861.5894      48.6   
1 1 1 5  27 39 o 6.441000       1.067000      394.4577      -161.0 
1 1 1 5  27 40 o 0.5853000      0.9525000     221.1176      -15.6  
1 1 1 5  27 41 o 46.42000       1.510000      997.7722      157.9  
1 1 1 5  27 42 o 2.268000       1.044000      197.2913      167.4  
1 1 1 5  27 43 o 10.85000       1.137000      543.1293      -149.2 
1 1 1 5  27 44 o 12.48000       1.195000      430.1865      51.3   
1 1 1 5  27 45 o 4.008000       1.154000      244.6423      92.1   
1 1 1 5  27 46 o 11.88000       1.269000      572.3202      -135.0 
1 1 1 5  27 47 o 0.6936000      1.318000      46.59548      58.2   
1 1 1 5  27 48 o 14.24000       1.775000      505.5313      109.0  
1 1 1 5  27 49 o 20.72000       1.710000      546.4649      -24.0  
1 1 1 5  27 50 o 19.98000       1.573000      664.4319      -160.8 
1 1 1 5  27 51 o 7.110000       1.330000      374.9493      164.1  
1 1 1 5  27 52 o 4.029000       1.325000      167.0208      -9.1   
1 1 1 5  27 53 o -2.466000      1.684000      59.49579      94.5   
1 1 1 5  27 54 o 16.30000       1.576000      ?             ?      
1 1 1 5  27 55 o 6.813000       1.303000      ?             ?      
1 1 1 5  27 56 o 15.86000       1.392000      ?             ?      
1 1 1 5  27 57 o 4.156000       1.460000      ?             ?      
1 1 1 5  27 58 o -0.2234000     1.390000      ?             ?      
1 1 1 5  27 59 o 3.680000       1.682000      ?             ?      
1 1 1 5  27 60 o 2.975000       1.409000      ?             ?      
1 1 1 5  27 61 o 9.620000       1.365000      ?             ?      
1 1 1 5  27 62 o 2.598000       1.300000      ?             ?      
1 1 1 5  27 63 o 5.067000       1.444000      ?             ?      
1 1 1 5  27 64 o 3.490000       1.703000      ?             ?      
1 1 1 5  27 65 o -0.1429000     1.424000      ?             ?      
1 1 1 5  27 66 o 5.873000       1.514000      ?             ?      
1 1 1 5  27 67 o 0.1611000      1.721000      ?             ?      
1 1 1 5  27 68 o 1.713000       1.521000      ?             ?      
1 1 1 5  27 69 o 1.626000       1.375000      ?             ?      
1 1 1 5  27 70 o 1.108000       1.389000      ?             ?      
1 1 1 5  28 0  o 69.25000       2.324000      1423.431      -90.0  
1 1 1 5  28 1  o 23.22000       0.9969000     828.9896      141.4  
1 1 1 5  28 2  o 0.4162000      0.8572000     308.2010      68.4   
1 1 1 5  28 3  o 33.07000       1.274000      774.1042      -133.0 
1 1 1 5  28 4  o 83.42000       2.049000      1313.350      1.0    
1 1 1 5  28 5  o 27.69000       0.9650000     776.6654      -56.3  
1 1 1 5  28 6  o 209.2000       4.244000      2000.272      -96.2  
1 1 1 5  28 7  o 102.9000       2.235000      1656.784      55.0   
1 1 1 5  28 8  o 21.15000       0.9355000     856.3729      -8.8   
1 1 1 5  28 9  o 104.9000       2.154000      1555.955      -120.7 
1 1 1 5  28 10 o 44.29000       1.522000      1063.276      -75.9  
1 1 1 5  28 11 o 13.23000       1.084000      503.9084      -10.5  
1 1 1 5  28 12 o 184.0000       4.443000      1944.381      98.3   
1 1 1 5  28 13 o 30.05000       1.331000      720.3934      -114.5 
1 1 1 5  28 14 f 13.52000       1.226000      141.2819      -147.1 
1 1 1 5  28 15 o 27.73000       1.311000      901.4464      -88.3  
1 1 1 5  28 16 o 152.8000       4.187000      1984.903      -165.1 
1 1 1 5  28 17 o 247.5000       5.178000      1971.598      -30.0  
1 1 1 5  28 18 o 33.85000       1.255000      717.3005      18.7   
1 1 1 5  28 19 o 42.39000       1.316000      1209.521      -25.8  
1 1 1 5  28 20 o 147.4000       3.811000      1792.566      -76.8  
1 1 1 5  28 21 o 34.89000       1.369000      791.5014      19.6   
1 1 1 5  28 22 o 27.79000       1.007000      804.0411      39.5   
1 1 1 5  28 23 o 151.1000       3.209000      1723.369      62.2   
1 1 1 5  28 24 o 36.25000       1.137000      936.6825      38.1   
1 1 1 5  28 25 o 10.07000       0.8010000     404.0434      -56.5  
1 1 1 5  28 26 o 22.72000       0.9990000     594.6066      7.8    
1 1 1 5  28 27 o 27.91000       1.220000      686.5847      -43.1  
1 1 1 5  28 28 o 60.83000       2.216000      1285.141      -94.5  
1 1 1 5  28 29 o 22.19000       1.143000      611.0405      -104.7 
1 1 1 5  28 30 o 22.73000       1.274000      712.5247      -32.2  
1 1 1 5  28 31 o 52.18000       1.791000      1106.020      34.1   
1 1 1 5  28 32 o 12.75000       1.152000      421.2767      27.1   
1 1 1 5  28 33 o 21.90000       1.139000      667.1003      25.4   
1 1 1 5  28 34 o 83.68000       2.040000      1255.690      -21.1  
1 1 1 5  28 35 o 59.63000       1.634000      1122.375      122.2  
1 1 1 5  28 36 o 11.07000       0.9353000     514.7669      82.3   
1 1 1 5  28 37 o 28.56000       1.266000      728.1799      -148.8 
1 1 1 5  28 38 o 6.395000       1.079000      359.4037      -93.5  
1 1 1 5  28 39 o 5.212000       1.009000      426.8171      159.2  
1 1 1 5  28 40 o 46.11000       1.505000      941.7993      -161.7 
1 1 1 5  28 41 o 10.02000       1.180000      400.7302      -58.8  
1 1 1 5  28 42 o 8.061000       1.090000      242.0396      8.7    
1 1 1 5  28 43 o 40.19000       1.507000      712.6405      84.5   
1 1 1 5  28 44 o 52.84000       1.729000      1013.214      2.9    
1 1 1 5  28 45 o 14.78000       1.259000      578.2654      11.5   
1 1 1 5  28 46 o 6.956000       1.234000      387.5706      -115.3 
1 1 1 5  28 47 o 21.09000       1.496000      480.5049      -176.0 
1 1 1 5  28 48 o 7.179000       1.520000      453.5490      128.7  
1 1 1 5  28 49 o 3.215000       1.739000      163.5996      -63.0  
1 1 1 5  28 50 o 2.676000       1.444000      356.1611      2.3    
1 1 1 5  28 51 o 11.65000       1.366000      559.4418      -136.0 
1 1 1 5  28 52 o 5.167000       1.475000      284.9619      39.1   
1 1 1 5  28 53 o 4.762000       1.714000      ?             ?      
1 1 1 5  28 54 o 16.29000       1.568000      ?             ?      
1 1 1 5  28 55 o 2.264000       1.413000      ?             ?      
1 1 1 5  28 56 o 6.538000       1.437000      ?             ?      
1 1 1 5  28 57 o 1.872000       1.696000      ?             ?      
1 1 1 5  28 58 o 1.986000       1.377000      ?             ?      
1 1 1 5  28 59 o 3.241000       1.267000      ?             ?      
1 1 1 5  28 60 o 1.278000       1.265000      ?             ?      
1 1 1 5  28 61 o -0.9792000     1.267000      ?             ?      
1 1 1 5  28 62 o 2.464000       1.280000      ?             ?      
1 1 1 5  28 63 o 7.700000       1.457000      ?             ?      
1 1 1 5  28 64 o 0.2440000      1.764000      ?             ?      
1 1 1 5  28 65 o 1.157000       1.805000      ?             ?      
1 1 1 5  28 66 o 2.769000       1.702000      ?             ?      
1 1 1 5  28 67 o 6.225000       1.555000      ?             ?      
1 1 1 5  28 68 o 1.164000       1.366000      ?             ?      
1 1 1 5  28 69 o 1.308000       1.389000      ?             ?      
1 1 1 5  28 70 o -1.360000      1.820000      ?             ?      
1 1 1 5  29 0  o 63.52000       2.266000      1658.345      -90.0  
1 1 1 5  29 1  o 19.49000       1.076000      580.0644      -13.1  
1 1 1 5  29 2  o 62.77000       1.964000      1368.535      -37.0  
1 1 1 5  29 3  o 77.27000       2.072000      1277.173      70.9   
1 1 1 5  29 4  o 30.09000       1.191000      564.9980      87.2   
1 1 1 5  29 5  o 32.40000       1.042000      744.1682      81.7   
1 1 1 5  29 6  o 7.679000       0.7234000     371.1159      114.9  
1 1 1 5  29 7  o 72.81000       1.634000      1068.659      -58.2  
1 1 1 5  29 8  o 17.55000       0.9126000     238.7070      7.1    
1 1 1 5  29 9  o 15.36000       0.7969000     315.6893      -149.7 
1 1 1 5  29 10 o 14.12000       0.9358000     458.0970      -139.9 
1 1 1 5  29 11 o 27.92000       1.292000      924.1757      67.2   
1 1 1 5  29 12 o 45.30000       1.662000      1134.053      55.1   
1 1 1 5  29 13 o 326.1000       7.906000      2872.920      -118.4 
1 1 1 5  29 14 o 52.87000       1.792000      1432.553      -21.1  
1 1 1 5  29 15 o 68.47000       2.081000      1189.870      -94.4  
1 1 1 5  29 16 o 6.337000       1.071000      390.8285      55.2   
1 1 1 5  29 17 o 34.10000       1.436000      874.7292      8.5    
1 1 1 5  29 18 o 15.92000       1.022000      578.6915      98.7   
1 1 1 5  29 19 o 23.31000       1.303000      837.6117      -67.1  
1 1 1 5  29 20 o 93.35000       3.927000      1587.618      81.1   
1 1 1 5  29 21 o 61.85000       2.727000      1261.787      156.3  
1 1 1 5  29 22 o 27.44000       0.9365000     647.9114      -112.1 
1 1 1 5  29 23 o 40.11000       1.139000      947.0420      -54.9  
1 1 1 5  29 24 o 0.1750000      0.6577000     164.2713      -70.0  
1 1 1 5  29 25 o 14.87000       0.7906000     687.6693      -1.0   
1 1 1 5  29 26 o 60.76000       1.541000      869.2062      -0.6   
1 1 1 5  29 27 o 7.868000       0.7565000     391.7545      -158.3 
1 1 1 5  29 28 o 15.44000       0.9144000     611.4793      78.0   
1 1 1 5  29 29 o 35.31000       1.223000      782.3960      -154.3 
1 1 1 5  29 30 o 60.85000       2.072000      1131.337      155.2  
1 1 1 5  29 31 o 14.84000       1.299000      588.5072      147.5  
1 1 1 5  29 32 o 8.888000       1.318000      431.2193      54.4   
1 1 1 5  29 33 o 4.915000       1.169000      352.2651      116.9  
1 1 1 5  29 34 o 37.28000       1.444000      946.8690      -126.1 
1 1 1 5  29 35 o 9.730000       0.9096000     415.4742      -101.7 
1 1 1 5  29 36 o 16.78000       1.160000      455.0626      9.3    
1 1 1 5  29 37 o 9.869000       1.074000      509.1142      -111.2 
1 1 1 5  29 38 o 31.20000       1.342000      875.4789      -67.5  
1 1 1 5  29 39 o 110.6000       2.596000      ?             ?      
1 1 1 5  29 40 o 4.067000       1.000000      292.4001      77.0   
1 1 1 5  29 41 o 9.639000       1.057000      572.8357      176.8  
1 1 1 5  29 42 o 24.97000       1.264000      693.8552      137.4  
1 1 1 5  29 43 o 28.40000       1.341000      744.6678      105.5  
1 1 1 5  29 44 o 11.36000       1.188000      572.6365      121.7  
1 1 1 5  29 45 o 0.2353000      1.160000      278.5997      -24.8  
1 1 1 5  29 46 o 59.75000       1.874000      1048.141      -121.2 
1 1 1 5  29 47 o 21.29000       1.390000      626.0676      117.2  
1 1 1 5  29 48 o 13.49000       1.456000      517.7390      -173.4 
1 1 1 5  29 49 o 9.446000       1.881000      292.2977      52.9   
1 1 1 5  29 50 o 7.741000       1.624000      430.3275      -103.2 
1 1 1 5  29 51 f 8.242000       1.506000      393.7470      -12.1  
1 1 1 5  29 52 o 5.055000       1.478000      345.9929      1.7    
1 1 1 5  29 53 o 3.502000       1.713000      ?             ?      
1 1 1 5  29 54 o 6.902000       1.470000      ?             ?      
1 1 1 5  29 55 o 11.01000       1.770000      ?             ?      
1 1 1 5  29 56 o 5.995000       1.407000      ?             ?      
1 1 1 5  29 57 o 8.263000       1.287000      ?             ?      
1 1 1 5  29 58 o 4.040000       1.259000      ?             ?      
1 1 1 5  29 59 o 1.226000       1.246000      ?             ?      
1 1 1 5  29 60 o -0.4415000     1.249000      ?             ?      
1 1 1 5  29 61 o 0.9252000      1.269000      ?             ?      
1 1 1 5  29 63 o 5.231000       1.308000      ?             ?      
1 1 1 5  29 64 o -1.282000      1.405000      ?             ?      
1 1 1 5  29 65 o 1.774000       2.316000      ?             ?      
1 1 1 5  29 66 o 1.185000       2.474000      ?             ?      
1 1 1 5  29 67 o 1.295000       2.151000      ?             ?      
1 1 1 5  29 68 o 4.205000       1.373000      ?             ?      
1 1 1 5  29 69 o -0.9267000E-01 1.367000      ?             ?      
1 1 1 5  30 0  o 55.01000       2.821000      922.2618      -90.0  
1 1 1 5  30 1  o 3.022000       0.9835000     277.4695      44.9   
1 1 1 5  30 2  o 115.8000       3.047000      1341.881      124.9  
1 1 1 5  30 3  o 121.3000       3.355000      1412.658      174.0  
1 1 1 5  30 4  o 59.58000       1.670000      1445.438      -22.4  
1 1 1 5  30 5  o 35.74000       1.123000      1072.105      57.8   
1 1 1 5  30 6  o 56.98000       1.430000      1127.922      17.6   
1 1 1 5  30 7  o 6.052000       0.7290000     632.3294      27.2   
1 1 1 5  30 8  o 10.48000       0.8125000     531.8254      -11.1  
1 1 1 5  30 9  o 176.0000       3.621000      1917.172      -81.3  
1 1 1 5  30 10 o 17.81000       0.9552000     598.2302      -38.7  
1 1 1 5  30 11 o 38.54000       1.486000      1184.522      50.2   
1 1 1 5  30 12 o 99.41000       2.630000      1481.557      63.9   
1 1 1 5  30 13 o 73.66000       2.202000      1185.103      174.7  
1 1 1 5  30 14 o 312.9000       7.625000      2479.057      -44.5  
1 1 1 5  30 15 o 13.24000       1.152000      222.9149      150.8  
1 1 1 5  30 16 o 8.401000       1.086000      549.9088      -48.8  
1 1 1 5  30 17 o -0.1394000     1.041000      88.60058      -124.9 
1 1 1 5  30 18 o 27.52000       1.357000      621.4728      12.4   
1 1 1 5  30 19 o 41.02000       1.799000      1127.429      -15.0  
1 1 1 5  30 20 o 4.827000       2.003000      594.6448      -29.1  
1 1 1 5  30 21 o 15.10000       1.163000      527.3749      85.4   
1 1 1 5  30 22 o 7.444000       0.9577000     535.5778      -2.0   
1 1 1 5  30 23 o 10.65000       0.7919000     455.7792      38.1   
1 1 1 5  30 24 o 23.80000       1.117000      820.3523      -76.9  
1 1 1 5  30 25 o 3.009000       0.6617000     362.3467      -66.8  
1 1 1 5  30 26 o 29.71000       1.014000      1017.730      116.9  
1 1 1 5  30 27 o 12.22000       0.7784000     717.1228      -120.3 
1 1 1 5  30 28 o 61.41000       1.560000      954.9350      -65.3  
1 1 1 5  30 29 o 2.030000       0.7546000     187.0666      -69.8  
1 1 1 5  30 30 o 88.00000       2.284000      1285.939      -109.8 
1 1 1 5  30 31 o 3.171000       1.030000      156.1537      -177.1 
1 1 1 5  30 32 o 38.34000       1.521000      1004.304      -68.8  
1 1 1 5  30 33 o 20.24000       1.177000      700.3575      29.7   
1 1 1 5  30 34 o 25.94000       1.751000      800.8621      39.9   
1 1 1 5  30 35 o 1.135000       1.188000      261.5763      40.5   
1 1 1 5  30 36 o 49.37000       1.622000      902.7602      -76.0  
1 1 1 5  30 37 o 7.466000       1.059000      687.5469      -109.9 
1 1 1 5  30 38 o 14.48000       1.080000      627.0101      78.5   
1 1 1 5  30 39 o 45.19000       1.464000      847.4706      126.3  
1 1 1 5  30 40 o 13.29000       1.063000      574.4177      -170.7 
1 1 1 5  30 41 o 17.65000       1.131000      576.2371      -130.9 
1 1 1 5  30 42 o 17.01000       1.169000      627.7604      123.4  
1 1 1 5  30 43 o 11.37000       1.146000      417.6813      -163.4 
1 1 1 5  30 44 o 1.056000       1.123000      258.8060      -19.3  
1 1 1 5  30 45 o 9.079000       1.199000      299.4138      58.0   
1 1 1 5  30 46 o 15.21000       1.348000      569.5987      -129.7 
1 1 1 5  30 47 o 28.86000       1.461000      764.7391      -66.7  
1 1 1 5  30 48 o 1.869000       1.364000      276.5063      -38.1  
1 1 1 5  30 49 o 0.4492000      1.484000      86.68510      -61.0  
1 1 1 5  30 50 o 4.584000       1.782000      242.1694      42.4   
1 1 1 5  30 51 o -0.9884000     1.888000      137.0779      -67.5  
1 1 1 5  30 52 o 29.98000       3.012000      ?             ?      
1 1 1 5  30 53 o 3.848000       2.309000      ?             ?      
1 1 1 5  30 54 o 10.24000       1.460000      ?             ?      
1 1 1 5  30 55 o 18.35000       1.402000      ?             ?      
1 1 1 5  30 56 o 1.704000       1.255000      ?             ?      
1 1 1 5  30 57 o 2.778000       1.249000      ?             ?      
1 1 1 5  30 58 o 2.644000       1.232000      ?             ?      
1 1 1 5  30 59 o 4.900000       1.266000      ?             ?      
1 1 1 5  30 60 o 10.16000       1.315000      ?             ?      
1 1 1 5  30 61 o 1.329000       1.252000      ?             ?      
1 1 1 5  30 62 o 0.8260000      1.269000      ?             ?      
1 1 1 5  30 63 o 1.442000       1.260000      ?             ?      
1 1 1 5  30 64 o -1.712000      1.406000      ?             ?      
1 1 1 5  30 65 o 5.349000       2.585000      ?             ?      
1 1 1 5  30 66 o 4.804000       2.521000      ?             ?      
1 1 1 5  30 67 o 3.013000       1.514000      ?             ?      
1 1 1 5  30 68 o 5.259000       1.380000      ?             ?      
1 1 1 5  31 0  o 531.9000       17.19000      3672.297      -90.0  
1 1 1 5  31 1  o 188.6000       5.012000      1573.464      25.3   
1 1 1 5  31 2  o 40.22000       1.610000      1058.275      62.9   
1 1 1 5  31 3  o 174.2000       3.909000      1792.752      87.6   
1 1 1 5  31 4  o 70.99000       2.068000      1152.029      -149.9 
1 1 1 5  31 5  o 92.60000       2.072000      1207.391      30.7   
1 1 1 5  31 6  o 0.2548000      0.7360000     178.1685      -157.0 
1 1 1 5  31 7  o 13.06000       0.7781000     603.3970      152.1  
1 1 1 5  31 8  o 31.73000       1.016000      676.3843      -141.1 
1 1 1 5  31 9  o 40.25000       1.173000      850.0126      -171.4 
1 1 1 5  31 10 o 33.76000       1.456000      1023.545      70.0   
1 1 1 5  31 11 o 5.304000       0.8347000     928.4628      138.4  
1 1 1 5  31 12 o 8.511000       1.086000      348.5146      -12.4  
1 1 1 5  31 13 o 14.57000       1.138000      580.1285      -0.7   
1 1 1 5  31 14 o 9.131000       1.097000      272.8376      172.5  
1 1 1 5  31 15 o 3.779000       1.033000      190.1115      -115.4 
1 1 1 5  31 16 o 18.04000       1.190000      654.8454      32.2   
1 1 1 5  31 17 o 41.19000       1.559000      970.1948      42.2   
1 1 1 5  31 18 o 28.87000       1.773000      767.2650      -179.0 
1 1 1 5  31 19 o 3.853000       2.698000      477.6170      -137.3 
1 1 1 5  31 20 o 11.59000       1.199000      703.6010      77.2   
1 1 1 5  31 21 o 120.0000       3.174000      1609.429      -80.1  
1 1 1 5  31 22 o 3.396000       0.9085000     327.7911      -111.3 
1 1 1 5  31 23 o 29.36000       1.177000      541.9030      -121.9 
1 1 1 5  31 24 o 3.921000       0.6108000     216.4568      -1.7   
1 1 1 5  31 25 o 10.05000       0.9544000     589.3874      -80.6  
1 1 1 5  31 26 o 13.93000       0.7798000     640.8160      7.9    
1 1 1 5  31 27 o 68.59000       1.685000      1247.823      -137.2 
1 1 1 5  31 28 o 27.71000       1.003000      805.2224      -10.5  
1 1 1 5  31 29 o 3.925000       0.7334000     319.0951      171.9  
1 1 1 5  31 30 o 42.25000       1.265000      816.6058      135.3  
1 1 1 5  31 31 o 58.48000       1.689000      1077.843      -11.2  
1 1 1 5  31 32 o 19.64000       1.146000      692.1516      -148.2 
1 1 1 5  31 33 o 25.95000       1.213000      722.1631      63.2   
1 1 1 5  31 34 o 21.62000       1.291000      669.0259      -37.2  
1 1 1 5  31 35 o 4.785000       1.345000      249.5066      71.2   
1 1 1 5  31 36 o 13.88000       1.188000      626.3484      28.2   
1 1 1 5  31 37 o 46.85000       1.721000      902.0312      -91.8  
1 1 1 5  31 38 o 40.20000       1.443000      990.2066      -85.0  
1 1 1 5  31 39 o 72.54000       2.333000      1366.581      -114.3 
1 1 1 5  31 40 o 25.39000       1.256000      598.6411      -3.0   
1 1 1 5  31 41 o 11.60000       1.128000      537.1050      176.6  
1 1 1 5  31 42 o 19.57000       1.189000      749.8101      -140.0 
1 1 1 5  31 43 o 11.14000       1.151000      496.3567      90.7   
1 1 1 5  31 44 o 13.94000       1.336000      529.0375      -15.2  
1 1 1 5  31 45 o 35.87000       1.500000      859.1109      29.9   
1 1 1 5  31 46 o 26.33000       1.405000      957.9371      148.1  
1 1 1 5  31 47 o 11.63000       1.270000      596.4921      33.1   
1 1 1 5  31 48 o 24.79000       1.577000      695.6262      -24.8  
1 1 1 5  31 49 o 39.72000       2.143000      1009.961      45.6   
1 1 1 5  31 50 o 14.02000       1.957000      471.6027      -11.8  
1 1 1 5  31 51 o 6.499000       2.565000      ?             ?      
1 1 1 5  31 52 o 2.732000       2.334000      ?             ?      
1 1 1 5  31 54 o 23.43000       1.460000      ?             ?      
1 1 1 5  31 55 o 1.419000       1.255000      ?             ?      
1 1 1 5  31 56 o 5.162000       1.262000      ?             ?      
1 1 1 5  31 57 o 6.994000       1.270000      ?             ?      
1 1 1 5  31 58 o 0.2214000      1.211000      ?             ?      
1 1 1 5  31 59 o 14.17000       1.334000      ?             ?      
1 1 1 5  31 60 o 0.8318000      1.237000      ?             ?      
1 1 1 5  31 61 o 0.1393000      1.243000      ?             ?      
1 1 1 5  31 63 o 5.194000       1.297000      ?             ?      
1 1 1 5  31 64 o 0.4516000      1.427000      ?             ?      
1 1 1 5  31 65 o 1.734000       2.002000      ?             ?      
1 1 1 5  31 66 o 5.396000       2.529000      ?             ?      
1 1 1 5  31 67 o 1.532000       1.641000      ?             ?      
1 1 1 5  32 0  o 56.34000       3.035000      911.4600      90.0   
1 1 1 5  32 1  o 55.06000       2.236000      862.0510      97.9   
1 1 1 5  32 2  o 361.9000       8.338000      2430.544      -176.0 
1 1 1 5  32 3  o 135.4000       3.093000      1433.665      -24.0  
1 1 1 5  32 4  o 203.2000       4.154000      2000.792      -22.3  
1 1 1 5  32 5  o 19.14000       1.040000      592.8117      -147.1 
1 1 1 5  32 6  o 17.33000       0.8447000     761.4319      88.1   
1 1 1 5  32 7  o 165.0000       3.412000      1699.424      -1.0   
1 1 1 5  32 8  o 90.32000       2.099000      1317.947      -167.7 
1 1 1 5  32 9  o 8.106000       0.7019000     313.1182      -52.1  
1 1 1 5  32 10 o 33.61000       1.157000      1117.323      -18.4  
1 1 1 5  32 11 o 13.76000       1.065000      531.4172      114.3  
1 1 1 5  32 12 o 28.45000       1.410000      1059.338      -110.1 
1 1 1 5  32 13 o 33.64000       1.403000      1033.010      -143.6 
1 1 1 5  32 14 o 10.54000       1.071000      394.7199      -160.8 
1 1 1 5  32 15 o 6.838000       1.032000      358.8969      129.2  
1 1 1 5  32 16 o 16.17000       1.118000      471.2269      -49.5  
1 1 1 5  32 17 o 31.02000       1.366000      789.6970      -37.9  
1 1 1 5  32 18 o 38.56000       1.976000      885.0164      -23.3  
1 1 1 5  32 19 o 99.58000       3.871000      1779.864      -29.8  
1 1 1 5  32 20 o 3.244000       1.558000      92.68135      -77.1  
1 1 1 5  32 21 o 80.12000       2.100000      1491.257      48.3   
1 1 1 5  32 22 o 72.53000       2.217000      1169.373      -21.6  
1 1 1 5  32 23 o 21.75000       1.234000      692.7591      -101.5 
1 1 1 5  32 24 o 10.83000       0.8904000     522.7515      90.5   
1 1 1 5  32 25 o 18.22000       0.7775000     696.8863      68.7   
1 1 1 5  32 26 o 1.506000       0.6150000     512.6399      12.6   
1 1 1 5  32 27 o 13.59000       0.7861000     439.2655      -29.0  
1 1 1 5  32 28 o 6.487000       0.7274000     332.9897      15.0   
1 1 1 5  32 29 o 3.564000       0.7175000     212.1517      1.7    
1 1 1 5  32 30 o 24.03000       1.023000      648.6588      -171.8 
1 1 1 5  32 31 o 26.32000       1.118000      923.4133      14.0   
1 1 1 5  32 32 o 45.16000       1.596000      882.3663      112.7  
1 1 1 5  32 33 o 17.56000       1.154000      665.9851      55.0   
1 1 1 5  32 34 o 8.394000       1.340000      395.5463      81.1   
1 1 1 5  32 35 o 14.98000       1.451000      787.9304      -18.8  
1 1 1 5  32 36 o 8.621000       1.367000      376.9405      -142.6 
1 1 1 5  32 37 o 19.62000       1.189000      654.5917      55.0   
1 1 1 5  32 38 o 3.189000       1.000000      280.8546      30.2   
1 1 1 5  32 39 o 21.11000       1.214000      614.1891      -127.1 
1 1 1 5  32 40 o 25.63000       1.379000      645.9752      123.0  
1 1 1 5  32 41 o 1.946000       1.096000      176.8947      -4.3   
1 1 1 5  32 42 o 10.32000       1.207000      496.5846      136.1  
1 1 1 5  32 43 o 16.63000       1.259000      657.7123      32.9   
1 1 1 5  32 44 o 10.01000       1.230000      455.1244      136.0  
1 1 1 5  32 45 o 24.10000       1.357000      629.1824      96.4   
1 1 1 5  32 46 o 9.765000       1.358000      423.6772      171.2  
1 1 1 5  32 47 o 4.163000       1.360000      293.2116      94.3   
1 1 1 5  32 48 o 17.29000       1.843000      645.6785      -165.3 
1 1 1 5  32 49 o 1.948000       1.424000      236.5790      132.7  
1 1 1 5  32 50 o 6.991000       1.729000      ?             ?      
1 1 1 5  32 51 o 9.793000       2.272000      ?             ?      
1 1 1 5  32 52 o 15.14000       1.877000      ?             ?      
1 1 1 5  32 53 o 21.98000       1.571000      ?             ?      
1 1 1 5  32 54 o 10.00000       1.288000      ?             ?      
1 1 1 5  32 55 o 26.80000       1.463000      ?             ?      
1 1 1 5  32 57 o 1.320000       1.216000      ?             ?      
1 1 1 5  32 58 o 7.204000       1.261000      ?             ?      
1 1 1 5  32 59 o 7.054000       1.261000      ?             ?      
1 1 1 5  32 60 o 4.565000       1.253000      ?             ?      
1 1 1 5  32 61 o 12.35000       1.329000      ?             ?      
1 1 1 5  32 62 o 1.948000       1.255000      ?             ?      
1 1 1 5  32 63 o 1.080000       1.270000      ?             ?      
1 1 1 5  32 64 o -0.3723000     1.428000      ?             ?      
1 1 1 5  32 65 o 5.880000       1.720000      ?             ?      
1 1 1 5  32 67 o 0.2771000E-01  1.899000      ?             ?      
1 1 1 5  33 0  o 10.12000       1.791000      495.9816      -90.0  
1 1 1 5  33 1  o 182.3000       4.583000      1907.069      89.9   
1 1 1 5  33 2  o 53.89000       1.639000      1134.996      48.6   
1 1 1 5  33 3  o 107.5000       2.362000      1155.958      -96.8  
1 1 1 5  33 4  o 55.13000       1.435000      1093.016      16.5   
1 1 1 5  33 5  o 8.290000       0.7965000     577.3241      116.8  
1 1 1 5  33 6  o 105.0000       2.282000      1439.037      -118.5 
1 1 1 5  33 7  o 28.66000       0.9489000     1011.492      -1.3   
1 1 1 5  33 8  o 31.76000       1.009000      595.7933      19.0   
1 1 1 5  33 9  o 70.13000       1.777000      1185.000      176.9  
1 1 1 5  33 10 o 40.79000       1.258000      731.1966      81.8   
1 1 1 5  33 11 o 31.34000       1.335000      853.0067      82.2   
1 1 1 5  33 12 o 14.65000       1.201000      634.3934      8.5    
1 1 1 5  33 13 o 22.22000       1.308000      650.9744      8.3    
1 1 1 5  33 14 o 150.3000       3.904000      2114.324      -157.6 
1 1 1 5  33 15 o 41.41000       1.617000      847.4512      -18.5  
1 1 1 5  33 16 o 65.62000       2.021000      1038.302      50.9   
1 1 1 5  33 17 o 2.230000       1.308000      262.8566      0.6    
1 1 1 5  33 18 o 60.48000       2.654000      1197.517      62.5   
1 1 1 5  33 19 o 73.82000       3.174000      1415.593      -35.0  
1 1 1 5  33 20 o 19.55000       1.265000      865.5523      46.1   
1 1 1 5  33 21 o 19.48000       1.230000      626.1827      -108.5 
1 1 1 5  33 22 o 31.48000       1.213000      758.2075      -179.5 
1 1 1 5  33 23 o 14.19000       1.164000      649.5350      -120.9 
1 1 1 5  33 24 o 32.52000       1.469000      864.5717      78.6   
1 1 1 5  33 25 o 15.48000       0.9510000     595.6945      49.3   
1 1 1 5  33 26 o 0.2235000      0.7981000     151.6259      -60.3  
1 1 1 5  33 27 o 91.55000       2.262000      1509.324      -139.8 
1 1 1 5  33 28 o 34.32000       1.102000      962.8649      127.5  
1 1 1 5  33 29 o 4.229000       0.7094000     486.9781      145.7  
1 1 1 5  33 30 o 9.325000       0.7743000     459.9878      163.0  
1 1 1 5  33 31 o 83.92000       2.174000      1340.965      -112.2 
1 1 1 5  33 32 o 37.39000       1.313000      1092.602      146.4  
1 1 1 5  33 33 o 8.400000       1.036000      493.9292      -177.3 
1 1 1 5  33 34 o 11.25000       1.097000      590.6767      112.6  
1 1 1 5  33 35 o 5.747000       1.296000      518.3602      26.8   
1 1 1 5  33 36 o -0.2019000E-01 1.373000      152.0968      87.0   
1 1 1 5  33 37 o 10.47000       1.187000      461.3054      -70.9  
1 1 1 5  33 38 o 36.48000       1.351000      817.0063      -161.4 
1 1 1 5  33 39 o 38.33000       1.489000      889.1800      -98.2  
1 1 1 5  33 40 o 44.24000       1.605000      890.7521      27.4   
1 1 1 5  33 41 o 56.35000       1.856000      1143.180      176.7  
1 1 1 5  33 42 o 11.83000       1.203000      518.1921      129.9  
1 1 1 5  33 43 o 24.07000       1.444000      789.3634      9.5    
1 1 1 5  33 44 o 24.04000       1.601000      738.3570      158.4  
1 1 1 5  33 45 o 0.6595000      1.212000      191.9398      -110.0 
1 1 1 5  33 46 o 4.825000       2.144000      448.0963      151.5  
1 1 1 5  33 47 o 24.50000       1.789000      907.8204      -25.1  
1 1 1 5  33 48 o 9.044000       1.399000      512.6450      -9.0   
1 1 1 5  33 49 o 38.73000       1.705000      ?             ?      
1 1 1 5  33 50 o -1.007000      1.498000      ?             ?      
1 1 1 5  33 51 o 8.040000       1.706000      ?             ?      
1 1 1 5  33 52 o 4.536000       1.677000      ?             ?      
1 1 1 5  33 53 o 1.625000       1.446000      ?             ?      
1 1 1 5  33 54 o 5.351000       1.197000      ?             ?      
1 1 1 5  33 55 o 8.061000       1.219000      ?             ?      
1 1 1 5  33 56 o 5.674000       1.222000      ?             ?      
1 1 1 5  33 57 o 2.915000       1.204000      ?             ?      
1 1 1 5  33 58 o 2.712000       1.217000      ?             ?      
1 1 1 5  33 59 o 8.930000       1.274000      ?             ?      
1 1 1 5  33 60 o -0.7559000E-01 1.212000      ?             ?      
1 1 1 5  33 61 o 0.2349000      1.221000      ?             ?      
1 1 1 5  33 62 o 3.989000       1.269000      ?             ?      
1 1 1 5  33 63 o -1.210000      1.583000      ?             ?      
1 1 1 5  33 64 o 4.412000       1.647000      ?             ?      
1 1 1 5  33 65 o 5.810000       1.505000      ?             ?      
1 1 1 5  33 66 o 0.6735000      1.483000      ?             ?      
1 1 1 5  33 67 o 1.199000       1.915000      ?             ?      
1 1 1 5  34 0  o 10.17000       1.756000      520.4893      -90.0  
1 1 1 5  34 1  o -0.3399000     1.111000      248.6834      95.3   
1 1 1 5  34 2  o 22.31000       1.087000      702.9531      -84.8  
1 1 1 5  34 3  o 43.62000       1.244000      877.5204      100.4  
1 1 1 5  34 4  o 19.91000       0.9036000     787.0175      -26.4  
1 1 1 5  34 5  o 132.9000       2.810000      1345.236      107.4  
1 1 1 5  34 6  o 1.595000       0.7198000     385.6864      48.6   
1 1 1 5  34 7  o 25.55000       0.9433000     837.1191      -115.8 
1 1 1 5  34 8  o 1.921000       0.6685000     215.9107      -129.9 
1 1 1 5  34 9  o -0.1378000E-01 0.7482000     300.2328      86.3   
1 1 1 5  34 10 o 64.24000       1.669000      1196.706      -61.0  
1 1 1 5  34 11 o 25.25000       1.208000      774.2743      -57.1  
1 1 1 5  34 12 o 14.55000       1.190000      882.8497      137.4  
1 1 1 5  34 13 o 4.359000       1.001000      229.8481      163.2  
1 1 1 5  34 14 o 5.073000       1.019000      575.5334      -167.4 
1 1 1 5  34 15 o 50.60000       1.706000      1296.498      -4.5   
1 1 1 5  34 16 o 51.53000       1.842000      1116.302      126.8  
1 1 1 5  34 17 o 7.798000       1.429000      397.4658      134.4  
1 1 1 5  34 18 o 37.36000       2.115000      1007.893      27.3   
1 1 1 5  34 19 o 75.91000       3.074000      1422.917      -14.1  
1 1 1 5  34 20 o 10.78000       1.091000      532.9236      57.5   
1 1 1 5  34 21 o 12.68000       1.103000      608.5743      12.8   
1 1 1 5  34 22 o 58.17000       1.894000      796.8046      -49.2  
1 1 1 5  34 23 o 43.81000       1.536000      998.6124      129.9  
1 1 1 5  34 24 o 80.93000       2.430000      1231.981      67.6   
1 1 1 5  34 25 o 15.40000       0.9675000     685.5015      13.6   
1 1 1 5  34 26 o 17.59000       1.203000      581.0118      -79.2  
1 1 1 5  34 27 o -0.5071000     0.5975000     135.2382      82.5   
1 1 1 5  34 28 o 10.15000       0.7183000     495.0556      -69.9  
1 1 1 5  34 29 o 38.31000       1.246000      862.1420      -31.0  
1 1 1 5  34 30 o 8.838000       0.7758000     254.6928      -28.9  
1 1 1 5  34 31 o 8.574000       0.7971000     495.8547      -74.3  
1 1 1 5  34 32 o 10.89000       0.8450000     395.7732      33.4   
1 1 1 5  34 33 o 2.098000       0.8514000     304.7574      55.2   
1 1 1 5  34 34 o 9.791000       1.187000      530.2917      -70.1  
1 1 1 5  34 35 o 16.05000       1.420000      505.9151      -92.2  
1 1 1 5  34 36 o 8.358000       1.117000      548.4645      67.0   
1 1 1 5  34 37 o 28.93000       1.522000      862.6475      -49.3  
1 1 1 5  34 38 o 9.220000       1.229000      515.8127      165.0  
1 1 1 5  34 39 o 32.34000       1.345000      904.9460      -80.2  
1 1 1 5  34 40 o 9.436000       1.115000      559.5620      127.9  
1 1 1 5  34 41 o 2.350000       1.082000      239.7746      2.5    
1 1 1 5  34 42 o -0.4213000     1.214000      93.56560      -20.7  
1 1 1 5  34 43 o 13.53000       1.458000      573.7665      168.6  
1 1 1 5  34 44 o 0.1590000      2.214000      111.7532      117.4  
1 1 1 5  34 45 o 0.7523000      1.381000      152.1997      176.1  
1 1 1 5  34 46 o 6.628000       1.446000      383.8602      90.5   
1 1 1 5  34 47 o 8.733000       1.284000      270.1262      147.7  
1 1 1 5  34 48 o 30.02000       1.534000      ?             ?      
1 1 1 5  34 49 o 15.26000       1.396000      ?             ?      
1 1 1 5  34 50 o 3.503000       1.368000      ?             ?      
1 1 1 5  34 51 o 2.095000       1.404000      ?             ?      
1 1 1 5  34 52 o 2.311000       1.720000      ?             ?      
1 1 1 5  34 53 o 4.496000       1.721000      ?             ?      
1 1 1 5  34 54 o 9.764000       1.337000      ?             ?      
1 1 1 5  34 55 o -0.8533000     1.148000      ?             ?      
1 1 1 5  34 56 o 1.590000       1.158000      ?             ?      
1 1 1 5  34 57 o 5.747000       1.194000      ?             ?      
1 1 1 5  34 58 o 3.410000       1.184000      ?             ?      
1 1 1 5  34 59 o 4.849000       1.206000      ?             ?      
1 1 1 5  34 60 o 2.330000       1.206000      ?             ?      
1 1 1 5  34 61 o 10.20000       1.293000      ?             ?      
1 1 1 5  34 62 o 1.389000       1.248000      ?             ?      
1 1 1 5  34 64 o 0.8250000      1.437000      ?             ?      
1 1 1 5  34 65 o 2.619000       1.337000      ?             ?      
1 1 1 5  34 66 o -1.245000      1.334000      ?             ?      
1 1 1 5  35 0  o 12.78000       1.747000      400.5807      -90.0  
1 1 1 5  35 1  o 2.253000       1.087000      346.2432      -78.6  
1 1 1 5  35 2  o 19.65000       1.047000      687.6067      169.4  
1 1 1 5  35 3  o 25.10000       0.9573000     656.8306      22.3   
1 1 1 5  35 4  o 21.72000       0.9521000     411.7804      163.2  
1 1 1 5  35 5  o 6.772000       0.7451000     487.6680      -153.0 
1 1 1 5  35 6  o 57.22000       1.423000      1049.658      -25.4  
1 1 1 5  35 7  o 65.58000       1.559000      1096.043      65.4   
1 1 1 5  35 8  o 11.52000       0.7310000     332.0051      13.0   
1 1 1 5  35 9  o 3.060000       0.6421000     394.4563      166.3  
1 1 1 5  35 10 o 17.71000       0.8902000     643.5153      -170.0 
1 1 1 5  35 11 o 13.95000       1.030000      610.2613      6.5    
1 1 1 5  35 12 o 7.781000       1.040000      445.8410      6.9    
1 1 1 5  35 13 o 82.80000       2.499000      1388.569      171.7  
1 1 1 5  35 14 o 4.053000       1.057000      394.8218      113.7  
1 1 1 5  35 15 o 16.41000       1.115000      721.7974      3.2    
1 1 1 5  35 16 o 38.34000       1.913000      792.5712      96.9   
1 1 1 5  35 17 o 16.13000       1.547000      393.9540      -146.5 
1 1 1 5  35 18 o 34.03000       2.022000      888.2239      63.1   
1 1 1 5  35 19 o 6.517000       1.478000      465.9904      5.4    
1 1 1 5  35 20 o 36.44000       1.459000      792.9942      96.5   
1 1 1 5  35 21 o 3.598000       1.006000      169.0457      137.0  
1 1 1 5  35 22 o 1.801000       1.013000      20.84022      10.7   
1 1 1 5  35 23 o 23.68000       1.300000      821.9819      115.8  
1 1 1 5  35 24 o 21.09000       1.245000      633.6542      136.1  
1 1 1 5  35 25 o 2.844000       1.077000      234.4718      -137.2 
1 1 1 5  35 26 o 34.94000       1.250000      1043.246      -147.0 
1 1 1 5  35 27 o 12.87000       0.9725000     465.4970      116.3  
1 1 1 5  35 28 o 10.35000       0.7217000     497.4669      117.9  
1 1 1 5  35 29 o 1.591000       0.5993000     106.1650      -164.2 
1 1 1 5  35 30 o 1.568000       0.6451000     130.1400      -71.9  
1 1 1 5  35 31 o 11.72000       0.8032000     493.6000      -122.7 
1 1 1 5  35 32 o 32.70000       1.195000      772.5278      124.8  
1 1 1 5  35 33 o 17.69000       1.026000      741.0171      88.6   
1 1 1 5  35 34 o 11.59000       1.186000      567.4145      32.1   
1 1 1 5  35 35 o 25.04000       1.510000      601.2477      78.8   
1 1 1 5  35 36 o 6.001000       1.174000      349.8412      176.9  
1 1 1 5  35 37 o 6.222000       1.097000      330.4632      -153.7 
1 1 1 5  35 38 o 14.52000       1.385000      592.4404      -60.3  
1 1 1 5  35 39 o 24.78000       1.439000      729.0261      -117.8 
1 1 1 5  35 40 o 4.316000       1.278000      359.5757      40.4   
1 1 1 5  35 41 o 34.52000       1.580000      908.2079      -122.4 
1 1 1 5  35 42 o 8.333000       1.591000      367.8689      -94.6  
1 1 1 5  35 43 o 6.761000       1.247000      313.8248      149.4  
1 1 1 5  35 44 o 6.772000       1.261000      372.0484      -148.5 
1 1 1 5  35 45 o 10.72000       1.180000      424.1348      -49.9  
1 1 1 5  35 46 o 8.564000       1.225000      423.0995      -178.9 
1 1 1 5  35 47 f 12.38000       1.275000      510.0570      -46.6  
1 1 1 5  35 48 o 5.080000       1.285000      ?             ?      
1 1 1 5  35 49 o 9.927000       1.455000      ?             ?      
1 1 1 5  35 50 o 13.55000       1.417000      ?             ?      
1 1 1 5  35 51 o 1.307000       1.396000      ?             ?      
1 1 1 5  35 52 o 0.5304000      1.489000      ?             ?      
1 1 1 5  35 53 o -0.2137000     2.097000      ?             ?      
1 1 1 5  35 54 o 7.314000       1.588000      ?             ?      
1 1 1 5  35 55 o 1.540000       1.284000      ?             ?      
1 1 1 5  35 56 o 3.581000       1.159000      ?             ?      
1 1 1 5  35 57 o 3.239000       1.159000      ?             ?      
1 1 1 5  35 58 o 3.028000       1.175000      ?             ?      
1 1 1 5  35 59 o 1.471000       1.165000      ?             ?      
1 1 1 5  35 60 o 0.1498000      1.181000      ?             ?      
1 1 1 5  35 61 o 0.9222000      1.224000      ?             ?      
1 1 1 5  35 62 o 4.390000       1.895000      ?             ?      
1 1 1 5  35 63 o -1.189000      1.572000      ?             ?      
1 1 1 5  35 64 o 5.772000       1.474000      ?             ?      
1 1 1 5  35 65 o 4.001000       1.331000      ?             ?      
1 1 1 5  36 0  o 0.1569000      1.390000      93.55180      90.0   
1 1 1 5  36 1  o 16.57000       1.236000      691.9732      71.2   
1 1 1 5  36 2  o 3.643000       0.9033000     300.8461      130.9  
1 1 1 5  36 3  o 19.83000       0.9554000     795.9937      -89.7  
1 1 1 5  36 4  o 14.68000       0.8126000     572.0114      17.6   
1 1 1 5  36 5  o 9.131000       0.7475000     270.8207      127.6  
1 1 1 5  36 6  o 30.21000       0.9882000     667.9346      137.8  
1 1 1 5  36 7  o 6.634000       0.6912000     477.5461      -35.0  
1 1 1 5  36 8  o 90.22000       2.002000      1078.841      -79.6  
1 1 1 5  36 9  o 11.84000       0.7100000     594.9504      23.9   
1 1 1 5  36 10 o 26.78000       1.004000      768.4381      -31.0  
1 1 1 5  36 11 o 1.337000       0.7513000     318.0723      127.0  
1 1 1 5  36 12 o 14.17000       1.097000      612.0433      -154.4 
1 1 1 5  36 13 o 2.302000       0.9840000     475.0347      -115.4 
1 1 1 5  36 14 o 9.905000       1.023000      286.0173      152.6  
1 1 1 5  36 15 o 2.750000       1.001000      240.4373      -172.4 
1 1 1 5  36 16 o 8.494000       1.378000      471.1005      -107.2 
1 1 1 5  36 17 o 1.399000       1.384000      92.85444      -161.0 
1 1 1 5  36 18 o 13.80000       1.510000      490.9115      20.8   
1 1 1 5  36 19 o 6.995000       1.045000      472.7463      -142.2 
1 1 1 5  36 20 o 35.88000       1.489000      862.2231      154.7  
1 1 1 5  36 21 o 1.483000       1.025000      271.6686      77.2   
1 1 1 5  36 22 o -0.7484000E-01 1.012000      129.8024      123.5  
1 1 1 5  36 23 o 19.42000       1.220000      507.3362      -21.7  
1 1 1 5  36 24 o 84.06000       2.478000      1280.601      -82.0  
1 1 1 5  36 25 o 13.16000       1.166000      560.9816      -16.0  
1 1 1 5  36 26 o 6.837000       0.8621000     361.1693      -120.3 
1 1 1 5  36 27 o 8.277000       0.8425000     419.0223      -88.7  
1 1 1 5  36 28 o 11.90000       0.9754000     472.9294      -130.7 
1 1 1 5  36 29 o 5.550000       0.6289000     508.6269      15.5   
1 1 1 5  36 30 o 3.012000       0.6038000     182.1615      -63.2  
1 1 1 5  36 31 o 4.273000       0.6503000     281.0017      -90.2  
1 1 1 5  36 32 o 3.548000       0.9106000     266.7333      133.4  
1 1 1 5  36 33 o 6.569000       0.8805000     357.4509      146.8  
1 1 1 5  36 34 o 58.59000       2.112000      1086.660      -141.2 
1 1 1 5  36 35 o 52.09000       1.857000      861.0769      6.2    
1 1 1 5  36 36 o 1.186000       1.129000      267.9332      80.8   
1 1 1 5  36 37 o 22.52000       1.446000      736.1061      -38.8  
1 1 1 5  36 38 o -0.1011000     1.294000      89.67139      -71.9  
1 1 1 5  36 39 o 15.37000       1.752000      498.6769      -94.1  
1 1 1 5  36 40 o 15.49000       1.347000      604.1818      7.1    
1 1 1 5  36 41 o 39.82000       1.677000      960.2704      -0.2   
1 1 1 5  36 42 o 8.108000       1.171000      489.3769      -175.0 
1 1 1 5  36 43 o 1.163000       1.128000      274.2044      -136.0 
1 1 1 5  36 44 o 8.838000       1.172000      412.8871      7.4    
1 1 1 5  36 45 o 3.658000       1.132000      218.7573      2.2    
1 1 1 5  36 46 o -0.2904000E-01 1.119000      136.7379      -167.2 
1 1 1 5  36 47 o 1.998000       1.121000      ?             ?      
1 1 1 5  36 48 o 9.386000       1.296000      ?             ?      
1 1 1 5  36 49 o 3.920000       1.322000      ?             ?      
1 1 1 5  36 50 o 3.275000       1.251000      ?             ?      
1 1 1 5  36 51 o 5.182000       1.241000      ?             ?      
1 1 1 5  36 52 o -0.1912000E-01 1.358000      ?             ?      
1 1 1 5  36 53 o -0.4367000     1.601000      ?             ?      
1 1 1 5  36 54 o 0.5039000      1.671000      ?             ?      
1 1 1 5  36 55 o 0.7301000      1.644000      ?             ?      
1 1 1 5  36 56 o 1.349000       1.221000      ?             ?      
1 1 1 5  36 57 o 2.102000       1.219000      ?             ?      
1 1 1 5  36 58 o 5.421000       1.201000      ?             ?      
1 1 1 5  36 59 o -0.9312000     1.173000      ?             ?      
1 1 1 5  36 60 o -0.6396000     1.177000      ?             ?      
1 1 1 5  36 61 o -0.3792000     1.205000      ?             ?      
1 1 1 5  36 62 o 1.286000       1.345000      ?             ?      
1 1 1 5  36 63 o 6.322000       1.423000      ?             ?      
1 1 1 5  36 64 o -2.099000      1.256000      ?             ?      
1 1 1 5  36 65 o 2.409000       1.803000      ?             ?      
1 1 1 5  37 0  o 21.25000       1.760000      610.7192      90.0   
1 1 1 5  37 1  o 7.970000       1.289000      366.6950      40.2   
1 1 1 5  37 2  o 17.81000       1.030000      654.4339      88.0   
1 1 1 5  37 3  o 23.89000       1.088000      514.6028      -12.6  
1 1 1 5  37 4  o 8.461000       0.7638000     454.4427      59.1   
1 1 1 5  37 5  o 0.4577000      0.7096000     345.3325      87.7   
1 1 1 5  37 6  o 6.710000       0.7283000     271.0069      57.1   
1 1 1 5  37 7  f 65.04000       1.558000      1127.873      -38.7  
1 1 1 5  37 8  o 32.15000       1.014000      796.2605      137.3  
1 1 1 5  37 9  o 12.73000       0.7228000     765.7453      -105.5 
1 1 1 5  37 10 o 2.609000       0.7498000     435.8144      59.3   
1 1 1 5  37 11 o 26.94000       1.231000      857.3770      -0.3   
1 1 1 5  37 12 o 4.722000       1.023000      267.5673      95.3   
1 1 1 5  37 13 o 16.51000       1.133000      531.2335      173.8  
1 1 1 5  37 14 o 32.19000       1.447000      768.8601      -22.6  
1 1 1 5  37 15 o 8.917000       1.364000      357.6385      29.9   
1 1 1 5  37 16 o 0.3503000      1.322000      120.3612      -113.2 
1 1 1 5  37 17 o 3.451000       1.398000      231.8542      -20.3  
1 1 1 5  37 18 o 33.56000       1.923000      769.0400      -66.2  
1 1 1 5  37 19 o 12.47000       1.122000      423.8770      108.5  
1 1 1 5  37 20 o 24.49000       1.328000      692.7333      -16.9  
1 1 1 5  37 21 o 34.52000       1.468000      719.2798      -68.0  
1 1 1 5  37 22 o 11.85000       1.124000      445.1456      50.6   
1 1 1 5  37 23 o 1.886000       1.032000      160.2345      12.3   
1 1 1 5  37 24 o 8.791000       1.102000      464.1599      -138.9 
1 1 1 5  37 25 o 1.550000       1.070000      251.3328      56.2   
1 1 1 5  37 26 o 0.1845000      0.7911000     93.93560      -36.8  
1 1 1 5  37 27 o 14.77000       1.240000      357.2173      -1.3   
1 1 1 5  37 28 o 6.814000       0.8455000     294.7767      139.6  
1 1 1 5  37 29 o 9.691000       0.9618000     309.4201      -17.7  
1 1 1 5  37 30 o 3.778000       0.8108000     152.1397      23.8   
1 1 1 5  37 31 o 28.31000       1.077000      801.2680      -169.4 
1 1 1 5  37 32 o 1.801000       0.6875000     153.4933      -10.3  
1 1 1 5  37 33 o 3.122000       0.8903000     367.7752      62.4   
1 1 1 5  37 34 o 2.406000       0.8854000     236.9088      -22.1  
1 1 1 5  37 35 o 3.433000       1.441000      241.7027      167.2  
1 1 1 5  37 36 o 28.26000       1.443000      640.3221      56.3   
1 1 1 5  37 37 o 16.06000       1.605000      557.4156      -103.1 
1 1 1 5  37 38 o -1.033000      1.118000      61.99446      -28.1  
1 1 1 5  37 39 o 21.92000       1.854000      665.3732      135.8  
1 1 1 5  37 40 o 1.935000       1.273000      142.8535      -139.7 
1 1 1 5  37 41 o 0.4320000      1.118000      182.4947      137.7  
1 1 1 5  37 42 o 2.391000       1.143000      252.7287      161.7  
1 1 1 5  37 43 o 3.246000       1.136000      280.5754      -168.6 
1 1 1 5  37 44 o 0.8811000      1.130000      121.5240      173.2  
1 1 1 5  37 45 o 4.533000       1.128000      ?             ?      
1 1 1 5  37 46 o 0.5829000      1.110000      ?             ?      
1 1 1 5  37 47 o 3.206000       1.169000      ?             ?      
1 1 1 5  37 48 o 6.289000       1.365000      ?             ?      
1 1 1 5  37 49 o 4.459000       1.234000      ?             ?      
1 1 1 5  37 50 o 15.77000       1.229000      ?             ?      
1 1 1 5  37 51 o 3.022000       1.113000      ?             ?      
1 1 1 5  37 52 o 1.011000       1.145000      ?             ?      
1 1 1 5  37 53 o 8.292000       1.358000      ?             ?      
1 1 1 5  37 54 o 13.22000       1.651000      ?             ?      
1 1 1 5  37 55 o 0.1662000      1.533000      ?             ?      
1 1 1 5  37 56 o -1.056000      1.532000      ?             ?      
1 1 1 5  37 57 o 1.086000       1.207000      ?             ?      
1 1 1 5  37 58 o 3.593000       1.317000      ?             ?      
1 1 1 5  37 59 o -0.4719000     1.240000      ?             ?      
1 1 1 5  37 60 o 0.1131000      1.258000      ?             ?      
1 1 1 5  37 61 o 0.7894000      1.319000      ?             ?      
1 1 1 5  37 62 o 3.316000       1.557000      ?             ?      
1 1 1 5  37 63 o 1.395000       1.388000      ?             ?      
1 1 1 5  37 64 o 3.676000       1.425000      ?             ?      
1 1 1 5  38 0  o 11.51000       1.340000      479.5456      90.0   
1 1 1 5  38 1  o -0.9342000     0.7973000     74.85323      -102.7 
1 1 1 5  38 2  o 29.02000       1.129000      775.7794      73.7   
1 1 1 5  38 3  o 31.34000       1.222000      646.0665      -160.2 
1 1 1 5  38 4  o 1.870000       0.7335000     216.8689      -27.9  
1 1 1 5  38 5  o 16.96000       0.8298000     497.9956      -6.3   
1 1 1 5  38 6  o 0.7035000      0.6917000     169.4465      106.2  
1 1 1 5  38 7  o 2.634000       0.6856000     104.3234      -25.1  
1 1 1 5  38 8  o 20.46000       0.8460000     638.8585      45.7   
1 1 1 5  38 9  o 1.853000       0.6506000     185.7130      -173.4 
1 1 1 5  38 10 o 4.238000       0.6413000     194.5856      -170.1 
1 1 1 5  38 11 o 33.87000       1.417000      726.2634      -115.5 
1 1 1 5  38 12 o 37.90000       1.506000      795.8233      -35.2  
1 1 1 5  38 13 o 15.32000       1.129000      540.7512      83.1   
1 1 1 5  38 14 o 20.19000       1.203000      569.8447      -65.3  
1 1 1 5  38 15 o 0.9797000      1.331000      226.5248      -152.2 
1 1 1 5  38 16 f 0.4870000      1.438000      197.8624      85.1   
1 1 1 5  38 17 o 7.651000       1.494000      382.2080      5.1    
1 1 1 5  38 18 o 0.6218000E-01  1.019000      77.05656      -89.7  
1 1 1 5  38 19 o 21.88000       1.260000      595.8232      55.1   
1 1 1 5  38 20 f 7.917000       1.086000      360.4787      135.2  
1 1 1 5  38 21 o 7.029000       1.086000      357.0024      24.6   
1 1 1 5  38 22 f 25.39000       1.325000      579.5607      -46.9  
1 1 1 5  38 23 o 5.694000       1.062000      367.9653      -46.1  
1 1 1 5  38 24 o 5.798000       1.096000      371.7761      -150.2 
1 1 1 5  38 25 o 15.99000       1.230000      569.7707      -46.6  
1 1 1 5  38 26 o 44.19000       1.749000      885.1549      -156.9 
1 1 1 5  38 27 o 3.808000       0.8551000     301.7245      -30.5  
1 1 1 5  38 28 o 1.823000       0.8414000     31.40814      35.7   
1 1 1 5  38 29 o 0.9376000      0.8339000     201.6943      77.7   
1 1 1 5  38 30 o 7.909000       0.9076000     444.2722      -63.1  
1 1 1 5  38 31 o 0.2321000E-01  1.039000      226.9750      -179.2 
1 1 1 5  38 32 o 2.065000       1.003000      266.3926      -114.1 
1 1 1 5  38 33 o 3.474000       0.9588000     185.5870      82.0   
1 1 1 5  38 34 o 7.513000       0.9998000     367.2194      127.4  
1 1 1 5  38 35 o 24.91000       1.753000      581.6837      64.6   
1 1 1 5  38 36 o 15.68000       1.297000      539.0801      -129.9 
1 1 1 5  38 37 o 7.983000       1.148000      357.9449      176.8  
1 1 1 5  38 38 o 6.239000       1.102000      353.2772      -88.4  
1 1 1 5  38 39 o 0.6757000      1.164000      135.5194      -113.5 
1 1 1 5  38 40 o 3.072000       1.394000      216.4987      100.2  
1 1 1 5  38 41 o 3.916000       1.304000      301.9366      -35.5  
1 1 1 5  38 42 o 4.064000       1.145000      404.7409      -155.5 
1 1 1 5  38 43 o 3.019000       1.145000      170.8118      -103.1 
1 1 1 5  38 44 o 0.8904000      1.111000      ?             ?      
1 1 1 5  38 45 o 2.162000       1.099000      ?             ?      
1 1 1 5  38 46 o 1.070000       1.091000      ?             ?      
1 1 1 5  38 47 o 13.79000       1.565000      ?             ?      
1 1 1 5  38 48 o 10.87000       1.368000      ?             ?      
1 1 1 5  38 49 o 1.573000       1.143000      ?             ?      
1 1 1 5  38 50 o 2.397000       1.092000      ?             ?      
1 1 1 5  38 51 o 2.278000       1.102000      ?             ?      
1 1 1 5  38 52 o 2.538000       1.104000      ?             ?      
1 1 1 5  38 53 o 2.056000       1.240000      ?             ?      
1 1 1 5  38 54 o 1.044000       1.377000      ?             ?      
1 1 1 5  38 55 o 0.1549000E-01  1.593000      ?             ?      
1 1 1 5  38 56 o 0.3004000      1.546000      ?             ?      
1 1 1 5  38 57 o 10.62000       1.444000      ?             ?      
1 1 1 5  38 58 o 2.043000       1.226000      ?             ?      
1 1 1 5  38 59 o -0.4255000     1.279000      ?             ?      
1 1 1 5  38 60 o 2.232000       1.306000      ?             ?      
1 1 1 5  38 61 o 0.6260000      1.335000      ?             ?      
1 1 1 5  38 62 o -0.2781000E-01 1.510000      ?             ?      
1 1 1 5  38 63 o 4.434000       1.336000      ?             ?      
1 1 1 5  39 0  o 2.071000       1.194000      33.36324      90.0   
1 1 1 5  39 1  o 1.086000       0.8323000     185.1942      -123.0 
1 1 1 5  39 2  o 3.271000       0.8437000     181.6677      34.8   
1 1 1 5  39 3  o 5.905000       0.9026000     219.1021      -125.4 
1 1 1 5  39 4  o 4.126000       0.7917000     239.2228      77.2   
1 1 1 5  39 5  o 4.055000       0.7290000     349.2597      18.6   
1 1 1 5  39 6  f 1.902000       0.7071000     149.0313      153.7  
1 1 1 5  39 7  o 15.31000       0.7706000     523.3066      -97.0  
1 1 1 5  39 8  o 45.05000       1.222000      748.1219      156.8  
1 1 1 5  39 9  o 2.163000       0.6464000     201.2210      -27.7  
1 1 1 5  39 10 o 18.68000       0.8648000     471.3309      21.8   
1 1 1 5  39 11 o 0.9062000      0.7288000     69.26086      -76.9  
1 1 1 5  39 12 o 1.427000       1.006000      286.0082      140.6  
1 1 1 5  39 13 o 9.138000       1.047000      449.8107      105.1  
1 1 1 5  39 14 o 17.59000       1.584000      449.5992      -74.8  
1 1 1 5  39 15 o -0.1260000     1.341000      163.7949      105.1  
1 1 1 5  39 16 o 5.965000       1.496000      253.4474      -115.7 
1 1 1 5  39 17 o 16.34000       1.638000      471.2550      -30.6  
1 1 1 5  39 18 o 19.15000       1.207000      599.0385      96.1   
1 1 1 5  39 19 o 4.194000       1.379000      363.2230      60.1   
1 1 1 5  39 20 o 14.78000       1.514000      463.3660      -21.7  
1 1 1 5  39 21 o 7.383000       1.430000      431.1773      -76.0  
1 1 1 5  39 22 o 1.157000       1.388000      88.53243      -90.2  
1 1 1 5  39 23 o 13.90000       1.506000      475.1230      -22.8  
1 1 1 5  39 24 o 0.5388000      1.403000      126.9594      -6.7   
1 1 1 5  39 25 o 14.18000       1.229000      583.0550      -54.0  
1 1 1 5  39 26 o 9.225000       1.233000      392.2381      79.6   
1 1 1 5  39 27 o 8.881000       1.224000      328.3164      154.4  
1 1 1 5  39 28 o 4.798000       1.218000      371.7383      2.1    
1 1 1 5  39 29 o 0.2419000      0.8733000     106.8268      -30.4  
1 1 1 5  39 30 o 9.375000       0.9574000     382.5377      98.8   
1 1 1 5  39 31 o 3.522000       1.789000      242.9424      -45.8  
1 1 1 5  39 32 o 3.348000       1.771000      226.2227      -169.9 
1 1 1 5  39 33 o -0.2835000     0.8160000     67.59116      -168.5 
1 1 1 5  39 34 o 3.085000       0.8005000     353.1746      -44.6  
1 1 1 5  39 35 o 4.299000       0.7715000     283.7633      -88.6  
1 1 1 5  39 36 o -0.9222000E-01 0.8321000     130.1333      -67.0  
1 1 1 5  39 37 o 1.251000       0.9700000     181.4922      137.0  
1 1 1 5  39 38 o 1.619000       1.114000      245.6060      -157.6 
1 1 1 5  39 39 f 0.5897000      1.048000      141.0284      111.9  
1 1 1 5  39 40 o 1.521000       1.192000      106.9647      122.7  
1 1 1 5  39 41 o 0.2024000      1.373000      210.5203      -50.4  
1 1 1 5  39 42 o 0.2615000      1.246000      177.9352      -107.8 
1 1 1 5  39 43 o 1.989000       1.112000      ?             ?      
1 1 1 5  39 44 o 5.753000       1.117000      ?             ?      
1 1 1 5  39 45 o 1.052000       1.095000      ?             ?      
1 1 1 5  39 46 o 8.281000       1.187000      ?             ?      
1 1 1 5  39 47 o 0.9650000      1.230000      ?             ?      
1 1 1 5  39 48 o 2.556000       1.178000      ?             ?      
1 1 1 5  39 49 o 1.055000       1.093000      ?             ?      
1 1 1 5  39 50 o -0.2353000     1.089000      ?             ?      
1 1 1 5  39 51 o 1.146000       1.091000      ?             ?      
1 1 1 5  39 52 o -0.8158000     1.082000      ?             ?      
1 1 1 5  39 53 o -0.7864000     1.090000      ?             ?      
1 1 1 5  39 54 o 10.41000       1.330000      ?             ?      
1 1 1 5  39 55 o -0.4225000     1.344000      ?             ?      
1 1 1 5  39 56 o 3.312000       1.630000      ?             ?      
1 1 1 5  39 57 o 2.997000       1.440000      ?             ?      
1 1 1 5  39 58 o 2.673000       1.315000      ?             ?      
1 1 1 5  39 59 o 2.242000       1.246000      ?             ?      
1 1 1 5  39 60 o -0.9798000     1.393000      ?             ?      
1 1 1 5  39 61 o -0.1216000     1.426000      ?             ?      
1 1 1 5  39 62 o -0.5203000     1.281000      ?             ?      
1 1 1 5  40 0  o 12.82000       1.355000      445.0480      -90.0  
1 1 1 5  40 1  o 2.342000       0.8474000     50.56984      8.5    
1 1 1 5  40 2  o 5.140000       0.8206000     254.5456      90.8   
1 1 1 5  40 3  o 8.249000       0.9289000     302.5696      23.2   
1 1 1 5  40 4  o 3.908000       0.8116000     192.1047      -47.2  
1 1 1 5  40 5  o 9.237000       0.7847000     315.2487      -132.9 
1 1 1 5  40 6  o 16.18000       0.8390000     421.2590      117.4  
1 1 1 5  40 7  o 3.721000       0.6820000     225.0436      -139.3 
1 1 1 5  40 8  o 14.36000       0.8469000     273.3821      -18.6  
1 1 1 5  40 9  o 13.39000       0.8161000     383.9794      -88.2  
1 1 1 5  40 10 o 3.640000       0.6192000     214.9387      -97.2  
1 1 1 5  40 11 o 0.3620000      0.7087000     103.0429      -171.6 
1 1 1 5  40 12 o 12.13000       1.299000      388.6091      -65.8  
1 1 1 5  40 13 o 2.055000       1.039000      106.6435      16.5   
1 1 1 5  40 14 o -1.356000      1.360000      116.2940      102.5  
1 1 1 5  40 15 o 5.596000       1.127000      301.2192      -51.9  
1 1 1 5  40 16 o 2.200000       1.457000      93.43501      13.3   
1 1 1 5  40 17 o 6.552000       1.071000      285.9971      -76.7  
1 1 1 5  40 18 o 8.976000       1.435000      320.7983      102.4  
1 1 1 5  40 19 o 21.01000       1.605000      600.4495      114.8  
1 1 1 5  40 20 o 9.482000       1.478000      257.5513      -9.3   
1 1 1 5  40 21 o 17.77000       1.601000      476.8605      14.4   
1 1 1 5  40 22 o 0.1914000      1.418000      232.9034      -104.5 
1 1 1 5  40 23 o 7.921000       1.491000      360.3569      -28.8  
1 1 1 5  40 24 o 3.200000       1.477000      133.7610      -125.1 
1 1 1 5  40 25 o 9.900000       1.570000      382.1416      -131.4 
1 1 1 5  40 26 f 7.119000       0.7701000     351.3661      103.3  
1 1 1 5  40 27 o 4.285000       1.209000      163.7985      79.0   
1 1 1 5  40 28 o 1.074000       1.228000      40.02090      148.4  
1 1 1 5  40 29 o -0.1615000     1.639000      167.8716      155.2  
1 1 1 5  40 30 o 2.690000       1.742000      177.1169      -122.8 
1 1 1 5  40 31 o -0.8431000     1.816000      137.7091      18.9   
1 1 1 5  40 32 o 1.616000       1.037000      149.6757      -21.7  
1 1 1 5  40 33 o 0.3679000      0.9318000     84.79005      109.7  
1 1 1 5  40 34 o 0.5723000      0.6111000     45.82129      3.4    
1 1 1 5  40 35 o 1.811000       0.6826000     160.7301      73.4   
1 1 1 5  40 36 o -0.4344000     0.7251000     31.50905      -110.4 
1 1 1 5  40 37 o 0.2234000      0.8531000     125.3746      -121.1 
1 1 1 5  40 38 o 0.5697000      0.9682000     101.4376      -169.1 
1 1 1 5  40 39 o 0.5675000      1.109000      97.73361      83.1   
1 1 1 5  40 40 o 2.434000       1.070000      94.86345      -29.8  
1 1 1 5  40 41 o 0.1002000      1.174000      107.8577      132.6  
1 1 1 5  40 42 o 3.716000       1.372000      ?             ?      
1 1 1 5  40 43 o 5.412000       1.227000      ?             ?      
1 1 1 5  40 44 o 0.5558000      1.015000      ?             ?      
1 1 1 5  40 45 o 0.6726000      1.037000      ?             ?      
1 1 1 5  40 46 o 1.192000       1.107000      ?             ?      
1 1 1 5  40 47 o 2.461000       1.192000      ?             ?      
1 1 1 5  40 48 o 8.025000       1.166000      ?             ?      
1 1 1 5  40 49 o 1.919000       1.086000      ?             ?      
1 1 1 5  40 50 o 1.706000       1.089000      ?             ?      
1 1 1 5  40 51 o 0.8797000      1.088000      ?             ?      
1 1 1 5  40 52 o 1.214000       1.089000      ?             ?      
1 1 1 5  40 53 o 0.5307000      1.088000      ?             ?      
1 1 1 5  40 54 o -0.1367000     1.087000      ?             ?      
1 1 1 5  40 55 o 0.2703000      1.231000      ?             ?      
1 1 1 5  40 56 o 0.8801000      1.393000      ?             ?      
1 1 1 5  40 57 o 0.8780000      1.606000      ?             ?      
1 1 1 5  40 58 o 1.571000       1.432000      ?             ?      
1 1 1 5  40 59 o -2.098000      1.215000      ?             ?      
1 1 1 5  40 60 o 0.8719000      1.290000      ?             ?      
1 1 1 5  40 61 o -3.065000      1.318000      ?             ?      
1 1 1 5  41 0  o 3.125000       1.069000      194.8350      90.0   
1 1 1 5  41 1  o 0.1847000      0.8052000     68.07497      160.7  
1 1 1 5  41 2  o 1.430000       0.7949000     84.64768      7.9    
1 1 1 5  41 3  o 2.933000       0.8368000     163.3101      89.2   
1 1 1 5  41 4  o 4.883000       0.8922000     204.7331      -41.6  
1 1 1 5  41 5  o 5.392000       0.8085000     186.5004      -113.2 
1 1 1 5  41 6  f 1.305000       0.7256000     106.3242      169.7  
1 1 1 5  41 7  o 7.635000       0.7118000     175.9239      -173.5 
1 1 1 5  41 8  f 0.8195000      0.6596000     208.3032      30.8   
1 1 1 5  41 9  o 12.28000       0.7397000     382.1797      26.7   
1 1 1 5  41 10 o -0.4384000     0.6075000     66.42520      51.2   
1 1 1 5  41 11 o 10.60000       1.056000      227.9009      109.0  
1 1 1 5  41 12 o 0.4364000      1.037000      177.7950      131.7  
1 1 1 5  41 13 o 2.664000       1.364000      114.0845      28.8   
1 1 1 5  41 14 o 1.877000       1.425000      21.99866      -129.5 
1 1 1 5  41 15 o 0.7753000      1.510000      132.3884      -36.3  
1 1 1 5  41 16 o 11.23000       1.625000      275.5886      82.7   
1 1 1 5  41 17 o 1.495000       1.377000      162.1878      -111.7 
1 1 1 5  41 18 f 0.9235000      1.373000      38.00533      25.5   
1 1 1 5  41 19 o 4.617000       1.416000      221.9729      113.0  
1 1 1 5  41 20 o 2.792000       1.419000      135.2175      -47.7  
1 1 1 5  41 21 f 0.1278000      1.416000      39.14201      -67.6  
1 1 1 5  41 22 o 2.036000       1.447000      109.9939      154.7  
1 1 1 5  41 23 o 8.008000       1.507000      347.2520      -48.9  
1 1 1 5  41 24 o 1.034000       1.489000      112.7399      74.1   
1 1 1 5  41 25 o 3.988000       1.551000      183.3431      155.3  
1 1 1 5  41 26 o 4.764000       1.620000      255.5374      149.4  
1 1 1 5  41 27 o 8.043000       1.657000      161.6680      -96.6  
1 1 1 5  41 28 o 9.616000       1.745000      295.2481      52.2   
1 1 1 5  41 29 o 5.627000       1.336000      178.0325      -32.3  
1 1 1 5  41 30 o 4.819000       1.827000      231.4601      91.3   
1 1 1 5  41 31 o 0.6127000      1.001000      58.58602      -166.7 
1 1 1 5  41 32 o 3.360000       1.098000      201.5821      -170.9 
1 1 1 5  41 33 o 5.016000       0.9348000     175.1544      15.6   
1 1 1 5  41 34 f 0.2806000      0.9469000     69.52703      -61.5  
1 1 1 5  41 35 o 1.867000       0.9288000     146.9461      159.8  
1 1 1 5  41 36 o 5.567000       0.7582000     320.1322      142.8  
1 1 1 5  41 37 f 1.784000       0.7265000     42.24075      1.1    
1 1 1 5  41 38 o -0.5314000     0.8315000     39.10865      70.8   
1 1 1 5  41 39 o 1.269000       0.9815000     36.33382      130.9  
1 1 1 5  41 40 o 0.8498000      1.103000      82.40240      -56.8  
1 1 1 5  41 41 o 2.314000       1.061000      ?             ?      
1 1 1 5  41 42 o 4.353000       1.179000      ?             ?      
1 1 1 5  41 43 o 0.1639000      1.296000      ?             ?      
1 1 1 5  41 44 o 3.994000       1.174000      ?             ?      
1 1 1 5  41 45 o 0.5427000      1.051000      ?             ?      
1 1 1 5  41 46 o 0.6547000      1.153000      ?             ?      
1 1 1 5  41 47 o -1.058000      1.099000      ?             ?      
1 1 1 5  41 48 o 1.557000       1.035000      ?             ?      
1 1 1 5  41 49 o 0.1265000      1.027000      ?             ?      
1 1 1 5  41 50 o 1.875000       1.050000      ?             ?      
1 1 1 5  41 51 o 0.4306000      1.058000      ?             ?      
1 1 1 5  41 52 o 1.207000       1.069000      ?             ?      
1 1 1 5  41 53 o 1.333000       1.092000      ?             ?      
1 1 1 5  41 54 o 2.526000       1.105000      ?             ?      
1 1 1 5  41 55 o 4.080000       1.147000      ?             ?      
1 1 1 5  41 56 o 0.2508000      1.367000      ?             ?      
1 1 1 5  41 57 o 0.1766000      1.371000      ?             ?      
1 1 1 5  41 58 o 0.4416000      1.293000      ?             ?      
1 1 1 5  41 59 o 0.3442000E-01  1.616000      ?             ?      
1 1 1 5  41 60 o 0.4036000E-01  1.359000      ?             ?      
1 1 1 5  41 61 o -0.1059000     2.703000      ?             ?      
1 1 1 5  42 0  o 3.666000       1.263000      6.448127      90.0   
1 1 1 5  42 1  o 1.478000       0.8078000     105.1556      -43.5  
1 1 1 5  42 2  o 2.315000       0.8740000     50.31283      -73.7  
1 1 1 5  42 3  o 8.553000       0.9005000     80.69379      -49.5  
1 1 1 5  42 4  o 2.222000       0.8969000     74.79653      131.2  
1 1 1 5  42 5  o 2.957000       0.8024000     57.41849      98.3   
1 1 1 5  42 6  o 2.657000       0.7866000     56.89757      -1.3   
1 1 1 5  42 7  o -0.3807000     0.6767000     88.05418      -124.5 
1 1 1 5  42 8  o 1.974000       0.6703000     164.1772      83.1   
1 1 1 5  42 9  o 8.198000       0.7546000     215.0342      129.9  
1 1 1 5  42 10 o 10.29000       0.7014000     282.3807      169.2  
1 1 1 5  42 11 o 3.234000       0.7621000     221.5740      -127.0 
1 1 1 5  42 12 o 0.5343000      1.033000      38.45873      -7.4   
1 1 1 5  42 13 o 8.249000       1.586000      181.7730      123.6  
1 1 1 5  42 14 o 0.9702000      1.149000      156.0284      74.2   
1 1 1 5  42 15 o 3.053000       1.560000      187.4508      -71.3  
1 1 1 5  42 16 o 3.911000       1.152000      61.36945      126.3  
1 1 1 5  42 17 o 2.274000       1.442000      89.03268      -122.9 
1 1 1 5  42 18 o 2.792000       1.437000      103.8257      -73.0  
1 1 1 5  42 19 o 9.454000       1.513000      194.4487      128.5  
1 1 1 5  42 20 o -0.3679000     1.433000      72.66147      26.3   
1 1 1 5  42 21 o 2.032000       1.442000      160.3637      22.0   
1 1 1 5  42 22 o 7.736000       1.534000      177.7088      -94.9  
1 1 1 5  42 23 o 1.550000       1.471000      65.06862      -125.8 
1 1 1 5  42 24 o 2.750000       1.513000      22.24572      74.5   
1 1 1 5  42 25 o 2.010000       1.550000      126.9783      -146.8 
1 1 1 5  42 26 o 3.223000       1.628000      102.2740      106.6  
1 1 1 5  42 27 o -0.5317000     1.658000      42.77423      7.7    
1 1 1 5  42 28 o -0.2265000     1.728000      57.86245      -99.5  
1 1 1 5  42 29 o 8.284000       2.197000      253.7599      -172.9 
1 1 1 5  42 30 o 0.8531000      1.845000      101.9253      38.0   
1 1 1 5  42 31 o 3.636000       2.016000      142.3525      -46.2  
1 1 1 5  42 32 o 0.8241000      0.9222000     53.98151      -98.7  
1 1 1 5  42 33 o 2.151000       0.9470000     169.8855      108.1  
1 1 1 5  42 34 o 0.8714000      0.9335000     104.1501      -102.1 
1 1 1 5  42 35 o 6.222000       1.208000      188.5047      67.3   
1 1 1 5  42 36 o 3.010000       0.9749000     75.29287      159.0  
1 1 1 5  42 37 o 1.352000       0.9479000     118.7314      -84.1  
1 1 1 5  42 38 o 0.3821000      0.7190000     130.0750      96.2   
1 1 1 5  42 39 o 5.041000       0.7851000     ?             ?      
1 1 1 5  42 40 o 2.517000       0.9505000     ?             ?      
1 1 1 5  42 41 o 2.151000       1.076000      ?             ?      
1 1 1 5  42 42 o -0.4576000     0.9983000     ?             ?      
1 1 1 5  42 43 o 0.8565000      1.091000      ?             ?      
1 1 1 5  42 44 o 1.270000       1.257000      ?             ?      
1 1 1 5  42 45 o -0.7672000     1.427000      ?             ?      
1 1 1 5  42 46 o 0.3014000      1.039000      ?             ?      
1 1 1 5  42 47 o 0.7464000      1.013000      ?             ?      
1 1 1 5  42 48 o -0.6104000     0.9941000     ?             ?      
1 1 1 5  42 49 o 4.012000       1.039000      ?             ?      
1 1 1 5  42 50 o 2.350000       1.045000      ?             ?      
1 1 1 5  42 51 o 0.7042000      1.036000      ?             ?      
1 1 1 5  42 52 o 0.4430000      1.037000      ?             ?      
1 1 1 5  42 53 o 1.279000       1.188000      ?             ?      
1 1 1 5  42 54 o 3.255000       1.090000      ?             ?      
1 1 1 5  42 55 o 1.635000       1.112000      ?             ?      
1 1 1 5  42 56 o -0.7946000E-01 1.109000      ?             ?      
1 1 1 5  42 57 o 0.1450000      1.340000      ?             ?      
1 1 1 5  42 58 o 0.7824000      1.636000      ?             ?      
1 1 1 5  42 59 o 0.9775000      1.868000      ?             ?      
1 1 1 5  42 60 o 1.401000       1.462000      ?             ?      
1 1 1 5  43 0  o -1.476000      1.084000      4.763917      90.0   
1 1 1 5  43 1  o 7.402000       0.8662000     174.6163      -131.7 
1 1 1 5  43 2  o 0.3108000      0.8802000     164.0696      179.0  
1 1 1 5  43 3  o 1.313000       0.8257000     75.31977      -109.0 
1 1 1 5  43 4  o 4.045000       0.9299000     84.22495      -16.8  
1 1 1 5  43 5  o -0.6079000     0.8089000     36.68233      139.9  
1 1 1 5  43 6  o 10.49000       0.9860000     169.4711      156.4  
1 1 1 5  43 7  o 3.301000       0.7099000     105.9819      83.4   
1 1 1 5  43 8  o 2.483000       0.6772000     136.2106      6.3    
1 1 1 5  43 9  o 0.2783000      0.6302000     113.1002      119.5  
1 1 1 5  43 10 o 0.9201000      0.5994000     88.59674      -67.2  
1 1 1 5  43 11 o 0.1868000      0.6267000     36.92413      -141.6 
1 1 1 5  43 12 o 4.205000       1.414000      186.8515      -68.5  
1 1 1 5  43 13 o 3.927000       1.461000      123.0819      47.4   
1 1 1 5  43 14 o 1.424000       1.553000      59.89749      54.0   
1 1 1 5  43 15 o 3.326000       1.559000      219.3238      -103.7 
1 1 1 5  43 16 o 3.903000       1.126000      158.6460      -72.6  
1 1 1 5  43 17 o 9.768000       1.577000      222.7874      48.9   
1 1 1 5  43 18 o 0.4535000      1.486000      119.4917      -60.1  
1 1 1 5  43 19 o -0.9834000     1.471000      66.51173      166.4  
1 1 1 5  43 20 o -0.9318000E-02 1.474000      48.31917      155.9  
1 1 1 5  43 21 o 2.414000       1.493000      42.34461      175.4  
1 1 1 5  43 22 o -2.535000      1.512000      35.81607      22.9   
1 1 1 5  43 23 o 1.723000       1.516000      117.8140      -61.8  
1 1 1 5  43 24 o 8.115000       1.601000      189.2985      139.3  
1 1 1 5  43 25 o 2.331000       1.612000      83.98733      104.0  
1 1 1 5  43 26 o 1.700000       1.702000      72.17887      -29.1  
1 1 1 5  43 27 o 3.611000       1.759000      75.06379      -47.9  
1 1 1 5  43 28 o 5.524000       1.823000      256.7767      -44.1  
1 1 1 5  43 29 o 9.142000       2.693000      183.7935      -119.7 
1 1 1 5  43 30 o 2.772000       2.096000      104.0028      120.0  
1 1 1 5  43 31 o -0.8309000     2.452000      42.64486      88.3   
1 1 1 5  43 32 o 3.152000       1.496000      250.9264      -148.8 
1 1 1 5  43 33 o 2.337000       1.514000      22.64071      -104.3 
1 1 1 5  43 34 o 12.49000       1.224000      305.6190      -143.4 
1 1 1 5  43 35 o 0.4730000      0.9713000     73.87284      134.6  
1 1 1 5  43 36 o 1.196000       0.9589000     106.5561      175.3  
1 1 1 5  43 37 o 2.636000       1.163000      74.32600      -134.4 
1 1 1 5  43 38 o 3.805000       0.9418000     ?             ?      
1 1 1 5  43 39 o -0.2309000     0.6493000     ?             ?      
1 1 1 5  43 40 o -0.5328000     0.6976000     ?             ?      
1 1 1 5  43 41 o -1.343000      0.8920000     ?             ?      
1 1 1 5  43 42 o -0.7373000     1.017000      ?             ?      
1 1 1 5  43 43 o 0.2501000      0.9558000     ?             ?      
1 1 1 5  43 44 o 7.103000       1.228000      ?             ?      
1 1 1 5  43 45 o 1.173000       1.552000      ?             ?      
1 1 1 5  43 46 o -0.6629000     1.153000      ?             ?      
1 1 1 5  43 47 o -0.2482000     0.9381000     ?             ?      
1 1 1 5  43 48 o 0.1008000E-02  0.9546000     ?             ?      
1 1 1 5  43 49 o 3.346000       0.9961000     ?             ?      
1 1 1 5  43 50 o 0.9258000      1.001000      ?             ?      
1 1 1 5  43 51 o 0.3908000      1.013000      ?             ?      
1 1 1 5  43 52 o 0.6265000      1.027000      ?             ?      
1 1 1 5  43 53 o 1.663000       1.051000      ?             ?      
1 1 1 5  43 54 o 0.2018000      1.069000      ?             ?      
1 1 1 5  43 55 o -0.9524000E-01 1.074000      ?             ?      
1 1 1 5  43 56 o -0.3948000     1.101000      ?             ?      
1 1 1 5  43 57 o 0.2710000E-01  1.226000      ?             ?      
1 1 1 5  43 58 o 0.1100000      1.534000      ?             ?      
1 1 1 5  43 59 o -2.243000      2.282000      ?             ?      
1 1 1 5  44 0  o 0.3861000      1.087000      71.54278      90.0   
1 1 1 5  44 1  o -0.3085000     0.7698000     179.3691      -71.4  
1 1 1 5  44 2  o 7.187000       0.9326000     244.2895      -52.9  
1 1 1 5  44 3  o 13.17000       1.099000      318.3885      -2.4   
1 1 1 5  44 4  o -0.2514000     0.8530000     86.96080      -31.2  
1 1 1 5  44 5  o 1.811000       0.9169000     83.60635      -98.6  
1 1 1 5  44 6  o 2.014000       0.7798000     147.3687      -54.7  
1 1 1 5  44 7  o 15.05000       0.9540000     229.0624      65.6   
1 1 1 5  44 8  f 1.100000       0.6937000     135.4184      120.2  
1 1 1 5  44 9  o 4.257000       0.7718000     211.5106      -18.4  
1 1 1 5  44 10 o 2.531000       0.6024000     58.97961      -113.4 
1 1 1 5  44 11 o 1.326000       0.5363000     103.0065      -39.0  
1 1 1 5  44 12 o 9.211000       1.594000      291.0645      -37.9  
1 1 1 5  44 13 o 2.223000       1.121000      155.7095      -34.0  
1 1 1 5  44 14 o 4.539000       1.609000      164.3328      114.4  
1 1 1 5  44 15 o 7.612000       1.186000      231.8663      47.9   
1 1 1 5  44 16 o 4.141000       1.500000      198.1029      178.8  
1 1 1 5  44 17 o 15.55000       1.673000      366.3214      148.8  
1 1 1 5  44 18 o 0.5844000      1.536000      71.28918      147.1  
1 1 1 5  44 19 o 6.114000       1.584000      216.8365      -121.5 
1 1 1 5  44 20 o 8.134000       1.597000      281.8349      55.8   
1 1 1 5  44 21 o 1.944000       1.564000      75.14324      36.0   
1 1 1 5  44 22 o 6.676000       1.595000      236.6457      -63.3  
1 1 1 5  44 23 o 0.6022000      1.566000      154.1978      166.3  
1 1 1 5  44 24 o 4.637000       1.644000      192.7885      -40.2  
1 1 1 5  44 25 o 4.238000       1.733000      200.4206      79.3   
1 1 1 5  44 26 o 1.241000       1.778000      138.5832      50.3   
1 1 1 5  44 27 o 1.573000       1.826000      76.92728      153.6  
1 1 1 5  44 28 o 2.641000       2.248000      99.64668      -42.8  
1 1 1 5  44 29 o -0.7998000     3.740000      47.93584      113.2  
1 1 1 5  44 30 o 1.594000       2.869000      56.53801      174.8  
1 1 1 5  44 31 o 4.431000       2.001000      104.9906      -47.3  
1 1 1 5  44 32 o 7.555000       2.043000      298.2104      -26.6  
1 1 1 5  44 33 o 4.017000       2.073000      131.3083      -60.7  
1 1 1 5  44 34 o -0.1008000     1.566000      129.0161      167.2  
1 1 1 5  44 35 o 7.552000       1.139000      233.1807      -18.2  
1 1 1 5  44 36 o -1.728000      0.9896000     ?             ?      
1 1 1 5  44 37 o 0.4828000      0.9074000     ?             ?      
1 1 1 5  44 38 o 0.1543000      0.9301000     ?             ?      
1 1 1 5  44 39 o 1.207000       1.126000      ?             ?      
1 1 1 5  44 40 o 0.5246000      0.9147000     ?             ?      
1 1 1 5  44 41 o 1.069000       0.6708000     ?             ?      
1 1 1 5  44 42 o -0.7160000E-01 0.8496000     ?             ?      
1 1 1 5  44 43 o 1.891000       1.024000      ?             ?      
1 1 1 5  44 44 o 0.1172000      0.9808000     ?             ?      
1 1 1 5  44 45 o -0.2830000     0.8923000     ?             ?      
1 1 1 5  44 46 o 2.110000       1.067000      ?             ?      
1 1 1 5  44 47 o 0.2459000      1.076000      ?             ?      
1 1 1 5  44 48 o 3.358000       0.9475000     ?             ?      
1 1 1 5  44 49 o 0.8705000      0.9534000     ?             ?      
1 1 1 5  44 50 o 1.662000       0.9676000     ?             ?      
1 1 1 5  44 51 o -0.8611000E-01 0.9838000     ?             ?      
1 1 1 5  44 52 o 1.548000       1.009000      ?             ?      
1 1 1 5  44 53 o -0.1662000     1.025000      ?             ?      
1 1 1 5  44 54 o -0.2981000     1.050000      ?             ?      
1 1 1 5  44 55 o -1.037000      1.071000      ?             ?      
1 1 1 5  44 56 o 0.2605000      1.100000      ?             ?      
1 1 1 5  44 57 o -0.6997000     1.157000      ?             ?      
1 1 1 5  44 58 o -0.5563000     2.153000      ?             ?      
1 1 1 5  45 0  o 0.4893000      1.104000      51.30087      -90.0  
1 1 1 5  45 1  o 1.172000       0.7938000     31.44468      -30.8  
1 1 1 5  45 2  o 4.118000       0.8685000     186.4534      -104.9 
1 1 1 5  45 3  o 10.35000       0.9214000     373.1804      90.2   
1 1 1 5  45 4  o 2.238000       0.8769000     73.02877      15.0   
1 1 1 5  45 5  o -0.4364000     0.9081000     87.85718      -42.4  
1 1 1 5  45 6  o 0.1032000      0.8468000     61.84262      -149.1 
1 1 1 5  45 7  o 13.07000       0.8849000     401.8022      88.2   
1 1 1 5  45 8  o 4.238000       0.7280000     119.2062      156.9  
1 1 1 5  45 9  o 0.2372000      0.6720000     207.8416      150.9  
1 1 1 5  45 10 o 3.690000       0.6099000     191.4449      114.6  
1 1 1 5  45 11 o -0.1429000     0.5277000     18.16186      129.8  
1 1 1 5  45 12 o 0.6653000E-02  1.487000      162.3937      34.8   
1 1 1 5  45 13 o -0.7832000     1.590000      246.9125      55.4   
1 1 1 5  45 14 o 9.361000       1.699000      297.1880      -155.7 
1 1 1 5  45 15 o 0.7326000      1.216000      120.9902      -75.4  
1 1 1 5  45 16 o 2.647000       1.516000      23.13396      29.6   
1 1 1 5  45 17 o 7.654000       1.592000      314.3376      0.9    
1 1 1 5  45 18 o 4.452000       1.600000      245.6384      -146.0 
1 1 1 5  45 19 o 7.049000       1.649000      244.2937      -123.4 
1 1 1 5  45 20 o 0.6497000      1.626000      21.00481      -87.6  
1 1 1 5  45 21 f 3.210000       1.655000      115.6089      32.2   
1 1 1 5  45 22 o 0.6565000      1.635000      86.48082      143.9  
1 1 1 5  45 23 o 3.931000       1.678000      184.4868      44.2   
1 1 1 5  45 24 o 1.351000       1.718000      164.1184      108.3  
1 1 1 5  45 25 o 4.066000       1.826000      232.0199      92.6   
1 1 1 5  45 26 o 1.157000       1.856000      88.55092      57.9   
1 1 1 5  45 27 o 0.6947000      1.917000      56.13924      2.3    
1 1 1 5  45 28 o 2.111000       2.722000      148.4244      1.3    
1 1 1 5  45 29 o -5.668000      4.060000      129.9549      118.8  
1 1 1 5  45 30 o 6.472000       2.494000      139.1414      74.0   
1 1 1 5  45 31 o 8.183000       2.046000      262.3075      92.1   
1 1 1 5  45 32 o 9.869000       2.084000      220.9010      -106.2 
1 1 1 5  45 33 o 0.7097000      2.028000      222.9524      -93.0  
1 1 1 5  45 34 o 0.5672000      2.016000      ?             ?      
1 1 1 5  45 35 o 3.412000       2.037000      ?             ?      
1 1 1 5  45 36 o 2.686000       0.9343000     ?             ?      
1 1 1 5  45 37 o -1.511000      0.8950000     ?             ?      
1 1 1 5  45 38 o 1.130000       0.8856000     ?             ?      
1 1 1 5  45 39 o 0.4964000      0.9155000     ?             ?      
1 1 1 5  45 40 o 4.377000       1.131000      ?             ?      
1 1 1 5  45 41 o -0.1029000E-01 0.8905000     ?             ?      
1 1 1 5  45 42 o 1.530000       0.6292000     ?             ?      
1 1 1 5  45 43 o 1.442000       0.7863000     ?             ?      
1 1 1 5  45 44 o -0.4100000E-01 1.070000      ?             ?      
1 1 1 5  45 45 o 0.7387000      0.9159000     ?             ?      
1 1 1 5  45 46 o -1.344000      0.8284000     ?             ?      
1 1 1 5  45 47 o -1.325000      1.026000      ?             ?      
1 1 1 5  45 48 f -1.044000      1.198000      ?             ?      
1 1 1 5  45 49 o -0.2918000     0.9043000     ?             ?      
1 1 1 5  45 50 o 0.4545000      0.9383000     ?             ?      
1 1 1 5  45 51 o -0.3707000     0.9708000     ?             ?      
1 1 1 5  45 52 o -0.8509000E-01 1.004000      ?             ?      
1 1 1 5  45 53 o 0.5997000      1.008000      ?             ?      
1 1 1 5  45 54 o 3.254000       1.061000      ?             ?      
1 1 1 5  45 55 o 1.225000       1.083000      ?             ?      
1 1 1 5  45 56 o -0.4993000     1.101000      ?             ?      
1 1 1 5  45 57 o 0.7357000      1.197000      ?             ?      
1 1 1 5  46 0  o -0.9622000E-01 1.129000      55.97729      90.0   
1 1 1 5  46 1  o 4.069000       0.8328000     266.6534      -98.6  
1 1 1 5  46 2  o 0.8552000      0.8636000     161.6840      -10.9  
1 1 1 5  46 3  o -1.262000      0.9011000     166.3845      107.1  
1 1 1 5  46 4  o -2.292000      0.7816000     38.39693      -104.7 
1 1 1 5  46 5  o 4.542000       0.9775000     208.5003      -139.6 
1 1 1 5  46 6  o 8.636000       0.9538000     322.2852      178.8  
1 1 1 5  46 7  o 6.109000       0.8987000     288.1990      -138.3 
1 1 1 5  46 8  o -1.908000      0.7304000     26.37041      -3.5   
1 1 1 5  46 9  o 4.763000       0.7021000     300.4427      -6.3   
1 1 1 5  46 10 o 1.129000       0.6118000     128.1481      177.6  
1 1 1 5  46 11 o 0.5475000      0.6950000     53.42551      -146.9 
1 1 1 5  46 12 o -0.3309000     1.364000      98.02123      90.1   
1 1 1 5  46 13 o 15.02000       2.329000      437.1700      -168.4 
1 1 1 5  46 14 o 0.1172000      1.565000      132.6749      59.9   
1 1 1 5  46 15 o 3.541000       1.225000      186.5451      -68.9  
1 1 1 5  46 16 o 7.117000       1.631000      314.1017      141.2  
1 1 1 5  46 17 o -0.9573000     1.606000      88.51413      -17.5  
1 1 1 5  46 18 o 1.258000       1.639000      108.0165      -120.0 
1 1 1 5  46 19 o 3.129000       1.671000      103.8133      134.8  
1 1 1 5  46 20 o -0.1281000     1.677000      130.1381      64.9   
1 1 1 5  46 21 o 37.75000       2.259000      664.7350      -144.1 
1 1 1 5  46 22 o 3.672000       1.768000      61.94657      68.7   
1 1 1 5  46 23 o 5.344000       1.794000      119.7341      101.9  
1 1 1 5  46 24 o 0.4329000      1.828000      53.40209      7.9    
1 1 1 5  46 25 o 9.619000       2.730000      326.7071      165.9  
1 1 1 5  46 26 o 5.520000       1.954000      182.5884      -39.7  
1 1 1 5  46 27 o 5.737000       2.424000      225.1011      132.4  
1 1 1 5  46 28 o 1.782000       4.071000      148.8912      145.8  
1 1 1 5  46 29 o 5.652000       2.901000      277.9753      157.1  
1 1 1 5  46 30 o -0.5098000     2.001000      68.36210      -69.7  
1 1 1 5  46 31 o 0.2529000      1.971000      227.4618      -27.0  
1 1 1 5  46 32 o 6.281000       2.036000      193.7251      -55.6  
1 1 1 5  46 33 o 6.888000       2.065000      ?             ?      
1 1 1 5  46 34 o 11.99000       2.104000      ?             ?      
1 1 1 5  46 35 o -0.3299000     1.958000      ?             ?      
1 1 1 5  46 36 o -0.1991000     1.939000      ?             ?      
1 1 1 5  46 37 o 1.344000       1.472000      ?             ?      
1 1 1 5  46 38 o 3.581000       0.8758000     ?             ?      
1 1 1 5  46 39 o 0.3338000      0.8831000     ?             ?      
1 1 1 5  46 40 o 0.6693000      0.8631000     ?             ?      
1 1 1 5  46 41 o 2.334000       0.8945000     ?             ?      
1 1 1 5  46 42 o 0.6345000      1.115000      ?             ?      
1 1 1 5  46 43 o 1.435000       1.072000      ?             ?      
1 1 1 5  46 44 o 4.161000       0.7046000     ?             ?      
1 1 1 5  46 45 o -1.013000      0.8346000     ?             ?      
1 1 1 5  46 46 o -0.6272000     0.9634000     ?             ?      
1 1 1 5  46 47 o 0.2922000      0.7953000     ?             ?      
1 1 1 5  46 48 o -0.1728000E-01 1.017000      ?             ?      
1 1 1 5  46 49 o 0.4305000      1.178000      ?             ?      
1 1 1 5  46 50 o 1.407000       1.067000      ?             ?      
1 1 1 5  46 51 o 0.2990000      0.9252000     ?             ?      
1 1 1 5  46 52 o -0.2168000     0.9609000     ?             ?      
1 1 1 5  46 53 o 1.884000       1.035000      ?             ?      
1 1 1 5  46 54 o 1.422000       1.059000      ?             ?      
1 1 1 5  46 55 o 2.013000       1.056000      ?             ?      
1 1 1 5  46 56 o 2.363000       1.378000      ?             ?      
1 1 1 5  47 0  o 27.41000       1.544000      565.7222      -90.0  
1 1 1 5  47 1  o 1.235000       0.8379000     21.38937      73.1   
1 1 1 5  47 2  o 0.3501000      0.8915000     31.38376      159.4  
1 1 1 5  47 3  o 12.00000       1.056000      291.8504      17.4   
1 1 1 5  47 4  o 18.71000       1.038000      635.5535      -51.5  
1 1 1 5  47 5  o 3.827000       1.018000      256.2532      -81.0  
1 1 1 5  47 6  o 2.423000       1.033000      203.7143      -109.9 
1 1 1 5  47 7  o -1.063000      0.7776000     99.06888      148.8  
1 1 1 5  47 8  o 0.5551000      0.8129000     52.23676      -102.8 
1 1 1 5  47 9  o 12.34000       1.191000      420.3127      145.5  
1 1 1 5  47 10 o 2.606000       0.7313000     308.4970      -127.5 
1 1 1 5  47 11 o 2.927000       0.7457000     257.1917      -100.3 
1 1 1 5  47 12 o 0.8703000      1.765000      117.4264      60.3   
1 1 1 5  47 13 o 4.631000       1.758000      152.9711      -108.6 
1 1 1 5  47 14 o 15.65000       1.372000      486.2656      -123.4 
1 1 1 5  47 15 o 4.232000       1.249000      243.3310      12.4   
1 1 1 5  47 16 o 0.3000000      1.641000      132.2635      161.7  
1 1 1 5  47 17 o 7.098000       1.715000      244.4581      -128.0 
1 1 1 5  47 18 o 1.186000       1.702000      99.97424      -71.8  
1 1 1 5  47 19 o 5.847000       1.746000      260.6039      -109.4 
1 1 1 5  47 20 o 7.826000       1.829000      345.9478      -27.9  
1 1 1 5  47 21 o -1.198000      1.804000      134.2401      -70.1  
1 1 1 5  47 22 o 1.084000       1.816000      44.85754      -95.1  
1 1 1 5  47 23 o -2.297000      1.827000      83.04749      -82.0  
1 1 1 5  47 24 o 0.6442000      1.867000      123.3669      84.9   
1 1 1 5  47 25 o 3.390000       1.903000      81.44939      63.4   
1 1 1 5  47 26 o 0.1389000E-01  1.932000      105.8463      -138.5 
1 1 1 5  47 27 o 10.15000       2.904000      407.1575      55.8   
1 1 1 5  47 28 o -4.130000      4.068000      103.0954      -2.4   
1 1 1 5  47 29 o 2.725000       2.460000      200.0314      -129.5 
1 1 1 5  47 30 o 7.387000       2.051000      353.2552      48.8   
1 1 1 5  47 31 o -0.2117000E-01 1.986000      ?             ?      
1 1 1 5  47 32 o 0.5457000      1.990000      ?             ?      
1 1 1 5  47 33 o 3.321000       1.986000      ?             ?      
1 1 1 5  47 34 o -1.846000      1.953000      ?             ?      
1 1 1 5  47 35 o -0.3910000     1.909000      ?             ?      
1 1 1 5  47 36 f 6.021000       1.981000      ?             ?      
1 1 1 5  47 37 o 3.496000       1.938000      ?             ?      
1 1 1 5  47 38 o 3.102000       1.967000      ?             ?      
1 1 1 5  47 39 o -0.2584000     0.8468000     ?             ?      
1 1 1 5  47 40 o 1.038000       0.8612000     ?             ?      
1 1 1 5  47 41 o -0.8160000     0.8317000     ?             ?      
1 1 1 5  47 42 o 1.332000       0.9501000     ?             ?      
1 1 1 5  47 43 o 0.4861000      1.234000      ?             ?      
1 1 1 5  47 44 o -0.9706000     0.8714000     ?             ?      
1 1 1 5  47 45 o 1.115000       0.6172000     ?             ?      
1 1 1 5  47 46 o 1.330000       0.7894000     ?             ?      
1 1 1 5  47 47 o 1.522000       0.9403000     ?             ?      
1 1 1 5  47 48 o 1.737000       0.8092000     ?             ?      
1 1 1 5  47 49 o 0.7506000      1.011000      ?             ?      
1 1 1 5  47 50 o 1.467000       1.171000      ?             ?      
1 1 1 5  47 51 o -0.8378000     1.048000      ?             ?      
1 1 1 5  47 52 o -0.4257000E-01 0.9556000     ?             ?      
1 1 1 5  47 53 o 1.186000       0.9845000     ?             ?      
1 1 1 5  47 54 o 1.963000       1.022000      ?             ?      
1 1 1 5  48 0  o 14.96000       1.391000      542.7875      90.0   
1 1 1 5  48 1  o 5.444000       0.8944000     224.1308      -126.0 
1 1 1 5  48 2  o -1.163000      0.8523000     19.73118      -95.0  
1 1 1 5  48 3  o 8.492000       1.208000      503.6124      -31.2  
1 1 1 5  48 4  o 11.43000       0.9978000     480.3057      51.8   
1 1 1 5  48 5  o 2.587000       1.133000      125.8027      169.5  
1 1 1 5  48 6  o 2.119000       1.195000      157.8440      126.8  
1 1 1 5  48 7  o 3.760000       0.9279000     248.3777      -99.8  
1 1 1 5  48 8  o 12.67000       1.242000      403.9712      60.7   
1 1 1 5  48 9  o 4.021000       0.8370000     264.6264      -97.5  
1 1 1 5  48 10 o 1.235000       0.7141000     159.9293      -167.9 
1 1 1 5  48 11 o 1.953000       0.6755000     256.5930      -113.9 
1 1 1 5  48 12 o 2.007000       1.766000      79.28370      -41.3  
1 1 1 5  48 13 o 2.441000       1.228000      225.9733      -114.8 
1 1 1 5  48 14 o 8.879000       1.299000      365.4595      28.7   
1 1 1 5  48 15 o 7.996000       1.690000      201.3986      -114.8 
1 1 1 5  48 16 o 12.15000       1.781000      388.9661      -179.2 
1 1 1 5  48 17 o 1.477000       1.699000      83.05783      -89.1  
1 1 1 5  48 18 o 5.396000       1.756000      138.1064      -130.9 
1 1 1 5  48 19 o 4.957000       1.818000      324.1508      -40.0  
1 1 1 5  48 20 o 8.226000       1.881000      343.5217      -133.6 
1 1 1 5  48 21 o -0.6160000     1.841000      189.0688      -131.8 
1 1 1 5  48 22 o 10.40000       1.937000      389.5167      18.5   
1 1 1 5  48 23 o -1.893000      1.873000      153.6608      -148.2 
1 1 1 5  48 24 o 2.046000       1.910000      230.1197      -36.1  
1 1 1 5  48 25 o 3.284000       1.923000      228.0380      -171.5 
1 1 1 5  48 26 o 5.330000       2.450000      232.1820      54.6   
1 1 1 5  48 27 o 0.9846000      4.041000      73.56296      93.1   
1 1 1 5  48 28 o 0.4880000      2.866000      ?             ?      
1 1 1 5  48 29 o -0.6267000     1.970000      ?             ?      
1 1 1 5  48 30 o 8.207000       2.043000      ?             ?      
1 1 1 5  48 31 o -1.491000      1.935000      ?             ?      
1 1 1 5  48 32 o 5.143000       1.982000      ?             ?      
1 1 1 5  48 33 o 3.728000       1.946000      ?             ?      
1 1 1 5  48 34 o -1.067000      1.902000      ?             ?      
1 1 1 5  48 35 o 0.6178000      1.911000      ?             ?      
1 1 1 5  48 36 o -0.4802000     1.884000      ?             ?      
1 1 1 5  48 37 o 2.437000       1.918000      ?             ?      
1 1 1 5  48 38 o -1.302000      1.937000      ?             ?      
1 1 1 5  48 39 o 5.405000       1.974000      ?             ?      
1 1 1 5  48 40 o 0.5457000      1.941000      ?             ?      
1 1 1 5  48 41 o 0.1826000      0.8628000     ?             ?      
1 1 1 5  48 42 o 3.434000       0.9458000     ?             ?      
1 1 1 5  48 43 o 3.123000       0.9332000     ?             ?      
1 1 1 5  48 44 o 0.6739000      0.8909000     ?             ?      
1 1 1 5  48 45 o -0.8578000     1.062000      ?             ?      
1 1 1 5  48 46 o 1.433000       0.8825000     ?             ?      
1 1 1 5  48 47 f 1.398000       0.7506000     ?             ?      
1 1 1 5  48 48 o 0.6396000E-02  0.8245000     ?             ?      
1 1 1 5  48 49 o 1.384000       0.8852000     ?             ?      
1 1 1 5  48 50 o -1.210000      0.8165000     ?             ?      
1 1 1 5  48 51 o 2.550000       1.195000      ?             ?      
1 1 1 5  48 52 o -0.2165000     1.099000      ?             ?      
1 1 1 5  48 53 o 1.317000       1.286000      ?             ?      
1 1 1 5  49 0  o -1.723000      1.275000      74.92130      90.0   
1 1 1 5  49 1  o 1.639000       0.9025000     171.0909      110.8  
1 1 1 5  49 2  o 9.412000       0.9924000     492.9344      33.5   
1 1 1 5  49 3  o 0.8578000      1.026000      117.1604      -32.2  
1 1 1 5  49 4  o 4.092000       1.227000      193.3174      150.0  
1 1 1 5  49 5  o 4.032000       1.293000      352.4525      -138.6 
1 1 1 5  49 6  o 8.236000       1.352000      385.2495      16.4   
1 1 1 5  49 7  o 0.6222000      1.037000      197.6096      -76.5  
1 1 1 5  49 8  o 9.175000       0.9757000     357.8329      -17.5  
1 1 1 5  49 9  o 3.635000       0.7263000     304.4697      -132.5 
1 1 1 5  49 10 o 2.877000       0.6474000     185.9337      -100.5 
1 1 1 5  49 11 o 6.542000       0.5942000     392.5911      117.4  
1 1 1 5  49 12 o 9.890000       1.907000      400.0547      -21.9  
1 1 1 5  49 13 o 12.47000       1.457000      318.8523      -130.9 
1 1 1 5  49 14 o 0.5045000      1.256000      28.83468      -133.4 
1 1 1 5  49 15 o 1.090000       1.687000      181.6145      -168.4 
1 1 1 5  49 16 o 2.708000       1.745000      104.7463      -92.0  
1 1 1 5  49 17 o 13.14000       1.849000      445.0608      -25.1  
1 1 1 5  49 18 o -3.614000      1.764000      176.5604      48.0   
1 1 1 5  49 19 o 2.753000       1.805000      203.9865      -60.1  
1 1 1 5  49 20 o 14.29000       1.950000      514.3685      -6.0   
1 1 1 5  49 21 f 7.678000       1.919000      354.6081      -53.6  
1 1 1 5  49 22 o 3.397000       1.877000      199.4601      2.8    
1 1 1 5  49 23 o 9.559000       1.921000      362.4497      66.2   
1 1 1 5  49 24 o 5.764000       1.915000      326.8810      -61.7  
1 1 1 5  49 25 o 2.102000       2.349000      213.8603      77.5   
1 1 1 5  49 26 o 10.54000       2.926000      ?             ?      
1 1 1 5  49 27 o 4.635000       4.135000      ?             ?      
1 1 1 5  49 28 o 0.3469000      2.396000      ?             ?      
1 1 1 5  49 29 o 5.931000       1.929000      ?             ?      
1 1 1 5  49 30 o 1.846000       1.909000      ?             ?      
1 1 1 5  49 31 o 1.243000       1.875000      ?             ?      
1 1 1 5  49 32 o 1.162000       1.886000      ?             ?      
1 1 1 5  49 33 o 1.825000       1.887000      ?             ?      
1 1 1 5  49 34 o 9.865000       1.942000      ?             ?      
1 1 1 5  49 35 o 4.537000       1.876000      ?             ?      
1 1 1 5  49 36 o 0.9003000      1.847000      ?             ?      
1 1 1 5  49 37 o 3.171000       1.907000      ?             ?      
1 1 1 5  49 38 o -1.501000      1.917000      ?             ?      
1 1 1 5  49 39 o 0.8936000      1.914000      ?             ?      
1 1 1 5  49 40 o 0.1079000      1.920000      ?             ?      
1 1 1 5  49 41 o 1.997000       2.599000      ?             ?      
1 1 1 5  49 42 o -5.353000      4.194000      ?             ?      
1 1 1 5  49 43 o 0.9179000      0.9070000     ?             ?      
1 1 1 5  49 44 o -0.1007000     0.8284000     ?             ?      
1 1 1 5  49 45 o 0.2210000      0.8710000     ?             ?      
1 1 1 5  49 46 o 1.237000       1.073000      ?             ?      
1 1 1 5  49 47 o 0.6064000      0.8684000     ?             ?      
1 1 1 5  49 48 o 1.899000       0.9344000     ?             ?      
1 1 1 5  49 49 o 0.3721000      0.8104000     ?             ?      
1 1 1 5  49 50 o -0.2091000     0.8949000     ?             ?      
1 1 1 5  49 51 o 1.018000       0.8124000     ?             ?      
1 1 1 5  49 52 o 0.1638000      1.069000      ?             ?      
1 1 1 5  50 0  o 1.336000       1.799000      85.49218      90.0   
1 1 1 5  50 1  o 3.141000       1.108000      250.1908      -117.5 
1 1 1 5  50 2  o 6.140000       1.153000      408.3148      5.2    
1 1 1 5  50 3  o 2.036000       1.011000      118.7803      143.2  
1 1 1 5  50 4  o 7.909000       1.337000      382.6613      120.9  
1 1 1 5  50 5  o 3.546000       1.044000      206.7257      -169.4 
1 1 1 5  50 6  o 5.495000       1.088000      183.1832      -37.1  
1 1 1 5  50 7  o 14.16000       1.099000      582.5804      93.6   
1 1 1 5  50 8  o -0.2878000     0.7605000     96.03574      174.6  
1 1 1 5  50 9  o -0.8886000     0.6956000     119.4312      -144.4 
1 1 1 5  50 10 o -0.9597000     0.6517000     101.4695      -81.1  
1 1 1 5  50 11 o 2.295000       0.6628000     345.8620      -80.2  
1 1 1 5  50 12 o 8.670000       1.926000      370.6440      -124.4 
1 1 1 5  50 13 o -0.5502000     1.265000      70.58440      130.3  
1 1 1 5  50 14 o 4.702000       1.305000      227.1813      -75.5  
1 1 1 5  50 15 o 12.53000       1.831000      464.9865      -157.2 
1 1 1 5  50 16 o 5.970000       1.787000      233.1518      166.3  
1 1 1 5  50 17 o 0.9224000      1.779000      185.8315      176.6  
1 1 1 5  50 18 o 8.024000       1.838000      318.1609      -154.2 
1 1 1 5  50 19 o 4.451000       1.830000      336.5151      46.8   
1 1 1 5  50 20 o 14.21000       1.956000      514.5970      119.6  
1 1 1 5  50 21 o 3.679000       1.914000      317.5305      -65.5  
1 1 1 5  50 22 o 15.67000       2.002000      532.1729      49.3   
1 1 1 5  50 23 o 1.931000       1.853000      ?             ?      
1 1 1 5  50 24 o 0.3852000      1.854000      ?             ?      
1 1 1 5  50 25 o 1.705000       2.244000      ?             ?      
1 1 1 5  50 26 o 1.144000       3.738000      ?             ?      
1 1 1 5  50 27 o 5.031000       2.459000      ?             ?      
1 1 1 5  50 28 o 3.104000       1.882000      ?             ?      
1 1 1 5  50 29 o 4.269000       1.877000      ?             ?      
1 1 1 5  50 30 o -0.7213000     1.834000      ?             ?      
1 1 1 5  50 31 o -3.827000      1.831000      ?             ?      
1 1 1 5  50 32 o 1.015000       1.836000      ?             ?      
1 1 1 5  50 33 o 1.148000       1.836000      ?             ?      
1 1 1 5  50 34 o 5.693000       1.887000      ?             ?      
1 1 1 5  50 35 o -0.6003000     1.859000      ?             ?      
1 1 1 5  50 36 o 1.114000       1.885000      ?             ?      
1 1 1 5  50 37 o 2.651000       1.880000      ?             ?      
1 1 1 5  50 38 o 0.7031000      1.899000      ?             ?      
1 1 1 5  50 39 o -4.750000      1.909000      ?             ?      
1 1 1 5  50 40 o -0.6618000     2.312000      ?             ?      
1 1 1 5  50 41 o 2.699000       3.996000      ?             ?      
1 1 1 5  50 42 o 4.211000       2.960000      ?             ?      
1 1 1 5  50 43 o -0.3011000     1.953000      ?             ?      
1 1 1 5  50 44 o 1.045000       1.499000      ?             ?      
1 1 1 5  50 45 o 0.2438000      0.8577000     ?             ?      
1 1 1 5  50 46 o -0.5983000     0.8400000     ?             ?      
1 1 1 5  50 47 o -0.5437000     0.8959000     ?             ?      
1 1 1 5  50 48 o 1.991000       1.664000      ?             ?      
1 1 1 5  50 49 o 0.6890000      0.8868000     ?             ?      
1 1 1 5  50 50 o 1.476000       1.522000      ?             ?      
1 1 1 5  50 51 o 1.100000       0.9409000     ?             ?      
1 1 1 5  51 0  o 1.905000       1.427000      302.1768      90.0   
1 1 1 5  51 1  o 6.077000       1.263000      278.6151      -149.5 
1 1 1 5  51 2  o 3.459000       1.627000      198.2477      -72.7  
1 1 1 5  51 3  o 9.137000       1.155000      456.3403      -160.6 
1 1 1 5  51 4  o 0.9113000      1.203000      248.0409      -60.6  
1 1 1 5  51 5  o 20.00000       1.470000      594.3708      -52.0  
1 1 1 5  51 6  o 8.628000       1.131000      426.0746      -129.9 
1 1 1 5  51 7  o 1.441000       1.045000      331.5057      -101.2 
1 1 1 5  51 8  o 5.272000       0.9378000     396.2137      176.7  
1 1 1 5  51 9  o 1.132000       0.7352000     67.53915      -84.6  
1 1 1 5  51 10 o 5.071000       0.6770000     425.7867      22.9   
1 1 1 5  51 11 o -0.1269000     0.6464000     89.28201      160.5  
1 1 1 5  51 12 o 0.2306000      1.400000      175.1873      100.6  
1 1 1 5  51 13 o 10.05000       1.456000      347.0234      -32.0  
1 1 1 5  51 14 o 0.4642000      1.270000      146.4692      26.4   
1 1 1 5  51 15 o 1.675000       1.732000      313.3367      -118.4 
1 1 1 5  51 16 o 4.584000       1.759000      278.4787      -66.4  
1 1 1 5  51 17 o 3.472000       1.784000      378.6202      -2.5   
1 1 1 5  51 18 o 3.019000       1.811000      310.4963      -179.2 
1 1 1 5  51 19 o 9.831000       1.884000      364.4741      -30.7  
1 1 1 5  51 20 o 9.359000       1.919000      ?             ?      
1 1 1 5  51 21 o -0.1311000     1.862000      ?             ?      
1 1 1 5  51 22 o 5.840000       1.883000      ?             ?      
1 1 1 5  51 23 o 5.259000       1.873000      ?             ?      
1 1 1 5  51 24 o -2.479000      2.174000      ?             ?      
1 1 1 5  51 25 o -6.607000      3.561000      ?             ?      
1 1 1 5  51 26 o 9.028000       4.075000      ?             ?      
1 1 1 5  51 27 o 5.931000       2.392000      ?             ?      
1 1 1 5  51 28 o 9.260000       1.957000      ?             ?      
1 1 1 5  51 29 o 1.951000       1.856000      ?             ?      
1 1 1 5  51 30 o 1.304000       1.839000      ?             ?      
1 1 1 5  51 31 o 4.497000       1.878000      ?             ?      
1 1 1 5  51 32 o 3.569000       1.872000      ?             ?      
1 1 1 5  51 33 o 0.4286000      1.882000      ?             ?      
1 1 1 5  51 34 o 8.419000       1.939000      ?             ?      
1 1 1 5  51 35 o -1.948000      1.842000      ?             ?      
1 1 1 5  51 36 o -1.224000      1.861000      ?             ?      
1 1 1 5  51 37 o 1.041000       1.902000      ?             ?      
1 1 1 5  51 38 o 3.215000       1.921000      ?             ?      
1 1 1 5  51 39 o -1.041000      2.316000      ?             ?      
1 1 1 5  51 40 o 1.415000       2.607000      ?             ?      
1 1 1 5  51 41 o -1.569000      4.161000      ?             ?      
1 1 1 5  51 42 o 1.763000       2.456000      ?             ?      
1 1 1 5  51 43 o 1.139000       1.964000      ?             ?      
1 1 1 5  51 44 o 2.630000       2.000000      ?             ?      
1 1 1 5  51 45 o 1.795000       2.032000      ?             ?      
1 1 1 5  51 46 o -0.4489000     1.561000      ?             ?      
1 1 1 5  51 47 o 3.230000       0.9288000     ?             ?      
1 1 1 5  51 48 o 1.256000       0.9326000     ?             ?      
1 1 1 5  51 49 o 0.7150000      1.137000      ?             ?      
1 1 1 5  51 50 < 0.000000       -1.000000     ?             ?      
1 1 1 5  52 0  o 26.78000       1.702000      669.7323      -90.0  
1 1 1 5  52 1  o -1.319000      0.9755000     119.4155      62.2   
1 1 1 5  52 2  o 1.919000       1.038000      204.9305      17.7   
1 1 1 5  52 3  o 1.490000       1.032000      290.7720      93.8   
1 1 1 5  52 4  o 4.231000       1.239000      309.0891      -122.1 
1 1 1 5  52 5  o -1.563000      1.196000      61.37027      -15.6  
1 1 1 5  52 6  o 2.439000       1.144000      299.1165      17.3   
1 1 1 5  52 7  o -0.7318000     1.139000      138.3743      -4.6   
1 1 1 5  52 8  o 8.303000       0.9948000     579.8822      -112.0 
1 1 1 5  52 9  o 12.86000       1.037000      467.1573      -106.1 
1 1 1 5  52 10 o 11.41000       0.7655000     578.9128      -103.4 
1 1 1 5  52 11 o 1.719000       0.6311000     132.6501      -159.2 
1 1 1 5  52 12 o 8.825000       1.460000      391.7944      -168.1 
1 1 1 5  52 13 o 8.414000       1.434000      541.3130      151.5  
1 1 1 5  52 14 o 3.568000       1.710000      228.3614      -15.5  
1 1 1 5  52 15 o 2.820000       1.717000      300.4387      -129.5 
1 1 1 5  52 16 o 11.24000       1.802000      ?             ?      
1 1 1 5  52 17 o 6.717000       1.785000      ?             ?      
1 1 1 5  52 18 o 4.829000       1.812000      ?             ?      
1 1 1 5  52 19 o 15.85000       1.947000      ?             ?      
1 1 1 5  52 20 f 0.4282000      1.812000      ?             ?      
1 1 1 5  52 21 o 4.187000       1.851000      ?             ?      
1 1 1 5  52 22 o 6.709000       1.848000      ?             ?      
1 1 1 5  52 23 o 5.902000       1.865000      ?             ?      
1 1 1 5  52 24 o 6.934000       2.231000      ?             ?      
1 1 1 5  52 25 o 9.920000       3.699000      ?             ?      
1 1 1 5  52 26 o -0.6344000     2.634000      ?             ?      
1 1 1 5  52 27 o 5.111000       1.895000      ?             ?      
1 1 1 5  52 28 o 2.006000       1.854000      ?             ?      
1 1 1 5  52 29 o 4.138000       1.852000      ?             ?      
1 1 1 5  52 30 o 6.415000       1.892000      ?             ?      
1 1 1 5  52 31 o -1.206000      1.840000      ?             ?      
1 1 1 5  52 32 o 3.506000       2.342000      ?             ?      
1 1 1 5  52 33 o 9.493000       1.980000      ?             ?      
1 1 1 5  52 34 o 1.840000       1.856000      ?             ?      
1 1 1 5  52 35 o -0.3493000     1.874000      ?             ?      
1 1 1 5  52 36 o 1.461000       1.896000      ?             ?      
1 1 1 5  52 37 o 2.008000       1.904000      ?             ?      
1 1 1 5  52 38 o 3.611000       1.938000      ?             ?      
1 1 1 5  52 39 o 1.318000       2.331000      ?             ?      
1 1 1 5  52 40 o -5.958000      3.947000      ?             ?      
1 1 1 5  52 41 o -5.582000      2.515000      ?             ?      
1 1 1 5  52 42 o 1.919000       1.959000      ?             ?      
1 1 1 5  52 43 o 2.566000       2.013000      ?             ?      
1 1 1 5  52 44 o 2.481000       2.368000      ?             ?      
1 1 1 5  52 45 o -9.673000      4.001000      ?             ?      
1 1 1 5  52 46 o -0.7514000     2.427000      ?             ?      
1 1 1 5  52 47 o -2.266000      2.770000      ?             ?      
1 1 1 5  52 48 o 4.234000       2.485000      ?             ?      
1 1 1 5  53 0  o 2.309000       1.381000      286.1110      -90.0  
1 1 1 5  53 1  o 15.66000       1.090000      567.9064      144.4  
1 1 1 5  53 2  o 13.10000       1.061000      612.3649      -133.9 
1 1 1 5  53 3  o 0.1994000      0.9474000     181.3685      -64.9  
1 1 1 5  53 4  o 5.108000       1.154000      311.1574      -87.5  
1 1 1 5  53 5  f 0.9127000      1.020000      230.9320      -123.3 
1 1 1 5  53 6  o -0.3380000     1.016000      82.17920      -165.0 
1 1 1 5  53 7  o 12.32000       1.231000      632.5229      15.8   
1 1 1 5  53 8  o 4.545000       1.039000      353.4067      -90.9  
1 1 1 5  53 9  o 21.29000       1.224000      706.7261      -52.3  
1 1 1 5  53 10 o 3.749000       0.6670000     340.4644      0.9    
1 1 1 5  53 11 o 1.060000       0.5953000     ?             ?      
1 1 1 5  53 12 o 1.190000       1.308000      ?             ?      
1 1 1 5  53 13 o 11.92000       1.490000      ?             ?      
1 1 1 5  53 14 o 5.575000       1.711000      ?             ?      
1 1 1 5  53 15 o 1.068000       1.704000      ?             ?      
1 1 1 5  53 16 o 11.98000       1.834000      ?             ?      
1 1 1 5  53 17 o 0.1268000      1.719000      ?             ?      
1 1 1 5  53 18 o 4.191000       1.767000      ?             ?      
1 1 1 5  53 19 o 1.148000       1.787000      ?             ?      
1 1 1 5  53 20 o -0.3977000     1.770000      ?             ?      
1 1 1 5  53 21 o 10.86000       1.875000      ?             ?      
1 1 1 5  53 22 o -0.6844000     1.760000      ?             ?      
1 1 1 5  53 23 o 0.8826000      2.089000      ?             ?      
1 1 1 5  53 24 o -3.040000      3.325000      ?             ?      
1 1 1 5  53 25 o -1.743000      3.895000      ?             ?      
1 1 1 5  53 26 o 4.324000       2.407000      ?             ?      
1 1 1 5  53 27 o 1.395000       1.796000      ?             ?      
1 1 1 5  53 28 o 2.337000       1.829000      ?             ?      
1 1 1 5  53 29 o 4.318000       1.872000      ?             ?      
1 1 1 5  53 30 o -1.323000      1.824000      ?             ?      
1 1 1 5  53 31 o 2.092000       1.860000      ?             ?      
1 1 1 5  53 32 o 1.705000       1.865000      ?             ?      
1 1 1 5  53 33 o 3.583000       1.872000      ?             ?      
1 1 1 5  53 34 o 0.2576000      1.851000      ?             ?      
1 1 1 5  53 35 o 7.120000       1.950000      ?             ?      
1 1 1 5  53 36 o -0.3742000     1.877000      ?             ?      
1 1 1 5  53 37 o 7.862000       1.969000      ?             ?      
1 1 1 5  53 38 o -0.7240000     2.313000      ?             ?      
1 1 1 5  53 39 o -0.6115000     3.784000      ?             ?      
1 1 1 5  53 40 o 2.620000       3.052000      ?             ?      
1 1 1 5  53 41 o -2.019000      2.005000      ?             ?      
1 1 1 5  53 42 o 2.130000       2.389000      ?             ?      
1 1 1 5  53 43 o 2.114000       2.415000      ?             ?      
1 1 1 5  53 44 o 1.730000       2.422000      ?             ?      
1 1 1 5  53 45 o -0.4064000     2.428000      ?             ?      
1 1 1 5  53 46 o 3.101000       2.444000      ?             ?      
1 1 1 5  53 47 o 0.5153000      3.957000      ?             ?      
1 1 1 5  54 0  o 8.739000       1.433000      ?             ?      
1 1 1 5  54 1  o 0.9229000E-01  0.9722000     ?             ?      
1 1 1 5  54 2  o 1.861000       0.9514000     ?             ?      
1 1 1 5  54 3  o 6.150000       0.9491000     ?             ?      
1 1 1 5  54 4  o 7.551000       1.139000      ?             ?      
1 1 1 5  54 5  o 0.9176000      0.9619000     ?             ?      
1 1 1 5  54 6  o 2.031000       0.8638000     ?             ?      
1 1 1 5  54 7  o 3.247000       1.060000      ?             ?      
1 1 1 5  54 8  o -1.015000      0.9723000     ?             ?      
1 1 1 5  54 9  o -0.1965000     0.7458000     ?             ?      
1 1 1 5  54 10 o 1.702000       0.6112000     ?             ?      
1 1 1 5  54 11 o 6.659000       1.892000      ?             ?      
1 1 1 5  54 12 o 10.86000       1.497000      ?             ?      
1 1 1 5  54 13 o -0.3157000     1.730000      ?             ?      
1 1 1 5  54 14 o 3.525000       2.263000      ?             ?      
1 1 1 5  54 15 o 10.82000       2.069000      ?             ?      
1 1 1 5  54 16 o 7.554000       2.025000      ?             ?      
1 1 1 5  54 17 o -3.663000      1.680000      ?             ?      
1 1 1 5  54 18 o 6.249000       1.713000      ?             ?      
1 1 1 5  54 19 o 2.212000       1.709000      ?             ?      
1 1 1 5  54 20 o 2.564000       1.738000      ?             ?      
1 1 1 5  54 21 o 1.855000       1.752000      ?             ?      
1 1 1 5  54 22 o -1.099000      1.727000      ?             ?      
1 1 1 5  54 23 o 0.1545000      2.071000      ?             ?      
1 1 1 5  54 24 o -3.625000      3.469000      ?             ?      
1 1 1 5  54 25 o 5.769000       2.390000      ?             ?      
1 1 1 5  54 26 o 0.2290000      1.797000      ?             ?      
1 1 1 5  54 27 o 0.6939000      1.780000      ?             ?      
1 1 1 5  54 28 o -2.034000      1.782000      ?             ?      
1 1 1 5  54 29 o 0.1216000      1.802000      ?             ?      
1 1 1 5  54 30 o 4.733000       1.850000      ?             ?      
1 1 1 5  54 31 o 2.764000       1.843000      ?             ?      
1 1 1 5  54 32 o 1.899000       1.835000      ?             ?      
1 1 1 5  54 33 o -0.8303000     1.838000      ?             ?      
1 1 1 5  54 34 f 1.284000       1.884000      ?             ?      
1 1 1 5  54 35 o 2.357000       1.904000      ?             ?      
1 1 1 5  54 36 o 1.836000       1.894000      ?             ?      
1 1 1 5  54 37 o -2.847000      1.902000      ?             ?      
1 1 1 5  54 38 o 2.123000       2.551000      ?             ?      
1 1 1 5  54 40 o -2.859000      2.656000      ?             ?      
1 1 1 5  54 41 o -0.9310000     2.377000      ?             ?      
1 1 1 5  54 42 o 0.9176000      2.409000      ?             ?      
1 1 1 5  54 43 o 1.320000       2.398000      ?             ?      
1 1 1 5  54 44 o 2.272000       2.452000      ?             ?      
1 1 1 5  54 45 o 2.576000       2.483000      ?             ?      
1 1 1 5  55 0  o 5.161000       1.327000      ?             ?      
1 1 1 5  55 1  o 5.217000       0.9587000     ?             ?      
1 1 1 5  55 2  o 8.329000       0.9663000     ?             ?      
1 1 1 5  55 3  o 2.556000       0.9093000     ?             ?      
1 1 1 5  55 4  o 8.886000       1.138000      ?             ?      
1 1 1 5  55 5  o 1.899000       0.9460000     ?             ?      
1 1 1 5  55 6  o 0.6550000      0.8004000     ?             ?      
1 1 1 5  55 7  o 0.3590000      1.004000      ?             ?      
1 1 1 5  55 8  o 2.096000       1.087000      ?             ?      
1 1 1 5  55 9  o 9.602000       0.8941000     ?             ?      
1 1 1 5  55 10 o 0.6990000      0.5689000     ?             ?      
1 1 1 5  55 11 o 3.762000       1.362000      ?             ?      
1 1 1 5  55 12 o 1.454000       1.263000      ?             ?      
1 1 1 5  55 13 o -0.1513000     1.241000      ?             ?      
1 1 1 5  55 14 o -1.660000      2.072000      ?             ?      
1 1 1 5  55 15 o 3.890000       2.184000      ?             ?      
1 1 1 5  55 16 o 1.582000       2.261000      ?             ?      
1 1 1 5  55 17 o -1.618000      1.958000      ?             ?      
1 1 1 5  55 18 o 0.1801000      2.209000      ?             ?      
1 1 1 5  55 19 o -0.8704000     1.943000      ?             ?      
1 1 1 5  55 20 o -0.2998000E-01 1.995000      ?             ?      
1 1 1 5  55 21 o -0.4615000     1.703000      ?             ?      
1 1 1 5  55 22 o -0.2825000     2.088000      ?             ?      
1 1 1 5  55 23 o 0.3994000E-01  3.459000      ?             ?      
1 1 1 5  55 24 o -6.945000      3.758000      ?             ?      
1 1 1 5  55 25 o 11.39000       2.408000      ?             ?      
1 1 1 5  55 26 o -0.5838000     1.767000      ?             ?      
1 1 1 5  55 27 o 2.973000       2.446000      ?             ?      
1 1 1 5  55 28 o 1.776000       1.795000      ?             ?      
1 1 1 5  55 29 o -1.270000      2.172000      ?             ?      
1 1 1 5  55 30 o 1.010000       1.793000      ?             ?      
1 1 1 5  55 31 o -2.253000      1.820000      ?             ?      
1 1 1 5  55 32 o -0.4174000     1.837000      ?             ?      
1 1 1 5  55 33 o 0.3126000      1.848000      ?             ?      
1 1 1 5  55 34 o 4.048000       1.907000      ?             ?      
1 1 1 5  55 35 o 1.569000       1.894000      ?             ?      
1 1 1 5  55 36 o -1.720000      1.879000      ?             ?      
1 1 1 5  55 37 o 0.3266000      2.306000      ?             ?      
1 1 1 5  55 38 o 1.608000       3.923000      ?             ?      
1 1 1 5  55 39 o 0.6617000      4.227000      ?             ?      
1 1 1 5  55 40 o -5.833000      4.085000      ?             ?      
1 1 1 5  55 41 o 4.324000       4.025000      ?             ?      
1 1 1 5  55 42 o 2.483000       2.495000      ?             ?      
1 1 1 5  55 43 o 0.4615000      2.427000      ?             ?      
1 1 1 5  55 44 o 4.628000       2.501000      ?             ?      
1 1 1 5  56 0  o 1.494000       1.250000      ?             ?      
1 1 1 5  56 1  o 1.558000       0.8941000     ?             ?      
1 1 1 5  56 2  o 4.702000       0.9163000     ?             ?      
1 1 1 5  56 3  o -0.6668000E-01 0.8841000     ?             ?      
1 1 1 5  56 4  o -0.4566000     0.9731000     ?             ?      
1 1 1 5  56 5  o 1.081000       0.9442000     ?             ?      
1 1 1 5  56 6  o 1.407000       0.8080000     ?             ?      
1 1 1 5  56 7  o 6.337000       1.096000      ?             ?      
1 1 1 5  56 8  o 2.534000       1.014000      ?             ?      
1 1 1 5  56 9  o 2.160000       0.6593000     ?             ?      
1 1 1 5  56 10 o 0.2730000      0.5376000     ?             ?      
1 1 1 5  56 11 o 4.349000       1.366000      ?             ?      
1 1 1 5  56 12 o 1.906000       1.257000      ?             ?      
1 1 1 5  56 13 o -1.338000      1.195000      ?             ?      
1 1 1 5  56 14 o -0.1050000     1.615000      ?             ?      
1 1 1 5  56 15 o 4.902000       1.688000      ?             ?      
1 1 1 5  56 16 o 0.1817000      2.057000      ?             ?      
1 1 1 5  56 17 o -0.2410000     2.048000      ?             ?      
1 1 1 5  56 18 o -0.3235000     2.137000      ?             ?      
1 1 1 5  56 19 o -2.923000      2.225000      ?             ?      
1 1 1 5  56 20 o 4.541000       2.298000      ?             ?      
1 1 1 5  56 21 o 1.840000       2.059000      ?             ?      
1 1 1 5  56 22 o 0.1675000      2.304000      ?             ?      
1 1 1 5  56 23 o -5.543000      3.392000      ?             ?      
1 1 1 5  56 24 o 3.556000       2.595000      ?             ?      
1 1 1 5  56 25 o -2.076000      1.782000      ?             ?      
1 1 1 5  56 26 o 0.7740000      1.793000      ?             ?      
1 1 1 5  56 27 o 1.786000       1.820000      ?             ?      
1 1 1 5  56 28 o -0.5011000     1.817000      ?             ?      
1 1 1 5  56 29 o 4.850000       1.854000      ?             ?      
1 1 1 5  56 30 o 0.8575000      1.837000      ?             ?      
1 1 1 5  56 31 o 0.9702000      1.834000      ?             ?      
1 1 1 5  56 32 o 1.882000       1.858000      ?             ?      
1 1 1 5  56 33 o 0.3460000      1.873000      ?             ?      
1 1 1 5  56 34 f 3.158000       2.315000      ?             ?      
1 1 1 5  56 35 o 2.353000       2.292000      ?             ?      
1 1 1 5  56 36 o 0.8843000      2.281000      ?             ?      
1 1 1 5  56 37 o 5.963000       2.737000      ?             ?      
1 1 1 5  56 39 o -0.8083000     2.704000      ?             ?      
1 1 1 5  56 40 o 1.372000       2.392000      ?             ?      
1 1 1 5  56 41 o -0.7247000     2.409000      ?             ?      
1 1 1 5  56 42 o -0.5155000E-01 2.419000      ?             ?      
1 1 1 5  57 0  o 1.033000       1.236000      ?             ?      
1 1 1 5  57 1  o 0.6762000      0.8728000     ?             ?      
1 1 1 5  57 2  o 1.236000       0.8705000     ?             ?      
1 1 1 5  57 3  o -0.2104000     0.8487000     ?             ?      
1 1 1 5  57 4  o 4.576000       1.036000      ?             ?      
1 1 1 5  57 5  o 3.083000       1.032000      ?             ?      
1 1 1 5  57 6  o 3.375000       0.7972000     ?             ?      
1 1 1 5  57 7  o 0.1273000      1.043000      ?             ?      
1 1 1 5  57 8  o 0.7392000      1.023000      ?             ?      
1 1 1 5  57 9  o 0.4906000      0.6160000     ?             ?      
1 1 1 5  57 10 o 2.086000       0.5225000     ?             ?      
1 1 1 5  57 11 o 3.693000       1.352000      ?             ?      
1 1 1 5  57 12 o 0.2209000      1.222000      ?             ?      
1 1 1 5  57 13 o -2.843000      1.594000      ?             ?      
1 1 1 5  57 14 o 0.6908000      1.202000      ?             ?      
1 1 1 5  57 15 o -0.6050000     1.602000      ?             ?      
1 1 1 5  57 16 o 5.866000       1.655000      ?             ?      
1 1 1 5  57 17 o 2.463000       1.631000      ?             ?      
1 1 1 5  57 18 o -2.981000      1.654000      ?             ?      
1 1 1 5  57 19 o -0.6880000E-01 2.121000      ?             ?      
1 1 1 5  57 20 o 5.364000       2.171000      ?             ?      
1 1 1 5  57 21 o -3.990000      2.431000      ?             ?      
1 1 1 5  57 24 o 6.129000       2.515000      ?             ?      
1 1 1 5  57 25 o 1.181000       2.164000      ?             ?      
1 1 1 5  57 26 o 0.3100000      2.384000      ?             ?      
1 1 1 5  57 27 o 1.357000       2.107000      ?             ?      
1 1 1 5  57 28 o -2.196000      2.137000      ?             ?      
1 1 1 5  57 29 o -0.7839000     1.886000      ?             ?      
1 1 1 5  57 30 o -1.418000      1.856000      ?             ?      
1 1 1 5  57 31 o 3.726000       1.895000      ?             ?      
1 1 1 5  57 32 o 2.305000       2.243000      ?             ?      
1 1 1 5  57 33 o -0.2078000     2.233000      ?             ?      
1 1 1 5  57 34 f -0.4937000     2.279000      ?             ?      
1 1 1 5  57 35 o 7.942000       2.393000      ?             ?      
1 1 1 5  57 36 o -0.9018000     2.375000      ?             ?      
1 1 1 5  57 37 o -2.307000      3.929000      ?             ?      
1 1 1 5  57 38 o 0.6149000      4.315000      ?             ?      
1 1 1 5  57 39 o 3.637000       2.438000      ?             ?      
1 1 1 5  57 40 o 0.9230000      2.427000      ?             ?      
1 1 1 5  58 0  o 5.665000       1.294000      ?             ?      
1 1 1 5  58 1  o -0.1879000     0.8615000     ?             ?      
1 1 1 5  58 2  o -0.8564000     0.8546000     ?             ?      
1 1 1 5  58 3  o -0.6804000     0.8272000     ?             ?      
1 1 1 5  58 4  o 2.490000       1.015000      ?             ?      
1 1 1 5  58 5  o -0.1485000     1.014000      ?             ?      
1 1 1 5  58 6  o 0.3677000E-02  0.7693000     ?             ?      
1 1 1 5  58 7  o 2.969000       1.112000      ?             ?      
1 1 1 5  58 8  o 0.4142000      0.8073000     ?             ?      
1 1 1 5  58 9  o 0.6199000      0.5887000     ?             ?      
1 1 1 5  58 10 o 1.210000       0.5011000     ?             ?      
1 1 1 5  58 11 o -1.855000      1.297000      ?             ?      
1 1 1 5  58 12 o 1.337000       1.239000      ?             ?      
1 1 1 5  58 13 o 4.630000       1.608000      ?             ?      
1 1 1 5  58 14 o 2.306000       1.586000      ?             ?      
1 1 1 5  58 15 o 1.376000       1.589000      ?             ?      
1 1 1 5  58 16 o -0.2694000     1.604000      ?             ?      
1 1 1 5  58 17 o 0.7289000      1.641000      ?             ?      
1 1 1 5  58 18 o 10.05000       1.770000      ?             ?      
1 1 1 5  58 19 o 2.254000       1.721000      ?             ?      
1 1 1 5  58 20 o 1.488000       1.722000      ?             ?      
1 1 1 5  58 21 o 1.583000       2.068000      ?             ?      
1 1 1 5  58 22 o 3.275000       3.474000      ?             ?      
1 1 1 5  58 23 o 8.051000       4.111000      ?             ?      
1 1 1 5  58 24 o 1.982000       2.359000      ?             ?      
1 1 1 5  58 25 o 0.1765000      2.303000      ?             ?      
1 1 1 5  58 26 o 4.503000       2.492000      ?             ?      
1 1 1 5  58 27 o -0.6343000     2.524000      ?             ?      
1 1 1 5  58 28 o 2.166000       2.577000      ?             ?      
1 1 1 5  58 29 o 0.4631000      2.269000      ?             ?      
1 1 1 5  58 30 o 1.682000       2.507000      ?             ?      
1 1 1 5  58 31 o 0.4053000      2.478000      ?             ?      
1 1 1 5  58 32 o 0.4470000      2.548000      ?             ?      
1 1 1 5  58 33 o 3.185000       2.577000      ?             ?      
1 1 1 5  58 34 o 3.505000       2.385000      ?             ?      
1 1 1 5  58 35 o -2.347000      3.874000      ?             ?      
1 1 1 5  58 36 o 0.2833000      2.671000      ?             ?      
1 1 1 5  58 38 o 1.421000       2.730000      ?             ?      
1 1 1 5  59 0  o 0.9755000      1.213000      ?             ?      
1 1 1 5  59 1  o 1.792000       0.8642000     ?             ?      
1 1 1 5  59 2  o 4.213000       0.8726000     ?             ?      
1 1 1 5  59 3  o 0.4636000      0.8276000     ?             ?      
1 1 1 5  59 4  o -0.1640000     0.9926000     ?             ?      
1 1 1 5  59 5  o 1.223000       1.063000      ?             ?      
1 1 1 5  59 6  o 1.695000       0.8130000     ?             ?      
1 1 1 5  59 7  o 2.520000       1.345000      ?             ?      
1 1 1 5  59 8  o 2.268000       0.8772000     ?             ?      
1 1 1 5  59 9  o 0.2489000      0.5683000     ?             ?      
1 1 1 5  59 10 o -0.2182000E-01 0.4853000     ?             ?      
1 1 1 5  59 11 o 2.612000       1.329000      ?             ?      
1 1 1 5  59 12 o -0.5367000     1.206000      ?             ?      
1 1 1 5  59 13 o 0.1184000E-01  1.552000      ?             ?      
1 1 1 5  59 14 o 1.812000       1.606000      ?             ?      
1 1 1 5  59 15 o 6.685000       1.680000      ?             ?      
1 1 1 5  59 16 o -0.7150000E-01 1.625000      ?             ?      
1 1 1 5  59 17 o -0.4772000     1.632000      ?             ?      
1 1 1 5  59 18 o 3.015000       1.699000      ?             ?      
1 1 1 5  59 19 o 5.865000       1.751000      ?             ?      
1 1 1 5  59 20 o -3.037000      2.020000      ?             ?      
1 1 1 5  59 21 o 2.681000       2.553000      ?             ?      
1 1 1 5  59 22 o 0.4981000E-01  3.896000      ?             ?      
1 1 1 5  59 23 o 1.013000       2.301000      ?             ?      
1 1 1 5  59 24 o 2.454000       1.797000      ?             ?      
1 1 1 5  59 25 o -0.6704000     2.146000      ?             ?      
1 1 1 5  59 26 o 3.004000       2.242000      ?             ?      
1 1 1 5  59 27 o 1.294000       2.684000      ?             ?      
1 1 1 5  59 28 o -0.3150000E-01 2.654000      ?             ?      
1 1 1 5  59 29 f -1.585000      2.679000      ?             ?      
1 1 1 5  59 30 o 3.950000       2.676000      ?             ?      
1 1 1 5  59 31 o 0.9186000      2.646000      ?             ?      
1 1 1 5  59 32 < 0.000000       -1.000000     ?             ?      
1 1 1 5  59 33 o 2.619000       2.377000      ?             ?      
1 1 1 5  59 34 o -1.513000      2.609000      ?             ?      
1 1 1 5  59 35 o 0.7957000      2.665000      ?             ?      
1 1 1 5  59 36 o 0.2673000      3.943000      ?             ?      
1 1 1 5  60 0  o -0.9456000     1.181000      ?             ?      
1 1 1 5  60 1  o 0.5407000E-01  0.8360000     ?             ?      
1 1 1 5  60 2  o -0.3759000     0.8171000     ?             ?      
1 1 1 5  60 3  o 1.574000       0.8320000     ?             ?      
1 1 1 5  60 4  o 1.854000       0.8334000     ?             ?      
1 1 1 5  60 5  o -0.4047000     1.017000      ?             ?      
1 1 1 5  60 6  o 0.7999000      0.7954000     ?             ?      
1 1 1 5  60 7  o -0.4755000     1.212000      ?             ?      
1 1 1 5  60 8  o -0.1977000     0.8092000     ?             ?      
1 1 1 5  60 9  o -0.5936000     0.5482000     ?             ?      
1 1 1 5  60 10 o 0.5954000      0.5728000     ?             ?      
1 1 1 5  60 11 o 1.544000       1.273000      ?             ?      
1 1 1 5  60 12 o -2.049000      1.182000      ?             ?      
1 1 1 5  60 13 o 1.938000       1.564000      ?             ?      
1 1 1 5  60 14 o 0.8919000      1.580000      ?             ?      
1 1 1 5  60 15 o 3.360000       1.632000      ?             ?      
1 1 1 5  60 16 o 2.157000       1.644000      ?             ?      
1 1 1 5  60 17 o 2.011000       1.662000      ?             ?      
1 1 1 5  60 18 o 0.5816000      1.686000      ?             ?      
1 1 1 5  60 19 o 1.808000       1.698000      ?             ?      
1 1 1 5  60 20 o 0.5261000      2.008000      ?             ?      
1 1 1 5  60 21 o 11.27000       3.624000      ?             ?      
1 1 1 5  60 22 o -2.634000      3.091000      ?             ?      
1 1 1 5  60 23 o -2.145000      2.094000      ?             ?      
1 1 1 5  60 24 o 3.158000       2.130000      ?             ?      
1 1 1 5  60 25 o 3.128000       2.194000      ?             ?      
1 1 1 5  60 26 f -0.5276000     2.202000      ?             ?      
1 1 1 5  60 27 o -1.293000      2.227000      ?             ?      
1 1 1 5  60 28 o 6.478000       2.327000      ?             ?      
1 1 1 5  60 29 o 0.8360000      2.575000      ?             ?      
1 1 1 5  60 30 o 2.933000       3.744000      ?             ?      
1 1 1 5  60 31 o -2.771000      2.302000      ?             ?      
1 1 1 5  60 32 o -1.969000      2.746000      ?             ?      
1 1 1 5  60 33 o -1.145000      2.798000      ?             ?      
1 1 1 5  60 34 o -6.618000      4.030000      ?             ?      
1 1 1 5  61 0  o -0.8540000     1.155000      ?             ?      
1 1 1 5  61 1  o 0.9439000      0.8155000     ?             ?      
1 1 1 5  61 2  o -1.005000      0.8025000     ?             ?      
1 1 1 5  61 3  o 0.3647000      0.8731000     ?             ?      
1 1 1 5  61 4  o -2.253000      0.7996000     ?             ?      
1 1 1 5  61 5  o -0.6953000     0.9689000     ?             ?      
1 1 1 5  61 6  o 0.1774000      0.8150000     ?             ?      
1 1 1 5  61 7  o 1.844000       1.770000      ?             ?      
1 1 1 5  61 8  o 0.4529000      0.8076000     ?             ?      
1 1 1 5  61 9  o 0.7848000      0.6303000     ?             ?      
1 1 1 5  61 10 o 0.3981000      0.5307000     ?             ?      
1 1 1 5  61 11 o 5.343000       1.310000      ?             ?      
1 1 1 5  61 12 o 3.585000       1.223000      ?             ?      
1 1 1 5  61 13 o -1.154000      1.550000      ?             ?      
1 1 1 5  61 14 o -1.507000      1.566000      ?             ?      
1 1 1 5  61 15 o 0.7730000      1.605000      ?             ?      
1 1 1 5  61 16 o 1.574000       1.940000      ?             ?      
1 1 1 5  61 17 o 2.526000       1.994000      ?             ?      
1 1 1 5  61 18 o 1.884000       1.996000      ?             ?      
1 1 1 5  61 19 o 1.257000       2.061000      ?             ?      
1 1 1 5  61 20 o 2.234000       2.557000      ?             ?      
1 1 1 5  61 22 o 2.345000       2.355000      ?             ?      
1 1 1 5  61 23 o -3.048000      2.115000      ?             ?      
1 1 1 5  61 24 o 0.2889000      2.119000      ?             ?      
1 1 1 5  61 25 o 0.4054000      2.151000      ?             ?      
1 1 1 5  61 26 o -0.1767000     2.186000      ?             ?      
1 1 1 5  61 27 o 2.259000       3.709000      ?             ?      
1 1 1 5  61 28 o 3.389000       2.274000      ?             ?      
1 1 1 5  61 29 o 6.119000       2.374000      ?             ?      
1 1 1 5  61 30 o 1.078000       2.301000      ?             ?      
1 1 1 5  61 31 o 1.080000       2.318000      ?             ?      
1 1 1 5  61 32 o -0.9968000     4.172000      ?             ?      
1 1 1 5  62 0  o 0.4790000E-01  1.163000      ?             ?      
1 1 1 5  62 1  o 0.3381000      0.8206000     ?             ?      
1 1 1 5  62 2  o 1.054000       0.8054000     ?             ?      
1 1 1 5  62 3  o -0.9652000     0.8727000     ?             ?      
1 1 1 5  62 4  o 0.9228000      0.8403000     ?             ?      
1 1 1 5  62 5  o 0.7521000      1.065000      ?             ?      
1 1 1 5  62 6  o 1.701000       0.9134000     ?             ?      
1 1 1 5  62 7  o 1.174000       1.220000      ?             ?      
1 1 1 5  62 8  o -0.2290000     0.8100000     ?             ?      
1 1 1 5  62 9  o -0.2492000     0.6453000     ?             ?      
1 1 1 5  62 10 o -0.8533000     1.504000      ?             ?      
1 1 1 5  62 11 o 1.725000       1.585000      ?             ?      
1 1 1 5  62 12 o -0.7902000     1.472000      ?             ?      
1 1 1 5  62 13 f 1.517000       1.506000      ?             ?      
1 1 1 5  62 14 o 0.4174000      1.846000      ?             ?      
1 1 1 5  62 15 o 1.021000       1.900000      ?             ?      
1 1 1 5  62 16 o 3.349000       1.967000      ?             ?      
1 1 1 5  62 17 o -0.4577000     1.984000      ?             ?      
1 1 1 5  62 18 o 0.9838000E-01  2.050000      ?             ?      
1 1 1 5  62 19 o -0.5470000     2.047000      ?             ?      
1 1 1 5  62 20 o -0.7970000     3.369000      ?             ?      
1 1 1 5  62 21 o 2.413000       3.107000      ?             ?      
1 1 1 5  62 22 o -1.550000      2.341000      ?             ?      
1 1 1 5  62 23 o -0.4048000     2.117000      ?             ?      
1 1 1 5  62 24 o -0.1993000     2.175000      ?             ?      
1 1 1 5  62 25 o 2.925000       2.200000      ?             ?      
1 1 1 5  62 26 o -0.1018000     2.204000      ?             ?      
1 1 1 5  62 27 o 0.8063000      2.246000      ?             ?      
1 1 1 5  62 28 o 2.098000       2.295000      ?             ?      
1 1 1 5  62 29 o -0.4847000     2.272000      ?             ?      
1 1 1 5  63 0  o -0.8810000     1.174000      ?             ?      
1 1 1 5  63 1  o 1.445000       0.8362000     ?             ?      
1 1 1 5  63 2  o 0.8068000      0.8307000     ?             ?      
1 1 1 5  63 3  o -0.2096000     0.8921000     ?             ?      
1 1 1 5  63 4  o 0.8626000      0.8481000     ?             ?      
1 1 1 5  63 5  o -0.8351000     1.063000      ?             ?      
1 1 1 5  63 6  o 0.2022000      0.9232000     ?             ?      
1 1 1 5  63 7  o -1.017000      1.219000      ?             ?      
1 1 1 5  63 8  o 0.7155000      0.8024000     ?             ?      
1 1 1 5  63 9  o 0.3259000      0.5500000     ?             ?      
1 1 1 5  63 10 o 3.067000       1.632000      ?             ?      
1 1 1 5  63 11 o 2.420000       1.601000      ?             ?      
1 1 1 5  63 12 o 2.573000       1.815000      ?             ?      
1 1 1 5  63 13 o -2.285000      1.802000      ?             ?      
1 1 1 5  63 14 o 4.276000       1.855000      ?             ?      
1 1 1 5  63 15 o 0.7971000      1.861000      ?             ?      
1 1 1 5  63 16 o 0.4850000      1.948000      ?             ?      
1 1 1 5  63 17 o -1.690000      1.971000      ?             ?      
1 1 1 5  63 18 o 2.532000       2.075000      ?             ?      
1 1 1 5  63 19 o 1.302000       2.087000      ?             ?      
1 1 1 5  63 20 o 0.7233000      3.578000      ?             ?      
1 1 1 5  63 21 o 5.035000       2.421000      ?             ?      
1 1 1 5  63 22 o 3.136000       2.194000      ?             ?      
1 1 1 5  63 23 o -0.6371000     2.131000      ?             ?      
1 1 1 5  63 24 o 1.509000       2.224000      ?             ?      
1 1 1 5  63 25 o -0.8084000     2.197000      ?             ?      
1 1 1 5  63 26 o 3.956000       2.250000      ?             ?      
1 1 1 5  64 0  o 0.8441000      1.182000      ?             ?      
1 1 1 5  64 1  o -1.048000      0.8294000     ?             ?      
1 1 1 5  64 2  o 0.5653000      0.8365000     ?             ?      
1 1 1 5  64 3  o -1.142000      0.8294000     ?             ?      
1 1 1 5  64 4  o -0.2549000     0.8428000     ?             ?      
1 1 1 5  64 5  o 0.6413000      1.072000      ?             ?      
1 1 1 5  64 6  o -0.4699000     0.9567000     ?             ?      
1 1 1 5  64 7  f 0.6693000      1.136000      ?             ?      
1 1 1 5  64 8  f 0.5347000      0.7729000     ?             ?      
1 1 1 5  64 9  o 1.220000       0.5365000     ?             ?      
1 1 1 5  64 10 o -1.056000      1.583000      ?             ?      
1 1 1 5  64 11 f 0.2636000      1.627000      ?             ?      
1 1 1 5  64 12 o 1.366000       1.863000      ?             ?      
1 1 1 5  64 13 o 3.552000       1.843000      ?             ?      
1 1 1 5  64 14 o -0.1324000     1.855000      ?             ?      
1 1 1 5  64 15 o 0.2294000      1.874000      ?             ?      
1 1 1 5  64 16 o 0.3529000      3.069000      ?             ?      
1 1 1 5  64 17 o 1.138000       1.964000      ?             ?      
1 1 1 5  64 18 f 0.8211000      2.007000      ?             ?      
1 1 1 5  64 19 o 6.149000       3.532000      ?             ?      
1 1 1 5  64 21 < 0.000000       -1.000000     ?             ?      
1 1 1 5  64 22 o -5.897000      3.623000      ?             ?      
1 1 1 5  65 0  o 0.3477000      1.186000      ?             ?      
1 1 1 5  65 1  o -0.7289000     0.8471000     ?             ?      
1 1 1 5  65 2  f 2.942000       0.9418000     ?             ?      
1 1 1 5  65 3  o 0.8981000      0.8585000     ?             ?      
1 1 1 5  65 4  o 1.427000       0.8549000     ?             ?      
1 1 1 5  65 5  o 2.641000       1.230000      ?             ?      
1 1 1 5  65 6  o 0.7790000      0.9485000     ?             ?      
1 1 1 5  65 7  o -0.3978000     1.349000      ?             ?      
1 1 1 5  65 8  o -0.8707000     0.8001000     ?             ?      
1 1 1 5  65 9  o 1.831000       0.6272000     ?             ?      
1 1 1 5  65 10 o -0.9341000     1.619000      ?             ?      
1 1 1 5  65 11 o 1.103000       1.568000      ?             ?      
1 1 1 5  65 12 o -0.5153000     1.821000      ?             ?      
1 1 1 5  65 13 o -0.9056000     1.843000      ?             ?      
1 1 1 5  65 14 o -2.568000      1.888000      ?             ?      
1 1 1 5  65 15 o 0.9281000      1.919000      ?             ?      
1 1 1 5  65 16 o 4.173000       1.973000      ?             ?      
1 1 1 5  65 17 o 0.9944000      1.966000      ?             ?      
1 1 1 5  65 18 o -1.109000      1.985000      ?             ?      
1 1 1 5  66 0  o 2.905000       1.218000      ?             ?      
1 1 1 5  66 1  o -0.7573000E-01 0.8461000     ?             ?      
1 1 1 5  66 2  o 2.019000       0.9302000     ?             ?      
1 1 1 5  66 3  o 0.6104000      0.8920000     ?             ?      
1 1 1 5  66 4  o -0.3183000     0.8632000     ?             ?      
1 1 1 5  66 5  f -1.553000      1.213000      ?             ?      
1 1 1 5  66 6  o -0.1588000     0.9321000     ?             ?      
1 1 1 5  66 7  o -0.4126000     0.8961000     ?             ?      
1 1 1 5  66 8  o 2.317000       1.523000      ?             ?      
1 1 1 5  66 9  o -0.4213000     0.4884000     ?             ?      
1 1 1 5  66 10 o 0.3601000      1.593000      ?             ?      
1 1 1 5  66 11 o 2.756000       1.555000      ?             ?      
1 1 1 5  66 12 o -0.2250000     0.7093000     ?             ?      
1 1 1 5  66 13 o 0.4195000      1.903000      ?             ?      
1 1 1 5  67 0  o -0.8859000     1.205000      ?             ?      
1 1 1 5  67 1  o 1.454000       0.8575000     ?             ?      
1 1 1 5  67 2  o -0.5972000     0.9153000     ?             ?      
1 1 1 5  67 3  o -1.690000      1.263000      ?             ?      
1 1 1 5  67 4  o 1.836000       1.332000      ?             ?      
1 1 1 5  67 5  o 1.365000       1.697000      ?             ?      
1 1 1 6  0  0  o 1398.000       44.66000      4083.564      0.0    
1 1 1 6  0  1  o 445.9000       12.38000      3649.328      90.0   
1 1 1 6  0  2  o 15.20000       0.5576000     1088.079      0.0    
1 1 1 6  0  3  o 72.78000       2.049000      436.6994      -90.0  
1 1 1 6  0  4  o 148.8000       4.150000      3331.896      0.0    
1 1 1 6  0  5  o 91.43000       2.574000      405.0892      -90.0  
1 1 1 6  0  6  o 11.08000       0.4397000     304.1125      0.0    
1 1 1 6  0  7  o 686.2000       19.02000      3513.570      -90.0  
1 1 1 6  0  8  o 1217.000       33.71000      4704.120      0.0    
1 1 1 6  0  9  o 153.0000       4.309000      1623.581      -90.0  
1 1 1 6  0  10 o 861.1000       23.89000      4115.635      0.0    
1 1 1 6  0  11 o 19.21000       0.7619000     507.4598      -90.0  
1 1 1 6  0  12 o 101.7000       2.941000      1128.396      0.0    
1 1 1 6  0  13 o 273.7000       7.667000      1958.208      -90.0  
1 1 1 6  0  14 o 0.3133000      0.5768000     297.0305      0.0    
1 1 1 6  0  15 o 7.840000       0.9760000     350.0784      -90.0  
1 1 1 6  0  16 o 38.52000       2.814000      57.47115      180.0  
1 1 1 6  0  17 o 153.8000       5.108000      2513.979      90.0   
1 1 1 6  0  18 o 59.04000       1.882000      890.7110      -180.0 
1 1 1 6  0  19 o 231.5000       6.560000      1715.416      -90.0  
1 1 1 6  0  20 o 157.2000       4.534000      1964.202      0.0    
1 1 1 6  0  21 o 277.0000       7.828000      2270.260      -90.0  
1 1 1 6  0  22 o 3.335000       0.8295000     9.157855      180.0  
1 1 1 6  0  23 o 157.4000       4.579000      1952.484      -90.0  
1 1 1 6  0  24 o 456.8000       12.80000      3149.651      180.0  
1 1 1 6  0  25 o 107.6000       3.285000      902.3085      -90.0  
1 1 1 6  0  26 o 305.8000       8.676000      3115.355      180.0  
1 1 1 6  0  27 o 43.86000       1.766000      413.1790      -90.0  
1 1 1 6  0  28 o 4.481000       1.148000      496.9579      0.0    
1 1 1 6  0  29 o 12.74000       1.299000      807.2808      90.0   
1 1 1 6  0  30 o 19.63000       1.491000      772.1205      180.0  
1 1 1 6  0  31 f 970.9000       27.08000      4113.479      90.0   
1 1 1 6  0  32 o 501.3000       14.14000      3760.785      0.0    
1 1 1 6  0  33 o 212.5000       7.249000      2567.407      90.0   
1 1 1 6  0  34 o 301.9000       17.49000      2165.180      -0.0   
1 1 1 6  0  35 o 131.2000       6.036000      1359.840      -90.0  
1 1 1 6  0  36 o 38.56000       2.144000      985.9750      0.0    
1 1 1 6  0  37 o 212.6000       6.341000      1559.049      -90.0  
1 1 1 6  0  38 o 114.8000       3.777000      1912.133      0.0    
1 1 1 6  0  39 o 20.86000       1.763000      294.0018      -90.0  
1 1 1 6  0  40 o 19.89000       1.715000      223.2772      0.0    
1 1 1 6  0  41 o 8.448000       1.548000      20.33613      -90.0  
1 1 1 6  0  42 o 67.00000       2.584000      1551.914      180.0  
1 1 1 6  0  43 o 13.72000       1.553000      504.7973      90.0   
1 1 1 6  0  44 o 31.75000       2.088000      634.7528      -180.0 
1 1 1 6  0  45 o 19.99000       1.897000      607.0889      90.0   
1 1 1 6  0  46 o 15.75000       1.962000      546.0171      0.0    
1 1 1 6  0  47 o 2.786000       2.342000      312.6154      90.0   
1 1 1 6  0  48 o 33.44000       2.018000      661.6812      -0.0   
1 1 1 6  0  49 o 67.98000       3.101000      1158.792      90.0   
1 1 1 6  0  50 o 17.41000       1.980000      701.4515      180.0  
1 1 1 6  0  51 o 195.4000       12.44000      ?             ?      
1 1 1 6  0  52 o 12.45000       2.467000      529.8483      0.0    
1 1 1 6  0  53 o 307.6000       9.048000      ?             ?      
1 1 1 6  0  54 o 67.59000       2.885000      1169.061      0.0    
1 1 1 6  0  55 o 45.17000       2.447000      846.2010      -90.0  
1 1 1 6  0  56 o 9.290000       1.908000      274.0327      180.0  
1 1 1 6  0  57 o 6.288000       1.945000      299.1421      90.0   
1 1 1 6  0  58 o 41.52000       2.511000      1029.949      0.0    
1 1 1 6  0  59 o 46.63000       2.655000      1166.122      90.0   
1 1 1 6  0  60 o 4.600000       2.042000      170.0304      0.0    
1 1 1 6  0  61 o 85.05000       3.534000      ?             ?      
1 1 1 6  0  62 o 4.403000       2.033000      ?             ?      
1 1 1 6  0  63 o 11.17000       2.055000      ?             ?      
1 1 1 6  0  64 o -0.3584000     1.930000      ?             ?      
1 1 1 6  0  65 o 1.066000       2.247000      ?             ?      
1 1 1 6  0  66 o 21.73000       5.031000      ?             ?      
1 1 1 6  0  67 o 32.71000       3.285000      ?             ?      
1 1 1 6  0  68 o 6.532000       1.984000      ?             ?      
1 1 1 6  0  69 o 33.34000       2.422000      ?             ?      
1 1 1 6  0  70 o 10.03000       2.073000      ?             ?      
1 1 1 6  0  71 o 19.75000       2.182000      ?             ?      
1 1 1 6  0  72 o 0.6024000      1.954000      ?             ?      
1 1 1 6  0  73 o -1.050000      1.942000      ?             ?      
1 1 1 6  0  74 o 4.307000       2.005000      ?             ?      
1 1 1 6  0  75 o 10.38000       2.115000      ?             ?      
1 1 1 6  0  76 o -0.5210000     2.321000      ?             ?      
1 1 1 6  1  0  o 69.42000       1.605000      908.6826      0.0    
1 1 1 6  1  1  o 939.7000       15.05000      4012.648      10.8   
1 1 1 6  1  2  o 52.67000       1.352000      666.5027      -19.5  
1 1 1 6  1  3  o 655.6000       11.51000      3865.759      -158.9 
1 1 1 6  1  4  o 139.0000       2.603000      2114.946      -34.9  
1 1 1 6  1  5  o 543.6000       10.65000      2637.485      -8.1   
1 1 1 6  1  6  o 423.0000       8.302000      3051.204      38.8   
1 1 1 6  1  7  o 214.0000       4.227000      1553.237      11.5   
1 1 1 6  1  8  o 66.33000       1.360000      1152.297      -12.9  
1 1 1 6  1  9  o 248.6000       4.914000      1895.598      97.2   
1 1 1 6  1  10 o 163.8000       3.264000      2027.173      -142.5 
1 1 1 6  1  11 o 442.9000       8.714000      2730.462      -169.0 
1 1 1 6  1  12 o 36.63000       0.8573000     841.2483      118.7  
1 1 1 6  1  13 o 171.2000       3.429000      2044.220      38.6   
1 1 1 6  1  14 o 311.4000       7.115000      2004.880      78.3   
1 1 1 6  1  15 o 261.8000       10.40000      2735.185      -169.3 
1 1 1 6  1  16 o 65.48000       2.478000      1425.222      -91.1  
1 1 1 6  1  17 o 41.95000       1.186000      982.1830      -109.8 
1 1 1 6  1  18 o 142.5000       2.913000      1576.678      -92.9  
1 1 1 6  1  19 o 97.71000       2.062000      1117.001      96.7   
1 1 1 6  1  20 o 41.81000       1.056000      755.4983      105.5  
1 1 1 6  1  21 o 123.4000       2.569000      2133.511      -34.7  
1 1 1 6  1  22 o 16.43000       0.7147000     394.1292      121.2  
1 1 1 6  1  23 o 35.91000       1.016000      935.6627      -110.9 
1 1 1 6  1  24 o 215.0000       4.361000      2112.796      -87.3  
1 1 1 6  1  25 o 478.3000       9.481000      3011.260      -71.3  
1 1 1 6  1  26 o 41.10000       1.175000      1582.021      59.4   
1 1 1 6  1  27 o 519.7000       10.30000      3469.240      178.6  
1 1 1 6  1  28 o 118.5000       2.576000      1548.242      102.5  
1 1 1 6  1  29 o 58.27000       1.541000      1063.457      -175.8 
1 1 1 6  1  30 o 140.0000       3.021000      2200.121      -141.8 
1 1 1 6  1  31 o 53.82000       1.555000      1240.988      63.5   
1 1 1 6  1  32 o 794.4000       15.70000      3880.250      133.2  
1 1 1 6  1  33 o 132.1000       3.413000      1466.985      -173.3 
1 1 1 6  1  34 o 149.9000       6.592000      1409.124      -58.3  
1 1 1 6  1  35 o 38.75000       3.072000      633.3146      136.9  
1 1 1 6  1  36 o 39.12000       1.634000      805.2512      -128.2 
1 1 1 6  1  37 o 23.04000       1.330000      776.3961      95.2   
1 1 1 6  1  38 o 234.6000       4.895000      2039.858      78.4   
1 1 1 6  1  39 o 42.51000       1.500000      784.2114      28.7   
1 1 1 6  1  40 o 112.0000       2.618000      1105.220      -73.1  
1 1 1 6  1  41 o 214.7000       4.522000      2477.172      49.8   
1 1 1 6  1  42 o 110.1000       2.764000      1398.643      48.5   
1 1 1 6  1  43 o 57.83000       1.696000      965.3691      -101.1 
1 1 1 6  1  44 o 20.93000       1.507000      740.3989      163.8  
1 1 1 6  1  45 o 72.64000       2.119000      1027.892      -83.1  
1 1 1 6  1  46 o 96.54000       2.713000      1453.027      128.7  
1 1 1 6  1  47 o 45.58000       1.770000      1112.605      -155.3 
1 1 1 6  1  48 o 37.74000       1.474000      807.0131      -93.2  
1 1 1 6  1  49 o 12.34000       1.446000      481.9813      77.7   
1 1 1 6  1  50 o 2.562000       1.289000      155.9147      71.3   
1 1 1 6  1  51 o 95.99000       4.937000      ?             ?      
1 1 1 6  1  52 o 51.88000       2.803000      1035.642      116.7  
1 1 1 6  1  53 o 50.82000       1.778000      1061.391      -159.2 
1 1 1 6  1  54 o 71.46000       2.099000      1187.605      -19.2  
1 1 1 6  1  55 o 9.042000       1.328000      336.8211      -82.4  
1 1 1 6  1  56 o 11.96000       1.367000      577.2015      -81.8  
1 1 1 6  1  58 o 79.22000       2.335000      ?             ?      
1 1 1 6  1  59 o 52.15000       1.953000      ?             ?      
1 1 1 6  1  60 o 14.34000       1.510000      561.2225      -95.4  
1 1 1 6  1  61 o 13.37000       1.515000      597.8809      -95.5  
1 1 1 6  1  62 o 34.11000       1.733000      ?             ?      
1 1 1 6  1  63 o 9.599000       1.433000      ?             ?      
1 1 1 6  1  64 o 8.770000       1.431000      ?             ?      
1 1 1 6  1  65 o 0.2519000      1.603000      ?             ?      
1 1 1 6  1  66 o 7.349000       2.570000      ?             ?      
1 1 1 6  1  67 o 19.91000       1.796000      ?             ?      
1 1 1 6  1  68 o 9.842000       1.453000      ?             ?      
1 1 1 6  1  69 o 3.064000       1.402000      ?             ?      
1 1 1 6  1  70 o 1.758000       1.414000      ?             ?      
1 1 1 6  1  71 o 9.757000       1.465000      ?             ?      
1 1 1 6  1  72 o 1.492000       1.382000      ?             ?      
1 1 1 6  1  73 o -0.1508000     1.372000      ?             ?      
1 1 1 6  1  75 o 3.197000       1.432000      ?             ?      
1 1 1 6  1  76 o 4.858000       1.784000      ?             ?      
1 1 1 6  2  0  o 57.71000       1.638000      881.2003      0.0    
1 1 1 6  2  1  o 64.56000       1.075000      1231.350      43.8   
1 1 1 6  2  2  o 370.8000       6.232000      2533.108      -28.7  
1 1 1 6  2  3  o 209.5000       3.692000      2196.045      12.4   
1 1 1 6  2  4  o 52.39000       1.058000      1203.290      46.9   
1 1 1 6  2  5  o 660.8000       12.95000      3358.955      47.3   
1 1 1 6  2  6  o 16.07000       0.3936000     405.9329      -96.1  
1 1 1 6  2  7  o 690.5000       13.53000      3105.142      -117.9 
1 1 1 6  2  8  o 553.6000       10.87000      3387.500      -61.2  
1 1 1 6  2  9  o 48.26000       1.028000      975.4020      20.5   
1 1 1 6  2  10 o 154.6000       3.089000      1960.167      16.0   
1 1 1 6  2  11 o 63.75000       1.345000      1470.990      -81.8  
1 1 1 6  2  12 o 356.6000       7.035000      2142.688      19.1   
1 1 1 6  2  13 o 192.2000       3.842000      1934.894      -133.0 
1 1 1 6  2  14 o 77.26000       1.879000      1406.765      -53.3  
1 1 1 6  2  15 o 63.00000       2.354000      1088.183      28.2   
1 1 1 6  2  16 o 7.789000       0.8934000     418.5965      98.1   
1 1 1 6  2  17 o 21.82000       0.9955000     768.8087      -66.3  
1 1 1 6  2  18 o 79.23000       1.847000      1011.764      -160.9 
1 1 1 6  2  19 o 3.986000       0.5223000     380.0983      -129.8 
1 1 1 6  2  20 o 71.72000       1.588000      1287.886      0.2    
1 1 1 6  2  21 o 188.2000       3.818000      2201.839      44.7   
1 1 1 6  2  22 o 167.5000       3.425000      1942.395      23.5   
1 1 1 6  2  23 o 582.8000       11.51000      3272.311      -52.7  
1 1 1 6  2  24 o 177.4000       3.634000      1996.763      162.7  
1 1 1 6  2  25 o 9.527000       0.7370000     295.5885      -172.0 
1 1 1 6  2  26 o 318.1000       6.375000      2523.197      -179.3 
1 1 1 6  2  27 o 55.13000       1.429000      1196.756      -7.4   
1 1 1 6  2  28 o 77.24000       1.826000      992.0491      13.7   
1 1 1 6  2  29 o 9.574000       0.9042000     492.5809      115.4  
1 1 1 6  2  30 o 159.6000       3.387000      2131.270      -10.3  
1 1 1 6  2  31 o 19.22000       1.103000      590.5258      162.6  
1 1 1 6  2  32 o 80.00000       2.034000      951.5500      49.6   
1 1 1 6  2  33 o 339.8000       7.958000      2475.329      -147.7 
1 1 1 6  2  34 o 249.6000       6.731000      2162.389      -42.4  
1 1 1 6  2  35 o 24.87000       1.837000      355.5350      35.3   
1 1 1 6  2  36 o 48.69000       2.143000      511.9474      13.7   
1 1 1 6  2  37 o 327.0000       6.672000      2441.624      158.4  
1 1 1 6  2  38 o 278.5000       5.735000      2317.607      75.4   
1 1 1 6  2  39 o 34.69000       1.512000      848.6949      -64.4  
1 1 1 6  2  40 o 72.97000       2.114000      1024.202      97.3   
1 1 1 6  2  41 o 16.68000       1.258000      387.5446      106.6  
1 1 1 6  2  42 o 161.9000       4.327000      2243.641      134.5  
1 1 1 6  2  43 o 47.02000       1.537000      1004.269      52.0   
1 1 1 6  2  44 o 27.25000       1.335000      845.2233      -116.0 
1 1 1 6  2  45 o 90.08000       2.422000      1141.337      -41.8  
1 1 1 6  2  46 o 42.76000       1.493000      840.1887      -78.4  
1 1 1 6  2  47 o 116.5000       2.732000      1541.559      -141.8 
1 1 1 6  2  48 o 45.90000       1.570000      990.8386      -25.4  
1 1 1 6  2  49 o 5.582000       1.265000      231.5754      -84.2  
1 1 1 6  2  50 o 76.07000       2.861000      1491.881      -154.0 
1 1 1 6  2  51 o 53.41000       2.896000      1112.883      -59.3  
1 1 1 6  2  52 o 16.73000       2.637000      489.5369      -4.5   
1 1 1 6  2  53 o 79.99000       2.850000      1278.838      -63.9  
1 1 1 6  2  54 o 8.733000       1.372000      364.5461      112.5  
1 1 1 6  2  55 o 35.61000       1.602000      767.9017      -115.2 
1 1 1 6  2  56 o 13.25000       1.376000      350.1684      171.6  
1 1 1 6  2  57 o 22.87000       1.539000      687.9860      -44.5  
1 1 1 6  2  58 o 36.58000       1.723000      1040.155      -62.1  
1 1 1 6  2  59 o 35.46000       1.729000      891.8068      117.2  
1 1 1 6  2  60 o 40.98000       1.817000      970.5776      160.9  
1 1 1 6  2  61 o 50.54000       1.959000      ?             ?      
1 1 1 6  2  62 o 6.911000       1.449000      ?             ?      
1 1 1 6  2  63 o 3.747000       1.409000      ?             ?      
1 1 1 6  2  64 o 11.73000       1.572000      ?             ?      
1 1 1 6  2  65 o 14.48000       1.937000      ?             ?      
1 1 1 6  2  66 o 8.323000       2.046000      ?             ?      
1 1 1 6  2  67 o 3.007000       1.840000      ?             ?      
1 1 1 6  2  68 o 7.061000       1.538000      ?             ?      
1 1 1 6  2  69 o 3.009000       1.402000      ?             ?      
1 1 1 6  2  70 o 6.041000       1.436000      ?             ?      
1 1 1 6  2  71 o 1.690000       1.404000      ?             ?      
1 1 1 6  2  72 o -0.8871000     1.397000      ?             ?      
1 1 1 6  2  73 o 2.782000       1.410000      ?             ?      
1 1 1 6  2  74 o -0.9254000     1.394000      ?             ?      
1 1 1 6  2  76 o -0.9132000     1.435000      ?             ?      
1 1 1 6  3  0  o 248.2000       6.905000      1852.424      0.0    
1 1 1 6  3  1  o 18.52000       0.4436000     685.4927      -178.8 
1 1 1 6  3  2  o 373.0000       7.887000      2391.983      -8.6   
1 1 1 6  3  3  o 19.99000       0.5911000     1040.853      56.2   
1 1 1 6  3  4  o 71.10000       1.422000      1418.589      54.7   
1 1 1 6  3  5  o 334.6000       6.238000      2697.997      -63.6  
1 1 1 6  3  6  o 575.0000       11.27000      2907.520      -14.9  
1 1 1 6  3  7  o 73.35000       1.486000      1573.229      -44.3  
1 1 1 6  3  8  o 29.80000       0.6713000     185.2708      178.6  
1 1 1 6  3  9  o 131.5000       2.628000      2017.389      65.7   
1 1 1 6  3  10 o 112.1000       2.261000      1776.391      -153.4 
1 1 1 6  3  11 o 767.5000       15.05000      3833.242      129.9  
1 1 1 6  3  12 o 144.7000       2.910000      1563.571      -11.2  
1 1 1 6  3  13 o 191.3000       4.407000      2109.216      17.8   
1 1 1 6  3  14 o 10.90000       0.6581000     437.9920      104.2  
1 1 1 6  3  15 o 2.665000       0.5021000     343.7246      -101.7 
1 1 1 6  3  16 o 50.64000       1.267000      873.2169      76.8   
1 1 1 6  3  17 o 15.33000       0.7934000     353.5458      -82.6  
1 1 1 6  3  18 o 75.42000       1.898000      1552.063      167.6  
1 1 1 6  3  19 o 58.53000       1.344000      1236.001      128.5  
1 1 1 6  3  20 o 58.61000       1.357000      1330.822      142.5  
1 1 1 6  3  21 o 554.0000       10.93000      3561.447      -43.0  
1 1 1 6  3  22 o 282.9000       5.659000      2279.576      93.0   
1 1 1 6  3  23 o 71.68000       1.638000      669.9718      -100.7 
1 1 1 6  3  24 o 96.08000       2.099000      1585.631      -45.2  
1 1 1 6  3  25 o 121.7000       2.589000      1795.265      -170.0 
1 1 1 6  3  26 o 466.1000       9.252000      3107.666      173.8  
1 1 1 6  3  27 o 329.5000       6.606000      2602.516      177.0  
1 1 1 6  3  28 o 119.1000       2.592000      1631.860      30.8   
1 1 1 6  3  29 o 76.30000       1.846000      1197.911      115.8  
1 1 1 6  3  30 o 60.86000       1.632000      1309.797      -34.1  
1 1 1 6  3  31 f 321.9000       6.506000      2050.000      -129.6 
1 1 1 6  3  32 o 240.6000       5.730000      2455.834      -169.3 
1 1 1 6  3  33 o 184.6000       5.537000      2118.435      117.0  
1 1 1 6  3  34 o 129.3000       3.388000      1395.065      -106.7 
1 1 1 6  3  35 o 212.4000       5.192000      1932.897      144.7  
1 1 1 6  3  36 o 250.5000       6.738000      2164.987      -60.3  
1 1 1 6  3  37 o 45.05000       1.700000      878.9497      -158.9 
1 1 1 6  3  38 o 128.5000       2.940000      1977.589      96.1   
1 1 1 6  3  39 o 98.01000       3.371000      1254.593      41.7   
1 1 1 6  3  40 o 32.08000       1.724000      756.0216      122.6  
1 1 1 6  3  41 o 3.252000       1.069000      169.8694      176.7  
1 1 1 6  3  42 o 47.79000       1.660000      1043.822      -146.0 
1 1 1 6  3  43 o 24.96000       1.224000      588.2245      -155.1 
1 1 1 6  3  44 o 15.23000       1.107000      556.3174      5.2    
1 1 1 6  3  45 o 31.97000       1.328000      661.0527      31.7   
1 1 1 6  3  46 o 38.20000       1.412000      899.8964      75.9   
1 1 1 6  3  47 o 74.82000       2.001000      1350.259      -51.0  
1 1 1 6  3  48 o 20.04000       1.216000      662.1330      -68.1  
1 1 1 6  3  49 o 2.735000       1.243000      116.2464      -38.1  
1 1 1 6  3  50 o 3.054000       1.411000      439.9267      132.4  
1 1 1 6  3  51 o 53.19000       1.991000      1035.803      139.4  
1 1 1 6  3  52 o 4.824000       1.603000      201.1539      -33.2  
1 1 1 6  3  53 o 2.687000       1.815000      109.2568      -120.6 
1 1 1 6  3  54 o 6.680000       1.620000      566.4953      -3.9   
1 1 1 6  3  55 o 16.18000       1.555000      659.3909      -179.8 
1 1 1 6  3  56 o 7.270000       1.429000      453.0423      42.2   
1 1 1 6  3  57 o 78.67000       2.322000      ?             ?      
1 1 1 6  3  58 o 9.133000       1.435000      434.3172      48.0   
1 1 1 6  3  59 o 18.68000       1.540000      688.6227      -46.3  
1 1 1 6  3  60 o 14.01000       1.519000      487.3230      -104.5 
1 1 1 6  3  61 o 24.77000       1.627000      840.3976      -153.6 
1 1 1 6  3  62 o 12.12000       1.503000      ?             ?      
1 1 1 6  3  63 o 21.09000       1.577000      ?             ?      
1 1 1 6  3  64 o 12.54000       1.700000      ?             ?      
1 1 1 6  3  65 o 6.036000       1.836000      ?             ?      
1 1 1 6  3  66 o 7.387000       1.630000      ?             ?      
1 1 1 6  3  67 o 2.259000       1.882000      ?             ?      
1 1 1 6  3  68 o 2.964000       1.628000      ?             ?      
1 1 1 6  3  69 o 6.673000       1.455000      ?             ?      
1 1 1 6  3  70 o 6.893000       1.440000      ?             ?      
1 1 1 6  3  71 o 2.709000       1.414000      ?             ?      
1 1 1 6  3  72 o -0.1421000     1.408000      ?             ?      
1 1 1 6  3  73 o 2.892000       1.422000      ?             ?      
1 1 1 6  3  74 o 1.179000       1.421000      ?             ?      
1 1 1 6  3  75 o -0.2695000     1.438000      ?             ?      
1 1 1 6  4  0  o 138.0000       3.151000      1166.669      180.0  
1 1 1 6  4  1  o 229.6000       3.872000      1954.181      40.9   
1 1 1 6  4  2  o 40.83000       0.8570000     1087.459      -48.1  
1 1 1 6  4  3  o 45.00000       1.183000      1285.085      101.1  
1 1 1 6  4  4  o 61.40000       1.110000      1235.820      132.3  
1 1 1 6  4  5  o 257.6000       5.069000      1897.931      63.5   
1 1 1 6  4  6  o 8.715000       0.3312000     357.1245      167.6  
1 1 1 6  4  7  o 169.0000       3.347000      1935.655      -127.5 
1 1 1 6  4  8  o 52.16000       1.090000      1417.658      116.5  
1 1 1 6  4  9  o 308.9000       6.087000      3021.771      75.0   
1 1 1 6  4  10 o 700.0000       13.73000      3982.828      -107.3 
1 1 1 6  4  11 o 122.6000       2.476000      1295.364      -8.0   
1 1 1 6  4  12 o 127.5000       2.576000      1215.399      -8.4   
1 1 1 6  4  13 o 25.65000       0.7779000     760.8025      -117.5 
1 1 1 6  4  14 o 30.50000       1.070000      703.9929      59.9   
1 1 1 6  4  15 o 22.93000       0.7762000     877.6792      -82.2  
1 1 1 6  4  16 o 9.070000       0.5505000     629.2604      -130.2 
1 1 1 6  4  17 o 8.438000       0.7573000     389.9337      -108.1 
1 1 1 6  4  18 o 30.71000       1.127000      854.7615      1.2    
1 1 1 6  4  19 o 53.00000       1.350000      1184.421      -177.3 
1 1 1 6  4  20 o 216.0000       4.349000      2115.536      84.0   
1 1 1 6  4  21 o 79.97000       1.764000      1423.054      -98.7  
1 1 1 6  4  22 o 68.63000       1.571000      1232.762      156.2  
1 1 1 6  4  23 o 76.93000       1.733000      1186.172      163.2  
1 1 1 6  4  24 o 60.35000       1.454000      1067.158      -130.8 
1 1 1 6  4  25 o 122.8000       2.617000      1426.228      -153.0 
1 1 1 6  4  26 o 208.7000       4.264000      1954.440      158.2  
1 1 1 6  4  27 o 39.14000       1.189000      1132.293      21.1   
1 1 1 6  4  28 o 286.6000       5.792000      1977.259      55.2   
1 1 1 6  4  29 o 136.3000       3.178000      1922.948      -51.6  
1 1 1 6  4  30 o 114.2000       2.562000      1444.935      -109.1 
1 1 1 6  4  31 o 228.1000       4.722000      1948.518      171.5  
1 1 1 6  4  32 o 90.41000       2.542000      1235.702      -96.0  
1 1 1 6  4  33 o 264.4000       6.306000      2501.402      -127.3 
1 1 1 6  4  34 o 79.27000       2.663000      1032.214      65.4   
1 1 1 6  4  35 o 133.7000       3.726000      1575.849      22.5   
1 1 1 6  4  36 o 23.69000       1.791000      607.0633      -111.4 
1 1 1 6  4  37 o 184.2000       5.124000      1909.498      147.3  
1 1 1 6  4  38 o 62.27000       1.989000      1236.102      -70.2  
1 1 1 6  4  39 o 20.70000       1.317000      722.6309      -100.3 
1 1 1 6  4  40 o 112.1000       2.839000      1491.448      113.0  
1 1 1 6  4  41 o 54.83000       1.651000      1129.332      -164.4 
1 1 1 6  4  42 o 13.99000       1.111000      759.4372      154.0  
1 1 1 6  4  43 o 17.16000       1.128000      562.6094      -73.0  
1 1 1 6  4  44 o 18.38000       1.137000      541.6623      -26.1  
1 1 1 6  4  45 o 43.75000       1.485000      863.9802      -40.8  
1 1 1 6  4  46 o 36.88000       1.395000      1033.843      -167.1 
1 1 1 6  4  47 o 23.54000       1.239000      636.7551      -43.0  
1 1 1 6  4  48 o 20.99000       1.301000      637.9415      15.4   
1 1 1 6  4  49 o 22.14000       1.610000      830.4843      -140.2 
1 1 1 6  4  50 o 12.57000       1.332000      482.7573      -91.1  
1 1 1 6  4  51 o 21.07000       1.298000      833.3810      62.3   
1 1 1 6  4  52 o 9.798000       1.445000      478.3821      171.6  
1 1 1 6  4  53 o 5.252000       2.173000      405.9343      -133.1 
1 1 1 6  4  54 o 12.18000       1.494000      526.6825      -121.6 
1 1 1 6  4  55 o 5.102000       1.421000      162.1358      32.3   
1 1 1 6  4  56 o 88.98000       3.024000      ?             ?      
1 1 1 6  4  57 o 29.96000       1.756000      740.6254      -26.9  
1 1 1 6  4  58 o 3.250000       1.490000      438.6149      168.5  
1 1 1 6  4  59 o 13.25000       1.597000      615.1568      166.4  
1 1 1 6  4  60 o 3.074000       1.455000      209.0825      12.9   
1 1 1 6  4  61 o 6.061000       1.463000      372.8344      16.9   
1 1 1 6  4  62 o 17.34000       1.566000      ?             ?      
1 1 1 6  4  63 o 26.01000       1.759000      ?             ?      
1 1 1 6  4  64 o 28.12000       2.141000      ?             ?      
1 1 1 6  4  65 o 2.052000       1.600000      ?             ?      
1 1 1 6  4  66 o 11.00000       1.452000      ?             ?      
1 1 1 6  4  67 o 0.8120000      1.613000      ?             ?      
1 1 1 6  4  68 o 0.2550000      1.977000      ?             ?      
1 1 1 6  4  69 o -0.6150000E-01 1.486000      ?             ?      
1 1 1 6  4  70 o 7.008000       1.439000      ?             ?      
1 1 1 6  4  71 o 5.652000       1.447000      ?             ?      
1 1 1 6  4  72 o 5.953000       1.455000      ?             ?      
1 1 1 6  4  73 o 2.454000       1.421000      ?             ?      
1 1 1 6  4  74 o 0.6445000E-01  1.413000      ?             ?      
1 1 1 6  4  76 o 3.026000       1.488000      ?             ?      
1 1 1 6  5  0  o 531.4000       12.06000      3299.341      -180.0 
1 1 1 6  5  1  o 85.41000       1.466000      1341.061      -164.5 
1 1 1 6  5  2  o 136.3000       2.413000      1283.729      34.8   
1 1 1 6  5  3  o 12.71000       0.3429000     287.8762      31.9   
1 1 1 6  5  4  o 62.00000       1.263000      1437.476      -158.6 
1 1 1 6  5  5  o 187.7000       3.514000      1898.637      -16.5  
1 1 1 6  5  6  o 116.1000       2.194000      1971.200      -97.9  
1 1 1 6  5  7  o 105.6000       2.113000      1652.393      160.3  
1 1 1 6  5  8  o 28.34000       0.6494000     705.1182      -108.0 
1 1 1 6  5  9  o 84.91000       1.730000      1602.835      -26.7  
1 1 1 6  5  10 o 212.5000       4.214000      2016.775      101.7  
1 1 1 6  5  11 o 67.57000       1.419000      1068.257      26.7   
1 1 1 6  5  12 o 8.183000       0.4473000     601.1113      -96.1  
1 1 1 6  5  13 o 59.75000       1.795000      997.8468      46.2   
1 1 1 6  5  14 o 48.25000       1.263000      725.0421      101.6  
1 1 1 6  5  15 o 82.58000       1.747000      1589.700      21.1   
1 1 1 6  5  16 o 1.551000       0.4521000     426.2709      -85.4  
1 1 1 6  5  17 o 20.21000       0.7367000     864.4761      45.2   
1 1 1 6  5  18 o 13.07000       0.9858000     654.9203      134.2  
1 1 1 6  5  19 o 35.70000       1.118000      736.4937      85.0   
1 1 1 6  5  20 o 73.90000       1.649000      1670.258      -66.5  
1 1 1 6  5  21 o 141.0000       2.919000      2021.903      -51.4  
1 1 1 6  5  22 o 47.58000       1.206000      1279.122      45.7   
1 1 1 6  5  23 o 27.51000       0.9812000     908.2927      106.8  
1 1 1 6  5  24 o 109.5000       2.361000      1696.471      -19.7  
1 1 1 6  5  25 o 336.8000       6.735000      2855.376      -145.4 
1 1 1 6  5  26 o 65.29000       1.600000      1096.900      -113.1 
1 1 1 6  5  27 o 27.04000       1.028000      480.5177      128.7  
1 1 1 6  5  28 o 348.6000       6.998000      2918.231      -23.0  
1 1 1 6  5  29 o 123.2000       2.713000      1513.576      153.5  
1 1 1 6  5  30 o 262.1000       5.361000      2184.750      -92.1  
1 1 1 6  5  31 o 9.556000       1.207000      682.2889      -91.5  
1 1 1 6  5  32 o 22.69000       2.100000      996.7391      91.0   
1 1 1 6  5  33 o 58.70000       2.031000      1209.596      -151.1 
1 1 1 6  5  34 o 49.89000       1.798000      1087.388      45.3   
1 1 1 6  5  35 o 62.05000       2.327000      1389.803      142.2  
1 1 1 6  5  36 o 216.0000       5.273000      2086.676      -45.6  
1 1 1 6  5  37 o 58.95000       2.544000      1080.314      148.5  
1 1 1 6  5  38 o 36.38000       1.551000      759.0366      45.7   
1 1 1 6  5  39 o 73.17000       1.959000      1088.005      0.5    
1 1 1 6  5  40 o 9.685000       1.099000      566.4148      -150.3 
1 1 1 6  5  41 o 13.07000       1.105000      345.9306      -152.2 
1 1 1 6  5  42 o 31.66000       1.304000      761.9167      21.6   
1 1 1 6  5  43 o 4.856000       1.027000      375.0183      73.1   
1 1 1 6  5  44 o 22.45000       1.192000      679.5048      -35.4  
1 1 1 6  5  45 o 80.61000       2.090000      1145.262      119.4  
1 1 1 6  5  46 o 12.53000       1.115000      646.8811      48.4   
1 1 1 6  5  47 o 35.77000       1.396000      859.9034      -82.5  
1 1 1 6  5  48 o 11.47000       1.281000      482.4131      -113.5 
1 1 1 6  5  49 o 21.16000       1.609000      737.6042      -95.5  
1 1 1 6  5  50 o 11.64000       1.248000      507.9787      155.1  
1 1 1 6  5  51 o 58.18000       1.810000      1002.701      75.7   
1 1 1 6  5  52 o 3.962000       1.267000      483.8814      -134.5 
1 1 1 6  5  53 o 4.629000       1.682000      357.2769      -156.4 
1 1 1 6  5  54 o 12.49000       1.528000      539.2596      -10.9  
1 1 1 6  5  55 o 22.91000       1.464000      570.9062      -27.9  
1 1 1 6  5  56 f 21.35000       1.579000      503.5405      -23.7  
1 1 1 6  5  57 o 0.1407000      1.442000      170.4550      -72.8  
1 1 1 6  5  58 o 5.130000       1.744000      332.3980      100.0  
1 1 1 6  5  59 o 5.888000       1.774000      512.3118      -76.9  
1 1 1 6  5  60 o 12.76000       1.617000      565.4007      -65.8  
1 1 1 6  5  61 o 2.012000       1.546000      179.7511      -92.6  
1 1 1 6  5  62 o 24.83000       1.636000      ?             ?      
1 1 1 6  5  63 o 18.48000       1.764000      ?             ?      
1 1 1 6  5  64 o 23.34000       2.062000      ?             ?      
1 1 1 6  5  65 o 7.856000       1.534000      ?             ?      
1 1 1 6  5  66 o 2.187000       1.388000      ?             ?      
1 1 1 6  5  67 o 6.785000       1.552000      ?             ?      
1 1 1 6  5  68 o -1.846000      2.262000      ?             ?      
1 1 1 6  5  69 o 0.2914000      1.608000      ?             ?      
1 1 1 6  5  70 o 6.234000       1.433000      ?             ?      
1 1 1 6  5  71 o 2.978000       1.414000      ?             ?      
1 1 1 6  5  72 o -1.079000      1.405000      ?             ?      
1 1 1 6  5  73 o 3.538000       1.424000      ?             ?      
1 1 1 6  5  74 o 7.636000       1.485000      ?             ?      
1 1 1 6  5  75 o 3.673000       2.051000      ?             ?      
1 1 1 6  5  76 o 0.3192000E-01  1.693000      ?             ?      
1 1 1 6  6  0  o 61.16000       1.563000      1177.109      -180.0 
1 1 1 6  6  1  o 35.08000       0.7909000     731.9269      175.7  
1 1 1 6  6  2  o 50.27000       0.9723000     1126.300      -53.0  
1 1 1 6  6  3  o 54.71000       1.136000      1374.724      -105.3 
1 1 1 6  6  4  o 43.64000       0.9763000     1447.573      113.8  
1 1 1 6  6  5  o 6.686000       0.2251000     389.9946      147.6  
1 1 1 6  6  6  o 95.56000       1.815000      1303.064      -84.0  
1 1 1 6  6  7  o 41.52000       0.8837000     1083.010      70.7   
1 1 1 6  6  8  o 199.6000       3.955000      2032.930      126.7  
1 1 1 6  6  9  o 9.972000       0.3554000     766.2700      -156.3 
1 1 1 6  6  10 o 44.72000       0.9795000     1187.505      170.8  
1 1 1 6  6  11 o 43.61000       1.057000      651.6599      146.4  
1 1 1 6  6  12 o 4.381000       0.4023000     256.8407      -128.3 
1 1 1 6  6  13 o 1.263000       0.4709000     628.2586      124.3  
1 1 1 6  6  14 o 3.975000       0.4673000     104.6960      -118.7 
1 1 1 6  6  15 o 15.35000       0.5641000     715.4123      -89.5  
1 1 1 6  6  16 o 107.5000       2.231000      1500.254      76.2   
1 1 1 6  6  17 o 116.1000       2.611000      1661.441      -5.1   
1 1 1 6  6  18 o 104.5000       2.847000      1530.661      103.4  
1 1 1 6  6  19 o 63.27000       1.881000      785.1074      -178.5 
1 1 1 6  6  20 o 18.88000       0.7926000     565.9384      136.6  
1 1 1 6  6  21 o 57.51000       1.369000      942.3688      -118.8 
1 1 1 6  6  22 o 139.2000       2.899000      1841.010      168.0  
1 1 1 6  6  23 o 212.3000       4.310000      1924.965      53.6   
1 1 1 6  6  24 o 6.679000       0.7076000     170.1827      -75.4  
1 1 1 6  6  25 o 164.9000       3.431000      1795.883      122.0  
1 1 1 6  6  26 o 30.19000       1.040000      1042.789      166.4  
1 1 1 6  6  27 o 44.41000       1.299000      1096.856      -27.5  
1 1 1 6  6  28 o 301.8000       6.102000      2329.163      21.8   
1 1 1 6  6  29 o 113.7000       2.757000      1451.212      -26.2  
1 1 1 6  6  30 o 82.14000       2.198000      1489.743      -173.9 
1 1 1 6  6  31 o 38.71000       1.783000      709.5862      -47.3  
1 1 1 6  6  32 o 170.3000       6.202000      1734.559      131.8  
1 1 1 6  6  33 o 112.0000       3.302000      1447.028      99.8   
1 1 1 6  6  34 o 103.8000       3.048000      1471.529      175.0  
1 1 1 6  6  35 o 59.74000       1.922000      1242.233      97.2   
1 1 1 6  6  36 o 63.99000       1.976000      1050.064      -88.3  
1 1 1 6  6  37 o 59.88000       2.339000      1441.168      138.9  
1 1 1 6  6  38 o 60.14000       2.029000      1056.626      -58.1  
1 1 1 6  6  39 o 10.69000       1.119000      378.7492      -168.5 
1 1 1 6  6  40 o 71.16000       2.052000      1677.895      167.0  
1 1 1 6  6  41 o 48.44000       1.537000      962.5829      -167.7 
1 1 1 6  6  42 o 9.674000       1.069000      483.1077      -138.8 
1 1 1 6  6  43 o 29.79000       1.276000      758.2632      90.5   
1 1 1 6  6  44 o 8.331000       1.054000      433.0904      -82.9  
1 1 1 6  6  45 o 9.585000       1.081000      395.9599      -6.1   
1 1 1 6  6  46 o 3.003000       1.048000      300.0842      -58.4  
1 1 1 6  6  47 o 43.63000       1.628000      892.7746      73.5   
1 1 1 6  6  48 o 6.354000       1.383000      264.2139      -55.9  
1 1 1 6  6  49 o 4.005000       1.259000      356.4011      -92.2  
1 1 1 6  6  50 o 1.791000       1.123000      244.3787      56.2   
1 1 1 6  6  51 o 20.88000       1.295000      642.4219      142.3  
1 1 1 6  6  52 o 5.493000       1.172000      370.8392      -144.9 
1 1 1 6  6  53 o 19.46000       1.593000      612.7018      48.8   
1 1 1 6  6  54 o 4.593000       1.715000      319.1191      140.8  
1 1 1 6  6  55 o 3.298000       1.383000      140.6467      -23.8  
1 1 1 6  6  56 o 6.147000       1.353000      360.8515      -113.7 
1 1 1 6  6  57 o 47.60000       1.855000      1037.685      71.8   
1 1 1 6  6  58 o 9.683000       1.553000      391.2773      -98.9  
1 1 1 6  6  59 o 7.179000       1.555000      394.6652      10.0   
1 1 1 6  6  60 o 17.73000       1.923000      555.9506      3.8    
1 1 1 6  6  61 o 8.539000       1.821000      518.2415      29.2   
1 1 1 6  6  62 o 1.307000       1.522000      ?             ?      
1 1 1 6  6  63 o -0.3122000     1.601000      ?             ?      
1 1 1 6  6  64 o 2.622000       1.619000      ?             ?      
1 1 1 6  6  65 o 5.783000       1.429000      ?             ?      
1 1 1 6  6  66 o 5.403000       1.408000      ?             ?      
1 1 1 6  6  67 o 1.010000       1.395000      ?             ?      
1 1 1 6  6  68 o 8.082000       1.686000      ?             ?      
1 1 1 6  6  69 o 4.172000       1.850000      ?             ?      
1 1 1 6  6  70 o 3.139000       1.500000      ?             ?      
1 1 1 6  6  71 o 2.317000       1.413000      ?             ?      
1 1 1 6  6  72 o 2.253000       1.405000      ?             ?      
1 1 1 6  6  73 o 3.902000       1.449000      ?             ?      
1 1 1 6  6  74 o -1.561000      1.433000      ?             ?      
1 1 1 6  6  75 o 0.2868000      1.442000      ?             ?      
1 1 1 6  6  76 o -0.4288000     1.669000      ?             ?      
1 1 1 6  7  0  o 25.14000       0.8895000     90.96209      -180.0 
1 1 1 6  7  1  o 19.13000       0.4962000     1169.512      8.8    
1 1 1 6  7  2  o 6.578000       0.2413000     568.5118      155.7  
1 1 1 6  7  3  o 2.852000       0.1904000     578.2205      43.9   
1 1 1 6  7  4  o 30.84000       0.8572000     1188.466      -36.3  
1 1 1 6  7  5  o 22.30000       0.5170000     1019.399      118.3  
1 1 1 6  7  6  o 12.42000       0.4132000     737.7264      -106.1 
1 1 1 6  7  7  o 21.26000       0.5137000     860.4082      -113.7 
1 1 1 6  7  8  o 51.87000       1.092000      1443.431      -148.4 
1 1 1 6  7  9  o 160.3000       3.197000      1760.381      -80.1  
1 1 1 6  7  10 o 10.30000       0.3837000     252.6993      -167.2 
1 1 1 6  7  11 o 9.285000       0.4294000     459.2274      -100.5 
1 1 1 6  7  12 o 2.080000       0.4254000     289.8418      -85.6  
1 1 1 6  7  13 o 10.27000       0.5171000     457.2079      35.1   
1 1 1 6  7  14 o 58.22000       1.281000      1264.138      136.9  
1 1 1 6  7  15 o 9.118000       0.4873000     39.08468      171.6  
1 1 1 6  7  16 o 9.240000       0.5114000     864.3549      33.0   
1 1 1 6  7  17 o 15.36000       0.6519000     717.9404      131.8  
1 1 1 6  7  18 o 16.41000       0.7120000     526.1849      -2.0   
1 1 1 6  7  19 o 15.44000       0.8913000     616.3121      -111.9 
1 1 1 6  7  20 o 20.48000       1.014000      732.9033      -61.5  
1 1 1 6  7  21 o 42.20000       1.274000      884.6153      127.8  
1 1 1 6  7  22 o 59.01000       1.413000      1370.039      62.6   
1 1 1 6  7  23 o 20.14000       0.8292000     719.4629      -159.9 
1 1 1 6  7  24 o 23.09000       0.8916000     772.6363      -1.8   
1 1 1 6  7  25 o 7.455000       0.7633000     535.2769      -50.3  
1 1 1 6  7  26 o 98.54000       2.394000      1472.116      4.6    
1 1 1 6  7  27 o 19.21000       1.135000      967.9777      -101.0 
1 1 1 6  7  28 f 27.38000       1.120000      1037.577      -24.1  
1 1 1 6  7  29 o 74.37000       2.034000      1441.019      144.9  
1 1 1 6  7  30 o 117.7000       4.319000      2008.452      91.0   
1 1 1 6  7  31 o 40.07000       2.669000      1031.478      -82.5  
1 1 1 6  7  32 o 8.932000       1.487000      328.8759      -67.5  
1 1 1 6  7  33 f 202.3000       4.310000      2071.891      -175.2 
1 1 1 6  7  34 o 91.67000       2.300000      1647.034      116.9  
1 1 1 6  7  35 o 100.7000       2.436000      1385.355      -14.8  
1 1 1 6  7  36 o 69.64000       1.915000      1118.033      -126.8 
1 1 1 6  7  37 o 17.11000       1.419000      182.5785      -133.0 
1 1 1 6  7  38 o 9.734000       1.550000      246.1578      -23.4  
1 1 1 6  7  39 o 6.008000       1.159000      296.5866      78.1   
1 1 1 6  7  40 o 27.89000       1.265000      414.8822      -41.1  
1 1 1 6  7  41 o 22.97000       1.200000      598.1455      -29.0  
1 1 1 6  7  42 o 23.36000       1.198000      865.7169      -145.4 
1 1 1 6  7  43 o 7.353000       1.049000      414.6306      -113.2 
1 1 1 6  7  44 o 21.87000       1.185000      476.8650      86.1   
1 1 1 6  7  45 o 14.44000       1.121000      503.1280      107.1  
1 1 1 6  7  46 o 19.36000       1.177000      602.3785      142.3  
1 1 1 6  7  47 o 12.74000       1.284000      374.8693      -67.2  
1 1 1 6  7  48 o 21.45000       1.588000      550.9365      -157.2 
1 1 1 6  7  49 o 13.51000       1.265000      385.6098      154.1  
1 1 1 6  7  50 o 22.59000       1.294000      620.3988      142.7  
1 1 1 6  7  51 o -0.3265000     1.134000      22.54424      89.1   
1 1 1 6  7  52 o 3.130000       1.185000      217.9463      118.7  
1 1 1 6  7  53 o 23.25000       1.532000      730.1464      -112.1 
1 1 1 6  7  54 o 7.033000       1.786000      429.1478      79.2   
1 1 1 6  7  55 o 36.10000       1.891000      841.4484      -99.6  
1 1 1 6  7  56 o 2.396000       1.336000      83.32618      -70.5  
1 1 1 6  7  57 o 10.88000       1.442000      565.4037      104.6  
1 1 1 6  7  58 o 13.30000       1.502000      501.2829      150.8  
1 1 1 6  7  59 o 31.53000       1.707000      794.0133      -44.1  
1 1 1 6  7  60 o 1.165000       1.528000      155.7457      173.2  
1 1 1 6  7  61 o 9.339000       1.555000      361.2768      -172.6 
1 1 1 6  7  62 o 5.478000       1.823000      ?             ?      
1 1 1 6  7  63 o -0.4103000E-01 1.754000      ?             ?      
1 1 1 6  7  64 o 7.910000       1.805000      ?             ?      
1 1 1 6  7  65 o 2.461000       1.509000      ?             ?      
1 1 1 6  7  66 o 12.58000       1.601000      ?             ?      
1 1 1 6  7  67 o 1.444000       1.393000      ?             ?      
1 1 1 6  7  68 o 2.480000       1.499000      ?             ?      
1 1 1 6  7  69 o 6.589000       2.041000      ?             ?      
1 1 1 6  7  70 o 2.121000       1.636000      ?             ?      
1 1 1 6  7  71 o 7.693000       1.456000      ?             ?      
1 1 1 6  7  72 o 0.9670000      1.417000      ?             ?      
1 1 1 6  7  73 o 1.871000       1.423000      ?             ?      
1 1 1 6  7  74 o 0.6674000      1.428000      ?             ?      
1 1 1 6  7  75 o 3.496000       1.602000      ?             ?      
1 1 1 6  7  76 o -0.9925000     1.861000      ?             ?      
1 1 1 6  8  0  o -0.2298000E-02 0.2177000     275.2490      180.0  
1 1 1 6  8  1  o 7.989000       0.2816000     419.3981      -125.0 
1 1 1 6  8  2  o 43.55000       1.057000      1278.331      -65.6  
1 1 1 6  8  3  o 15.41000       0.5088000     640.0838      -18.6  
1 1 1 6  8  4  o 12.23000       0.4626000     496.9925      162.7  
1 1 1 6  8  5  o 1.007000       0.1906000     272.7827      -39.1  
1 1 1 6  8  6  o 14.53000       0.4510000     771.6436      61.0   
1 1 1 6  8  7  o 0.2726000      0.2002000     232.1706      74.2   
1 1 1 6  8  8  o 19.52000       0.5459000     754.5781      -41.6  
1 1 1 6  8  9  o 6.348000       0.3074000     104.7997      44.4   
1 1 1 6  8  10 o 12.60000       0.4198000     331.5751      -130.8 
1 1 1 6  8  11 o 32.83000       0.8789000     808.5521      167.7  
1 1 1 6  8  12 o 3.780000       0.4273000     274.7064      51.3   
1 1 1 6  8  13 o 9.263000       0.4906000     286.7978      -54.5  
1 1 1 6  8  14 o 4.794000       0.4179000     480.2621      164.8  
1 1 1 6  8  15 o 6.374000       0.4584000     318.0483      -116.6 
1 1 1 6  8  16 o 20.89000       0.6642000     727.9270      13.9   
1 1 1 6  8  17 o 8.263000       0.5295000     683.0621      77.0   
1 1 1 6  8  18 o 17.05000       0.7167000     818.7385      174.2  
1 1 1 6  8  19 o 7.656000       0.8020000     35.44826      -93.1  
1 1 1 6  8  20 o 11.18000       0.8772000     459.7823      66.8   
1 1 1 6  8  21 o 6.628000       0.6902000     270.9059      107.9  
1 1 1 6  8  22 o 26.92000       0.8908000     667.6962      -72.4  
1 1 1 6  8  23 o 59.15000       1.442000      1312.688      101.5  
1 1 1 6  8  24 o 71.47000       1.829000      997.9893      90.8   
1 1 1 6  8  25 o 29.11000       1.169000      440.6332      167.0  
1 1 1 6  8  26 o 21.90000       1.056000      1030.351      90.8   
1 1 1 6  8  27 o 55.12000       1.875000      959.1519      50.2   
1 1 1 6  8  28 o 96.10000       2.447000      1337.757      26.3   
1 1 1 6  8  29 o 2.610000       1.043000      245.2507      125.4  
1 1 1 6  8  30 o 45.23000       1.849000      882.0865      167.5  
1 1 1 6  8  31 o 19.38000       1.369000      905.2926      -163.9 
1 1 1 6  8  32 o 174.9000       4.083000      1706.285      55.1   
1 1 1 6  8  33 o 15.99000       1.229000      563.6775      -125.5 
1 1 1 6  8  34 o 10.62000       1.185000      540.0761      178.4  
1 1 1 6  8  35 o 15.98000       1.182000      714.2872      -45.1  
1 1 1 6  8  36 o 38.38000       1.432000      774.8823      175.3  
1 1 1 6  8  37 o 10.62000       1.212000      492.3038      -36.0  
1 1 1 6  8  38 o 17.45000       1.605000      449.1253      -119.4 
1 1 1 6  8  39 o 36.95000       1.626000      692.5419      134.9  
1 1 1 6  8  40 o 41.45000       1.562000      906.6292      156.0  
1 1 1 6  8  41 o 4.751000       1.049000      334.2770      -31.6  
1 1 1 6  8  42 o 4.454000       1.040000      273.5847      12.6   
1 1 1 6  8  43 o 1.662000       1.015000      178.4610      26.7   
1 1 1 6  8  44 o 7.467000       1.054000      337.3289      5.9    
1 1 1 6  8  45 o 12.76000       1.109000      502.1789      36.6   
1 1 1 6  8  46 o 0.9760000      1.045000      220.8568      -141.3 
1 1 1 6  8  47 o 23.18000       1.430000      799.8093      -127.2 
1 1 1 6  8  48 o 14.77000       1.345000      514.3733      -94.4  
1 1 1 6  8  49 o 15.74000       1.224000      576.8015      145.0  
1 1 1 6  8  50 o 2.281000       1.120000      355.0960      -136.1 
1 1 1 6  8  51 o 10.09000       1.197000      451.4576      -92.7  
1 1 1 6  8  52 o 3.684000       1.190000      478.7191      102.3  
1 1 1 6  8  53 o 17.79000       1.362000      614.8741      139.9  
1 1 1 6  8  54 o 15.50000       1.627000      561.8773      -65.0  
1 1 1 6  8  55 o 0.5962000      1.806000      156.8007      176.5  
1 1 1 6  8  56 o 5.511000       1.451000      249.6907      -9.5   
1 1 1 6  8  57 o 1.696000       1.386000      160.3797      163.4  
1 1 1 6  8  58 o 3.071000       1.430000      195.8294      -152.6 
1 1 1 6  8  59 o 14.27000       1.553000      522.6602      -5.4   
1 1 1 6  8  60 o 11.72000       1.512000      444.9929      26.0   
1 1 1 6  8  61 o 4.291000       1.445000      359.8322      -14.6  
1 1 1 6  8  62 o 7.041000       1.656000      ?             ?      
1 1 1 6  8  63 o 4.552000       1.567000      ?             ?      
1 1 1 6  8  64 o 5.312000       1.490000      ?             ?      
1 1 1 6  8  65 o 5.715000       1.737000      ?             ?      
1 1 1 6  8  66 o 5.437000       1.698000      ?             ?      
1 1 1 6  8  67 o 3.346000       1.510000      ?             ?      
1 1 1 6  8  68 o 0.3316000      1.480000      ?             ?      
1 1 1 6  8  69 o 1.863000       1.619000      ?             ?      
1 1 1 6  8  70 o 0.3175000      1.847000      ?             ?      
1 1 1 6  8  71 o -1.296000      1.409000      ?             ?      
1 1 1 6  8  72 o 2.719000       1.439000      ?             ?      
1 1 1 6  8  73 o 0.6182000      1.421000      ?             ?      
1 1 1 6  8  74 o 2.271000       1.446000      ?             ?      
1 1 1 6  8  75 o 1.423000       2.339000      ?             ?      
1 1 1 6  8  76 o 3.669000       1.871000      ?             ?      
1 1 1 6  9  0  o 3.857000       0.2854000     608.2109      0.0    
1 1 1 6  9  1  o 3.130000       0.1922000     236.7346      132.0  
1 1 1 6  9  2  o 1.987000       0.1797000     287.9523      31.8   
1 1 1 6  9  3  o 7.023000       0.2819000     422.3821      34.2   
1 1 1 6  9  4  o 0.6330000      0.2027000     136.2942      36.8   
1 1 1 6  9  5  o 11.06000       0.3812000     351.8839      52.0   
1 1 1 6  9  6  o 2.263000       0.2397000     38.46357      2.5    
1 1 1 6  9  7  o 3.343000       0.2265000     322.3256      -173.8 
1 1 1 6  9  8  o 20.87000       0.4973000     692.9779      -135.9 
1 1 1 6  9  9  o 4.802000       0.2861000     36.22748      -45.4  
1 1 1 6  9  10 o 8.668000       0.3707000     417.6560      108.5  
1 1 1 6  9  11 o 2.610000       0.3618000     368.4386      -24.1  
1 1 1 6  9  12 o 4.303000       0.3933000     235.7374      -87.2  
1 1 1 6  9  13 o 6.014000       0.4066000     396.1298      3.6    
1 1 1 6  9  14 o -0.3101000E-01 0.3884000     273.5031      -102.7 
1 1 1 6  9  15 o 6.297000       0.4600000     376.8401      -25.5  
1 1 1 6  9  16 o 3.703000       0.4673000     378.4040      88.2   
1 1 1 6  9  17 o 21.50000       0.7026000     548.4709      176.7  
1 1 1 6  9  18 o 0.9727000      0.5592000     192.5946      145.6  
1 1 1 6  9  19 o 6.373000       0.6764000     368.0986      122.7  
1 1 1 6  9  20 o 12.45000       0.8577000     580.8779      102.8  
1 1 1 6  9  21 o 36.13000       1.381000      715.9991      152.6  
1 1 1 6  9  22 o 1.488000       0.6965000     110.4128      39.9   
1 1 1 6  9  23 o 9.362000       0.7340000     496.8414      -157.1 
1 1 1 6  9  24 o 5.247000       0.8785000     58.52427      -2.0   
1 1 1 6  9  25 o 36.96000       1.475000      694.8726      106.0  
1 1 1 6  9  26 o 22.68000       1.018000      700.8627      -52.5  
1 1 1 6  9  27 o 238.6000       6.312000      1866.108      -153.5 
1 1 1 6  9  28 o 21.22000       1.089000      618.7405      98.3   
1 1 1 6  9  29 o 8.966000       1.107000      570.9738      163.7  
1 1 1 6  9  30 o 32.60000       1.695000      971.9551      106.3  
1 1 1 6  9  31 o 8.381000       1.238000      263.4234      -38.6  
1 1 1 6  9  32 o 30.67000       1.419000      634.4872      131.2  
1 1 1 6  9  33 o 54.25000       1.686000      986.1672      96.2   
1 1 1 6  9  34 o 26.84000       1.290000      791.6210      -45.9  
1 1 1 6  9  35 o 9.433000       1.116000      316.3209      -83.8  
1 1 1 6  9  36 o 4.682000       1.079000      250.5170      -172.5 
1 1 1 6  9  37 o 29.28000       1.310000      545.8784      -72.7  
1 1 1 6  9  38 o 2.783000       1.286000      393.4912      56.9   
1 1 1 6  9  39 o 9.652000       1.547000      388.6046      -178.5 
1 1 1 6  9  40 o 2.525000       1.137000      140.7746      -30.9  
1 1 1 6  9  41 o 25.02000       1.229000      696.0063      -108.2 
1 1 1 6  9  42 o 24.15000       1.222000      585.0385      164.8  
1 1 1 6  9  43 o 4.385000       1.025000      327.5931      27.4   
1 1 1 6  9  44 o 25.25000       1.231000      733.5475      89.0   
1 1 1 6  9  45 o 2.846000       1.036000      84.46689      -75.0  
1 1 1 6  9  46 o 7.490000       1.188000      342.6261      86.9   
1 1 1 6  9  47 o 10.05000       1.451000      353.5946      -38.4  
1 1 1 6  9  48 o 4.066000       1.240000      221.7444      -53.6  
1 1 1 6  9  49 o 4.186000       1.129000      410.3896      -171.7 
1 1 1 6  9  50 o 3.410000       1.142000      255.3029      -171.8 
1 1 1 6  9  51 o 2.815000       1.163000      233.2487      44.0   
1 1 1 6  9  52 o 11.92000       1.277000      462.4543      -32.0  
1 1 1 6  9  53 o 14.80000       1.320000      460.4852      -143.8 
1 1 1 6  9  54 o 2.173000       1.385000      206.7409      167.8  
1 1 1 6  9  55 o 17.91000       2.023000      505.1586      -59.0  
1 1 1 6  9  56 o 5.907000       1.593000      367.1377      91.2   
1 1 1 6  9  57 o 1.772000       1.397000      226.8261      152.1  
1 1 1 6  9  58 o 1.355000       1.416000      149.7952      -44.0  
1 1 1 6  9  59 o 3.313000       1.454000      252.4285      -59.9  
1 1 1 6  9  60 o 7.361000       1.468000      468.2639      93.1   
1 1 1 6  9  61 o 3.310000       1.630000      ?             ?      
1 1 1 6  9  62 o 9.369000       1.947000      ?             ?      
1 1 1 6  9  63 o 1.940000       1.557000      ?             ?      
1 1 1 6  9  64 o 1.212000       1.390000      ?             ?      
1 1 1 6  9  65 o 1.350000       1.481000      ?             ?      
1 1 1 6  9  66 o 2.731000       1.471000      ?             ?      
1 1 1 6  9  67 o 2.804000       1.666000      ?             ?      
1 1 1 6  9  68 o 1.428000       1.626000      ?             ?      
1 1 1 6  9  69 o -0.5375000     1.589000      ?             ?      
1 1 1 6  9  70 o -1.141000      2.386000      ?             ?      
1 1 1 6  9  71 o 0.1418000E-01  1.547000      ?             ?      
1 1 1 6  9  72 o -1.174000      1.408000      ?             ?      
1 1 1 6  9  73 o 0.3267000      1.430000      ?             ?      
1 1 1 6  9  74 o 0.1159000      1.479000      ?             ?      
1 1 1 6  9  75 o -2.545000      1.681000      ?             ?      
1 1 1 6  9  76 o 1.072000       2.397000      ?             ?      
1 1 1 6  10 0  o 0.8283000      0.2741000     135.8853      0.0    
1 1 1 6  10 1  o 0.5024000      0.1849000     105.4862      -80.7  
1 1 1 6  10 2  o 0.2363000      0.1880000     164.1279      -95.9  
1 1 1 6  10 3  o 4.487000       0.2363000     334.5914      -45.2  
1 1 1 6  10 4  o -0.2622000     0.1993000     309.3619      143.6  
1 1 1 6  10 5  o 0.8537000      0.2277000     113.0246      -170.6 
1 1 1 6  10 6  o 0.1370000      0.2363000     163.3496      49.2   
1 1 1 6  10 7  o 0.8837000      0.2135000     308.7990      -47.4  
1 1 1 6  10 8  f 0.2112000      0.2203000     133.1271      13.9   
1 1 1 6  10 9  o 1.989000       0.2476000     229.0125      -43.4  
1 1 1 6  10 10 o 3.993000       0.3167000     284.6688      144.1  
1 1 1 6  10 11 o 0.3161000      0.3437000     143.5061      116.8  
1 1 1 6  10 12 o 4.593000       0.3929000     292.2740      -1.2   
1 1 1 6  10 13 o 1.488000       0.3650000     156.4364      -78.2  
1 1 1 6  10 14 o 3.279000       0.4076000     59.09021      80.9   
1 1 1 6  10 15 o 3.332000       0.4401000     129.8078      74.1   
1 1 1 6  10 16 o 2.729000       0.4680000     176.3161      -160.3 
1 1 1 6  10 17 o 1.812000       0.4919000     328.6091      162.2  
1 1 1 6  10 18 o 1.288000       0.5212000     68.52242      156.1  
1 1 1 6  10 19 o -0.3160000     0.7314000     209.7658      -118.1 
1 1 1 6  10 20 o 16.90000       1.138000      334.7794      126.4  
1 1 1 6  10 21 o 15.97000       1.646000      296.8012      -76.4  
1 1 1 6  10 22 o 7.059000       0.9707000     428.2713      -101.7 
1 1 1 6  10 23 o 30.06000       1.288000      477.9347      148.9  
1 1 1 6  10 24 o 19.81000       1.083000      432.5711      15.2   
1 1 1 6  10 25 o 24.58000       1.268000      303.6174      -145.3 
1 1 1 6  10 26 o 17.04000       0.9439000     372.9642      142.7  
1 1 1 6  10 27 o 11.88000       0.9362000     211.3598      18.2   
1 1 1 6  10 28 o 13.20000       1.099000      335.0985      -39.0  
1 1 1 6  10 29 o 5.862000       1.095000      97.26156      -138.9 
1 1 1 6  10 30 o 16.54000       1.442000      393.4323      36.5   
1 1 1 6  10 31 o 26.93000       1.353000      578.1497      132.0  
1 1 1 6  10 32 o 7.581000       1.123000      309.5670      85.4   
1 1 1 6  10 33 o 8.867000       1.128000      319.2649      7.5    
1 1 1 6  10 34 o 10.66000       1.121000      323.2323      -103.6 
1 1 1 6  10 35 o 22.61000       1.227000      352.5321      -75.8  
1 1 1 6  10 36 o 2.642000       1.052000      312.5417      112.9  
1 1 1 6  10 37 o 4.519000       1.057000      453.5663      -118.2 
1 1 1 6  10 38 o 2.283000       1.155000      179.9480      77.5   
1 1 1 6  10 39 o 25.87000       1.747000      558.4615      93.4   
1 1 1 6  10 40 o 6.454000       1.265000      445.6170      -88.2  
1 1 1 6  10 41 o 6.651000       1.060000      532.8989      39.8   
1 1 1 6  10 42 o 3.345000       1.025000      208.2492      -33.6  
1 1 1 6  10 43 o 2.076000       1.025000      156.4299      41.6   
1 1 1 6  10 44 o 4.347000       1.040000      287.0339      39.6   
1 1 1 6  10 45 o 4.144000       1.060000      122.3107      91.7   
1 1 1 6  10 46 o 5.805000       1.203000      186.0049      -155.4 
1 1 1 6  10 47 o 11.89000       1.291000      452.6347      -169.9 
1 1 1 6  10 48 o 3.367000       1.105000      140.5428      12.4   
1 1 1 6  10 49 o 6.687000       1.147000      236.1366      88.9   
1 1 1 6  10 50 o 0.6727000      1.117000      127.0943      142.6  
1 1 1 6  10 51 o 1.101000       1.158000      24.22620      -152.2 
1 1 1 6  10 52 o 8.097000       1.246000      199.8322      124.1  
1 1 1 6  10 53 o 5.493000       1.243000      251.7663      32.3   
1 1 1 6  10 54 o 3.868000       1.270000      215.9343      -86.4  
1 1 1 6  10 55 o 2.599000       1.616000      204.2611      -67.0  
1 1 1 6  10 56 o 3.987000       1.876000      198.6874      106.9  
1 1 1 6  10 57 o -0.4297000     1.473000      182.5322      142.3  
1 1 1 6  10 58 o 3.429000       1.421000      206.8016      23.4   
1 1 1 6  10 59 o 0.1195000      1.413000      130.0566      35.6   
1 1 1 6  10 60 o 0.7210000      1.422000      149.9645      95.9   
1 1 1 6  10 61 o 2.568000       1.623000      ?             ?      
1 1 1 6  10 62 o 7.727000       1.634000      ?             ?      
1 1 1 6  10 63 o -1.630000      1.376000      ?             ?      
1 1 1 6  10 64 o 1.193000       1.381000      ?             ?      
1 1 1 6  10 65 o 2.889000       1.402000      ?             ?      
1 1 1 6  10 66 o 2.345000       1.378000      ?             ?      
1 1 1 6  10 67 o -0.2511000     1.449000      ?             ?      
1 1 1 6  10 68 o 1.009000       1.449000      ?             ?      
1 1 1 6  10 69 o -0.6934000     2.110000      ?             ?      
1 1 1 6  10 70 o 1.563000       2.424000      ?             ?      
1 1 1 6  10 71 o 0.9879000      1.893000      ?             ?      
1 1 1 6  10 72 o 0.1208000      1.514000      ?             ?      
1 1 1 6  10 73 o 0.6305000      1.455000      ?             ?      
1 1 1 6  10 74 o 1.539000       1.666000      ?             ?      
1 1 1 6  10 75 o 2.126000       1.852000      ?             ?      
1 1 1 6  10 76 o 3.780000       1.922000      ?             ?      
1 1 1 6  11 0  o 0.5095000E-01  0.2916000     22.22651      -0.0   
1 1 1 6  11 1  o 1.174000       0.2099000     68.75864      -33.6  
1 1 1 6  11 2  f 0.7844000      0.2043000     245.5270      30.6   
1 1 1 6  11 3  o -0.1154000     0.2045000     53.87331      -62.0  
1 1 1 6  11 4  o 0.8991000E-01  0.2064000     86.87800      140.3  
1 1 1 6  11 5  o 0.7221000      0.2410000     70.27352      -73.0  
1 1 1 6  11 6  o 0.4176000      0.2504000     52.07028      -65.9  
1 1 1 6  11 7  o 0.3811000      0.2229000     139.7023      73.8   
1 1 1 6  11 8  o 0.1925000      0.2360000     202.8293      81.0   
1 1 1 6  11 9  o 0.8606000      0.2506000     114.6880      135.5  
1 1 1 6  11 10 o 0.4487000      0.2990000     150.6438      -87.0  
1 1 1 6  11 11 o 0.1923000E-02  0.3223000     72.51252      -27.6  
1 1 1 6  11 12 o -0.5625000E-01 0.3314000     58.49506      -75.9  
1 1 1 6  11 13 o 0.9661000      0.3653000     146.9691      52.3   
1 1 1 6  11 14 o 2.961000       0.4103000     204.9190      -14.4  
1 1 1 6  11 15 o 1.911000       0.4314000     266.4973      137.8  
1 1 1 6  11 16 o 2.242000       0.5212000     271.9986      170.3  
1 1 1 6  11 17 o 7.625000       0.8313000     285.7786      -54.5  
1 1 1 6  11 18 o 1.958000       0.5348000     186.0007      43.0   
1 1 1 6  11 19 o 0.8952000      0.8033000     302.8395      34.8   
1 1 1 6  11 20 o -0.1936000     0.8525000     269.0443      -77.9  
1 1 1 6  11 21 o 25.22000       1.316000      673.8778      17.5   
1 1 1 6  11 22 o 11.05000       1.043000      296.1533      164.0  
1 1 1 6  11 23 o 8.035000       0.8475000     260.6356      -64.9  
1 1 1 6  11 24 f 8.247000       0.7916000     465.6218      49.4   
1 1 1 6  11 25 o 21.10000       1.145000      281.4968      28.0   
1 1 1 6  11 26 o 62.25000       2.242000      516.9635      68.6   
1 1 1 6  11 27 o 14.03000       1.105000      310.4778      123.0  
1 1 1 6  11 28 o 12.19000       1.097000      308.1087      159.3  
1 1 1 6  11 29 o 7.658000       1.300000      82.34822      -9.2   
1 1 1 6  11 30 o 6.239000       1.187000      223.8045      137.5  
1 1 1 6  11 31 o 10.01000       1.258000      269.6934      121.8  
1 1 1 6  11 32 o 14.42000       1.186000      464.4203      65.6   
1 1 1 6  11 33 o 16.19000       1.150000      451.2162      5.7    
1 1 1 6  11 34 o 10.94000       1.103000      295.9456      -171.1 
1 1 1 6  11 35 o 8.731000       1.089000      352.2682      -162.4 
1 1 1 6  11 36 o 3.276000       1.048000      169.1177      -86.2  
1 1 1 6  11 37 o 8.130000       1.069000      169.5005      123.5  
1 1 1 6  11 38 o 22.70000       1.331000      367.6678      -13.5  
1 1 1 6  11 39 o 1.507000       1.469000      76.25842      76.6   
1 1 1 6  11 40 o 6.928000       1.502000      353.9552      155.1  
1 1 1 6  11 41 o 2.800000       1.123000      182.6446      -31.1  
1 1 1 6  11 42 o 8.354000       1.052000      333.6795      9.6    
1 1 1 6  11 43 o 8.333000       1.060000      390.6569      -2.1   
1 1 1 6  11 44 o 3.045000       1.044000      216.2786      -88.4  
1 1 1 6  11 45 o 13.54000       1.278000      315.1142      93.8   
1 1 1 6  11 46 o 3.972000       1.390000      270.5470      166.7  
1 1 1 6  11 47 o 4.918000       1.227000      194.9304      105.4  
1 1 1 6  11 48 o 6.551000       1.124000      219.3529      -105.7 
1 1 1 6  11 49 o 9.127000       1.159000      232.6572      -115.5 
1 1 1 6  11 50 o 4.725000       1.141000      282.6878      141.6  
1 1 1 6  11 51 o 2.068000       1.159000      258.7472      112.3  
1 1 1 6  11 52 o 2.211000       1.187000      219.8999      140.4  
1 1 1 6  11 53 o 2.573000       1.226000      106.3610      -111.8 
1 1 1 6  11 54 o 6.491000       1.280000      287.4307      106.0  
1 1 1 6  11 55 o -0.9180000     1.416000      54.22977      -91.8  
1 1 1 6  11 56 o 3.436000       1.916000      181.9299      177.4  
1 1 1 6  11 57 o 4.518000       1.611000      178.7952      -131.3 
1 1 1 6  11 58 o 2.874000       1.422000      174.4193      -11.5  
1 1 1 6  11 59 o 0.7055000      1.409000      166.1576      29.0   
1 1 1 6  11 60 o 4.273000       1.622000      198.3238      92.2   
1 1 1 6  11 61 o 1.697000       1.897000      ?             ?      
1 1 1 6  11 62 o 2.256000       1.604000      ?             ?      
1 1 1 6  11 63 o 3.950000       1.405000      ?             ?      
1 1 1 6  11 64 o 3.855000       1.395000      ?             ?      
1 1 1 6  11 65 o 2.309000       1.381000      ?             ?      
1 1 1 6  11 66 o -0.1762000     1.361000      ?             ?      
1 1 1 6  11 67 o 2.932000       1.371000      ?             ?      
1 1 1 6  11 68 o -1.177000      1.346000      ?             ?      
1 1 1 6  11 69 o 1.363000       1.468000      ?             ?      
1 1 1 6  11 70 o 0.5691000E-01  1.793000      ?             ?      
1 1 1 6  11 71 o 1.669000       2.091000      ?             ?      
1 1 1 6  11 72 o 0.4104000      2.125000      ?             ?      
1 1 1 6  11 73 o 1.500000       1.550000      ?             ?      
1 1 1 6  11 74 o 2.281000       2.347000      ?             ?      
1 1 1 6  11 75 o 1.863000       1.668000      ?             ?      
1 1 1 6  12 0  o 3.895000       0.3538000     283.4527      0.0    
1 1 1 6  12 1  o 1.540000       0.2312000     225.6919      112.2  
1 1 1 6  12 2  o 0.5520000      0.2168000     73.71971      79.6   
1 1 1 6  12 3  o 0.4939000      0.2174000     194.5136      148.8  
1 1 1 6  12 4  o 2.837000       0.2313000     517.5108      52.0   
1 1 1 6  12 5  o 0.8661000E-01  0.2673000     247.5689      31.7   
1 1 1 6  12 6  o 0.1631000      0.2655000     107.4881      55.8   
1 1 1 6  12 7  o 2.862000       0.3242000     105.8995      117.3  
1 1 1 6  12 8  o 0.6317000      0.2594000     189.5821      -42.5  
1 1 1 6  12 9  o 4.877000       0.3261000     393.6649      62.8   
1 1 1 6  12 10 o 0.2670000      0.2903000     82.89042      85.0   
1 1 1 6  12 11 o 6.807000       0.3793000     504.5663      114.8  
1 1 1 6  12 12 f 1.027000       0.3336000     205.8467      -22.2  
1 1 1 6  12 13 o 0.5246000      0.3711000     295.3138      -6.3   
1 1 1 6  12 14 o 3.909000       0.4702000     345.2019      -149.4 
1 1 1 6  12 15 o 3.983000       0.5094000     242.9020      -3.2   
1 1 1 6  12 16 o 33.25000       1.180000      598.3456      -5.4   
1 1 1 6  12 17 o 8.204000       0.7801000     456.4652      -151.9 
1 1 1 6  12 18 o 2.595000       0.6216000     87.45112      -124.2 
1 1 1 6  12 19 o 6.568000       0.8385000     557.2687      111.3  
1 1 1 6  12 20 o 10.68000       0.8085000     392.6662      33.7   
1 1 1 6  12 21 o 17.27000       1.096000      360.2309      -140.2 
1 1 1 6  12 22 o 23.06000       1.760000      431.6026      -82.7  
1 1 1 6  12 23 o 13.16000       1.120000      439.7494      102.9  
1 1 1 6  12 24 o 95.62000       3.073000      983.9109      169.5  
1 1 1 6  12 25 o 10.66000       1.127000      248.0438      -41.5  
1 1 1 6  12 26 o 7.002000       1.090000      370.0636      162.4  
1 1 1 6  12 27 o 11.36000       1.089000      499.8807      -103.9 
1 1 1 6  12 28 o 29.65000       1.445000      722.8912      -33.7  
1 1 1 6  12 29 o 17.13000       1.277000      432.2625      80.5   
1 1 1 6  12 30 o 22.42000       1.227000      520.0403      160.4  
1 1 1 6  12 31 o 9.244000       1.116000      657.8141      -168.0 
1 1 1 6  12 32 o 9.740000       1.113000      354.4500      -105.0 
1 1 1 6  12 33 o 16.52000       1.205000      477.1053      -110.8 
1 1 1 6  12 34 o 1.507000       1.038000      324.9709      -30.6  
1 1 1 6  12 35 o 10.18000       1.086000      216.4911      -150.8 
1 1 1 6  12 36 o 5.381000       1.052000      249.7588      -78.3  
1 1 1 6  12 37 o 0.3229000      1.022000      141.1005      152.4  
1 1 1 6  12 38 o 17.82000       1.157000      424.0958      -105.6 
1 1 1 6  12 39 o 8.035000       1.168000      266.1702      150.4  
1 1 1 6  12 40 o 3.222000       1.489000      369.6595      88.4   
1 1 1 6  12 41 o 14.77000       1.332000      439.3381      131.9  
1 1 1 6  12 42 o 4.914000       1.037000      308.8004      -175.8 
1 1 1 6  12 43 o 8.155000       1.067000      344.4710      108.3  
1 1 1 6  12 44 o 16.16000       1.177000      514.6212      -154.1 
1 1 1 6  12 45 o 12.10000       1.268000      496.0196      -80.9  
1 1 1 6  12 46 o 6.692000       1.255000      219.7533      -112.1 
1 1 1 6  12 47 o 4.496000       1.098000      179.4539      113.7  
1 1 1 6  12 48 o 5.374000       1.112000      315.2318      75.8   
1 1 1 6  12 49 o 4.985000       1.128000      277.9585      -112.3 
1 1 1 6  12 50 o 2.282000       1.131000      213.5854      -155.8 
1 1 1 6  12 51 o 2.289000       1.167000      199.5515      -57.0  
1 1 1 6  12 52 o 9.711000       1.249000      352.1638      -100.6 
1 1 1 6  12 53 o 6.714000       1.249000      329.7863      -169.0 
1 1 1 6  12 54 o 10.58000       1.332000      427.2492      -53.0  
1 1 1 6  12 55 o 1.344000       1.301000      140.0740      -120.6 
1 1 1 6  12 56 o 3.863000       1.927000      191.3110      -130.4 
1 1 1 6  12 57 o -0.6117000     1.897000      136.0921      -49.5  
1 1 1 6  12 58 o 6.092000       1.532000      362.2952      19.6   
1 1 1 6  12 59 o 2.160000       1.414000      266.3683      121.2  
1 1 1 6  12 60 o 2.584000       1.611000      202.4536      -69.5  
1 1 1 6  12 61 o 2.628000       1.616000      ?             ?      
1 1 1 6  12 62 o -0.1969000     1.385000      ?             ?      
1 1 1 6  12 63 o 4.442000       1.389000      ?             ?      
1 1 1 6  12 64 o -0.6184000E-01 1.365000      ?             ?      
1 1 1 6  12 65 o 1.887000       1.357000      ?             ?      
1 1 1 6  12 66 o 6.081000       1.399000      ?             ?      
1 1 1 6  12 67 o 0.1098000      1.345000      ?             ?      
1 1 1 6  12 68 o 3.275000       1.364000      ?             ?      
1 1 1 6  12 69 o 2.643000       1.378000      ?             ?      
1 1 1 6  12 70 o 1.748000       1.505000      ?             ?      
1 1 1 6  12 71 o 1.738000       1.936000      ?             ?      
1 1 1 6  12 72 o 1.996000       1.863000      ?             ?      
1 1 1 6  12 73 o -1.215000      1.921000      ?             ?      
1 1 1 6  12 74 o 0.9463000E-01  1.956000      ?             ?      
1 1 1 6  12 75 o -0.9964000     2.767000      ?             ?      
1 1 1 6  13 0  o 17.39000       0.6420000     1014.971      0.0    
1 1 1 6  13 1  o 1.311000       0.2505000     103.6121      -99.5  
1 1 1 6  13 2  o 8.268000       0.3094000     653.6650      107.2  
1 1 1 6  13 3  o 2.426000       0.2417000     221.9047      -131.5 
1 1 1 6  13 4  o 3.876000       0.2568000     353.0920      -1.5   
1 1 1 6  13 5  o 1.571000       0.2425000     292.1043      73.5   
1 1 1 6  13 6  o 26.77000       0.7345000     870.8018      115.5  
1 1 1 6  13 7  o 4.098000       0.3141000     201.7471      -29.2  
1 1 1 6  13 8  o 21.73000       0.7949000     709.8895      -141.1 
1 1 1 6  13 9  o 23.81000       0.6671000     830.6405      44.0   
1 1 1 6  13 10 o 5.130000       0.3428000     505.1284      -144.5 
1 1 1 6  13 11 o -0.2744000     0.3964000     171.2371      -132.3 
1 1 1 6  13 12 o 2.135000       0.4472000     150.1088      -5.4   
1 1 1 6  13 13 o 36.33000       1.031000      1164.152      -12.0  
1 1 1 6  13 14 o 10.57000       0.7191000     542.2509      97.9   
1 1 1 6  13 15 o 62.02000       1.516000      926.3997      171.8  
1 1 1 6  13 16 o 17.45000       0.8067000     627.6585      -64.6  
1 1 1 6  13 17 o 21.84000       0.8866000     643.0391      23.9   
1 1 1 6  13 18 o 24.59000       0.9113000     759.0328      153.4  
1 1 1 6  13 19 o 22.96000       0.9069000     741.3658      100.3  
1 1 1 6  13 20 o 9.710000       0.8446000     138.5580      149.2  
1 1 1 6  13 21 o 46.24000       1.679000      855.7001      25.1   
1 1 1 6  13 22 o 27.07000       1.255000      890.4764      -153.5 
1 1 1 6  13 23 o 51.26000       1.623000      1072.987      -61.0  
1 1 1 6  13 24 o 83.77000       2.152000      1394.061      70.7   
1 1 1 6  13 25 o 23.85000       1.018000      576.4678      -54.8  
1 1 1 6  13 26 o 50.30000       1.445000      1152.577      92.2   
1 1 1 6  13 27 o 44.28000       1.542000      1053.649      26.5   
1 1 1 6  13 28 o 6.557000       1.272000      548.0623      -49.0  
1 1 1 6  13 29 o 19.80000       1.302000      372.2970      -145.7 
1 1 1 6  13 30 o 11.22000       1.116000      111.1180      51.9   
1 1 1 6  13 31 o 49.28000       1.582000      1017.559      126.5  
1 1 1 6  13 32 o 27.85000       1.260000      805.6626      104.1  
1 1 1 6  13 33 o 28.73000       1.272000      449.9686      51.3   
1 1 1 6  13 34 o 25.02000       1.311000      630.6133      138.1  
1 1 1 6  13 35 o 8.493000       1.081000      489.4571      20.3   
1 1 1 6  13 36 o 15.99000       1.128000      660.4191      -63.0  
1 1 1 6  13 37 o 30.56000       1.278000      866.7395      -43.4  
1 1 1 6  13 38 o 2.375000       1.011000      38.70768      118.5  
1 1 1 6  13 39 o 7.430000       1.141000      196.5562      -115.4 
1 1 1 6  13 40 o 5.598000       1.491000      261.8966      -14.0  
1 1 1 6  13 41 o 41.46000       1.998000      1015.511      -37.2  
1 1 1 6  13 42 o 2.590000       1.135000      215.1267      133.2  
1 1 1 6  13 43 o 19.29000       1.177000      634.4869      -3.6   
1 1 1 6  13 44 f 21.20000       1.349000      480.7623      1.4    
1 1 1 6  13 45 o 8.250000       1.413000      361.7464      -179.0 
1 1 1 6  13 46 o 4.522000       1.225000      251.7567      78.7   
1 1 1 6  13 47 o 3.611000       1.094000      295.9984      -10.2  
1 1 1 6  13 48 o 3.832000       1.101000      257.9239      -49.4  
1 1 1 6  13 49 o 4.465000       1.126000      332.0923      21.8   
1 1 1 6  13 50 o 2.010000       1.139000      175.2491      143.2  
1 1 1 6  13 51 o 4.153000       1.188000      276.1417      -55.8  
1 1 1 6  13 52 o 1.226000       1.203000      102.9933      -14.0  
1 1 1 6  13 53 o 0.4781000      1.222000      168.0257      11.1   
1 1 1 6  13 54 o 12.10000       1.343000      441.2335      -91.7  
1 1 1 6  13 55 o 6.399000       1.330000      399.5346      -95.1  
1 1 1 6  13 56 o -0.3945000     1.475000      67.37907      109.5  
1 1 1 6  13 57 o 3.743000       1.844000      178.7152      24.8   
1 1 1 6  13 58 o 3.025000       1.511000      151.1341      -118.7 
1 1 1 6  13 59 o 5.534000       1.651000      310.6523      -13.6  
1 1 1 6  13 60 o 3.744000       1.918000      ?             ?      
1 1 1 6  13 61 o 7.300000       1.634000      ?             ?      
1 1 1 6  13 62 o 5.012000       1.402000      ?             ?      
1 1 1 6  13 63 o 1.715000       1.386000      ?             ?      
1 1 1 6  13 64 o 0.1390000      1.350000      ?             ?      
1 1 1 6  13 65 o 0.8789000      1.351000      ?             ?      
1 1 1 6  13 66 o 1.727000       1.363000      ?             ?      
1 1 1 6  13 67 o -0.4318000     1.339000      ?             ?      
1 1 1 6  13 68 o 0.3086000      1.333000      ?             ?      
1 1 1 6  13 69 o 1.771000       1.358000      ?             ?      
1 1 1 6  13 70 o 4.760000       1.395000      ?             ?      
1 1 1 6  13 71 o -0.4546000     1.649000      ?             ?      
1 1 1 6  13 72 o -0.9414000     1.873000      ?             ?      
1 1 1 6  13 73 o 0.2486000      1.827000      ?             ?      
1 1 1 6  13 74 o 0.7176000      2.327000      ?             ?      
1 1 1 6  13 75 o 0.4693000      1.571000      ?             ?      
1 1 1 6  14 0  o 20.66000       0.7430000     597.1051      0.0    
1 1 1 6  14 1  o 15.16000       0.4362000     542.5728      -133.4 
1 1 1 6  14 2  o 1.252000       0.2661000     182.8827      116.8  
1 1 1 6  14 3  o 25.52000       0.5847000     801.0587      32.3   
1 1 1 6  14 4  o 3.547000       0.2699000     273.4256      122.3  
1 1 1 6  14 5  o 39.58000       0.7929000     999.9309      143.5  
1 1 1 6  14 6  o 3.648000       0.3178000     359.6329      151.3  
1 1 1 6  14 7  o 0.9147000      0.3537000     41.71704      -28.0  
1 1 1 6  14 8  o 3.743000       0.4231000     242.5879      60.3   
1 1 1 6  14 9  o 37.34000       1.319000      765.5720      -142.2 
1 1 1 6  14 10 o 14.52000       0.5584000     586.8295      101.4  
1 1 1 6  14 11 o 43.24000       1.083000      1242.900      15.4   
1 1 1 6  14 12 o 29.41000       1.007000      1273.109      14.3   
1 1 1 6  14 13 o 3.403000       0.4038000     363.7682      -27.9  
1 1 1 6  14 14 o 12.88000       0.6718000     773.9799      140.4  
1 1 1 6  14 15 o 29.71000       0.8873000     785.0696      19.2   
1 1 1 6  14 16 o 78.50000       1.861000      1460.685      3.6    
1 1 1 6  14 17 o 103.0000       2.185000      1195.007      -139.0 
1 1 1 6  14 18 o 53.30000       1.412000      1224.916      107.6  
1 1 1 6  14 19 o 32.38000       1.069000      924.6545      142.5  
1 1 1 6  14 20 o 105.2000       2.464000      1363.311      -27.4  
1 1 1 6  14 21 o 21.07000       0.9418000     607.6874      -168.3 
1 1 1 6  14 22 o 67.83000       2.184000      1223.272      32.2   
1 1 1 6  14 23 o 269.6000       7.097000      2199.100      124.8  
1 1 1 6  14 24 o 63.31000       1.757000      1308.541      -171.3 
1 1 1 6  14 25 o 13.50000       1.311000      158.2184      -12.1  
1 1 1 6  14 26 o 6.083000       0.9012000     87.65479      120.2  
1 1 1 6  14 27 o 60.41000       2.109000      1055.054      -64.9  
1 1 1 6  14 28 o 41.33000       2.647000      790.1069      -141.1 
1 1 1 6  14 29 o 34.50000       1.632000      981.7529      -73.9  
1 1 1 6  14 30 o 32.85000       1.326000      1075.195      -131.2 
1 1 1 6  14 31 o 22.60000       1.276000      850.3611      179.5  
1 1 1 6  14 32 o 2.978000       1.032000      161.3671      -126.0 
1 1 1 6  14 33 o 11.97000       1.089000      763.6772      -149.1 
1 1 1 6  14 34 o 16.64000       1.126000      592.7196      109.3  
1 1 1 6  14 35 o 74.61000       1.943000      1396.213      3.5    
1 1 1 6  14 36 o 65.61000       1.804000      1057.054      -19.0  
1 1 1 6  14 37 o 42.01000       1.425000      1079.536      -167.5 
1 1 1 6  14 38 o 4.034000       1.005000      339.4986      128.0  
1 1 1 6  14 39 o 11.41000       1.073000      530.3011      145.1  
1 1 1 6  14 40 o 9.854000       1.155000      618.5592      170.9  
1 1 1 6  14 41 o 15.77000       1.527000      560.7327      -174.0 
1 1 1 6  14 42 o 20.04000       1.308000      637.5135      25.0   
1 1 1 6  14 43 o 13.82000       1.143000      684.6276      169.4  
1 1 1 6  14 44 o 6.794000       1.199000      276.3421      163.3  
1 1 1 6  14 45 o 2.144000       1.194000      142.9785      143.9  
1 1 1 6  14 46 o 6.182000       1.097000      284.2527      119.9  
1 1 1 6  14 47 o 17.91000       1.206000      693.5221      149.5  
1 1 1 6  14 48 o 12.65000       1.158000      472.7824      -177.7 
1 1 1 6  14 49 o 15.32000       1.212000      606.6816      -114.4 
1 1 1 6  14 50 o 3.706000       1.161000      136.9016      -178.3 
1 1 1 6  14 51 o 24.85000       1.364000      721.3127      -78.9  
1 1 1 6  14 52 o 2.977000       1.206000      276.9615      10.7   
1 1 1 6  14 53 o 1.980000       1.225000      151.1070      -25.5  
1 1 1 6  14 54 o 20.88000       1.433000      627.7294      -93.6  
1 1 1 6  14 55 o 5.620000       1.328000      176.4390      -58.2  
1 1 1 6  14 56 o 8.442000       1.524000      385.9933      -83.5  
1 1 1 6  14 57 o 1.633000       1.939000      155.1962      161.3  
1 1 1 6  14 58 o 7.402000       1.971000      235.6692      -3.3   
1 1 1 6  14 59 o 6.060000       1.797000      200.3985      157.8  
1 1 1 6  14 60 o -0.3521000     1.590000      ?             ?      
1 1 1 6  14 61 o 6.572000       1.427000      ?             ?      
1 1 1 6  14 62 o 7.705000       1.420000      ?             ?      
1 1 1 6  14 63 o 1.404000       1.379000      ?             ?      
1 1 1 6  14 64 o 12.47000       1.465000      ?             ?      
1 1 1 6  14 65 o 9.298000       1.415000      ?             ?      
1 1 1 6  14 66 o 0.6524000      1.342000      ?             ?      
1 1 1 6  14 67 o 1.600000       1.362000      ?             ?      
1 1 1 6  14 68 o 0.9739000      1.354000      ?             ?      
1 1 1 6  14 69 o 3.647000       1.371000      ?             ?      
1 1 1 6  14 70 o 2.179000       1.373000      ?             ?      
1 1 1 6  14 71 o 6.508000       1.580000      ?             ?      
1 1 1 6  14 72 o 1.411000       2.787000      ?             ?      
1 1 1 6  14 73 o 3.569000       2.702000      ?             ?      
1 1 1 6  14 74 o 1.403000       1.658000      ?             ?      
1 1 1 6  14 75 o 2.892000       1.478000      ?             ?      
1 1 1 6  15 0  o 18.21000       0.7099000     600.6953      -0.0   
1 1 1 6  15 1  o 29.73000       0.6961000     798.0339      121.5  
1 1 1 6  15 2  o 22.20000       0.5640000     889.4254      54.2   
1 1 1 6  15 3  o 16.23000       0.4676000     700.9200      -120.1 
1 1 1 6  15 4  o 15.31000       0.4360000     493.4340      -16.4  
1 1 1 6  15 5  o 20.70000       0.6118000     580.6729      -154.1 
1 1 1 6  15 6  o 20.38000       0.7672000     761.7822      2.4    
1 1 1 6  15 7  o 23.51000       0.7952000     712.9731      -11.0  
1 1 1 6  15 8  o -0.1738000     0.3951000     74.70628      90.7   
1 1 1 6  15 9  o 0.8567000      0.7983000     137.0652      67.2   
1 1 1 6  15 10 o 18.49000       0.7273000     643.4062      -179.5 
1 1 1 6  15 11 o 93.34000       2.008000      1365.916      117.4  
1 1 1 6  15 12 o 71.58000       1.660000      1329.398      42.9   
1 1 1 6  15 13 o 147.6000       2.993000      1445.089      -139.0 
1 1 1 6  15 14 o 88.74000       1.879000      943.3984      133.9  
1 1 1 6  15 15 o 51.19000       1.378000      971.2093      -141.1 
1 1 1 6  15 16 o 140.9000       2.903000      1647.782      -21.6  
1 1 1 6  15 17 o 123.9000       2.575000      1561.452      121.5  
1 1 1 6  15 18 o 116.0000       2.652000      1557.935      164.3  
1 1 1 6  15 19 o 343.7000       6.852000      2463.601      171.1  
1 1 1 6  15 20 o 60.83000       1.468000      1282.611      -147.2 
1 1 1 6  15 21 o 30.62000       1.218000      904.0670      -118.4 
1 1 1 6  15 22 o 207.9000       4.944000      1707.277      -173.2 
1 1 1 6  15 23 o 161.2000       4.188000      1986.849      36.9   
1 1 1 6  15 24 o 13.27000       1.103000      570.3430      -144.0 
1 1 1 6  15 25 o 93.04000       2.349000      1265.891      -117.7 
1 1 1 6  15 26 o 39.20000       1.435000      1120.852      45.8   
1 1 1 6  15 27 o 146.1000       4.369000      1669.568      -46.4  
1 1 1 6  15 28 o 36.70000       1.516000      1048.877      59.2   
1 1 1 6  15 29 o 11.77000       1.109000      327.7861      -120.9 
1 1 1 6  15 30 o 7.355000       1.092000      368.4148      74.6   
1 1 1 6  15 31 o 8.815000       1.047000      187.4201      122.0  
1 1 1 6  15 32 o 30.49000       1.268000      653.4954      9.9    
1 1 1 6  15 33 o 5.715000       1.039000      371.8465      -26.1  
1 1 1 6  15 34 o 32.58000       1.282000      985.0024      97.5   
1 1 1 6  15 35 o 39.64000       1.388000      987.6125      34.0   
1 1 1 6  15 36 o 24.01000       1.175000      591.0252      -114.9 
1 1 1 6  15 37 o 11.43000       1.052000      351.2556      -51.7  
1 1 1 6  15 38 o 3.440000       0.9870000     161.1424      -57.5  
1 1 1 6  15 39 o 6.549000       1.014000      358.0393      135.2  
1 1 1 6  15 40 o 36.77000       1.490000      839.9644      146.6  
1 1 1 6  15 41 o 35.63000       1.889000      743.7083      -128.6 
1 1 1 6  15 42 o 8.582000       1.543000      340.2126      24.6   
1 1 1 6  15 43 o 24.18000       1.559000      724.3145      1.1    
1 1 1 6  15 44 o 13.63000       1.457000      713.3332      -41.9  
1 1 1 6  15 45 o 9.635000       1.247000      448.3886      145.3  
1 1 1 6  15 46 o 18.24000       1.204000      664.1639      -72.8  
1 1 1 6  15 47 o 8.464000       1.116000      481.8799      -104.1 
1 1 1 6  15 48 o 8.698000       1.127000      260.1043      32.7   
1 1 1 6  15 49 o 26.33000       1.357000      845.1490      -59.4  
1 1 1 6  15 50 o 9.624000       1.205000      460.7638      134.1  
1 1 1 6  15 51 o 15.30000       1.268000      393.5996      162.9  
1 1 1 6  15 52 o 10.61000       1.256000      577.6346      -11.4  
1 1 1 6  15 53 o 7.869000       1.257000      358.6919      -4.7   
1 1 1 6  15 54 o 2.087000       1.281000      234.4304      -22.5  
1 1 1 6  15 55 o 9.246000       1.369000      287.9551      -29.0  
1 1 1 6  15 56 o 31.27000       1.645000      791.9025      24.4   
1 1 1 6  15 57 o 7.424000       1.564000      477.1985      59.5   
1 1 1 6  15 58 o 7.672000       2.506000      384.5388      -108.9 
1 1 1 6  15 59 o 3.383000       2.245000      216.1287      -64.9  
1 1 1 6  15 60 o 0.9138000      1.563000      ?             ?      
1 1 1 6  15 61 o 3.375000       1.382000      ?             ?      
1 1 1 6  15 62 o 3.846000       1.388000      ?             ?      
1 1 1 6  15 63 o 10.35000       1.437000      ?             ?      
1 1 1 6  15 64 o 5.723000       1.393000      ?             ?      
1 1 1 6  15 65 o 2.168000       1.366000      ?             ?      
1 1 1 6  15 66 o 0.2977000      1.340000      ?             ?      
1 1 1 6  15 67 o 8.955000       1.405000      ?             ?      
1 1 1 6  15 68 o 3.085000       1.365000      ?             ?      
1 1 1 6  15 69 o 3.699000       1.381000      ?             ?      
1 1 1 6  15 70 o 2.069000       1.365000      ?             ?      
1 1 1 6  15 71 o 5.446000       1.424000      ?             ?      
1 1 1 6  15 72 o 0.3032000      2.002000      ?             ?      
1 1 1 6  15 73 o -0.3472000     2.566000      ?             ?      
1 1 1 6  15 74 o 0.8136000      1.573000      ?             ?      
1 1 1 6  16 0  o 1.381000       0.4538000     218.5060      180.0  
1 1 1 6  16 1  o 9.372000       0.3914000     673.5187      24.9   
1 1 1 6  16 2  o 52.99000       1.137000      850.4336      -98.7  
1 1 1 6  16 3  o 11.64000       0.4411000     460.8562      52.0   
1 1 1 6  16 4  o 30.99000       0.8853000     986.8442      177.4  
1 1 1 6  16 5  o 41.30000       1.003000      1169.891      131.4  
1 1 1 6  16 6  o 22.35000       0.8255000     519.2957      103.5  
1 1 1 6  16 7  o 127.5000       3.656000      1497.823      169.8  
1 1 1 6  16 8  o 20.84000       0.8388000     523.5726      151.4  
1 1 1 6  16 9  o 6.797000       0.8182000     507.9297      -129.7 
1 1 1 6  16 10 o 28.25000       0.9523000     806.8809      41.1   
1 1 1 6  16 11 o 44.93000       0.9720000     997.0814      86.0   
1 1 1 6  16 12 o 188.3000       3.578000      2029.846      -65.5  
1 1 1 6  16 13 o 57.78000       1.222000      1305.041      -148.0 
1 1 1 6  16 14 o 46.51000       1.093000      911.2514      -66.8  
1 1 1 6  16 15 o 79.83000       1.722000      1329.685      13.7   
1 1 1 6  16 16 o 151.1000       3.094000      1578.687      -8.2   
1 1 1 6  16 17 o 265.8000       5.315000      2248.110      -107.9 
1 1 1 6  16 18 o 93.06000       2.180000      1455.603      135.0  
1 1 1 6  16 19 o 13.17000       0.7903000     754.5622      -155.7 
1 1 1 6  16 20 o 441.9000       8.766000      3154.520      -82.1  
1 1 1 6  16 21 o 17.60000       0.8451000     863.5093      105.7  
1 1 1 6  16 22 o 209.7000       4.659000      1864.396      53.8   
1 1 1 6  16 23 o 29.01000       1.278000      615.2324      147.0  
1 1 1 6  16 24 o 26.95000       1.464000      636.4992      137.5  
1 1 1 6  16 25 o 102.3000       2.533000      1353.284      -0.8   
1 1 1 6  16 26 o 16.05000       1.123000      523.2353      -61.9  
1 1 1 6  16 27 f 106.5000       3.336000      1000.476      -110.3 
1 1 1 6  16 28 o 116.4000       2.889000      1572.598      156.3  
1 1 1 6  16 29 o 76.97000       1.992000      1445.039      93.1   
1 1 1 6  16 30 o 13.44000       1.122000      364.8970      -154.4 
1 1 1 6  16 31 o 22.47000       1.169000      540.7970      68.6   
1 1 1 6  16 32 o 31.30000       1.270000      664.9318      -39.4  
1 1 1 6  16 33 o 14.84000       1.083000      430.2291      -176.5 
1 1 1 6  16 34 o 12.68000       1.064000      425.9048      94.1   
1 1 1 6  16 35 o 2.413000       0.9950000     246.5615      123.6  
1 1 1 6  16 36 o 70.60000       1.856000      1217.330      -158.9 
1 1 1 6  16 37 o 5.656000       0.9938000     435.5500      152.6  
1 1 1 6  16 38 o 9.879000       1.021000      377.2599      -165.3 
1 1 1 6  16 39 o 38.79000       1.372000      871.4596      -44.1  
1 1 1 6  16 40 o 28.63000       1.244000      707.9977      -108.4 
1 1 1 6  16 41 o 28.50000       1.386000      724.8167      -167.3 
1 1 1 6  16 42 o 11.75000       1.519000      407.1768      54.2   
1 1 1 6  16 43 o 47.08000       2.022000      1003.610      114.0  
1 1 1 6  16 44 o 21.69000       1.402000      712.5991      47.0   
1 1 1 6  16 45 o 20.64000       1.226000      617.4994      -51.7  
1 1 1 6  16 46 o 7.752000       1.097000      396.0966      -176.3 
1 1 1 6  16 47 o 7.249000       1.107000      375.8259      106.8  
1 1 1 6  16 48 o 10.09000       1.153000      561.5646      112.7  
1 1 1 6  16 49 o 64.81000       1.923000      1173.846      -155.2 
1 1 1 6  16 50 f 25.94000       1.375000      818.6863      -18.4  
1 1 1 6  16 51 o 1.390000       1.187000      218.7501      100.8  
1 1 1 6  16 52 o 18.73000       1.348000      681.4323      75.5   
1 1 1 6  16 53 o 5.464000       1.271000      186.7645      179.7  
1 1 1 6  16 54 o 1.356000       1.288000      116.1479      177.7  
1 1 1 6  16 55 o 14.12000       1.409000      539.7061      123.6  
1 1 1 6  16 56 o 4.819000       1.382000      374.0692      154.2  
1 1 1 6  16 57 o 7.274000       1.557000      236.9707      155.8  
1 1 1 6  16 58 o 16.08000       2.863000      496.3214      -69.8  
1 1 1 6  16 59 o 4.263000       2.623000      ?             ?      
1 1 1 6  16 60 o 9.786000       1.575000      ?             ?      
1 1 1 6  16 61 o 4.332000       1.358000      ?             ?      
1 1 1 6  16 62 o 0.8709000      1.358000      ?             ?      
1 1 1 6  16 63 o 11.44000       1.431000      ?             ?      
1 1 1 6  16 64 o 17.31000       1.491000      ?             ?      
1 1 1 6  16 65 o 18.66000       1.496000      ?             ?      
1 1 1 6  16 66 o -0.7724000     1.328000      ?             ?      
1 1 1 6  16 67 o 0.5920000      1.344000      ?             ?      
1 1 1 6  16 68 o 1.433000       1.348000      ?             ?      
1 1 1 6  16 69 o -0.1141000     1.359000      ?             ?      
1 1 1 6  16 70 o 4.556000       1.387000      ?             ?      
1 1 1 6  16 71 o 3.848000       1.513000      ?             ?      
1 1 1 6  16 72 o 3.265000       2.226000      ?             ?      
1 1 1 6  16 73 o 7.204000       2.462000      ?             ?      
1 1 1 6  16 74 o 0.3805000      1.576000      ?             ?      
1 1 1 6  17 0  o -0.1476000     0.5671000     94.90888      -180.0 
1 1 1 6  17 1  o 8.486000       0.4433000     364.5762      88.3   
1 1 1 6  17 2  o 54.84000       1.276000      897.1149      138.4  
1 1 1 6  17 3  o 35.13000       1.022000      742.9533      -66.3  
1 1 1 6  17 4  o 181.0000       3.906000      1694.522      -119.5 
1 1 1 6  17 5  o 1.725000       0.3518000     83.73376      148.2  
1 1 1 6  17 6  o 0.3802000      0.4236000     222.5089      -60.3  
1 1 1 6  17 7  o 129.8000       3.688000      1813.016      -148.4 
1 1 1 6  17 8  o 145.9000       3.145000      1700.630      -122.0 
1 1 1 6  17 9  o 68.57000       2.054000      995.0232      -81.2  
1 1 1 6  17 10 o 145.6000       2.981000      1684.178      100.6  
1 1 1 6  17 11 o 47.27000       1.413000      734.4547      -84.7  
1 1 1 6  17 12 o 20.03000       0.6184000     546.3910      131.7  
1 1 1 6  17 13 o 98.23000       2.053000      1127.936      -73.3  
1 1 1 6  17 14 o 83.29000       1.779000      994.2796      91.9   
1 1 1 6  17 15 o 315.5000       6.271000      2086.945      -66.6  
1 1 1 6  17 16 o 22.28000       0.7277000     500.3795      109.6  
1 1 1 6  17 17 o 331.8000       6.602000      2653.301      177.2  
1 1 1 6  17 18 o 288.0000       5.760000      2399.653      175.8  
1 1 1 6  17 19 o 137.3000       3.114000      1437.444      -162.1 
1 1 1 6  17 20 f 74.77000       1.738000      981.7598      -20.4  
1 1 1 6  17 21 o 13.63000       0.7962000     634.2287      27.6   
1 1 1 6  17 22 o 227.0000       5.019000      1929.601      -172.9 
1 1 1 6  17 23 o 108.6000       3.155000      1643.704      21.0   
1 1 1 6  17 24 o 52.47000       1.935000      1168.992      138.2  
1 1 1 6  17 25 o 16.14000       1.371000      668.4217      -123.7 
1 1 1 6  17 26 o 29.27000       3.095000      739.7957      5.8    
1 1 1 6  17 27 o 61.97000       1.949000      1202.992      175.8  
1 1 1 6  17 28 o 282.7000       5.787000      2457.702      -173.7 
1 1 1 6  17 29 o 61.59000       1.744000      1166.520      -124.3 
1 1 1 6  17 30 o 137.3000       3.056000      1635.819      101.2  
1 1 1 6  17 31 o 62.20000       1.715000      798.7210      -32.0  
1 1 1 6  17 32 o 18.70000       1.126000      292.0536      -45.5  
1 1 1 6  17 33 o 67.02000       1.793000      1079.930      -0.8   
1 1 1 6  17 34 o 10.73000       1.032000      390.8530      -92.9  
1 1 1 6  17 35 o 29.29000       1.219000      826.6180      -23.3  
1 1 1 6  17 36 o 10.55000       1.018000      285.1495      -96.3  
1 1 1 6  17 37 o 8.711000       0.9968000     354.2237      125.8  
1 1 1 6  17 38 o 22.79000       1.135000      738.5685      148.7  
1 1 1 6  17 39 o 10.88000       1.033000      227.2650      78.4   
1 1 1 6  17 40 o 11.24000       1.048000      473.0331      -165.3 
1 1 1 6  17 41 o 1.337000       1.120000      203.6616      -51.1  
1 1 1 6  17 42 o 35.32000       2.527000      905.2816      47.1   
1 1 1 6  17 43 f 12.68000       2.951000      330.2009      76.4   
1 1 1 6  17 44 o 22.02000       1.575000      607.7172      -25.8  
1 1 1 6  17 45 o 47.54000       1.581000      966.8118      146.5  
1 1 1 6  17 46 o 3.532000       1.071000      98.18256      103.0  
1 1 1 6  17 47 o 21.63000       1.248000      751.6405      -117.8 
1 1 1 6  17 48 o 13.89000       1.203000      520.3964      -57.0  
1 1 1 6  17 49 o 46.08000       1.648000      982.7041      -113.7 
1 1 1 6  17 50 o 55.35000       1.812000      1067.164      123.4  
1 1 1 6  17 51 o 18.19000       1.331000      522.9201      131.6  
1 1 1 6  17 52 o 62.22000       1.955000      1188.402      -50.8  
1 1 1 6  17 53 o 6.714000       1.290000      449.3098      119.7  
1 1 1 6  17 54 o 9.253000       1.355000      481.5692      143.6  
1 1 1 6  17 55 o 12.35000       1.408000      496.5489      13.1   
1 1 1 6  17 56 o 8.805000       1.398000      441.6748      -46.0  
1 1 1 6  17 57 o 45.86000       1.985000      ?             ?      
1 1 1 6  17 58 o 12.29000       2.317000      355.4846      -116.2 
1 1 1 6  17 59 o 5.197000       2.416000      ?             ?      
1 1 1 6  17 60 o 3.322000       1.482000      ?             ?      
1 1 1 6  17 61 o 7.185000       1.375000      ?             ?      
1 1 1 6  17 62 o 1.222000       1.346000      ?             ?      
1 1 1 6  17 63 o 3.635000       1.362000      ?             ?      
1 1 1 6  17 64 o 3.492000       1.363000      ?             ?      
1 1 1 6  17 65 o 13.34000       1.441000      ?             ?      
1 1 1 6  17 66 o 0.6683000      1.326000      ?             ?      
1 1 1 6  17 67 o 5.834000       1.367000      ?             ?      
1 1 1 6  17 68 o 3.938000       1.361000      ?             ?      
1 1 1 6  17 69 o 2.199000       1.353000      ?             ?      
1 1 1 6  17 70 o 7.196000       1.415000      ?             ?      
1 1 1 6  17 71 o 2.461000       1.585000      ?             ?      
1 1 1 6  17 72 o 1.378000       1.846000      ?             ?      
1 1 1 6  17 73 o -0.4241000     1.936000      ?             ?      
1 1 1 6  17 74 o 1.269000       1.958000      ?             ?      
1 1 1 6  18 0  o 84.92000       3.559000      1195.014      0.0    
1 1 1 6  18 1  o 27.76000       0.9141000     753.0911      -103.2 
1 1 1 6  18 2  o 54.95000       1.474000      818.5884      -86.9  
1 1 1 6  18 3  o 3.730000       0.4505000     338.3894      -70.8  
1 1 1 6  18 4  o 17.37000       0.5904000     579.5906      3.4    
1 1 1 6  18 5  o 10.13000       0.5341000     289.6766      -178.3 
1 1 1 6  18 6  o 13.54000       0.5302000     210.1181      -172.5 
1 1 1 6  18 7  o 114.5000       4.609000      1019.608      144.3  
1 1 1 6  18 8  o 70.83000       1.507000      1301.516      -19.0  
1 1 1 6  18 9  o 44.33000       1.228000      976.7433      -134.3 
1 1 1 6  18 10 o 17.67000       0.7956000     560.7586      38.4   
1 1 1 6  18 11 o 388.4000       7.608000      2716.508      -174.0 
1 1 1 6  18 12 o 457.5000       8.552000      2671.159      -9.2   
1 1 1 6  18 13 o 439.8000       8.228000      2769.790      -125.5 
1 1 1 6  18 14 o 10.25000       0.6440000     665.8860      -138.7 
1 1 1 6  18 15 o 67.84000       1.639000      1016.251      -64.1  
1 1 1 6  18 16 o 59.54000       1.657000      1129.368      -25.0  
1 1 1 6  18 17 o 399.3000       8.530000      2834.845      -102.9 
1 1 1 6  18 18 o 70.58000       1.607000      1168.965      35.9   
1 1 1 6  18 19 o 101.6000       2.207000      1898.761      -152.8 
1 1 1 6  18 20 o 612.1000       12.10000      2879.798      -59.7  
1 1 1 6  18 21 o 26.77000       0.9707000     585.5801      140.7  
1 1 1 6  18 22 o 127.0000       2.981000      1452.073      -177.7 
1 1 1 6  18 23 o 137.0000       3.827000      1679.894      -40.3  
1 1 1 6  18 24 o 524.0000       13.37000      2797.204      131.7  
1 1 1 6  18 25 o 9.067000       1.876000      151.8295      14.9   
1 1 1 6  18 26 o 277.5000       9.713000      2194.271      -81.8  
1 1 1 6  18 27 o 17.42000       1.223000      269.9248      -116.6 
1 1 1 6  18 28 o 69.60000       1.857000      1362.940      159.3  
1 1 1 6  18 29 o 337.6000       6.840000      2260.298      -122.9 
1 1 1 6  18 30 o 19.16000       1.139000      382.5111      17.3   
1 1 1 6  18 31 o 55.89000       1.616000      1375.472      125.8  
1 1 1 6  18 32 o 31.81000       1.265000      937.7529      -32.9  
1 1 1 6  18 33 o 55.40000       1.599000      1292.985      -69.2  
1 1 1 6  18 34 o 88.84000       2.152000      1249.626      80.1   
1 1 1 6  18 35 o 5.861000       0.9708000     288.7239      -86.0  
1 1 1 6  18 36 o 62.72000       1.705000      1031.789      176.6  
1 1 1 6  18 37 o 0.6431000      0.9542000     250.1221      -126.4 
1 1 1 6  18 38 o 18.52000       1.087000      810.8013      -131.5 
1 1 1 6  18 39 o 33.58000       1.284000      844.2285      -29.4  
1 1 1 6  18 40 o 115.3000       2.667000      1654.074      -167.4 
1 1 1 6  18 41 o 57.63000       1.687000      1075.673      -172.2 
1 1 1 6  18 42 o 36.17000       1.757000      868.0303      43.5   
1 1 1 6  18 43 o 77.00000       3.524000      1122.932      178.0  
1 1 1 6  18 44 o 29.75000       1.596000      821.4887      -86.6  
1 1 1 6  18 45 o 0.6920000      1.078000      85.73485      70.5   
1 1 1 6  18 46 o 5.428000       1.099000      212.5892      -176.2 
1 1 1 6  18 47 o 24.99000       1.303000      700.4698      50.3   
1 1 1 6  18 48 o 7.775000       1.180000      364.4338      3.5    
1 1 1 6  18 49 o 35.39000       1.499000      709.8879      115.6  
1 1 1 6  18 50 o 36.17000       1.535000      948.2401      35.9   
1 1 1 6  18 51 o 31.14000       1.491000      756.9053      174.2  
1 1 1 6  18 52 o 5.623000       1.264000      400.7351      -162.8 
1 1 1 6  18 53 o 14.34000       1.378000      457.5460      -156.8 
1 1 1 6  18 54 o 15.52000       1.419000      480.9463      41.3   
1 1 1 6  18 55 o 19.64000       1.474000      684.8383      169.8  
1 1 1 6  18 56 o 45.19000       1.817000      1013.688      -173.0 
1 1 1 6  18 57 o 7.824000       1.552000      437.0959      -24.1  
1 1 1 6  18 58 o 3.963000       1.790000      342.2235      178.3  
1 1 1 6  18 59 o 12.06000       2.027000      ?             ?      
1 1 1 6  18 60 o 4.111000       1.853000      ?             ?      
1 1 1 6  18 61 o 2.237000       1.436000      ?             ?      
1 1 1 6  18 62 o 4.586000       1.358000      ?             ?      
1 1 1 6  18 63 o 4.976000       1.339000      ?             ?      
1 1 1 6  18 64 o 1.185000       1.425000      ?             ?      
1 1 1 6  18 65 o 1.752000       1.338000      ?             ?      
1 1 1 6  18 66 o 11.44000       1.423000      ?             ?      
1 1 1 6  18 67 f 0.3604000E-01  1.340000      ?             ?      
1 1 1 6  18 68 o -1.693000      1.325000      ?             ?      
1 1 1 6  18 69 o -0.4911000     1.351000      ?             ?      
1 1 1 6  18 71 o 4.590000       1.600000      ?             ?      
1 1 1 6  18 72 o 1.014000       1.583000      ?             ?      
1 1 1 6  18 73 o -2.259000      1.551000      ?             ?      
1 1 1 6  18 74 o 4.530000       1.986000      ?             ?      
1 1 1 6  19 0  o 22.52000       1.120000      308.4748      180.0  
1 1 1 6  19 1  o 94.09000       2.759000      1083.939      62.0   
1 1 1 6  19 2  o 444.8000       10.63000      2417.458      -151.7 
1 1 1 6  19 3  o 65.94000       1.510000      1060.815      102.6  
1 1 1 6  19 4  o 22.73000       0.7052000     958.6948      -27.7  
1 1 1 6  19 5  o 156.3000       3.385000      1789.924      109.4  
1 1 1 6  19 6  o 308.6000       7.033000      2333.439      -128.0 
1 1 1 6  19 7  o 44.26000       1.162000      872.7344      -17.2  
1 1 1 6  19 8  o 54.38000       1.404000      1101.588      -116.9 
1 1 1 6  19 9  o 261.2000       5.237000      2525.512      -29.4  
1 1 1 6  19 10 o 233.9000       5.511000      1813.923      162.2  
1 1 1 6  19 11 o 71.74000       1.634000      1111.152      -92.9  
1 1 1 6  19 12 o 13.86000       0.7933000     241.8852      -173.8 
1 1 1 6  19 13 o 14.42000       0.6923000     614.1238      116.8  
1 1 1 6  19 14 o 33.52000       0.8541000     1143.640      45.1   
1 1 1 6  19 15 o 165.3000       3.462000      1800.009      -93.4  
1 1 1 6  19 16 o 25.47000       0.9993000     478.7382      86.3   
1 1 1 6  19 17 o 142.9000       2.961000      1688.373      -131.1 
1 1 1 6  19 18 o 10.54000       0.6490000     67.75369      -17.1  
1 1 1 6  19 19 o 115.0000       2.674000      1487.473      26.0   
1 1 1 6  19 20 o 42.34000       1.180000      700.1688      -141.2 
1 1 1 6  19 21 o 284.0000       6.179000      2561.269      -151.4 
1 1 1 6  19 22 o 243.1000       4.953000      2205.427      -135.5 
1 1 1 6  19 23 o 20.45000       1.107000      473.3195      -133.6 
1 1 1 6  19 24 o 52.86000       2.093000      832.9943      -73.4  
1 1 1 6  19 25 o 242.9000       9.806000      1962.296      -46.0  
1 1 1 6  19 26 o 131.6000       4.171000      1570.411      104.4  
1 1 1 6  19 27 o 38.84000       1.517000      910.9186      -159.2 
1 1 1 6  19 28 o 104.9000       2.446000      1494.777      -94.3  
1 1 1 6  19 29 o 7.219000       1.004000      417.2011      -159.2 
1 1 1 6  19 30 o 15.31000       1.062000      295.2581      129.5  
1 1 1 6  19 31 o 8.836000       1.018000      757.7804      89.7   
1 1 1 6  19 32 o 113.2000       2.596000      1529.638      55.7   
1 1 1 6  19 33 o 174.0000       3.716000      1679.935      78.9   
1 1 1 6  19 34 o 55.56000       1.602000      1255.643      34.1   
1 1 1 6  19 35 o 50.02000       1.509000      858.8236      36.5   
1 1 1 6  19 36 o 18.89000       1.075000      762.4536      -34.1  
1 1 1 6  19 37 o 29.31000       1.208000      766.4426      -177.5 
1 1 1 6  19 38 o 5.213000       0.9693000     345.7407      -80.5  
1 1 1 6  19 39 o 17.41000       1.080000      813.4187      -35.8  
1 1 1 6  19 40 o 13.09000       1.195000      427.8733      -47.6  
1 1 1 6  19 41 o 53.59000       1.801000      1134.125      -30.9  
1 1 1 6  19 42 o 61.56000       2.890000      1197.893      -46.4  
1 1 1 6  19 43 o 24.36000       2.421000      739.5961      -28.0  
1 1 1 6  19 44 o 31.75000       1.917000      831.6183      27.0   
1 1 1 6  19 45 o 50.62000       1.792000      985.4070      124.7  
1 1 1 6  19 46 o 33.08000       1.416000      950.7842      48.0   
1 1 1 6  19 47 o 23.57000       1.306000      866.2942      -145.7 
1 1 1 6  19 48 o 55.17000       1.771000      1131.713      -177.6 
1 1 1 6  19 49 o 15.92000       1.294000      658.8219      -140.4 
1 1 1 6  19 50 o 23.80000       1.386000      746.4556      87.2   
1 1 1 6  19 51 o 25.26000       1.432000      672.9991      -36.9  
1 1 1 6  19 52 o 29.56000       1.509000      675.0687      -21.9  
1 1 1 6  19 53 o 44.58000       1.754000      898.9340      120.1  
1 1 1 6  19 54 o 22.61000       1.505000      677.8098      -43.5  
1 1 1 6  19 55 o 4.498000       1.381000      269.8103      15.5   
1 1 1 6  19 56 o 34.21000       1.703000      896.8012      -71.1  
1 1 1 6  19 57 o 11.81000       1.593000      484.6323      -35.4  
1 1 1 6  19 58 o 2.619000       1.492000      ?             ?      
1 1 1 6  19 59 o 7.614000       1.507000      ?             ?      
1 1 1 6  19 60 o 13.03000       1.837000      ?             ?      
1 1 1 6  19 61 o 1.030000       1.442000      ?             ?      
1 1 1 6  19 63 o 4.781000       1.344000      ?             ?      
1 1 1 6  19 64 o 3.588000       1.342000      ?             ?      
1 1 1 6  19 65 o 12.67000       1.438000      ?             ?      
1 1 1 6  19 66 o 9.529000       1.415000      ?             ?      
1 1 1 6  19 67 o 2.148000       1.355000      ?             ?      
1 1 1 6  19 68 o 0.6984000      1.329000      ?             ?      
1 1 1 6  19 69 o 2.060000       1.369000      ?             ?      
1 1 1 6  19 70 o 3.760000       1.596000      ?             ?      
1 1 1 6  19 71 o 1.997000       1.776000      ?             ?      
1 1 1 6  19 72 o 2.121000       2.880000      ?             ?      
1 1 1 6  19 73 o 2.230000       1.929000      ?             ?      
1 1 1 6  20 0  o 44.37000       1.468000      773.5395      -180.0 
1 1 1 6  20 1  o 172.3000       3.742000      1631.416      -78.3  
1 1 1 6  20 2  o 9.904000       0.5657000     673.6529      102.6  
1 1 1 6  20 3  o 137.4000       3.013000      1399.997      -65.2  
1 1 1 6  20 4  o 59.16000       1.532000      1107.441      155.8  
1 1 1 6  20 5  o 226.1000       5.724000      1720.260      -121.7 
1 1 1 6  20 6  o 254.4000       6.482000      2212.387      137.0  
1 1 1 6  20 7  o 163.3000       4.245000      2319.898      -7.5   
1 1 1 6  20 8  o 82.74000       2.074000      1378.012      38.2   
1 1 1 6  20 9  o 318.8000       6.314000      2018.210      -109.0 
1 1 1 6  20 10 o 148.7000       3.590000      1802.257      145.4  
1 1 1 6  20 11 o 6.110000       0.5618000     325.3263      154.9  
1 1 1 6  20 12 o 8.368000       0.5906000     678.3348      109.4  
1 1 1 6  20 13 o 765.4000       15.42000      3357.382      -120.1 
1 1 1 6  20 14 o 33.78000       1.035000      1075.028      133.4  
1 1 1 6  20 15 o 35.10000       0.9534000     719.1787      -125.4 
1 1 1 6  20 16 o 191.6000       3.998000      2440.343      29.2   
1 1 1 6  20 17 o 52.17000       1.276000      910.6584      -51.3  
1 1 1 6  20 18 o 296.2000       6.380000      2097.627      -80.3  
1 1 1 6  20 19 o 50.70000       1.294000      972.7577      -81.1  
1 1 1 6  20 20 o 195.3000       4.006000      2109.987      -51.7  
1 1 1 6  20 21 o 106.5000       2.564000      1778.635      -109.8 
1 1 1 6  20 22 o 600.4000       11.89000      3637.878      -53.3  
1 1 1 6  20 23 o 246.8000       6.191000      2500.704      22.9   
1 1 1 6  20 24 o 29.45000       1.706000      1249.693      59.4   
1 1 1 6  20 25 o 73.32000       2.827000      1293.294      -88.8  
1 1 1 6  20 26 o 40.43000       1.959000      797.6179      82.8   
1 1 1 6  20 27 f 22.41000       1.462000      369.9694      -71.8  
1 1 1 6  20 28 o 58.05000       1.774000      928.1753      -50.2  
1 1 1 6  20 29 o 62.89000       1.815000      801.1571      9.4    
1 1 1 6  20 30 o 179.3000       3.806000      1870.821      -155.3 
1 1 1 6  20 31 o 230.7000       4.776000      2172.848      -159.3 
1 1 1 6  20 32 o 24.87000       1.167000      667.1279      -18.6  
1 1 1 6  20 33 o 71.46000       1.862000      1139.779      164.1  
1 1 1 6  20 34 o 24.02000       1.137000      662.9984      131.1  
1 1 1 6  20 35 o 40.52000       1.357000      883.0255      -18.1  
1 1 1 6  20 36 o 20.10000       1.166000      584.9127      148.6  
1 1 1 6  20 37 o 42.44000       1.390000      1219.826      4.8    
1 1 1 6  20 38 o 6.985000       0.9802000     227.7797      34.6   
1 1 1 6  20 39 o 29.80000       1.234000      666.6016      83.9   
1 1 1 6  20 40 o 47.68000       1.520000      1067.960      176.6  
1 1 1 6  20 41 o 86.40000       2.465000      1442.647      51.8   
1 1 1 6  20 42 o 27.29000       1.439000      663.8750      117.4  
1 1 1 6  20 43 o 27.54000       1.435000      855.7649      -178.5 
1 1 1 6  20 44 o 15.42000       1.600000      445.9267      58.5   
1 1 1 6  20 45 o 102.7000       2.970000      ?             ?      
1 1 1 6  20 46 o 63.18000       1.876000      1176.337      -75.2  
1 1 1 6  20 47 o 35.00000       1.460000      809.8000      -46.5  
1 1 1 6  20 48 o 26.30000       1.373000      747.8547      130.8  
1 1 1 6  20 49 o 64.72000       1.948000      1084.945      108.5  
1 1 1 6  20 50 o 3.662000       1.222000      119.6824      -172.9 
1 1 1 6  20 51 o 43.37000       1.680000      1127.511      177.8  
1 1 1 6  20 52 o 14.42000       1.365000      577.9825      -162.9 
1 1 1 6  20 53 o 18.15000       1.440000      643.8195      87.1   
1 1 1 6  20 54 o 16.68000       1.452000      540.4902      120.8  
1 1 1 6  20 55 o 6.614000       1.385000      427.2820      -46.3  
1 1 1 6  20 56 o 2.349000       1.528000      179.1408      127.9  
1 1 1 6  20 57 o 0.9659000      1.506000      263.2596      116.5  
1 1 1 6  20 58 o 1.887000       1.410000      ?             ?      
1 1 1 6  20 59 o 2.380000       1.471000      ?             ?      
1 1 1 6  20 60 o 8.044000       1.896000      ?             ?      
1 1 1 6  20 61 o 13.51000       1.933000      ?             ?      
1 1 1 6  20 62 o 2.941000       1.346000      ?             ?      
1 1 1 6  20 63 o 1.114000       1.326000      ?             ?      
1 1 1 6  20 64 o 2.224000       1.334000      ?             ?      
1 1 1 6  20 65 o 1.508000       1.335000      ?             ?      
1 1 1 6  20 67 o -0.9084000     1.341000      ?             ?      
1 1 1 6  20 68 o 10.48000       1.423000      ?             ?      
1 1 1 6  20 69 o 2.377000       1.394000      ?             ?      
1 1 1 6  20 71 o -1.770000      1.798000      ?             ?      
1 1 1 6  20 72 o -2.454000      1.790000      ?             ?      
1 1 1 6  20 73 o -1.058000      1.575000      ?             ?      
1 1 1 6  21 0  o 182.9000       5.190000      1873.362      -0.0   
1 1 1 6  21 1  o 16.67000       0.6100000     954.9441      -157.3 
1 1 1 6  21 2  o 208.9000       4.178000      1471.721      175.8  
1 1 1 6  21 3  o 46.48000       1.162000      1175.948      54.2   
1 1 1 6  21 4  o 224.6000       5.164000      1987.489      -42.2  
1 1 1 6  21 5  o 129.5000       3.390000      1679.439      162.7  
1 1 1 6  21 6  o 84.91000       2.551000      1501.523      140.9  
1 1 1 6  21 7  o 62.61000       1.621000      974.0637      121.9  
1 1 1 6  21 8  o 127.6000       3.742000      1886.706      23.2   
1 1 1 6  21 9  o 69.67000       1.902000      1184.651      109.7  
1 1 1 6  21 10 o 173.0000       4.276000      1936.549      82.3   
1 1 1 6  21 11 o 75.68000       2.091000      1256.666      161.3  
1 1 1 6  21 12 o 182.6000       3.686000      2011.462      27.8   
1 1 1 6  21 13 o 59.75000       1.727000      742.7042      -76.9  
1 1 1 6  21 14 o 140.3000       3.012000      1755.995      58.5   
1 1 1 6  21 15 o 77.36000       1.863000      1443.712      -133.5 
1 1 1 6  21 16 o 186.3000       3.934000      1958.621      -24.0  
1 1 1 6  21 17 o 172.4000       3.645000      2293.630      112.0  
1 1 1 6  21 18 o 46.57000       1.335000      1397.338      81.1   
1 1 1 6  21 19 o 10.00000       0.7224000     549.7649      -53.9  
1 1 1 6  21 20 o 694.9000       13.73000      3429.793      174.2  
1 1 1 6  21 21 o 73.29000       1.769000      1263.550      56.0   
1 1 1 6  21 22 o 126.5000       2.764000      1379.845      69.9   
1 1 1 6  21 23 o 4.492000       0.9246000     336.2686      -81.6  
1 1 1 6  21 24 o 50.43000       1.982000      1087.014      -9.2   
1 1 1 6  21 25 o 37.53000       1.849000      1013.872      21.8   
1 1 1 6  21 26 o 18.27000       1.613000      875.8336      165.6  
1 1 1 6  21 27 o 95.00000       2.679000      1239.941      135.5  
1 1 1 6  21 28 o 25.55000       1.247000      531.7708      103.2  
1 1 1 6  21 29 o 178.2000       3.769000      1801.985      -82.1  
1 1 1 6  21 30 o 41.82000       1.344000      1103.071      74.4   
1 1 1 6  21 31 o 111.0000       2.520000      1244.469      24.4   
1 1 1 6  21 32 o 115.0000       2.609000      1743.952      -11.9  
1 1 1 6  21 33 o 183.2000       3.879000      1902.524      73.6   
1 1 1 6  21 34 o 37.38000       1.295000      864.0574      105.4  
1 1 1 6  21 35 o 15.28000       1.028000      399.8330      -48.8  
1 1 1 6  21 36 o 58.05000       1.623000      1321.080      60.2   
1 1 1 6  21 37 o 41.74000       1.379000      842.6722      167.3  
1 1 1 6  21 38 o 26.82000       1.178000      777.0909      -152.2 
1 1 1 6  21 39 o 16.52000       1.077000      476.5198      -100.2 
1 1 1 6  21 40 o 16.41000       1.201000      480.1160      86.1   
1 1 1 6  21 41 o 99.71000       3.250000      1408.293      -92.7  
1 1 1 6  21 42 o 16.27000       1.262000      713.3394      43.6   
1 1 1 6  21 43 o 32.35000       1.463000      904.8395      -18.9  
1 1 1 6  21 44 o 89.88000       3.110000      1381.478      123.9  
1 1 1 6  21 45 o 9.114000       1.648000      526.0001      -87.6  
1 1 1 6  21 46 o 5.878000       1.274000      180.2242      26.9   
1 1 1 6  21 47 o 20.35000       1.286000      672.5009      -83.5  
1 1 1 6  21 48 o 8.075000       1.191000      479.0055      134.9  
1 1 1 6  21 49 o 53.69000       1.783000      1097.341      -127.7 
1 1 1 6  21 50 o 12.81000       1.291000      432.7985      125.0  
1 1 1 6  21 51 o 3.900000       1.274000      272.0897      -86.4  
1 1 1 6  21 52 o 20.63000       1.454000      587.6208      -83.9  
1 1 1 6  21 53 o 36.69000       1.677000      1024.465      -86.8  
1 1 1 6  21 54 o 6.808000       1.380000      378.6085      47.5   
1 1 1 6  21 55 o 3.444000       1.383000      312.9513      -123.0 
1 1 1 6  21 56 o 40.70000       1.999000      ?             ?      
1 1 1 6  21 57 o 9.097000       1.560000      ?             ?      
1 1 1 6  21 58 o 29.24000       1.598000      ?             ?      
1 1 1 6  21 59 o 29.04000       1.602000      ?             ?      
1 1 1 6  21 60 o 3.786000       1.483000      ?             ?      
1 1 1 6  21 61 o 3.061000       1.741000      ?             ?      
1 1 1 6  21 62 o 8.428000       1.489000      ?             ?      
1 1 1 6  21 63 o 4.588000       1.344000      ?             ?      
1 1 1 6  21 64 o 8.856000       1.373000      ?             ?      
1 1 1 6  21 65 o 4.906000       1.346000      ?             ?      
1 1 1 6  21 66 o 3.506000       1.353000      ?             ?      
1 1 1 6  21 67 o 4.150000       1.349000      ?             ?      
1 1 1 6  21 68 o 6.224000       1.402000      ?             ?      
1 1 1 6  21 69 o 2.664000       1.770000      ?             ?      
1 1 1 6  21 70 o 7.632000       2.657000      ?             ?      
1 1 1 6  21 71 o -3.473000      1.958000      ?             ?      
1 1 1 6  21 73 o 3.277000       1.699000      ?             ?      
1 1 1 6  22 0  o 1.087000       0.6990000     400.1547      -0.0   
1 1 1 6  22 1  o 220.5000       4.407000      1803.139      -19.3  
1 1 1 6  22 2  o 62.36000       1.396000      1299.590      166.6  
1 1 1 6  22 3  o 9.161000       0.5483000     150.2396      -161.1 
1 1 1 6  22 4  o 373.0000       8.504000      2568.628      -136.6 
1 1 1 6  22 5  o 152.2000       3.791000      1599.944      -125.8 
1 1 1 6  22 6  o 360.0000       7.340000      2355.313      144.6  
1 1 1 6  22 7  o 46.66000       1.237000      1018.580      -123.1 
1 1 1 6  22 8  o 564.4000       12.89000      3506.804      -164.7 
1 1 1 6  22 9  o 223.6000       5.284000      2404.213      136.4  
1 1 1 6  22 10 o 191.6000       5.447000      2298.898      -152.8 
1 1 1 6  22 11 o 226.1000       5.212000      2392.335      107.9  
1 1 1 6  22 12 o 267.6000       5.559000      2273.456      169.9  
1 1 1 6  22 13 o 231.3000       5.480000      2170.286      159.6  
1 1 1 6  22 14 o 387.9000       7.979000      2726.926      -173.5 
1 1 1 6  22 15 o 134.5000       3.029000      2031.178      45.3   
1 1 1 6  22 16 o 1.608000       0.5571000     529.6137      -52.0  
1 1 1 6  22 17 o 44.97000       1.218000      1242.500      -63.5  
1 1 1 6  22 18 o 47.70000       1.380000      1268.705      -91.5  
1 1 1 6  22 19 o 46.40000       1.462000      712.1168      77.2   
1 1 1 6  22 20 o 20.64000       1.006000      906.7787      -26.5  
1 1 1 6  22 21 o 125.0000       2.936000      1322.473      -89.9  
1 1 1 6  22 22 o 40.48000       1.285000      1062.052      73.3   
1 1 1 6  22 23 o 15.55000       1.331000      704.6371      -160.3 
1 1 1 6  22 25 o 124.2000       4.625000      1638.516      -88.9  
1 1 1 6  22 26 o 37.78000       1.479000      789.9246      -109.3 
1 1 1 6  22 27 o 48.14000       2.111000      959.6674      160.7  
1 1 1 6  22 28 o 112.3000       2.997000      1382.173      40.7   
1 1 1 6  22 29 o 25.96000       1.246000      578.7403      33.9   
1 1 1 6  22 30 o 57.15000       1.564000      1154.144      131.9  
1 1 1 6  22 31 o 22.45000       1.058000      576.7303      74.5   
1 1 1 6  22 32 o 111.8000       2.533000      1989.971      74.6   
1 1 1 6  22 33 o 37.10000       1.277000      663.0430      -112.5 
1 1 1 6  22 34 o 40.84000       1.332000      594.7345      -15.3  
1 1 1 6  22 35 o 33.71000       1.238000      813.1367      5.4    
1 1 1 6  22 36 o 0.3579000      0.9277000     156.2648      -175.1 
1 1 1 6  22 37 o 5.437000       0.9543000     177.3239      -140.8 
1 1 1 6  22 38 o 30.46000       1.237000      746.9686      -58.5  
1 1 1 6  22 39 o 12.71000       1.055000      545.4393      19.5   
1 1 1 6  22 40 o 20.04000       1.262000      730.1279      -114.9 
1 1 1 6  22 41 o 28.10000       1.419000      783.9650      124.5  
1 1 1 6  22 42 o 0.8414000      1.023000      68.37164      -101.7 
1 1 1 6  22 43 o 72.92000       1.986000      1211.912      118.0  
1 1 1 6  22 44 o 48.97000       1.900000      1228.570      44.3   
1 1 1 6  22 45 o 25.10000       1.778000      670.0136      -153.9 
1 1 1 6  22 46 o 34.54000       1.757000      952.2558      -28.1  
1 1 1 6  22 47 o 12.62000       1.351000      379.1151      -9.7   
1 1 1 6  22 48 o 26.81000       1.393000      813.4158      73.6   
1 1 1 6  22 49 o 8.970000       1.257000      371.7429      -67.3  
1 1 1 6  22 50 o 25.61000       1.440000      720.0803      -54.9  
1 1 1 6  22 51 o 31.30000       1.556000      852.6238      -3.6   
1 1 1 6  22 52 o 6.350000       1.340000      362.5637      58.3   
1 1 1 6  22 53 o 45.68000       1.807000      1089.868      102.1  
1 1 1 6  22 54 o 0.9229000      1.362000      110.5057      -58.8  
1 1 1 6  22 55 o -0.1865000     1.518000      101.4221      128.3  
1 1 1 6  22 56 o 1.336000       1.560000      268.7772      85.1   
1 1 1 6  22 57 o 15.61000       1.576000      ?             ?      
1 1 1 6  22 58 o 10.15000       1.410000      ?             ?      
1 1 1 6  22 59 o 20.25000       1.479000      ?             ?      
1 1 1 6  22 60 o -0.3516000     1.435000      ?             ?      
1 1 1 6  22 61 o 6.478000       1.812000      ?             ?      
1 1 1 6  22 62 o 3.207000       1.812000      ?             ?      
1 1 1 6  22 63 o 11.46000       1.520000      ?             ?      
1 1 1 6  22 64 o 4.331000       1.330000      ?             ?      
1 1 1 6  22 65 o 6.387000       1.368000      ?             ?      
1 1 1 6  22 66 o 12.73000       1.433000      ?             ?      
1 1 1 6  22 67 o 0.1024000E-01  1.464000      ?             ?      
1 1 1 6  22 68 o 7.378000       1.819000      ?             ?      
1 1 1 6  22 69 o -1.219000      2.371000      ?             ?      
1 1 1 6  22 70 o 7.380000       1.813000      ?             ?      
1 1 1 6  22 71 o 3.265000       1.415000      ?             ?      
1 1 1 6  22 72 o -0.7682000     1.435000      ?             ?      
1 1 1 6  23 0  o 13.52000       0.8958000     815.0428      180.0  
1 1 1 6  23 1  o 216.6000       4.341000      1706.372      -154.3 
1 1 1 6  23 2  o 87.36000       2.154000      1284.597      -156.2 
1 1 1 6  23 3  o 297.6000       6.365000      2615.274      -56.9  
1 1 1 6  23 4  o 56.01000       1.609000      811.8668      9.0    
1 1 1 6  23 5  o 342.6000       8.817000      2328.474      -157.2 
1 1 1 6  23 6  o 13.72000       0.6313000     257.7452      107.2  
1 1 1 6  23 7  o 72.40000       1.653000      1256.685      28.8   
1 1 1 6  23 8  o 33.51000       1.035000      961.9222      37.9   
1 1 1 6  23 9  o 45.65000       1.594000      698.3908      105.7  
1 1 1 6  23 10 o 72.16000       1.994000      949.5497      177.5  
1 1 1 6  23 11 o 49.25000       1.607000      829.5336      -49.2  
1 1 1 6  23 12 o 76.69000       2.378000      1215.827      -132.4 
1 1 1 6  23 13 o 43.80000       1.797000      1136.433      -89.4  
1 1 1 6  23 14 o 58.31000       1.570000      1247.544      23.7   
1 1 1 6  23 15 o 32.02000       1.338000      1126.547      -137.6 
1 1 1 6  23 16 o 67.05000       1.801000      1480.575      101.4  
1 1 1 6  23 17 o 24.66000       0.9591000     1051.618      -86.2  
1 1 1 6  23 18 o 188.8000       3.998000      1590.470      96.5   
1 1 1 6  23 19 o 52.67000       1.501000      1002.307      -142.7 
1 1 1 6  23 20 o 617.3000       13.21000      3092.113      129.4  
1 1 1 6  23 21 o 81.80000       1.935000      1276.949      72.7   
1 1 1 6  23 22 o 44.07000       1.404000      1012.619      177.9  
1 1 1 6  23 23 o 40.47000       1.533000      913.3976      -152.9 
1 1 1 6  23 24 o 637.3000       14.56000      ?             ?      
1 1 1 6  23 25 o 6.769000       1.044000      218.0336      -134.0 
1 1 1 6  23 26 o 35.51000       1.509000      1054.816      178.7  
1 1 1 6  23 27 o 113.1000       2.772000      1541.090      123.2  
1 1 1 6  23 28 o 24.31000       1.242000      757.0623      -86.4  
1 1 1 6  23 29 o 3.203000       1.110000      265.6498      -156.5 
1 1 1 6  23 30 o 63.10000       1.655000      1197.392      144.7  
1 1 1 6  23 31 o 35.29000       1.211000      891.9559      -75.5  
1 1 1 6  23 32 o 28.74000       1.121000      924.5576      -2.7   
1 1 1 6  23 33 o 78.34000       1.924000      1303.104      143.6  
1 1 1 6  23 34 o 14.22000       0.9735000     405.1333      70.5   
1 1 1 6  23 35 o 68.62000       1.791000      939.3343      41.5   
1 1 1 6  23 36 o 20.23000       1.066000      560.3660      43.7   
1 1 1 6  23 37 o 18.80000       1.069000      446.4546      -12.4  
1 1 1 6  23 38 o 9.305000       1.005000      533.8486      -124.5 
1 1 1 6  23 39 o 37.45000       1.600000      1012.937      102.3  
1 1 1 6  23 40 o 16.96000       1.379000      619.9334      152.2  
1 1 1 6  23 41 o 59.40000       1.941000      1241.529      -119.5 
1 1 1 6  23 42 o 18.60000       1.162000      682.5757      86.3   
1 1 1 6  23 43 o 6.561000       1.144000      183.1362      -49.7  
1 1 1 6  23 44 o 7.783000       1.244000      462.3882      123.9  
1 1 1 6  23 45 o 10.71000       1.408000      462.8844      58.7   
1 1 1 6  23 46 o 7.802000       1.712000      461.2012      56.9   
1 1 1 6  23 47 o 8.505000       1.321000      567.8286      129.4  
1 1 1 6  23 48 f 87.40000       2.330000      ?             ?      
1 1 1 6  23 49 o 46.60000       1.691000      879.4728      -179.8 
1 1 1 6  23 50 o 42.53000       1.678000      826.2751      83.2   
1 1 1 6  23 51 o 34.70000       1.611000      827.4044      -35.7  
1 1 1 6  23 52 o 6.103000       1.351000      354.0408      -48.3  
1 1 1 6  23 53 o 12.62000       1.398000      431.2286      -136.3 
1 1 1 6  23 54 o 7.053000       1.387000      345.3869      150.9  
1 1 1 6  23 55 o -0.6726000     1.504000      64.13141      -115.3 
1 1 1 6  23 56 o 3.160000       1.531000      ?             ?      
1 1 1 6  23 57 o 22.88000       1.541000      ?             ?      
1 1 1 6  23 58 o 22.41000       1.523000      ?             ?      
1 1 1 6  23 59 o 9.946000       1.378000      ?             ?      
1 1 1 6  23 60 o 7.316000       1.350000      ?             ?      
1 1 1 6  23 61 o 7.316000       1.579000      ?             ?      
1 1 1 6  23 62 o 3.363000       1.711000      ?             ?      
1 1 1 6  23 63 o 4.003000       1.456000      ?             ?      
1 1 1 6  23 64 o 2.455000       1.325000      ?             ?      
1 1 1 6  23 65 o 5.660000       1.481000      ?             ?      
1 1 1 6  23 66 o 5.929000       1.763000      ?             ?      
1 1 1 6  23 67 o 2.581000       1.769000      ?             ?      
1 1 1 6  23 68 o -1.087000      1.726000      ?             ?      
1 1 1 6  23 69 o -0.5405000     1.805000      ?             ?      
1 1 1 6  23 70 o 1.703000       1.572000      ?             ?      
1 1 1 6  23 71 o 1.186000       1.406000      ?             ?      
1 1 1 6  24 0  o 464.0000       12.94000      2609.310      0.0    
1 1 1 6  24 1  o 5.367000       0.5888000     379.2814      -35.0  
1 1 1 6  24 2  o 10.12000       0.6422000     896.6437      9.9    
1 1 1 6  24 3  o 39.66000       1.168000      701.7742      -57.3  
1 1 1 6  24 4  o 88.58000       2.314000      1305.350      -28.7  
1 1 1 6  24 5  o 17.16000       0.7545000     872.2856      -126.4 
1 1 1 6  24 6  o 206.6000       4.454000      2218.959      -129.2 
1 1 1 6  24 7  o 278.2000       5.996000      2226.877      -168.7 
1 1 1 6  24 8  o 307.7000       6.270000      2572.664      -139.4 
1 1 1 6  24 9  o 23.43000       1.054000      773.2219      118.0  
1 1 1 6  24 10 o 209.1000       5.078000      2075.344      -105.0 
1 1 1 6  24 11 o 86.73000       2.545000      1470.280      71.9   
1 1 1 6  24 12 o 329.1000       7.545000      2592.375      82.0   
1 1 1 6  24 13 o 349.5000       7.312000      2563.552      -161.9 
1 1 1 6  24 14 o 69.56000       1.723000      1358.649      -161.6 
1 1 1 6  24 15 o 6.787000       1.019000      769.0138      -15.4  
1 1 1 6  24 16 o 49.19000       1.782000      1184.464      -61.5  
1 1 1 6  24 17 f 8.000000       0.7821000     369.4385      -163.0 
1 1 1 6  24 18 o 34.46000       1.547000      1038.379      45.8   
1 1 1 6  24 19 o 39.92000       1.345000      848.6777      -112.1 
1 1 1 6  24 20 o 69.30000       1.948000      1315.603      69.3   
1 1 1 6  24 21 o 33.47000       1.151000      819.3708      148.8  
1 1 1 6  24 22 o 141.1000       4.191000      1972.682      170.5  
1 1 1 6  24 23 o 51.30000       2.302000      1061.558      167.5  
1 1 1 6  24 24 o 34.84000       1.572000      973.1737      -165.8 
1 1 1 6  24 25 o 152.9000       3.560000      1582.988      -71.4  
1 1 1 6  24 26 o 124.7000       3.218000      1600.238      147.9  
1 1 1 6  24 27 o 18.17000       1.193000      756.0666      85.1   
1 1 1 6  24 28 o 4.093000       1.285000      526.3552      -27.1  
1 1 1 6  24 29 o 76.78000       2.220000      1520.035      38.4   
1 1 1 6  24 30 o 12.01000       1.007000      458.2501      148.0  
1 1 1 6  24 31 o 96.11000       2.232000      1524.193      -22.4  
1 1 1 6  24 32 o 13.33000       0.9198000     872.0834      114.9  
1 1 1 6  24 33 o 22.70000       1.039000      662.5374      -138.2 
1 1 1 6  24 34 o 86.03000       2.074000      1314.665      111.3  
1 1 1 6  24 35 o 29.23000       1.167000      711.4077      111.9  
1 1 1 6  24 36 o 37.21000       1.310000      734.3750      151.1  
1 1 1 6  24 37 o 16.49000       1.037000      547.2599      6.8    
1 1 1 6  24 38 o 119.9000       2.942000      1737.415      -54.6  
1 1 1 6  24 39 o 19.69000       1.434000      584.9554      60.0   
1 1 1 6  24 40 o 51.67000       1.796000      1269.907      -155.4 
1 1 1 6  24 41 o 63.62000       1.938000      1073.468      -102.0 
1 1 1 6  24 42 o 23.81000       1.239000      804.7689      54.7   
1 1 1 6  24 44 o 17.78000       1.227000      609.6675      -158.8 
1 1 1 6  24 45 o 17.45000       1.372000      622.8633      -143.1 
1 1 1 6  24 46 o 24.38000       1.809000      670.1065      -85.7  
1 1 1 6  24 47 o 0.3603000      1.414000      141.5081      117.8  
1 1 1 6  24 48 o 2.688000       1.342000      239.5462      45.5   
1 1 1 6  24 49 o 6.545000       1.262000      411.3646      -173.9 
1 1 1 6  24 50 o 15.84000       1.373000      590.9295      1.8    
1 1 1 6  24 51 o 11.01000       1.371000      571.1505      -65.6  
1 1 1 6  24 52 o 32.90000       1.609000      865.0714      104.4  
1 1 1 6  24 53 o 5.683000       1.346000      533.4761      24.8   
1 1 1 6  24 54 o 5.455000       1.501000      393.1340      -11.2  
1 1 1 6  24 55 o 3.211000       1.615000      264.8032      60.8   
1 1 1 6  24 56 o 4.459000       1.466000      ?             ?      
1 1 1 6  24 57 o 42.62000       1.776000      ?             ?      
1 1 1 6  24 58 o 11.05000       1.395000      ?             ?      
1 1 1 6  24 59 o 5.924000       1.341000      ?             ?      
1 1 1 6  24 60 o 3.845000       1.315000      ?             ?      
1 1 1 6  24 61 o 1.602000       1.424000      ?             ?      
1 1 1 6  24 62 o 2.459000       1.804000      ?             ?      
1 1 1 6  24 63 o 2.858000       1.793000      ?             ?      
1 1 1 6  24 64 o 12.90000       1.907000      ?             ?      
1 1 1 6  24 65 o 3.979000       1.712000      ?             ?      
1 1 1 6  24 66 o 1.560000       1.446000      ?             ?      
1 1 1 6  24 67 o 2.944000       1.359000      ?             ?      
1 1 1 6  24 68 o 5.594000       1.570000      ?             ?      
1 1 1 6  24 69 o -0.4555000     1.521000      ?             ?      
1 1 1 6  24 70 o 6.358000       1.426000      ?             ?      
1 1 1 6  24 71 o 1.826000       1.402000      ?             ?      
1 1 1 6  25 0  o 59.01000       1.949000      967.3530      180.0  
1 1 1 6  25 1  o 70.33000       1.696000      919.7156      114.1  
1 1 1 6  25 2  o 1.684000       0.6890000     453.5772      77.9   
1 1 1 6  25 3  o 41.11000       1.359000      1304.750      -30.3  
1 1 1 6  25 4  o 0.1896000      0.7283000     152.4019      -35.4  
1 1 1 6  25 5  o 18.51000       0.8643000     567.5143      -22.6  
1 1 1 6  25 6  o 749.4000       13.97000      3995.736      -5.9   
1 1 1 6  25 7  o 37.94000       1.108000      850.7650      98.4   
1 1 1 6  25 8  o 13.76000       0.9986000     285.2376      128.7  
1 1 1 6  25 9  o 72.61000       2.005000      930.1349      2.0    
1 1 1 6  25 10 o 2.737000       0.7306000     387.2536      -129.3 
1 1 1 6  25 11 o 7.496000       0.9143000     188.7162      166.6  
1 1 1 6  25 12 o 189.6000       4.576000      2119.979      -136.9 
1 1 1 6  25 13 o 45.27000       1.590000      803.0549      37.6   
1 1 1 6  25 14 o 27.34000       1.156000      627.0256      -106.0 
1 1 1 6  25 15 o 108.1000       2.478000      1836.144      154.5  
1 1 1 6  25 16 o 303.3000       7.451000      2633.255      -15.1  
1 1 1 6  25 17 o 14.78000       1.206000      429.2935      -124.1 
1 1 1 6  25 18 o 57.70000       1.788000      931.4485      80.0   
1 1 1 6  25 19 o 131.9000       4.034000      1495.639      -144.4 
1 1 1 6  25 20 o 18.34000       0.9749000     857.1609      -138.3 
1 1 1 6  25 21 o 51.07000       1.714000      990.0472      -85.4  
1 1 1 6  25 22 o 44.42000       1.845000      900.5367      -84.7  
1 1 1 6  25 23 o 13.28000       1.003000      822.8223      -67.1  
1 1 1 6  25 24 o 19.35000       0.9822000     610.3896      -23.8  
1 1 1 6  25 25 o 74.47000       1.987000      1331.341      167.3  
1 1 1 6  25 26 o 1.031000       0.9130000     438.6642      -165.9 
1 1 1 6  25 27 o 34.87000       1.412000      955.2053      71.9   
1 1 1 6  25 28 o 39.94000       1.389000      1144.255      99.9   
1 1 1 6  25 29 f 15.28000       1.142000      610.7139      -98.5  
1 1 1 6  25 30 o 30.93000       1.359000      827.3634      -42.1  
1 1 1 6  25 31 o 30.77000       1.234000      891.1142      -84.2  
1 1 1 6  25 32 o 3.582000       0.8376000     368.9701      -96.6  
1 1 1 6  25 33 o 30.32000       1.127000      900.1043      -165.1 
1 1 1 6  25 34 o 4.406000       0.8742000     216.9830      76.8   
1 1 1 6  25 35 o 41.13000       1.326000      981.6035      137.5  
1 1 1 6  25 36 o 13.32000       0.9708000     483.7776      -70.4  
1 1 1 6  25 37 o 12.18000       0.9796000     458.8900      39.8   
1 1 1 6  25 38 o 79.59000       2.252000      1385.301      158.6  
1 1 1 6  25 39 o 38.20000       1.704000      811.9055      8.0    
1 1 1 6  25 40 o 9.817000       1.122000      454.3351      -58.9  
1 1 1 6  25 41 o 43.12000       1.470000      946.1318      -113.3 
1 1 1 6  25 42 o 0.5590000      1.034000      286.0782      -77.7  
1 1 1 6  25 43 f 4.478000       1.087000      158.3579      -19.3  
1 1 1 6  25 44 o 1.944000       1.086000      202.3142      -37.8  
1 1 1 6  25 45 o 6.997000       1.254000      249.1702      78.6   
1 1 1 6  25 46 o 10.55000       1.418000      611.8909      65.6   
1 1 1 6  25 47 o 2.131000       1.630000      234.7683      109.2  
1 1 1 6  25 48 o 27.62000       1.863000      672.6549      140.3  
1 1 1 6  25 49 o 2.652000       1.256000      233.2934      -127.4 
1 1 1 6  25 50 o 21.45000       1.436000      755.8171      25.9   
1 1 1 6  25 51 o -0.3906000     1.304000      145.5302      -27.1  
1 1 1 6  25 52 o 14.94000       1.405000      480.6985      45.1   
1 1 1 6  25 53 o 9.132000       1.387000      620.9711      176.7  
1 1 1 6  25 54 o -0.9531000E-01 1.475000      128.7746      57.6   
1 1 1 6  25 55 o 7.807000       1.515000      ?             ?      
1 1 1 6  25 56 o 1.480000       1.319000      ?             ?      
1 1 1 6  25 57 o 7.165000       1.369000      ?             ?      
1 1 1 6  25 58 o 13.98000       1.425000      ?             ?      
1 1 1 6  25 59 o 6.330000       1.338000      ?             ?      
1 1 1 6  25 60 o 4.433000       1.305000      ?             ?      
1 1 1 6  25 61 o 9.751000       1.519000      ?             ?      
1 1 1 6  25 62 o 1.751000       1.792000      ?             ?      
1 1 1 6  25 63 o 1.478000       1.688000      ?             ?      
1 1 1 6  25 64 o 1.030000       1.683000      ?             ?      
1 1 1 6  25 65 o 4.548000       1.336000      ?             ?      
1 1 1 6  25 66 o 1.652000       1.310000      ?             ?      
1 1 1 6  25 67 o 2.631000       1.513000      ?             ?      
1 1 1 6  25 68 o 4.763000       1.807000      ?             ?      
1 1 1 6  25 69 o 2.026000       1.520000      ?             ?      
1 1 1 6  25 70 o 4.385000       1.404000      ?             ?      
1 1 1 6  25 71 o 1.980000       1.412000      ?             ?      
1 1 1 6  26 0  o 33.04000       1.430000      765.3308      0.0    
1 1 1 6  26 1  o 14.87000       0.8031000     956.5333      167.8  
1 1 1 6  26 2  o 4.022000       0.7650000     434.8085      -23.7  
1 1 1 6  26 3  o 13.99000       0.9170000     462.6558      54.8   
1 1 1 6  26 4  o 0.6665000      0.7033000     142.8139      -78.0  
1 1 1 6  26 5  o 98.02000       2.266000      1623.907      108.6  
1 1 1 6  26 6  o 32.33000       1.093000      991.3325      -58.1  
1 1 1 6  26 7  o 91.29000       1.925000      1445.859      45.0   
1 1 1 6  26 8  o 87.23000       2.090000      1213.544      -128.7 
1 1 1 6  26 9  o 3.626000       0.8025000     317.5973      -53.7  
1 1 1 6  26 10 o 202.7000       4.867000      2184.445      -31.7  
1 1 1 6  26 11 o 20.43000       1.149000      1029.839      166.9  
1 1 1 6  26 12 o 98.96000       2.553000      1457.769      96.5   
1 1 1 6  26 13 o 185.8000       4.554000      1873.663      -117.4 
1 1 1 6  26 14 o 38.51000       1.405000      865.7734      145.3  
1 1 1 6  26 15 o 252.6000       5.901000      2312.203      22.6   
1 1 1 6  26 16 o 4.976000       1.078000      371.8403      -145.8 
1 1 1 6  26 17 o 14.29000       1.045000      426.7011      -121.0 
1 1 1 6  26 18 o 17.97000       1.267000      583.0900      1.3    
1 1 1 6  26 19 o 31.46000       1.183000      678.9515      97.1   
1 1 1 6  26 20 o 77.24000       2.061000      1394.907      -7.5   
1 1 1 6  26 21 o 43.10000       2.004000      844.9117      116.8  
1 1 1 6  26 22 o 22.52000       1.130000      656.4980      179.4  
1 1 1 6  26 23 o 12.75000       0.9060000     644.6485      179.9  
1 1 1 6  26 24 o 9.162000       0.8678000     357.2890      74.4   
1 1 1 6  26 25 o 11.02000       0.9016000     488.8093      61.9   
1 1 1 6  26 26 o 11.99000       0.9855000     664.4269      142.3  
1 1 1 6  26 27 o 10.77000       0.9558000     302.6523      153.6  
1 1 1 6  26 28 o 23.73000       1.212000      711.2131      -174.9 
1 1 1 6  26 29 o 3.440000       0.9327000     220.6904      167.5  
1 1 1 6  26 30 o 27.97000       1.223000      840.3406      -21.8  
1 1 1 6  26 31 o 59.76000       1.739000      1261.495      66.6   
1 1 1 6  26 32 o 42.90000       1.320000      948.4086      179.3  
1 1 1 6  26 33 o 47.17000       1.384000      935.5738      -162.4 
1 1 1 6  26 34 o 21.52000       1.022000      558.6415      131.3  
1 1 1 6  26 35 o 10.40000       0.9221000     430.8253      168.1  
1 1 1 6  26 36 o 69.15000       1.809000      1161.850      -157.1 
1 1 1 6  26 37 o 29.87000       1.184000      853.6306      7.1    
1 1 1 6  26 38 o 7.717000       1.019000      475.4914      50.4   
1 1 1 6  26 39 o 7.737000       1.086000      450.2324      100.4  
1 1 1 6  26 40 o 7.782000       0.9974000     259.7738      -27.3  
1 1 1 6  26 41 o 8.913000       1.029000      480.2595      -7.7   
1 1 1 6  26 42 o 20.81000       1.184000      626.9063      84.6   
1 1 1 6  26 43 o 28.90000       1.313000      632.5543      162.4  
1 1 1 6  26 44 o 7.724000       1.121000      463.5666      153.0  
1 1 1 6  26 45 o 2.683000       1.138000      253.3278      -153.6 
1 1 1 6  26 46 o 3.239000       1.296000      412.3725      119.8  
1 1 1 6  26 47 o 46.50000       2.211000      802.4229      101.5  
1 1 1 6  26 48 o 7.534000       1.546000      388.2243      -113.9 
1 1 1 6  26 49 o 20.34000       1.565000      561.7278      -137.3 
1 1 1 6  26 50 o 2.017000       1.294000      250.8530      -34.2  
1 1 1 6  26 51 o 3.364000       1.310000      334.0766      -147.0 
1 1 1 6  26 52 o 14.49000       1.391000      532.8328      80.8   
1 1 1 6  26 53 o 8.596000       1.508000      475.5359      18.7   
1 1 1 6  26 54 o 19.88000       1.757000      ?             ?      
1 1 1 6  26 55 o -0.2941000     1.383000      ?             ?      
1 1 1 6  26 56 o 3.225000       1.307000      ?             ?      
1 1 1 6  26 58 o 1.294000       1.303000      ?             ?      
1 1 1 6  26 59 o -0.4826000E-01 1.409000      ?             ?      
1 1 1 6  26 60 f 4.370000       1.732000      ?             ?      
1 1 1 6  26 61 o 0.8147000      1.712000      ?             ?      
1 1 1 6  26 62 o 11.53000       1.519000      ?             ?      
1 1 1 6  26 63 o 1.740000       1.766000      ?             ?      
1 1 1 6  26 64 o 1.358000       1.809000      ?             ?      
1 1 1 6  26 65 o -0.5715000     1.426000      ?             ?      
1 1 1 6  26 66 o -0.4103000     1.305000      ?             ?      
1 1 1 6  26 67 o 6.434000       1.555000      ?             ?      
1 1 1 6  26 68 o 4.835000       1.540000      ?             ?      
1 1 1 6  26 69 o 3.106000       1.371000      ?             ?      
1 1 1 6  26 70 o 2.840000       1.390000      ?             ?      
1 1 1 6  27 0  o 2.668000       1.154000      319.5134      -180.0 
1 1 1 6  27 1  o 9.360000       0.8999000     360.7785      144.0  
1 1 1 6  27 2  o 36.25000       1.216000      821.5662      -94.8  
1 1 1 6  27 3  o 33.29000       1.205000      582.4359      -121.5 
1 1 1 6  27 4  o 7.218000       0.7511000     622.8569      58.8   
1 1 1 6  27 5  o 55.50000       1.523000      851.7032      15.1   
1 1 1 6  27 6  o 102.6000       2.222000      1532.519      124.9  
1 1 1 6  27 7  o 21.35000       0.8726000     773.6718      -74.4  
1 1 1 6  27 8  o 1.980000       0.7874000     207.3889      38.0   
1 1 1 6  27 9  o 20.44000       1.165000      849.1929      -2.9   
1 1 1 6  27 10 o 123.8000       3.144000      1323.120      -49.7  
1 1 1 6  27 11 o 73.87000       2.129000      1239.921      131.1  
1 1 1 6  27 12 o 14.52000       1.079000      565.4748      153.0  
1 1 1 6  27 13 o 129.4000       3.200000      1655.591      119.3  
1 1 1 6  27 14 o 19.49000       1.208000      623.7514      -76.4  
1 1 1 6  27 15 o 3.324000       1.004000      102.8345      15.0   
1 1 1 6  27 16 o 58.57000       1.863000      1120.900      -32.8  
1 1 1 6  27 17 o 143.5000       3.178000      1691.319      -157.8 
1 1 1 6  27 18 o 26.53000       1.204000      681.5087      -11.7  
1 1 1 6  27 19 o 23.16000       1.113000      505.2301      43.2   
1 1 1 6  27 20 o 19.64000       0.9866000     484.5482      -17.8  
1 1 1 6  27 21 o 30.94000       1.174000      668.6221      -26.8  
1 1 1 6  27 22 o 135.7000       3.709000      1764.313      -127.1 
1 1 1 6  27 23 o 80.50000       2.084000      1143.875      101.1  
1 1 1 6  27 24 o 19.67000       0.9684000     429.3784      35.0   
1 1 1 6  27 25 o 10.52000       0.9022000     408.5212      97.2   
1 1 1 6  27 26 o 27.40000       1.342000      827.6763      27.6   
1 1 1 6  27 27 o 12.67000       0.9742000     621.4595      41.2   
1 1 1 6  27 28 o 38.75000       1.558000      883.3677      -85.5  
1 1 1 6  27 29 o 44.07000       1.600000      770.5397      -76.2  
1 1 1 6  27 30 f 22.81000       1.141000      833.0403      -126.9 
1 1 1 6  27 31 o 16.59000       1.176000      613.5225      -115.8 
1 1 1 6  27 32 o 5.165000       0.9640000     403.8607      -149.4 
1 1 1 6  27 33 o 4.471000       0.8501000     135.7985      -78.5  
1 1 1 6  27 34 o 10.38000       0.9054000     580.4864      -9.2   
1 1 1 6  27 35 o 26.14000       1.111000      820.7264      -67.1  
1 1 1 6  27 36 o 35.39000       1.243000      801.9493      -159.7 
1 1 1 6  27 37 o 5.670000       0.9734000     203.9680      129.1  
1 1 1 6  27 38 o 20.16000       1.303000      653.2948      110.2  
1 1 1 6  27 39 o 8.069000       1.055000      334.0970      -51.2  
1 1 1 6  27 40 o 5.715000       0.9583000     381.7990      157.8  
1 1 1 6  27 41 o 22.18000       1.175000      630.8803      -149.0 
1 1 1 6  27 42 o 4.033000       1.032000      103.1491      -62.0  
1 1 1 6  27 43 o 6.860000       1.098000      390.8110      -22.4  
1 1 1 6  27 44 o 3.513000       1.120000      219.0153      -149.8 
1 1 1 6  27 45 o 21.81000       1.316000      567.1296      -155.6 
1 1 1 6  27 46 o 23.33000       1.504000      763.8854      -25.3  
1 1 1 6  27 47 o 4.193000       1.454000      290.2899      -140.8 
1 1 1 6  27 48 o 4.195000       1.733000      221.9609      -110.4 
1 1 1 6  27 49 o 12.66000       1.655000      371.0392      17.5   
1 1 1 6  27 50 o 8.317000       1.335000      437.7514      -33.9  
1 1 1 6  27 51 o 12.43000       1.373000      478.6081      -72.7  
1 1 1 6  27 52 o 5.610000       1.404000      339.0929      26.2   
1 1 1 6  27 53 o 1.179000       1.464000      261.3416      -147.3 
1 1 1 6  27 54 o 11.05000       1.522000      ?             ?      
1 1 1 6  27 55 o 1.656000       1.279000      ?             ?      
1 1 1 6  27 56 o 9.743000       1.348000      ?             ?      
1 1 1 6  27 57 o 1.174000       1.460000      ?             ?      
1 1 1 6  27 58 o 3.350000       1.693000      ?             ?      
1 1 1 6  27 59 o 2.345000       1.696000      ?             ?      
1 1 1 6  27 60 o 3.174000       1.437000      ?             ?      
1 1 1 6  27 61 o 12.83000       1.395000      ?             ?      
1 1 1 6  27 62 o 0.7646000      1.295000      ?             ?      
1 1 1 6  27 63 o -0.5614000     1.518000      ?             ?      
1 1 1 6  27 64 o -1.461000      1.683000      ?             ?      
1 1 1 6  27 65 o 0.3958000      1.433000      ?             ?      
1 1 1 6  27 66 o 4.962000       1.507000      ?             ?      
1 1 1 6  27 67 o 2.051000       1.742000      ?             ?      
1 1 1 6  27 68 o 0.1081000      1.491000      ?             ?      
1 1 1 6  27 69 o 1.699000       1.374000      ?             ?      
1 1 1 6  27 70 o 1.164000       1.372000      ?             ?      
1 1 1 6  28 0  o 4.577000       1.264000      186.4584      180.0  
1 1 1 6  28 1  o 47.96000       1.530000      1069.551      -139.0 
1 1 1 6  28 2  o 7.629000       0.9856000     307.0778      -62.9  
1 1 1 6  28 3  o 2.582000       0.8538000     399.9552      -18.9  
1 1 1 6  28 4  o 13.12000       0.8606000     359.3598      117.2  
1 1 1 6  28 5  o 14.08000       0.8166000     655.8122      -6.2   
1 1 1 6  28 6  o 42.65000       1.197000      602.5955      5.0    
1 1 1 6  28 7  o 87.17000       2.140000      1305.635      139.8  
1 1 1 6  28 8  o 10.00000       0.8173000     114.7745      157.9  
1 1 1 6  28 9  o 25.67000       1.029000      579.2180      -28.5  
1 1 1 6  28 10 o 15.13000       0.9392000     543.0057      42.2   
1 1 1 6  28 11 o 15.04000       1.179000      758.9560      75.3   
1 1 1 6  28 12 o 59.99000       1.918000      888.6015      177.8  
1 1 1 6  28 13 o 11.47000       1.112000      440.1927      -51.1  
1 1 1 6  28 14 o 9.677000       1.089000      383.7885      -55.7  
1 1 1 6  28 15 o 3.952000       1.002000      60.18812      -93.4  
1 1 1 6  28 16 o 81.66000       2.246000      1042.755      -72.5  
1 1 1 6  28 17 o 126.1000       2.862000      1396.181      76.5   
1 1 1 6  28 18 o 15.25000       1.027000      681.3420      106.4  
1 1 1 6  28 19 o 3.782000       1.159000      403.1632      26.9   
1 1 1 6  28 20 o 95.88000       3.326000      1400.285      31.9   
1 1 1 6  28 21 o 25.56000       1.087000      734.2459      103.1  
1 1 1 6  28 22 o 33.09000       1.230000      961.3148      153.0  
1 1 1 6  28 23 o 42.45000       1.396000      908.5327      141.0  
1 1 1 6  28 24 o 9.145000       0.8156000     477.4832      126.2  
1 1 1 6  28 25 o 5.346000       0.7877000     376.4003      29.4   
1 1 1 6  28 26 o 2.131000       0.7510000     73.74297      153.2  
1 1 1 6  28 27 o 13.63000       0.9027000     599.6174      20.1   
1 1 1 6  28 28 o 28.20000       1.460000      789.8577      -31.0  
1 1 1 6  28 29 o 18.64000       1.161000      586.0803      -72.9  
1 1 1 6  28 30 o 6.517000       0.9785000     400.2599      59.3   
1 1 1 6  28 31 o 15.49000       1.144000      475.0981      95.9   
1 1 1 6  28 32 o 2.775000       1.120000      260.9262      -13.0  
1 1 1 6  28 33 o 16.74000       1.084000      598.5762      66.5   
1 1 1 6  28 34 o 34.56000       1.219000      794.6107      89.7   
1 1 1 6  28 35 o 19.73000       1.033000      587.8635      -135.0 
1 1 1 6  28 36 o 1.953000       0.9818000     122.7391      142.3  
1 1 1 6  28 37 o 6.147000       0.9905000     260.3261      -57.3  
1 1 1 6  28 38 o 5.717000       1.016000      364.9411      -52.8  
1 1 1 6  28 39 o 6.864000       0.9594000     428.8879      -79.3  
1 1 1 6  28 40 o 20.31000       1.131000      650.3074      -51.0  
1 1 1 6  28 41 o 11.69000       1.196000      460.6827      31.3   
1 1 1 6  28 42 o 6.859000       1.072000      332.1916      -174.1 
1 1 1 6  28 43 o 3.826000       1.095000      239.0995      -108.8 
1 1 1 6  28 44 o 25.83000       1.336000      701.5910      76.5   
1 1 1 6  28 45 o 3.167000       1.166000      235.7105      140.5  
1 1 1 6  28 46 o 4.386000       1.214000      228.6759      29.5   
1 1 1 6  28 47 o 8.931000       1.387000      410.5172      -36.2  
1 1 1 6  28 48 o 5.764000       1.766000      379.8667      -139.8 
1 1 1 6  28 49 o 0.3878000      1.579000      218.6808      72.7   
1 1 1 6  28 50 o 3.508000       1.456000      233.0410      73.3   
1 1 1 6  28 51 o 1.156000       1.297000      129.2796      -10.1  
1 1 1 6  28 52 o 3.404000       1.464000      223.0496      48.9   
1 1 1 6  28 53 o 5.692000       1.600000      ?             ?      
1 1 1 6  28 54 o 3.180000       1.402000      ?             ?      
1 1 1 6  28 55 o 4.285000       1.437000      ?             ?      
1 1 1 6  28 56 o 0.5069000      1.702000      ?             ?      
1 1 1 6  28 57 o 0.1636000E-01  1.696000      ?             ?      
1 1 1 6  28 58 o -0.9930000     1.381000      ?             ?      
1 1 1 6  28 59 o 0.3467000      1.276000      ?             ?      
1 1 1 6  28 60 o -1.316000      1.270000      ?             ?      
1 1 1 6  28 61 o 0.5050000      1.273000      ?             ?      
1 1 1 6  28 62 o 3.673000       1.284000      ?             ?      
1 1 1 6  28 63 o 5.141000       1.448000      ?             ?      
1 1 1 6  28 64 o -0.4727000     1.775000      ?             ?      
1 1 1 6  28 65 o 0.7684000      1.809000      ?             ?      
1 1 1 6  28 66 o 2.153000       1.709000      ?             ?      
1 1 1 6  28 67 o 0.5371000      1.497000      ?             ?      
1 1 1 6  28 68 o 0.1209000      1.357000      ?             ?      
1 1 1 6  28 69 o 2.663000       1.357000      ?             ?      
1 1 1 6  29 0  o 1.748000       1.712000      216.9441      -0.0   
1 1 1 6  29 1  o 7.025000       1.083000      422.0479      127.6  
1 1 1 6  29 2  o 19.45000       1.018000      582.6421      31.9   
1 1 1 6  29 3  o 9.454000       0.9063000     391.9947      -166.0 
1 1 1 6  29 4  o 6.101000       0.8246000     203.8103      -160.8 
1 1 1 6  29 5  o 2.731000       0.7686000     131.2143      169.6  
1 1 1 6  29 6  o -1.113000      0.7428000     249.3472      92.1   
1 1 1 6  29 7  o 3.207000       0.7464000     478.1611      -84.6  
1 1 1 6  29 8  o 13.51000       0.8396000     364.8627      -135.3 
1 1 1 6  29 9  o 4.328000       0.7800000     499.8654      -77.2  
1 1 1 6  29 10 o 2.024000       0.8564000     218.4620      4.6    
1 1 1 6  29 11 o 33.76000       1.378000      650.5210      169.0  
1 1 1 6  29 12 o 41.59000       1.485000      867.8403      144.2  
1 1 1 6  29 13 o 117.9000       3.066000      1497.076      -11.9  
1 1 1 6  29 14 o 4.461000       1.067000      461.9181      55.2   
1 1 1 6  29 15 o 15.37000       1.143000      496.0970      63.2   
1 1 1 6  29 16 o 19.13000       1.178000      622.8842      -153.3 
1 1 1 6  29 17 o 38.21000       1.312000      762.3475      126.2  
1 1 1 6  29 18 o 1.116000       0.8978000     240.1345      105.7  
1 1 1 6  29 19 o 9.195000       1.118000      514.7939      48.5   
1 1 1 6  29 20 o 3.376000       1.141000      462.6168      -164.7 
1 1 1 6  29 21 o 20.95000       1.116000      424.7867      -128.4 
1 1 1 6  29 22 o 8.819000       0.7858000     332.0351      -27.9  
1 1 1 6  29 23 o 6.785000       0.7434000     325.0641      -31.9  
1 1 1 6  29 24 o 2.389000       0.6651000     262.7187      -45.8  
1 1 1 6  29 25 o 6.320000       0.7372000     404.7933      100.8  
1 1 1 6  29 26 o 31.26000       1.067000      813.7374      68.9   
1 1 1 6  29 27 o 35.13000       1.273000      890.9512      -38.2  
1 1 1 6  29 28 o 0.4197000      0.8249000     219.2445      152.7  
1 1 1 6  29 29 o 3.632000       0.9078000     105.9759      -95.2  
1 1 1 6  29 30 o 29.95000       1.295000      698.7709      -150.5 
1 1 1 6  29 31 o 6.432000       1.023000      218.2865      -139.4 
1 1 1 6  29 32 o 4.243000       0.9759000     253.0057      89.4   
1 1 1 6  29 33 o 0.3173000E-01  1.133000      72.91396      163.5  
1 1 1 6  29 34 o 11.45000       0.9443000     408.9789      -46.9  
1 1 1 6  29 35 o 6.346000       0.9126000     275.4533      -144.0 
1 1 1 6  29 36 o 5.946000       0.9609000     233.3986      158.5  
1 1 1 6  29 37 o 2.599000       1.068000      194.7242      -2.6   
1 1 1 6  29 38 o 17.02000       1.139000      601.3965      40.5   
1 1 1 6  29 39 o 27.39000       1.350000      664.6559      25.1   
1 1 1 6  29 40 o 6.300000       1.010000      409.7159      128.8  
1 1 1 6  29 41 o 4.023000       1.027000      182.6064      -127.8 
1 1 1 6  29 42 o 5.546000       1.077000      277.4040      -128.9 
1 1 1 6  29 43 o 1.623000       1.073000      228.8476      158.6  
1 1 1 6  29 44 o 3.129000       1.109000      152.8079      -95.7  
1 1 1 6  29 45 o 1.885000       1.138000      40.91738      -170.6 
1 1 1 6  29 46 o 33.50000       1.501000      701.8245      -39.4  
1 1 1 6  29 47 o 8.795000       1.390000      409.7826      -147.6 
1 1 1 6  29 48 o -1.650000      1.475000      134.4902      -42.1  
1 1 1 6  29 49 o 3.888000       1.745000      252.9004      -122.9 
1 1 1 6  29 50 o 1.216000       1.580000      141.4911      -12.1  
1 1 1 6  29 51 o 5.387000       1.660000      329.0138      48.8   
1 1 1 6  29 52 o 2.762000       1.583000      ?             ?      
1 1 1 6  29 53 o -0.7037000     1.689000      ?             ?      
1 1 1 6  29 54 o 0.7967000      1.701000      ?             ?      
1 1 1 6  29 55 o 4.550000       1.842000      ?             ?      
1 1 1 6  29 56 o 0.1985000E-01  1.374000      ?             ?      
1 1 1 6  29 57 o 8.321000       1.300000      ?             ?      
1 1 1 6  29 58 o 0.6771000      1.246000      ?             ?      
1 1 1 6  29 59 o 2.904000       1.259000      ?             ?      
1 1 1 6  29 60 o 0.6261000      1.255000      ?             ?      
1 1 1 6  29 61 o 0.6370000E-01  1.265000      ?             ?      
1 1 1 6  29 62 o 4.088000       1.312000      ?             ?      
1 1 1 6  29 63 o -0.5030000     1.288000      ?             ?      
1 1 1 6  29 64 o 2.788000       1.534000      ?             ?      
1 1 1 6  29 65 o -0.3687000E-01 2.268000      ?             ?      
1 1 1 6  29 66 o 1.528000       2.130000      ?             ?      
1 1 1 6  29 67 o -0.6636000     1.485000      ?             ?      
1 1 1 6  29 68 o 3.371000       1.345000      ?             ?      
1 1 1 6  29 69 o 1.494000       1.369000      ?             ?      
1 1 1 6  30 0  o 11.44000       1.928000      274.6340      0.0    
1 1 1 6  30 1  o 0.4430000      1.263000      91.53710      118.1  
1 1 1 6  30 2  o 11.48000       1.022000      410.4973      169.0  
1 1 1 6  30 3  o 33.00000       1.310000      678.1470      -64.0  
1 1 1 6  30 4  o 2.725000       0.9544000     154.9618      -54.4  
1 1 1 6  30 5  o 2.956000       0.7966000     108.6237      -171.9 
1 1 1 6  30 6  o 21.50000       0.9094000     737.5092      85.6   
1 1 1 6  30 7  o 1.843000       0.7321000     318.0587      117.0  
1 1 1 6  30 8  o 0.3359000      0.7418000     140.8766      -135.6 
1 1 1 6  30 9  o 22.63000       1.032000      726.1905      -10.6  
1 1 1 6  30 10 o 16.21000       1.130000      450.4518      25.0   
1 1 1 6  30 11 o 12.29000       1.078000      375.8882      163.1  
1 1 1 6  30 12 o 13.66000       1.151000      520.5923      -167.6 
1 1 1 6  30 13 o 12.60000       1.099000      425.5087      -41.0  
1 1 1 6  30 14 o 86.20000       2.501000      987.9050      81.5   
1 1 1 6  30 15 o 3.300000       1.084000      352.5251      -159.6 
1 1 1 6  30 16 o 8.016000       1.069000      441.2068      50.9   
1 1 1 6  30 17 o 3.405000       1.104000      179.9241      -150.9 
1 1 1 6  30 18 o 5.462000       1.118000      338.1366      -151.9 
1 1 1 6  30 19 o 2.373000       1.108000      179.7607      30.8   
1 1 1 6  30 20 o 12.19000       0.8323000     578.2178      54.1   
1 1 1 6  30 21 o 3.785000       1.127000      203.4606      126.4  
1 1 1 6  30 22 o 0.9857000      0.9442000     176.0020      64.6   
1 1 1 6  30 23 o 2.113000       0.6536000     150.4529      127.4  
1 1 1 6  30 24 o 5.446000       0.6651000     265.8157      39.6   
1 1 1 6  30 25 o 0.5672000E-01  0.6504000     73.73354      131.8  
1 1 1 6  30 26 o 6.314000       0.7374000     361.7728      -152.1 
1 1 1 6  30 27 f 2.039000       0.7197000     102.7107      -129.2 
1 1 1 6  30 28 o 11.82000       0.8105000     366.6512      66.3   
1 1 1 6  30 29 o 2.364000       0.7961000     258.6832      -88.6  
1 1 1 6  30 30 o 33.08000       1.482000      593.0427      -8.4   
1 1 1 6  30 31 o 0.9479000      0.9580000     128.5788      -104.3 
1 1 1 6  30 32 o 4.405000       0.9658000     294.7291      55.0   
1 1 1 6  30 33 o 10.02000       1.301000      506.3848      111.8  
1 1 1 6  30 34 o 1.916000       1.224000      140.0079      -127.9 
1 1 1 6  30 35 o 3.781000       0.9038000     244.6354      13.5   
1 1 1 6  30 36 o 7.277000       1.049000      273.2312      -39.9  
1 1 1 6  30 37 o 0.4024000      1.025000      130.9843      -64.0  
1 1 1 6  30 38 o 1.747000       0.9608000     180.1842      150.5  
1 1 1 6  30 39 o 8.988000       1.013000      495.1594      -74.7  
1 1 1 6  30 40 o 1.811000       0.9797000     112.5716      -150.3 
1 1 1 6  30 41 o 2.938000       1.022000      299.7487      -33.4  
1 1 1 6  30 42 o 11.30000       1.128000      449.2704      -124.9 
1 1 1 6  30 43 o 10.21000       1.138000      350.2662      -0.7   
1 1 1 6  30 44 o 5.257000       1.127000      203.8622      158.0  
1 1 1 6  30 45 o 6.882000       1.175000      362.8352      170.1  
1 1 1 6  30 46 o 3.327000       1.207000      207.8605      -35.6  
1 1 1 6  30 47 o 12.94000       1.294000      402.7823      25.7   
1 1 1 6  30 48 o 1.084000       1.362000      46.79283      -55.4  
1 1 1 6  30 49 o 0.3973000      1.480000      92.42045      -9.4   
1 1 1 6  30 50 o 3.015000       1.846000      279.2457      80.2   
1 1 1 6  30 51 o -0.8687000     1.656000      147.0201      114.4  
1 1 1 6  30 52 o 10.98000       2.204000      ?             ?      
1 1 1 6  30 53 o -0.3585000     1.795000      ?             ?      
1 1 1 6  30 54 o 3.872000       1.396000      ?             ?      
1 1 1 6  30 55 o 8.771000       1.314000      ?             ?      
1 1 1 6  30 56 f 0.2855000      1.259000      ?             ?      
1 1 1 6  30 57 o 2.834000       1.251000      ?             ?      
1 1 1 6  30 58 o 2.981000       1.241000      ?             ?      
1 1 1 6  30 59 o 3.201000       1.246000      ?             ?      
1 1 1 6  30 60 o 4.271000       1.269000      ?             ?      
1 1 1 6  30 61 o -1.912000      1.241000      ?             ?      
1 1 1 6  30 62 o 0.7299000      1.275000      ?             ?      
1 1 1 6  30 63 o 0.9177000      1.263000      ?             ?      
1 1 1 6  30 64 o 1.113000       1.421000      ?             ?      
1 1 1 6  30 65 o -1.799000      2.485000      ?             ?      
1 1 1 6  30 66 o 3.758000       2.503000      ?             ?      
1 1 1 6  30 67 o 2.065000       1.475000      ?             ?      
1 1 1 6  30 68 o 1.735000       1.373000      ?             ?      
1 1 1 6  31 1  o 15.63000       2.038000      197.4303      166.1  
1 1 1 6  31 2  o 9.774000       1.673000      389.1064      150.4  
1 1 1 6  31 3  o 19.08000       1.036000      293.9566      152.8  
1 1 1 6  31 4  o 13.89000       1.048000      323.8375      -58.8  
1 1 1 6  31 5  o 3.661000       0.8074000     188.1739      69.1   
1 1 1 6  31 6  o -0.4841000     0.7415000     283.6962      -65.1  
1 1 1 6  31 7  o 8.424000       0.7594000     185.2959      -55.4  
1 1 1 6  31 8  o 3.323000       0.7854000     248.6695      -56.7  
1 1 1 6  31 9  o 4.594000       0.7522000     370.2350      -94.1  
1 1 1 6  31 10 o 16.01000       1.169000      446.7157      109.5  
1 1 1 6  31 11 o -2.588000      0.9740000     96.34955      25.3   
1 1 1 6  31 12 o -1.172000      0.9987000     167.6658      66.5   
1 1 1 6  31 13 o 2.278000       1.001000      204.8374      52.1   
1 1 1 6  31 14 o -0.4881000     1.016000      68.16182      -174.9 
1 1 1 6  31 15 o 2.008000       0.9989000     99.35516      -177.8 
1 1 1 6  31 16 o 1.816000       1.079000      300.5621      167.5  
1 1 1 6  31 17 o 5.811000       1.107000      93.68865      123.5  
1 1 1 6  31 18 f 7.158000       1.501000      11.93568      -122.5 
1 1 1 6  31 19 o -0.3503000     1.013000      182.3170      72.5   
1 1 1 6  31 20 o 0.9629000      1.117000      215.8704      34.2   
1 1 1 6  31 21 o 20.16000       1.113000      379.9918      0.1    
1 1 1 6  31 22 o 1.090000       0.8835000     251.1083      -67.4  
1 1 1 6  31 23 o 5.622000       0.9903000     204.0721      -27.6  
1 1 1 6  31 24 f -0.1514000     0.6231000     70.89508      11.6   
1 1 1 6  31 25 o 1.915000       0.6344000     101.8512      112.9  
1 1 1 6  31 26 o 2.421000       0.6610000     232.6255      71.9   
1 1 1 6  31 27 o 30.34000       1.108000      395.1592      -30.8  
1 1 1 6  31 28 o 6.199000       0.7480000     195.3804      152.2  
1 1 1 6  31 29 o 1.456000       0.7311000     112.3121      148.2  
1 1 1 6  31 30 o 9.075000       1.217000      140.9805      -84.2  
1 1 1 6  31 31 o 5.901000       0.9209000     236.7702      104.4  
1 1 1 6  31 32 o 2.727000       0.9031000     178.0515      -63.4  
1 1 1 6  31 33 o 4.326000       1.072000      132.8991      -67.8  
1 1 1 6  31 34 o 2.871000       1.223000      118.1384      -122.8 
1 1 1 6  31 35 o 1.266000       1.232000      156.0882      53.4   
1 1 1 6  31 36 o 3.367000       1.032000      139.5548      78.2   
1 1 1 6  31 37 o 6.669000       1.045000      177.6672      -4.2   
1 1 1 6  31 38 o 3.220000       0.9940000     236.8073      -18.3  
1 1 1 6  31 39 o 12.30000       1.069000      409.4772      33.2   
1 1 1 6  31 40 o 3.722000       1.056000      101.7984      65.7   
1 1 1 6  31 41 o 2.719000       1.085000      187.5798      -143.1 
1 1 1 6  31 42 o 0.7759000      1.069000      12.97392      -61.2  
1 1 1 6  31 43 o 2.760000       1.102000      86.28217      120.7  
1 1 1 6  31 44 o 3.683000       1.140000      143.1160      15.9   
1 1 1 6  31 45 o 3.400000       1.182000      171.6218      -107.5 
1 1 1 6  31 46 o 6.446000       1.215000      282.6917      -126.6 
1 1 1 6  31 47 o -0.2256000E-01 1.200000      18.03360      126.0  
1 1 1 6  31 48 o 6.280000       1.699000      183.6159      90.6   
1 1 1 6  31 49 o 8.284000       1.844000      234.1295      110.0  
1 1 1 6  31 50 o 3.089000       1.811000      147.4037      90.0   
1 1 1 6  31 51 o -1.529000      2.509000      ?             ?      
1 1 1 6  31 52 o 3.807000       2.290000      ?             ?      
1 1 1 6  31 53 o 5.413000       1.262000      ?             ?      
1 1 1 6  31 54 o 5.003000       1.279000      ?             ?      
1 1 1 6  31 55 o -0.1339000     1.229000      ?             ?      
1 1 1 6  31 56 o -0.2274000     1.230000      ?             ?      
1 1 1 6  31 57 o 2.332000       1.235000      ?             ?      
1 1 1 6  31 58 o 0.8884000      1.212000      ?             ?      
1 1 1 6  31 59 o 4.210000       1.256000      ?             ?      
1 1 1 6  31 60 o 2.281000       1.241000      ?             ?      
1 1 1 6  31 61 o 1.837000       1.330000      ?             ?      
1 1 1 6  31 62 o 4.563000       1.307000      ?             ?      
1 1 1 6  31 63 o 0.7905000      1.268000      ?             ?      
1 1 1 6  31 64 o 2.852000       1.452000      ?             ?      
1 1 1 6  31 65 o 1.828000       2.327000      ?             ?      
1 1 1 6  31 66 o -3.415000      2.312000      ?             ?      
1 1 1 6  31 67 o -0.7140000     1.599000      ?             ?      
1 1 1 6  31 68 o 1.712000       1.394000      ?             ?      
1 1 1 6  32 0  o -3.932000      1.583000      246.3190      0.0    
1 1 1 6  32 1  o 8.301000       1.283000      225.4959      -27.8  
1 1 1 6  32 2  f 12.31000       1.683000      127.0863      -151.1 
1 1 1 6  32 3  o 11.23000       0.9536000     76.85885      -111.9 
1 1 1 6  32 4  o 9.281000       1.115000      325.5247      -75.6  
1 1 1 6  32 5  o 4.727000       0.8064000     152.1074      62.3   
1 1 1 6  32 6  o 0.1218000      0.7370000     224.7307      95.2   
1 1 1 6  32 7  o 3.338000       0.8968000     94.42689      35.4   
1 1 1 6  32 8  o 7.437000       0.9054000     165.1501      79.4   
1 1 1 6  32 9  o 1.294000       0.7240000     26.23378      20.3   
1 1 1 6  32 10 o 5.140000       1.161000      41.80517      59.4   
1 1 1 6  32 11 o -0.5207000     0.7981000     92.06808      -83.1  
1 1 1 6  32 12 o 6.490000       0.9908000     194.3744      -41.5  
1 1 1 6  32 13 o 4.155000       1.028000      275.5795      151.9  
1 1 1 6  32 14 o -0.4225000     1.035000      94.09987      -111.3 
1 1 1 6  32 15 o -0.9693000     1.031000      160.5350      4.9    
1 1 1 6  32 16 o 2.683000       1.048000      184.8022      27.1   
1 1 1 6  32 17 o 4.970000       1.420000      326.2336      -136.8 
1 1 1 6  32 18 o 1.694000       1.432000      150.4011      145.3  
1 1 1 6  32 19 o 18.11000       1.893000      236.4463      -72.3  
1 1 1 6  32 20 o 8.629000       1.266000      321.9322      -141.0 
1 1 1 6  32 21 o 7.033000       1.094000      313.7877      0.7    
1 1 1 6  32 22 o 8.274000       0.9922000     273.7756      178.6  
1 1 1 6  32 23 o -0.5286000     0.8479000     129.8704      -62.5  
1 1 1 6  32 24 o 1.225000       0.8321000     176.2214      -176.7 
1 1 1 6  32 25 o 1.905000       0.6394000     119.2825      -86.6  
1 1 1 6  32 26 o 1.345000       0.6418000     101.2058      -120.1 
1 1 1 6  32 27 o 0.3715000      0.6670000     219.5443      -177.2 
1 1 1 6  32 28 o 2.429000       0.7067000     130.3269      124.2  
1 1 1 6  32 29 o 2.599000       0.7245000     87.52239      179.2  
1 1 1 6  32 30 o 4.279000       0.7803000     152.1422      168.6  
1 1 1 6  32 31 o 9.284000       0.9721000     173.2034      -78.8  
1 1 1 6  32 32 o 3.975000       0.9283000     145.1800      65.3   
1 1 1 6  32 33 o 4.602000       0.9913000     121.7714      113.2  
1 1 1 6  32 34 o 5.962000       1.058000      341.0822      -46.3  
1 1 1 6  32 35 o 4.901000       1.517000      194.1105      -40.2  
1 1 1 6  32 36 o 4.822000       1.302000      230.0592      143.5  
1 1 1 6  32 37 o 2.855000       0.9628000     35.20142      -121.0 
1 1 1 6  32 38 o -0.8175000     0.9853000     208.5912      -42.1  
1 1 1 6  32 39 o 6.356000       1.088000      142.4201      54.0   
1 1 1 6  32 40 o 8.378000       1.215000      261.8090      98.8   
1 1 1 6  32 41 o 3.699000       1.190000      124.0981      -109.4 
1 1 1 6  32 42 o 5.014000       1.123000      189.1872      -61.1  
1 1 1 6  32 43 o 2.177000       1.163000      166.4399      134.3  
1 1 1 6  32 44 o 4.103000       1.197000      237.5310      -134.4 
1 1 1 6  32 45 o 5.854000       1.192000      181.1148      -70.2  
1 1 1 6  32 46 o 7.409000       1.364000      291.5461      124.0  
1 1 1 6  32 47 o 4.075000       1.248000      132.6579      70.7   
1 1 1 6  32 48 o 0.7815000      1.695000      102.6659      -73.7  
1 1 1 6  32 49 o 1.926000       1.539000      58.46154      111.5  
1 1 1 6  32 50 o -2.733000      1.655000      ?             ?      
1 1 1 6  32 51 o -0.4929000     2.270000      ?             ?      
1 1 1 6  32 52 o 0.4678000E-01  1.591000      ?             ?      
1 1 1 6  32 53 o 4.973000       1.238000      ?             ?      
1 1 1 6  32 54 o 4.462000       1.224000      ?             ?      
1 1 1 6  32 55 o 4.853000       1.219000      ?             ?      
1 1 1 6  32 56 o 5.842000       1.251000      ?             ?      
1 1 1 6  32 57 o -0.6343000     1.188000      ?             ?      
1 1 1 6  32 58 o -0.1303000     1.196000      ?             ?      
1 1 1 6  32 59 o 0.9967000      1.205000      ?             ?      
1 1 1 6  32 60 o 1.546000       1.228000      ?             ?      
1 1 1 6  32 61 o 5.137000       1.278000      ?             ?      
1 1 1 6  32 62 o -0.3716000     1.246000      ?             ?      
1 1 1 6  32 63 o -1.877000      1.261000      ?             ?      
1 1 1 6  32 64 o 1.357000       1.419000      ?             ?      
1 1 1 6  32 65 o 0.5753000      2.533000      ?             ?      
1 1 1 6  32 66 o -0.3485000     2.172000      ?             ?      
1 1 1 6  32 67 o 1.652000       1.889000      ?             ?      
1 1 1 6  33 0  o 3.445000       1.390000      318.6938      0.0    
1 1 1 6  33 1  o 13.68000       1.918000      182.8457      -88.5  
1 1 1 6  33 2  o 7.227000       1.347000      300.7986      -36.6  
1 1 1 6  33 3  o 7.149000       1.166000      138.4182      -179.9 
1 1 1 6  33 4  o 4.595000       0.9531000     7.069190      122.8  
1 1 1 6  33 5  o 1.619000       0.7710000     93.10580      60.3   
1 1 1 6  33 6  o 8.712000       0.8673000     328.3841      -177.3 
1 1 1 6  33 7  o 2.343000       0.8167000     156.2019      -146.3 
1 1 1 6  33 8  o -0.3645000     0.7237000     10.97465      38.9   
1 1 1 6  33 9  o 8.421000       0.8772000     302.4960      65.8   
1 1 1 6  33 10 o 3.786000       0.9092000     61.30664      -135.4 
1 1 1 6  33 11 o 5.266000       0.8681000     282.9859      43.5   
1 1 1 6  33 12 o 2.402000       0.9415000     89.61298      125.3  
1 1 1 6  33 13 o -0.3938000     1.042000      159.7735      9.5    
1 1 1 6  33 14 o 34.46000       1.577000      591.4380      141.4  
1 1 1 6  33 15 o 5.156000       1.107000      331.6146      -156.0 
1 1 1 6  33 16 o 5.735000       1.073000      228.2288      -41.5  
1 1 1 6  33 17 f 2.834000       1.383000      207.2829      -147.9 
1 1 1 6  33 18 o 4.831000       1.171000      177.5767      -18.6  
1 1 1 6  33 19 o 19.58000       1.873000      437.2271      -82.7  
1 1 1 6  33 20 o 1.191000       1.104000      148.1497      -136.8 
1 1 1 6  33 21 o 3.298000       0.9402000     230.6484      -116.5 
1 1 1 6  33 22 o 21.82000       1.480000      441.9349      87.2   
1 1 1 6  33 23 o -0.1053000E-01 0.8845000     42.46136      147.2  
1 1 1 6  33 24 o 0.9754000      0.9334000     100.3008      63.8   
1 1 1 6  33 25 o 3.720000       0.8419000     190.5194      -87.5  
1 1 1 6  33 26 o 0.1050000      0.6352000     21.67789      -136.7 
1 1 1 6  33 27 o 8.800000       0.7509000     201.7834      141.6  
1 1 1 6  33 28 o 2.724000       0.7031000     168.7541      9.0    
1 1 1 6  33 29 o 0.7036000      0.7047000     105.2789      20.3   
1 1 1 6  33 30 o 2.398000       0.7477000     65.88228      139.5  
1 1 1 6  33 31 o 14.18000       1.346000      458.8568      136.0  
1 1 1 6  33 32 o 9.077000       0.9845000     358.3522      49.3   
1 1 1 6  33 33 o -0.6046000     0.9893000     152.2873      41.4   
1 1 1 6  33 34 o 3.114000       0.9386000     212.9475      41.5   
1 1 1 6  33 35 o 1.392000       1.254000      71.63238      -85.8  
1 1 1 6  33 36 o -0.3137000     1.361000      134.1921      32.3   
1 1 1 6  33 37 o -1.196000      0.9259000     85.37559      -149.9 
1 1 1 6  33 38 o 9.868000       1.032000      364.9375      120.8  
1 1 1 6  33 39 o 8.878000       1.076000      310.7496      169.1  
1 1 1 6  33 40 o 9.863000       1.180000      306.9114      -43.8  
1 1 1 6  33 41 o 14.94000       1.253000      338.5690      65.1   
1 1 1 6  33 42 o 1.425000       1.168000      101.7238      82.8   
1 1 1 6  33 43 o 3.357000       1.240000      180.5636      28.7   
1 1 1 6  33 44 o 5.444000       1.684000      212.6616      -9.6   
1 1 1 6  33 45 o 2.253000       1.206000      192.4742      -144.8 
1 1 1 6  33 46 o 0.8036000E-01  2.167000      97.08690      80.8   
1 1 1 6  33 47 o 3.859000       1.290000      158.2375      -66.3  
1 1 1 6  33 48 o 0.2793000E-01  1.351000      112.1474      69.5   
1 1 1 6  33 49 o 4.140000       1.297000      ?             ?      
1 1 1 6  33 50 o 2.245000       1.812000      ?             ?      
1 1 1 6  33 51 o 4.639000       1.483000      ?             ?      
1 1 1 6  33 52 o 2.762000       1.448000      ?             ?      
1 1 1 6  33 53 o -0.7764000     1.297000      ?             ?      
1 1 1 6  33 54 o 3.395000       1.281000      ?             ?      
1 1 1 6  33 55 o 4.593000       1.191000      ?             ?      
1 1 1 6  33 56 o 0.8567000      1.174000      ?             ?      
1 1 1 6  33 57 o 0.7806000      1.172000      ?             ?      
1 1 1 6  33 58 o 0.3922000      1.174000      ?             ?      
1 1 1 6  33 59 o 2.318000       1.203000      ?             ?      
1 1 1 6  33 60 o 2.749000       1.208000      ?             ?      
1 1 1 6  33 61 o 1.052000       1.219000      ?             ?      
1 1 1 6  33 62 o 1.489000       1.250000      ?             ?      
1 1 1 6  33 63 o -0.5406000     1.379000      ?             ?      
1 1 1 6  33 64 o 0.6470000E-01  1.536000      ?             ?      
1 1 1 6  33 65 o 0.2981000      1.453000      ?             ?      
1 1 1 6  33 66 o 0.2481000      1.445000      ?             ?      
1 1 1 6  34 0  o 3.183000       1.267000      127.5093      -180.0 
1 1 1 6  34 1  o 2.264000       1.035000      310.9505      105.1  
1 1 1 6  34 2  o 8.113000       1.072000      327.7196      -148.3 
1 1 1 6  34 3  o 5.517000       0.8451000     208.6881      51.5   
1 1 1 6  34 4  o 3.156000       0.7826000     207.4171      -111.9 
1 1 1 6  34 5  o 8.904000       0.8465000     178.1974      27.9   
1 1 1 6  34 6  o -0.1016000     0.7217000     337.0062      -28.1  
1 1 1 6  34 7  o 10.75000       1.093000      408.3494      163.8  
1 1 1 6  34 8  o 2.345000       0.6978000     122.4606      82.0   
1 1 1 6  34 9  o 8.392000       0.8425000     336.3840      132.3  
1 1 1 6  34 10 o 13.03000       0.9385000     178.2767      -168.6 
1 1 1 6  34 11 o 5.701000       0.8496000     365.2223      -135.2 
1 1 1 6  34 12 o 9.602000       0.9792000     397.3658      60.3   
1 1 1 6  34 13 o 1.600000       0.9538000     302.3799      100.8  
1 1 1 6  34 14 o -0.4386000     1.022000      53.28489      -7.8   
1 1 1 6  34 15 o 10.94000       1.102000      333.7283      -90.3  
1 1 1 6  34 16 o 13.08000       1.520000      340.9877      30.4   
1 1 1 6  34 17 o 5.259000       1.399000      162.0854      -28.0  
1 1 1 6  34 18 o 15.88000       1.736000      365.5829      -42.2  
1 1 1 6  34 19 o 17.26000       1.715000      582.5197      -102.4 
1 1 1 6  34 20 o 0.8249000      1.030000      15.44702      -172.0 
1 1 1 6  34 21 o 1.212000       1.019000      172.0571      -79.4  
1 1 1 6  34 22 o 4.000000       1.054000      326.8629      -106.9 
1 1 1 6  34 23 o 7.867000       1.047000      251.8931      1.6    
1 1 1 6  34 24 o 12.83000       1.021000      400.8904      -37.0  
1 1 1 6  34 25 o 4.916000       0.8469000     133.7237      -72.9  
1 1 1 6  34 26 o -1.357000      0.9499000     153.9810      150.8  
1 1 1 6  34 27 o -1.639000      0.6382000     52.26555      23.8   
1 1 1 6  34 28 o 2.556000       0.6377000     159.1066      143.7  
1 1 1 6  34 29 o 7.746000       0.7362000     421.1791      -123.4 
1 1 1 6  34 30 o 4.301000       0.7413000     205.7955      -117.0 
1 1 1 6  34 31 o 0.8592000      0.7572000     115.3469      -101.8 
1 1 1 6  34 32 o 1.974000       0.8134000     113.1929      169.3  
1 1 1 6  34 33 o 2.396000       0.9763000     107.5086      -10.0  
1 1 1 6  34 34 o 3.167000       1.188000      259.1280      -56.6  
1 1 1 6  34 35 o 6.158000       1.157000      380.3093      177.1  
1 1 1 6  34 36 o -0.1049000     1.221000      36.36125      -19.0  
1 1 1 6  34 37 o 19.08000       1.317000      620.5678      -129.1 
1 1 1 6  34 38 o -0.1653000     0.9924000     131.9991      24.6   
1 1 1 6  34 39 o 12.35000       1.119000      473.0778      165.3  
1 1 1 6  34 40 o 2.857000       1.074000      134.7497      137.6  
1 1 1 6  34 41 o 4.451000       1.257000      194.8047      -167.4 
1 1 1 6  34 42 f -0.4248000     1.237000      175.1667      -81.0  
1 1 1 6  34 43 o 4.263000       1.377000      303.7983      106.1  
1 1 1 6  34 44 o -0.7659000     2.203000      160.5917      -38.3  
1 1 1 6  34 45 o 1.077000       1.372000      164.5294      125.6  
1 1 1 6  34 46 o 0.8508000      1.544000      136.7885      51.5   
1 1 1 6  34 47 o 3.108000       1.302000      171.3603      11.3   
1 1 1 6  34 48 o 4.085000       1.246000      ?             ?      
1 1 1 6  34 49 o 4.401000       1.290000      ?             ?      
1 1 1 6  34 50 o 1.402000       1.523000      ?             ?      
1 1 1 6  34 51 o -3.773000      1.592000      ?             ?      
1 1 1 6  34 52 o -0.6749000     1.615000      ?             ?      
1 1 1 6  34 53 o 2.706000       1.405000      ?             ?      
1 1 1 6  34 54 o 1.028000       1.273000      ?             ?      
1 1 1 6  34 55 o 0.5295000      1.148000      ?             ?      
1 1 1 6  34 56 o 1.386000       1.286000      ?             ?      
1 1 1 6  34 57 o 1.489000       1.167000      ?             ?      
1 1 1 6  34 58 o -1.613000      1.156000      ?             ?      
1 1 1 6  34 59 o 1.830000       1.178000      ?             ?      
1 1 1 6  34 60 o 2.175000       1.187000      ?             ?      
1 1 1 6  34 61 o 1.835000       1.217000      ?             ?      
1 1 1 6  34 62 o -0.4089000     1.209000      ?             ?      
1 1 1 6  34 63 o 4.154000       1.393000      ?             ?      
1 1 1 6  34 64 o 0.7426000E-01  1.382000      ?             ?      
1 1 1 6  34 65 o 0.5677000      1.299000      ?             ?      
1 1 1 6  34 66 o -2.016000      2.201000      ?             ?      
1 1 1 6  35 0  o 1.247000       1.411000      77.32328      -0.0   
1 1 1 6  35 1  o 1.139000       1.298000      41.39973      -176.8 
1 1 1 6  35 2  o 7.098000       0.9194000     469.1222      85.9   
1 1 1 6  35 3  o 9.000000       0.8500000     258.9743      -104.4 
1 1 1 6  35 4  o 5.786000       0.7704000     251.8964      156.1  
1 1 1 6  35 5  o 2.132000       0.7251000     46.93447      74.2   
1 1 1 6  35 6  o 23.92000       1.149000      573.3881      -115.4 
1 1 1 6  35 7  o 6.667000       0.7710000     381.0949      -31.3  
1 1 1 6  35 8  o 8.023000       0.7171000     333.0161      -108.4 
1 1 1 6  35 9  o 0.9597000      0.7730000     184.0226      49.2   
1 1 1 6  35 10 o 3.969000       0.6956000     262.7115      71.6   
1 1 1 6  35 11 o 1.279000       0.7606000     208.0978      166.2  
1 1 1 6  35 12 o 3.197000       0.9047000     347.3888      -143.8 
1 1 1 6  35 13 o 18.07000       1.222000      443.9971      90.0   
1 1 1 6  35 14 o 0.8410000      0.9823000     98.34975      94.0   
1 1 1 6  35 15 o 13.28000       1.174000      396.6247      -63.1  
1 1 1 6  35 16 o 4.054000       1.321000      345.0606      -26.3  
1 1 1 6  35 17 o 2.143000       1.086000      154.2423      -98.6  
1 1 1 6  35 18 o 10.86000       1.581000      472.6395      -64.6  
1 1 1 6  35 19 o 5.566000       1.070000      450.5003      -131.4 
1 1 1 6  35 20 o 3.698000       1.020000      123.8013      -2.1   
1 1 1 6  35 21 o 2.843000       1.022000      167.9801      22.4   
1 1 1 6  35 22 o 9.174000       1.087000      301.9586      26.5   
1 1 1 6  35 23 o 4.517000       0.8975000     347.8369      25.2   
1 1 1 6  35 24 o 10.46000       0.9809000     448.1100      64.8   
1 1 1 6  35 25 o 6.057000       1.105000      362.7604      54.5   
1 1 1 6  35 26 o 7.109000       0.8560000     471.1973      137.7  
1 1 1 6  35 27 f 3.778000       0.8694000     228.9749      131.2  
1 1 1 6  35 28 o 3.451000       0.6451000     315.5168      40.4   
1 1 1 6  35 29 o 1.884000       0.6187000     177.8429      55.8   
1 1 1 6  35 30 o -0.2607000     0.6530000     45.91441      50.7   
1 1 1 6  35 31 o 7.485000       0.7781000     310.5192      157.5  
1 1 1 6  35 32 o 5.810000       0.8037000     283.0228      52.8   
1 1 1 6  35 33 o 10.43000       1.153000      439.0989      2.1    
1 1 1 6  35 34 o 8.114000       1.310000      458.5614      -4.9   
1 1 1 6  35 35 o 5.809000       1.065000      172.9214      -40.9  
1 1 1 6  35 36 o 4.330000       1.049000      316.6905      85.2   
1 1 1 6  35 37 o 2.316000       1.246000      199.0853      48.8   
1 1 1 6  35 38 o 4.486000       1.211000      371.4830      -172.0 
1 1 1 6  35 39 o 11.77000       1.478000      545.9858      166.2  
1 1 1 6  35 40 o 2.023000       1.278000      354.2087      -32.1  
1 1 1 6  35 41 o 20.64000       1.745000      624.8820      126.5  
1 1 1 6  35 42 o 6.689000       1.573000      330.8468      -166.0 
1 1 1 6  35 43 o 6.790000       1.290000      393.4805      78.7   
1 1 1 6  35 44 o 3.485000       1.264000      197.6632      113.8  
1 1 1 6  35 45 o 2.047000       1.266000      199.4075      -161.3 
1 1 1 6  35 46 o 1.706000       1.201000      231.5976      53.5   
1 1 1 6  35 47 o 3.688000       1.209000      ?             ?      
1 1 1 6  35 48 o -0.1095000     1.248000      ?             ?      
1 1 1 6  35 49 o 3.765000       1.390000      ?             ?      
1 1 1 6  35 50 o 14.18000       1.442000      ?             ?      
1 1 1 6  35 51 o 1.107000       1.400000      ?             ?      
1 1 1 6  35 52 o 1.067000       1.486000      ?             ?      
1 1 1 6  35 53 o 3.316000       2.077000      ?             ?      
1 1 1 6  35 54 o 3.667000       1.582000      ?             ?      
1 1 1 6  35 55 o 6.415000       1.196000      ?             ?      
1 1 1 6  35 56 o 3.384000       1.163000      ?             ?      
1 1 1 6  35 57 o 0.4567000      1.144000      ?             ?      
1 1 1 6  35 58 o 1.288000       1.148000      ?             ?      
1 1 1 6  35 59 o -0.2940000     1.154000      ?             ?      
1 1 1 6  35 60 o 0.5534000      1.166000      ?             ?      
1 1 1 6  35 61 o 0.1243000E-01  1.177000      ?             ?      
1 1 1 6  35 62 o 3.224000       1.347000      ?             ?      
1 1 1 6  35 63 o 1.158000       1.485000      ?             ?      
1 1 1 6  35 64 o 4.774000       1.350000      ?             ?      
1 1 1 6  35 65 o 2.633000       1.288000      ?             ?      
1 1 1 6  36 0  o 0.7308000      1.398000      189.8904      180.0  
1 1 1 6  36 1  o 3.859000       0.8887000     147.7332      -131.5 
1 1 1 6  36 2  o 0.4538000      0.8206000     30.79174      174.8  
1 1 1 6  36 3  o 8.531000       0.9136000     458.0080      -168.7 
1 1 1 6  36 4  o 5.676000       0.8040000     400.5372      -87.1  
1 1 1 6  36 5  o 12.29000       0.7865000     340.8915      41.8   
1 1 1 6  36 6  o 7.439000       0.7428000     422.7251      53.2   
1 1 1 6  36 7  o 2.119000       0.6988000     182.7460      -113.6 
1 1 1 6  36 8  o 37.71000       1.165000      698.1205      -168.8 
1 1 1 6  36 9  o 5.022000       0.6927000     127.0055      -39.0  
1 1 1 6  36 10 o 8.656000       0.8652000     243.9144      -108.0 
1 1 1 6  36 11 o 8.741000       0.7971000     552.5156      15.5   
1 1 1 6  36 12 o 13.66000       0.9751000     697.2982      96.6   
1 1 1 6  36 13 o 3.698000       0.9965000     357.7982      161.0  
1 1 1 6  36 14 o 8.173000       1.029000      371.2108      11.9   
1 1 1 6  36 15 o 1.756000       1.251000      193.7917      21.1   
1 1 1 6  36 16 o 4.208000       2.447000      384.7542      142.0  
1 1 1 6  36 17 o 3.113000       1.418000      290.2705      -27.6  
1 1 1 6  36 18 o 9.409000       1.485000      445.1793      -35.6  
1 1 1 6  36 19 f 5.810000       1.055000      295.5473      106.7  
1 1 1 6  36 20 o 15.99000       1.181000      509.2256      68.9   
1 1 1 6  36 21 o 4.091000       1.046000      385.6880      20.7   
1 1 1 6  36 22 o 4.765000       1.042000      413.2300      78.6   
1 1 1 6  36 23 o 15.42000       1.170000      500.0973      -142.6 
1 1 1 6  36 24 o 27.58000       1.385000      727.2330      171.1  
1 1 1 6  36 25 o 2.600000       0.8849000     203.5630      -129.5 
1 1 1 6  36 26 o 4.919000       0.8755000     208.9799      -160.0 
1 1 1 6  36 27 o 3.489000       0.8519000     310.2453      -148.3 
1 1 1 6  36 28 o 10.89000       0.9932000     493.1291      169.1  
1 1 1 6  36 29 o 0.7808000      0.6610000     153.8294      -18.9  
1 1 1 6  36 30 o 9.035000       0.7713000     349.6007      -168.8 
1 1 1 6  36 31 o 1.664000       0.6584000     98.77287      -161.8 
1 1 1 6  36 32 o 6.999000       0.7631000     377.5139      37.3   
1 1 1 6  36 33 o 7.739000       1.035000      399.7569      13.2   
1 1 1 6  36 34 o 20.65000       1.384000      679.0264      137.2  
1 1 1 6  36 35 o 15.31000       1.141000      533.3578      -111.3 
1 1 1 6  36 36 f 0.2650000      0.9336000     89.11419      -19.3  
1 1 1 6  36 37 o 25.16000       1.459000      724.9288      -128.8 
1 1 1 6  36 38 o -1.326000      1.269000      103.3354      105.8  
1 1 1 6  36 39 o 19.04000       1.787000      674.2278      154.8  
1 1 1 6  36 40 o 13.17000       1.314000      483.7047      -108.4 
1 1 1 6  36 41 o 16.86000       1.355000      593.7376      -95.0  
1 1 1 6  36 42 o 9.908000       1.289000      463.0409      -166.7 
1 1 1 6  36 43 o 0.2261000      1.144000      210.0592      132.8  
1 1 1 6  36 44 o 5.810000       1.135000      311.3641      -70.4  
1 1 1 6  36 45 o 3.401000       1.116000      90.31191      110.6  
1 1 1 6  36 46 o 2.007000       1.113000      ?             ?      
1 1 1 6  36 47 o 1.695000       1.121000      ?             ?      
1 1 1 6  36 48 o 5.458000       1.248000      ?             ?      
1 1 1 6  36 49 o 2.045000       1.244000      ?             ?      
1 1 1 6  36 50 o -0.2825000     1.188000      ?             ?      
1 1 1 6  36 51 o -0.7361000     1.174000      ?             ?      
1 1 1 6  36 52 o -1.244000      1.435000      ?             ?      
1 1 1 6  36 53 o 2.203000       1.346000      ?             ?      
1 1 1 6  36 54 o 0.4087000      1.524000      ?             ?      
1 1 1 6  36 55 o 1.444000       1.334000      ?             ?      
1 1 1 6  36 56 o 2.802000       1.219000      ?             ?      
1 1 1 6  36 57 o 1.199000       1.202000      ?             ?      
1 1 1 6  36 58 o 3.614000       1.176000      ?             ?      
1 1 1 6  36 59 o -0.1033000     1.159000      ?             ?      
1 1 1 6  36 60 o -1.092000      1.162000      ?             ?      
1 1 1 6  36 61 o 0.1707000      1.247000      ?             ?      
1 1 1 6  36 62 o 2.640000       1.350000      ?             ?      
1 1 1 6  36 63 o 4.288000       1.403000      ?             ?      
1 1 1 6  36 64 o 0.3495000      1.234000      ?             ?      
1 1 1 6  37 0  o 27.38000       1.675000      530.7596      0.0    
1 1 1 6  37 1  o 11.66000       0.8708000     557.4708      -40.2  
1 1 1 6  37 2  o 3.536000       0.8323000     276.7901      -36.3  
1 1 1 6  37 3  o 3.327000       0.8815000     143.7217      -85.6  
1 1 1 6  37 4  o 7.186000       0.8183000     200.1702      -52.5  
1 1 1 6  37 5  o 1.373000       0.7197000     145.8684      -21.1  
1 1 1 6  37 6  o 7.738000       0.7486000     524.0905      -60.4  
1 1 1 6  37 7  f 38.55000       1.144000      805.5483      -152.5 
1 1 1 6  37 8  o 21.27000       0.8725000     607.9233      56.5   
1 1 1 6  37 9  o 33.40000       1.011000      928.4855      -177.9 
1 1 1 6  37 10 o 2.738000       0.7437000     150.2866      31.3   
1 1 1 6  37 11 o 11.60000       0.8226000     623.8083      -112.7 
1 1 1 6  37 12 o 4.346000       0.9095000     263.7327      -155.5 
1 1 1 6  37 13 o 14.44000       1.223000      436.6428      114.7  
1 1 1 6  37 14 o 9.053000       1.081000      466.0543      -104.5 
1 1 1 6  37 15 o 16.80000       1.521000      664.5466      -50.7  
1 1 1 6  37 16 o 1.513000       1.066000      195.3012      -110.1 
1 1 1 6  37 17 o 5.013000       1.441000      274.4984      -38.6  
1 1 1 6  37 18 o 19.57000       1.224000      664.2494      -166.0 
1 1 1 6  37 19 o 8.127000       1.091000      245.3215      52.9   
1 1 1 6  37 20 o 15.34000       1.177000      550.9556      -108.5 
1 1 1 6  37 21 o 24.95000       1.305000      729.4103      -172.8 
1 1 1 6  37 22 o 7.048000       1.055000      407.0769      -29.8  
1 1 1 6  37 23 o 2.999000       1.036000      186.4256      -143.3 
1 1 1 6  37 24 o 8.175000       1.111000      625.4868      116.9  
1 1 1 6  37 25 o 2.496000       1.082000      301.3314      -28.3  
1 1 1 6  37 26 o 3.463000       0.8657000     188.2633      -110.8 
1 1 1 6  37 27 o 5.339000       0.8905000     229.7812      -101.1 
1 1 1 6  37 28 o 4.523000       0.8732000     334.3214      4.5    
1 1 1 6  37 29 o 7.015000       0.9339000     377.4979      -108.8 
1 1 1 6  37 30 o 1.295000       0.8297000     155.1784      151.1  
1 1 1 6  37 31 o 16.19000       0.8949000     561.9547      82.6   
1 1 1 6  37 32 o 0.7168000      0.7223000     55.03844      175.0  
1 1 1 6  37 33 o 7.777000       0.8573000     433.5646      -16.1  
1 1 1 6  37 34 o 6.783000       1.917000      315.3908      -38.1  
1 1 1 6  37 35 o 6.486000       1.534000      303.3709      169.2  
1 1 1 6  37 36 o 18.96000       1.232000      751.1386      -20.1  
1 1 1 6  37 37 o 13.38000       1.532000      532.2009      -170.1 
1 1 1 6  37 38 o 8.114000       1.230000      449.6331      -157.0 
1 1 1 6  37 39 o 7.617000       1.718000      460.8053      36.5   
1 1 1 6  37 40 o -1.004000      1.253000      163.1229      136.0  
1 1 1 6  37 41 o 1.734000       1.104000      156.3369      -11.6  
1 1 1 6  37 42 o 0.6426000      1.129000      79.36016      152.8  
1 1 1 6  37 43 o 5.902000       1.143000      272.0345      95.1   
1 1 1 6  37 44 o 1.592000       1.112000      160.3487      130.5  
1 1 1 6  37 45 o 0.8601000      1.103000      ?             ?      
1 1 1 6  37 46 o 0.3834000      1.084000      ?             ?      
1 1 1 6  37 47 o 7.102000       1.225000      ?             ?      
1 1 1 6  37 48 o 5.462000       1.379000      ?             ?      
1 1 1 6  37 49 o 8.793000       1.278000      ?             ?      
1 1 1 6  37 50 o 8.082000       1.149000      ?             ?      
1 1 1 6  37 51 o 4.545000       1.125000      ?             ?      
1 1 1 6  37 52 o 1.899000       1.296000      ?             ?      
1 1 1 6  37 53 o 1.009000       1.465000      ?             ?      
1 1 1 6  37 54 o 10.18000       2.229000      ?             ?      
1 1 1 6  37 55 o 4.462000       1.551000      ?             ?      
1 1 1 6  37 56 o -0.8138000     1.535000      ?             ?      
1 1 1 6  37 57 o 4.611000       1.275000      ?             ?      
1 1 1 6  37 58 o 2.747000       1.234000      ?             ?      
1 1 1 6  37 59 o 0.9927000E-01  1.222000      ?             ?      
1 1 1 6  37 60 o 1.169000       1.241000      ?             ?      
1 1 1 6  37 61 o -1.140000      1.309000      ?             ?      
1 1 1 6  37 62 o 1.504000       1.459000      ?             ?      
1 1 1 6  37 63 o 1.851000       1.305000      ?             ?      
1 1 1 6  37 64 o 0.1171000      1.382000      ?             ?      
1 1 1 6  38 0  o 2.724000       1.255000      364.8235      0.0    
1 1 1 6  38 1  o 8.201000       0.8842000     490.2482      -175.6 
1 1 1 6  38 2  o 21.53000       1.067000      668.0445      -13.2  
1 1 1 6  38 3  o 13.09000       0.9147000     369.6773      76.5   
1 1 1 6  38 4  o 1.464000       0.8619000     20.28034      154.1  
1 1 1 6  38 5  o 18.07000       0.9231000     615.6246      -39.4  
1 1 1 6  38 6  o 5.126000       0.7326000     305.2369      -93.8  
1 1 1 6  38 7  o -1.914000      0.8091000     210.1212      -83.5  
1 1 1 6  38 8  o 44.19000       1.285000      891.2260      -68.4  
1 1 1 6  38 9  o 27.30000       0.9493000     848.5751      44.4   
1 1 1 6  38 10 o 18.81000       0.8383000     489.1945      -24.4  
1 1 1 6  38 11 o 32.91000       1.112000      794.4843      -175.0 
1 1 1 6  38 12 o 65.50000       1.979000      1113.682      -125.1 
1 1 1 6  38 13 o 13.84000       1.134000      557.4500      -23.7  
1 1 1 6  38 14 o 8.592000       1.407000      479.7251      -101.0 
1 1 1 6  38 15 o 1.050000       1.374000      170.8295      -88.9  
1 1 1 6  38 16 o 3.398000       1.457000      235.2067      109.4  
1 1 1 6  38 17 o 10.20000       1.485000      478.6486      -53.3  
1 1 1 6  38 18 o -0.5432000     1.015000      236.0951      168.4  
1 1 1 6  38 19 o 6.666000       1.069000      251.1264      -72.5  
1 1 1 6  38 20 o 10.84000       1.131000      375.4279      22.2   
1 1 1 6  38 21 o 3.205000       1.062000      230.5500      -85.4  
1 1 1 6  38 22 o 25.62000       1.316000      829.5112      -127.9 
1 1 1 6  38 23 o 12.98000       1.152000      554.5077      -157.5 
1 1 1 6  38 24 o 8.470000       1.125000      387.0307      111.0  
1 1 1 6  38 25 o 13.62000       1.229000      511.6816      -144.3 
1 1 1 6  38 26 o 24.35000       1.403000      595.6900      118.9  
1 1 1 6  38 27 o 8.078000       0.9406000     384.0057      -67.4  
1 1 1 6  38 28 o 2.717000       0.8992000     206.6875      -29.8  
1 1 1 6  38 29 o 1.317000       0.8841000     198.5179      -18.6  
1 1 1 6  38 30 o 19.71000       1.209000      623.5491      179.3  
1 1 1 6  38 31 o 4.632000       0.9508000     391.1884      75.2   
1 1 1 6  38 32 o 1.394000       1.021000      140.8381      66.6   
1 1 1 6  38 33 o 19.50000       1.554000      573.4993      10.3   
1 1 1 6  38 34 o 4.190000       1.396000      328.1751      50.0   
1 1 1 6  38 35 o 21.30000       1.680000      727.0255      -32.1  
1 1 1 6  38 36 o 1.838000       1.178000      255.1235      97.8   
1 1 1 6  38 37 o 11.13000       1.201000      545.1234      84.5   
1 1 1 6  38 38 o 14.60000       1.310000      523.0308      -178.7 
1 1 1 6  38 39 o 5.467000       1.178000      313.8332      161.6  
1 1 1 6  38 40 o 6.916000       1.398000      344.9579      -6.7   
1 1 1 6  38 41 o 6.953000       1.278000      315.0972      -106.5 
1 1 1 6  38 42 o 16.82000       1.221000      606.4536      111.1  
1 1 1 6  38 43 o 2.044000       1.124000      205.5648      1.6    
1 1 1 6  38 44 o 0.4509000      1.103000      ?             ?      
1 1 1 6  38 45 o 6.868000       1.113000      ?             ?      
1 1 1 6  38 46 o -1.608000      1.078000      ?             ?      
1 1 1 6  38 47 o 17.23000       1.358000      ?             ?      
1 1 1 6  38 48 o 17.60000       1.359000      ?             ?      
1 1 1 6  38 49 o 2.015000       1.102000      ?             ?      
1 1 1 6  38 50 o 1.499000       1.090000      ?             ?      
1 1 1 6  38 51 o 5.862000       1.127000      ?             ?      
1 1 1 6  38 52 f 0.8303000      1.083000      ?             ?      
1 1 1 6  38 53 o 2.277000       1.238000      ?             ?      
1 1 1 6  38 54 o 9.210000       1.421000      ?             ?      
1 1 1 6  38 55 o 0.6042000      1.597000      ?             ?      
1 1 1 6  38 56 o 3.032000       1.631000      ?             ?      
1 1 1 6  38 57 o 5.590000       1.404000      ?             ?      
1 1 1 6  38 58 o 5.336000       1.247000      ?             ?      
1 1 1 6  38 59 o 1.691000       1.279000      ?             ?      
1 1 1 6  38 60 o 1.001000       1.300000      ?             ?      
1 1 1 6  38 61 o 2.142000       1.470000      ?             ?      
1 1 1 6  38 62 o 3.710000       1.482000      ?             ?      
1 1 1 6  38 63 f 1.866000       1.310000      ?             ?      
1 1 1 6  39 0  o 3.070000       1.211000      308.7424      -0.0   
1 1 1 6  39 1  o -0.2273000     0.8280000     151.0714      85.3   
1 1 1 6  39 2  o 2.492000       0.7850000     247.5406      103.2  
1 1 1 6  39 3  o 17.05000       0.9524000     579.6215      84.9   
1 1 1 6  39 4  o 2.170000       0.8805000     175.8792      -8.9   
1 1 1 6  39 5  o 30.37000       1.188000      818.8185      -68.7  
1 1 1 6  39 6  o 0.7394000      0.7178000     199.2592      22.3   
1 1 1 6  39 7  o 32.12000       1.038000      776.6741      143.4  
1 1 1 6  39 8  o 47.81000       1.264000      1052.900      77.4   
1 1 1 6  39 9  o 2.562000       0.6654000     155.2444      -161.4 
1 1 1 6  39 10 o 19.07000       0.8407000     636.7604      -22.3  
1 1 1 6  39 11 o 0.4041000      0.7829000     62.46144      -108.2 
1 1 1 6  39 12 o 2.587000       0.9555000     162.6834      26.1   
1 1 1 6  39 13 o 36.53000       1.499000      954.4628      13.3   
1 1 1 6  39 14 o 1.329000       1.365000      122.2492      -111.9 
1 1 1 6  39 15 o 13.16000       1.199000      670.8708      -27.8  
1 1 1 6  39 16 o 3.407000       1.431000      330.6382      137.5  
1 1 1 6  39 17 f 19.97000       1.250000      641.3000      -112.4 
1 1 1 6  39 18 o 35.51000       1.498000      857.0632      -16.0  
1 1 1 6  39 19 o 12.97000       1.146000      491.9055      -23.4  
1 1 1 6  39 20 o 26.59000       1.355000      802.2792      -106.4 
1 1 1 6  39 21 o 5.500000       1.081000      523.4896      -170.6 
1 1 1 6  39 22 o 7.130000       1.111000      263.9980      -105.6 
1 1 1 6  39 23 o 9.497000       1.141000      348.1202      -118.3 
1 1 1 6  39 24 o 7.932000       1.151000      310.1245      -112.0 
1 1 1 6  39 25 o 15.04000       1.275000      559.3684      -157.8 
1 1 1 6  39 26 o 26.73000       1.477000      667.2534      20.3   
1 1 1 6  39 27 o 15.08000       1.328000      598.2367      40.1   
1 1 1 6  39 28 o 16.55000       1.053000      631.7662      -63.3  
1 1 1 6  39 29 f 7.189000       0.9737000     498.1552      -163.7 
1 1 1 6  39 30 o 7.172000       0.9790000     391.0474      30.3   
1 1 1 6  39 31 o -1.563000      1.896000      190.3428      155.7  
1 1 1 6  39 32 o 5.353000       1.907000      483.1939      109.1  
1 1 1 6  39 33 o 9.346000       0.8858000     481.1731      69.9   
1 1 1 6  39 34 o 11.58000       0.9214000     459.3316      173.8  
1 1 1 6  39 35 o 23.91000       1.152000      630.5618      145.6  
1 1 1 6  39 36 o -0.3022000E-01 0.9576000     181.3755      -141.9 
1 1 1 6  39 37 o 0.5592000E-01  1.112000      99.91199      -152.5 
1 1 1 6  39 38 o 6.245000       1.075000      484.1623      126.3  
1 1 1 6  39 39 o 1.728000       0.9579000     144.0351      -40.9  
1 1 1 6  39 40 o 2.072000       1.153000      282.5558      120.4  
1 1 1 6  39 41 o 7.565000       1.375000      379.3676      175.0  
1 1 1 6  39 42 o 3.368000       1.245000      409.9306      150.4  
1 1 1 6  39 43 o 3.918000       1.086000      ?             ?      
1 1 1 6  39 44 o 1.865000       1.074000      ?             ?      
1 1 1 6  39 45 o 4.148000       1.090000      ?             ?      
1 1 1 6  39 46 o 14.01000       1.257000      ?             ?      
1 1 1 6  39 47 o -1.698000      1.277000      ?             ?      
1 1 1 6  39 48 o 12.43000       1.231000      ?             ?      
1 1 1 6  39 49 o 5.236000       1.128000      ?             ?      
1 1 1 6  39 50 o 2.644000       1.086000      ?             ?      
1 1 1 6  39 51 o 1.645000       1.079000      ?             ?      
1 1 1 6  39 52 o 3.010000       1.088000      ?             ?      
1 1 1 6  39 53 o 0.1421000      1.067000      ?             ?      
1 1 1 6  39 54 o 11.08000       1.439000      ?             ?      
1 1 1 6  39 55 o -1.159000      1.210000      ?             ?      
1 1 1 6  39 56 o 7.074000       1.323000      ?             ?      
1 1 1 6  39 57 o 8.173000       1.504000      ?             ?      
1 1 1 6  39 58 o 7.613000       1.232000      ?             ?      
1 1 1 6  39 59 o 5.042000       1.276000      ?             ?      
1 1 1 6  39 60 o -1.862000      1.404000      ?             ?      
1 1 1 6  39 61 o 4.655000       1.377000      ?             ?      
1 1 1 6  39 62 o 4.796000       1.307000      ?             ?      
1 1 1 6  40 0  o 70.51000       2.401000      1162.375      180.0  
1 1 1 6  40 1  o 4.470000       0.8137000     326.5428      -133.8 
1 1 1 6  40 2  o 3.736000       0.7998000     402.1162      64.1   
1 1 1 6  40 3  o 18.79000       0.9863000     486.1842      -47.9  
1 1 1 6  40 4  o 10.96000       1.075000      366.2726      113.7  
1 1 1 6  40 5  o 0.7129000      0.8185000     111.8517      62.8   
1 1 1 6  40 6  o 17.56000       0.8642000     659.6302      9.8    
1 1 1 6  40 7  o 8.465000       0.7376000     465.0320      85.8   
1 1 1 6  40 8  o 18.87000       0.8294000     559.5618      -90.2  
1 1 1 6  40 9  o 18.06000       0.8243000     680.0071      163.2  
1 1 1 6  40 10 o 14.80000       0.7625000     555.9521      -151.2 
1 1 1 6  40 11 o 3.431000       0.7716000     334.0013      81.1   
1 1 1 6  40 12 o 4.370000       0.8773000     502.2224      -162.0 
1 1 1 6  40 13 o 6.198000       1.384000      431.3936      155.8  
1 1 1 6  40 14 o 10.53000       1.556000      536.6374      -47.3  
1 1 1 6  40 15 o 15.04000       1.651000      459.3027      -162.5 
1 1 1 6  40 16 o 5.546000       1.462000      257.5252      111.7  
1 1 1 6  40 17 o 2.390000       1.032000      169.5496      172.6  
1 1 1 6  40 18 o 1.468000       1.048000      191.4129      6.5    
1 1 1 6  40 19 o 37.68000       1.547000      958.8154      29.6   
1 1 1 6  40 20 o 30.73000       1.469000      787.0989      -87.8  
1 1 1 6  40 21 o 15.08000       1.225000      640.2776      -87.1  
1 1 1 6  40 22 o 9.482000       1.174000      618.7856      130.3  
1 1 1 6  40 23 o 16.87000       1.269000      582.2744      -90.2  
1 1 1 6  40 24 o 18.11000       1.292000      594.8373      133.3  
1 1 1 6  40 25 o 9.508000       1.235000      478.2581      160.9  
1 1 1 6  40 26 o 19.88000       1.399000      558.8179      4.3    
1 1 1 6  40 27 o 15.81000       1.355000      545.7869      3.7    
1 1 1 6  40 28 o -0.8410000     1.253000      68.70058      -53.5  
1 1 1 6  40 29 o 4.163000       1.429000      448.5001      88.2   
1 1 1 6  40 30 o 10.96000       1.295000      457.1175      168.5  
1 1 1 6  40 31 o 2.530000       1.930000      274.0428      -49.4  
1 1 1 6  40 32 o 1.596000       1.139000      212.7216      -134.8 
1 1 1 6  40 33 o 4.303000       0.9888000     154.2340      122.9  
1 1 1 6  40 34 o 8.441000       0.6824000     556.3577      -140.1 
1 1 1 6  40 35 o 2.920000       0.6981000     371.2986      -30.1  
1 1 1 6  40 36 o 0.9485000      0.7413000     183.6175      -157.7 
1 1 1 6  40 37 o 4.427000       1.039000      223.8803      -175.5 
1 1 1 6  40 38 o 2.137000       1.085000      196.8139      72.5   
1 1 1 6  40 39 o 1.887000       1.026000      271.3865      -153.7 
1 1 1 6  40 40 o 1.171000       0.9430000     191.7690      -116.6 
1 1 1 6  40 41 o 1.069000       1.150000      66.01680      36.5   
1 1 1 6  40 42 o 7.935000       1.374000      ?             ?      
1 1 1 6  40 43 o 10.48000       1.268000      ?             ?      
1 1 1 6  40 44 o 0.5604000      1.021000      ?             ?      
1 1 1 6  40 45 o 1.734000       1.201000      ?             ?      
1 1 1 6  40 46 o 1.479000       1.114000      ?             ?      
1 1 1 6  40 47 o 13.81000       1.321000      ?             ?      
1 1 1 6  40 48 o 18.13000       1.232000      ?             ?      
1 1 1 6  40 49 o 3.546000       1.075000      ?             ?      
1 1 1 6  40 50 o 4.146000       1.094000      ?             ?      
1 1 1 6  40 51 o -1.681000      1.068000      ?             ?      
1 1 1 6  40 52 o -0.8231000     1.063000      ?             ?      
1 1 1 6  40 53 o 2.122000       1.079000      ?             ?      
1 1 1 6  40 54 o 0.1426000      1.216000      ?             ?      
1 1 1 6  40 55 o -2.011000      1.346000      ?             ?      
1 1 1 6  40 56 o 2.759000       1.253000      ?             ?      
1 1 1 6  40 57 o 5.424000       1.305000      ?             ?      
1 1 1 6  40 58 o -1.266000      1.406000      ?             ?      
1 1 1 6  40 59 o 0.7071000      1.202000      ?             ?      
1 1 1 6  40 60 o 1.346000       1.729000      ?             ?      
1 1 1 6  40 61 o -0.4812000     1.760000      ?             ?      
1 1 1 6  41 0  o 6.433000       1.115000      368.0191      -0.0   
1 1 1 6  41 1  o 5.431000       0.8223000     238.9694      -43.3  
1 1 1 6  41 2  o 10.50000       0.9252000     491.5349      118.1  
1 1 1 6  41 3  o 10.86000       0.8682000     352.9756      -102.5 
1 1 1 6  41 4  o -0.1709000     0.8306000     147.7240      32.8   
1 1 1 6  41 5  o 2.145000       0.8932000     276.7211      57.6   
1 1 1 6  41 6  o 22.96000       0.9908000     798.6725      84.6   
1 1 1 6  41 7  o 9.113000       0.7324000     412.9585      147.4  
1 1 1 6  41 8  o 4.223000       0.6944000     397.8311      -78.9  
1 1 1 6  41 9  o 34.47000       1.060000      950.9702      -49.4  
1 1 1 6  41 10 o -0.7130000     0.7665000     314.6600      160.2  
1 1 1 6  41 11 o 19.48000       0.9458000     529.2524      -18.3  
1 1 1 6  41 12 o 2.903000       0.7253000     125.9057      78.9   
1 1 1 6  41 13 o 12.35000       1.510000      562.6130      54.3   
1 1 1 6  41 14 o 2.697000       1.176000      322.3159      -163.3 
1 1 1 6  41 15 o -0.4219000     1.474000      21.66645      -109.5 
1 1 1 6  41 16 o 9.959000       1.158000      585.2667      7.0    
1 1 1 6  41 17 o 9.305000       1.114000      469.8514      -96.5  
1 1 1 6  41 18 o 3.491000       1.068000      303.9442      7.6    
1 1 1 6  41 19 o 5.060000       1.083000      250.7609      8.0    
1 1 1 6  41 20 o 6.757000       1.137000      433.3382      -104.2 
1 1 1 6  41 21 o 0.4314000      1.084000      152.1253      -179.7 
1 1 1 6  41 22 o 0.4372000      1.103000      273.0633      79.9   
1 1 1 6  41 23 o 22.98000       1.376000      817.5184      -132.9 
1 1 1 6  41 24 o 1.363000       1.151000      273.3821      -38.1  
1 1 1 6  41 25 o 7.356000       1.211000      275.5138      117.7  
1 1 1 6  41 26 o 27.14000       1.921000      697.7363      40.8   
1 1 1 6  41 27 o 2.972000       1.646000      350.9282      127.3  
1 1 1 6  41 28 o 24.46000       1.555000      789.5371      -32.1  
1 1 1 6  41 29 o 12.58000       1.853000      411.9086      -153.8 
1 1 1 6  41 30 o 7.282000       1.899000      419.5128      48.2   
1 1 1 6  41 31 o 3.782000       1.133000      302.2621      132.7  
1 1 1 6  41 32 o 15.54000       1.213000      629.0593      61.4   
1 1 1 6  41 33 o 7.519000       1.002000      480.2654      -64.2  
1 1 1 6  41 34 o 0.8159000      0.9871000     180.1382      -132.4 
1 1 1 6  41 35 o 1.533000       0.9489000     293.5045      -28.7  
1 1 1 6  41 36 o 22.11000       1.862000      693.5319      62.1   
1 1 1 6  41 37 o 0.8027000      0.7414000     79.78466      36.5   
1 1 1 6  41 38 o 4.517000       0.9214000     418.7018      -79.7  
1 1 1 6  41 39 o 5.014000       1.094000      415.8752      -120.8 
1 1 1 6  41 40 o -0.2017000     1.003000      ?             ?      
1 1 1 6  41 41 o 20.46000       1.227000      ?             ?      
1 1 1 6  41 42 o 13.58000       1.237000      ?             ?      
1 1 1 6  41 43 o 5.762000       1.316000      ?             ?      
1 1 1 6  41 44 o 0.2607000E-01  1.140000      ?             ?      
1 1 1 6  41 45 o 5.570000       1.082000      ?             ?      
1 1 1 6  41 46 o 1.716000       1.130000      ?             ?      
1 1 1 6  41 47 o 2.707000       1.058000      ?             ?      
1 1 1 6  41 48 o 2.124000       1.043000      ?             ?      
1 1 1 6  41 49 o 1.960000       1.049000      ?             ?      
1 1 1 6  41 50 o 2.849000       1.069000      ?             ?      
1 1 1 6  41 51 o 2.285000       1.073000      ?             ?      
1 1 1 6  41 52 o 5.174000       1.091000      ?             ?      
1 1 1 6  41 53 o 0.9854000      1.089000      ?             ?      
1 1 1 6  41 54 o 0.7029000      1.125000      ?             ?      
1 1 1 6  41 56 o 1.176000       1.367000      ?             ?      
1 1 1 6  41 57 o 1.043000       1.553000      ?             ?      
1 1 1 6  41 58 o 1.517000       1.438000      ?             ?      
1 1 1 6  41 59 o -2.566000      1.441000      ?             ?      
1 1 1 6  41 60 o 1.037000       1.282000      ?             ?      
1 1 1 6  42 0  o 26.96000       1.440000      750.2417      180.0  
1 1 1 6  42 1  o 1.616000       0.8227000     128.8623      97.3   
1 1 1 6  42 2  o 0.4884000      0.8714000     178.9485      112.8  
1 1 1 6  42 3  o 19.65000       0.9766000     691.7711      174.9  
1 1 1 6  42 4  o 20.33000       1.006000      736.9733      79.2   
1 1 1 6  42 5  o 7.162000       0.9372000     330.4537      56.7   
1 1 1 6  42 6  o 22.72000       1.006000      691.3281      55.8   
1 1 1 6  42 7  o 6.233000       0.7196000     282.3645      67.7   
1 1 1 6  42 8  o 1.776000       0.6767000     271.6432      -17.4  
1 1 1 6  42 9  o 21.58000       0.8937000     639.3234      84.2   
1 1 1 6  42 10 o 28.06000       1.060000      790.5072      70.4   
1 1 1 6  42 11 o 27.23000       1.327000      767.7905      -160.7 
1 1 1 6  42 12 o 10.53000       0.8669000     430.1976      174.9  
1 1 1 6  42 13 o 14.95000       2.950000      603.5562      -26.2  
1 1 1 6  42 14 o 19.90000       1.822000      678.8160      -87.5  
1 1 1 6  42 15 o 7.521000       1.578000      396.2231      172.2  
1 1 1 6  42 16 o 19.45000       1.372000      613.9680      60.8   
1 1 1 6  42 17 o 1.069000       1.096000      66.24264      170.8  
1 1 1 6  42 18 o 9.152000       1.154000      457.7662      -84.0  
1 1 1 6  42 19 o 1.891000       1.107000      226.8629      29.3   
1 1 1 6  42 20 o 0.3750000      1.102000      308.7033      -100.0 
1 1 1 6  42 21 o 4.644000       1.499000      244.7181      37.8   
1 1 1 6  42 22 o 24.29000       1.756000      606.6862      132.3  
1 1 1 6  42 23 o -1.096000      1.482000      51.10339      -177.9 
1 1 1 6  42 24 o 0.6140000      1.520000      192.2328      -94.5  
1 1 1 6  42 25 o 1.991000       1.569000      181.2323      48.1   
1 1 1 6  42 26 o 2.447000       1.651000      210.8623      124.0  
1 1 1 6  42 27 o 7.567000       1.328000      419.9096      61.9   
1 1 1 6  42 28 o 4.886000       1.356000      329.8881      -103.7 
1 1 1 6  42 29 o 40.58000       2.435000      830.9810      135.8  
1 1 1 6  42 30 o 5.100000       1.983000      215.9135      -117.7 
1 1 1 6  42 31 o 6.168000       2.085000      432.8009      169.9  
1 1 1 6  42 32 o 1.176000       0.9871000     259.1399      76.5   
1 1 1 6  42 33 o 2.777000       1.006000      295.0597      96.4   
1 1 1 6  42 34 o 2.941000       0.9743000     282.5217      -137.1 
1 1 1 6  42 35 o 8.915000       1.266000      480.3639      -113.2 
1 1 1 6  42 36 o 6.598000       1.247000      427.0028      50.6   
1 1 1 6  42 37 o 3.241000       0.6846000     311.3348      110.4  
1 1 1 6  42 38 o -0.4444000     0.7150000     47.47143      32.5   
1 1 1 6  42 39 o 7.226000       0.9331000     ?             ?      
1 1 1 6  42 40 o 4.860000       0.9729000     ?             ?      
1 1 1 6  42 41 o 15.37000       1.699000      ?             ?      
1 1 1 6  42 42 o -0.7223000     0.8888000     ?             ?      
1 1 1 6  42 43 o 2.242000       1.086000      ?             ?      
1 1 1 6  42 44 o 0.1661000      1.284000      ?             ?      
1 1 1 6  42 45 o -0.2995000     1.241000      ?             ?      
1 1 1 6  42 46 o 0.2165000      1.018000      ?             ?      
1 1 1 6  42 47 o 1.513000       0.9802000     ?             ?      
1 1 1 6  42 48 o -0.8998000E-01 0.9933000     ?             ?      
1 1 1 6  42 49 o 10.04000       1.095000      ?             ?      
1 1 1 6  42 50 o 5.940000       1.065000      ?             ?      
1 1 1 6  42 51 o 2.915000       1.060000      ?             ?      
1 1 1 6  42 52 o -3.144000      1.048000      ?             ?      
1 1 1 6  42 53 o 5.618000       1.114000      ?             ?      
1 1 1 6  42 54 o 1.933000       1.122000      ?             ?      
1 1 1 6  42 55 o 2.754000       1.135000      ?             ?      
1 1 1 6  42 56 o 1.795000       1.249000      ?             ?      
1 1 1 6  42 57 o 6.152000       1.407000      ?             ?      
1 1 1 6  42 58 o -1.504000      2.044000      ?             ?      
1 1 1 6  42 59 o -2.161000      2.004000      ?             ?      
1 1 1 6  43 0  o 10.29000       1.208000      412.4724      -180.0 
1 1 1 6  43 1  o 13.37000       0.8522000     508.3987      -132.2 
1 1 1 6  43 2  o 2.760000       0.8488000     320.6529      19.4   
1 1 1 6  43 3  o -1.005000      0.8105000     127.8781      -103.2 
1 1 1 6  43 4  o 18.94000       0.9049000     730.1947      -157.4 
1 1 1 6  43 5  o 0.3320000      0.9110000     112.6460      77.2   
1 1 1 6  43 6  o 53.71000       1.665000      1055.136      41.2   
1 1 1 6  43 7  o 5.554000       0.7317000     187.5035      163.9  
1 1 1 6  43 8  o 2.771000       0.6915000     298.7300      171.0  
1 1 1 6  43 9  o 0.4360000      0.6833000     215.7145      -123.7 
1 1 1 6  43 10 o 2.659000       0.6382000     352.1979      76.3   
1 1 1 6  43 11 o 4.294000       0.7503000     279.1756      -95.9  
1 1 1 6  43 12 o 2.714000       0.6565000     135.1657      -96.6  
1 1 1 6  43 13 o 2.027000       1.132000      396.3870      71.8   
1 1 1 6  43 14 o 0.3237000      1.576000      313.6639      17.7   
1 1 1 6  43 15 o 5.386000       1.176000      547.6970      -36.5  
1 1 1 6  43 16 o 7.873000       1.180000      169.0264      36.8   
1 1 1 6  43 17 o 12.82000       1.256000      569.1317      122.5  
1 1 1 6  43 18 o 5.302000       1.237000      302.0759      -127.4 
1 1 1 6  43 19 o 2.391000       1.492000      98.27793      121.2  
1 1 1 6  43 20 o 2.183000       1.499000      156.1217      155.8  
1 1 1 6  43 21 o -0.1704000     1.497000      76.37972      14.2   
1 1 1 6  43 22 o 8.654000       1.576000      390.3071      129.7  
1 1 1 6  43 23 o 7.014000       1.558000      515.1221      -35.7  
1 1 1 6  43 24 o 2.550000       1.572000      237.4517      -23.0  
1 1 1 6  43 25 o 6.401000       1.678000      299.8284      -63.6  
1 1 1 6  43 26 f 25.80000       1.999000      702.6360      139.1  
1 1 1 6  43 27 o 16.57000       1.902000      438.0186      -6.2   
1 1 1 6  43 28 o 9.270000       2.248000      428.0515      -31.4  
1 1 1 6  43 29 o 48.89000       2.799000      878.7993      -159.3 
1 1 1 6  43 30 o 4.745000       2.053000      273.7940      -26.9  
1 1 1 6  43 31 o 1.253000       2.063000      128.6723      -121.0 
1 1 1 6  43 32 o 5.637000       1.503000      244.2724      -55.1  
1 1 1 6  43 33 o 3.418000       0.9929000     325.2167      -79.2  
1 1 1 6  43 34 o 18.85000       1.367000      594.5468      -8.4   
1 1 1 6  43 35 o 5.259000       1.107000      437.6152      63.0   
1 1 1 6  43 36 o 5.303000       1.038000      318.7635      10.3   
1 1 1 6  43 37 o 7.672000       1.253000      ?             ?      
1 1 1 6  43 38 o 2.360000       0.6442000     ?             ?      
1 1 1 6  43 39 o 0.4801000      0.6711000     ?             ?      
1 1 1 6  43 40 o 1.345000       0.8190000     ?             ?      
1 1 1 6  43 41 o 1.846000       0.8910000     ?             ?      
1 1 1 6  43 42 o 0.1802000      0.9442000     ?             ?      
1 1 1 6  43 43 o 2.839000       0.8745000     ?             ?      
1 1 1 6  43 44 o 19.05000       1.501000      ?             ?      
1 1 1 6  43 45 o 4.164000       2.452000      ?             ?      
1 1 1 6  43 46 o -0.1129000     1.146000      ?             ?      
1 1 1 6  43 47 o 3.039000       0.9540000     ?             ?      
1 1 1 6  43 48 o -1.039000      0.9634000     ?             ?      
1 1 1 6  43 49 o 2.953000       1.006000      ?             ?      
1 1 1 6  43 50 o 0.8799000      0.9961000     ?             ?      
1 1 1 6  43 51 o 0.9587000      1.006000      ?             ?      
1 1 1 6  43 52 o 1.005000       1.027000      ?             ?      
1 1 1 6  43 53 o 0.8895000E-02  1.054000      ?             ?      
1 1 1 6  43 54 o 1.914000       1.074000      ?             ?      
1 1 1 6  43 55 o 1.818000       1.097000      ?             ?      
1 1 1 6  43 56 o 2.116000       1.528000      ?             ?      
1 1 1 6  43 57 o -0.6664000     1.356000      ?             ?      
1 1 1 6  43 58 o 1.325000       1.587000      ?             ?      
1 1 1 6  44 0  o 2.965000       1.112000      187.2859      180.0  
1 1 1 6  44 1  o 5.801000       0.8026000     297.6442      -29.7  
1 1 1 6  44 2  o 10.92000       0.9191000     551.4409      55.7   
1 1 1 6  44 3  o 23.75000       1.134000      730.5354      123.4  
1 1 1 6  44 4  o 8.656000       0.8129000     508.0327      47.0   
1 1 1 6  44 5  o 9.371000       0.9133000     504.0051      88.4   
1 1 1 6  44 6  o 13.88000       1.034000      521.4756      127.2  
1 1 1 6  44 7  o 37.12000       1.250000      897.3759      173.0  
1 1 1 6  44 8  o 3.152000       0.7132000     244.2918      24.3   
1 1 1 6  44 9  o 11.73000       0.7606000     600.5272      81.2   
1 1 1 6  44 10 o 6.542000       0.7609000     454.7780      -96.7  
1 1 1 6  44 11 o 3.720000       0.7334000     362.6519      76.6   
1 1 1 6  44 12 o 31.29000       1.961000      820.3253      65.6   
1 1 1 6  44 13 o 4.204000       1.625000      392.6070      -127.3 
1 1 1 6  44 14 o 11.23000       1.709000      452.8673      -119.2 
1 1 1 6  44 15 o 20.92000       1.429000      795.1249      76.1   
1 1 1 6  44 16 o 1.196000       1.159000      145.6878      -56.6  
1 1 1 6  44 17 o 38.32000       1.679000      968.2980      -113.9 
1 1 1 6  44 18 o -1.635000      1.227000      120.4535      164.7  
1 1 1 6  44 19 f 3.264000       1.556000      314.6804      -7.3   
1 1 1 6  44 20 o 6.299000       1.586000      321.9737      156.7  
1 1 1 6  44 21 o 1.384000       1.549000      114.7995      -20.7  
1 1 1 6  44 22 o 7.254000       1.605000      433.2899      63.2   
1 1 1 6  44 23 o 4.167000       1.599000      315.1700      -168.1 
1 1 1 6  44 24 o 10.65000       1.717000      487.0506      82.1   
1 1 1 6  44 25 o 10.53000       1.826000      448.3737      176.9  
1 1 1 6  44 26 o -1.028000      1.807000      258.5721      81.7   
1 1 1 6  44 27 o -0.7784000     1.835000      161.1811      -38.2  
1 1 1 6  44 28 o -1.618000      2.235000      209.5529      -11.1  
1 1 1 6  44 29 o 0.6052000      2.816000      198.3965      -153.8 
1 1 1 6  44 30 o -0.5282000     2.411000      125.3185      -32.8  
1 1 1 6  44 31 o 0.6430000      1.950000      228.4429      32.9   
1 1 1 6  44 32 o 11.37000       1.568000      541.1543      29.7   
1 1 1 6  44 33 o 5.324000       1.564000      453.9636      -31.1  
1 1 1 6  44 34 o 1.750000       1.033000      247.1013      170.6  
1 1 1 6  44 35 o 29.72000       2.022000      790.8876      71.1   
1 1 1 6  44 36 o -0.2319000     0.9946000     ?             ?      
1 1 1 6  44 37 o 2.693000       0.9822000     ?             ?      
1 1 1 6  44 38 o 2.025000       0.9740000     ?             ?      
1 1 1 6  44 39 o 1.472000       1.149000      ?             ?      
1 1 1 6  44 40 o 1.159000       0.6425000     ?             ?      
1 1 1 6  44 41 o 0.5911000      0.7735000     ?             ?      
1 1 1 6  44 42 o -0.6356000     0.8414000     ?             ?      
1 1 1 6  44 43 o 4.858000       0.9476000     ?             ?      
1 1 1 6  44 44 o 0.2343000      0.9233000     ?             ?      
1 1 1 6  44 45 o 0.1223000      1.184000      ?             ?      
1 1 1 6  44 46 o 2.193000       1.209000      ?             ?      
1 1 1 6  44 47 o 0.1718000      1.071000      ?             ?      
1 1 1 6  44 48 o 9.120000       1.007000      ?             ?      
1 1 1 6  44 49 o 0.2695000      0.9511000     ?             ?      
1 1 1 6  44 50 o 1.104000       0.9743000     ?             ?      
1 1 1 6  44 51 o 2.850000       1.015000      ?             ?      
1 1 1 6  44 52 o 1.337000       1.010000      ?             ?      
1 1 1 6  44 53 o 0.2925000E-01  1.028000      ?             ?      
1 1 1 6  44 54 o -0.6690000     1.049000      ?             ?      
1 1 1 6  44 55 o 3.496000       1.099000      ?             ?      
1 1 1 6  44 56 o 0.2103000      1.106000      ?             ?      
1 1 1 6  44 57 o 0.1253000E-01  1.210000      ?             ?      
1 1 1 6  45 0  o -1.055000      1.094000      72.37960      180.0  
1 1 1 6  45 1  o 9.564000       0.8417000     429.0335      72.7   
1 1 1 6  45 2  o 0.2618000      0.8568000     17.49930      -62.5  
1 1 1 6  45 3  o 39.20000       1.401000      835.6758      -170.1 
1 1 1 6  45 4  o 9.599000       0.8923000     454.4798      -140.3 
1 1 1 6  45 5  o 0.7856000      0.8825000     213.7381      41.3   
1 1 1 6  45 6  o 1.068000       0.9479000     149.2028      66.8   
1 1 1 6  45 7  o 29.30000       1.170000      799.5129      -157.7 
1 1 1 6  45 8  o 0.9014000      0.7332000     225.2007      -74.7  
1 1 1 6  45 9  o 4.093000       0.7226000     466.3986      -118.1 
1 1 1 6  45 10 o 18.16000       0.9447000     615.5840      -142.9 
1 1 1 6  45 11 o 0.2493000E-01  0.6854000     160.9892      74.1   
1 1 1 6  45 12 o -0.6842000     1.112000      244.2673      93.6   
1 1 1 6  45 13 o 1.959000       1.623000      264.1394      134.1  
1 1 1 6  45 14 o 20.49000       1.929000      730.1172      -72.6  
1 1 1 6  45 15 o -0.8190000E-01 1.165000      149.1000      97.1   
1 1 1 6  45 16 o 8.173000       1.562000      463.3989      99.4   
1 1 1 6  45 17 o -0.1724000E-01 1.211000      108.8726      177.7  
1 1 1 6  45 18 o 7.634000       1.620000      483.9890      -72.4  
1 1 1 6  45 19 o 8.351000       1.649000      331.2951      56.3   
1 1 1 6  45 20 o 0.6900000      1.610000      185.6407      118.4  
1 1 1 6  45 21 o 3.558000       1.650000      226.2376      -167.9 
1 1 1 6  45 22 o 1.595000       1.637000      123.3060      172.1  
1 1 1 6  45 23 o 3.716000       1.687000      240.4115      -122.3 
1 1 1 6  45 24 f -2.319000      1.729000      402.7863      -132.3 
1 1 1 6  45 25 o 7.317000       1.854000      413.3795      176.9  
1 1 1 6  45 26 o 2.663000       1.860000      175.6631      131.4  
1 1 1 6  45 27 o 7.032000       2.304000      273.2691      53.4   
1 1 1 6  45 28 o 0.8248000      3.762000      211.1629      142.7  
1 1 1 6  45 29 o 4.171000       3.956000      168.5319      155.6  
1 1 1 6  45 30 o 6.406000       2.461000      262.4080      -73.6  
1 1 1 6  45 31 o 5.577000       1.981000      271.7939      155.6  
1 1 1 6  45 32 o 7.862000       2.025000      283.5329      58.3   
1 1 1 6  45 33 o 6.168000       1.540000      418.3664      15.3   
1 1 1 6  45 34 o 6.959000       1.570000      ?             ?      
1 1 1 6  45 35 o 5.907000       1.569000      ?             ?      
1 1 1 6  45 36 o 5.323000       0.9779000     ?             ?      
1 1 1 6  45 37 o 0.9980000      0.9636000     ?             ?      
1 1 1 6  45 38 o 1.880000       0.9251000     ?             ?      
1 1 1 6  45 39 o 0.8550000      0.9581000     ?             ?      
1 1 1 6  45 40 o 5.486000       1.172000      ?             ?      
1 1 1 6  45 41 o 2.886000       0.9334000     ?             ?      
1 1 1 6  45 42 o 0.7736000E-01  0.6840000     ?             ?      
1 1 1 6  45 43 o 1.530000       0.8433000     ?             ?      
1 1 1 6  45 44 o 0.6869000      0.8412000     ?             ?      
1 1 1 6  45 45 o -0.5955000     0.8292000     ?             ?      
1 1 1 6  45 46 o 2.628000       1.044000      ?             ?      
1 1 1 6  45 47 o 1.183000       1.179000      ?             ?      
1 1 1 6  45 48 o -1.528000      1.046000      ?             ?      
1 1 1 6  45 49 o 2.338000       0.9230000     ?             ?      
1 1 1 6  45 50 o 3.087000       0.9462000     ?             ?      
1 1 1 6  45 51 o 0.5412000      0.9723000     ?             ?      
1 1 1 6  45 52 o 2.313000       1.029000      ?             ?      
1 1 1 6  45 53 o -0.7999000E-01 1.031000      ?             ?      
1 1 1 6  45 54 o 0.3580000      1.042000      ?             ?      
1 1 1 6  45 55 o 1.361000       1.068000      ?             ?      
1 1 1 6  45 56 o -0.2071000     1.122000      ?             ?      
1 1 1 6  46 0  o 11.68000       1.254000      779.8160      180.0  
1 1 1 6  46 1  o 12.93000       0.9058000     526.7096      -31.8  
1 1 1 6  46 2  o 0.4582000      0.7910000     148.4978      146.4  
1 1 1 6  46 3  o 2.165000       0.9251000     311.7899      -119.0 
1 1 1 6  46 4  o -0.9051000     0.8491000     165.7219      2.9    
1 1 1 6  46 5  o 4.896000       0.8345000     258.5479      -91.8  
1 1 1 6  46 6  o 17.03000       1.244000      572.1446      -122.4 
1 1 1 6  46 7  o 8.555000       0.9447000     449.7501      -93.1  
1 1 1 6  46 8  o 0.4699000      0.7482000     106.7176      172.6  
1 1 1 6  46 9  o 9.934000       0.7746000     410.3637      75.2   
1 1 1 6  46 10 o 0.7037000      0.7987000     252.0287      -111.3 
1 1 1 6  46 11 o -1.135000      1.454000      81.06478      119.0  
1 1 1 6  46 12 o 1.829000       1.228000      338.6845      -150.1 
1 1 1 6  46 13 o 20.87000       2.245000      580.3371      -59.4  
1 1 1 6  46 14 o 6.385000       1.593000      263.4643      91.7   
1 1 1 6  46 15 o 6.043000       1.239000      395.2389      12.1   
1 1 1 6  46 16 o 13.08000       1.344000      543.3790      -106.0 
1 1 1 6  46 17 o 6.227000       1.255000      374.0707      90.0   
1 1 1 6  46 18 o 2.109000       1.642000      309.7304      -115.0 
1 1 1 6  46 19 o -0.5104000     1.639000      230.1566      179.2  
1 1 1 6  46 20 o 3.431000       1.691000      263.3530      -70.8  
1 1 1 6  46 21 o 29.23000       2.070000      575.9659      -48.8  
1 1 1 6  46 22 o 6.329000       1.769000      213.7276      65.4   
1 1 1 6  46 23 o 4.594000       1.788000      244.6758      178.8  
1 1 1 6  46 24 o 0.9995000      1.825000      105.8200      75.6   
1 1 1 6  46 25 o 12.36000       1.973000      501.5523      -109.0 
1 1 1 6  46 26 o 13.97000       2.023000      439.8451      89.4   
1 1 1 6  46 27 o 0.2101000      2.358000      107.4488      -173.4 
1 1 1 6  46 28 o 3.692000       2.946000      345.6049      -119.9 
1 1 1 6  46 29 o 0.7088000      2.440000      102.3773      -45.5  
1 1 1 6  46 30 o 8.091000       2.002000      357.3257      75.7   
1 1 1 6  46 31 o 7.974000       2.001000      317.7175      9.3    
1 1 1 6  46 32 o 3.046000       2.001000      ?             ?      
1 1 1 6  46 33 o 12.85000       2.126000      ?             ?      
1 1 1 6  46 34 o 17.54000       2.186000      ?             ?      
1 1 1 6  46 35 o 4.714000       1.505000      ?             ?      
1 1 1 6  46 36 o -1.077000      1.491000      ?             ?      
1 1 1 6  46 37 o 1.800000       0.9373000     ?             ?      
1 1 1 6  46 38 o 3.906000       0.9604000     ?             ?      
1 1 1 6  46 39 o 4.221000       0.9480000     ?             ?      
1 1 1 6  46 40 o 2.104000       0.9360000     ?             ?      
1 1 1 6  46 41 o 3.192000       0.9632000     ?             ?      
1 1 1 6  46 42 o 2.303000       1.177000      ?             ?      
1 1 1 6  46 43 o 0.1703000      1.145000      ?             ?      
1 1 1 6  46 44 o 9.471000       0.9041000     ?             ?      
1 1 1 6  46 45 o -0.7415000     0.8305000     ?             ?      
1 1 1 6  46 46 o -0.4722000     0.7380000     ?             ?      
1 1 1 6  46 47 o 0.3323000      0.8038000     ?             ?      
1 1 1 6  46 48 o 2.539000       1.041000      ?             ?      
1 1 1 6  46 49 o -0.4178000     1.180000      ?             ?      
1 1 1 6  46 50 o 1.002000       0.9281000     ?             ?      
1 1 1 6  46 51 o -1.067000      1.321000      ?             ?      
1 1 1 6  46 52 o 1.065000       0.9949000     ?             ?      
1 1 1 6  46 53 o 1.638000       1.008000      ?             ?      
1 1 1 6  46 54 o 1.033000       1.037000      ?             ?      
1 1 1 6  46 55 o -0.4945000     1.047000      ?             ?      
1 1 1 6  47 0  o 26.90000       1.541000      636.2642      -0.0   
1 1 1 6  47 1  o 1.989000       0.8671000     244.2434      -117.3 
1 1 1 6  47 2  o -0.3514000     0.8222000     55.88882      -147.8 
1 1 1 6  47 3  o 10.98000       0.9778000     343.8864      111.4  
1 1 1 6  47 4  o 15.41000       1.004000      548.8394      17.5   
1 1 1 6  47 5  o 6.579000       0.8663000     334.0750      -27.4  
1 1 1 6  47 6  o 6.401000       1.053000      367.9997      -75.1  
1 1 1 6  47 7  o -1.412000      0.9909000     175.5726      -31.1  
1 1 1 6  47 8  o 0.9727000      0.8284000     140.8086      13.4   
1 1 1 6  47 9  o 16.90000       0.9824000     680.8120      -128.0 
1 1 1 6  47 10 o 0.9720000      0.7411000     73.70216      -47.6  
1 1 1 6  47 11 o 7.000000       1.567000      434.3242      8.6    
1 1 1 6  47 12 o 3.928000       1.815000      337.8164      153.1  
1 1 1 6  47 13 o 0.3768000      1.725000      198.3429      -59.7  
1 1 1 6  47 14 o 7.928000       1.291000      373.4492      -5.3   
1 1 1 6  47 15 o 9.612000       1.309000      510.9880      138.7  
1 1 1 6  47 16 o 1.373000       1.264000      131.0517      -158.5 
1 1 1 6  47 17 o 15.36000       2.550000      463.4354      -45.2  
1 1 1 6  47 18 o 4.295000       1.716000      186.6871      -5.9   
1 1 1 6  47 19 o 3.637000       1.748000      235.5804      -1.7   
1 1 1 6  47 20 o 12.04000       1.852000      433.6998      113.1  
1 1 1 6  47 21 o 0.9285000      1.783000      169.7563      -51.1  
1 1 1 6  47 22 o 2.449000       1.803000      204.9371      -100.3 
1 1 1 6  47 23 o 3.446000       1.849000      185.2174      116.9  
1 1 1 6  47 24 o 2.496000       1.876000      193.4711      -166.4 
1 1 1 6  47 25 o 3.727000       1.904000      223.5797      -125.3 
1 1 1 6  47 26 o 3.201000       2.356000      222.0923      -37.9  
1 1 1 6  47 27 o 25.49000       4.495000      545.1029      157.2  
1 1 1 6  47 28 o 2.063000       4.065000      211.9175      101.2  
1 1 1 6  47 29 o 3.620000       2.413000      233.9099      -23.2  
1 1 1 6  47 30 o 14.03000       2.086000      ?             ?      
1 1 1 6  47 31 o 6.051000       2.043000      ?             ?      
1 1 1 6  47 32 o 0.7294000      1.989000      ?             ?      
1 1 1 6  47 33 o -1.468000      1.979000      ?             ?      
1 1 1 6  47 34 o 0.3646000      1.930000      ?             ?      
1 1 1 6  47 35 o 3.398000       1.964000      ?             ?      
1 1 1 6  47 36 o 4.033000       1.957000      ?             ?      
1 1 1 6  47 37 o -0.1995000     1.907000      ?             ?      
1 1 1 6  47 38 o 5.024000       1.542000      ?             ?      
1 1 1 6  47 39 o 2.421000       0.9218000     ?             ?      
1 1 1 6  47 40 f 2.451000       0.9448000     ?             ?      
1 1 1 6  47 41 o -0.8161000     0.9499000     ?             ?      
1 1 1 6  47 42 o 4.478000       1.038000      ?             ?      
1 1 1 6  47 43 o 1.692000       1.339000      ?             ?      
1 1 1 6  47 44 o -0.7834000     0.9056000     ?             ?      
1 1 1 6  47 45 o 2.095000       1.423000      ?             ?      
1 1 1 6  47 46 o 1.187000       0.7958000     ?             ?      
1 1 1 6  47 47 o -0.8882000     0.7202000     ?             ?      
1 1 1 6  47 48 o 2.714000       0.8243000     ?             ?      
1 1 1 6  47 49 o 0.5181000      1.028000      ?             ?      
1 1 1 6  47 50 o 0.4091000      1.221000      ?             ?      
1 1 1 6  47 51 o -0.3748000E-02 1.057000      ?             ?      
1 1 1 6  47 52 o 0.2466000      0.9390000     ?             ?      
1 1 1 6  47 53 o 1.021000       0.9881000     ?             ?      
1 1 1 6  47 54 o 0.4841000      1.355000      ?             ?      
1 1 1 6  48 0  o 9.812000       1.325000      429.6371      180.0  
1 1 1 6  48 1  o 10.41000       0.9398000     348.4373      -31.7  
1 1 1 6  48 2  o 3.353000       0.8815000     215.2781      -2.2   
1 1 1 6  48 3  o 11.76000       1.040000      448.7679      33.3   
1 1 1 6  48 4  o 9.729000       1.081000      431.5281      139.5  
1 1 1 6  48 5  o 6.275000       0.9448000     297.8051      -143.9 
1 1 1 6  48 6  o 2.466000       1.128000      171.9114      -178.8 
1 1 1 6  48 7  o 3.305000       1.031000      164.5891      -11.1  
1 1 1 6  48 8  f 10.12000       1.252000      354.0658      125.1  
1 1 1 6  48 9  o 5.367000       0.8048000     332.0050      -6.3   
1 1 1 6  48 10 o 10.00000       1.098000      381.1291      -118.0 
1 1 1 6  48 11 o 1.971000       0.7388000     276.2196      -68.2  
1 1 1 6  48 12 o 1.485000       1.800000      136.9190      -1.9   
1 1 1 6  48 13 o 2.328000       1.271000      288.0806      -37.8  
1 1 1 6  48 14 o 9.939000       1.415000      381.6484      146.0  
1 1 1 6  48 15 o 1.809000       1.272000      122.1265      -27.6  
1 1 1 6  48 16 o 5.106000       1.294000      386.8315      -73.2  
1 1 1 6  48 17 o 4.362000       1.735000      223.1744      84.5   
1 1 1 6  48 18 o 5.750000       1.799000      289.9778      -80.1  
1 1 1 6  48 19 o 3.626000       1.802000      195.6996      12.9   
1 1 1 6  48 20 o 5.100000       1.848000      235.1899      -34.2  
1 1 1 6  48 21 o 1.698000       1.846000      173.9300      6.7    
1 1 1 6  48 22 o 4.453000       1.882000      231.3540      53.0   
1 1 1 6  48 23 o 2.521000       1.871000      165.3934      -88.4  
1 1 1 6  48 24 o -0.2010000     1.868000      104.5487      43.9   
1 1 1 6  48 25 o 6.413000       1.956000      252.3495      -46.8  
1 1 1 6  48 26 o 3.081000       2.425000      197.4711      -141.6 
1 1 1 6  48 27 o -4.049000      2.867000      66.98292      -162.4 
1 1 1 6  48 28 o 2.997000       2.498000      ?             ?      
1 1 1 6  48 29 o 3.041000       1.964000      ?             ?      
1 1 1 6  48 30 o 14.71000       2.115000      ?             ?      
1 1 1 6  48 31 o -2.150000      2.803000      ?             ?      
1 1 1 6  48 32 f 0.9085000      1.954000      ?             ?      
1 1 1 6  48 33 o 1.786000       1.942000      ?             ?      
1 1 1 6  48 34 o -0.7663000     1.925000      ?             ?      
1 1 1 6  48 35 o 3.901000       1.931000      ?             ?      
1 1 1 6  48 36 o -1.389000      1.890000      ?             ?      
1 1 1 6  48 37 o 1.738000       2.832000      ?             ?      
1 1 1 6  48 38 o 0.3407000      1.940000      ?             ?      
1 1 1 6  48 39 o 3.277000       1.553000      ?             ?      
1 1 1 6  48 40 o 2.015000       0.9027000     ?             ?      
1 1 1 6  48 41 o -0.7526000     0.9863000     ?             ?      
1 1 1 6  48 42 o 1.963000       1.078000      ?             ?      
1 1 1 6  48 43 o 0.7187000      0.9877000     ?             ?      
1 1 1 6  48 44 o 2.086000       0.9447000     ?             ?      
1 1 1 6  48 45 o 0.1087000      1.112000      ?             ?      
1 1 1 6  48 46 o -0.7877000     1.415000      ?             ?      
1 1 1 6  48 47 o 0.5201000      0.7429000     ?             ?      
1 1 1 6  48 48 o 0.9666000      0.7566000     ?             ?      
1 1 1 6  48 49 o 0.9284000      0.7591000     ?             ?      
1 1 1 6  48 50 o 1.417000       1.046000      ?             ?      
1 1 1 6  48 51 o 1.470000       1.179000      ?             ?      
1 1 1 6  48 52 o -0.6869000     1.549000      ?             ?      
1 1 1 6  48 53 o 1.174000       0.9528000     ?             ?      
1 1 1 6  49 0  o 0.6205000      1.272000      108.5601      -180.0 
1 1 1 6  49 1  o 1.170000       0.9574000     87.44761      -148.5 
1 1 1 6  49 2  o 5.749000       0.9879000     263.9610      93.4   
1 1 1 6  49 3  o -0.1914000     0.9890000     84.89554      55.6   
1 1 1 6  49 4  f 1.271000       1.214000      216.1057      -60.3  
1 1 1 6  49 5  o 5.264000       1.223000      242.4808      -68.2  
1 1 1 6  49 6  o 2.151000       1.005000      149.9411      134.0  
1 1 1 6  49 7  o 0.5063000      1.030000      115.4663      -2.3   
1 1 1 6  49 8  o 6.914000       1.005000      311.6567      70.3   
1 1 1 6  49 9  o 3.740000       0.7685000     282.3779      -23.6  
1 1 1 6  49 10 o 0.8775000      0.6647000     132.0217      31.7   
1 1 1 6  49 11 o 2.922000       0.7806000     202.4450      -133.5 
1 1 1 6  49 12 o 11.33000       1.912000      376.1912      70.1   
1 1 1 6  49 13 o 7.395000       1.437000      386.2620      -50.1  
1 1 1 6  49 14 o 2.089000       1.283000      217.6575      161.2  
1 1 1 6  49 15 o 1.997000       1.310000      139.3416      -73.4  
1 1 1 6  49 16 o -1.604000      1.708000      69.98116      31.0   
1 1 1 6  49 17 o 12.16000       1.864000      324.7784      46.5   
1 1 1 6  49 18 o -0.2647000     1.754000      119.3830      -119.7 
1 1 1 6  49 19 o 4.592000       1.844000      173.9049      88.5   
1 1 1 6  49 20 o 9.492000       1.928000      420.5421      74.4   
1 1 1 6  49 21 o 10.07000       1.957000      292.4023      15.7   
1 1 1 6  49 22 o 2.919000       1.887000      221.5119      136.3  
1 1 1 6  49 23 o 8.857000       1.946000      313.6511      133.7  
1 1 1 6  49 24 o 7.193000       1.965000      337.4736      14.5   
1 1 1 6  49 25 o 1.673000       2.385000      155.1973      -92.2  
1 1 1 6  49 26 o 11.01000       4.133000      ?             ?      
1 1 1 6  49 27 o -1.051000      4.027000      ?             ?      
1 1 1 6  49 28 o 0.1910000      2.450000      ?             ?      
1 1 1 6  49 29 o 4.745000       1.949000      ?             ?      
1 1 1 6  49 30 o 3.016000       1.948000      ?             ?      
1 1 1 6  49 31 o 0.6569000      1.895000      ?             ?      
1 1 1 6  49 32 o 4.090000       1.935000      ?             ?      
1 1 1 6  49 33 o 9.618000       2.682000      ?             ?      
1 1 1 6  49 34 o 4.325000       1.905000      ?             ?      
1 1 1 6  49 35 o 0.1494000      1.864000      ?             ?      
1 1 1 6  49 36 o 3.643000       1.929000      ?             ?      
1 1 1 6  49 37 o 2.086000       1.923000      ?             ?      
1 1 1 6  49 38 o 4.333000       1.951000      ?             ?      
1 1 1 6  49 39 o 1.584000       1.948000      ?             ?      
1 1 1 6  49 40 o 1.972000       2.412000      ?             ?      
1 1 1 6  49 41 o -0.8079000     2.055000      ?             ?      
1 1 1 6  49 42 o -1.452000      0.9686000     ?             ?      
1 1 1 6  49 43 o 1.929000       0.9908000     ?             ?      
1 1 1 6  49 44 o 0.1237000      0.8822000     ?             ?      
1 1 1 6  49 45 o 1.286000       0.9266000     ?             ?      
1 1 1 6  49 46 o 0.3307000      1.133000      ?             ?      
1 1 1 6  49 47 o 2.514000       1.424000      ?             ?      
1 1 1 6  49 48 o -1.583000      1.421000      ?             ?      
1 1 1 6  49 49 o 0.1339000      0.7861000     ?             ?      
1 1 1 6  49 50 o 1.278000       0.7388000     ?             ?      
1 1 1 6  49 51 o -0.1133000     0.7734000     ?             ?      
1 1 1 6  49 52 o 0.2273000      1.138000      ?             ?      
1 1 1 6  50 0  o -0.6485000     1.520000      27.15995      180.0  
1 1 1 6  50 1  o 4.632000       1.440000      238.4346      -18.6  
1 1 1 6  50 2  o 7.773000       1.524000      366.8691      87.8   
1 1 1 6  50 3  o 0.4786000      1.009000      88.66125      37.6   
1 1 1 6  50 4  o 5.392000       1.290000      166.3734      -168.9 
1 1 1 6  50 5  o -0.2075000     1.201000      53.82150      -151.0 
1 1 1 6  50 6  o 0.2173000      0.8456000     78.96905      112.9  
1 1 1 6  50 7  o 6.597000       1.063000      252.1403      -153.9 
1 1 1 6  50 8  o -1.867000      0.8945000     96.92113      -105.1 
1 1 1 6  50 9  o 0.5685000      0.7168000     168.9504      -91.0  
1 1 1 6  50 10 o -0.4907000     0.6491000     90.21918      72.4   
1 1 1 6  50 11 o 2.606000       0.7802000     218.9649      -4.6   
1 1 1 6  50 12 o 5.862000       1.420000      234.4245      -14.8  
1 1 1 6  50 13 o 0.7179000      1.275000      39.85312      -158.9 
1 1 1 6  50 14 o 5.820000       1.308000      293.4205      48.9   
1 1 1 6  50 15 o 8.289000       1.375000      228.9805      -77.1  
1 1 1 6  50 16 o 3.973000       1.771000      187.5753      -68.8  
1 1 1 6  50 17 o 3.249000       1.774000      100.4773      -50.9  
1 1 1 6  50 18 o 4.365000       1.795000      114.0777      -147.2 
1 1 1 6  50 19 o 3.785000       1.828000      158.9412      143.2  
1 1 1 6  50 20 o 3.341000       1.875000      170.2408      -164.1 
1 1 1 6  50 21 o 3.974000       1.921000      206.9336      17.3   
1 1 1 6  50 22 o 5.020000       1.895000      223.3350      155.2  
1 1 1 6  50 23 o -2.111000      1.876000      ?             ?      
1 1 1 6  50 24 o 3.021000       1.928000      ?             ?      
1 1 1 6  50 25 o -0.8252000     2.322000      ?             ?      
1 1 1 6  50 26 o 2.807000       2.839000      ?             ?      
1 1 1 6  50 27 o 2.485000       2.428000      ?             ?      
1 1 1 6  50 28 o 1.958000       1.930000      ?             ?      
1 1 1 6  50 29 o -0.5106000     1.888000      ?             ?      
1 1 1 6  50 30 o -1.121000      1.867000      ?             ?      
1 1 1 6  50 31 o 2.362000       1.879000      ?             ?      
1 1 1 6  50 32 o 1.619000       1.833000      ?             ?      
1 1 1 6  50 33 o 2.527000       1.894000      ?             ?      
1 1 1 6  50 34 o -0.6697000     1.877000      ?             ?      
1 1 1 6  50 35 o -2.145000      1.897000      ?             ?      
1 1 1 6  50 36 o -2.001000      1.905000      ?             ?      
1 1 1 6  50 37 o 2.730000       1.918000      ?             ?      
1 1 1 6  50 38 o 0.5481000E-01  1.914000      ?             ?      
1 1 1 6  50 39 o -0.9918000     1.927000      ?             ?      
1 1 1 6  50 40 o 2.557000       2.625000      ?             ?      
1 1 1 6  50 41 o -0.2023000     4.359000      ?             ?      
1 1 1 6  50 42 o -2.923000      2.540000      ?             ?      
1 1 1 6  50 43 o -1.122000      0.9017000     ?             ?      
1 1 1 6  50 44 o -0.8126000     0.9054000     ?             ?      
1 1 1 6  50 45 o 1.672000       0.9213000     ?             ?      
1 1 1 6  50 46 o -0.1527000     0.9514000     ?             ?      
1 1 1 6  50 47 o 0.8534000      0.9316000     ?             ?      
1 1 1 6  50 48 o -0.4417000     1.153000      ?             ?      
1 1 1 6  50 49 o -0.3091000     0.8876000     ?             ?      
1 1 1 6  50 50 o -2.099000      1.473000      ?             ?      
1 1 1 6  50 51 o 0.3290000      0.8450000     ?             ?      
1 1 1 6  51 0  o 4.496000       1.417000      269.1538      180.0  
1 1 1 6  51 1  o 3.279000       1.288000      159.7792      -46.4  
1 1 1 6  51 2  f 3.916000       1.629000      145.0899      46.2   
1 1 1 6  51 3  o 6.451000       1.037000      250.3958      -129.0 
1 1 1 6  51 4  o 2.298000       1.230000      228.6125      34.3   
1 1 1 6  51 5  o 6.312000       1.088000      188.4368      -9.0   
1 1 1 6  51 6  o 5.883000       0.8858000     253.2008      -38.4  
1 1 1 6  51 7  o 4.080000       1.070000      212.7089      14.0   
1 1 1 6  51 8  o 1.075000       0.9038000     87.42677      -73.4  
1 1 1 6  51 9  o 0.7998000      0.7258000     24.70461      -37.8  
1 1 1 6  51 10 o 2.643000       0.6537000     159.2047      84.4   
1 1 1 6  51 11 o -1.020000      0.8786000     52.53205      -122.6 
1 1 1 6  51 12 o 1.581000       1.389000      120.1401      137.5  
1 1 1 6  51 13 o 4.397000       1.309000      201.5664      77.3   
1 1 1 6  51 14 o -0.5340000     1.274000      18.85378      47.4   
1 1 1 6  51 15 o 2.576000       1.306000      203.4424      -4.9   
1 1 1 6  51 16 o 6.410000       1.757000      95.20737      137.6  
1 1 1 6  51 17 o 1.066000       1.728000      79.37984      121.0  
1 1 1 6  51 18 o 3.055000       1.751000      140.1863      -86.3  
1 1 1 6  51 19 o 8.249000       1.837000      202.5406      48.5   
1 1 1 6  51 20 o 1.988000       1.862000      ?             ?      
1 1 1 6  51 21 o 5.970000       1.921000      ?             ?      
1 1 1 6  51 22 o 2.226000       1.879000      ?             ?      
1 1 1 6  51 23 o 3.990000       1.907000      ?             ?      
1 1 1 6  51 24 o 0.7350000      2.261000      ?             ?      
1 1 1 6  51 25 o -8.335000      3.609000      ?             ?      
1 1 1 6  51 26 o -2.316000      3.984000      ?             ?      
1 1 1 6  51 27 o 8.044000       2.480000      ?             ?      
1 1 1 6  51 28 o 3.201000       1.897000      ?             ?      
1 1 1 6  51 29 o 2.528000       1.873000      ?             ?      
1 1 1 6  51 30 o 1.245000       1.871000      ?             ?      
1 1 1 6  51 31 o 2.470000       1.910000      ?             ?      
1 1 1 6  51 32 o -1.028000      1.848000      ?             ?      
1 1 1 6  51 33 o 5.917000       1.924000      ?             ?      
1 1 1 6  51 34 o 3.653000       1.923000      ?             ?      
1 1 1 6  51 35 o -0.5752000     1.864000      ?             ?      
1 1 1 6  51 36 o 1.085000       1.887000      ?             ?      
1 1 1 6  51 37 o 0.8890000      1.885000      ?             ?      
1 1 1 6  51 38 o 2.781000       1.917000      ?             ?      
1 1 1 6  51 39 o -0.7568000     2.293000      ?             ?      
1 1 1 6  51 40 o 6.778000       3.796000      ?             ?      
1 1 1 6  51 41 o 7.080000       3.052000      ?             ?      
1 1 1 6  51 42 o -0.4837000     1.935000      ?             ?      
1 1 1 6  51 43 o 1.791000       1.960000      ?             ?      
1 1 1 6  51 44 o 4.393000       2.390000      ?             ?      
1 1 1 6  51 45 o 2.266000       1.584000      ?             ?      
1 1 1 6  51 46 o -0.9132000     0.9175000     ?             ?      
1 1 1 6  51 47 o 0.1915000      0.9102000     ?             ?      
1 1 1 6  51 48 o 0.4543000      0.9573000     ?             ?      
1 1 1 6  51 49 o -1.637000      1.827000      ?             ?      
1 1 1 6  52 0  o 11.99000       1.806000      208.8115      0.0    
1 1 1 6  52 1  o -0.9490000     1.000000      80.19759      160.2  
1 1 1 6  52 2  o 4.773000       1.062000      50.29617      73.3   
1 1 1 6  52 3  o 0.3035000      1.012000      88.49135      -159.5 
1 1 1 6  52 4  o 1.150000       1.229000      68.52958      -12.6  
1 1 1 6  52 5  f -1.254000      1.279000      26.94558      135.4  
1 1 1 6  52 6  o 1.506000       0.8861000     105.5956      -178.8 
1 1 1 6  52 7  o -1.226000      1.115000      65.04729      8.9    
1 1 1 6  52 8  o 4.078000       1.178000      170.3249      -52.6  
1 1 1 6  52 9  o 4.341000       0.7775000     173.3880      -15.4  
1 1 1 6  52 10 o 4.276000       0.6751000     132.0485      32.2   
1 1 1 6  52 11 o 1.015000       0.8985000     11.68836      103.8  
1 1 1 6  52 12 o 4.744000       1.448000      142.0944      -60.7  
1 1 1 6  52 13 o 2.420000       1.322000      56.69236      138.4  
1 1 1 6  52 14 o 1.160000       1.294000      163.6287      96.6   
1 1 1 6  52 15 o 3.766000       1.390000      112.0950      -62.4  
1 1 1 6  52 16 o 1.848000       1.741000      ?             ?      
1 1 1 6  52 17 o 5.820000       1.755000      ?             ?      
1 1 1 6  52 18 o 1.422000       1.734000      ?             ?      
1 1 1 6  52 19 o 8.043000       1.829000      ?             ?      
1 1 1 6  52 20 o -2.928000      1.746000      ?             ?      
1 1 1 6  52 21 o 0.5157000      1.783000      ?             ?      
1 1 1 6  52 22 o 0.3382000E-02  1.809000      ?             ?      
1 1 1 6  52 23 o 4.874000       1.878000      ?             ?      
1 1 1 6  52 24 o 1.984000       2.189000      ?             ?      
1 1 1 6  52 25 o -1.518000      2.654000      ?             ?      
1 1 1 6  52 26 o 0.9033000E-01  2.383000      ?             ?      
1 1 1 6  52 27 o 2.100000       1.809000      ?             ?      
1 1 1 6  52 28 o 0.8716000      1.813000      ?             ?      
1 1 1 6  52 29 f 4.353000       1.867000      ?             ?      
1 1 1 6  52 30 o -1.072000      1.829000      ?             ?      
1 1 1 6  52 31 o 2.028000       1.866000      ?             ?      
1 1 1 6  52 32 o 2.113000       1.881000      ?             ?      
1 1 1 6  52 33 o 2.879000       1.872000      ?             ?      
1 1 1 6  52 34 o 0.1427000      1.832000      ?             ?      
1 1 1 6  52 35 o 0.2542000      1.859000      ?             ?      
1 1 1 6  52 36 o -1.820000      1.867000      ?             ?      
1 1 1 6  52 37 o 0.8592000      1.893000      ?             ?      
1 1 1 6  52 38 o 2.570000       1.926000      ?             ?      
1 1 1 6  52 39 o -1.075000      2.540000      ?             ?      
1 1 1 6  52 40 o 2.893000       4.357000      ?             ?      
1 1 1 6  52 41 o -0.6691000     2.482000      ?             ?      
1 1 1 6  52 42 o 0.1169000      2.309000      ?             ?      
1 1 1 6  52 43 o 3.183000       2.005000      ?             ?      
1 1 1 6  52 44 o 1.588000       2.024000      ?             ?      
1 1 1 6  52 45 o -0.6247000     1.980000      ?             ?      
1 1 1 6  52 46 o 1.818000       2.028000      ?             ?      
1 1 1 6  52 47 o 2.621000       1.657000      ?             ?      
1 1 1 6  52 48 o 0.2821000      4.110000      ?             ?      
1 1 1 6  53 0  o -1.544000      1.424000      97.58115      180.0  
1 1 1 6  53 1  o 8.332000       1.044000      186.6078      31.1   
1 1 1 6  53 2  o 4.854000       1.077000      81.23566      -172.2 
1 1 1 6  53 3  o -0.2922000     0.9329000     50.18600      81.2   
1 1 1 6  53 4  o 4.859000       1.085000      184.9068      -31.5  
1 1 1 6  53 5  o 0.5110000      1.058000      118.5749      -76.3  
1 1 1 6  53 6  o 2.205000       0.8876000     121.5951      75.3   
1 1 1 6  53 7  o 9.697000       1.488000      109.5432      -20.6  
1 1 1 6  53 8  o 1.651000       1.109000      38.53310      -165.7 
1 1 1 6  53 9  o 3.636000       0.7909000     131.0379      64.4   
1 1 1 6  53 10 o 2.068000       0.6568000     ?             ?      
1 1 1 6  53 11 o 0.5043000      0.8751000     ?             ?      
1 1 1 6  53 12 o -1.363000      1.311000      ?             ?      
1 1 1 6  53 13 o 4.668000       1.352000      ?             ?      
1 1 1 6  53 14 o -0.4805000     1.294000      ?             ?      
1 1 1 6  53 15 o 3.006000       1.710000      ?             ?      
1 1 1 6  53 16 o 3.937000       1.355000      ?             ?      
1 1 1 6  53 17 o 0.8945000      1.716000      ?             ?      
1 1 1 6  53 18 o 5.753000       1.740000      ?             ?      
1 1 1 6  53 19 o -0.6997000     1.709000      ?             ?      
1 1 1 6  53 20 o -0.4048000     1.707000      ?             ?      
1 1 1 6  53 21 f 7.843000       1.814000      ?             ?      
1 1 1 6  53 22 o 0.5985000      1.758000      ?             ?      
1 1 1 6  53 23 o 1.784000       2.033000      ?             ?      
1 1 1 6  53 24 o -0.4260000     3.222000      ?             ?      
1 1 1 6  53 25 o 4.494000       3.867000      ?             ?      
1 1 1 6  53 26 o 0.9768000      2.330000      ?             ?      
1 1 1 6  53 27 o 4.100000       1.804000      ?             ?      
1 1 1 6  53 28 o -0.4422000     1.793000      ?             ?      
1 1 1 6  53 29 o 2.650000       1.836000      ?             ?      
1 1 1 6  53 30 o 1.842000       1.826000      ?             ?      
1 1 1 6  53 31 o 2.753000       1.834000      ?             ?      
1 1 1 6  53 32 o 2.905000       1.854000      ?             ?      
1 1 1 6  53 33 o 2.436000       1.861000      ?             ?      
1 1 1 6  53 34 o -3.979000      1.849000      ?             ?      
1 1 1 6  53 35 o 4.018000       1.896000      ?             ?      
1 1 1 6  53 36 o 1.553000       1.885000      ?             ?      
1 1 1 6  53 37 o 4.802000       1.941000      ?             ?      
1 1 1 6  53 38 o -3.107000      2.287000      ?             ?      
1 1 1 6  53 39 o 2.353000       3.905000      ?             ?      
1 1 1 6  53 40 o 0.4286000      4.092000      ?             ?      
1 1 1 6  53 41 o 2.384000       1.975000      ?             ?      
1 1 1 6  53 42 o 7.477000       2.066000      ?             ?      
1 1 1 6  53 43 o 0.7243000      1.986000      ?             ?      
1 1 1 6  53 44 o -1.345000      2.015000      ?             ?      
1 1 1 6  53 45 o 0.4448000      2.458000      ?             ?      
1 1 1 6  53 46 o 3.219000       2.464000      ?             ?      
1 1 1 6  54 0  o 4.564000       1.398000      ?             ?      
1 1 1 6  54 1  o -2.145000      0.9555000     ?             ?      
1 1 1 6  54 2  o -0.1067000     0.9465000     ?             ?      
1 1 1 6  54 3  o 2.613000       0.9406000     ?             ?      
1 1 1 6  54 4  o 3.589000       1.048000      ?             ?      
1 1 1 6  54 5  o 4.543000       1.114000      ?             ?      
1 1 1 6  54 6  o 1.438000       0.8327000     ?             ?      
1 1 1 6  54 7  o -2.247000      1.679000      ?             ?      
1 1 1 6  54 8  o -1.054000      1.005000      ?             ?      
1 1 1 6  54 9  o -0.3985000     0.7226000     ?             ?      
1 1 1 6  54 10 o -0.3883000     0.5950000     ?             ?      
1 1 1 6  54 11 o 1.682000       0.8728000     ?             ?      
1 1 1 6  54 12 o 2.178000       1.043000      ?             ?      
1 1 1 6  54 13 o 0.5671000      1.731000      ?             ?      
1 1 1 6  54 14 o 1.529000       1.717000      ?             ?      
1 1 1 6  54 15 o 7.472000       2.035000      ?             ?      
1 1 1 6  54 16 o 6.258000       2.024000      ?             ?      
1 1 1 6  54 17 o 2.492000       1.670000      ?             ?      
1 1 1 6  54 18 o 2.967000       1.686000      ?             ?      
1 1 1 6  54 19 o 2.265000       1.692000      ?             ?      
1 1 1 6  54 20 o 0.7545000      1.686000      ?             ?      
1 1 1 6  54 21 o -0.1904000     1.927000      ?             ?      
1 1 1 6  54 22 o -1.090000      1.713000      ?             ?      
1 1 1 6  54 23 o -2.897000      2.017000      ?             ?      
1 1 1 6  54 24 o -2.049000      2.536000      ?             ?      
1 1 1 6  54 25 o 2.736000       2.365000      ?             ?      
1 1 1 6  54 26 o -0.8818000     1.783000      ?             ?      
1 1 1 6  54 27 o 0.7163000      1.784000      ?             ?      
1 1 1 6  54 28 o -2.204000      1.798000      ?             ?      
1 1 1 6  54 29 o 1.463000       1.807000      ?             ?      
1 1 1 6  54 30 o 1.363000       1.827000      ?             ?      
1 1 1 6  54 31 o 2.270000       1.824000      ?             ?      
1 1 1 6  54 32 o 3.721000       1.862000      ?             ?      
1 1 1 6  54 33 o 0.6846000      1.849000      ?             ?      
1 1 1 6  54 34 o 0.7512000      1.876000      ?             ?      
1 1 1 6  54 35 o 1.375000       1.904000      ?             ?      
1 1 1 6  54 36 o -0.3494000     1.873000      ?             ?      
1 1 1 6  54 37 o -0.9620000     2.268000      ?             ?      
1 1 1 6  54 38 o 1.924000       3.801000      ?             ?      
1 1 1 6  54 39 o 2.074000       4.383000      ?             ?      
1 1 1 6  54 40 o 1.749000       2.574000      ?             ?      
1 1 1 6  54 41 o -1.368000      1.973000      ?             ?      
1 1 1 6  54 42 o 1.793000       2.008000      ?             ?      
1 1 1 6  54 43 o -0.2363000     2.427000      ?             ?      
1 1 1 6  54 44 o 2.993000       2.489000      ?             ?      
1 1 1 6  54 45 o -2.361000      2.743000      ?             ?      
1 1 1 6  55 0  o 3.446000       1.299000      ?             ?      
1 1 1 6  55 1  o 0.8966000      0.9174000     ?             ?      
1 1 1 6  55 2  o 6.610000       1.037000      ?             ?      
1 1 1 6  55 3  o 4.084000       0.9295000     ?             ?      
1 1 1 6  55 4  o 1.778000       0.9989000     ?             ?      
1 1 1 6  55 5  o -0.9825000     1.069000      ?             ?      
1 1 1 6  55 6  o 3.397000       0.8389000     ?             ?      
1 1 1 6  55 7  o 4.026000       1.653000      ?             ?      
1 1 1 6  55 8  o -0.5560000     1.018000      ?             ?      
1 1 1 6  55 9  o 1.536000       0.7453000     ?             ?      
1 1 1 6  55 10 o -0.3712000E-01 0.5762000     ?             ?      
1 1 1 6  55 11 o 0.3383000      0.9028000     ?             ?      
1 1 1 6  55 12 o 0.6006000      1.291000      ?             ?      
1 1 1 6  55 13 o 5.076000       1.422000      ?             ?      
1 1 1 6  55 14 o 0.9857000      1.826000      ?             ?      
1 1 1 6  55 15 o -3.824000      2.275000      ?             ?      
1 1 1 6  55 16 o -1.126000      2.264000      ?             ?      
1 1 1 6  55 17 o -0.1995000     1.961000      ?             ?      
1 1 1 6  55 18 o 0.4810000      2.194000      ?             ?      
1 1 1 6  55 19 o 1.356000       1.941000      ?             ?      
1 1 1 6  55 20 o 0.3007000      1.932000      ?             ?      
1 1 1 6  55 21 o 2.027000       1.683000      ?             ?      
1 1 1 6  55 22 o 0.3844000      2.032000      ?             ?      
1 1 1 6  55 23 o -1.115000      3.362000      ?             ?      
1 1 1 6  55 24 o 5.161000       3.946000      ?             ?      
1 1 1 6  55 25 o 2.045000       2.373000      ?             ?      
1 1 1 6  55 26 o -0.2793000     1.774000      ?             ?      
1 1 1 6  55 27 o 1.170000       1.808000      ?             ?      
1 1 1 6  55 28 o 2.606000       1.824000      ?             ?      
1 1 1 6  55 29 o 2.501000       1.838000      ?             ?      
1 1 1 6  55 30 o -0.8814000E-01 1.827000      ?             ?      
1 1 1 6  55 31 o 2.046000       1.822000      ?             ?      
1 1 1 6  55 32 o -0.2597000     1.837000      ?             ?      
1 1 1 6  55 33 o 1.556000       1.856000      ?             ?      
1 1 1 6  55 34 o 0.6709000      1.870000      ?             ?      
1 1 1 6  55 35 o 1.256000       1.901000      ?             ?      
1 1 1 6  55 36 o 2.745000       1.927000      ?             ?      
1 1 1 6  55 37 o -0.7802000     2.315000      ?             ?      
1 1 1 6  55 38 o 0.3883000      3.894000      ?             ?      
1 1 1 6  55 39 o 5.608000       4.253000      ?             ?      
1 1 1 6  55 40 o 1.076000       2.004000      ?             ?      
1 1 1 6  55 41 o -1.358000      2.386000      ?             ?      
1 1 1 6  55 42 o 7.336000       4.098000      ?             ?      
1 1 1 6  55 43 o -1.088000      2.422000      ?             ?      
1 1 1 6  56 0  o 1.161000       1.231000      ?             ?      
1 1 1 6  56 1  o 2.034000       0.8896000     ?             ?      
1 1 1 6  56 2  o 2.744000       0.8906000     ?             ?      
1 1 1 6  56 3  o 3.943000       0.9080000     ?             ?      
1 1 1 6  56 4  o 1.068000       0.9690000     ?             ?      
1 1 1 6  56 5  o 2.434000       1.043000      ?             ?      
1 1 1 6  56 6  o 1.077000       0.8067000     ?             ?      
1 1 1 6  56 7  o 3.519000       0.9514000     ?             ?      
1 1 1 6  56 8  o -0.5033000     0.9143000     ?             ?      
1 1 1 6  56 9  o 1.804000       0.7524000     ?             ?      
1 1 1 6  56 10 o 0.6238000      0.5621000     ?             ?      
1 1 1 6  56 11 o 1.439000       0.6879000     ?             ?      
1 1 1 6  56 12 o 1.048000       1.248000      ?             ?      
1 1 1 6  56 13 o -1.105000      1.206000      ?             ?      
1 1 1 6  56 14 o 2.836000       1.245000      ?             ?      
1 1 1 6  56 15 o 1.081000       2.065000      ?             ?      
1 1 1 6  56 16 o -1.078000      2.078000      ?             ?      
1 1 1 6  56 17 o -2.708000      2.091000      ?             ?      
1 1 1 6  56 18 o 2.041000       2.186000      ?             ?      
1 1 1 6  56 19 o -3.341000      2.244000      ?             ?      
1 1 1 6  56 20 o 1.024000       2.262000      ?             ?      
1 1 1 6  56 21 o -0.4205000     2.038000      ?             ?      
1 1 1 6  56 22 o -0.4318000     2.294000      ?             ?      
1 1 1 6  56 23 o -0.4711000     2.590000      ?             ?      
1 1 1 6  56 24 o 4.034000       2.540000      ?             ?      
1 1 1 6  56 25 o 0.5004000      1.787000      ?             ?      
1 1 1 6  56 26 o 1.699000       1.801000      ?             ?      
1 1 1 6  56 27 o -2.497000      1.782000      ?             ?      
1 1 1 6  56 28 o 1.378000       1.809000      ?             ?      
1 1 1 6  56 29 o 1.837000       1.812000      ?             ?      
1 1 1 6  56 30 o -2.330000      1.815000      ?             ?      
1 1 1 6  56 31 o -0.5832000E-01 1.832000      ?             ?      
1 1 1 6  56 32 o 4.741000       1.868000      ?             ?      
1 1 1 6  56 33 o 0.7550000      1.879000      ?             ?      
1 1 1 6  56 34 o -2.729000      1.887000      ?             ?      
1 1 1 6  56 35 o -3.115000      1.897000      ?             ?      
1 1 1 6  56 36 o 0.1476000      2.310000      ?             ?      
1 1 1 6  56 37 o 0.7425000      2.816000      ?             ?      
1 1 1 6  56 38 o 6.255000       4.414000      ?             ?      
1 1 1 6  56 39 < 0.000000       -1.000000     ?             ?      
1 1 1 6  56 40 o 0.2015000E-01  2.419000      ?             ?      
1 1 1 6  56 41 o 0.2892000      2.438000      ?             ?      
1 1 1 6  56 42 o -0.7139000     2.457000      ?             ?      
1 1 1 6  57 0  o -1.248000      1.218000      ?             ?      
1 1 1 6  57 1  o -0.5835000     0.8710000     ?             ?      
1 1 1 6  57 2  o -1.520000      0.8867000     ?             ?      
1 1 1 6  57 3  o 2.143000       0.9296000     ?             ?      
1 1 1 6  57 4  o 2.894000       0.9630000     ?             ?      
1 1 1 6  57 5  o 1.427000       1.023000      ?             ?      
1 1 1 6  57 6  o 1.228000       0.9590000     ?             ?      
1 1 1 6  57 7  o 0.8234000E-01  0.8550000     ?             ?      
1 1 1 6  57 8  o 0.3390000      0.9237000     ?             ?      
1 1 1 6  57 9  o -0.3308000     0.7095000     ?             ?      
1 1 1 6  57 10 o 1.564000       0.5503000     ?             ?      
1 1 1 6  57 11 o 1.722000       1.342000      ?             ?      
1 1 1 6  57 12 o -0.1842000     1.226000      ?             ?      
1 1 1 6  57 13 o -0.5710000     1.199000      ?             ?      
1 1 1 6  57 14 o -0.8871000     1.200000      ?             ?      
1 1 1 6  57 15 o 1.145000       1.223000      ?             ?      
1 1 1 6  57 16 o 3.304000       1.639000      ?             ?      
1 1 1 6  57 17 o 3.990000       1.669000      ?             ?      
1 1 1 6  57 18 o 1.197000       1.676000      ?             ?      
1 1 1 6  57 19 o 0.3849000      2.160000      ?             ?      
1 1 1 6  57 20 o 1.734000       2.203000      ?             ?      
1 1 1 6  57 21 o 0.2110000E-01  2.448000      ?             ?      
1 1 1 6  57 24 o 0.5018000      2.374000      ?             ?      
1 1 1 6  57 25 o 1.553000       2.159000      ?             ?      
1 1 1 6  57 26 o -1.813000      2.415000      ?             ?      
1 1 1 6  57 27 o -2.212000      2.119000      ?             ?      
1 1 1 6  57 28 o 1.729000       2.155000      ?             ?      
1 1 1 6  57 29 o -0.5589000     2.148000      ?             ?      
1 1 1 6  57 30 o 1.556000       1.853000      ?             ?      
1 1 1 6  57 31 o 0.7862000      1.864000      ?             ?      
1 1 1 6  57 32 o -0.6887000     1.875000      ?             ?      
1 1 1 6  57 33 o 1.546000       1.913000      ?             ?      
1 1 1 6  57 34 o 1.679000       1.922000      ?             ?      
1 1 1 6  57 35 o 6.006000       2.004000      ?             ?      
1 1 1 6  57 36 o 0.8594000      2.378000      ?             ?      
1 1 1 6  57 37 o 2.382000       4.006000      ?             ?      
1 1 1 6  57 38 o -1.298000      2.779000      ?             ?      
1 1 1 6  57 39 o -0.4455000     2.422000      ?             ?      
1 1 1 6  57 40 o -1.321000      2.468000      ?             ?      
1 1 1 6  58 0  o 9.540000       1.341000      ?             ?      
1 1 1 6  58 1  o 2.554000       0.8792000     ?             ?      
1 1 1 6  58 2  o -0.4575000     0.8381000     ?             ?      
1 1 1 6  58 3  o -0.2489000     0.9087000     ?             ?      
1 1 1 6  58 4  o -0.9144000     0.8311000     ?             ?      
1 1 1 6  58 5  o -0.6990000     1.006000      ?             ?      
1 1 1 6  58 6  o 0.5439000      0.9763000     ?             ?      
1 1 1 6  58 7  o 4.586000       1.273000      ?             ?      
1 1 1 6  58 8  o 0.2673000E-01  0.9050000     ?             ?      
1 1 1 6  58 9  o 0.3697000      0.6865000     ?             ?      
1 1 1 6  58 10 o 0.9774000      0.5330000     ?             ?      
1 1 1 6  58 11 o 1.667000       1.324000      ?             ?      
1 1 1 6  58 12 o 0.9182000      1.223000      ?             ?      
1 1 1 6  58 13 o 1.794000       1.224000      ?             ?      
1 1 1 6  58 14 o 2.293000       1.584000      ?             ?      
1 1 1 6  58 15 o -0.6683000E-01 1.579000      ?             ?      
1 1 1 6  58 16 o 2.381000       1.628000      ?             ?      
1 1 1 6  58 17 o 5.874000       1.698000      ?             ?      
1 1 1 6  58 18 o 6.963000       1.758000      ?             ?      
1 1 1 6  58 19 o 2.000000       1.717000      ?             ?      
1 1 1 6  58 20 o -1.506000      1.698000      ?             ?      
1 1 1 6  58 21 o -0.6341000     2.084000      ?             ?      
1 1 1 6  58 22 o -6.089000      2.569000      ?             ?      
1 1 1 6  58 23 o 0.6250000E-01  2.672000      ?             ?      
1 1 1 6  58 24 o -0.2334000     2.284000      ?             ?      
1 1 1 6  58 25 o 4.974000       2.310000      ?             ?      
1 1 1 6  58 26 o 3.105000       2.343000      ?             ?      
1 1 1 6  58 27 o 0.6324000      2.509000      ?             ?      
1 1 1 6  58 28 o -0.3874000     2.537000      ?             ?      
1 1 1 6  58 29 o -1.898000      2.227000      ?             ?      
1 1 1 6  58 30 o -5.384000      2.480000      ?             ?      
1 1 1 6  58 31 o 1.400000       3.415000      ?             ?      
1 1 1 6  58 32 o -0.7840000     2.552000      ?             ?      
1 1 1 6  58 33 o 1.541000       2.586000      ?             ?      
1 1 1 6  58 34 o 5.829000       3.894000      ?             ?      
1 1 1 6  58 35 o -1.037000      2.378000      ?             ?      
1 1 1 6  58 36 o 2.664000       3.927000      ?             ?      
1 1 1 6  58 38 o -0.5294000     2.739000      ?             ?      
1 1 1 6  59 0  o 0.5862000      1.212000      ?             ?      
1 1 1 6  59 1  o 1.087000       0.8650000     ?             ?      
1 1 1 6  59 2  o 4.764000       0.8750000     ?             ?      
1 1 1 6  59 3  o 0.1123000      0.8382000     ?             ?      
1 1 1 6  59 4  o 0.7525000      0.8127000     ?             ?      
1 1 1 6  59 5  o 0.5562000      0.9933000     ?             ?      
1 1 1 6  59 6  o 0.9986000      0.9147000     ?             ?      
1 1 1 6  59 7  o 0.6470000      0.8254000     ?             ?      
1 1 1 6  59 8  o 1.420000       0.8810000     ?             ?      
1 1 1 6  59 9  o -1.028000      0.7405000     ?             ?      
1 1 1 6  59 10 o 0.4504000      0.5179000     ?             ?      
1 1 1 6  59 11 o 0.8578000      1.311000      ?             ?      
1 1 1 6  59 12 o 1.769000       1.217000      ?             ?      
1 1 1 6  59 13 o 1.599000       1.212000      ?             ?      
1 1 1 6  59 14 o 4.332000       1.604000      ?             ?      
1 1 1 6  59 15 o 3.115000       1.623000      ?             ?      
1 1 1 6  59 16 o 1.887000       1.612000      ?             ?      
1 1 1 6  59 17 o 0.5387000      1.635000      ?             ?      
1 1 1 6  59 18 o 2.218000       1.684000      ?             ?      
1 1 1 6  59 19 o 4.022000       1.708000      ?             ?      
1 1 1 6  59 20 o 0.2416000      2.015000      ?             ?      
1 1 1 6  59 21 o 4.980000       3.431000      ?             ?      
1 1 1 6  59 22 o -1.750000      3.756000      ?             ?      
1 1 1 6  59 23 o 0.1526000      2.229000      ?             ?      
1 1 1 6  59 24 o -2.171000      1.760000      ?             ?      
1 1 1 6  59 25 o -4.912000      1.756000      ?             ?      
1 1 1 6  59 26 o -1.269000      1.815000      ?             ?      
1 1 1 6  59 27 o 0.9891000      2.350000      ?             ?      
1 1 1 6  59 28 o 4.214000       2.689000      ?             ?      
1 1 1 6  59 29 o 0.1200000      2.709000      ?             ?      
1 1 1 6  59 30 o -0.9724000     2.596000      ?             ?      
1 1 1 6  59 31 o 1.019000       2.596000      ?             ?      
1 1 1 6  59 32 o -0.7949000     2.618000      ?             ?      
1 1 1 6  59 33 o 1.035000       2.684000      ?             ?      
1 1 1 6  59 34 o -1.314000      2.345000      ?             ?      
1 1 1 6  59 35 o 2.996000       2.690000      ?             ?      
1 1 1 6  59 36 o 0.1741000      4.103000      ?             ?      
1 1 1 6  60 0  o 0.5984000      1.170000      ?             ?      
1 1 1 6  60 1  o -0.4414000E-01 0.8238000     ?             ?      
1 1 1 6  60 2  o -1.336000      0.9024000     ?             ?      
1 1 1 6  60 3  o 2.135000       0.8319000     ?             ?      
1 1 1 6  60 4  o 2.323000       0.8386000     ?             ?      
1 1 1 6  60 5  o -0.9144000     1.275000      ?             ?      
1 1 1 6  60 6  o 0.1009000      0.8946000     ?             ?      
1 1 1 6  60 7  o 0.6646000      0.8520000     ?             ?      
1 1 1 6  60 8  o 0.1040000      0.8125000     ?             ?      
1 1 1 6  60 9  o 0.4130000      0.7272000     ?             ?      
1 1 1 6  60 10 o 0.9056000      0.5073000     ?             ?      
1 1 1 6  60 11 o -1.445000      1.311000      ?             ?      
1 1 1 6  60 12 o -1.101000      1.206000      ?             ?      
1 1 1 6  60 13 o 0.3507000      1.204000      ?             ?      
1 1 1 6  60 14 o -2.249000      1.587000      ?             ?      
1 1 1 6  60 15 o 2.392000       1.625000      ?             ?      
1 1 1 6  60 16 o -0.7258000     1.604000      ?             ?      
1 1 1 6  60 17 o 2.609000       1.647000      ?             ?      
1 1 1 6  60 18 o 1.332000       1.680000      ?             ?      
1 1 1 6  60 19 o -1.114000      2.006000      ?             ?      
1 1 1 6  60 20 o -3.436000      2.038000      ?             ?      
1 1 1 6  60 21 o 2.669000       2.660000      ?             ?      
1 1 1 6  60 22 o 0.5141000      2.291000      ?             ?      
1 1 1 6  60 23 o 3.075000       1.772000      ?             ?      
1 1 1 6  60 24 o 0.5627000      2.112000      ?             ?      
1 1 1 6  60 25 o 1.962000       2.161000      ?             ?      
1 1 1 6  60 26 o 2.249000       2.174000      ?             ?      
1 1 1 6  60 27 o 1.736000       2.189000      ?             ?      
1 1 1 6  60 28 o 2.136000       2.280000      ?             ?      
1 1 1 6  60 29 o -3.416000      2.284000      ?             ?      
1 1 1 6  60 30 o 1.907000       2.276000      ?             ?      
1 1 1 6  60 31 o 3.815000       2.362000      ?             ?      
1 1 1 6  60 32 o 0.6540000      2.810000      ?             ?      
1 1 1 6  60 33 o 1.569000       2.874000      ?             ?      
1 1 1 6  60 34 o -2.357000      2.876000      ?             ?      
1 1 1 6  61 0  o -0.1802000E-01 1.155000      ?             ?      
1 1 1 6  61 1  o -0.4890000     0.8133000     ?             ?      
1 1 1 6  61 2  o -0.3437000     0.8833000     ?             ?      
1 1 1 6  61 3  o 0.1455000      0.7995000     ?             ?      
1 1 1 6  61 4  o -0.9726000     0.8134000     ?             ?      
1 1 1 6  61 5  f 1.314000       1.074000      ?             ?      
1 1 1 6  61 6  o 0.2500000E-01  0.8873000     ?             ?      
1 1 1 6  61 7  o -0.7238000     0.7143000     ?             ?      
1 1 1 6  61 8  o 0.9509000      0.8212000     ?             ?      
1 1 1 6  61 9  o 0.9932000      0.7415000     ?             ?      
1 1 1 6  61 10 o 0.1595000      0.6159000     ?             ?      
1 1 1 6  61 11 o 2.942000       1.367000      ?             ?      
1 1 1 6  61 12 o 5.753000       1.308000      ?             ?      
1 1 1 6  61 13 o 0.8981000      1.585000      ?             ?      
1 1 1 6  61 14 o -1.787000      1.218000      ?             ?      
1 1 1 6  61 15 o 2.383000       1.925000      ?             ?      
1 1 1 6  61 16 f 0.6390000      1.938000      ?             ?      
1 1 1 6  61 17 o -1.418000      1.945000      ?             ?      
1 1 1 6  61 18 o 0.2617000      1.983000      ?             ?      
1 1 1 6  61 19 o -0.9678000     2.029000      ?             ?      
1 1 1 6  61 20 o -0.8649000E-01 3.406000      ?             ?      
1 1 1 6  61 22 o -0.6567000     2.333000      ?             ?      
1 1 1 6  61 23 o -2.363000      2.104000      ?             ?      
1 1 1 6  61 24 o -1.233000      2.102000      ?             ?      
1 1 1 6  61 25 o 0.2950000      2.164000      ?             ?      
1 1 1 6  61 26 o -1.926000      2.187000      ?             ?      
1 1 1 6  61 27 o -0.2072000     2.201000      ?             ?      
1 1 1 6  61 28 o 0.8455000E-01  2.243000      ?             ?      
1 1 1 6  61 29 o 1.954000       2.281000      ?             ?      
1 1 1 6  61 30 o -2.172000      2.273000      ?             ?      
1 1 1 6  61 31 o -1.031000      3.812000      ?             ?      
1 1 1 6  62 0  o -1.226000      1.164000      ?             ?      
1 1 1 6  62 1  o 1.777000       0.8204000     ?             ?      
1 1 1 6  62 2  o 0.6340000      0.8894000     ?             ?      
1 1 1 6  62 3  o 0.4549000      0.8138000     ?             ?      
1 1 1 6  62 4  o 0.7777000      0.8263000     ?             ?      
1 1 1 6  62 5  o 1.283000       1.077000      ?             ?      
1 1 1 6  62 6  o 0.1848000      0.8778000     ?             ?      
1 1 1 6  62 7  o 0.3740000E-01  0.7175000     ?             ?      
1 1 1 6  62 8  o -0.5245000     0.8008000     ?             ?      
1 1 1 6  62 9  o -1.201000      0.7398000     ?             ?      
1 1 1 6  62 10 o -0.4012000     0.5824000     ?             ?      
1 1 1 6  62 11 o -0.6572000     1.685000      ?             ?      
1 1 1 6  62 12 o -2.062000      1.594000      ?             ?      
1 1 1 6  62 13 o 0.2495000      1.899000      ?             ?      
1 1 1 6  62 14 o 0.3952000E-01  1.921000      ?             ?      
1 1 1 6  62 15 o 1.576000       1.907000      ?             ?      
1 1 1 6  62 16 o 0.5238000      1.975000      ?             ?      
1 1 1 6  62 17 o 1.438000       2.005000      ?             ?      
1 1 1 6  62 18 o 1.395000       2.063000      ?             ?      
1 1 1 6  62 19 o 3.289000       2.096000      ?             ?      
1 1 1 6  62 20 o 3.084000       3.454000      ?             ?      
1 1 1 6  62 21 o -6.035000      2.982000      ?             ?      
1 1 1 6  62 22 o -0.1250000     2.112000      ?             ?      
1 1 1 6  62 23 o -2.593000      2.114000      ?             ?      
1 1 1 6  62 24 o 2.456000       2.442000      ?             ?      
1 1 1 6  62 25 o 3.348000       2.440000      ?             ?      
1 1 1 6  62 26 o -0.8850000E-01 2.214000      ?             ?      
1 1 1 6  62 27 o 4.663000       2.253000      ?             ?      
1 1 1 6  62 28 o -1.587000      3.677000      ?             ?      
1 1 1 6  63 0  o -0.1064000     1.167000      ?             ?      
1 1 1 6  63 1  o 1.724000       0.8306000     ?             ?      
1 1 1 6  63 2  o 0.8264000      0.9035000     ?             ?      
1 1 1 6  63 3  o 1.553000       0.8437000     ?             ?      
1 1 1 6  63 4  o 1.464000       0.8223000     ?             ?      
1 1 1 6  63 5  o 0.5730000E-01  1.075000      ?             ?      
1 1 1 6  63 6  o 0.2229000      0.8850000     ?             ?      
1 1 1 6  63 7  o -0.1761000E-01 0.6978000     ?             ?      
1 1 1 6  63 8  o 0.7489000      0.7946000     ?             ?      
1 1 1 6  63 9  o -0.5971000     0.7196000     ?             ?      
1 1 1 6  63 10 o 3.863000       1.648000      ?             ?      
1 1 1 6  63 11 o 0.2395000      1.632000      ?             ?      
1 1 1 6  63 12 o 0.2913000      0.8363000     ?             ?      
1 1 1 6  63 13 o 1.620000       1.922000      ?             ?      
1 1 1 6  63 14 o -4.299000      1.957000      ?             ?      
1 1 1 6  63 15 o 0.5259000      1.982000      ?             ?      
1 1 1 6  63 16 o -0.2760000     2.015000      ?             ?      
1 1 1 6  63 17 o 2.034000       2.037000      ?             ?      
1 1 1 6  63 18 o 1.344000       2.051000      ?             ?      
1 1 1 6  63 19 o 3.489000       2.544000      ?             ?      
1 1 1 6  63 21 o 3.507000       2.395000      ?             ?      
1 1 1 6  63 22 o -0.1595000     2.141000      ?             ?      
1 1 1 6  63 23 o 2.493000       2.230000      ?             ?      
1 1 1 6  63 24 o 1.048000       2.204000      ?             ?      
1 1 1 6  63 25 o -1.836000      2.197000      ?             ?      
1 1 1 6  64 0  o 1.277000       1.170000      ?             ?      
1 1 1 6  64 1  o 1.075000       0.9113000     ?             ?      
1 1 1 6  64 2  o 0.7696000      0.8306000     ?             ?      
1 1 1 6  64 3  o -0.6890000     0.8625000     ?             ?      
1 1 1 6  64 4  o 1.263000       0.8701000     ?             ?      
1 1 1 6  64 5  o -0.8802000     1.081000      ?             ?      
1 1 1 6  64 6  o -0.3929000     0.9531000     ?             ?      
1 1 1 6  64 7  o 2.574000       0.7209000     ?             ?      
1 1 1 6  64 8  o 2.507000       1.541000      ?             ?      
1 1 1 6  64 9  o -0.5734000     0.6016000     ?             ?      
1 1 1 6  64 10 o -0.9568000     1.588000      ?             ?      
1 1 1 6  64 11 o 1.274000       1.596000      ?             ?      
1 1 1 6  64 12 o -0.1797000     1.550000      ?             ?      
1 1 1 6  64 13 o -1.379000      1.877000      ?             ?      
1 1 1 6  64 14 o 0.1841000      1.935000      ?             ?      
1 1 1 6  64 15 o 0.4129000      1.964000      ?             ?      
1 1 1 6  64 16 o 1.398000       2.046000      ?             ?      
1 1 1 6  64 17 o -2.231000      2.029000      ?             ?      
1 1 1 6  64 18 o 0.2857000      2.092000      ?             ?      
1 1 1 6  64 19 o 0.9605000      3.483000      ?             ?      
1 1 1 6  64 20 o 1.055000       3.101000      ?             ?      
1 1 1 6  64 21 o 3.046000       2.448000      ?             ?      
1 1 1 6  64 22 o 3.557000       2.224000      ?             ?      
1 1 1 6  65 0  o 0.2047000      1.180000      ?             ?      
1 1 1 6  65 1  o 0.3259000      0.9157000     ?             ?      
1 1 1 6  65 2  o 3.199000       0.8666000     ?             ?      
1 1 1 6  65 3  o 2.473000       0.8871000     ?             ?      
1 1 1 6  65 4  o 1.451000       0.8706000     ?             ?      
1 1 1 6  65 5  o -0.5773000     1.233000      ?             ?      
1 1 1 6  65 6  o 0.9590000      0.9468000     ?             ?      
1 1 1 6  65 7  o 1.582000       0.7354000     ?             ?      
1 1 1 6  65 8  o 0.5720000      1.167000      ?             ?      
1 1 1 6  65 9  o 0.2327000      0.5917000     ?             ?      
1 1 1 6  65 10 o 0.3712000      1.617000      ?             ?      
1 1 1 6  65 11 o 1.404000       1.563000      ?             ?      
1 1 1 6  65 12 o -1.108000      1.815000      ?             ?      
1 1 1 6  65 13 o 0.5850000      1.515000      ?             ?      
1 1 1 6  65 14 o 1.026000       1.922000      ?             ?      
1 1 1 6  65 15 o 5.465000       2.031000      ?             ?      
1 1 1 6  65 16 o -1.970000      2.014000      ?             ?      
1 1 1 6  65 17 o 2.861000       2.062000      ?             ?      
1 1 1 6  65 18 o -5.074000      2.491000      ?             ?      
1 1 1 6  66 0  o -0.2853000     1.193000      ?             ?      
1 1 1 6  66 1  o -2.101000      0.9099000     ?             ?      
1 1 1 6  66 2  o -1.399000      0.8535000     ?             ?      
1 1 1 6  66 3  o -1.057000      0.8727000     ?             ?      
1 1 1 6  66 4  o -1.385000      0.8635000     ?             ?      
1 1 1 6  66 5  o 1.009000       1.060000      ?             ?      
1 1 1 6  66 6  o 0.1912000      0.9406000     ?             ?      
1 1 1 6  66 7  o 0.4646000      0.7013000     ?             ?      
1 1 1 6  66 8  o -3.202000      1.517000      ?             ?      
1 1 1 6  66 9  o 0.9877000      0.6922000     ?             ?      
1 1 1 6  66 10 o 0.6677000      1.635000      ?             ?      
1 1 1 6  66 11 o 0.4907000      0.9306000     ?             ?      
1 1 1 6  66 12 o -0.1349000E-02 1.860000      ?             ?      
1 1 1 7  0  1  o 0.3814000      0.1931000     185.5436      -90.0  
1 1 1 7  0  2  o -0.7499000E-01 0.1902000     127.4397      -180.0 
1 1 1 7  0  3  o 0.1548000      0.1963000     267.7967      90.0   
1 1 1 7  0  4  o 0.1428000      0.2167000     155.7827      180.0  
1 1 1 7  0  5  o 1.012000       0.2532000     97.19173      -90.0  
1 1 1 7  0  6  o 0.7848000      0.2742000     120.1477      180.0  
1 1 1 7  0  7  o 0.4728000      0.3131000     35.73359      90.0   
1 1 1 7  0  8  o 1.150000       0.3470000     83.90339      0.0    
1 1 1 7  0  9  o 0.4387000      0.3816000     133.5745      90.0   
1 1 1 7  0  10 o 3.213000       0.4437000     97.86638      180.0  
1 1 1 7  0  11 o 5.099000       0.4999000     210.4760      90.0   
1 1 1 7  0  12 o 5.071000       0.6148000     254.7418      -0.0   
1 1 1 7  0  13 o 0.3079000      0.6063000     87.81650      -90.0  
1 1 1 7  0  14 o 1.142000       1.047000      189.0031      -180.0 
1 1 1 7  0  15 o 0.6274000      1.383000      195.9867      90.0   
1 1 1 7  0  16 o -1.033000      0.9118000     96.89870      -180.0 
1 1 1 7  0  17 o 4.095000       0.6969000     30.20779      -90.0  
1 1 1 7  0  18 o 1.689000       0.7036000     162.8872      180.0  
1 1 1 7  0  19 o 1.371000       0.7385000     257.2874      -90.0  
1 1 1 7  0  20 o 0.3858000      0.7630000     48.52942      -180.0 
1 1 1 7  0  21 o 27.86000       1.440000      295.9347      90.0   
1 1 1 7  0  22 o 0.4663000      0.8481000     27.59181      -180.0 
1 1 1 7  0  23 o 6.936000       0.9247000     247.2165      -90.0  
1 1 1 7  0  24 o 2.542000       0.9335000     278.1332      -0.0   
1 1 1 7  0  25 o 11.18000       1.078000      132.6546      -90.0  
1 1 1 7  0  26 o 50.44000       2.743000      599.2704      -0.0   
1 1 1 7  0  27 o 1.050000       1.106000      153.4178      -90.0  
1 1 1 7  0  28 o 1.933000       1.194000      188.1599      -180.0 
1 1 1 7  0  29 o 3.627000       1.270000      386.3917      -90.0  
1 1 1 7  0  30 o 15.70000       1.474000      601.1007      0.0    
1 1 1 7  0  31 o 12.19000       1.539000      522.5335      90.0   
1 1 1 7  0  32 o 31.79000       1.935000      628.6445      180.0  
1 1 1 7  0  33 o 45.09000       3.182000      817.1025      -90.0  
1 1 1 7  0  35 o 9.874000       2.506000      316.5157      -90.0  
1 1 1 7  0  36 o 3.919000       1.723000      269.5595      0.0    
1 1 1 7  0  37 o 6.977000       1.715000      177.8285      90.0   
1 1 1 7  0  38 o 6.969000       1.616000      320.1481      180.0  
1 1 1 7  0  39 o 4.428000       1.574000      295.0732      90.0   
1 1 1 7  0  40 o 5.749000       1.552000      57.65672      180.0  
1 1 1 7  0  41 o 2.370000       1.497000      90.59759      90.0   
1 1 1 7  0  42 o 3.504000       1.475000      83.76764      -0.0   
1 1 1 7  0  43 o 3.033000       1.472000      353.2153      90.0   
1 1 1 7  0  44 f 1.279000       1.633000      45.63296      -0.0   
1 1 1 7  0  45 o -0.7670000     1.482000      63.76040      90.0   
1 1 1 7  0  46 o 5.400000       2.372000      482.9656      -180.0 
1 1 1 7  0  47 o 7.009000       2.392000      371.4690      -90.0  
1 1 1 7  0  48 o 1.756000       1.586000      65.58488      0.0    
1 1 1 7  0  49 o 7.690000       1.818000      86.81573      90.0   
1 1 1 7  0  50 o 0.6027000E-01  2.261000      158.1321      180.0  
1 1 1 7  0  51 o 7.662000       3.798000      235.8383      90.0   
1 1 1 7  0  52 o 1.209000       1.917000      187.7297      180.0  
1 1 1 7  0  53 o 8.121000       1.828000      200.1553      -90.0  
1 1 1 7  0  54 o 7.675000       1.843000      383.2198      180.0  
1 1 1 7  0  55 o 2.792000       1.816000      263.8085      90.0   
1 1 1 7  0  56 o 2.556000       1.840000      301.7941      0.0    
1 1 1 7  0  57 o 6.322000       1.911000      204.4985      90.0   
1 1 1 7  0  58 o 2.886000       1.977000      143.1910      0.0    
1 1 1 7  0  59 o 3.393000       2.023000      138.0567      -90.0  
1 1 1 7  0  60 o 0.2083000      2.018000      199.2261      0.0    
1 1 1 7  0  61 o 4.738000       2.086000      150.3355      90.0   
1 1 1 7  0  62 o 5.115000       2.038000      ?             ?      
1 1 1 7  0  63 o 2.768000       1.972000      ?             ?      
1 1 1 7  0  64 o 1.867000       1.946000      ?             ?      
1 1 1 7  0  65 o -1.233000      2.741000      ?             ?      
1 1 1 7  0  66 o -3.863000      3.920000      ?             ?      
1 1 1 7  0  67 o 3.165000       2.222000      ?             ?      
1 1 1 7  0  68 o -0.6651000     1.886000      ?             ?      
1 1 1 7  0  69 o -2.643000      1.914000      ?             ?      
1 1 1 7  0  70 o -0.9024000     1.921000      ?             ?      
1 1 1 7  0  71 o 4.229000       1.960000      ?             ?      
1 1 1 7  0  72 o -2.514000      1.905000      ?             ?      
1 1 1 7  0  73 o -2.387000      1.895000      ?             ?      
1 1 1 7  0  74 o -0.2599000     1.974000      ?             ?      
1 1 1 7  0  75 o -0.4649000     1.996000      ?             ?      
1 1 1 7  0  76 o 1.231000       2.018000      ?             ?      
1 1 1 7  1  0  o 0.3061000      0.1929000     164.4906      90.0   
1 1 1 7  1  1  o 2.921000       0.2044000     376.5871      -91.6  
1 1 1 7  1  2  o 1.852000       0.1475000     269.4820      -98.8  
1 1 1 7  1  3  o 2.037000       0.1520000     370.0894      123.0  
1 1 1 7  1  4  o 1.321000       0.1613000     364.4072      -157.1 
1 1 1 7  1  5  o 10.95000       0.4062000     618.7756      -77.5  
1 1 1 7  1  6  o 15.14000       0.5553000     743.2131      -36.6  
1 1 1 7  1  7  o 14.91000       0.5686000     555.2084      -149.0 
1 1 1 7  1  8  o 5.008000       0.3023000     428.5902      130.1  
1 1 1 7  1  9  o 8.916000       0.3737000     549.2240      -27.6  
1 1 1 7  1  10 o 2.107000       0.3058000     233.7590      141.3  
1 1 1 7  1  11 o 6.701000       0.4354000     507.0373      167.0  
1 1 1 7  1  12 o 2.802000       0.3647000     182.0923      83.6   
1 1 1 7  1  13 o 3.068000       0.4463000     400.3003      -51.3  
1 1 1 7  1  14 o -0.5046000     0.7801000     140.7985      134.5  
1 1 1 7  1  15 o 2.519000       0.7884000     263.9729      114.8  
1 1 1 7  1  16 o 3.598000       0.5633000     332.9474      179.9  
1 1 1 7  1  17 o 1.883000       0.5242000     345.3814      159.2  
1 1 1 7  1  18 o 20.39000       1.011000      338.7940      -136.7 
1 1 1 7  1  19 o 4.115000       0.5342000     163.4512      -40.0  
1 1 1 7  1  20 o 2.569000       0.5490000     170.8092      101.2  
1 1 1 7  1  21 o 7.582000       0.6138000     332.3465      -152.6 
1 1 1 7  1  22 o 3.831000       0.6146000     329.9594      51.1   
1 1 1 7  1  23 o 10.37000       0.6911000     221.8365      25.8   
1 1 1 7  1  24 o 31.92000       1.306000      645.6247      -161.6 
1 1 1 7  1  25 o 21.18000       0.9557000     489.1155      167.0  
1 1 1 7  1  26 o 5.022000       0.7570000     272.1690      5.0    
1 1 1 7  1  27 o 3.674000       0.7964000     171.4654      66.2   
1 1 1 7  1  28 o 20.42000       0.9959000     326.5644      34.3   
1 1 1 7  1  29 o 1.151000       0.8902000     229.1055      106.2  
1 1 1 7  1  30 o 8.942000       0.9897000     416.1057      40.6   
1 1 1 7  1  31 o 13.87000       1.091000      429.5426      38.3   
1 1 1 7  1  32 o 45.25000       1.644000      772.0997      67.8   
1 1 1 7  1  33 o 11.18000       1.968000      354.8141      179.8  
1 1 1 7  1  34 o 11.51000       2.727000      301.2776      -83.9  
1 1 1 7  1  35 o 2.100000       2.205000      265.6223      115.4  
1 1 1 7  1  36 o 7.728000       1.319000      140.9028      106.5  
1 1 1 7  1  37 o 5.574000       1.196000      402.7749      11.2   
1 1 1 7  1  38 o 16.14000       1.230000      335.3423      -6.4   
1 1 1 7  1  39 o 5.105000       1.120000      375.2500      -101.6 
1 1 1 7  1  40 o 18.83000       1.215000      471.5822      -133.6 
1 1 1 7  1  41 o 11.70000       1.210000      316.4810      27.7   
1 1 1 7  1  42 o 2.946000       1.121000      278.2331      -115.3 
1 1 1 7  1  43 o -1.875000      1.036000      60.77257      82.4   
1 1 1 7  1  44 o 5.174000       1.356000      196.5227      -30.1  
1 1 1 7  1  45 o 2.918000       1.383000      82.60589      -64.0  
1 1 1 7  1  46 o 8.949000       1.284000      228.1592      63.9   
1 1 1 7  1  47 o 2.566000       1.245000      139.2384      113.5  
1 1 1 7  1  48 o 3.033000       1.121000      197.7579      109.6  
1 1 1 7  1  49 o 5.937000       1.466000      149.8084      124.2  
1 1 1 7  1  50 o 1.118000       1.921000      49.78469      13.3   
1 1 1 7  1  51 o 7.882000       2.569000      301.6970      28.3   
1 1 1 7  1  52 o 1.829000       1.541000      120.3925      32.8   
1 1 1 7  1  53 o 2.376000       1.246000      251.2186      36.9   
1 1 1 7  1  54 o 4.933000       1.280000      204.4995      -101.7 
1 1 1 7  1  55 o 1.986000       1.284000      206.7596      17.0   
1 1 1 7  1  56 o -0.3919000     1.289000      25.08373      -159.4 
1 1 1 7  1  57 o 14.20000       1.429000      482.4316      29.2   
1 1 1 7  1  58 o 12.00000       1.472000      376.1945      -36.6  
1 1 1 7  1  59 o 7.015000       1.454000      341.7315      49.0   
1 1 1 7  1  60 o 2.500000       1.454000      237.5997      169.9  
1 1 1 7  1  61 o 0.4416000      1.439000      93.04943      5.1    
1 1 1 7  1  62 o 2.974000       1.434000      ?             ?      
1 1 1 7  1  63 o -1.248000      1.384000      ?             ?      
1 1 1 7  1  64 o 1.909000       1.485000      ?             ?      
1 1 1 7  1  65 o 2.581000       2.286000      ?             ?      
1 1 1 7  1  66 o 0.7251000E-01  2.428000      ?             ?      
1 1 1 7  1  67 o 2.191000       1.576000      ?             ?      
1 1 1 7  1  68 o 0.8383000      1.359000      ?             ?      
1 1 1 7  1  69 o -0.4291000     1.345000      ?             ?      
1 1 1 7  1  70 o -0.4433000     1.367000      ?             ?      
1 1 1 7  1  71 o -0.7347000     1.363000      ?             ?      
1 1 1 7  1  72 o 1.310000       1.367000      ?             ?      
1 1 1 7  1  73 o 0.3124000      1.377000      ?             ?      
1 1 1 7  1  74 o 3.234000       1.414000      ?             ?      
1 1 1 7  1  75 o 2.171000       1.420000      ?             ?      
1 1 1 7  1  76 o 0.4814000      1.418000      ?             ?      
1 1 1 7  2  0  o 17.67000       0.5242000     312.1864      90.0   
1 1 1 7  2  1  o 2.663000       0.2107000     277.9472      55.1   
1 1 1 7  2  2  o 3.361000       0.1795000     343.3060      -133.3 
1 1 1 7  2  3  o 9.120000       0.2951000     731.9424      -84.4  
1 1 1 7  2  4  o 30.53000       0.7122000     997.8764      73.1   
1 1 1 7  2  5  o 23.44000       0.5715000     1101.249      -23.9  
1 1 1 7  2  6  o 21.05000       0.4928000     873.9588      -23.2  
1 1 1 7  2  7  o 15.70000       0.4809000     541.0704      96.1   
1 1 1 7  2  8  o 1.469000       0.2497000     231.5450      155.5  
1 1 1 7  2  9  o 2.786000       0.2837000     391.0188      -63.8  
1 1 1 7  2  10 o 29.12000       0.8132000     753.3459      -128.0 
1 1 1 7  2  11 o 10.78000       0.4208000     719.9377      90.6   
1 1 1 7  2  12 o 16.91000       0.5870000     638.8392      38.6   
1 1 1 7  2  13 o 3.898000       0.4503000     161.1957      98.3   
1 1 1 7  2  14 o 0.5090000      0.6393000     296.3081      -96.9  
1 1 1 7  2  15 o 1.888000       0.7864000     423.1237      -127.5 
1 1 1 7  2  16 o 0.8710000      0.5945000     204.1178      -39.9  
1 1 1 7  2  17 o 7.867000       0.5743000     474.3604      -29.7  
1 1 1 7  2  18 o 4.255000       0.5098000     324.2648      18.6   
1 1 1 7  2  19 o 1.107000       0.5176000     205.6486      -146.1 
1 1 1 7  2  20 o 1.710000       0.5487000     208.3327      -173.3 
1 1 1 7  2  21 o 19.80000       0.8188000     556.7939      -36.0  
1 1 1 7  2  22 o 9.336000       0.6569000     508.6147      -12.0  
1 1 1 7  2  23 o 78.95000       2.299000      1206.515      -118.2 
1 1 1 7  2  24 o 16.62000       0.7974000     543.5808      49.8   
1 1 1 7  2  25 o 7.217000       0.7319000     390.1291      21.3   
1 1 1 7  2  26 o 39.11000       1.437000      1047.341      84.2   
1 1 1 7  2  27 o 7.175000       0.8224000     365.7252      -72.4  
1 1 1 7  2  28 o 15.92000       0.9378000     432.8578      -76.5  
1 1 1 7  2  29 o 21.54000       1.055000      600.0402      84.6   
1 1 1 7  2  30 o 14.63000       1.129000      549.0045      137.3  
1 1 1 7  2  31 o 32.82000       1.539000      692.4158      -168.0 
1 1 1 7  2  32 o 19.82000       1.400000      753.9772      -91.4  
1 1 1 7  2  33 o 18.40000       1.742000      572.0596      42.1   
1 1 1 7  2  34 o 68.85000       2.787000      1243.137      -145.8 
1 1 1 7  2  35 o 4.678000       1.777000      234.5174      -90.7  
1 1 1 7  2  36 o 26.93000       1.527000      562.3516      -90.6  
1 1 1 7  2  37 o 20.24000       1.283000      686.1998      96.2   
1 1 1 7  2  38 o 25.91000       1.313000      547.2499      -9.9   
1 1 1 7  2  39 o 10.19000       1.238000      318.4433      -85.1  
1 1 1 7  2  40 o 17.34000       1.281000      569.0350      -101.1 
1 1 1 7  2  41 o 4.610000       1.184000      206.6388      -108.8 
1 1 1 7  2  42 o 30.11000       1.666000      735.2128      66.4   
1 1 1 7  2  43 o 8.704000       1.083000      490.0389      3.2    
1 1 1 7  2  44 o 3.760000       1.112000      238.8397      -124.0 
1 1 1 7  2  45 o 5.549000       1.138000      141.8161      -151.8 
1 1 1 7  2  46 o 4.287000       1.079000      213.8780      -170.1 
1 1 1 7  2  47 o 13.91000       1.173000      437.0019      82.0   
1 1 1 7  2  48 o 1.944000       1.097000      40.92157      119.7  
1 1 1 7  2  49 o 3.143000       1.346000      156.4138      158.2  
1 1 1 7  2  50 o 14.13000       1.594000      531.9690      143.0  
1 1 1 7  2  51 o 8.827000       2.226000      516.0243      -157.9 
1 1 1 7  2  52 o 5.134000       2.178000      318.7892      -69.0  
1 1 1 7  2  53 o 16.35000       1.456000      441.2807      -137.3 
1 1 1 7  2  54 o 3.224000       1.333000      291.2854      112.4  
1 1 1 7  2  55 f 5.347000       1.293000      102.6793      122.2  
1 1 1 7  2  56 o 0.2041000      1.306000      82.41690      155.8  
1 1 1 7  2  57 o 5.208000       1.364000      280.3015      113.7  
1 1 1 7  2  58 o 2.263000       1.394000      172.5260      -29.8  
1 1 1 7  2  59 o 4.531000       1.429000      271.9962      31.7   
1 1 1 7  2  60 o 16.74000       1.569000      558.9780      86.8   
1 1 1 7  2  61 o 5.760000       1.473000      303.7789      -39.5  
1 1 1 7  2  62 o 2.105000       1.431000      ?             ?      
1 1 1 7  2  63 o 0.6088000      1.397000      ?             ?      
1 1 1 7  2  64 o -0.6387000     1.599000      ?             ?      
1 1 1 7  2  65 o 2.005000       1.811000      ?             ?      
1 1 1 7  2  66 o -0.7169000     1.770000      ?             ?      
1 1 1 7  2  67 o -0.4464000     1.790000      ?             ?      
1 1 1 7  2  68 o 2.391000       1.484000      ?             ?      
1 1 1 7  2  69 o 0.2237000      1.361000      ?             ?      
1 1 1 7  2  70 o 3.725000       1.393000      ?             ?      
1 1 1 7  2  71 o 1.570000       1.459000      ?             ?      
1 1 1 7  2  72 o -0.2731000     1.353000      ?             ?      
1 1 1 7  2  73 o 0.7867000E-01  1.373000      ?             ?      
1 1 1 7  2  74 o -0.8131000     1.397000      ?             ?      
1 1 1 7  2  75 o 2.526000       1.433000      ?             ?      
1 1 1 7  2  76 o -0.3447000     1.434000      ?             ?      
1 1 1 7  3  0  o 66.70000       1.904000      1385.474      -90.0  
1 1 1 7  3  1  o 1.601000       0.1589000     212.8839      58.5   
1 1 1 7  3  2  o 111.9000       2.115000      2004.544      -105.4 
1 1 1 7  3  3  o 4.393000       0.2191000     479.8050      162.6  
1 1 1 7  3  4  o 10.14000       0.2825000     367.7379      -142.6 
1 1 1 7  3  5  o 45.93000       0.9553000     988.8318      -107.0 
1 1 1 7  3  6  o 85.61000       1.724000      1170.328      -101.9 
1 1 1 7  3  7  o 47.37000       0.9953000     1084.004      169.3  
1 1 1 7  3  8  o 2.859000       0.2521000     406.2659      121.7  
1 1 1 7  3  9  o 29.60000       0.6883000     998.7703      -72.2  
1 1 1 7  3  10 o 39.46000       0.9611000     870.2213      145.2  
1 1 1 7  3  11 o 54.40000       1.266000      1269.662      82.8   
1 1 1 7  3  12 o 2.359000       0.3992000     291.8592      -11.9  
1 1 1 7  3  13 o 17.22000       0.7520000     820.6265      -39.4  
1 1 1 7  3  14 o 20.62000       0.7301000     737.9323      134.8  
1 1 1 7  3  15 o 7.840000       0.5352000     433.4950      104.6  
1 1 1 7  3  16 o 16.58000       0.8907000     419.4977      51.4   
1 1 1 7  3  17 o 2.514000       0.6418000     187.9972      -158.3 
1 1 1 7  3  18 o 5.360000       0.5777000     307.4596      59.2   
1 1 1 7  3  19 o 5.841000       0.5549000     323.2987      91.3   
1 1 1 7  3  20 o 6.820000       0.5926000     489.6881      66.6   
1 1 1 7  3  21 o 87.53000       2.211000      1138.563      -139.6 
1 1 1 7  3  22 o 20.04000       0.7850000     1038.130      -2.3   
1 1 1 7  3  23 f 16.88000       0.7700000     383.2183      134.9  
1 1 1 7  3  24 o 40.32000       1.220000      738.6459      -117.2 
1 1 1 7  3  25 o 28.53000       1.055000      557.7982      96.0   
1 1 1 7  3  26 o 148.4000       3.794000      1919.225      99.0   
1 1 1 7  3  27 o 23.35000       1.069000      378.8224      83.0   
1 1 1 7  3  28 o 24.59000       1.047000      549.5817      -142.1 
1 1 1 7  3  29 o 28.66000       1.144000      572.1184      36.7   
1 1 1 7  3  30 o 22.71000       1.204000      581.9138      -118.8 
1 1 1 7  3  31 o 46.04000       1.495000      935.9131      152.4  
1 1 1 7  3  32 o 99.30000       2.766000      1457.247      132.7  
1 1 1 7  3  33 o 8.088000       1.539000      335.0666      44.7   
1 1 1 7  3  34 o 39.01000       1.740000      714.5729      144.2  
1 1 1 7  3  35 o 55.50000       2.551000      1104.861      59.9   
1 1 1 7  3  36 o 19.37000       1.765000      495.8218      -120.9 
1 1 1 7  3  37 o 13.71000       1.316000      490.5909      101.8  
1 1 1 7  3  38 o 47.72000       1.603000      849.9167      -1.5   
1 1 1 7  3  39 o 64.69000       2.295000      1217.122      -50.5  
1 1 1 7  3  40 o 3.768000       1.405000      279.3106      116.7  
1 1 1 7  3  41 o 6.992000       1.094000      287.0904      -160.4 
1 1 1 7  3  42 o 13.42000       1.199000      546.1401      123.5  
1 1 1 7  3  43 o 3.720000       1.040000      303.9281      -25.7  
1 1 1 7  3  44 o 4.442000       1.024000      136.4063      -81.6  
1 1 1 7  3  45 o 4.485000       1.043000      256.2710      -96.6  
1 1 1 7  3  46 o 4.005000       1.060000      149.5969      97.2   
1 1 1 7  3  47 o 8.771000       1.103000      328.1925      -119.4 
1 1 1 7  3  48 o 8.567000       1.131000      411.1753      163.4  
1 1 1 7  3  49 o 5.458000       1.427000      248.3082      143.1  
1 1 1 7  3  50 o 6.574000       1.301000      497.8762      33.1   
1 1 1 7  3  51 o 12.35000       1.402000      540.3280      37.7   
1 1 1 7  3  52 o 0.3365000      2.095000      214.6429      -174.3 
1 1 1 7  3  53 o 3.083000       1.970000      235.5991      -173.3 
1 1 1 7  3  54 o 0.8077000      1.586000      298.0015      -79.2  
1 1 1 7  3  55 o 2.911000       1.291000      331.3232      61.3   
1 1 1 7  3  56 o 4.112000       1.391000      326.8869      -38.4  
1 1 1 7  3  57 o 10.61000       1.484000      558.5632      44.7   
1 1 1 7  3  58 o 0.5038000      1.376000      167.3106      176.3  
1 1 1 7  3  59 o 3.346000       1.424000      318.9756      -156.1 
1 1 1 7  3  60 o 3.046000       1.448000      236.5603      -160.1 
1 1 1 7  3  61 o 6.653000       1.474000      438.0605      117.6  
1 1 1 7  3  62 o 3.475000       1.433000      ?             ?      
1 1 1 7  3  63 o 9.728000       1.471000      ?             ?      
1 1 1 7  3  64 o 6.130000       1.648000      ?             ?      
1 1 1 7  3  65 o 1.453000       1.580000      ?             ?      
1 1 1 7  3  66 o 1.736000       1.477000      ?             ?      
1 1 1 7  3  67 o -0.9625000     1.802000      ?             ?      
1 1 1 7  3  68 o -0.2616000     1.574000      ?             ?      
1 1 1 7  3  69 o -0.9896000E-01 1.353000      ?             ?      
1 1 1 7  3  70 o 1.500000       1.368000      ?             ?      
1 1 1 7  3  71 o 1.944000       1.366000      ?             ?      
1 1 1 7  3  72 o 2.571000       1.382000      ?             ?      
1 1 1 7  3  73 o -0.2415000     1.386000      ?             ?      
1 1 1 7  3  74 o 0.8080000      1.413000      ?             ?      
1 1 1 7  3  75 o -2.241000      1.412000      ?             ?      
1 1 1 7  3  76 o 0.9849000      1.471000      ?             ?      
1 1 1 7  4  0  o 63.00000       1.480000      664.9517      90.0   
1 1 1 7  4  1  o 10.05000       0.3170000     752.1418      5.2    
1 1 1 7  4  2  o 3.315000       0.1817000     580.1680      -102.3 
1 1 1 7  4  3  o 11.46000       0.3336000     563.7864      -90.2  
1 1 1 7  4  4  o 53.95000       0.9907000     1297.890      62.5   
1 1 1 7  4  5  o 167.6000       2.969000      1758.553      -14.6  
1 1 1 7  4  6  o 104.2000       2.082000      1707.844      -17.6  
1 1 1 7  4  7  o 72.97000       1.484000      1629.837      152.3  
1 1 1 7  4  8  o 15.39000       0.5113000     735.1597      45.5   
1 1 1 7  4  9  o 215.8000       4.284000      2455.640      -48.9  
1 1 1 7  4  10 o 123.6000       2.488000      1844.334      173.2  
1 1 1 7  4  11 o 8.195000       0.3893000     864.3048      56.2   
1 1 1 7  4  12 o 42.31000       1.231000      1076.395      -118.8 
1 1 1 7  4  13 o 10.92000       0.6132000     715.1422      151.1  
1 1 1 7  4  14 o 7.997000       0.5195000     569.5251      -70.9  
1 1 1 7  4  15 o 1.688000       0.4715000     560.4927      -164.1 
1 1 1 7  4  16 o 12.39000       0.7331000     562.7031      122.6  
1 1 1 7  4  17 o 36.01000       1.332000      858.2068      41.1   
1 1 1 7  4  18 o 41.31000       1.137000      948.6287      -84.6  
1 1 1 7  4  19 o 4.248000       0.5518000     269.2405      -62.7  
1 1 1 7  4  20 o 218.5000       4.409000      2179.315      3.7    
1 1 1 7  4  21 o 9.011000       0.6408000     807.8146      168.7  
1 1 1 7  4  22 o 91.17000       2.151000      1453.315      77.7   
1 1 1 7  4  23 o 19.56000       0.8074000     482.0652      -23.6  
1 1 1 7  4  24 f 22.63000       0.9328000     739.7297      93.8   
1 1 1 7  4  25 o 21.39000       0.9009000     786.2083      132.1  
1 1 1 7  4  26 o 119.2000       2.591000      1455.707      50.4   
1 1 1 7  4  27 o 21.09000       0.9742000     561.0591      -45.2  
1 1 1 7  4  28 o 75.97000       1.861000      820.1801      -34.8  
1 1 1 7  4  29 o 132.9000       3.537000      1800.487      -143.2 
1 1 1 7  4  30 o 118.0000       2.888000      1645.219      -163.7 
1 1 1 7  4  31 o 17.64000       1.415000      273.7832      95.6   
1 1 1 7  4  32 o 63.60000       2.498000      947.3025      164.3  
1 1 1 7  4  33 o 98.58000       2.786000      1585.778      -153.0 
1 1 1 7  4  34 f 16.08000       1.384000      867.6779      -90.5  
1 1 1 7  4  35 o 249.7000       6.760000      2113.121      -86.4  
1 1 1 7  4  36 o 64.86000       2.508000      970.7380      -142.6 
1 1 1 7  4  37 o 62.26000       2.409000      1078.590      78.3   
1 1 1 7  4  38 o 31.21000       1.388000      740.1126      -164.1 
1 1 1 7  4  39 o 5.909000       1.195000      296.8403      -127.5 
1 1 1 7  4  40 o 11.35000       1.214000      584.0350      48.0   
1 1 1 7  4  41 o 10.71000       1.105000      466.8157      115.4  
1 1 1 7  4  42 o 21.97000       1.199000      725.7531      37.1   
1 1 1 7  4  43 o 6.129000       1.041000      297.0206      143.6  
1 1 1 7  4  44 o 22.33000       1.184000      745.6142      -107.8 
1 1 1 7  4  45 o 24.06000       1.223000      698.2990      -82.6  
1 1 1 7  4  46 o 10.80000       1.105000      612.5646      77.7   
1 1 1 7  4  47 o 26.13000       1.272000      739.1603      -114.2 
1 1 1 7  4  48 o 8.817000       1.271000      440.2299      -33.6  
1 1 1 7  4  49 o 30.28000       1.847000      797.0847      138.8  
1 1 1 7  4  50 o 1.949000       1.265000      111.8644      -131.9 
1 1 1 7  4  51 o 8.028000       1.188000      372.7980      -53.4  
1 1 1 7  4  52 o 5.039000       1.427000      281.3547      -42.4  
1 1 1 7  4  53 o 2.853000       2.135000      303.9087      -174.1 
1 1 1 7  4  54 o 7.314000       1.447000      324.5243      98.7   
1 1 1 7  4  55 o 0.8145000      1.289000      250.1162      -60.7  
1 1 1 7  4  56 o 25.90000       1.872000      747.6752      152.8  
1 1 1 7  4  57 o 7.615000       1.391000      386.2788      -104.6 
1 1 1 7  4  58 o 5.981000       1.479000      435.7225      15.8   
1 1 1 7  4  59 o 9.111000       1.560000      434.4485      112.3  
1 1 1 7  4  60 o -1.821000      1.434000      118.2717      33.8   
1 1 1 7  4  61 o 9.723000       1.496000      478.1175      -71.8  
1 1 1 7  4  62 o 3.929000       1.458000      ?             ?      
1 1 1 7  4  63 o 20.16000       1.811000      ?             ?      
1 1 1 7  4  64 o 4.140000       1.947000      ?             ?      
1 1 1 7  4  65 o 0.8290000      1.561000      ?             ?      
1 1 1 7  4  66 o 3.996000       1.392000      ?             ?      
1 1 1 7  4  67 o 2.492000       1.620000      ?             ?      
1 1 1 7  4  68 o 6.781000       1.858000      ?             ?      
1 1 1 7  4  69 o -0.5493000     1.357000      ?             ?      
1 1 1 7  4  70 o 3.490000       1.400000      ?             ?      
1 1 1 7  4  71 o 3.201000       1.522000      ?             ?      
1 1 1 7  4  72 o 2.276000       1.395000      ?             ?      
1 1 1 7  4  73 o 0.6657000      1.391000      ?             ?      
1 1 1 7  4  74 o -1.233000      1.413000      ?             ?      
1 1 1 7  4  75 o 3.891000       1.456000      ?             ?      
1 1 1 7  4  76 o 2.624000       1.578000      ?             ?      
1 1 1 7  5  0  o 12.93000       0.6659000     432.6661      90.0   
1 1 1 7  5  1  o 178.4000       3.153000      1899.172      73.8   
1 1 1 7  5  2  o 197.5000       3.693000      1795.334      -84.6  
1 1 1 7  5  3  o 10.63000       0.3404000     210.3598      -155.1 
1 1 1 7  5  4  o 23.64000       0.4783000     805.5137      -169.2 
1 1 1 7  5  5  o 94.01000       1.785000      1190.942      -14.0  
1 1 1 7  5  6  o 107.0000       2.029000      1761.358      -172.4 
1 1 1 7  5  7  o 167.5000       3.319000      2076.030      59.4   
1 1 1 7  5  8  o 32.34000       0.7231000     1019.493      57.8   
1 1 1 7  5  9  o 84.57000       1.723000      1604.211      -109.5 
1 1 1 7  5  10 o 52.79000       1.130000      1266.277      -11.1  
1 1 1 7  5  11 o 10.44000       0.4540000     437.9109      -8.1   
1 1 1 7  5  12 o 37.03000       1.184000      1259.825      -111.3 
1 1 1 7  5  13 o 9.727000       0.5134000     356.9760      -41.2  
1 1 1 7  5  14 o 16.99000       0.5753000     247.1855      57.5   
1 1 1 7  5  15 o 143.0000       3.147000      1806.801      -41.9  
1 1 1 7  5  16 o 7.357000       0.5491000     424.7795      139.8  
1 1 1 7  5  17 o 34.94000       1.206000      1202.918      -48.5  
1 1 1 7  5  18 o 12.24000       0.8132000     458.2894      34.7   
1 1 1 7  5  19 o 69.78000       1.691000      1248.050      48.2   
1 1 1 7  5  20 o 3.265000       0.5773000     247.9542      -114.9 
1 1 1 7  5  21 o 107.9000       2.294000      1355.365      -135.0 
1 1 1 7  5  22 o 25.22000       0.8621000     656.8990      -75.9  
1 1 1 7  5  23 f 52.64000       1.330000      1136.847      87.6   
1 1 1 7  5  24 o 142.1000       2.984000      2108.741      -85.1  
1 1 1 7  5  25 o 309.7000       6.215000      2592.667      126.8  
1 1 1 7  5  26 o 124.5000       2.690000      1831.450      110.2  
1 1 1 7  5  27 o 31.65000       1.124000      989.8517      -52.1  
1 1 1 7  5  28 o 322.0000       6.493000      2500.460      -97.6  
1 1 1 7  5  29 o 121.1000       2.698000      1590.263      21.1   
1 1 1 7  5  30 o 201.3000       4.224000      1953.797      -154.2 
1 1 1 7  5  31 o 21.47000       1.394000      596.3042      -167.1 
1 1 1 7  5  32 o 43.42000       2.465000      1121.197      14.7   
1 1 1 7  5  33 o 31.36000       1.508000      904.5798      157.1  
1 1 1 7  5  34 o 57.39000       2.251000      1066.068      -25.8  
1 1 1 7  5  35 o 119.8000       3.652000      1600.788      66.4   
1 1 1 7  5  36 o 141.4000       4.139000      1910.616      -111.2 
1 1 1 7  5  37 o 10.40000       1.726000      438.9580      -168.3 
1 1 1 7  5  38 o 28.30000       1.604000      587.7401      11.1   
1 1 1 7  5  39 o 73.79000       1.959000      1178.016      -56.8  
1 1 1 7  5  40 o 17.44000       1.158000      409.5987      164.9  
1 1 1 7  5  41 o 19.85000       1.180000      490.8916      150.5  
1 1 1 7  5  42 o 19.48000       1.174000      414.1998      -60.5  
1 1 1 7  5  43 o 55.10000       1.641000      1100.057      -10.4  
1 1 1 7  5  44 o 3.546000       1.021000      223.7863      171.7  
1 1 1 7  5  45 o 60.45000       1.758000      949.4558      19.1   
1 1 1 7  5  46 o 16.50000       1.152000      697.7134      29.8   
1 1 1 7  5  47 o 10.35000       1.108000      391.7294      121.9  
1 1 1 7  5  48 o 9.734000       1.295000      413.5889      137.2  
1 1 1 7  5  49 o 16.03000       1.378000      552.1419      131.6  
1 1 1 7  5  50 o 27.33000       1.373000      656.7739      80.8   
1 1 1 7  5  51 o 26.64000       1.362000      647.6399      -19.2  
1 1 1 7  5  52 o 2.711000       1.262000      196.3885      -90.8  
1 1 1 7  5  53 o 19.00000       1.849000      528.6645      94.8   
1 1 1 7  5  54 o 15.26000       1.550000      545.9118      -80.3  
1 1 1 7  5  55 o 10.16000       1.335000      366.1869      -111.3 
1 1 1 7  5  56 o 9.425000       1.617000      385.5648      -77.7  
1 1 1 7  5  57 o 4.286000       1.374000      363.1045      172.4  
1 1 1 7  5  58 o 3.069000       1.709000      365.5564      9.2    
1 1 1 7  5  59 o -2.633000      1.728000      196.5980      -153.4 
1 1 1 7  5  60 o 4.114000       1.569000      274.7296      129.5  
1 1 1 7  5  61 o 7.314000       1.577000      475.1175      100.3  
1 1 1 7  5  62 o 14.12000       1.525000      ?             ?      
1 1 1 7  5  63 o 11.58000       1.692000      ?             ?      
1 1 1 7  5  64 o 4.355000       1.614000      ?             ?      
1 1 1 7  5  65 o 5.345000       1.427000      ?             ?      
1 1 1 7  5  66 o -0.5397000E-01 1.369000      ?             ?      
1 1 1 7  5  67 o 6.787000       1.548000      ?             ?      
1 1 1 7  5  68 o 2.040000       1.743000      ?             ?      
1 1 1 7  5  69 o -1.056000      1.488000      ?             ?      
1 1 1 7  5  70 o 4.433000       1.401000      ?             ?      
1 1 1 7  5  71 o 4.923000       1.399000      ?             ?      
1 1 1 7  5  72 o -0.3529000     1.384000      ?             ?      
1 1 1 7  5  73 o 3.554000       1.423000      ?             ?      
1 1 1 7  5  74 o 3.110000       1.444000      ?             ?      
1 1 1 7  5  75 o -0.1613000     1.418000      ?             ?      
1 1 1 7  5  76 o 5.013000       1.692000      ?             ?      
1 1 1 7  6  0  o 156.9000       3.589000      1578.799      90.0   
1 1 1 7  6  1  o 341.1000       6.012000      2478.685      80.2   
1 1 1 7  6  2  o 16.13000       0.4238000     786.7749      -160.9 
1 1 1 7  6  3  o 94.15000       1.730000      1151.106      -143.2 
1 1 1 7  6  4  o 148.5000       2.638000      1465.533      43.6   
1 1 1 7  6  5  o 98.18000       1.759000      1189.356      7.6    
1 1 1 7  6  6  o 131.5000       2.479000      1760.133      178.2  
1 1 1 7  6  7  o 25.56000       0.6424000     727.5144      -12.2  
1 1 1 7  6  8  o 320.7000       6.317000      2432.724      25.8   
1 1 1 7  6  9  o 75.14000       1.543000      1146.047      26.9   
1 1 1 7  6  10 o 102.0000       2.075000      1231.672      83.2   
1 1 1 7  6  11 o 70.98000       1.700000      1144.421      12.2   
1 1 1 7  6  12 o 8.508000       0.5152000     427.0799      142.7  
1 1 1 7  6  13 o 53.47000       1.353000      997.8671      18.7   
1 1 1 7  6  14 o 28.56000       0.7524000     804.0977      70.8   
1 1 1 7  6  15 o 25.18000       0.7876000     716.7954      47.7   
1 1 1 7  6  16 o 97.57000       2.202000      1147.439      -13.4  
1 1 1 7  6  17 o 246.2000       6.360000      2118.929      -96.3  
1 1 1 7  6  18 o 144.4000       3.824000      1453.121      -0.9   
1 1 1 7  6  19 o 74.97000       1.800000      1092.075      20.7   
1 1 1 7  6  20 o 58.44000       1.370000      1034.339      12.7   
1 1 1 7  6  21 o 99.93000       2.147000      1383.458      149.5  
1 1 1 7  6  22 o 389.8000       7.748000      2834.768      92.5   
1 1 1 7  6  23 o 439.7000       8.726000      2577.193      -51.9  
1 1 1 7  6  24 o 54.48000       1.385000      1236.845      176.9  
1 1 1 7  6  25 o 136.2000       2.888000      1622.634      35.4   
1 1 1 7  6  26 o 188.0000       3.886000      2116.797      49.7   
1 1 1 7  6  27 o 71.52000       1.763000      1310.034      151.3  
1 1 1 7  6  28 o 120.7000       2.670000      1822.315      -120.1 
1 1 1 7  6  29 o 136.9000       3.237000      1402.410      -128.4 
1 1 1 7  6  30 o 71.06000       2.363000      1247.633      108.0  
1 1 1 7  6  31 o 33.79000       1.873000      418.8984      -104.6 
1 1 1 7  6  32 o 32.24000       2.523000      533.2653      59.8   
1 1 1 7  6  33 o 41.14000       1.705000      875.7881      -76.6  
1 1 1 7  6  34 o 70.71000       2.136000      1264.636      86.9   
1 1 1 7  6  35 o 244.9000       5.510000      2203.015      2.3    
1 1 1 7  6  36 o 203.1000       4.989000      2110.929      -140.5 
1 1 1 7  6  37 o 32.43000       1.865000      922.0977      86.9   
1 1 1 7  6  38 o 45.87000       1.654000      1078.148      168.4  
1 1 1 7  6  39 o 8.739000       1.095000      520.8935      -29.4  
1 1 1 7  6  40 o 18.02000       1.156000      728.9246      74.1   
1 1 1 7  6  41 o 10.61000       1.090000      441.8706      102.4  
1 1 1 7  6  42 o 41.20000       1.435000      866.6372      128.7  
1 1 1 7  6  43 o 76.29000       1.992000      1209.290      38.9   
1 1 1 7  6  44 o 24.97000       1.215000      864.4073      -158.8 
1 1 1 7  6  45 o 11.00000       1.092000      627.3198      -77.2  
1 1 1 7  6  46 o 8.460000       1.087000      557.4913      -152.8 
1 1 1 7  6  47 o 24.04000       1.415000      455.7796      -30.9  
1 1 1 7  6  48 o 11.31000       1.510000      549.9252      90.2   
1 1 1 7  6  49 o 19.07000       1.410000      659.8040      -161.8 
1 1 1 7  6  50 o 12.43000       1.199000      475.2589      -66.3  
1 1 1 7  6  51 o 21.62000       1.304000      554.5008      51.6   
1 1 1 7  6  52 o 7.025000       1.204000      386.9094      169.3  
1 1 1 7  6  53 o 34.40000       1.823000      930.3497      -8.6   
1 1 1 7  6  54 o -0.3029000     1.731000      281.7448      60.0   
1 1 1 7  6  55 o 15.45000       1.472000      617.8422      -21.3  
1 1 1 7  6  56 o 14.57000       1.394000      458.6059      138.2  
1 1 1 7  6  57 o 46.53000       1.834000      1002.476      -15.2  
1 1 1 7  6  58 o 8.619000       1.521000      468.5806      177.8  
1 1 1 7  6  59 o 4.272000       1.528000      207.9117      -119.3 
1 1 1 7  6  60 o 21.68000       1.963000      721.5087      -89.0  
1 1 1 7  6  61 o 7.849000       1.786000      434.8097      -82.6  
1 1 1 7  6  62 o -1.143000      1.500000      ?             ?      
1 1 1 7  6  63 o 2.605000       1.787000      ?             ?      
1 1 1 7  6  64 o 1.827000       1.599000      ?             ?      
1 1 1 7  6  65 o 5.926000       1.414000      ?             ?      
1 1 1 7  6  66 o 4.325000       1.388000      ?             ?      
1 1 1 7  6  67 o 8.146000       1.546000      ?             ?      
1 1 1 7  6  68 o 11.79000       1.941000      ?             ?      
1 1 1 7  6  69 o 2.548000       1.608000      ?             ?      
1 1 1 7  6  70 o 1.735000       1.388000      ?             ?      
1 1 1 7  6  71 o 3.151000       1.400000      ?             ?      
1 1 1 7  6  72 o 2.176000       1.404000      ?             ?      
1 1 1 7  6  73 o 2.528000       1.431000      ?             ?      
1 1 1 7  6  74 o 2.614000       1.437000      ?             ?      
1 1 1 7  6  75 o 0.6400000      2.052000      ?             ?      
1 1 1 7  6  76 o 6.572000       1.706000      ?             ?      
1 1 1 7  7  0  o 90.12000       2.281000      508.2405      90.0   
1 1 1 7  7  1  o 32.86000       0.6033000     914.6060      -19.1  
1 1 1 7  7  2  o 14.29000       0.3848000     400.6702      -4.2   
1 1 1 7  7  3  o 38.43000       0.8186000     751.3290      -101.1 
1 1 1 7  7  4  o 21.21000       0.5655000     1111.876      -84.2  
1 1 1 7  7  5  o 331.7000       5.842000      2433.054      18.0   
1 1 1 7  7  6  o 11.35000       0.4629000     772.8835      117.6  
1 1 1 7  7  7  o 136.4000       2.578000      1512.918      81.4   
1 1 1 7  7  8  o 260.3000       5.136000      2340.587      84.8   
1 1 1 7  7  9  o 495.5000       9.736000      2869.918      -165.6 
1 1 1 7  7  10 o 44.18000       1.104000      1090.957      117.9  
1 1 1 7  7  11 o 3.866000       0.4047000     328.9307      136.1  
1 1 1 7  7  12 o 24.42000       0.8006000     536.4478      -127.8 
1 1 1 7  7  13 o 33.47000       0.8267000     892.8938      -157.1 
1 1 1 7  7  14 o 289.2000       5.734000      2119.986      28.4   
1 1 1 7  7  15 o 13.52000       0.5471000     547.2922      -99.5  
1 1 1 7  7  16 o 53.89000       1.341000      1290.091      -60.3  
1 1 1 7  7  17 o 50.35000       1.383000      1181.041      11.3   
1 1 1 7  7  18 o 83.13000       2.204000      1469.533      -31.7  
1 1 1 7  7  19 o 32.43000       1.210000      912.5856      158.8  
1 1 1 7  7  20 o 16.66000       0.7668000     583.8370      -50.7  
1 1 1 7  7  21 o 212.0000       4.287000      2316.240      30.0   
1 1 1 7  7  22 o 181.3000       3.706000      1539.543      24.8   
1 1 1 7  7  23 o 28.89000       0.9726000     618.4934      -1.9   
1 1 1 7  7  24 o 222.2000       4.520000      2255.885      -81.9  
1 1 1 7  7  25 o 109.1000       2.393000      1616.482      -137.9 
1 1 1 7  7  26 o 163.8000       3.708000      1995.921      -87.5  
1 1 1 7  7  27 o 86.58000       2.201000      1424.731      -164.5 
1 1 1 7  7  28 o 537.9000       10.69000      3203.837      -83.9  
1 1 1 7  7  29 o 149.1000       3.990000      1958.709      -11.9  
1 1 1 7  7  30 o 310.9000       10.38000      2368.907      -13.6  
1 1 1 7  7  31 o 181.1000       5.023000      1675.121      -142.6 
1 1 1 7  7  32 o 28.79000       1.551000      534.0397      -4.5   
1 1 1 7  7  33 o 282.9000       6.291000      2723.985      121.7  
1 1 1 7  7  34 o 313.7000       6.408000      2434.729      53.4   
1 1 1 7  7  35 o 69.71000       1.917000      1137.170      -104.4 
1 1 1 7  7  36 o 54.80000       1.814000      1332.843      175.1  
1 1 1 7  7  37 o 21.28000       1.693000      490.0675      142.8  
1 1 1 7  7  38 o 34.20000       1.861000      693.5045      -87.9  
1 1 1 7  7  39 o 34.87000       1.379000      793.3550      -53.6  
1 1 1 7  7  40 o 73.52000       1.935000      1221.580      -116.2 
1 1 1 7  7  41 o 94.85000       2.296000      1551.695      -138.6 
1 1 1 7  7  42 o 143.7000       3.183000      2031.417      84.5   
1 1 1 7  7  43 o 12.19000       1.094000      299.3548      38.1   
1 1 1 7  7  44 o 14.73000       1.110000      410.4366      25.8   
1 1 1 7  7  45 o 49.19000       1.573000      1025.390      -0.2   
1 1 1 7  7  46 o 36.06000       1.395000      986.0681      82.6   
1 1 1 7  7  47 o 14.56000       1.320000      542.6249      -169.8 
1 1 1 7  7  48 o 19.98000       1.429000      587.1136      77.4   
1 1 1 7  7  49 o 79.89000       2.168000      1203.598      42.8   
1 1 1 7  7  50 o 43.87000       1.588000      944.5508      50.9   
1 1 1 7  7  51 o 1.967000       1.147000      245.5886      -102.7 
1 1 1 7  7  52 o 12.03000       1.245000      510.8993      31.1   
1 1 1 7  7  53 o 48.57000       1.897000      1010.953      140.0  
1 1 1 7  7  54 o 27.36000       1.946000      609.1574      18.0   
1 1 1 7  7  55 o 43.01000       1.846000      919.9831      161.4  
1 1 1 7  7  56 o 6.059000       1.342000      304.4847      132.0  
1 1 1 7  7  57 o 33.42000       1.664000      819.8032      -29.6  
1 1 1 7  7  58 o 31.97000       1.691000      829.1820      53.0   
1 1 1 7  7  59 o 16.79000       1.538000      617.4654      -153.2 
1 1 1 7  7  60 o 19.06000       1.639000      634.3479      79.0   
1 1 1 7  7  61 o 3.069000       1.503000      ?             ?      
1 1 1 7  7  62 o 5.783000       1.798000      ?             ?      
1 1 1 7  7  63 o 4.268000       1.760000      ?             ?      
1 1 1 7  7  64 o 1.744000       1.494000      ?             ?      
1 1 1 7  7  65 o 4.864000       1.513000      ?             ?      
1 1 1 7  7  66 o 17.00000       1.630000      ?             ?      
1 1 1 7  7  67 o 6.189000       1.415000      ?             ?      
1 1 1 7  7  68 o 2.920000       1.616000      ?             ?      
1 1 1 7  7  69 o 4.832000       1.863000      ?             ?      
1 1 1 7  7  70 o 1.025000       1.513000      ?             ?      
1 1 1 7  7  71 o 11.93000       1.461000      ?             ?      
1 1 1 7  7  72 o 4.000000       1.413000      ?             ?      
1 1 1 7  7  73 o 6.139000       1.441000      ?             ?      
1 1 1 7  7  76 o 3.930000       1.870000      ?             ?      
1 1 1 7  8  0  o 25.86000       0.7947000     1317.872      90.0   
1 1 1 7  8  1  o 206.3000       3.642000      1557.541      117.8  
1 1 1 7  8  2  o 90.81000       1.734000      1615.701      -135.1 
1 1 1 7  8  3  o 144.9000       2.746000      1011.243      -160.7 
1 1 1 7  8  4  o 124.8000       2.677000      1200.441      82.2   
1 1 1 7  8  5  o 39.34000       0.8535000     797.6291      17.3   
1 1 1 7  8  6  o 75.96000       1.383000      840.8638      -54.3  
1 1 1 7  8  7  o 90.54000       1.734000      1024.833      110.5  
1 1 1 7  8  8  o 24.69000       0.5667000     769.4905      -165.9 
1 1 1 7  8  9  o 11.50000       0.4821000     616.2365      120.3  
1 1 1 7  8  10 o 108.4000       2.521000      1393.137      177.1  
1 1 1 7  8  11 o 291.8000       8.129000      2391.531      26.5   
1 1 1 7  8  12 o 137.1000       3.183000      1385.950      12.8   
1 1 1 7  8  13 o 1.760000       0.3738000     117.9874      122.7  
1 1 1 7  8  14 o 201.4000       4.028000      1940.830      25.3   
1 1 1 7  8  15 o 1.802000       0.4305000     565.2643      33.2   
1 1 1 7  8  16 o 83.99000       1.790000      1475.859      -51.8  
1 1 1 7  8  17 o 118.9000       2.674000      1747.616      -4.6   
1 1 1 7  8  18 o 301.7000       7.733000      2215.172      57.7   
1 1 1 7  8  19 o 11.03000       0.8524000     164.7719      134.6  
1 1 1 7  8  20 o 77.38000       1.863000      1010.859      -23.7  
1 1 1 7  8  21 o 223.5000       4.522000      1895.275      105.9  
1 1 1 7  8  22 o 232.4000       4.693000      2369.979      159.6  
1 1 1 7  8  23 o 272.0000       5.470000      2682.858      -11.1  
1 1 1 7  8  24 o 434.5000       9.324000      2915.362      2.7    
1 1 1 7  8  25 o 150.2000       3.422000      1554.672      68.7   
1 1 1 7  8  26 o 60.05000       1.567000      1193.984      40.4   
1 1 1 7  8  27 o 143.9000       3.826000      1278.363      -15.3  
1 1 1 7  8  28 o 35.18000       1.413000      691.8190      -176.2 
1 1 1 7  8  29 o 340.9000       8.908000      2402.250      72.7   
1 1 1 7  8  30 o 270.2000       9.579000      2136.339      37.2   
1 1 1 7  8  31 o 241.3000       5.762000      2359.105      102.3  
1 1 1 7  8  32 o 682.7000       13.54000      3834.526      -54.5  
1 1 1 7  8  33 o 260.3000       5.379000      2471.252      153.3  
1 1 1 7  8  34 o 86.70000       2.178000      1648.299      36.7   
1 1 1 7  8  35 o 54.44000       1.652000      1103.419      -114.0 
1 1 1 7  8  36 o 54.35000       1.659000      814.9612      158.7  
1 1 1 7  8  37 o 8.283000       1.349000      400.9996      -147.9 
1 1 1 7  8  38 o 40.40000       1.951000      968.0124      99.8   
1 1 1 7  8  39 o 140.7000       3.385000      1695.466      5.2    
1 1 1 7  8  40 o 65.22000       1.806000      1227.410      63.7   
1 1 1 7  8  41 o 25.77000       1.237000      478.4811      -132.7 
1 1 1 7  8  42 o 22.75000       1.206000      849.0261      20.1   
1 1 1 7  8  43 o 3.752000       1.026000      461.4310      46.9   
1 1 1 7  8  44 o 16.55000       1.134000      573.3167      -143.5 
1 1 1 7  8  45 o 72.26000       1.938000      1187.031      -60.9  
1 1 1 7  8  46 o 9.644000       1.222000      425.8505      105.6  
1 1 1 7  8  47 o 62.52000       2.447000      1300.790      155.8  
1 1 1 7  8  48 o 54.66000       1.935000      1096.402      143.1  
1 1 1 7  8  49 o 22.60000       1.289000      815.0440      137.9  
1 1 1 7  8  50 o 15.83000       1.234000      799.5737      102.6  
1 1 1 7  8  51 o 28.39000       1.398000      663.6332      -174.3 
1 1 1 7  8  52 o 7.620000       1.228000      248.1323      -162.3 
1 1 1 7  8  54 o 20.36000       1.943000      765.1248      -154.8 
1 1 1 7  8  55 o 21.33000       1.996000      681.2274      67.2   
1 1 1 7  8  56 o 19.66000       1.582000      536.3003      51.5   
1 1 1 7  8  57 o 8.934000       1.407000      279.6715      -70.1  
1 1 1 7  8  58 o 17.27000       1.528000      577.3838      90.0   
1 1 1 7  8  59 o 17.06000       1.563000      635.2771      -78.9  
1 1 1 7  8  60 o 8.651000       1.473000      464.4657      -82.8  
1 1 1 7  8  61 o 6.996000       1.546000      ?             ?      
1 1 1 7  8  62 o 13.41000       1.979000      ?             ?      
1 1 1 7  8  63 o 17.41000       1.689000      ?             ?      
1 1 1 7  8  64 o 5.771000       1.427000      ?             ?      
1 1 1 7  8  65 o 19.25000       1.832000      ?             ?      
1 1 1 7  8  66 o 9.611000       1.759000      ?             ?      
1 1 1 7  8  67 o 11.96000       1.569000      ?             ?      
1 1 1 7  8  68 o 0.6648000E-01  1.576000      ?             ?      
1 1 1 7  8  69 o -2.859000      1.827000      ?             ?      
1 1 1 7  8  70 o 1.880000       1.609000      ?             ?      
1 1 1 7  8  71 o -0.9770000     1.378000      ?             ?      
1 1 1 7  8  72 o 6.342000       1.431000      ?             ?      
1 1 1 7  8  73 o 4.161000       1.423000      ?             ?      
1 1 1 7  8  74 o 2.911000       1.434000      ?             ?      
1 1 1 7  8  75 o 3.349000       1.660000      ?             ?      
1 1 1 7  9  0  o 143.8000       3.623000      1869.400      -90.0  
1 1 1 7  9  1  o 60.71000       1.172000      397.9684      -10.1  
1 1 1 7  9  2  o 65.52000       1.195000      859.8275      -39.1  
1 1 1 7  9  3  o 99.34000       1.783000      1237.622      14.6   
1 1 1 7  9  4  o 22.08000       0.5271000     1006.734      -58.5  
1 1 1 7  9  5  o 152.4000       2.763000      1419.870      -37.1  
1 1 1 7  9  6  o 112.5000       2.023000      649.0243      -107.5 
1 1 1 7  9  7  o 5.044000       0.2664000     764.1079      31.8   
1 1 1 7  9  8  o 224.9000       4.215000      2023.725      155.1  
1 1 1 7  9  9  o 72.64000       1.843000      1242.785      -177.9 
1 1 1 7  9  10 o 145.7000       3.749000      1748.201      68.9   
1 1 1 7  9  11 o 19.43000       0.6621000     508.3043      28.4   
1 1 1 7  9  12 o 93.09000       2.065000      1282.088      143.7  
1 1 1 7  9  13 o 158.6000       3.189000      1535.027      -160.0 
1 1 1 7  9  14 o 32.61000       0.8251000     703.9627      -122.1 
1 1 1 7  9  15 o 50.92000       1.164000      744.5210      -99.0  
1 1 1 7  9  16 o 133.9000       2.739000      1810.239      30.0   
1 1 1 7  9  17 o 595.6000       12.70000      3481.399      101.1  
1 1 1 7  9  18 o 100.8000       2.472000      1340.870      -70.3  
1 1 1 7  9  19 o 220.4000       5.464000      2211.481      109.8  
1 1 1 7  9  20 o 361.7000       8.314000      2608.002      46.4   
1 1 1 7  9  21 o 463.3000       9.896000      2849.173      43.8   
1 1 1 7  9  22 o 53.98000       1.582000      1045.064      132.1  
1 1 1 7  9  23 o 4.437000       0.7017000     218.3648      -17.4  
1 1 1 7  9  24 o 40.05000       1.488000      1055.474      -173.6 
1 1 1 7  9  25 o 267.2000       6.680000      2646.565      12.0   
1 1 1 7  9  26 o 234.3000       4.794000      1904.106      -149.9 
1 1 1 7  9  27 o 1156.000       24.59000      4346.708      132.4  
1 1 1 7  9  28 o 403.7000       8.745000      2927.199      -58.6  
1 1 1 7  9  29 o 21.02000       1.283000      817.3061      76.4   
1 1 1 7  9  30 o 64.18000       2.377000      1404.082      12.6   
1 1 1 7  9  31 o 29.99000       1.415000      583.5038      113.9  
1 1 1 7  9  32 o 37.61000       1.449000      906.6864      11.5   
1 1 1 7  9  33 o 335.0000       6.805000      2774.747      45.2   
1 1 1 7  9  34 o 343.3000       6.958000      2754.481      -133.7 
1 1 1 7  9  35 o 17.27000       1.174000      569.7792      151.1  
1 1 1 7  9  36 o 3.747000       1.079000      238.1278      20.9   
1 1 1 7  9  37 o 287.4000       6.383000      2337.948      -174.3 
1 1 1 7  9  38 o 32.95000       1.840000      1098.602      -5.7   
1 1 1 7  9  39 o 187.1000       5.207000      2084.455      141.6  
1 1 1 7  9  40 o 23.01000       1.236000      452.9693      -51.5  
1 1 1 7  9  41 o 169.0000       3.656000      2101.999      156.2  
1 1 1 7  9  42 o 223.4000       4.685000      ?             ?      
1 1 1 7  9  43 o 5.930000       1.031000      449.6010      168.5  
1 1 1 7  9  44 o 156.3000       3.434000      ?             ?      
1 1 1 7  9  45 o 18.15000       1.161000      384.5233      -104.6 
1 1 1 7  9  46 o 17.44000       1.304000      673.2302      -33.0  
1 1 1 7  9  47 o 119.9000       3.247000      ?             ?      
1 1 1 7  9  48 o 5.671000       1.114000      430.3432      -18.3  
1 1 1 7  9  49 o 55.82000       1.744000      1137.989      42.0   
1 1 1 7  9  50 o 13.25000       1.205000      602.9901      -8.0   
1 1 1 7  9  51 o 38.23000       1.541000      704.3803      -177.9 
1 1 1 7  9  52 o 42.23000       1.625000      966.4168      -138.6 
1 1 1 7  9  53 o 32.11000       1.673000      785.8253      126.3  
1 1 1 7  9  54 o 34.46000       1.710000      853.3104      147.9  
1 1 1 7  9  56 o 21.04000       1.619000      586.1873      26.4   
1 1 1 7  9  57 o 6.328000       1.406000      421.3674      44.3   
1 1 1 7  9  58 o 11.59000       1.468000      438.8219      117.0  
1 1 1 7  9  59 o 36.16000       1.763000      969.8500      146.5  
1 1 1 7  9  60 o 6.040000       1.458000      351.0574      30.4   
1 1 1 7  9  61 o 13.25000       1.705000      ?             ?      
1 1 1 7  9  62 o 35.86000       2.185000      ?             ?      
1 1 1 7  9  63 o 24.57000       1.678000      ?             ?      
1 1 1 7  9  64 o 7.082000       1.404000      ?             ?      
1 1 1 7  9  65 o 6.213000       1.482000      ?             ?      
1 1 1 7  9  66 o 6.490000       1.497000      ?             ?      
1 1 1 7  9  67 o 4.683000       1.675000      ?             ?      
1 1 1 7  9  68 o 2.408000       1.663000      ?             ?      
1 1 1 7  9  69 o 1.897000       1.801000      ?             ?      
1 1 1 7  9  70 o 11.15000       2.529000      ?             ?      
1 1 1 7  9  71 o 6.663000       1.550000      ?             ?      
1 1 1 7  9  72 o 0.6860000      1.391000      ?             ?      
1 1 1 7  9  73 o -0.1213000     1.411000      ?             ?      
1 1 1 7  9  75 o 5.027000       1.866000      ?             ?      
1 1 1 7  9  76 o 4.564000       1.921000      ?             ?      
1 1 1 7  10 0  o 0.3385000      0.2816000     474.1279      -90.0  
1 1 1 7  10 1  o 36.03000       0.7660000     799.5822      100.3  
1 1 1 7  10 2  o 8.068000       0.2839000     520.8502      130.6  
1 1 1 7  10 3  o 59.06000       1.090000      1200.820      174.5  
1 1 1 7  10 4  o 47.76000       1.096000      1152.201      0.8    
1 1 1 7  10 5  o 137.4000       2.507000      1342.128      16.1   
1 1 1 7  10 6  o 36.57000       0.8296000     788.4550      126.7  
1 1 1 7  10 7  o 70.19000       1.706000      883.7096      142.8  
1 1 1 7  10 8  o 16.66000       0.5348000     887.5842      67.9   
1 1 1 7  10 9  o 116.5000       2.701000      1371.180      -147.9 
1 1 1 7  10 10 o 310.7000       7.897000      1948.860      87.2   
1 1 1 7  10 11 o 87.80000       2.348000      1038.910      -58.5  
1 1 1 7  10 12 o 153.9000       3.093000      1540.327      -80.6  
1 1 1 7  10 13 o 25.11000       0.6877000     764.9695      -136.3 
1 1 1 7  10 14 o 33.30000       0.8368000     694.4274      78.3   
1 1 1 7  10 15 o 8.661000       0.4882000     591.7144      -71.1  
1 1 1 7  10 16 o 119.3000       2.465000      1063.664      56.6   
1 1 1 7  10 17 o 37.50000       0.9778000     773.8394      105.6  
1 1 1 7  10 18 o 16.24000       0.8136000     236.5312      29.4   
1 1 1 7  10 19 o 87.71000       2.748000      1695.569      141.8  
1 1 1 7  10 20 o 162.0000       4.300000      2035.476      20.6   
1 1 1 7  10 21 o 934.1000       21.22000      4447.692      -161.8 
1 1 1 7  10 22 o 62.85000       1.904000      1121.270      150.5  
1 1 1 7  10 23 o 358.8000       7.162000      2766.261      84.2   
1 1 1 7  10 24 o 153.8000       3.503000      1448.483      -84.4  
1 1 1 7  10 25 o 712.9000       15.24000      3693.216      97.4   
1 1 1 7  10 26 o 54.58000       1.495000      792.5013      118.4  
1 1 1 7  10 27 o 176.0000       3.691000      1891.657      -33.2  
1 1 1 7  10 28 o 81.66000       2.270000      1205.241      95.6   
1 1 1 7  10 29 o 195.0000       5.702000      2104.182      94.3   
1 1 1 7  10 30 o 219.9000       5.255000      1872.091      -70.6  
1 1 1 7  10 31 o 166.9000       3.588000      1809.003      91.2   
1 1 1 7  10 32 o 50.43000       1.736000      890.6960      -109.7 
1 1 1 7  10 33 o 315.6000       6.413000      2417.143      -3.9   
1 1 1 7  10 34 o 37.18000       1.387000      796.6743      60.5   
1 1 1 7  10 35 o 261.5000       5.383000      2637.829      -167.9 
1 1 1 7  10 36 o 25.93000       1.247000      562.3205      -113.7 
1 1 1 7  10 37 o 21.31000       1.295000      814.6451      150.6  
1 1 1 7  10 38 o -1.186000      1.481000      73.89279      79.2   
1 1 1 7  10 39 o 236.6000       6.408000      2388.793      7.8    
1 1 1 7  10 40 o 69.51000       2.279000      1258.208      -90.5  
1 1 1 7  10 41 o 46.95000       1.531000      958.9598      156.8  
1 1 1 7  10 42 o 32.18000       1.308000      731.7866      -29.0  
1 1 1 7  10 43 o 36.56000       1.374000      801.7791      -174.7 
1 1 1 7  10 44 o 77.40000       2.021000      1316.408      -53.8  
1 1 1 7  10 45 o 33.40000       1.518000      734.5492      -20.0  
1 1 1 7  10 46 o 11.92000       1.443000      519.8793      112.4  
1 1 1 7  10 47 o 47.76000       1.798000      898.5388      140.4  
1 1 1 7  10 48 o 6.111000       1.128000      446.7126      62.4   
1 1 1 7  10 49 o 72.57000       2.020000      1151.414      116.7  
1 1 1 7  10 50 o 11.17000       1.190000      401.3867      -124.4 
1 1 1 7  10 51 o 12.79000       1.235000      457.4683      150.8  
1 1 1 7  10 52 o 18.17000       1.317000      420.6263      89.2   
1 1 1 7  10 53 o 19.20000       1.353000      754.3711      -109.7 
1 1 1 7  10 54 o 33.25000       1.696000      784.1053      -163.3 
1 1 1 7  10 55 o 69.31000       2.869000      ?             ?      
1 1 1 7  10 56 o 30.22000       2.200000      970.5844      -9.3   
1 1 1 7  10 57 o 13.31000       1.462000      526.8665      -145.2 
1 1 1 7  10 58 o 4.872000       1.428000      279.6695      78.0   
1 1 1 7  10 59 o 8.894000       1.466000      312.2686      -91.2  
1 1 1 7  10 60 o 14.95000       1.632000      496.9584      176.1  
1 1 1 7  10 61 o 9.126000       1.854000      ?             ?      
1 1 1 7  10 62 o 23.64000       1.794000      ?             ?      
1 1 1 7  10 63 o 2.216000       1.387000      ?             ?      
1 1 1 7  10 64 o 14.97000       1.562000      ?             ?      
1 1 1 7  10 65 o 15.91000       1.497000      ?             ?      
1 1 1 7  10 66 o -0.5563000     1.354000      ?             ?      
1 1 1 7  10 67 o 3.010000       1.453000      ?             ?      
1 1 1 7  10 68 o 2.992000       1.463000      ?             ?      
1 1 1 7  10 69 o 5.105000       2.158000      ?             ?      
1 1 1 7  10 72 o 3.953000       1.520000      ?             ?      
1 1 1 7  10 75 o 6.761000       1.906000      ?             ?      
1 1 1 7  11 0  o 93.17000       2.642000      1402.249      90.0   
1 1 1 7  11 1  o 132.6000       2.507000      1992.024      49.4   
1 1 1 7  11 2  o 4.283000       0.2383000     393.6570      -83.7  
1 1 1 7  11 3  o 25.93000       0.5906000     998.8389      83.4   
1 1 1 7  11 4  o 241.8000       4.274000      1897.783      -148.7 
1 1 1 7  11 5  o 56.55000       1.134000      1032.442      39.1   
1 1 1 7  11 6  o 2.394000       0.2831000     346.2881      169.2  
1 1 1 7  11 7  o 90.47000       1.652000      1496.740      111.4  
1 1 1 7  11 8  o 9.099000       0.4505000     273.4142      28.2   
1 1 1 7  11 9  o 75.06000       2.051000      1303.846      -50.1  
1 1 1 7  11 10 o 20.06000       0.6978000     559.6607      -92.3  
1 1 1 7  11 11 o 6.818000       0.3761000     549.3089      38.5   
1 1 1 7  11 12 o 24.33000       0.6544000     548.9188      -30.1  
1 1 1 7  11 13 o 23.88000       0.6711000     780.8923      -156.5 
1 1 1 7  11 14 o 20.13000       0.6211000     768.9636      -172.7 
1 1 1 7  11 15 o 24.64000       0.7195000     507.1369      77.4   
1 1 1 7  11 16 o 35.11000       1.011000      1049.352      -68.1  
1 1 1 7  11 17 o 850.9000       18.04000      ?             ?      
1 1 1 7  11 18 o 75.41000       1.941000      1069.180      -110.8 
1 1 1 7  11 19 o 155.4000       4.141000      1832.567      132.7  
1 1 1 7  11 20 o 89.79000       2.421000      1456.014      -90.8  
1 1 1 7  11 21 o 303.9000       7.032000      2244.483      96.2   
1 1 1 7  11 22 o 190.5000       4.808000      1911.174      -157.0 
1 1 1 7  11 23 o 131.9000       3.023000      1614.328      110.3  
1 1 1 7  11 24 o 412.9000       8.228000      3284.306      -173.0 
1 1 1 7  11 25 o 260.5000       5.285000      2314.918      32.2   
1 1 1 7  11 26 o 1669.000       32.76000      ?             ?      
1 1 1 7  11 27 o 108.9000       2.461000      1854.062      147.3  
1 1 1 7  11 28 o 69.28000       2.038000      1135.063      152.0  
1 1 1 7  11 29 o 6.914000       1.327000      286.5572      -47.1  
1 1 1 7  11 30 o 19.09000       1.182000      241.0820      54.9   
1 1 1 7  11 31 o 338.9000       6.860000      2453.932      79.0   
1 1 1 7  11 32 o 43.99000       1.606000      659.5724      -171.9 
1 1 1 7  11 33 o 284.3000       5.817000      2645.746      -78.3  
1 1 1 7  11 34 o 9.671000       1.093000      373.7296      -82.8  
1 1 1 7  11 35 o 81.37000       2.063000      1391.147      -38.6  
1 1 1 7  11 36 o 74.54000       1.948000      1045.969      -101.5 
1 1 1 7  11 37 o 46.63000       1.517000      992.3967      127.3  
1 1 1 7  11 38 o 367.8000       8.070000      ?             ?      
1 1 1 7  11 39 o 14.25000       1.734000      160.0131      17.3   
1 1 1 7  11 40 o 62.64000       2.381000      871.3615      -111.6 
1 1 1 7  11 41 o 89.99000       2.407000      1628.431      50.4   
1 1 1 7  11 42 o 53.18000       1.608000      1058.735      23.4   
1 1 1 7  11 43 o 50.55000       1.582000      950.3613      115.7  
1 1 1 7  11 44 o 25.43000       1.255000      765.8775      40.0   
1 1 1 7  11 45 o 18.90000       1.335000      310.9173      79.2   
1 1 1 7  11 46 o 22.60000       1.439000      554.9961      -70.4  
1 1 1 7  11 47 o 36.56000       1.460000      863.5751      -167.7 
1 1 1 7  11 48 o 61.42000       1.839000      1302.323      1.5    
1 1 1 7  11 49 o 33.38000       1.427000      715.1671      37.7   
1 1 1 7  11 50 o 38.45000       1.517000      836.6334      -129.7 
1 1 1 7  11 51 o 6.224000       1.187000      563.2548      134.7  
1 1 1 7  11 52 o 34.82000       1.516000      1002.752      -146.4 
1 1 1 7  11 53 o 7.725000       1.263000      288.1079      -48.8  
1 1 1 7  11 54 o 5.619000       1.277000      474.7413      -110.2 
1 1 1 7  11 55 o 26.33000       1.825000      653.9987      93.7   
1 1 1 7  11 56 o 23.36000       2.120000      858.1793      -48.9  
1 1 1 7  11 57 o 15.24000       1.583000      673.2474      100.3  
1 1 1 7  11 58 o 5.747000       1.425000      434.2841      -140.5 
1 1 1 7  11 59 o 11.48000       1.476000      484.5511      127.0  
1 1 1 7  11 60 o 8.036000       1.662000      594.1886      130.0  
1 1 1 7  11 61 o 10.55000       1.867000      ?             ?      
1 1 1 7  11 62 o 5.569000       1.511000      ?             ?      
1 1 1 7  11 63 o 3.785000       1.394000      ?             ?      
1 1 1 7  11 64 o 9.487000       1.416000      ?             ?      
1 1 1 7  11 65 o 5.058000       1.384000      ?             ?      
1 1 1 7  11 66 o 7.346000       1.403000      ?             ?      
1 1 1 7  11 67 o 6.836000       1.391000      ?             ?      
1 1 1 7  11 68 o 3.932000       1.367000      ?             ?      
1 1 1 7  11 69 o 5.809000       1.519000      ?             ?      
1 1 1 7  11 70 o -0.3983000     1.841000      ?             ?      
1 1 1 7  11 71 o 4.038000       2.437000      ?             ?      
1 1 1 7  11 72 o -2.073000      2.113000      ?             ?      
1 1 1 7  11 73 o 4.197000       1.642000      ?             ?      
1 1 1 7  11 74 o 2.760000       1.799000      ?             ?      
1 1 1 7  11 75 o -1.665000      1.829000      ?             ?      
1 1 1 7  12 0  o 111.9000       3.157000      1287.664      90.0   
1 1 1 7  12 1  o 133.3000       2.519000      1724.001      -127.0 
1 1 1 7  12 2  o 123.3000       2.458000      1472.851      164.1  
1 1 1 7  12 3  o 35.51000       0.7459000     1182.468      170.7  
1 1 1 7  12 4  o 426.6000       7.502000      2740.264      93.2   
1 1 1 7  12 5  o 20.00000       0.5861000     367.2768      36.8   
1 1 1 7  12 6  o 11.97000       0.4047000     332.9207      -144.5 
1 1 1 7  12 7  o 1.811000       0.3305000     398.2303      33.4   
1 1 1 7  12 8  o 304.4000       6.928000      1953.424      73.8   
1 1 1 7  12 9  o 128.4000       3.321000      1448.376      165.7  
1 1 1 7  12 10 o 59.66000       1.468000      1322.128      116.3  
1 1 1 7  12 11 o 89.73000       1.769000      1477.030      -84.5  
1 1 1 7  12 12 o 27.26000       0.7111000     400.7707      -162.5 
1 1 1 7  12 13 o 66.82000       1.569000      1144.958      146.5  
1 1 1 7  12 14 o 1.809000       0.4694000     606.8327      -30.2  
1 1 1 7  12 15 o 9.999000       0.5226000     1075.749      -53.9  
1 1 1 7  12 16 o 910.1000       19.34000      ?             ?      
1 1 1 7  12 17 o 133.0000       3.379000      1908.363      -87.4  
1 1 1 7  12 18 o 146.5000       3.261000      1676.040      145.1  
1 1 1 7  12 19 o 372.5000       8.020000      2644.866      -153.9 
1 1 1 7  12 20 o 110.0000       3.070000      1521.135      -45.1  
1 1 1 7  12 21 o 215.0000       5.679000      2142.372      -131.2 
1 1 1 7  12 22 o 249.1000       5.442000      2012.795      32.8   
1 1 1 7  12 23 o 452.7000       9.000000      3042.510      -161.6 
1 1 1 7  12 24 o 711.8000       14.05000      3375.459      -105.5 
1 1 1 7  12 25 o 8.656000       0.8810000     458.9049      -6.4   
1 1 1 7  12 26 o 325.3000       6.559000      2510.853      -78.2  
1 1 1 7  12 27 o 257.3000       6.039000      2061.131      -33.4  
1 1 1 7  12 28 o 256.5000       7.359000      2210.654      42.7   
1 1 1 7  12 29 o 152.8000       3.801000      2029.540      -159.9 
1 1 1 7  12 30 o 22.24000       1.202000      634.4244      -98.3  
1 1 1 7  12 31 o 23.59000       1.245000      770.6205      -92.8  
1 1 1 7  12 32 o 276.0000       5.648000      2522.593      58.9   
1 1 1 7  12 33 o 121.1000       2.745000      1385.329      1.6    
1 1 1 7  12 34 o 39.87000       1.407000      685.1243      60.1   
1 1 1 7  12 35 o 7.468000       1.064000      534.1558      -139.7 
1 1 1 7  12 36 o 134.9000       3.011000      1961.128      48.6   
1 1 1 7  12 37 o 13.58000       1.100000      714.5084      -172.4 
1 1 1 7  12 38 o 134.8000       3.264000      1915.456      -19.2  
1 1 1 7  12 39 o 70.79000       2.534000      1023.825      -140.2 
1 1 1 7  12 40 o 6.218000       1.513000      561.3654      120.8  
1 1 1 7  12 41 o 35.86000       1.487000      881.5621      -150.1 
1 1 1 7  12 42 o 13.20000       1.101000      446.7579      177.5  
1 1 1 7  12 43 o 47.94000       1.545000      1055.244      -79.1  
1 1 1 7  12 44 o 161.3000       4.062000      ?             ?      
1 1 1 7  12 45 o 39.63000       1.930000      878.0081      60.9   
1 1 1 7  12 46 f 99.41000       2.810000      1400.713      102.1  
1 1 1 7  12 47 o 10.53000       1.150000      442.2551      127.7  
1 1 1 7  12 48 o 23.14000       1.293000      622.3691      36.5   
1 1 1 7  12 49 o 5.960000       1.143000      357.9557      148.4  
1 1 1 7  12 50 o 12.92000       1.219000      564.8015      -68.3  
1 1 1 7  12 51 o 33.80000       1.473000      830.8886      44.9   
1 1 1 7  12 52 o 7.096000       1.241000      246.8480      -83.8  
1 1 1 7  12 53 o 18.28000       1.365000      608.1227      -69.2  
1 1 1 7  12 54 o 34.79000       1.586000      910.3889      30.4   
1 1 1 7  12 55 o 19.38000       1.575000      560.9579      51.4   
1 1 1 7  12 56 o 12.98000       2.007000      509.4726      -12.0  
1 1 1 7  12 57 o 7.187000       1.962000      463.1218      174.1  
1 1 1 7  12 58 o 13.98000       1.504000      586.6892      150.8  
1 1 1 7  12 59 o -1.244000      1.496000      216.9395      -102.7 
1 1 1 7  12 60 o 9.602000       1.678000      ?             ?      
1 1 1 7  12 61 o 9.713000       1.660000      ?             ?      
1 1 1 7  12 62 o 1.102000       1.387000      ?             ?      
1 1 1 7  12 63 o 0.6069000      1.363000      ?             ?      
1 1 1 7  12 64 o 2.922000       1.359000      ?             ?      
1 1 1 7  12 65 o -0.3456000     1.338000      ?             ?      
1 1 1 7  12 66 o 15.55000       1.471000      ?             ?      
1 1 1 7  12 67 o 4.021000       1.352000      ?             ?      
1 1 1 7  12 68 o 3.064000       1.361000      ?             ?      
1 1 1 7  12 69 o 5.655000       1.400000      ?             ?      
1 1 1 7  12 70 o 10.32000       1.603000      ?             ?      
1 1 1 7  12 72 o -0.5414000     2.312000      ?             ?      
1 1 1 7  12 73 o 1.227000       1.631000      ?             ?      
1 1 1 7  12 74 o 1.727000       1.816000      ?             ?      
1 1 1 7  12 75 o 1.782000       1.828000      ?             ?      
1 1 1 7  13 0  o 83.15000       2.379000      1500.383      90.0   
1 1 1 7  13 1  o 19.13000       0.4911000     556.8167      -87.7  
1 1 1 7  13 2  o 106.0000       2.027000      1622.308      -171.3 
1 1 1 7  13 3  o 62.27000       1.290000      789.2014      -179.3 
1 1 1 7  13 4  o 88.94000       1.628000      1226.536      105.0  
1 1 1 7  13 5  o 1.674000       0.2657000     166.8050      169.4  
1 1 1 7  13 6  o 30.59000       0.7517000     595.3447      -146.8 
1 1 1 7  13 7  o 10.85000       0.4576000     357.6412      57.6   
1 1 1 7  13 8  o 119.1000       3.408000      1611.052      -41.3  
1 1 1 7  13 9  o 157.5000       4.445000      2027.755      148.0  
1 1 1 7  13 10 o 18.61000       0.6389000     694.7784      -35.7  
1 1 1 7  13 11 o 2.287000       0.4130000     675.0328      -18.2  
1 1 1 7  13 12 o 39.75000       1.025000      895.9396      42.9   
1 1 1 7  13 13 o 316.4000       6.269000      2338.757      106.5  
1 1 1 7  13 14 o 125.8000       3.214000      1828.263      -156.4 
1 1 1 7  13 15 o 958.5000       20.39000      ?             ?      
1 1 1 7  13 16 o 203.0000       4.092000      2169.712      16.6   
1 1 1 7  13 17 o 707.6000       15.05000      3553.041      112.8  
1 1 1 7  13 18 o 188.6000       4.153000      2161.388      -96.1  
1 1 1 7  13 19 o 474.6000       10.17000      2962.103      -158.0 
1 1 1 7  13 20 o 291.6000       6.752000      2362.652      -89.4  
1 1 1 7  13 21 o 769.2000       18.56000      3807.594      57.7   
1 1 1 7  13 22 o 176.3000       4.222000      2109.624      -22.2  
1 1 1 7  13 23 o 244.9000       5.374000      2417.768      14.9   
1 1 1 7  13 24 f 149.2000       3.160000      1630.582      -156.6 
1 1 1 7  13 25 o 279.3000       5.651000      2411.858      11.7   
1 1 1 7  13 26 o 329.7000       6.643000      2943.075      164.6  
1 1 1 7  13 27 o 139.6000       3.473000      1828.341      113.7  
1 1 1 7  13 28 o 140.8000       3.926000      1719.567      -36.3  
1 1 1 7  13 29 o 101.6000       2.601000      1482.611      -41.7  
1 1 1 7  13 30 o 71.32000       1.896000      1351.352      121.5  
1 1 1 7  13 31 o 108.8000       2.545000      1540.689      -171.5 
1 1 1 7  13 32 o 111.6000       2.584000      1390.522      -157.8 
1 1 1 7  13 33 o 153.0000       3.328000      1471.065      163.5  
1 1 1 7  13 34 o 73.21000       1.932000      1413.734      156.9  
1 1 1 7  13 35 o 38.99000       1.396000      871.1422      79.0   
1 1 1 7  13 36 o 28.00000       1.261000      714.4093      -35.1  
1 1 1 7  13 37 o 40.04000       1.399000      1228.376      75.2   
1 1 1 7  13 38 o 12.61000       1.078000      401.0851      -112.8 
1 1 1 7  13 39 o 26.09000       1.345000      751.6846      -24.0  
1 1 1 7  13 40 o 42.18000       1.991000      931.2365      -169.1 
1 1 1 7  13 41 o 180.9000       4.543000      ?             ?      
1 1 1 7  13 42 o 34.27000       1.479000      739.7953      -76.0  
1 1 1 7  13 43 o 84.66000       2.161000      1316.147      78.1   
1 1 1 7  13 44 o 89.11000       2.560000      1390.634      83.2   
1 1 1 7  13 45 o 25.93000       1.485000      895.7634      -48.6  
1 1 1 7  13 46 o 5.499000       1.111000      347.3697      127.5  
1 1 1 7  13 47 o 8.507000       1.220000      425.8434      79.9   
1 1 1 7  13 48 o 19.56000       1.252000      671.4641      108.6  
1 1 1 7  13 49 o 79.73000       2.150000      1287.542      141.1  
1 1 1 7  13 50 o 4.606000       1.162000      262.8544      -72.5  
1 1 1 7  13 51 o 44.44000       1.633000      1009.753      40.6   
1 1 1 7  13 52 o 33.85000       1.511000      918.3334      170.3  
1 1 1 7  13 53 o 26.70000       1.453000      621.2891      -42.6  
1 1 1 7  13 54 o 17.69000       1.398000      557.8440      51.1   
1 1 1 7  13 55 o 15.83000       1.419000      652.7369      -12.8  
1 1 1 7  13 56 o 25.28000       1.880000      763.3560      -138.3 
1 1 1 7  13 57 o 10.89000       1.992000      452.7948      145.4  
1 1 1 7  13 58 o 3.477000       1.514000      214.5266      -75.5  
1 1 1 7  13 59 o 10.49000       1.675000      333.0434      6.1    
1 1 1 7  13 60 o 7.069000       1.940000      ?             ?      
1 1 1 7  13 61 o 23.83000       1.809000      ?             ?      
1 1 1 7  13 62 o 8.080000       1.424000      ?             ?      
1 1 1 7  13 63 o 2.055000       1.365000      ?             ?      
1 1 1 7  13 64 o 1.814000       1.334000      ?             ?      
1 1 1 7  13 65 o 2.530000       1.352000      ?             ?      
1 1 1 7  13 66 o 4.356000       1.363000      ?             ?      
1 1 1 7  13 67 o 0.4098000      1.349000      ?             ?      
1 1 1 7  13 68 o 0.9552000      1.364000      ?             ?      
1 1 1 7  13 69 o 2.092000       1.379000      ?             ?      
1 1 1 7  13 71 o 1.908000       1.869000      ?             ?      
1 1 1 7  13 72 o 1.535000       1.867000      ?             ?      
1 1 1 7  13 74 o -1.035000      1.642000      ?             ?      
1 1 1 7  13 75 o 1.804000       1.477000      ?             ?      
1 1 1 7  14 0  o 6.470000       0.4507000     69.20768      -90.0  
1 1 1 7  14 1  o 43.96000       1.022000      796.6450      -51.6  
1 1 1 7  14 2  o 12.89000       0.3941000     824.6926      123.3  
1 1 1 7  14 3  o 83.14000       1.612000      1650.593      122.0  
1 1 1 7  14 4  o 17.53000       0.5042000     558.0684      66.3   
1 1 1 7  14 5  o 88.36000       1.951000      1025.559      -123.9 
1 1 1 7  14 6  o 5.725000       0.3994000     192.1385      -135.7 
1 1 1 7  14 7  o 93.78000       2.726000      1553.793      81.3   
1 1 1 7  14 8  o 4.120000       0.5123000     240.6254      -114.0 
1 1 1 7  14 9  o 65.75000       1.716000      825.6179      -98.6  
1 1 1 7  14 10 o 21.93000       0.6194000     533.3197      -7.0   
1 1 1 7  14 11 o 299.8000       7.301000      2818.936      111.7  
1 1 1 7  14 12 o 123.9000       3.130000      1715.841      145.3  
1 1 1 7  14 13 o 30.35000       0.8825000     743.1735      105.2  
1 1 1 7  14 14 o 143.4000       3.171000      2084.008      -119.4 
1 1 1 7  14 15 o 24.46000       0.8666000     273.8356      -161.6 
1 1 1 7  14 16 o 596.9000       11.76000      3343.307      106.3  
1 1 1 7  14 17 o 97.28000       2.263000      1381.214      -67.3  
1 1 1 7  14 18 o 107.3000       2.272000      1681.625      -175.9 
1 1 1 7  14 19 o 263.4000       5.712000      2579.612      -139.4 
1 1 1 7  14 20 o 345.1000       7.960000      2504.611      50.5   
1 1 1 7  14 21 o 14.57000       0.9480000     806.6026      -46.7  
1 1 1 7  14 22 o 150.8000       3.938000      2357.384      120.3  
1 1 1 7  14 23 o 417.9000       9.631000      2576.362      -149.3 
1 1 1 7  14 24 o 36.31000       1.288000      1023.506      -125.3 
1 1 1 7  14 25 o 71.03000       1.772000      1246.366      0.2    
1 1 1 7  14 26 o 26.41000       1.244000      713.4113      -54.6  
1 1 1 7  14 27 o 201.2000       5.840000      1925.143      24.7   
1 1 1 7  14 28 o 225.1000       5.383000      2172.724      -5.4   
1 1 1 7  14 29 o 45.18000       1.501000      604.0289      32.3   
1 1 1 7  14 30 o 37.32000       1.401000      945.1369      -24.6  
1 1 1 7  14 31 o 50.06000       1.546000      1263.205      -91.1  
1 1 1 7  14 32 o 15.47000       1.111000      377.9159      52.8   
1 1 1 7  14 33 o 33.56000       1.316000      995.2428      -90.1  
1 1 1 7  14 34 o 2.666000       1.040000      335.2956      22.0   
1 1 1 7  14 35 o 58.24000       1.678000      988.4346      113.4  
1 1 1 7  14 36 o 198.6000       4.197000      1945.278      57.8   
1 1 1 7  14 37 o 137.6000       3.056000      2075.914      -63.7  
1 1 1 7  14 38 o 22.68000       1.163000      703.2790      -62.3  
1 1 1 7  14 39 o 94.03000       2.483000      1495.123      -169.1 
1 1 1 7  14 40 o 10.52000       1.542000      361.5373      -75.1  
1 1 1 7  14 41 o 50.73000       2.191000      673.8953      4.2    
1 1 1 7  14 42 o 70.11000       2.074000      1236.324      120.5  
1 1 1 7  14 43 o 66.68000       2.106000      1529.499      -62.3  
1 1 1 7  14 44 o 47.72000       2.085000      1062.962      163.2  
1 1 1 7  14 45 o 49.10000       1.812000      943.1567      133.8  
1 1 1 7  14 46 o 3.329000       1.092000      269.0656      109.8  
1 1 1 7  14 47 o 54.04000       1.714000      1167.290      -121.9 
1 1 1 7  14 48 o 10.68000       1.168000      552.9916      -62.4  
1 1 1 7  14 49 o 13.85000       1.209000      434.9787      -93.9  
1 1 1 7  14 50 o 12.95000       1.223000      413.3575      -99.2  
1 1 1 7  14 51 o 32.57000       1.469000      805.5692      17.5   
1 1 1 7  14 52 o 4.338000       1.214000      427.0177      112.8  
1 1 1 7  14 53 o 3.931000       1.246000      344.9141      -25.7  
1 1 1 7  14 54 o 58.01000       1.930000      1143.035      -20.3  
1 1 1 7  14 55 o 10.32000       1.378000      478.1047      1.8    
1 1 1 7  14 56 o 7.197000       1.515000      399.7940      7.0    
1 1 1 7  14 57 o 2.849000       1.955000      94.50398      35.7   
1 1 1 7  14 58 o 4.618000       1.965000      323.1215      62.9   
1 1 1 7  14 59 o 5.524000       1.882000      390.6322      -70.0  
1 1 1 7  14 60 o 0.3416000      1.571000      ?             ?      
1 1 1 7  14 61 o 5.175000       1.409000      ?             ?      
1 1 1 7  14 62 o 17.58000       1.505000      ?             ?      
1 1 1 7  14 63 o -0.3229000     1.369000      ?             ?      
1 1 1 7  14 64 o 16.28000       1.482000      ?             ?      
1 1 1 7  14 65 o 13.00000       1.455000      ?             ?      
1 1 1 7  14 66 o 3.766000       1.359000      ?             ?      
1 1 1 7  14 67 o 2.463000       1.356000      ?             ?      
1 1 1 7  14 68 o 3.774000       1.376000      ?             ?      
1 1 1 7  14 69 o 7.035000       1.402000      ?             ?      
1 1 1 7  14 70 o -0.4885000     1.373000      ?             ?      
1 1 1 7  14 71 o 5.147000       1.560000      ?             ?      
1 1 1 7  14 72 o 3.539000       2.381000      ?             ?      
1 1 1 7  14 73 o 3.941000       2.250000      ?             ?      
1 1 1 7  14 74 o 4.934000       1.663000      ?             ?      
1 1 1 7  14 75 o 4.108000       1.700000      ?             ?      
1 1 1 7  15 0  o 28.08000       0.9512000     321.7838      90.0   
1 1 1 7  15 1  o 35.14000       0.7952000     896.9510      -149.0 
1 1 1 7  15 2  o 49.80000       1.068000      1322.658      172.0  
1 1 1 7  15 3  o 15.98000       0.4544000     473.4817      -74.0  
1 1 1 7  15 4  o 15.69000       0.5072000     97.32210      -0.0   
1 1 1 7  15 5  o 16.59000       0.6023000     614.8386      -90.4  
1 1 1 7  15 6  o 58.15000       1.693000      1389.671      92.8   
1 1 1 7  15 7  o 20.05000       0.7916000     562.5088      160.5  
1 1 1 7  15 8  o 0.7124000      0.4475000     567.9956      -141.2 
1 1 1 7  15 9  o 62.04000       1.944000      1292.016      60.7   
1 1 1 7  15 10 o 15.50000       0.7656000     690.8168      -158.8 
1 1 1 7  15 11 o 63.76000       1.511000      1237.180      -117.0 
1 1 1 7  15 12 o 281.1000       5.793000      2279.904      148.9  
1 1 1 7  15 13 o 22.37000       0.7818000     560.3539      5.8    
1 1 1 7  15 14 o 281.9000       5.618000      1978.596      -120.2 
1 1 1 7  15 15 o 294.4000       5.861000      2622.402      -59.5  
1 1 1 7  15 16 o 479.1000       9.464000      3001.212      43.7   
1 1 1 7  15 17 o 222.5000       4.476000      2412.248      149.9  
1 1 1 7  15 18 o 106.5000       2.480000      1230.030      -116.8 
1 1 1 7  15 19 f 258.6000       5.196000      2621.525      -101.5 
1 1 1 7  15 20 o 248.4000       5.419000      2371.117      -67.7  
1 1 1 7  15 21 o 103.4000       2.633000      1504.736      2.8    
1 1 1 7  15 22 o 106.6000       2.993000      1525.051      -90.9  
1 1 1 7  15 23 o 402.5000       9.290000      2622.847      153.8  
1 1 1 7  15 24 o 79.97000       2.194000      1487.027      49.2   
1 1 1 7  15 25 o 86.92000       2.062000      1544.414      -33.2  
1 1 1 7  15 26 o 36.90000       1.436000      1158.420      91.6   
1 1 1 7  15 27 o 187.0000       5.066000      2058.206      29.1   
1 1 1 7  15 28 o 109.6000       2.737000      1141.707      158.5  
1 1 1 7  15 29 o 63.99000       1.774000      1046.776      46.4   
1 1 1 7  15 30 o 20.10000       1.186000      612.4025      135.5  
1 1 1 7  15 31 o 19.94000       1.141000      753.6070      175.7  
1 1 1 7  15 32 o 10.22000       1.066000      344.8908      -148.7 
1 1 1 7  15 33 o 33.90000       1.319000      783.2476      83.8   
1 1 1 7  15 34 o 75.36000       1.953000      1451.734      92.0   
1 1 1 7  15 35 o 71.52000       1.884000      1124.072      126.7  
1 1 1 7  15 36 o 13.19000       1.078000      344.7387      -56.7  
1 1 1 7  15 37 o 37.40000       1.347000      1064.709      56.7   
1 1 1 7  15 38 o 11.02000       1.041000      700.4066      -5.0   
1 1 1 7  15 39 o 4.121000       1.008000      382.7200      -115.5 
1 1 1 7  15 40 o 52.37000       1.745000      919.2415      -127.5 
1 1 1 7  15 41 o 108.7000       3.277000      1385.872      -23.7  
1 1 1 7  15 42 o 3.786000       1.298000      212.1747      103.0  
1 1 1 7  15 43 o 32.13000       1.688000      653.8369      105.0  
1 1 1 7  15 44 o 20.52000       1.400000      791.1374      77.2   
1 1 1 7  15 45 o 44.38000       1.738000      906.8511      -110.9 
1 1 1 7  15 46 o 37.23000       1.452000      927.9091      32.9   
1 1 1 7  15 47 o 14.67000       1.187000      290.0400      -28.2  
1 1 1 7  15 48 o 8.268000       1.201000      331.2281      -120.7 
1 1 1 7  15 49 o 27.32000       1.380000      742.7923      36.7   
1 1 1 7  15 50 o 8.690000       1.204000      412.0770      -119.7 
1 1 1 7  15 51 o 1.607000       1.173000      67.33382      -41.3  
1 1 1 7  15 52 o 8.267000       1.244000      495.0928      91.5   
1 1 1 7  15 53 o 8.309000       1.278000      464.2979      17.5   
1 1 1 7  15 54 o 5.926000       1.305000      423.5464      3.5    
1 1 1 7  15 55 o 8.823000       1.365000      320.0642      5.2    
1 1 1 7  15 57 o 8.400000       2.036000      443.5798      -173.4 
1 1 1 7  15 58 o 11.24000       2.790000      407.4050      5.7    
1 1 1 7  15 59 o 9.017000       2.360000      364.7163      20.0   
1 1 1 7  15 60 o 0.9342000      1.561000      ?             ?      
1 1 1 7  15 61 o 6.208000       1.395000      ?             ?      
1 1 1 7  15 62 o 5.361000       1.394000      ?             ?      
1 1 1 7  15 63 o 22.66000       1.549000      ?             ?      
1 1 1 7  15 64 o 4.202000       1.379000      ?             ?      
1 1 1 7  15 65 o 11.53000       1.433000      ?             ?      
1 1 1 7  15 66 o 1.918000       1.352000      ?             ?      
1 1 1 7  15 67 o 12.07000       1.441000      ?             ?      
1 1 1 7  15 68 o 4.143000       1.370000      ?             ?      
1 1 1 7  15 69 o 0.2678000      1.355000      ?             ?      
1 1 1 7  15 70 o -0.9316000     1.355000      ?             ?      
1 1 1 7  15 71 o 1.730000       1.515000      ?             ?      
1 1 1 7  15 72 o 1.860000       2.471000      ?             ?      
1 1 1 7  15 74 o 3.003000       1.431000      ?             ?      
1 1 1 7  16 0  o 7.229000       0.5230000     293.5650      90.0   
1 1 1 7  16 1  o 3.398000       0.3375000     186.7697      125.0  
1 1 1 7  16 2  o 114.5000       2.504000      1375.615      10.6   
1 1 1 7  16 3  o 5.390000       0.3991000     673.1136      131.0  
1 1 1 7  16 4  o 3.498000       0.3817000     496.0201      -122.7 
1 1 1 7  16 5  o 14.78000       0.7008000     384.6126      -100.3 
1 1 1 7  16 6  o 1.355000       0.5471000     462.6486      54.3   
1 1 1 7  16 7  o 77.74000       3.400000      1325.126      -128.7 
1 1 1 7  16 8  o 9.375000       0.6333000     690.8831      -146.6 
1 1 1 7  16 9  o 9.339000       0.5496000     773.5856      -120.6 
1 1 1 7  16 10 o 3.919000       0.5975000     174.9467      25.4   
1 1 1 7  16 11 o 240.3000       5.184000      2308.547      163.9  
1 1 1 7  16 12 o 75.43000       1.765000      1482.138      44.3   
1 1 1 7  16 13 o 122.5000       2.726000      1686.489      -85.0  
1 1 1 7  16 14 o 6.427000       0.5281000     342.3066      20.7   
1 1 1 7  16 15 o 64.09000       1.565000      1009.667      108.9  
1 1 1 7  16 16 o 262.5000       5.250000      2317.949      97.4   
1 1 1 7  16 17 o 118.7000       2.709000      1404.504      0.1    
1 1 1 7  16 18 o 181.9000       3.706000      1893.520      -125.5 
1 1 1 7  16 19 o 29.32000       0.9362000     908.7875      -60.2  
1 1 1 7  16 20 o 213.8000       4.713000      2202.421      25.1   
1 1 1 7  16 21 o 25.51000       1.128000      874.1678      -149.4 
1 1 1 7  16 22 o 198.5000       4.734000      1782.136      159.5  
1 1 1 7  16 23 o 29.90000       1.516000      726.8558      85.1   
1 1 1 7  16 24 o 50.23000       1.714000      970.0540      154.3  
1 1 1 7  16 25 o 99.02000       2.892000      1601.731      64.2   
1 1 1 7  16 26 o 28.10000       1.413000      724.8173      -1.8   
1 1 1 7  16 27 o 4.026000       1.142000      247.5782      -78.9  
1 1 1 7  16 28 o 53.69000       1.608000      764.9838      -38.5  
1 1 1 7  16 29 o 95.16000       2.322000      1378.927      -160.1 
1 1 1 7  16 30 o 22.88000       1.173000      920.0258      121.3  
1 1 1 7  16 31 o 15.34000       1.105000      494.0316      -121.6 
1 1 1 7  16 32 o 36.38000       1.349000      718.5133      41.5   
1 1 1 7  16 33 o 45.64000       1.472000      761.4520      -69.9  
1 1 1 7  16 34 o 32.90000       1.289000      883.2614      176.8  
1 1 1 7  16 35 o 28.37000       1.232000      925.7131      -151.0 
1 1 1 7  16 36 o 47.22000       1.490000      1135.230      -73.5  
1 1 1 7  16 37 o 1.858000       0.9801000     395.8803      -74.4  
1 1 1 7  16 38 o 5.745000       0.9911000     305.6089      79.5   
1 1 1 7  16 39 o 6.009000       1.101000      453.5399      96.8   
1 1 1 7  16 40 o 27.34000       1.352000      706.4116      27.4   
1 1 1 7  16 41 o 42.96000       1.764000      1046.841      -38.4  
1 1 1 7  16 42 o 11.87000       1.753000      587.8967      167.2  
1 1 1 7  16 43 o 40.19000       2.391000      930.9645      -120.2 
1 1 1 7  16 44 o 17.66000       1.320000      643.5510      96.3   
1 1 1 7  16 45 o 12.66000       1.257000      531.9022      52.1   
1 1 1 7  16 46 o 19.42000       1.210000      565.5469      -44.9  
1 1 1 7  16 47 o 9.724000       1.131000      391.5787      -124.1 
1 1 1 7  16 48 o 1.670000       1.113000      325.9362      -104.7 
1 1 1 7  16 49 o 28.46000       1.393000      827.4311      -66.3  
1 1 1 7  16 50 o 16.15000       1.262000      628.1080      101.1  
1 1 1 7  16 51 o 5.093000       1.205000      382.3321      43.7   
1 1 1 7  16 52 o 9.540000       1.272000      543.8653      111.7  
1 1 1 7  16 53 o 2.254000       1.270000      222.2736      -16.8  
1 1 1 7  16 54 o 4.954000       1.312000      311.7191      -34.5  
1 1 1 7  16 55 o 1.706000       1.321000      9.997611      167.5  
1 1 1 7  16 56 o 3.478000       1.383000      339.6234      37.7   
1 1 1 7  16 57 o 4.433000       1.537000      183.9088      129.3  
1 1 1 7  16 58 o 3.763000       2.628000      140.8851      30.6   
1 1 1 7  16 59 o 0.1283000      1.774000      ?             ?      
1 1 1 7  16 60 o 8.877000       1.416000      ?             ?      
1 1 1 7  16 61 o -0.5968000     1.334000      ?             ?      
1 1 1 7  16 62 o 3.533000       1.366000      ?             ?      
1 1 1 7  16 63 o 8.051000       1.410000      ?             ?      
1 1 1 7  16 64 o 8.160000       1.399000      ?             ?      
1 1 1 7  16 65 o 19.79000       1.524000      ?             ?      
1 1 1 7  16 66 o 5.071000       1.368000      ?             ?      
1 1 1 7  16 67 o 1.862000       1.356000      ?             ?      
1 1 1 7  16 68 o -0.2020000     1.345000      ?             ?      
1 1 1 7  16 69 o 1.685000       1.368000      ?             ?      
1 1 1 7  16 70 o 3.090000       1.372000      ?             ?      
1 1 1 7  16 71 o 2.016000       1.579000      ?             ?      
1 1 1 7  16 72 o -2.475000      2.670000      ?             ?      
1 1 1 7  16 73 o 3.445000       2.569000      ?             ?      
1 1 1 7  16 74 o 0.7037000      1.548000      ?             ?      
1 1 1 7  17 0  o 23.88000       1.067000      942.2191      -90.0  
1 1 1 7  17 1  o 4.126000       0.4124000     65.00503      93.2   
1 1 1 7  17 2  o 17.18000       0.6800000     670.4137      -160.4 
1 1 1 7  17 3  o -0.4814000E-01 0.4328000     467.5295      58.9   
1 1 1 7  17 4  o 56.60000       1.743000      1002.977      -56.4  
1 1 1 7  17 5  o 4.171000       0.4252000     439.7169      137.4  
1 1 1 7  17 6  o 0.6167000      0.4932000     242.3840      -123.8 
1 1 1 7  17 7  o 19.54000       1.151000      1183.631      -90.3  
1 1 1 7  17 8  o 30.83000       0.9946000     1215.122      -53.8  
1 1 1 7  17 9  o 27.79000       0.8780000     619.2455      46.8   
1 1 1 7  17 10 o 10.74000       0.6826000     658.0257      -147.8 
1 1 1 7  17 11 o 32.31000       0.9579000     801.9410      -9.8   
1 1 1 7  17 12 o 33.10000       1.004000      683.2164      174.7  
1 1 1 7  17 13 o 25.14000       0.7564000     815.3409      47.6   
1 1 1 7  17 14 o 0.4006000      0.4161000     117.6214      -32.7  
1 1 1 7  17 15 o 186.1000       3.771000      1894.934      13.3   
1 1 1 7  17 16 o 3.164000       0.5288000     112.9487      -44.4  
1 1 1 7  17 17 o 57.14000       1.465000      885.8908      -125.1 
1 1 1 7  17 18 o 30.08000       1.008000      833.6060      -85.1  
1 1 1 7  17 19 o 98.94000       2.153000      1151.190      -67.1  
1 1 1 7  17 20 o 37.79000       1.317000      796.9472      140.9  
1 1 1 7  17 21 o 15.12000       0.9179000     562.3046      -174.1 
1 1 1 7  17 22 o 35.95000       1.369000      691.8339      -64.6  
1 1 1 7  17 23 o 96.03000       2.966000      1252.428      134.2  
1 1 1 7  17 24 o 26.01000       1.390000      656.4283      61.9   
1 1 1 7  17 25 o 50.75000       1.898000      1155.355      -61.8  
1 1 1 7  17 26 o 27.05000       1.431000      829.8686      77.0   
1 1 1 7  17 27 o 30.98000       1.362000      590.2507      159.1  
1 1 1 7  17 28 o 213.9000       4.480000      2069.861      -75.6  
1 1 1 7  17 29 o 12.23000       1.116000      408.9419      31.6   
1 1 1 7  17 30 o 37.79000       1.363000      958.4338      -145.4 
1 1 1 7  17 31 o 86.31000       2.133000      1190.447      154.7  
1 1 1 7  17 32 o 28.02000       1.237000      597.4064      26.7   
1 1 1 7  17 33 o 31.33000       1.267000      755.8771      129.3  
1 1 1 7  17 34 o 15.53000       1.194000      604.2845      -2.3   
1 1 1 7  17 35 o 23.40000       1.157000      403.9536      128.0  
1 1 1 7  17 36 o 9.370000       1.009000      652.1538      23.3   
1 1 1 7  17 37 o 2.328000       0.9674000     200.8309      -3.7   
1 1 1 7  17 38 o 7.372000       0.9920000     274.6126      -30.4  
1 1 1 7  17 39 o 9.181000       1.023000      443.8222      -173.4 
1 1 1 7  17 40 o 22.03000       1.176000      704.7357      -33.9  
1 1 1 7  17 41 o 5.472000       1.144000      281.1744      9.3    
1 1 1 7  17 42 o 17.23000       2.073000      559.1086      102.6  
1 1 1 7  17 43 o 9.665000       1.863000      372.1418      -176.3 
1 1 1 7  17 44 o 7.800000       1.353000      478.8022      57.4   
1 1 1 7  17 45 o 25.32000       1.279000      705.4125      -161.1 
1 1 1 7  17 46 o 0.8482000      1.075000      145.7655      -12.7  
1 1 1 7  17 47 o 19.64000       1.235000      739.3554      -14.7  
1 1 1 7  17 48 o 4.963000       1.133000      236.8344      -54.9  
1 1 1 7  17 49 o 11.61000       1.206000      459.2412      -0.2   
1 1 1 7  17 50 o 48.73000       1.716000      946.4689      -160.5 
1 1 1 7  17 51 o 4.298000       1.225000      311.2788      -175.1 
1 1 1 7  17 52 o 29.97000       1.513000      715.6119      59.3   
1 1 1 7  17 53 o 2.396000       1.275000      186.0670      -127.8 
1 1 1 7  17 54 o 2.011000       1.318000      110.1602      -102.8 
1 1 1 7  17 55 o 14.31000       1.414000      591.4268      121.1  
1 1 1 7  17 56 f 5.522000       1.378000      74.90285      111.8  
1 1 1 7  17 57 o 6.932000       1.777000      333.1917      -146.0 
1 1 1 7  17 58 o 7.312000       3.810000      446.2051      45.1   
1 1 1 7  17 59 o 3.740000       2.496000      ?             ?      
1 1 1 7  17 60 o 3.351000       1.463000      ?             ?      
1 1 1 7  17 61 o 4.668000       1.357000      ?             ?      
1 1 1 7  17 62 o 1.774000       1.360000      ?             ?      
1 1 1 7  17 63 o 2.272000       1.335000      ?             ?      
1 1 1 7  17 64 o 4.409000       1.367000      ?             ?      
1 1 1 7  17 65 o 9.506000       1.413000      ?             ?      
1 1 1 7  17 66 o 2.531000       1.350000      ?             ?      
1 1 1 7  17 67 o 7.822000       1.399000      ?             ?      
1 1 1 7  17 68 o 3.055000       1.364000      ?             ?      
1 1 1 7  17 69 o -0.3368000     1.349000      ?             ?      
1 1 1 7  17 70 o 5.616000       1.398000      ?             ?      
1 1 1 7  17 71 o -1.227000      1.558000      ?             ?      
1 1 1 7  17 72 o 0.7217000      1.804000      ?             ?      
1 1 1 7  17 73 o 1.215000       1.865000      ?             ?      
1 1 1 7  17 74 o 3.752000       1.703000      ?             ?      
1 1 1 7  18 0  o 21.96000       1.185000      694.4279      90.0   
1 1 1 7  18 1  o 7.553000       0.5241000     394.0074      -31.7  
1 1 1 7  18 2  o 24.37000       0.8230000     860.4290      74.5   
1 1 1 7  18 3  o 6.045000       0.4837000     187.7684      -115.9 
1 1 1 7  18 4  o 22.56000       0.8476000     607.1154      74.4   
1 1 1 7  18 5  o 7.104000       0.5365000     390.3788      -35.6  
1 1 1 7  18 6  o 1.793000       0.4720000     303.8136      10.3   
1 1 1 7  18 7  o 22.58000       0.8311000     713.5640      -141.5 
1 1 1 7  18 8  o 10.41000       0.6179000     471.6148      86.7   
1 1 1 7  18 9  o 17.04000       0.6892000     566.3004      -46.5  
1 1 1 7  18 10 o 5.982000       0.5602000     246.3204      82.7   
1 1 1 7  18 11 o 19.59000       0.7253000     657.5959      -166.9 
1 1 1 7  18 12 o 79.21000       1.848000      1179.444      92.9   
1 1 1 7  18 13 o 83.90000       1.949000      1295.157      -59.5  
1 1 1 7  18 14 o 0.4658000      0.4490000     444.2906      -56.5  
1 1 1 7  18 15 o 61.33000       1.512000      1261.201      87.3   
1 1 1 7  18 16 o 39.62000       1.117000      976.4364      57.9   
1 1 1 7  18 17 o 80.75000       1.931000      1404.136      -37.0  
1 1 1 7  18 18 o 12.71000       0.7465000     681.0109      148.3  
1 1 1 7  18 19 o 10.31000       0.7120000     339.0910      -90.1  
1 1 1 7  18 20 o 64.24000       1.566000      1074.455      70.7   
1 1 1 7  18 21 o 5.596000       0.8415000     416.7433      179.6  
1 1 1 7  18 22 o 54.20000       1.706000      991.5128      -43.8  
1 1 1 7  18 23 o 121.9000       3.122000      1532.269      80.2   
1 1 1 7  18 24 o 79.62000       2.657000      1329.423      -135.0 
1 1 1 7  18 25 f 4.893000       1.680000      461.5153      131.5  
1 1 1 7  18 26 o 2.378000       1.312000      268.4542      156.8  
1 1 1 7  18 27 o 16.55000       1.138000      484.8472      -144.8 
1 1 1 7  18 28 o 10.41000       1.097000      214.5738      113.7  
1 1 1 7  18 29 o 44.11000       1.427000      745.2502      -58.0  
1 1 1 7  18 30 o 29.28000       1.243000      625.4688      -122.6 
1 1 1 7  18 31 o 1.123000       0.9957000     190.8712      -174.9 
1 1 1 7  18 32 o 1.972000       0.9953000     77.66589      -48.7  
1 1 1 7  18 33 o 25.38000       1.182000      562.2050      31.3   
1 1 1 7  18 34 o 29.86000       1.226000      771.0490      -120.7 
1 1 1 7  18 35 o 1.158000       0.9625000     163.3326      -112.8 
1 1 1 7  18 36 o 13.00000       1.032000      264.7986      -123.2 
1 1 1 7  18 37 o 2.270000       0.9698000     178.6738      -87.2  
1 1 1 7  18 38 o 1.154000       0.9583000     153.3296      -101.6 
1 1 1 7  18 39 o 8.001000       1.017000      377.9474      82.8   
1 1 1 7  18 40 o 23.85000       1.191000      813.7869      -46.8  
1 1 1 7  18 41 o 12.12000       1.321000      367.4764      -121.7 
1 1 1 7  18 42 o 8.374000       1.729000      471.2568      174.5  
1 1 1 7  18 43 o 11.28000       2.207000      377.8611      -79.6  
1 1 1 7  18 44 o 17.61000       1.313000      614.9823      36.1   
1 1 1 7  18 45 o 7.017000       1.117000      390.9306      -122.3 
1 1 1 7  18 46 o 6.295000       1.109000      222.2844      -39.2  
1 1 1 7  18 47 o 3.060000       1.123000      149.9577      102.5  
1 1 1 7  18 48 o 1.447000       1.134000      152.2292      146.7  
1 1 1 7  18 49 o 7.978000       1.270000      407.2452      -79.3  
1 1 1 7  18 50 o 18.23000       1.330000      633.8552      133.1  
1 1 1 7  18 51 o 15.34000       1.329000      527.2756      -70.1  
1 1 1 7  18 52 o 1.291000       1.268000      72.77152      -59.5  
1 1 1 7  18 53 o 1.009000       1.286000      65.42404      86.7   
1 1 1 7  18 54 o 5.714000       1.340000      288.4019      69.4   
1 1 1 7  18 55 o 2.902000       1.339000      193.0691      -30.0  
1 1 1 7  18 56 o 5.332000       1.374000      354.3153      -79.9  
1 1 1 7  18 57 o 3.261000       1.517000      298.8894      128.3  
1 1 1 7  18 58 o -1.808000      1.709000      ?             ?      
1 1 1 7  18 59 o 3.694000       1.768000      ?             ?      
1 1 1 7  18 60 o -2.589000      1.431000      ?             ?      
1 1 1 7  18 61 o 3.823000       1.345000      ?             ?      
1 1 1 7  18 62 o 3.124000       1.359000      ?             ?      
1 1 1 7  18 63 o -0.7946000E-01 1.322000      ?             ?      
1 1 1 7  18 64 o 1.672000       1.342000      ?             ?      
1 1 1 7  18 65 o 1.130000       1.350000      ?             ?      
1 1 1 7  18 66 o 8.497000       1.412000      ?             ?      
1 1 1 7  18 67 o -1.204000      1.339000      ?             ?      
1 1 1 7  18 68 o 2.648000       1.340000      ?             ?      
1 1 1 7  18 69 o 1.503000       1.354000      ?             ?      
1 1 1 7  18 70 f 3.710000       1.586000      ?             ?      
1 1 1 7  18 71 o 2.337000       2.600000      ?             ?      
1 1 1 7  18 72 o 0.9491000      1.589000      ?             ?      
1 1 1 7  18 73 o -2.064000      1.830000      ?             ?      
1 1 1 7  19 0  o 18.22000       0.8938000     589.3913      -90.0  
1 1 1 7  19 1  o 16.46000       0.7100000     487.1625      126.5  
1 1 1 7  19 2  o 31.23000       1.219000      773.3908      -49.9  
1 1 1 7  19 3  o 11.00000       0.5060000     527.0743      -162.8 
1 1 1 7  19 4  o 3.018000       0.4402000     359.6204      99.3   
1 1 1 7  19 5  o 23.56000       0.8902000     664.9082      -175.6 
1 1 1 7  19 6  o 20.37000       0.8593000     512.6534      -49.8  
1 1 1 7  19 7  f 15.99000       0.8521000     566.6360      131.7  
1 1 1 7  19 8  o 15.76000       0.8272000     689.0137      -81.4  
1 1 1 7  19 9  o 42.59000       1.172000      1097.373      41.5   
1 1 1 7  19 10 o 5.909000       0.5993000     392.9017      -101.8 
1 1 1 7  19 11 o -0.2840000     0.5340000     119.4939      -15.7  
1 1 1 7  19 12 o 12.74000       0.6924000     397.1336      -109.1 
1 1 1 7  19 13 o 3.525000       0.4742000     107.7568      -88.5  
1 1 1 7  19 14 o 19.39000       0.7355000     527.8724      59.2   
1 1 1 7  19 15 o 37.20000       1.074000      912.5501      11.8   
1 1 1 7  19 16 o 33.92000       0.9988000     1048.377      -139.8 
1 1 1 7  19 17 o 15.99000       0.7166000     685.0868      -2.7   
1 1 1 7  19 18 o 11.39000       0.6859000     436.1884      57.9   
1 1 1 7  19 19 o 20.97000       0.8602000     482.3979      141.6  
1 1 1 7  19 20 o 1.963000       0.7182000     82.78092      -136.7 
1 1 1 7  19 21 o 64.83000       1.781000      1141.119      -81.8  
1 1 1 7  19 22 o 24.85000       1.144000      494.1915      -74.0  
1 1 1 7  19 23 o 4.779000       1.070000      311.5180      14.5   
1 1 1 7  19 24 o 11.66000       1.911000      478.6411      9.0    
1 1 1 7  19 25 o 5.676000       1.741000      258.3376      144.6  
1 1 1 7  19 26 o 26.06000       1.525000      499.2630      -179.1 
1 1 1 7  19 27 o 21.77000       1.199000      627.1316      -48.2  
1 1 1 7  19 28 o 43.13000       1.417000      807.0500      -20.6  
1 1 1 7  19 29 o 2.884000       0.9658000     332.5363      -160.2 
1 1 1 7  19 30 o 35.31000       1.288000      909.4016      -109.3 
1 1 1 7  19 31 o 0.8987000      0.9657000     220.7207      63.8   
1 1 1 7  19 32 o 23.18000       1.134000      689.3106      122.7  
1 1 1 7  19 33 o 37.29000       1.336000      675.1775      -174.1 
1 1 1 7  19 34 o 16.87000       1.076000      475.6013      121.4  
1 1 1 7  19 35 o 10.30000       1.008000      578.2652      66.1   
1 1 1 7  19 36 o 7.285000       0.9831000     363.3077      -21.8  
1 1 1 7  19 37 o 11.21000       1.021000      492.1739      -100.9 
1 1 1 7  19 38 o 4.829000       0.9829000     349.5337      -78.7  
1 1 1 7  19 39 o 3.566000       0.9843000     214.4530      83.1   
1 1 1 7  19 40 o 10.09000       1.055000      378.6049      20.2   
1 1 1 7  19 41 o 16.80000       1.256000      486.3927      61.1   
1 1 1 7  19 42 o 7.093000       1.460000      214.8790      -13.6  
1 1 1 7  19 43 o 1.237000       1.727000      117.6390      -34.9  
1 1 1 7  19 44 o 2.484000       1.324000      192.8407      131.4  
1 1 1 7  19 45 o 14.20000       1.308000      422.0311      -178.7 
1 1 1 7  19 46 o 0.4686000E-01  1.106000      68.99306      -35.5  
1 1 1 7  19 47 o 4.015000       1.147000      168.8566      -107.6 
1 1 1 7  19 48 o 7.470000       1.185000      246.2036      -59.1  
1 1 1 7  19 49 o 6.768000       1.216000      346.4989      -36.5  
1 1 1 7  19 50 o 5.540000       1.231000      353.3931      167.8  
1 1 1 7  19 51 o 6.030000       1.275000      261.7240      103.0  
1 1 1 7  19 52 o 13.55000       1.355000      397.5256      73.9   
1 1 1 7  19 53 o 3.046000       1.305000      255.5822      -164.1 
1 1 1 7  19 54 o 2.291000       1.333000      242.2395      131.8  
1 1 1 7  19 55 o -0.3946000E-01 1.341000      66.31095      -167.2 
1 1 1 7  19 56 o 5.157000       1.520000      308.3144      5.3    
1 1 1 7  19 57 o 2.043000       1.693000      186.1903      36.4   
1 1 1 7  19 58 o -0.9751000     1.647000      ?             ?      
1 1 1 7  19 59 o 4.038000       1.880000      ?             ?      
1 1 1 7  19 60 o 4.445000       1.793000      ?             ?      
1 1 1 7  19 61 o 3.171000       1.451000      ?             ?      
1 1 1 7  19 62 o 7.408000       1.376000      ?             ?      
1 1 1 7  19 63 o 2.239000       1.315000      ?             ?      
1 1 1 7  19 64 o 0.8137000      1.332000      ?             ?      
1 1 1 7  19 65 o 5.657000       1.372000      ?             ?      
1 1 1 7  19 66 o 3.685000       1.365000      ?             ?      
1 1 1 7  19 67 o 1.159000       1.347000      ?             ?      
1 1 1 7  19 68 o 0.4052000      1.328000      ?             ?      
1 1 1 7  19 69 o 1.519000       1.361000      ?             ?      
1 1 1 7  19 70 o 2.663000       1.576000      ?             ?      
1 1 1 7  19 71 o 0.6277000      1.573000      ?             ?      
1 1 1 7  19 72 o 2.367000       1.530000      ?             ?      
1 1 1 7  19 73 o 0.1403000E-01  1.645000      ?             ?      
1 1 1 7  20 0  o -0.2191000     0.6414000     258.7320      90.0   
1 1 1 7  20 1  o 13.55000       0.6206000     200.3304      45.0   
1 1 1 7  20 2  o -1.165000      0.4872000     185.1704      -134.3 
1 1 1 7  20 3  o 3.996000       0.4710000     215.2827      15.3   
1 1 1 7  20 4  o 0.7595000E-01  0.4649000     85.15092      -177.3 
1 1 1 7  20 5  o 6.016000       0.8048000     411.3828      -63.3  
1 1 1 7  20 6  o 7.253000       0.7490000     314.2292      -59.0  
1 1 1 7  20 7  o 9.499000       0.7067000     335.9971      124.1  
1 1 1 7  20 8  o 1.108000       0.5384000     129.6928      35.0   
1 1 1 7  20 9  o 14.98000       0.7425000     457.8357      5.5    
1 1 1 7  20 10 o 2.171000       0.6208000     150.3582      -132.2 
1 1 1 7  20 11 o -0.5838000     0.7174000     59.44502      88.1   
1 1 1 7  20 12 o 1.391000       0.5982000     221.0178      -143.2 
1 1 1 7  20 13 o 34.55000       1.065000      752.0303      -4.6   
1 1 1 7  20 14 o 0.7017000      0.5066000     266.8276      96.1   
1 1 1 7  20 15 o 0.2311000E-01  0.5108000     145.5071      80.6   
1 1 1 7  20 16 o 11.97000       0.6611000     359.3528      65.5   
1 1 1 7  20 17 o 3.042000       0.5804000     221.3963      -21.5  
1 1 1 7  20 18 o 12.67000       0.7409000     423.2729      33.0   
1 1 1 7  20 19 o 3.084000       0.7002000     194.6379      100.1  
1 1 1 7  20 20 o 4.055000       0.7606000     247.6448      1.4    
1 1 1 7  20 21 o 14.94000       0.9414000     545.5189      -50.5  
1 1 1 7  20 22 o 28.06000       1.211000      777.4325      22.4   
1 1 1 7  20 23 o 35.49000       1.692000      712.0956      140.4  
1 1 1 7  20 24 o 3.656000       1.303000      223.3607      94.0   
1 1 1 7  20 25 o 1.793000       1.414000      154.4279      30.9   
1 1 1 7  20 26 o 9.058000       1.362000      311.3819      -173.3 
1 1 1 7  20 27 f 3.502000       1.173000      136.4367      111.7  
1 1 1 7  20 28 o 8.825000       0.9754000     148.2646      158.0  
1 1 1 7  20 29 o 4.017000       0.9505000     277.1043      -48.3  
1 1 1 7  20 30 o 29.12000       1.369000      661.6125      -40.1  
1 1 1 7  20 31 o 9.707000       0.9870000     338.0556      14.2   
1 1 1 7  20 32 o 9.085000       0.9801000     417.2773      166.8  
1 1 1 7  20 33 o 19.84000       1.098000      378.5518      -104.5 
1 1 1 7  20 34 o 8.203000       1.029000      294.3846      -141.4 
1 1 1 7  20 35 o 1.784000       0.9383000     137.1815      130.4  
1 1 1 7  20 36 o 3.005000       0.9476000     176.1176      122.9  
1 1 1 7  20 37 f 7.098000       0.9853000     364.2684      141.1  
1 1 1 7  20 38 o 1.224000       0.9681000     165.3693      -32.7  
1 1 1 7  20 39 o 5.586000       1.001000      301.5684      6.6    
1 1 1 7  20 40 o 2.562000       1.064000      147.8114      -79.8  
1 1 1 7  20 41 o 12.21000       1.307000      340.0670      -148.6 
1 1 1 7  20 42 o 3.603000       1.322000      299.3913      53.2   
1 1 1 7  20 43 o 3.596000       1.282000      165.2378      71.5   
1 1 1 7  20 44 o 3.397000       1.511000      121.9389      68.5   
1 1 1 7  20 45 o 11.14000       1.301000      431.2274      -74.1  
1 1 1 7  20 46 o 3.574000       1.128000      121.8579      56.5   
1 1 1 7  20 47 o 3.868000       1.145000      147.5441      -20.0  
1 1 1 7  20 48 o 4.911000       1.183000      245.8448      -142.6 
1 1 1 7  20 49 o 2.159000       1.202000      150.9518      -63.4  
1 1 1 7  20 50 o 3.273000       1.236000      290.1250      174.9  
1 1 1 7  20 51 o 7.672000       1.300000      340.1296      -116.5 
1 1 1 7  20 52 o 2.580000       1.292000      133.1613      -38.3  
1 1 1 7  20 53 o 4.544000       1.319000      193.9114      41.2   
1 1 1 7  20 54 o 1.309000       1.326000      140.5210      -80.6  
1 1 1 7  20 55 o 1.671000       1.349000      56.33763      -52.8  
1 1 1 7  20 56 o 0.5879000E-01  1.497000      163.9686      -19.2  
1 1 1 7  20 57 o 0.8028000      1.464000      147.7403      18.3   
1 1 1 7  20 58 o -2.009000      1.309000      ?             ?      
1 1 1 7  20 59 o -0.9206000     1.476000      ?             ?      
1 1 1 7  20 60 o 1.555000       1.729000      ?             ?      
1 1 1 7  20 61 o 2.168000       1.462000      ?             ?      
1 1 1 7  20 62 o -0.6610000     1.332000      ?             ?      
1 1 1 7  20 63 o -0.1116000     1.311000      ?             ?      
1 1 1 7  20 64 o -0.9643000     1.317000      ?             ?      
1 1 1 7  20 65 o 0.8657000      1.341000      ?             ?      
1 1 1 7  20 66 o 4.507000       1.357000      ?             ?      
1 1 1 7  20 67 o -0.1410000     1.326000      ?             ?      
1 1 1 7  20 68 o 0.7408000      1.335000      ?             ?      
1 1 1 7  20 69 o 1.020000       1.533000      ?             ?      
1 1 1 7  20 70 o 6.704000       2.225000      ?             ?      
1 1 1 7  20 71 o 4.802000       2.756000      ?             ?      
1 1 1 7  20 72 o 0.8078000      1.762000      ?             ?      
1 1 1 7  20 73 o -0.8758000     2.329000      ?             ?      
1 1 1 7  21 0  o 1.497000       0.6709000     72.17773      -90.0  
1 1 1 7  21 1  o 1.086000       0.4938000     77.78215      -42.4  
1 1 1 7  21 2  o 1.861000       0.4880000     180.3172      -56.3  
1 1 1 7  21 3  o 2.344000       0.5209000     186.9812      176.6  
1 1 1 7  21 4  o 0.7804000      0.5133000     132.9661      -175.5 
1 1 1 7  21 5  o -0.6010000     0.5113000     118.0226      128.5  
1 1 1 7  21 6  o 0.4080000      0.4974000     103.8726      -173.7 
1 1 1 7  21 7  o -0.3202000     0.6202000     75.86405      49.0   
1 1 1 7  21 8  o 2.379000       0.8491000     78.61284      -43.0  
1 1 1 7  21 9  o -1.184000      0.6196000     76.01479      -56.6  
1 1 1 7  21 10 o 7.040000       0.8250000     31.86247      174.3  
1 1 1 7  21 11 o 0.8491000      0.6322000     33.42882      155.2  
1 1 1 7  21 12 o 0.9712000      0.6453000     226.3862      81.0   
1 1 1 7  21 13 o -1.091000      0.6546000     172.3104      112.9  
1 1 1 7  21 14 o 3.626000       0.6943000     291.3683      -159.1 
1 1 1 7  21 15 o -1.192000      0.5460000     17.95471      88.7   
1 1 1 7  21 16 o 2.150000       0.5658000     190.3158      -178.9 
1 1 1 7  21 17 o 3.879000       0.6640000     67.41351      -57.4  
1 1 1 7  21 18 o 2.184000       0.6651000     262.4172      49.4   
1 1 1 7  21 19 o 0.1671000      0.7243000     156.3091      -154.4 
1 1 1 7  21 20 o 38.59000       1.743000      482.3122      -99.5  
1 1 1 7  21 21 o 13.62000       0.9307000     292.0561      -56.2  
1 1 1 7  21 22 o 9.059000       1.003000      294.9304      129.8  
1 1 1 7  21 23 o -0.5337000     1.097000      232.7494      -8.3   
1 1 1 7  21 24 o 1.335000       1.384000      83.16963      -146.1 
1 1 1 7  21 25 o -0.5903000E-01 1.116000      104.5359      -179.8 
1 1 1 7  21 26 o 1.062000       1.189000      96.47926      -107.8 
1 1 1 7  21 27 o 3.837000       1.207000      294.9705      -7.2   
1 1 1 7  21 28 o 1.853000       1.034000      104.7566      63.8   
1 1 1 7  21 29 o 6.942000       0.9508000     240.8443      -87.3  
1 1 1 7  21 30 o 3.372000       0.9206000     288.5990      116.9  
1 1 1 7  21 31 o 5.265000       0.9263000     184.7942      87.2   
1 1 1 7  21 32 o 16.77000       1.045000      259.9546      -101.6 
1 1 1 7  21 33 o 13.51000       0.9963000     469.0453      -133.1 
1 1 1 7  21 34 o 1.751000       0.9090000     159.8431      -35.1  
1 1 1 7  21 35 o 6.146000       0.9448000     192.3798      124.3  
1 1 1 7  21 36 o 9.035000       0.9823000     201.2223      -110.8 
1 1 1 7  21 37 o 6.060000       0.9741000     87.68256      97.0   
1 1 1 7  21 38 o 2.187000       0.9695000     24.89474      -120.9 
1 1 1 7  21 39 o 0.6053000      0.9816000     73.88224      -13.0  
1 1 1 7  21 40 o 2.601000       1.104000      186.0308      40.3   
1 1 1 7  21 41 o 9.458000       1.268000      301.9595      104.3  
1 1 1 7  21 42 o 3.583000       1.132000      228.1937      11.8   
1 1 1 7  21 43 o 5.725000       1.201000      238.0934      145.3  
1 1 1 7  21 44 o 9.660000       1.597000      221.6059      23.7   
1 1 1 7  21 45 o 1.992000       1.342000      160.6150      -175.0 
1 1 1 7  21 46 o -0.4807000     1.224000      76.61091      -24.4  
1 1 1 7  21 47 o 2.205000       1.144000      135.1097      73.3   
1 1 1 7  21 48 o 2.326000       1.167000      88.07994      -36.8  
1 1 1 7  21 49 o 9.389000       1.253000      265.7301      -103.3 
1 1 1 7  21 50 o 1.542000       1.244000      72.39339      69.0   
1 1 1 7  21 51 o 5.297000       1.305000      190.4671      117.8  
1 1 1 7  21 52 o 3.716000       1.323000      166.3041      86.0   
1 1 1 7  21 53 o 4.468000       1.342000      252.7233      145.7  
1 1 1 7  21 54 o 2.501000       1.339000      115.2847      178.3  
1 1 1 7  21 55 o 3.261000       1.515000      238.8453      14.3   
1 1 1 7  21 56 f 1.773000       1.735000      237.9601      90.3   
1 1 1 7  21 57 o 4.100000       1.502000      ?             ?      
1 1 1 7  21 58 o 2.852000       1.363000      ?             ?      
1 1 1 7  21 59 o 4.864000       1.502000      ?             ?      
1 1 1 7  21 60 o 2.821000       1.812000      ?             ?      
1 1 1 7  21 61 o 0.7096000      1.785000      ?             ?      
1 1 1 7  21 62 o 2.722000       1.443000      ?             ?      
1 1 1 7  21 63 o 0.9849000      1.314000      ?             ?      
1 1 1 7  21 64 o 3.652000       1.340000      ?             ?      
1 1 1 7  21 65 o 2.171000       1.327000      ?             ?      
1 1 1 7  21 66 o 0.6395000      1.326000      ?             ?      
1 1 1 7  21 67 o 1.095000       1.319000      ?             ?      
1 1 1 7  21 68 o 2.944000       1.467000      ?             ?      
1 1 1 7  21 69 o 0.4382000      1.739000      ?             ?      
1 1 1 7  21 70 o 1.808000       2.397000      ?             ?      
1 1 1 7  21 71 o -1.908000      1.527000      ?             ?      
1 1 1 7  21 72 o 1.671000       1.531000      ?             ?      
1 1 1 7  22 0  o 0.4685000      0.6935000     346.5011      90.0   
1 1 1 7  22 1  o 2.297000       0.5115000     237.7939      -165.2 
1 1 1 7  22 2  o 0.4383000      0.5175000     90.90872      169.2  
1 1 1 7  22 3  o -0.2191000     0.5526000     152.7528      16.9   
1 1 1 7  22 4  o -0.1277000     0.5852000     221.4129      165.5  
1 1 1 7  22 5  o 2.804000       0.5865000     174.5445      160.4  
1 1 1 7  22 6  o 3.776000       0.6056000     109.8448      16.3   
1 1 1 7  22 7  o 0.7689000E-02  0.5167000     45.86091      -71.1  
1 1 1 7  22 8  f 2.109000       0.8169000     393.6473      32.9   
1 1 1 7  22 9  o 1.126000       0.8137000     270.6135      50.6   
1 1 1 7  22 10 o 3.275000       1.260000      343.4427      127.4  
1 1 1 7  22 11 o -0.2580000     1.227000      155.0602      -36.8  
1 1 1 7  22 12 o 6.103000       0.7671000     273.5851      43.5   
1 1 1 7  22 13 o 8.281000       0.8590000     375.6262      110.9  
1 1 1 7  22 14 o 10.69000       1.699000      103.9643      -47.4  
1 1 1 7  22 15 o -1.227000      0.9055000     120.3390      -129.5 
1 1 1 7  22 16 o 0.9336000      0.5990000     122.6609      -16.5  
1 1 1 7  22 17 o 2.466000       0.6329000     219.9138      -127.1 
1 1 1 7  22 18 o 1.903000       0.6646000     191.5950      100.8  
1 1 1 7  22 19 o -0.7402000     0.7505000     83.06364      70.9   
1 1 1 7  22 20 o -1.529000      0.9844000     80.80786      171.7  
1 1 1 7  22 21 o 2.972000       0.9384000     258.6786      175.1  
1 1 1 7  22 22 o 4.813000       0.9401000     310.7354      -7.8   
1 1 1 7  22 23 o 4.243000       1.542000      296.5651      -44.2  
1 1 1 7  22 24 o 4.610000       1.292000      304.2542      -19.2  
1 1 1 7  22 25 o 5.628000       1.100000      284.1712      53.9   
1 1 1 7  22 26 o 0.8278000      1.135000      240.8888      -64.4  
1 1 1 7  22 27 o 8.274000       1.223000      250.0296      -154.2 
1 1 1 7  22 28 o 3.512000       1.045000      74.89531      127.3  
1 1 1 7  22 29 o 9.868000       0.9524000     384.6069      -1.8   
1 1 1 7  22 30 o 5.542000       0.9111000     271.8505      27.1   
1 1 1 7  22 31 o 5.056000       0.9008000     371.6775      43.9   
1 1 1 7  22 32 o 10.97000       0.9566000     268.2696      -56.9  
1 1 1 7  22 33 o 6.454000       0.9097000     267.5980      -132.4 
1 1 1 7  22 34 o 5.547000       0.9035000     263.1107      -119.5 
1 1 1 7  22 35 o 1.713000       0.8899000     202.4242      -42.1  
1 1 1 7  22 36 o 6.604000       0.9431000     249.5721      -141.9 
1 1 1 7  22 37 o -1.174000      0.9166000     193.7494      120.5  
1 1 1 7  22 38 o 3.770000       0.9576000     200.5165      -16.3  
1 1 1 7  22 39 o -1.902000      1.024000      123.9408      118.6  
1 1 1 7  22 40 o 6.146000       1.196000      457.4438      154.4  
1 1 1 7  22 41 o 3.456000       1.134000      49.90927      -61.2  
1 1 1 7  22 42 o 1.068000       1.042000      244.3942      -156.8 
1 1 1 7  22 43 o 9.504000       1.256000      356.1226      4.1    
1 1 1 7  22 44 o 6.375000       1.334000      335.0905      -57.1  
1 1 1 7  22 45 o 5.253000       1.580000      171.4865      121.1  
1 1 1 7  22 46 o 5.337000       1.278000      338.2785      -107.9 
1 1 1 7  22 47 o 3.221000       1.153000      129.9012      -64.8  
1 1 1 7  22 48 o 2.578000       1.187000      229.5287      25.4   
1 1 1 7  22 49 o 6.764000       1.256000      303.0236      -107.0 
1 1 1 7  22 50 o 10.42000       1.322000      334.4830      -112.3 
1 1 1 7  22 51 o 6.623000       1.320000      314.9645      -99.9  
1 1 1 7  22 52 o 1.640000       1.306000      168.3406      -96.3  
1 1 1 7  22 53 o 2.000000       1.324000      76.93484      62.8   
1 1 1 7  22 54 o 2.170000       1.341000      176.8754      -168.4 
1 1 1 7  22 55 o 0.7720000      1.509000      128.9434      -103.1 
1 1 1 7  22 56 o -2.123000      1.508000      95.84085      17.4   
1 1 1 7  22 57 o -0.6756000     1.367000      ?             ?      
1 1 1 7  22 58 o 0.4625000      1.343000      ?             ?      
1 1 1 7  22 59 o 4.859000       1.359000      ?             ?      
1 1 1 7  22 60 o 2.110000       1.439000      ?             ?      
1 1 1 7  22 61 o -1.324000      1.698000      ?             ?      
1 1 1 7  22 62 o 0.8974000E-01  1.443000      ?             ?      
1 1 1 7  22 63 o 1.754000       1.308000      ?             ?      
1 1 1 7  22 64 o 2.400000       1.323000      ?             ?      
1 1 1 7  22 65 o 1.563000       1.319000      ?             ?      
1 1 1 7  22 66 o 2.387000       1.468000      ?             ?      
1 1 1 7  22 67 o 2.068000       1.462000      ?             ?      
1 1 1 7  22 68 o 3.824000       2.330000      ?             ?      
1 1 1 7  22 69 o 1.095000       1.850000      ?             ?      
1 1 1 7  22 70 o 0.8819000      1.746000      ?             ?      
1 1 1 7  22 71 o -1.093000      1.381000      ?             ?      
1 1 1 7  22 72 o 3.246000       1.542000      ?             ?      
1 1 1 7  23 0  o 0.9414000      0.7691000     94.06242      -90.0  
1 1 1 7  23 1  o 12.89000       0.6870000     545.2203      149.9  
1 1 1 7  23 2  o 0.4934000      0.6189000     91.34086      112.1  
1 1 1 7  23 3  o 11.46000       0.9350000     726.8823      -153.7 
1 1 1 7  23 4  o 0.2851000      0.5628000     106.1802      -157.4 
1 1 1 7  23 5  o 15.77000       1.031000      659.4476      118.8  
1 1 1 7  23 6  o 5.754000       0.5483000     484.7880      28.1   
1 1 1 7  23 7  o 6.524000       0.6249000     481.1320      -69.9  
1 1 1 7  23 8  o 7.314000       0.6422000     523.3086      9.4    
1 1 1 7  23 9  o 4.975000       0.7165000     351.5345      14.6   
1 1 1 7  23 10 o -0.6753000     0.6864000     96.35062      -103.0 
1 1 1 7  23 11 o 5.670000       0.8918000     404.7053      -167.7 
1 1 1 7  23 12 o 5.978000       0.9965000     431.1812      142.2  
1 1 1 7  23 13 o 5.066000       1.387000      355.8005      -166.5 
1 1 1 7  23 14 o 10.18000       1.161000      757.3492      -134.9 
1 1 1 7  23 15 o 4.539000       0.8577000     488.9916      147.8  
1 1 1 7  23 16 o 2.972000       0.6949000     149.0763      51.0   
1 1 1 7  23 17 o 2.475000       0.8820000     169.2329      150.7  
1 1 1 7  23 18 o 2.105000       0.7272000     176.7356      -22.4  
1 1 1 7  23 19 o 2.074000       0.7453000     282.3633      52.2   
1 1 1 7  23 20 o 35.18000       2.089000      785.6905      35.3   
1 1 1 7  23 21 o 15.14000       0.9459000     422.1273      51.1   
1 1 1 7  23 22 o 2.565000       0.9469000     203.0801      141.4  
1 1 1 7  23 23 o 5.760000       1.145000      430.1877      163.5  
1 1 1 7  23 24 o 31.46000       2.143000      590.1417      -139.2 
1 1 1 7  23 25 o 2.130000       1.119000      111.1448      -128.5 
1 1 1 7  23 26 o 0.2975000      1.018000      364.9524      119.4  
1 1 1 7  23 27 o 9.373000       1.084000      425.2382      21.3   
1 1 1 7  23 28 o 0.7005000      1.133000      101.3100      -130.0 
1 1 1 7  23 29 o 5.335000       1.018000      286.6389      78.1   
1 1 1 7  23 30 o 5.868000       0.8819000     277.4193      120.1  
1 1 1 7  23 31 o 5.354000       0.8880000     302.3918      -170.5 
1 1 1 7  23 32 o 13.19000       0.9566000     487.5553      -111.7 
1 1 1 7  23 33 o 10.32000       0.9307000     571.4403      81.2   
1 1 1 7  23 34 o 1.214000       0.8683000     99.95726      -14.6  
1 1 1 7  23 35 o 15.87000       0.9966000     438.0793      -75.9  
1 1 1 7  23 36 o 6.430000       0.9414000     408.8493      -46.2  
1 1 1 7  23 37 o 5.038000       0.9359000     211.3401      89.2   
1 1 1 7  23 38 o 2.109000       0.9481000     117.5512      37.9   
1 1 1 7  23 39 o 11.08000       1.134000      384.0835      9.9    
1 1 1 7  23 40 o 7.188000       1.180000      253.5250      49.0   
1 1 1 7  23 41 o 13.09000       1.165000      390.6183      137.8  
1 1 1 7  23 42 o 10.40000       1.103000      388.3657      3.2    
1 1 1 7  23 43 o 0.7181000      1.094000      56.13462      -159.1 
1 1 1 7  23 44 o 1.159000       1.224000      168.7010      -58.4  
1 1 1 7  23 45 o 8.312000       1.610000      306.0151      -52.3  
1 1 1 7  23 46 o 1.540000       1.382000      93.58663      -99.1  
1 1 1 7  23 47 o 1.346000       1.289000      296.1033      72.7   
1 1 1 7  23 48 o 22.14000       1.395000      554.5201      -1.4   
1 1 1 7  23 49 o 15.06000       1.331000      445.0634      41.8   
1 1 1 7  23 50 o 5.430000       1.279000      231.3057      9.3    
1 1 1 7  23 51 o 2.519000       1.292000      111.2268      -82.5  
1 1 1 7  23 52 o 3.810000       1.312000      210.6262      -72.8  
1 1 1 7  23 53 o 3.080000       1.322000      158.1116      36.5   
1 1 1 7  23 54 o 3.069000       1.488000      191.9733      21.7   
1 1 1 7  23 55 o -1.288000      1.721000      80.44523      -166.0 
1 1 1 7  23 56 o 6.185000       1.539000      ?             ?      
1 1 1 7  23 57 o 8.244000       1.411000      ?             ?      
1 1 1 7  23 58 o 6.176000       1.376000      ?             ?      
1 1 1 7  23 59 o -0.7042000     1.313000      ?             ?      
1 1 1 7  23 60 o 3.011000       1.452000      ?             ?      
1 1 1 7  23 61 o 5.421000       1.809000      ?             ?      
1 1 1 7  23 62 o -1.175000      1.793000      ?             ?      
1 1 1 7  23 63 o -0.3737000     1.415000      ?             ?      
1 1 1 7  23 64 o -0.5152000     1.321000      ?             ?      
1 1 1 7  23 65 o 2.730000       1.461000      ?             ?      
1 1 1 7  23 66 o 1.136000       1.677000      ?             ?      
1 1 1 7  23 67 o -2.050000      1.713000      ?             ?      
1 1 1 7  23 68 o -1.275000      1.708000      ?             ?      
1 1 1 7  23 69 o 0.5513000      1.537000      ?             ?      
1 1 1 7  23 70 o 2.758000       1.390000      ?             ?      
1 1 1 7  23 71 o 3.604000       1.970000      ?             ?      
1 1 1 7  23 72 o 0.2786000      1.643000      ?             ?      
1 1 1 7  24 0  o 32.75000       1.354000      925.2156      -90.0  
1 1 1 7  24 1  o 9.068000       0.6728000     517.8040      -85.7  
1 1 1 7  24 2  o 28.10000       1.083000      821.2853      -67.3  
1 1 1 7  24 3  o 1.140000       0.7159000     238.1130      -79.5  
1 1 1 7  24 4  o 22.54000       0.8503000     733.1050      -114.9 
1 1 1 7  24 5  o 5.354000       0.6015000     354.3890      -141.8 
1 1 1 7  24 6  o 12.99000       0.6782000     568.0486      139.7  
1 1 1 7  24 7  o 52.25000       1.276000      952.4293      91.1   
1 1 1 7  24 8  o 17.57000       0.8720000     510.6496      120.9  
1 1 1 7  24 9  o 3.249000       0.7223000     396.9634      133.7  
1 1 1 7  24 10 o 18.51000       1.074000      586.2102      -143.2 
1 1 1 7  24 11 o 3.355000       0.8899000     206.7955      8.8    
1 1 1 7  24 12 o 23.52000       1.105000      768.2435      -10.2  
1 1 1 7  24 13 o 10.50000       1.085000      289.4728      111.9  
1 1 1 7  24 14 o 1.115000       0.8798000     131.4296      -86.9  
1 1 1 7  24 15 f -0.9348000     1.090000      460.6823      142.7  
1 1 1 7  24 16 o 6.849000       1.444000      337.3524      -124.7 
1 1 1 7  24 17 o 2.525000       0.8115000     344.0223      -113.1 
1 1 1 7  24 18 o 10.88000       0.8138000     560.0125      -3.6   
1 1 1 7  24 19 o 3.783000       0.7868000     198.6569      113.6  
1 1 1 7  24 20 o 4.859000       0.8242000     138.5994      50.2   
1 1 1 7  24 21 o 8.703000       0.9099000     312.0280      63.2   
1 1 1 7  24 22 o 7.183000       1.235000      466.0988      75.1   
1 1 1 7  24 23 o 17.14000       1.397000      427.4459      125.0  
1 1 1 7  24 24 o 11.73000       1.018000      468.4777      65.4   
1 1 1 7  24 25 o 2.416000       1.050000      73.24654      14.1   
1 1 1 7  24 26 o 5.702000       1.386000      325.5148      37.4   
1 1 1 7  24 27 o 1.160000       0.8930000     392.9094      -6.4   
1 1 1 7  24 28 o 0.1246000      0.9742000     89.21017      -25.9  
1 1 1 7  24 29 o 15.96000       1.079000      577.5416      -39.8  
1 1 1 7  24 30 o 3.208000       0.8473000     236.6333      62.9   
1 1 1 7  24 31 o 30.73000       1.156000      511.0987      -74.2  
1 1 1 7  24 32 o 3.162000       0.8634000     227.6905      63.6   
1 1 1 7  24 33 f 3.508000       0.8700000     367.9525      -172.4 
1 1 1 7  24 34 o 26.89000       1.121000      619.5550      69.6   
1 1 1 7  24 35 o 9.614000       0.9424000     481.6247      -0.2   
1 1 1 7  24 36 o 11.25000       1.019000      518.6402      -178.8 
1 1 1 7  24 37 o 7.871000       0.9451000     254.5452      105.1  
1 1 1 7  24 38 o 18.42000       1.183000      588.1986      -142.3 
1 1 1 7  24 39 o 4.747000       1.110000      186.5056      -147.3 
1 1 1 7  24 40 o 12.24000       1.163000      349.3673      125.7  
1 1 1 7  24 41 o 7.555000       1.050000      435.8311      176.7  
1 1 1 7  24 42 o 10.47000       1.106000      350.1182      -21.0  
1 1 1 7  24 43 o 50.68000       1.666000      921.3623      22.1   
1 1 1 7  24 44 o -0.1469000     1.195000      85.48398      160.9  
1 1 1 7  24 45 o 1.910000       1.346000      164.6165      119.4  
1 1 1 7  24 46 o 1.076000       1.576000      53.06989      165.4  
1 1 1 7  24 47 o 3.429000       1.333000      393.7993      90.0   
1 1 1 7  24 48 f 1.169000       1.214000      213.1566      -141.5 
1 1 1 7  24 49 o 4.816000       1.237000      245.1468      -110.8 
1 1 1 7  24 50 o 2.442000       1.274000      139.4327      76.7   
1 1 1 7  24 51 o 15.86000       1.409000      488.5707      -173.6 
1 1 1 7  24 52 o 10.38000       1.371000      459.0092      69.7   
1 1 1 7  24 53 o 1.745000       1.318000      204.0221      -127.0 
1 1 1 7  24 54 o 2.238000       1.485000      147.0493      -84.6  
1 1 1 7  24 55 o 1.585000       1.497000      ?             ?      
1 1 1 7  24 56 o 0.9592000      1.350000      ?             ?      
1 1 1 7  24 57 o 5.428000       1.363000      ?             ?      
1 1 1 7  24 58 o 3.240000       1.333000      ?             ?      
1 1 1 7  24 59 o 3.364000       1.340000      ?             ?      
1 1 1 7  24 60 o 4.953000       1.331000      ?             ?      
1 1 1 7  24 61 o 1.428000       1.436000      ?             ?      
1 1 1 7  24 62 o 2.178000       1.711000      ?             ?      
1 1 1 7  24 63 o 0.2099000      1.545000      ?             ?      
1 1 1 7  24 64 o 1.458000       1.866000      ?             ?      
1 1 1 7  24 65 o 3.426000       1.693000      ?             ?      
1 1 1 7  24 66 o 1.529000       1.437000      ?             ?      
1 1 1 7  24 67 o 2.625000       1.520000      ?             ?      
1 1 1 7  24 68 o -0.4564000     1.514000      ?             ?      
1 1 1 7  24 69 o 0.1068000      1.516000      ?             ?      
1 1 1 7  24 70 o 1.656000       1.384000      ?             ?      
1 1 1 7  24 71 o 0.5800000      1.394000      ?             ?      
1 1 1 7  25 0  o 5.749000       1.023000      287.7624      90.0   
1 1 1 7  25 1  o 26.18000       1.019000      770.2343      37.3   
1 1 1 7  25 2  o 1.293000       0.7214000     348.7149      -19.8  
1 1 1 7  25 3  f 2.951000       0.6803000     331.7277      144.7  
1 1 1 7  25 4  o 9.306000       0.7759000     350.9089      -26.7  
1 1 1 7  25 5  o 10.31000       0.6977000     512.8033      -177.9 
1 1 1 7  25 6  o 266.4000       5.354000      2287.990      -88.4  
1 1 1 7  25 7  o 29.82000       0.9193000     803.0955      23.7   
1 1 1 7  25 8  o 14.19000       0.7378000     539.5739      18.3   
1 1 1 7  25 9  o 4.165000       0.7600000     136.7760      -64.2  
1 1 1 7  25 10 o 1.344000       0.7881000     77.08854      -40.7  
1 1 1 7  25 11 o 24.11000       1.182000      914.3454      109.1  
1 1 1 7  25 12 o 95.61000       2.669000      1385.627      153.7  
1 1 1 7  25 13 o 26.71000       1.298000      775.1456      -54.0  
1 1 1 7  25 14 o 36.42000       1.240000      649.7100      -168.9 
1 1 1 7  25 15 o 59.05000       1.956000      1330.398      51.3   
1 1 1 7  25 16 o 95.42000       2.794000      1359.380      -96.1  
1 1 1 7  25 17 o 29.83000       1.234000      657.6924      125.7  
1 1 1 7  25 18 o 21.92000       1.065000      416.1749      14.1   
1 1 1 7  25 19 o 13.79000       0.9616000     480.9669      128.3  
1 1 1 7  25 20 o 28.67000       1.329000      848.2132      160.5  
1 1 1 7  25 21 o 38.43000       1.495000      850.6887      162.7  
1 1 1 7  25 22 o 10.00000       1.023000      499.7549      158.7  
1 1 1 7  25 23 o 3.114000       0.9033000     446.0984      136.1  
1 1 1 7  25 24 o 29.53000       1.227000      712.7236      140.3  
1 1 1 7  25 25 o 14.22000       1.005000      571.6461      93.1   
1 1 1 7  25 26 o 0.1223000      0.9931000     257.7805      115.3  
1 1 1 7  25 27 f 16.44000       1.060000      363.2383      6.4    
1 1 1 7  25 28 o 12.41000       1.025000      552.1375      38.7   
1 1 1 7  25 29 o 11.82000       1.105000      440.7930      130.2  
1 1 1 7  25 30 o 5.919000       0.9519000     439.1859      176.9  
1 1 1 7  25 31 o 19.43000       0.9869000     562.7953      179.9  
1 1 1 7  25 32 o 5.478000       0.8634000     429.5273      177.3  
1 1 1 7  25 33 o 21.35000       1.021000      594.8236      151.2  
1 1 1 7  25 34 o 9.167000       0.9137000     302.9600      -76.2  
1 1 1 7  25 35 o 9.219000       0.9248000     325.9156      11.6   
1 1 1 7  25 36 o 7.192000       0.9185000     196.1461      -146.9 
1 1 1 7  25 37 o 0.7234000      0.9036000     44.13784      108.3  
1 1 1 7  25 38 o 26.27000       1.260000      667.2991      81.1   
1 1 1 7  25 39 o 26.85000       1.394000      649.6582      -106.7 
1 1 1 7  25 40 o 1.908000       1.009000      246.1596      -173.5 
1 1 1 7  25 41 o 37.92000       1.385000      769.3275      102.9  
1 1 1 7  25 42 o 3.420000       1.041000      188.0334      139.7  
1 1 1 7  25 43 o 5.189000       1.079000      372.2222      36.9   
1 1 1 7  25 44 o 4.733000       1.099000      278.9142      -50.6  
1 1 1 7  25 45 o 9.982000       1.297000      418.1324      85.2   
1 1 1 7  25 46 o 1.665000       1.599000      150.8416      -116.0 
1 1 1 7  25 47 o 7.773000       1.509000      385.5807      -1.8   
1 1 1 7  25 48 o 14.58000       1.455000      434.7586      -13.2  
1 1 1 7  25 49 o 0.7033000      1.253000      217.6223      -90.7  
1 1 1 7  25 50 o 7.955000       1.326000      315.5684      -103.3 
1 1 1 7  25 51 o 0.3499000      1.298000      206.3383      -53.1  
1 1 1 7  25 52 o 17.98000       1.422000      571.2601      -48.3  
1 1 1 7  25 53 o 2.232000       1.480000      292.5684      103.0  
1 1 1 7  25 54 o 8.240000       1.739000      396.8680      -79.3  
1 1 1 7  25 55 o 1.148000       1.494000      ?             ?      
1 1 1 7  25 56 o -0.1729000     1.318000      ?             ?      
1 1 1 7  25 57 o 5.510000       1.355000      ?             ?      
1 1 1 7  25 58 o 13.54000       1.434000      ?             ?      
1 1 1 7  25 59 o 7.111000       1.347000      ?             ?      
1 1 1 7  25 60 o 3.898000       1.326000      ?             ?      
1 1 1 7  25 61 o 10.50000       1.830000      ?             ?      
1 1 1 7  25 62 o 1.869000       1.790000      ?             ?      
1 1 1 7  25 63 o 1.498000       1.772000      ?             ?      
1 1 1 7  25 64 o 1.026000       1.696000      ?             ?      
1 1 1 7  25 65 o 3.914000       1.337000      ?             ?      
1 1 1 7  25 66 o 1.448000       1.311000      ?             ?      
1 1 1 7  25 67 o 0.6635000      1.510000      ?             ?      
1 1 1 7  25 68 o 4.442000       1.546000      ?             ?      
1 1 1 7  25 69 o -0.1679000     1.428000      ?             ?      
1 1 1 7  25 70 o 2.766000       1.930000      ?             ?      
1 1 1 7  25 71 o 4.691000       2.354000      ?             ?      
1 1 1 7  26 0  o 19.15000       1.358000      733.5764      -90.0  
1 1 1 7  26 1  o 15.68000       0.9487000     538.8246      43.9   
1 1 1 7  26 2  o 20.82000       1.075000      605.9177      -165.0 
1 1 1 7  26 3  o 39.16000       1.260000      814.1536      -19.9  
1 1 1 7  26 4  o 47.38000       1.322000      1120.958      -119.2 
1 1 1 7  26 5  o 67.95000       1.542000      1562.680      -14.7  
1 1 1 7  26 6  o 43.01000       1.251000      1046.357      -131.4 
1 1 1 7  26 7  o 42.96000       1.368000      719.9158      -51.3  
1 1 1 7  26 8  o 65.77000       1.566000      1156.803      174.4  
1 1 1 7  26 9  o 1.806000       0.8418000     248.3224      105.0  
1 1 1 7  26 10 o 114.0000       2.578000      1711.489      -122.2 
1 1 1 7  26 11 o 106.0000       3.689000      1425.216      89.2   
1 1 1 7  26 12 o 51.03000       1.667000      1130.298      -11.0  
1 1 1 7  26 13 o 62.07000       1.967000      1044.880      161.1  
1 1 1 7  26 14 o 11.62000       0.9730000     326.1603      84.1   
1 1 1 7  26 15 f 71.10000       2.042000      789.4827      -30.4  
1 1 1 7  26 16 o 15.99000       1.093000      623.7480      -60.5  
1 1 1 7  26 17 o 1.104000       0.9812000     322.2373      61.8   
1 1 1 7  26 18 o 6.303000       1.039000      485.3988      -31.5  
1 1 1 7  26 19 o 1.633000       0.8349000     94.45843      -130.7 
1 1 1 7  26 20 o 46.71000       2.010000      1037.127      -128.7 
1 1 1 7  26 21 o 0.6973000      1.150000      198.1094      5.7    
1 1 1 7  26 22 o 5.675000       0.8678000     391.4204      60.2   
1 1 1 7  26 23 o 39.78000       1.650000      791.8540      140.1  
1 1 1 7  26 24 o 15.78000       0.9432000     612.2506      4.9    
1 1 1 7  26 25 o 3.738000       0.9128000     164.2625      -46.2  
1 1 1 7  26 26 o 17.20000       1.177000      601.5663      128.8  
1 1 1 7  26 27 o 4.981000       0.9276000     446.5637      113.7  
1 1 1 7  26 28 o 22.85000       1.124000      631.8710      105.9  
1 1 1 7  26 29 o 16.36000       1.184000      704.0009      168.9  
1 1 1 7  26 30 o 34.26000       1.427000      911.8095      -105.9 
1 1 1 7  26 31 o 61.66000       1.786000      1221.990      -33.6  
1 1 1 7  26 32 o 17.25000       0.9649000     449.1782      65.0   
1 1 1 7  26 33 o 10.46000       0.8858000     380.6216      137.5  
1 1 1 7  26 34 o 13.70000       0.9433000     434.1405      -5.1   
1 1 1 7  26 35 o 7.973000       0.9097000     262.3618      6.9    
1 1 1 7  26 36 o 38.40000       1.302000      916.8534      144.6  
1 1 1 7  26 37 o 7.328000       0.9643000     417.6836      -46.3  
1 1 1 7  26 38 o 6.917000       1.129000      503.8277      -68.1  
1 1 1 7  26 39 o 3.225000       1.031000      255.9937      -144.2 
1 1 1 7  26 40 o 7.064000       0.9734000     313.6678      160.5  
1 1 1 7  26 41 o 9.200000       1.024000      536.8005      -93.7  
1 1 1 7  26 42 o 7.269000       1.042000      311.5870      -12.6  
1 1 1 7  26 43 o 7.917000       1.084000      324.2486      126.4  
1 1 1 7  26 44 o 0.5913000      1.087000      195.4412      -146.3 
1 1 1 7  26 45 o 4.112000       1.260000      282.8289      9.8    
1 1 1 7  26 46 o 31.15000       1.712000      847.2015      53.1   
1 1 1 7  26 47 f 17.68000       1.800000      466.1931      34.8   
1 1 1 7  26 48 o 4.365000       1.660000      452.2138      175.4  
1 1 1 7  26 49 o 5.905000       1.315000      398.7364      134.9  
1 1 1 7  26 50 o 6.705000       1.309000      387.2879      122.4  
1 1 1 7  26 51 o 5.086000       1.315000      307.4842      179.4  
1 1 1 7  26 52 o 10.16000       1.370000      587.3014      11.8   
1 1 1 7  26 53 o 13.50000       1.554000      415.7474      -41.0  
1 1 1 7  26 54 o 6.225000       1.488000      ?             ?      
1 1 1 7  26 55 o 3.263000       1.321000      ?             ?      
1 1 1 7  26 56 o 2.108000       1.314000      ?             ?      
1 1 1 7  26 58 o 1.528000       1.324000      ?             ?      
1 1 1 7  26 59 o 0.4923000      1.409000      ?             ?      
1 1 1 7  26 60 o 3.128000       1.738000      ?             ?      
1 1 1 7  26 61 o -0.8587000     1.712000      ?             ?      
1 1 1 7  26 62 o 8.406000       1.500000      ?             ?      
1 1 1 7  26 63 o 2.139000       1.674000      ?             ?      
1 1 1 7  26 64 o 0.3969000      1.534000      ?             ?      
1 1 1 7  26 65 o 1.531000       1.309000      ?             ?      
1 1 1 7  26 66 o 1.445000       1.394000      ?             ?      
1 1 1 7  26 67 o 5.321000       1.541000      ?             ?      
1 1 1 7  26 68 o 1.830000       1.527000      ?             ?      
1 1 1 7  26 69 o -1.014000      1.343000      ?             ?      
1 1 1 7  26 70 o -0.2155000     1.358000      ?             ?      
1 1 1 7  27 0  f 122.6000       5.251000      757.6816      -90.0  
1 1 1 7  27 1  o 55.38000       1.843000      1064.027      89.2   
1 1 1 7  27 2  o 7.909000       0.8473000     722.7416      148.8  
1 1 1 7  27 3  o 4.628000       0.8335000     304.4299      23.9   
1 1 1 7  27 4  o 21.13000       0.9408000     545.7457      -30.6  
1 1 1 7  27 5  o 61.81000       1.515000      1204.906      -53.7  
1 1 1 7  27 6  o 78.94000       1.813000      1454.707      19.7   
1 1 1 7  27 7  o 2.747000       0.7669000     240.3508      64.2   
1 1 1 7  27 8  o 3.733000       0.7331000     247.6599      143.0  
1 1 1 7  27 9  o 7.411000       0.9211000     625.3464      -144.5 
1 1 1 7  27 10 o 91.30000       2.415000      1460.643      -163.6 
1 1 1 7  27 11 o 148.8000       3.268000      1627.371      66.9   
1 1 1 7  27 12 o 4.034000       1.027000      253.4571      40.9   
1 1 1 7  27 13 o 261.3000       6.240000      2409.924      9.5    
1 1 1 7  27 14 o 47.23000       1.644000      904.1560      171.7  
1 1 1 7  27 15 o 14.92000       1.022000      674.8934      15.4   
1 1 1 7  27 16 o 15.11000       1.237000      735.8488      -156.6 
1 1 1 7  27 17 o 172.9000       4.152000      1985.184      94.9   
1 1 1 7  27 18 o 54.29000       1.577000      1126.141      -74.1  
1 1 1 7  27 19 o 30.26000       1.469000      783.6108      -81.8  
1 1 1 7  27 20 o 81.97000       2.235000      1261.695      -173.4 
1 1 1 7  27 21 o 67.13000       2.065000      853.6967      -121.3 
1 1 1 7  27 22 o 99.64000       2.468000      1463.819      155.4  
1 1 1 7  27 23 o 74.15000       1.842000      1275.698      34.1   
1 1 1 7  27 24 o 25.46000       1.108000      597.4062      -91.8  
1 1 1 7  27 25 o 11.47000       0.9507000     475.6248      -72.9  
1 1 1 7  27 26 o 17.83000       1.073000      611.8386      -46.5  
1 1 1 7  27 27 o 1.570000       0.9375000     296.0262      -67.6  
1 1 1 7  27 28 o 76.76000       2.293000      945.5965      -137.8 
1 1 1 7  27 29 o 22.12000       1.072000      532.9359      161.9  
1 1 1 7  27 30 o 5.892000       0.9653000     436.5783      90.7   
1 1 1 7  27 31 o 3.330000       1.065000      221.6915      110.6  
1 1 1 7  27 32 o 12.23000       0.9024000     616.8149      140.6  
1 1 1 7  27 33 o 8.858000       0.8837000     364.7249      -137.3 
1 1 1 7  27 34 o 20.80000       1.020000      719.2800      -98.7  
1 1 1 7  27 35 o 13.76000       0.9680000     644.1108      -152.9 
1 1 1 7  27 36 o 30.07000       1.175000      661.9930      142.9  
1 1 1 7  27 37 o 2.998000       0.9655000     329.7861      5.4    
1 1 1 7  27 38 o 14.50000       1.176000      417.4702      3.9    
1 1 1 7  27 39 o 4.074000       0.9917000     364.9691      -130.3 
1 1 1 7  27 40 o 26.32000       1.188000      888.5934      42.1   
1 1 1 7  27 41 o 24.47000       1.197000      749.2430      95.7   
1 1 1 7  27 42 o 1.943000       1.012000      53.90777      82.9   
1 1 1 7  27 43 o 12.48000       1.128000      495.6270      -33.9  
1 1 1 7  27 44 o 5.011000       1.122000      343.9371      -152.7 
1 1 1 7  27 45 o 32.68000       1.443000      888.6047      95.3   
1 1 1 7  27 46 f 23.33000       1.504000      770.1873      -96.6  
1 1 1 7  27 47 f 3.243000       1.356000      263.7811      132.0  
1 1 1 7  27 48 o 7.196000       1.569000      311.2385      -129.3 
1 1 1 7  27 49 o 17.95000       1.557000      613.0590      -66.0  
1 1 1 7  27 50 o 4.896000       1.295000      260.4007      -159.1 
1 1 1 7  27 51 o 14.56000       1.389000      572.2512      -165.3 
1 1 1 7  27 52 o 7.986000       1.495000      453.4217      -68.8  
1 1 1 7  27 53 o 2.251000       1.670000      244.9879      170.3  
1 1 1 7  27 54 o 12.17000       1.530000      ?             ?      
1 1 1 7  27 55 o 2.239000       1.285000      ?             ?      
1 1 1 7  27 56 o 4.184000       1.326000      ?             ?      
1 1 1 7  27 57 o 4.913000       1.476000      ?             ?      
1 1 1 7  27 58 o 1.470000       1.663000      ?             ?      
1 1 1 7  27 59 o -0.5018000     1.681000      ?             ?      
1 1 1 7  27 60 o 2.371000       1.437000      ?             ?      
1 1 1 7  27 62 o 2.555000       1.409000      ?             ?      
1 1 1 7  27 63 o 1.546000       1.751000      ?             ?      
1 1 1 7  27 64 o -0.4332000     1.755000      ?             ?      
1 1 1 7  27 65 o -0.3563000     1.423000      ?             ?      
1 1 1 7  27 66 o 2.089000       1.484000      ?             ?      
1 1 1 7  27 67 o 1.357000       1.518000      ?             ?      
1 1 1 7  27 68 o 1.070000       1.431000      ?             ?      
1 1 1 7  27 69 o 1.742000       1.352000      ?             ?      
1 1 1 7  27 70 o 3.330000       1.377000      ?             ?      
1 1 1 7  28 0  f 14.04000       1.891000      405.5901      -90.0  
1 1 1 7  28 1  o 41.92000       1.950000      901.4823      147.9  
1 1 1 7  28 2  o 19.73000       1.077000      579.5806      -151.1 
1 1 1 7  28 3  o 16.16000       1.030000      897.6652      -85.6  
1 1 1 7  28 4  o 11.90000       0.8465000     717.5800      101.1  
1 1 1 7  28 5  o 99.21000       2.292000      1292.712      -105.5 
1 1 1 7  28 6  o 9.527000       1.140000      460.2375      -152.8 
1 1 1 7  28 7  o 111.3000       2.505000      1254.418      42.9   
1 1 1 7  28 8  o 47.25000       1.249000      845.3833      -174.8 
1 1 1 7  28 9  o 31.70000       1.060000      763.0035      -179.2 
1 1 1 7  28 10 o 8.203000       0.9765000     418.3143      -105.4 
1 1 1 7  28 11 o 60.47000       1.733000      1166.222      -2.7   
1 1 1 7  28 12 o 43.20000       1.536000      1041.308      67.8   
1 1 1 7  28 13 o 7.438000       1.067000      236.0251      -139.8 
1 1 1 7  28 14 o 23.50000       1.276000      498.6158      75.6   
1 1 1 7  28 15 o 11.80000       1.100000      118.6335      115.0  
1 1 1 7  28 16 o 117.4000       2.663000      1423.665      -163.4 
1 1 1 7  28 17 o 204.4000       4.266000      1808.807      11.9   
1 1 1 7  28 18 o 33.58000       1.503000      974.6429      19.8   
1 1 1 7  28 19 o 8.878000       1.249000      543.5978      -148.1 
1 1 1 7  28 20 o 131.4000       3.488000      1718.615      -71.4  
1 1 1 7  28 21 o 8.950000       0.9444000     310.6647      -12.4  
1 1 1 7  28 22 o 36.83000       1.157000      994.3617      49.2   
1 1 1 7  28 23 o 51.55000       1.475000      965.6873      59.1   
1 1 1 7  28 24 o 0.5628000      0.7676000     296.2620      85.8   
1 1 1 7  28 25 o 15.13000       0.9344000     682.4068      -52.9  
1 1 1 7  28 26 o 0.4805000      0.8037000     164.8322      160.0  
1 1 1 7  28 27 o 8.959000       0.9944000     501.7423      -30.5  
1 1 1 7  28 28 o 103.1000       3.751000      1633.348      -149.5 
1 1 1 7  28 29 o 46.73000       1.676000      1014.419      172.7  
1 1 1 7  28 30 o 24.70000       1.184000      868.2336      -53.1  
1 1 1 7  28 31 o 18.63000       1.305000      615.5125      -4.0   
1 1 1 7  28 32 o 16.83000       1.109000      552.5637      -73.9  
1 1 1 7  28 33 o 45.44000       1.376000      1206.317      -24.0  
1 1 1 7  28 34 o 52.82000       1.501000      1069.272      -17.5  
1 1 1 7  28 35 o 29.05000       1.157000      609.5012      123.7  
1 1 1 7  28 36 f 9.480000       0.9675000     296.2532      31.3   
1 1 1 7  28 37 o 6.467000       1.056000      227.3278      61.6   
1 1 1 7  28 38 o 5.179000       1.023000      404.1270      -139.5 
1 1 1 7  28 39 o 19.69000       1.079000      572.7685      -161.1 
1 1 1 7  28 40 o 23.30000       1.165000      820.8942      -128.0 
1 1 1 7  28 41 o 28.45000       1.264000      743.5506      -70.5  
1 1 1 7  28 42 o 21.39000       1.270000      620.2316      114.5  
1 1 1 7  28 43 o 3.007000       1.073000      179.5144      -103.6 
1 1 1 7  28 44 o 13.65000       1.187000      450.8329      -4.0   
1 1 1 7  28 45 o 16.33000       1.236000      565.2371      31.0   
1 1 1 7  28 46 o 3.259000       1.294000      129.8103      -105.8 
1 1 1 7  28 47 o 16.58000       1.568000      495.1078      -129.9 
1 1 1 7  28 48 o 16.74000       1.840000      685.6551      129.0  
1 1 1 7  28 49 o 17.49000       1.684000      541.3874      -17.9  
1 1 1 7  28 50 o 4.884000       1.433000      311.2924      9.3    
1 1 1 7  28 51 o 2.432000       1.293000      183.4995      -82.8  
1 1 1 7  28 52 o 8.356000       1.494000      461.1154      -24.7  
1 1 1 7  28 53 o 1.573000       1.440000      ?             ?      
1 1 1 7  28 54 o -0.2988000     1.435000      ?             ?      
1 1 1 7  28 55 o 10.43000       1.480000      ?             ?      
1 1 1 7  28 56 o 7.074000       1.734000      ?             ?      
1 1 1 7  28 57 o 4.233000       1.681000      ?             ?      
1 1 1 7  28 58 o 2.524000       1.394000      ?             ?      
1 1 1 7  28 59 o 4.342000       1.291000      ?             ?      
1 1 1 7  28 60 o 1.155000       1.277000      ?             ?      
1 1 1 7  28 61 o 0.9768000      1.277000      ?             ?      
1 1 1 7  28 62 f 4.386000       1.295000      ?             ?      
1 1 1 7  28 63 o 9.116000       1.493000      ?             ?      
1 1 1 7  28 64 o 0.2607000      1.652000      ?             ?      
1 1 1 7  28 65 o -1.628000      1.706000      ?             ?      
1 1 1 7  28 66 o -0.6694000     1.506000      ?             ?      
1 1 1 7  28 67 o 4.229000       1.522000      ?             ?      
1 1 1 7  28 68 o 2.407000       1.352000      ?             ?      
1 1 1 7  28 69 o 1.886000       1.341000      ?             ?      
1 1 1 7  29 0  o 1.655000       1.568000      93.09460      -90.0  
1 1 1 7  29 1  o 47.87000       2.288000      987.9788      27.9   
1 1 1 7  29 2  o 79.01000       2.591000      1122.672      -57.6  
1 1 1 7  29 3  o 65.99000       1.758000      1006.998      -158.9 
1 1 1 7  29 4  o 16.22000       1.090000      611.7180      164.9  
1 1 1 7  29 5  o 19.19000       0.9672000     609.8829      171.8  
1 1 1 7  29 6  o 46.77000       1.451000      1050.021      -40.0  
1 1 1 7  29 7  o 9.523000       1.034000      624.6312      -156.5 
1 1 1 7  29 8  o 155.0000       3.099000      1772.089      140.3  
1 1 1 7  29 9  o 23.51000       1.089000      765.8945      172.1  
1 1 1 7  29 10 o 14.52000       1.149000      687.8412      62.3   
1 1 1 7  29 11 o 153.1000       3.792000      1454.785      99.0   
1 1 1 7  29 12 o 139.7000       3.512000      1727.592      62.1   
1 1 1 7  29 13 o 268.4000       6.432000      2224.456      -110.2 
1 1 1 7  29 14 f 7.937000       1.081000      483.3668      -80.0  
1 1 1 7  29 15 o 64.75000       1.916000      1132.392      -11.5  
1 1 1 7  29 16 o 80.13000       2.233000      1337.153      114.8  
1 1 1 7  29 17 o 118.1000       2.666000      1616.854      38.0   
1 1 1 7  29 18 o 27.71000       1.038000      815.3870      2.0    
1 1 1 7  29 19 o 5.232000       1.150000      583.2520      -76.5  
1 1 1 7  29 20 o 11.04000       1.327000      746.7899      117.3  
1 1 1 7  29 21 o 22.34000       1.399000      518.9072      94.3   
1 1 1 7  29 22 o 52.40000       1.462000      1286.826      -79.2  
1 1 1 7  29 23 o 11.44000       0.7989000     472.8937      -52.6  
1 1 1 7  29 24 o 5.187000       0.7286000     523.1618      -84.8  
1 1 1 7  29 25 o 7.384000       0.7572000     496.1831      -60.1  
1 1 1 7  29 26 o 43.24000       1.473000      988.3700      -48.6  
1 1 1 7  29 27 o 165.6000       4.556000      2074.206      -99.7  
1 1 1 7  29 28 o 7.965000       1.006000      484.3088      -159.9 
1 1 1 7  29 29 o 17.12000       1.205000      503.3651      -18.6  
1 1 1 7  29 30 o 48.28000       1.497000      1036.086      129.2  
1 1 1 7  29 31 o 7.582000       1.050000      373.5401      116.6  
1 1 1 7  29 32 o 7.581000       1.221000      202.3674      -10.4  
1 1 1 7  29 33 o 2.935000       0.9904000     267.7194      -25.2  
1 1 1 7  29 34 o 20.90000       1.058000      601.9934      -178.1 
1 1 1 7  29 35 o 23.43000       1.115000      719.2054      88.0   
1 1 1 7  29 36 o 0.7143000      0.9441000     150.4922      -59.5  
1 1 1 7  29 37 o 8.787000       1.073000      371.7359      -9.5   
1 1 1 7  29 38 o 38.64000       1.415000      832.9336      -30.6  
1 1 1 7  29 39 o 63.15000       1.754000      1172.520      -58.3  
1 1 1 7  29 40 o 19.01000       1.124000      692.9094      50.1   
1 1 1 7  29 41 o 9.904000       1.090000      345.5318      103.4  
1 1 1 7  29 42 o 6.779000       1.080000      342.5855      125.1  
1 1 1 7  29 43 o 5.185000       1.095000      422.5450      -50.9  
1 1 1 7  29 44 o 9.156000       1.151000      436.1637      -167.5 
1 1 1 7  29 45 o 9.990000       1.188000      467.1211      15.3   
1 1 1 7  29 46 o 44.86000       1.643000      852.5611      -111.7 
1 1 1 7  29 47 o 10.34000       1.400000      484.2107      95.0   
1 1 1 7  29 48 o -0.3412000E-03 1.365000      175.1740      176.0  
1 1 1 7  29 49 o 3.483000       1.409000      175.7275      134.8  
1 1 1 7  29 50 o 1.751000       1.423000      318.0300      110.6  
1 1 1 7  29 51 o 14.11000       1.724000      577.2767      -17.4  
1 1 1 7  29 52 o 1.533000       2.052000      ?             ?      
1 1 1 7  29 53 o 7.441000       1.692000      ?             ?      
1 1 1 7  29 54 o -0.2127000     1.652000      ?             ?      
1 1 1 7  29 55 o 10.66000       1.754000      ?             ?      
1 1 1 7  29 56 o -2.163000      1.361000      ?             ?      
1 1 1 7  29 57 o 11.33000       1.334000      ?             ?      
1 1 1 7  29 58 o 4.389000       1.254000      ?             ?      
1 1 1 7  29 59 o 3.233000       1.250000      ?             ?      
1 1 1 7  29 60 o 6.416000       1.278000      ?             ?      
1 1 1 7  29 61 o 2.594000       1.262000      ?             ?      
1 1 1 7  29 62 o 13.75000       1.383000      ?             ?      
1 1 1 7  29 63 o -0.7214000     1.412000      ?             ?      
1 1 1 7  29 64 o 2.925000       1.528000      ?             ?      
1 1 1 7  29 65 o -2.319000      2.271000      ?             ?      
1 1 1 7  29 66 o 2.661000       1.752000      ?             ?      
1 1 1 7  29 68 o 3.500000       1.347000      ?             ?      
1 1 1 7  29 69 o 2.750000       1.367000      ?             ?      
1 1 1 7  30 0  o 67.34000       3.499000      1222.655      -90.0  
1 1 1 7  30 1  o 4.313000       1.140000      186.4519      126.6  
1 1 1 7  30 2  o 12.51000       1.082000      91.98935      -153.1 
1 1 1 7  30 3  o 195.8000       4.671000      1698.778      -170.8 
1 1 1 7  30 4  o 44.78000       1.599000      1137.251      169.5  
1 1 1 7  30 5  o 28.21000       1.023000      696.6157      -53.1  
1 1 1 7  30 6  o 123.9000       2.653000      1316.032      20.0   
1 1 1 7  30 7  o 59.81000       1.464000      1126.321      -29.8  
1 1 1 7  30 8  o 12.44000       0.8347000     706.0934      125.1  
1 1 1 7  30 9  o 3.036000       0.9465000     555.7796      -113.0 
1 1 1 7  30 10 o 129.5000       3.298000      1420.010      -100.0 
1 1 1 7  30 11 o 67.25000       1.752000      833.4045      24.8   
1 1 1 7  30 12 o 99.66000       2.583000      1509.949      85.4   
1 1 1 7  30 13 o 14.77000       1.146000      540.9950      171.4  
1 1 1 7  30 14 o 306.6000       6.981000      2396.814      -22.4  
1 1 1 7  30 15 o 8.058000       1.076000      538.2144      132.2  
1 1 1 7  30 16 o 1.042000       1.025000      362.7615      12.1   
1 1 1 7  30 17 o 109.6000       2.832000      1456.287      93.8   
1 1 1 7  30 18 o 59.36000       1.941000      1028.995      109.4  
1 1 1 7  30 19 o 11.12000       1.024000      293.3109      134.9  
1 1 1 7  30 20 o 39.91000       1.595000      1005.820      -33.4  
1 1 1 7  30 21 o 22.87000       1.129000      816.9437      57.2   
1 1 1 7  30 22 o 21.84000       1.289000      767.3832      -47.6  
1 1 1 7  30 23 o 11.88000       0.8167000     750.0557      11.2   
1 1 1 7  30 24 o 34.79000       1.176000      959.3708      -24.1  
1 1 1 7  30 25 o 10.29000       0.7709000     554.9944      17.6   
1 1 1 7  30 26 o 14.82000       0.8183000     720.1716      67.0   
1 1 1 7  30 27 o 16.96000       0.9739000     545.7779      -106.2 
1 1 1 7  30 28 o 22.92000       1.038000      474.5233      -80.6  
1 1 1 7  30 29 o 22.04000       1.129000      632.5951      -139.2 
1 1 1 7  30 30 o 107.6000       3.017000      1517.889      -76.3  
1 1 1 7  30 31 o 4.226000       0.8657000     308.4118      -124.7 
1 1 1 7  30 32 o 20.00000       1.125000      849.8282      -4.4   
1 1 1 7  30 33 o 77.22000       2.551000      1230.124      -3.5   
1 1 1 7  30 34 o 11.73000       1.380000      386.8123      110.7  
1 1 1 7  30 35 o 3.042000       0.8969000     235.8500      -99.4  
1 1 1 7  30 36 o 13.19000       1.112000      525.0051      -63.3  
1 1 1 7  30 37 o 3.827000       1.030000      269.4796      -142.4 
1 1 1 7  30 38 o 1.614000       0.9566000     136.6341      27.7   
1 1 1 7  30 39 o 30.18000       1.255000      704.3105      -177.8 
1 1 1 7  30 40 o 2.242000       0.9825000     266.6281      82.5   
1 1 1 7  30 41 o 23.13000       1.217000      763.0479      -127.2 
1 1 1 7  30 42 o 72.15000       1.995000      ?             ?      
1 1 1 7  30 43 o 51.69000       1.675000      1030.123      -91.4  
1 1 1 7  30 44 o 27.07000       1.343000      641.7371      85.3   
1 1 1 7  30 45 f 40.23000       1.557000      878.5645      31.4   
1 1 1 7  30 46 o 17.79000       1.303000      555.3674      -144.1 
1 1 1 7  30 47 o 27.15000       1.557000      816.0620      -91.3  
1 1 1 7  30 48 o 12.20000       1.538000      584.5558      145.8  
1 1 1 7  30 49 o 0.6786000      1.792000      270.7504      -0.0   
1 1 1 7  30 50 o 22.21000       1.754000      701.5080      51.7   
1 1 1 7  30 51 o 4.128000       1.647000      ?             ?      
1 1 1 7  30 52 o 22.40000       2.572000      ?             ?      
1 1 1 7  30 53 o 10.56000       1.760000      ?             ?      
1 1 1 7  30 54 o 7.884000       1.414000      ?             ?      
1 1 1 7  30 55 o 28.25000       1.509000      ?             ?      
1 1 1 7  30 56 o 3.923000       1.253000      ?             ?      
1 1 1 7  30 57 o 1.807000       1.230000      ?             ?      
1 1 1 7  30 58 o 2.064000       1.227000      ?             ?      
1 1 1 7  30 59 o 4.442000       1.247000      ?             ?      
1 1 1 7  30 60 o 8.583000       1.285000      ?             ?      
1 1 1 7  30 61 o 2.676000       1.250000      ?             ?      
1 1 1 7  30 62 o 6.282000       1.309000      ?             ?      
1 1 1 7  30 63 o -0.2870000     1.404000      ?             ?      
1 1 1 7  30 64 o 2.561000       1.565000      ?             ?      
1 1 1 7  30 65 o 3.692000       2.253000      ?             ?      
1 1 1 7  30 66 o 0.9338000      1.886000      ?             ?      
1 1 1 7  30 67 o 0.7389000      1.471000      ?             ?      
1 1 1 7  30 68 o 1.926000       1.352000      ?             ?      
1 1 1 7  31 0  o 371.1000       12.11000      2512.450      -90.0  
1 1 1 7  31 1  o 39.21000       1.660000      744.0998      -43.9  
1 1 1 7  31 2  o 22.67000       1.527000      479.2706      61.0   
1 1 1 7  31 3  o 130.6000       3.024000      1486.641      56.6   
1 1 1 7  31 4  o 222.0000       4.535000      1906.907      -175.6 
1 1 1 7  31 5  o 4.834000       0.8214000     308.4408      -103.0 
1 1 1 7  31 6  o 18.74000       0.9134000     881.9052      25.6   
1 1 1 7  31 7  o 95.36000       2.117000      1245.099      179.9  
1 1 1 7  31 8  o 6.017000       0.7830000     321.7835      84.3   
1 1 1 7  31 9  o 7.164000       0.9386000     498.6814      176.6  
1 1 1 7  31 10 o 116.0000       2.992000      1691.428      81.4   
1 1 1 7  31 11 o 18.51000       1.163000      621.1978      167.0  
1 1 1 7  31 12 o 4.141000       1.024000      270.4823      124.8  
1 1 1 7  31 13 o 11.73000       1.084000      332.9974      -7.7   
1 1 1 7  31 14 o 0.6335000      1.010000      248.5143      73.9   
1 1 1 7  31 15 o 27.39000       1.274000      719.1193      -171.2 
1 1 1 7  31 16 o 15.72000       1.146000      575.6643      93.0   
1 1 1 7  31 17 o 5.834000       1.414000      649.5045      29.4   
1 1 1 7  31 18 o 42.67000       2.097000      1106.776      -45.4  
1 1 1 7  31 19 o 28.72000       1.503000      737.3341      160.5  
1 1 1 7  31 20 o 9.905000       1.197000      451.6654      88.4   
1 1 1 7  31 21 o 60.33000       1.934000      1378.120      -56.9  
1 1 1 7  31 22 o 30.28000       1.360000      917.3439      -131.6 
1 1 1 7  31 23 o 11.17000       0.9337000     537.4509      -156.2 
1 1 1 7  31 24 o 5.509000       0.7124000     362.3200      69.0   
1 1 1 7  31 25 o 5.536000       0.7087000     91.60912      -152.1 
1 1 1 7  31 26 o 16.62000       0.8550000     640.8460      -81.8  
1 1 1 7  31 27 o 162.1000       3.715000      ?             ?      
1 1 1 7  31 28 o 16.54000       0.9403000     455.1008      6.0    
1 1 1 7  31 29 o 3.364000       0.8780000     193.8115      -66.3  
1 1 1 7  31 30 o 32.52000       1.240000      702.6681      -171.6 
1 1 1 7  31 31 o 10.86000       0.9445000     351.6739      -117.6 
1 1 1 7  31 32 o 14.23000       1.038000      476.7778      -146.7 
1 1 1 7  31 33 o 37.35000       1.699000      976.8069      64.8   
1 1 1 7  31 34 o 6.129000       1.083000      387.2824      10.0   
1 1 1 7  31 35 o 39.03000       1.547000      908.7622      -1.2   
1 1 1 7  31 36 o 38.05000       1.533000      852.3011      -84.3  
1 1 1 7  31 37 o 14.28000       1.106000      468.1766      -14.7  
1 1 1 7  31 38 o 7.737000       1.015000      489.8582      -41.8  
1 1 1 7  31 39 o 58.93000       1.726000      1107.964      -63.3  
1 1 1 7  31 40 o 31.48000       1.392000      795.1679      99.0   
1 1 1 7  31 41 o 25.97000       1.330000      667.9055      128.5  
1 1 1 7  31 42 o 2.618000       1.106000      238.2036      -99.9  
1 1 1 7  31 43 o 11.90000       1.299000      405.7034      -159.2 
1 1 1 7  31 44 o 1.001000       1.129000      337.9507      23.2   
1 1 1 7  31 45 o 12.04000       1.229000      441.3059      -47.7  
1 1 1 7  31 46 o 16.47000       1.276000      586.9859      155.4  
1 1 1 7  31 47 o 0.7517000      1.202000      52.58007      146.4  
1 1 1 7  31 48 o 15.37000       1.779000      614.8544      75.9   
1 1 1 7  31 49 o 1.589000       1.476000      199.0320      38.7   
1 1 1 7  31 50 o 23.18000       2.526000      603.3992      89.4   
1 1 1 7  31 51 o 14.21000       3.423000      ?             ?      
1 1 1 7  31 52 o 8.815000       2.433000      ?             ?      
1 1 1 7  31 53 o 8.737000       1.264000      ?             ?      
1 1 1 7  31 54 o 6.508000       1.257000      ?             ?      
1 1 1 7  31 55 o 2.961000       1.227000      ?             ?      
1 1 1 7  31 56 o 3.454000       1.211000      ?             ?      
1 1 1 7  31 57 o 2.528000       1.203000      ?             ?      
1 1 1 7  31 58 o 0.6466000      1.182000      ?             ?      
1 1 1 7  31 59 o 7.841000       1.245000      ?             ?      
1 1 1 7  31 60 o 6.648000       1.245000      ?             ?      
1 1 1 7  31 61 o 3.551000       1.245000      ?             ?      
1 1 1 7  31 63 o 0.4512000      1.265000      ?             ?      
1 1 1 7  31 64 o 3.251000       1.603000      ?             ?      
1 1 1 7  31 65 o -0.3243000     1.802000      ?             ?      
1 1 1 7  31 66 o -0.5745000     1.773000      ?             ?      
1 1 1 7  31 67 o 0.9161000      1.499000      ?             ?      
1 1 1 7  32 0  o 18.94000       1.556000      897.5863      -90.0  
1 1 1 7  32 1  o 72.09000       2.260000      1129.321      70.4   
1 1 1 7  32 2  o 107.6000       3.031000      1583.067      -175.5 
1 1 1 7  32 3  o 46.66000       1.550000      1144.474      -41.4  
1 1 1 7  32 4  o 16.80000       0.9227000     484.1414      76.5   
1 1 1 7  32 5  o 71.81000       1.711000      1235.301      -83.0  
1 1 1 7  32 6  o 3.619000       0.7824000     187.6717      16.6   
1 1 1 7  32 7  o 72.30000       1.709000      1151.884      53.0   
1 1 1 7  32 8  o 98.32000       2.182000      1156.277      138.3  
1 1 1 7  32 9  o 41.50000       1.328000      945.7117      -168.8 
1 1 1 7  32 10 o 2.807000       0.9525000     383.2279      -88.3  
1 1 1 7  32 11 o 5.461000       1.008000      339.5983      -173.6 
1 1 1 7  32 12 o 43.12000       1.574000      754.4090      -85.1  
1 1 1 7  32 13 o 16.92000       1.152000      705.0710      -137.3 
1 1 1 7  32 14 o 0.5965000      0.9736000     149.6730      171.7  
1 1 1 7  32 15 o 14.74000       1.088000      909.2962      77.8   
1 1 1 7  32 16 o -0.4497000     0.9872000     304.2543      -71.5  
1 1 1 7  32 17 o 104.6000       3.695000      1378.117      112.2  
1 1 1 7  32 18 o 26.62000       1.402000      926.6270      -57.3  
1 1 1 7  32 19 o 101.1000       3.812000      1363.197      39.2   
1 1 1 7  32 20 o 89.07000       2.450000      1454.938      -89.1  
1 1 1 7  32 21 o 37.65000       1.528000      942.7742      126.0  
1 1 1 7  32 22 o 28.17000       1.155000      869.2799      -42.0  
1 1 1 7  32 23 o 23.13000       1.075000      612.4526      168.0  
1 1 1 7  32 24 o 10.94000       0.9152000     373.5461      28.0   
1 1 1 7  32 25 o 5.893000       0.7189000     371.5030      159.6  
1 1 1 7  32 26 o 36.03000       1.199000      937.9807      -24.1  
1 1 1 7  32 27 o 12.67000       0.8213000     528.2427      -57.8  
1 1 1 7  32 28 o 31.93000       1.142000      595.2986      -12.7  
1 1 1 7  32 29 o 34.44000       1.205000      799.6543      -88.7  
1 1 1 7  32 30 o 43.48000       1.500000      1211.326      -80.9  
1 1 1 7  32 31 o 61.29000       1.886000      1026.189      35.7   
1 1 1 7  32 32 o 13.21000       0.9110000     617.2664      27.9   
1 1 1 7  32 33 o 64.97000       1.891000      1239.500      8.9    
1 1 1 7  32 34 o 41.90000       2.327000      985.8138      98.5   
1 1 1 7  32 35 o 37.24000       1.802000      882.0411      -42.2  
1 1 1 7  32 36 o -0.8854000E-01 0.9762000     234.0399      -18.4  
1 1 1 7  32 37 o 7.939000       0.9890000     429.4939      26.0   
1 1 1 7  32 38 o 7.801000       0.9787000     348.2887      139.4  
1 1 1 7  32 39 o 54.66000       1.752000      1161.271      -147.9 
1 1 1 7  32 40 o 41.95000       1.726000      977.2059      54.1   
1 1 1 7  32 41 o 60.28000       2.108000      1165.565      -135.7 
1 1 1 7  32 42 o 27.72000       1.368000      694.0151      91.6   
1 1 1 7  32 43 o 19.80000       1.319000      809.0437      -18.2  
1 1 1 7  32 44 o 27.75000       1.418000      742.3250      54.6   
1 1 1 7  32 45 o 9.958000       1.203000      531.9119      26.2   
1 1 1 7  32 46 o 37.32000       1.701000      948.9031      -138.1 
1 1 1 7  32 47 o 11.98000       1.264000      574.6443      151.5  
1 1 1 7  32 48 o 0.6278000      1.749000      142.1949      -138.4 
1 1 1 7  32 49 o 3.919000       1.457000      183.4244      86.3   
1 1 1 7  32 50 o 7.045000       1.688000      ?             ?      
1 1 1 7  32 51 o 0.5596000      1.764000      ?             ?      
1 1 1 7  32 52 o -1.048000      1.320000      ?             ?      
1 1 1 7  32 53 o 17.83000       1.321000      ?             ?      
1 1 1 7  32 54 o 11.46000       1.255000      ?             ?      
1 1 1 7  32 55 o 3.490000       1.302000      ?             ?      
1 1 1 7  32 56 o 17.55000       1.325000      ?             ?      
1 1 1 7  32 57 o 2.521000       1.179000      ?             ?      
1 1 1 7  32 58 o 1.713000       1.169000      ?             ?      
1 1 1 7  32 59 o -0.2994000E-01 1.179000      ?             ?      
1 1 1 7  32 60 o 4.456000       1.217000      ?             ?      
1 1 1 7  32 62 o -1.160000      1.228000      ?             ?      
1 1 1 7  32 63 o 0.9033000      1.301000      ?             ?      
1 1 1 7  32 64 o -0.9515000     1.532000      ?             ?      
1 1 1 7  32 65 o 3.403000       1.635000      ?             ?      
1 1 1 7  32 66 o 1.983000       1.694000      ?             ?      
1 1 1 7  32 67 o 0.1057000      2.292000      ?             ?      
1 1 1 7  33 0  o 174.7000       7.229000      1389.549      90.0   
1 1 1 7  33 1  o 16.74000       1.062000      631.6483      44.0   
1 1 1 7  33 2  o 26.12000       1.126000      927.7742      81.7   
1 1 1 7  33 3  o 30.14000       1.251000      1026.279      -99.8  
1 1 1 7  33 4  o 39.54000       1.267000      774.1218      -131.9 
1 1 1 7  33 5  o 15.10000       0.8659000     518.4024      -32.3  
1 1 1 7  33 6  o 27.81000       1.069000      676.7468      -98.9  
1 1 1 7  33 7  o 91.63000       1.982000      1208.990      -28.4  
1 1 1 7  33 8  o 62.23000       1.653000      1224.790      153.7  
1 1 1 7  33 9  o 59.44000       1.637000      1239.254      116.4  
1 1 1 7  33 10 o 30.78000       1.202000      845.4410      30.0   
1 1 1 7  33 11 o 29.92000       1.304000      558.0714      -171.6 
1 1 1 7  33 12 o -0.7282000E-01 0.8226000     78.17135      71.5   
1 1 1 7  33 13 o 1.838000       0.9794000     225.4247      -126.0 
1 1 1 7  33 14 o 285.7000       6.697000      ?             ?      
1 1 1 7  33 15 o 7.400000       1.054000      556.6108      -68.3  
1 1 1 7  33 16 o 61.19000       2.470000      992.2428      110.1  
1 1 1 7  33 17 o 102.6000       3.919000      1567.134      -22.4  
1 1 1 7  33 18 o 2.152000       1.540000      356.4668      73.6   
1 1 1 7  33 19 o 106.6000       3.822000      1633.174      -23.9  
1 1 1 7  33 20 o 66.30000       2.046000      1270.183      -115.7 
1 1 1 7  33 21 o 4.905000       0.9338000     451.0773      -60.4  
1 1 1 7  33 22 o 158.5000       3.889000      1702.291      -160.4 
1 1 1 7  33 23 o 4.974000       1.062000      179.8834      -12.2  
1 1 1 7  33 24 o 37.69000       1.280000      1005.382      -62.0  
1 1 1 7  33 25 o 12.49000       1.128000      378.1466      105.6  
1 1 1 7  33 26 o 12.83000       0.7605000     555.2209      -149.8 
1 1 1 7  33 27 o 16.99000       1.062000      662.5091      -148.0 
1 1 1 7  33 28 o 1.659000       0.6913000     219.8967      86.5   
1 1 1 7  33 29 o 3.233000       0.7287000     284.7874      39.2   
1 1 1 7  33 30 o 5.522000       0.8781000     297.0536      -164.5 
1 1 1 7  33 31 o 26.88000       1.224000      898.2229      -134.7 
1 1 1 7  33 32 o 55.49000       1.781000      1022.946      114.1  
1 1 1 7  33 33 o 7.296000       0.8804000     547.6844      83.1   
1 1 1 7  33 34 o 14.75000       1.260000      751.2143      134.8  
1 1 1 7  33 35 o 14.65000       1.714000      685.4440      -6.9   
1 1 1 7  33 36 o 15.97000       1.433000      615.1829      -113.6 
1 1 1 7  33 37 o 11.33000       1.002000      474.0485      36.5   
1 1 1 7  33 38 o 21.90000       1.160000      643.6667      -163.6 
1 1 1 7  33 39 o 34.33000       1.434000      900.1552      -87.1  
1 1 1 7  33 40 o 53.86000       1.948000      1019.720      93.1   
1 1 1 7  33 41 o 60.65000       1.953000      1221.599      152.0  
1 1 1 7  33 42 o 20.59000       1.356000      659.7458      44.3   
1 1 1 7  33 43 o 2.209000       1.299000      241.6181      58.6   
1 1 1 7  33 44 o 24.83000       1.995000      790.0105      157.4  
1 1 1 7  33 45 o 20.43000       1.318000      744.8941      -102.0 
1 1 1 7  33 46 o 5.760000       2.102000      410.7102      121.1  
1 1 1 7  33 47 o 11.68000       1.327000      723.8860      32.8   
1 1 1 7  33 48 o 13.44000       1.433000      464.0455      -44.8  
1 1 1 7  33 49 o 5.529000       1.505000      ?             ?      
1 1 1 7  33 50 o 20.78000       2.261000      ?             ?      
1 1 1 7  33 51 o 13.01000       1.817000      ?             ?      
1 1 1 7  33 52 o 1.646000       1.440000      ?             ?      
1 1 1 7  33 53 o 2.442000       1.298000      ?             ?      
1 1 1 7  33 54 o 4.277000       1.162000      ?             ?      
1 1 1 7  33 55 o 17.80000       1.310000      ?             ?      
1 1 1 7  33 56 o 0.8871000      1.163000      ?             ?      
1 1 1 7  33 57 o 0.8872000      1.153000      ?             ?      
1 1 1 7  33 58 o 1.869000       1.159000      ?             ?      
1 1 1 7  33 59 o 7.264000       1.217000      ?             ?      
1 1 1 7  33 60 o 5.142000       1.218000      ?             ?      
1 1 1 7  33 61 o 2.495000       1.207000      ?             ?      
1 1 1 7  33 62 o 3.017000       1.232000      ?             ?      
1 1 1 7  33 63 o 1.634000       1.360000      ?             ?      
1 1 1 7  33 64 f 3.707000       1.427000      ?             ?      
1 1 1 7  33 65 f 4.864000       1.588000      ?             ?      
1 1 1 7  34 0  o 5.905000       1.494000      300.5397      -90.0  
1 1 1 7  34 1  o 13.88000       0.9875000     422.3594      174.2  
1 1 1 7  34 2  o 41.61000       1.329000      996.6937      -14.4  
1 1 1 7  34 3  o 2.281000       0.9451000     282.9876      -67.1  
1 1 1 7  34 4  o 13.76000       0.9058000     474.6073      9.9    
1 1 1 7  34 5  o 5.331000       0.7739000     549.8585      67.3   
1 1 1 7  34 6  o 16.19000       0.8544000     468.3668      113.9  
1 1 1 7  34 7  o 21.42000       0.8980000     927.5064      -108.0 
1 1 1 7  34 8  o 25.01000       1.058000      727.9999      140.2  
1 1 1 7  34 9  o 115.7000       2.700000      1548.947      -160.5 
1 1 1 7  34 10 o 9.328000       0.7883000     427.0560      -129.5 
1 1 1 7  34 11 o 30.25000       1.260000      741.1331      -91.0  
1 1 1 7  34 12 o 15.58000       0.9121000     795.9529      160.0  
1 1 1 7  34 13 o 3.788000       0.9471000     362.2646      136.7  
1 1 1 7  34 14 o 0.9701000      0.9909000     286.2832      -89.8  
1 1 1 7  34 15 o 26.39000       1.250000      1000.883      -1.2   
1 1 1 7  34 16 o 21.19000       1.588000      708.4698      121.5  
1 1 1 7  34 17 o 16.43000       1.277000      680.3965      150.8  
1 1 1 7  34 18 o 65.88000       2.891000      1043.147      40.3   
1 1 1 7  34 19 o 19.94000       1.255000      755.8047      -51.4  
1 1 1 7  34 20 o 38.38000       1.652000      857.0008      -128.9 
1 1 1 7  34 21 o 4.917000       1.027000      291.4395      -99.6  
1 1 1 7  34 22 o -1.046000      0.8894000     57.99364      17.6   
1 1 1 7  34 23 o 9.800000       0.9340000     453.3847      73.4   
1 1 1 7  34 24 o 9.916000       0.9316000     676.5449      60.6   
1 1 1 7  34 25 o 19.24000       1.177000      788.9403      -12.6  
1 1 1 7  34 26 o 3.416000       0.8713000     299.7410      -80.0  
1 1 1 7  34 27 o 9.130000       0.7268000     443.8670      66.0   
1 1 1 7  34 28 o 0.4984000      0.6653000     198.0821      -123.1 
1 1 1 7  34 29 o 14.71000       0.8608000     713.8829      -46.2  
1 1 1 7  34 30 o 5.446000       0.7505000     308.8751      -41.2  
1 1 1 7  34 31 o 0.1306000      0.8583000     95.23395      55.8   
1 1 1 7  34 32 o 10.77000       0.9854000     514.8607      10.4   
1 1 1 7  34 33 o 15.92000       1.093000      585.7560      76.3   
1 1 1 7  34 34 o 2.082000       0.9663000     155.6935      105.4  
1 1 1 7  34 35 o 28.51000       1.388000      772.0718      -74.0  
1 1 1 7  34 36 o 4.367000       1.279000      362.0863      70.4   
1 1 1 7  34 37 o 59.86000       1.909000      1131.463      -42.9  
1 1 1 7  34 38 o 19.87000       1.150000      674.0593      138.2  
1 1 1 7  34 39 o 36.52000       1.387000      1001.435      -80.9  
1 1 1 7  34 40 o 2.584000       1.068000      355.5150      69.5   
1 1 1 7  34 41 o 34.35000       1.564000      828.7199      -161.2 
1 1 1 7  34 42 o 6.476000       1.256000      507.7673      -24.6  
1 1 1 7  34 43 f 1.266000       2.192000      146.9098      97.9   
1 1 1 7  34 44 o 0.3245000      2.194000      279.2031      69.6   
1 1 1 7  34 45 o 4.106000       1.166000      326.6953      -156.3 
1 1 1 7  34 46 o 7.065000       1.622000      312.2204      64.5   
1 1 1 7  34 47 o 7.173000       1.337000      467.1876      14.1   
1 1 1 7  34 48 o 1.549000       1.220000      ?             ?      
1 1 1 7  34 49 o 11.78000       1.363000      ?             ?      
1 1 1 7  34 50 o 12.56000       1.899000      ?             ?      
1 1 1 7  34 51 o -1.769000      1.354000      ?             ?      
1 1 1 7  34 52 o 1.681000       1.295000      ?             ?      
1 1 1 7  34 53 o -0.7628000E-01 1.381000      ?             ?      
1 1 1 7  34 54 o 2.231000       1.263000      ?             ?      
1 1 1 7  34 55 o 1.969000       1.148000      ?             ?      
1 1 1 7  34 56 o 1.502000       1.144000      ?             ?      
1 1 1 7  34 57 o 1.278000       1.147000      ?             ?      
1 1 1 7  34 58 o -0.3460000     1.147000      ?             ?      
1 1 1 7  34 59 o 3.413000       1.183000      ?             ?      
1 1 1 7  34 60 o 3.953000       1.211000      ?             ?      
1 1 1 7  34 61 o 4.183000       1.230000      ?             ?      
1 1 1 7  34 62 o 3.545000       1.288000      ?             ?      
1 1 1 7  34 63 o 3.806000       1.887000      ?             ?      
1 1 1 7  34 64 f 0.2231000      1.379000      ?             ?      
1 1 1 7  34 65 o 4.132000       1.298000      ?             ?      
1 1 1 7  34 66 o 1.226000       1.899000      ?             ?      
1 1 1 7  35 0  o 3.684000       1.227000      198.0370      -90.0  
1 1 1 7  35 1  o 1.682000       0.7982000     147.6370      155.4  
1 1 1 7  35 2  o 25.44000       1.248000      594.3649      141.4  
1 1 1 7  35 3  o 17.15000       1.002000      511.4091      65.6   
1 1 1 7  35 4  o 9.184000       0.9302000     221.5336      -106.8 
1 1 1 7  35 5  o 5.606000       0.8153000     202.6323      -16.4  
1 1 1 7  35 6  o 60.52000       1.508000      1220.970      -13.4  
1 1 1 7  35 7  o 3.517000       0.7156000     292.9086      130.3  
1 1 1 7  35 8  o 10.72000       0.7709000     595.4843      -35.5  
1 1 1 7  35 9  o -1.052000      0.6992000     181.5605      -55.3  
1 1 1 7  35 10 o 5.557000       0.7317000     331.0584      -137.5 
1 1 1 7  35 11 o 9.159000       0.9662000     323.5210      -103.8 
1 1 1 7  35 12 o 8.725000       0.9610000     578.2398      -105.9 
1 1 1 7  35 13 o 6.624000       0.9506000     228.2683      -121.4 
1 1 1 7  35 14 o 7.888000       0.9870000     316.8539      -94.5  
1 1 1 7  35 15 o 39.47000       1.986000      936.7405      76.2   
1 1 1 7  35 16 o 12.93000       1.520000      466.8065      -16.3  
1 1 1 7  35 17 o 37.83000       2.139000      921.5488      -27.1  
1 1 1 7  35 18 o 18.42000       1.677000      623.5452      95.8   
1 1 1 7  35 19 o 86.90000       2.536000      1350.676      -50.7  
1 1 1 7  35 20 o 16.55000       1.209000      660.3745      -79.6  
1 1 1 7  35 21 o 6.812000       1.084000      474.6711      99.2   
1 1 1 7  35 22 o 8.194000       1.094000      337.9352      136.3  
1 1 1 7  35 23 o 17.39000       1.054000      499.8704      34.9   
1 1 1 7  35 24 o 12.95000       0.9994000     679.5873      -174.9 
1 1 1 7  35 25 o 44.94000       1.410000      1076.809      167.2  
1 1 1 7  35 26 o 2.396000       0.8477000     256.0593      163.6  
1 1 1 7  35 27 o 4.068000       0.9015000     338.3569      -83.2  
1 1 1 7  35 28 o 5.380000       0.6941000     431.4512      -154.0 
1 1 1 7  35 29 o 3.977000       0.6659000     274.7641      -145.1 
1 1 1 7  35 30 o 0.7994000      0.6720000     206.7183      -179.7 
1 1 1 7  35 31 o 8.363000       0.7995000     339.8773      -163.5 
1 1 1 7  35 32 o 9.748000       1.031000      538.4362      97.2   
1 1 1 7  35 33 o 14.28000       1.348000      561.8148      105.0  
1 1 1 7  35 34 o 6.758000       1.006000      504.2765      103.7  
1 1 1 7  35 35 o 15.08000       1.135000      438.4909      20.3   
1 1 1 7  35 36 o 11.97000       1.125000      474.7531      -173.3 
1 1 1 7  35 37 o 10.52000       1.318000      538.0713      127.6  
1 1 1 7  35 38 o -0.4491000     1.190000      201.5322      -87.8  
1 1 1 7  35 39 o 35.44000       1.590000      892.1081      -102.0 
1 1 1 7  35 40 o 17.88000       1.216000      698.1459      98.9   
1 1 1 7  35 41 o 25.67000       1.770000      700.3497      -108.2 
1 1 1 7  35 42 o 3.342000       1.533000      255.8382      -30.0  
1 1 1 7  35 43 o 31.54000       1.556000      784.0419      -177.9 
1 1 1 7  35 44 o 11.43000       1.341000      563.5506      -160.9 
1 1 1 7  35 45 o 2.899000       1.320000      300.5624      -9.7   
1 1 1 7  35 46 o 9.444000       1.262000      468.0896      84.5   
1 1 1 7  35 47 o 3.143000       1.224000      ?             ?      
1 1 1 7  35 48 o 10.42000       1.311000      ?             ?      
1 1 1 7  35 49 o 1.294000       1.380000      ?             ?      
1 1 1 7  35 51 o 8.891000       1.534000      ?             ?      
1 1 1 7  35 52 o 1.867000       1.255000      ?             ?      
1 1 1 7  35 53 o -2.306000      1.414000      ?             ?      
1 1 1 7  35 54 o 5.513000       1.360000      ?             ?      
1 1 1 7  35 55 o 6.941000       1.180000      ?             ?      
1 1 1 7  35 56 o 1.046000       1.142000      ?             ?      
1 1 1 7  35 57 o 3.511000       1.153000      ?             ?      
1 1 1 7  35 58 o 3.743000       1.166000      ?             ?      
1 1 1 7  35 59 o 1.466000       1.161000      ?             ?      
1 1 1 7  35 60 o 2.528000       1.194000      ?             ?      
1 1 1 7  35 61 o -0.9896000E-01 1.192000      ?             ?      
1 1 1 7  35 62 o 5.563000       1.369000      ?             ?      
1 1 1 7  35 63 o 2.204000       1.394000      ?             ?      
1 1 1 7  35 64 o 5.022000       1.335000      ?             ?      
1 1 1 7  35 65 o 2.646000       1.763000      ?             ?      
1 1 1 7  36 0  o 7.762000       1.271000      514.9252      90.0   
1 1 1 7  36 1  o 12.23000       0.9276000     560.7170      -129.0 
1 1 1 7  36 2  o -0.9408000     0.7813000     70.14376      -90.6  
1 1 1 7  36 3  o 33.99000       1.221000      945.4066      -64.0  
1 1 1 7  36 4  o 12.34000       0.9458000     468.1470      97.5   
1 1 1 7  36 5  o 34.88000       1.165000      754.3505      121.1  
1 1 1 7  36 6  o 6.701000       0.7548000     369.7817      126.6  
1 1 1 7  36 7  o 3.443000       0.7183000     213.2098      -61.0  
1 1 1 7  36 8  o 57.70000       1.567000      1046.448      -99.5  
1 1 1 7  36 9  o 13.21000       0.7966000     486.1675      117.8  
1 1 1 7  36 10 o 14.61000       0.8886000     624.4274      89.2   
1 1 1 7  36 11 o 29.42000       1.077000      906.6495      137.6  
1 1 1 7  36 12 o 19.57000       1.081000      489.7190      151.4  
1 1 1 7  36 13 o 11.26000       0.9742000     405.6834      -123.4 
1 1 1 7  36 14 o 16.03000       1.085000      583.2776      123.0  
1 1 1 7  36 15 o 20.57000       1.595000      743.2905      50.9   
1 1 1 7  36 16 o 5.031000       1.111000      220.8914      -103.1 
1 1 1 7  36 17 o 0.1445000      1.435000      52.81696      102.4  
1 1 1 7  36 18 o 8.290000       1.116000      359.2034      86.2   
1 1 1 7  36 19 o 8.350000       1.104000      447.1336      -118.3 
1 1 1 7  36 20 o 9.055000       1.213000      462.5056      120.6  
1 1 1 7  36 21 o 10.67000       1.126000      455.6418      106.6  
1 1 1 7  36 22 o 14.08000       1.157000      538.7760      146.2  
1 1 1 7  36 23 o 19.34000       1.234000      688.4346      -57.9  
1 1 1 7  36 24 o 14.87000       1.009000      649.9465      -106.4 
1 1 1 7  36 25 o 5.221000       0.8772000     302.5009      -71.2  
1 1 1 7  36 26 o 5.915000       0.8172000     439.4134      -21.5  
1 1 1 7  36 27 o 0.7434000      0.8080000     258.5868      -34.4  
1 1 1 7  36 28 o 13.75000       1.040000      574.3394      -106.2 
1 1 1 7  36 29 o 10.59000       0.9630000     383.6667      155.9  
1 1 1 7  36 30 o 15.61000       0.8706000     480.7576      -65.7  
1 1 1 7  36 31 o -0.1235000     0.6742000     175.4156      -72.2  
1 1 1 7  36 32 o 13.34000       0.9616000     562.7343      172.6  
1 1 1 7  36 33 o 23.30000       2.010000      655.9730      80.1   
1 1 1 7  36 34 o 15.16000       1.241000      550.0307      -126.4 
1 1 1 7  36 35 o 18.94000       1.135000      628.5425      -68.3  
1 1 1 7  36 36 o 1.534000       0.9834000     66.37106      -12.8  
1 1 1 7  36 37 o 29.60000       1.822000      803.2291      -36.8  
1 1 1 7  36 38 o -1.699000      1.288000      179.6034      -121.6 
1 1 1 7  36 39 o 22.41000       1.713000      750.0214      -117.0 
1 1 1 7  36 40 f 5.695000       1.095000      427.1939      11.9   
1 1 1 7  36 41 o 12.16000       1.273000      424.8923      -41.6  
1 1 1 7  36 42 o 22.64000       1.311000      730.5061      -57.8  
1 1 1 7  36 43 o 9.464000       1.186000      490.5703      170.3  
1 1 1 7  36 44 o 6.025000       1.142000      394.4702      56.5   
1 1 1 7  36 45 o 3.827000       1.120000      290.1488      -50.7  
1 1 1 7  36 46 o 6.274000       1.153000      ?             ?      
1 1 1 7  36 47 o 1.627000       1.166000      ?             ?      
1 1 1 7  36 48 o 7.645000       1.346000      ?             ?      
1 1 1 7  36 49 o 5.895000       1.272000      ?             ?      
1 1 1 7  36 50 o -0.1056000     1.187000      ?             ?      
1 1 1 7  36 51 o 0.2998000      1.235000      ?             ?      
1 1 1 7  36 52 o -0.7238000     1.444000      ?             ?      
1 1 1 7  36 53 o 2.842000       1.627000      ?             ?      
1 1 1 7  36 54 o 3.714000       1.690000      ?             ?      
1 1 1 7  36 55 o 0.1598000      1.280000      ?             ?      
1 1 1 7  36 56 o 1.001000       1.210000      ?             ?      
1 1 1 7  36 57 o 0.1262000      1.202000      ?             ?      
1 1 1 7  36 58 o 0.4960000      1.160000      ?             ?      
1 1 1 7  36 59 o 0.6138000      1.169000      ?             ?      
1 1 1 7  36 60 o -0.1799000     1.174000      ?             ?      
1 1 1 7  36 61 o 0.2267000      1.309000      ?             ?      
1 1 1 7  36 62 o 3.407000       1.470000      ?             ?      
1 1 1 7  36 63 o 1.967000       1.867000      ?             ?      
1 1 1 7  36 64 o 1.364000       1.707000      ?             ?      
1 1 1 7  37 0  o 18.43000       1.441000      470.4130      90.0   
1 1 1 7  37 1  o 17.94000       0.9985000     665.1835      110.4  
1 1 1 7  37 2  o 5.022000       0.8014000     364.4818      -23.0  
1 1 1 7  37 3  o -0.9053000     0.8432000     115.0314      175.9  
1 1 1 7  37 4  o 16.81000       0.9884000     639.6125      65.7   
1 1 1 7  37 5  o -0.9085000     0.8501000     139.4699      40.7   
1 1 1 7  37 6  o 8.266000       0.8055000     552.3232      -6.4   
1 1 1 7  37 7  o 33.29000       1.108000      842.1616      -111.9 
1 1 1 7  37 8  o 13.30000       0.7964000     507.1601      148.6  
1 1 1 7  37 9  o 24.78000       0.9183000     756.2413      -78.2  
1 1 1 7  37 10 o 0.4621000      0.8253000     184.9970      167.2  
1 1 1 7  37 11 o 11.18000       0.9870000     452.0902      -63.6  
1 1 1 7  37 12 o 27.13000       1.221000      690.3576      -72.6  
1 1 1 7  37 13 o 19.39000       1.108000      490.3337      -133.2 
1 1 1 7  37 14 o 2.606000       1.280000      93.10272      -87.4  
1 1 1 7  37 15 o 16.45000       1.596000      637.6288      63.6   
1 1 1 7  37 16 o 2.985000       1.460000      176.1473      -78.3  
1 1 1 7  37 17 o 10.20000       1.511000      405.6282      3.9    
1 1 1 7  37 18 o 1.322000       1.043000      228.4086      -151.3 
1 1 1 7  37 19 o 7.697000       1.094000      347.0380      -157.8 
1 1 1 7  37 20 o 18.26000       1.231000      580.8748      11.3   
1 1 1 7  37 21 o 3.631000       1.049000      296.6508      -142.0 
1 1 1 7  37 22 o 8.280000       1.079000      517.1818      23.0   
1 1 1 7  37 23 o 1.510000       1.040000      184.2002      -4.6   
1 1 1 7  37 24 o 11.04000       1.144000      572.2257      -159.5 
1 1 1 7  37 25 o 9.256000       0.9186000     379.3168      89.9   
1 1 1 7  37 26 o 11.53000       0.9577000     526.1562      -9.1   
1 1 1 7  37 27 o 2.516000       0.8477000     173.6918      -21.6  
1 1 1 7  37 28 o 2.193000       0.8433000     252.7769      170.1  
1 1 1 7  37 29 o 1.100000       0.8562000     203.4361      20.4   
1 1 1 7  37 30 o -0.4542000     0.8538000     127.0558      102.3  
1 1 1 7  37 31 o 2.673000       0.7094000     328.9656      175.1  
1 1 1 7  37 32 o 2.706000       0.7912000     204.9035      -52.7  
1 1 1 7  37 33 o 11.93000       1.068000      556.8903      61.4   
1 1 1 7  37 34 o 3.306000       1.896000      201.4231      -3.2   
1 1 1 7  37 35 o 9.262000       1.160000      509.8694      -45.2  
1 1 1 7  37 36 o 15.36000       1.498000      706.6145      48.4   
1 1 1 7  37 37 o 25.99000       1.749000      606.2772      -77.4  
1 1 1 7  37 38 f 21.15000       1.412000      652.4551      -54.6  
1 1 1 7  37 39 o 0.8605000      1.675000      328.2387      105.2  
1 1 1 7  37 40 o 3.019000       1.046000      304.7149      -155.6 
1 1 1 7  37 41 o 3.555000       1.103000      306.6575      31.4   
1 1 1 7  37 42 o -0.7370000     1.130000      117.4875      -141.2 
1 1 1 7  37 43 o 4.040000       1.152000      255.0368      -171.5 
1 1 1 7  37 44 o 3.543000       1.149000      329.6564      -159.9 
1 1 1 7  37 45 o 0.4663000E-01  1.096000      ?             ?      
1 1 1 7  37 46 o 4.569000       1.116000      ?             ?      
1 1 1 7  37 47 o 7.261000       1.233000      ?             ?      
1 1 1 7  37 48 o 1.593000       1.301000      ?             ?      
1 1 1 7  37 49 o 3.893000       1.191000      ?             ?      
1 1 1 7  37 50 o 8.556000       1.162000      ?             ?      
1 1 1 7  37 51 o 10.56000       1.175000      ?             ?      
1 1 1 7  37 52 o 0.3019000      1.466000      ?             ?      
1 1 1 7  37 53 o 1.860000       1.370000      ?             ?      
1 1 1 7  37 54 o 2.823000       1.448000      ?             ?      
1 1 1 7  37 55 o 2.512000       1.525000      ?             ?      
1 1 1 7  37 56 o 1.251000       1.538000      ?             ?      
1 1 1 7  37 57 o 5.076000       1.277000      ?             ?      
1 1 1 7  37 58 o 2.092000       1.177000      ?             ?      
1 1 1 7  37 59 o 1.403000       1.236000      ?             ?      
1 1 1 7  37 60 o 3.050000       1.248000      ?             ?      
1 1 1 7  37 61 o -0.7520000     1.301000      ?             ?      
1 1 1 7  37 62 o -0.4488000     1.353000      ?             ?      
1 1 1 7  37 63 o 2.183000       1.300000      ?             ?      
1 1 1 7  38 0  o 0.8809000      1.039000      34.70243      -90.0  
1 1 1 7  38 1  o 16.30000       0.9224000     486.0856      -122.2 
1 1 1 7  38 2  o 10.34000       0.8398000     389.8743      66.4   
1 1 1 7  38 3  o 1.459000       0.7352000     141.2448      8.9    
1 1 1 7  38 4  o 0.7740000      0.8127000     197.5639      -140.8 
1 1 1 7  38 5  o 18.63000       1.018000      694.9764      58.6   
1 1 1 7  38 6  o 3.238000       0.7819000     287.4489      -44.5  
1 1 1 7  38 7  o 0.9720000E-01  0.7149000     171.4915      -89.7  
1 1 1 7  38 8  o 12.25000       0.8878000     281.4816      18.1   
1 1 1 7  38 9  o 33.37000       1.165000      788.8115      157.1  
1 1 1 7  38 10 o 27.63000       1.261000      631.8159      75.6   
1 1 1 7  38 11 o 24.56000       1.195000      682.8312      -60.1  
1 1 1 7  38 12 o 50.71000       1.746000      992.8738      -19.0  
1 1 1 7  38 13 o 6.241000       0.9934000     347.2874      77.3   
1 1 1 7  38 14 o -0.2325000     1.287000      222.7507      23.0   
1 1 1 7  38 15 o 5.496000       1.146000      284.3933      -10.4  
1 1 1 7  38 16 o 0.2934000      1.471000      267.8566      -140.3 
1 1 1 7  38 17 o 1.649000       1.063000      60.64211      -60.4  
1 1 1 7  38 18 o 0.4445000E-01  1.033000      387.4839      -64.1  
1 1 1 7  38 19 o 3.926000       1.064000      256.2570      -161.9 
1 1 1 7  38 20 o 10.90000       1.129000      416.1860      98.4   
1 1 1 7  38 21 o 3.475000       1.061000      138.5410      62.3   
1 1 1 7  38 22 o 6.976000       1.102000      290.5039      -98.4  
1 1 1 7  38 23 o 6.513000       1.089000      222.2747      -120.5 
1 1 1 7  38 24 o 8.178000       1.151000      381.0408      178.8  
1 1 1 7  38 25 o 1.675000       1.130000      312.6779      -130.8 
1 1 1 7  38 26 f 2.334000       0.9185000     159.2508      -150.8 
1 1 1 7  38 27 o 10.55000       1.004000      481.9676      29.9   
1 1 1 7  38 28 o 2.028000       0.9363000     184.9155      158.7  
1 1 1 7  38 29 o 6.743000       1.174000      266.4330      -155.2 
1 1 1 7  38 30 o 19.33000       1.065000      634.4810      -82.8  
1 1 1 7  38 31 o 11.00000       1.124000      511.8345      158.1  
1 1 1 7  38 32 o 3.616000       1.187000      255.6293      126.1  
1 1 1 7  38 33 o 20.62000       1.180000      562.1341      60.0   
1 1 1 7  38 34 o 4.842000       1.469000      271.3685      99.3   
1 1 1 7  38 35 o 4.797000       1.179000      364.5782      52.8   
1 1 1 7  38 36 o 3.298000       1.130000      223.8078      102.9  
1 1 1 7  38 37 o 0.8591000      1.059000      204.8502      163.3  
1 1 1 7  38 38 o 10.77000       1.293000      308.0349      -77.4  
1 1 1 7  38 39 o 2.739000       1.166000      293.8179      -140.1 
1 1 1 7  38 40 o 1.411000       1.217000      183.4193      101.8  
1 1 1 7  38 41 o 1.628000       1.045000      110.7347      -54.8  
1 1 1 7  38 42 o 16.34000       1.328000      485.5993      -140.7 
1 1 1 7  38 43 o 1.466000       1.110000      91.38293      -106.0 
1 1 1 7  38 44 o 0.4050000      1.096000      ?             ?      
1 1 1 7  38 45 o 7.230000       1.128000      ?             ?      
1 1 1 7  38 46 o 0.4901000E-01  1.128000      ?             ?      
1 1 1 7  38 47 o 6.306000       1.308000      ?             ?      
1 1 1 7  38 48 o 12.08000       1.369000      ?             ?      
1 1 1 7  38 49 o -0.5275000     1.079000      ?             ?      
1 1 1 7  38 50 o 0.7344000      1.084000      ?             ?      
1 1 1 7  38 51 o 0.9658000      1.104000      ?             ?      
1 1 1 7  38 52 o -0.1029000     1.221000      ?             ?      
1 1 1 7  38 53 o 3.096000       1.329000      ?             ?      
1 1 1 7  38 54 o -0.9680000     1.220000      ?             ?      
1 1 1 7  38 55 o -2.691000      1.407000      ?             ?      
1 1 1 7  38 56 o 1.698000       1.555000      ?             ?      
1 1 1 7  38 57 o 1.064000       1.252000      ?             ?      
1 1 1 7  38 58 o 1.891000       1.218000      ?             ?      
1 1 1 7  38 59 o 0.4695000      1.268000      ?             ?      
1 1 1 7  38 60 o 5.158000       1.389000      ?             ?      
1 1 1 7  38 62 o 3.591000       1.462000      ?             ?      
1 1 1 7  38 63 o 3.422000       1.313000      ?             ?      
1 1 1 7  39 0  o 0.6510000      1.021000      81.87074      90.0   
1 1 1 7  39 1  o -0.3295000     0.7849000     159.3387      153.9  
1 1 1 7  39 2  o -0.3835000     0.8282000     57.53302      -139.5 
1 1 1 7  39 3  o 13.94000       0.8894000     371.7242      145.1  
1 1 1 7  39 4  o 2.046000       0.8320000     144.4761      52.9   
1 1 1 7  39 5  o 27.01000       1.157000      678.3224      17.4   
1 1 1 7  39 6  o 2.686000       0.7877000     370.3550      129.5  
1 1 1 7  39 7  o 21.15000       0.9841000     496.1709      -130.2 
1 1 1 7  39 8  o 11.31000       0.7661000     287.9073      151.7  
1 1 1 7  39 9  o 1.134000       0.6817000     129.8991      -18.5  
1 1 1 7  39 10 o 7.229000       0.7311000     291.6863      61.6   
1 1 1 7  39 11 o 0.9470000      0.7613000     103.0064      -0.5   
1 1 1 7  39 12 o 1.491000       0.7818000     107.9973      53.2   
1 1 1 7  39 13 o 20.82000       1.495000      440.2619      119.0  
1 1 1 7  39 14 o 0.6329000      1.378000      160.0448      56.7   
1 1 1 7  39 15 o 8.271000       1.555000      436.6811      97.9   
1 1 1 7  39 16 o 1.183000       1.445000      193.0103      -82.6  
1 1 1 7  39 17 o 13.36000       1.163000      423.6822      -35.4  
1 1 1 7  39 18 o 16.08000       1.204000      445.2837      89.2   
1 1 1 7  39 19 o 4.809000       1.093000      211.1457      59.9   
1 1 1 7  39 20 o 11.84000       1.168000      482.4381      -24.3  
1 1 1 7  39 21 o 1.501000       1.076000      84.66888      -107.5 
1 1 1 7  39 22 o 6.706000       1.140000      373.4885      -34.4  
1 1 1 7  39 23 o -0.1283000     1.091000      31.72610      -56.8  
1 1 1 7  39 24 o 1.298000       1.104000      123.5307      -135.4 
1 1 1 7  39 25 o 4.973000       1.169000      238.4591      -51.2  
1 1 1 7  39 26 o 9.867000       1.264000      385.1580      138.4  
1 1 1 7  39 27 o 4.843000       0.9966000     330.7544      111.7  
1 1 1 7  39 28 o 11.55000       1.069000      436.7906      7.4    
1 1 1 7  39 29 o 2.846000       0.9942000     264.9398      -56.4  
1 1 1 7  39 30 o 1.789000       1.075000      188.6152      147.4  
1 1 1 7  39 31 o -1.580000      1.155000      94.56064      -114.5 
1 1 1 7  39 32 o -2.396000      1.982000      41.97872      -156.5 
1 1 1 7  39 33 o 3.636000       0.7578000     257.7539      150.9  
1 1 1 7  39 34 o 4.635000       0.8632000     216.8264      -71.0  
1 1 1 7  39 35 o 5.285000       0.9477000     293.9802      -96.0  
1 1 1 7  39 36 o 2.429000       0.9702000     158.0016      -46.5  
1 1 1 7  39 37 o -1.632000      1.021000      88.25170      -172.9 
1 1 1 7  39 38 o 2.273000       0.9515000     136.7197      -107.7 
1 1 1 7  39 39 o 2.062000       1.144000      194.8093      142.7  
1 1 1 7  39 40 o 2.508000       1.181000      230.2634      -139.8 
1 1 1 7  39 41 o 4.388000       1.206000      319.1233      -41.3  
1 1 1 7  39 42 o 2.754000       1.055000      207.2103      -110.7 
1 1 1 7  39 43 o 5.201000       1.082000      ?             ?      
1 1 1 7  39 44 o 0.6090000      1.056000      ?             ?      
1 1 1 7  39 45 o 4.166000       1.072000      ?             ?      
1 1 1 7  39 46 o 4.242000       1.167000      ?             ?      
1 1 1 7  39 47 o 0.3682000      1.240000      ?             ?      
1 1 1 7  39 48 o 10.07000       1.212000      ?             ?      
1 1 1 7  39 49 o 0.2542000      1.071000      ?             ?      
1 1 1 7  39 50 o 2.120000       1.087000      ?             ?      
1 1 1 7  39 51 o 2.252000       1.084000      ?             ?      
1 1 1 7  39 52 o 3.151000       1.094000      ?             ?      
1 1 1 7  39 53 o -0.7059000     1.229000      ?             ?      
1 1 1 7  39 54 o 1.883000       1.335000      ?             ?      
1 1 1 7  39 55 o 0.4375000      1.211000      ?             ?      
1 1 1 7  39 56 o 5.159000       1.460000      ?             ?      
1 1 1 7  39 57 o 2.435000       1.314000      ?             ?      
1 1 1 7  39 58 o 4.544000       1.188000      ?             ?      
1 1 1 7  39 59 o 4.773000       1.276000      ?             ?      
1 1 1 7  39 60 o -1.367000      1.394000      ?             ?      
1 1 1 7  39 61 o 1.406000       1.349000      ?             ?      
1 1 1 7  39 62 o 2.957000       2.023000      ?             ?      
1 1 1 7  40 0  o 21.26000       1.302000      427.5164      -90.0  
1 1 1 7  40 1  o 0.5282000E-02  0.7956000     113.3185      -96.1  
1 1 1 7  40 2  o 4.563000       0.8609000     138.8735      -122.7 
1 1 1 7  40 3  o 6.763000       0.8328000     243.6969      10.5   
1 1 1 7  40 4  o 12.18000       0.8266000     395.9062      162.0  
1 1 1 7  40 5  o 3.036000       0.9006000     216.0869      61.6   
1 1 1 7  40 6  o 2.709000       0.8813000     73.07659      162.5  
1 1 1 7  40 7  o 2.454000       0.7770000     166.0685      170.9  
1 1 1 7  40 8  o 1.059000       0.7035000     127.1430      177.7  
1 1 1 7  40 9  o 8.625000       0.7309000     365.6451      -142.3 
1 1 1 7  40 10 f 4.963000       0.7226000     44.55067      -55.4  
1 1 1 7  40 11 o 2.892000       0.8145000     25.45216      -111.1 
1 1 1 7  40 12 o 0.5075000      0.7734000     65.76646      138.3  
1 1 1 7  40 13 o 0.4905000      1.375000      52.22841      125.2  
1 1 1 7  40 14 o 8.841000       1.254000      410.0396      43.2   
1 1 1 7  40 15 o 9.079000       1.565000      290.3418      -82.1  
1 1 1 7  40 16 o 3.357000       1.462000      252.9099      -105.6 
1 1 1 7  40 17 o 1.273000       1.051000      104.1154      109.6  
1 1 1 7  40 18 o 1.867000       1.084000      169.1920      -164.8 
1 1 1 7  40 19 o 12.28000       1.174000      421.5122      131.9  
1 1 1 7  40 20 o 15.99000       1.260000      548.4632      11.3   
1 1 1 7  40 21 o 2.987000       1.119000      200.8006      -17.7  
1 1 1 7  40 22 o 16.46000       1.284000      490.9904      -166.4 
1 1 1 7  40 23 o 4.838000       1.163000      236.6392      -21.3  
1 1 1 7  40 24 o 13.30000       1.266000      380.4761      -158.3 
1 1 1 7  40 25 o 3.060000       1.174000      267.0493      -145.9 
1 1 1 7  40 26 f 13.23000       1.325000      576.3596      54.0   
1 1 1 7  40 27 o 8.808000       1.314000      190.8635      82.7   
1 1 1 7  40 28 o -1.527000      1.274000      97.10619      -135.3 
1 1 1 7  40 29 o 2.038000       1.471000      237.7100      -173.1 
1 1 1 7  40 30 o 0.3077000      1.310000      138.8089      -158.6 
1 1 1 7  40 31 o 6.440000       2.158000      255.5578      69.8   
1 1 1 7  40 32 o 1.255000       2.002000      76.13569      -62.4  
1 1 1 7  40 33 o 1.557000       0.9492000     67.74734      -178.0 
1 1 1 7  40 34 o 3.549000       0.6885000     256.4713      -31.1  
1 1 1 7  40 35 o 0.7965000E-01  0.7591000     94.12085      78.1   
1 1 1 7  40 36 o 2.286000       1.083000      45.45437      -82.3  
1 1 1 7  40 37 o 2.399000       0.9602000     90.78548      -107.8 
1 1 1 7  40 38 o 3.772000       0.9245000     285.7207      -125.7 
1 1 1 7  40 39 o 1.696000       0.9407000     191.1385      -112.1 
1 1 1 7  40 40 o 0.5593000      1.151000      79.80341      -147.9 
1 1 1 7  40 41 o -0.6938000     1.304000      ?             ?      
1 1 1 7  40 42 o 2.604000       1.196000      ?             ?      
1 1 1 7  40 43 o 4.906000       1.041000      ?             ?      
1 1 1 7  40 44 o 0.9993000      1.026000      ?             ?      
1 1 1 7  40 45 o 0.9730000      1.061000      ?             ?      
1 1 1 7  40 46 o -0.6914000     1.176000      ?             ?      
1 1 1 7  40 47 o 5.559000       1.192000      ?             ?      
1 1 1 7  40 48 o 0.1383000      1.081000      ?             ?      
1 1 1 7  40 49 o -0.6450000     1.062000      ?             ?      
1 1 1 7  40 50 o 2.367000       1.094000      ?             ?      
1 1 1 7  40 51 o 2.146000       1.066000      ?             ?      
1 1 1 7  40 52 o -0.3648000     1.053000      ?             ?      
1 1 1 7  40 53 o -0.5465000     1.075000      ?             ?      
1 1 1 7  40 54 o -0.3287000     1.323000      ?             ?      
1 1 1 7  40 55 o 1.080000       1.365000      ?             ?      
1 1 1 7  40 56 o 0.2240000      1.279000      ?             ?      
1 1 1 7  40 57 o 0.9977000      1.416000      ?             ?      
1 1 1 7  40 58 o -0.2151000     1.284000      ?             ?      
1 1 1 7  40 59 o -0.6582000     1.264000      ?             ?      
1 1 1 7  40 60 o 0.8597000      1.464000      ?             ?      
1 1 1 7  40 61 o 1.919000       1.325000      ?             ?      
1 1 1 7  41 0  o 2.283000       1.084000      148.0063      90.0   
1 1 1 7  41 1  o 2.456000       0.7514000     100.6010      -103.5 
1 1 1 7  41 2  o 6.665000       0.8989000     169.3473      -130.3 
1 1 1 7  41 3  o 9.765000       0.8816000     243.1469      31.0   
1 1 1 7  41 4  o -0.4857000     0.7537000     141.2024      4.3    
1 1 1 7  41 5  o 4.730000       0.8730000     106.0157      117.4  
1 1 1 7  41 6  o 11.35000       0.9706000     333.6113      161.2  
1 1 1 7  41 7  o 4.754000       0.8258000     202.7408      -94.5  
1 1 1 7  41 8  o 2.418000       0.7176000     74.55417      36.0   
1 1 1 7  41 9  o 7.446000       0.7635000     113.8786      20.8   
1 1 1 7  41 10 o 3.444000       0.7037000     173.0379      -89.7  
1 1 1 7  41 11 o 7.142000       1.078000      267.4724      43.2   
1 1 1 7  41 12 o 1.504000       0.8194000     192.8913      116.9  
1 1 1 7  41 13 o 6.530000       1.434000      205.3111      -168.0 
1 1 1 7  41 14 o -0.5409000     1.579000      87.39669      50.0   
1 1 1 7  41 15 o -1.915000      1.511000      79.41167      13.1   
1 1 1 7  41 16 o 2.577000       1.108000      170.8295      -159.4 
1 1 1 7  41 17 o 5.962000       1.113000      182.8288      -23.3  
1 1 1 7  41 18 o 3.487000       1.098000      62.30702      -168.2 
1 1 1 7  41 19 o -1.210000      1.084000      47.75358      46.1   
1 1 1 7  41 20 o 4.636000       1.213000      201.4695      -25.2  
1 1 1 7  41 21 o -0.6052000     1.107000      38.26723      -150.1 
1 1 1 7  41 22 o 1.974000       1.126000      13.07581      80.8   
1 1 1 7  41 23 o 5.208000       1.172000      171.7733      -64.2  
1 1 1 7  41 24 f 0.8581000      1.174000      77.82239      -168.1 
1 1 1 7  41 25 o 0.7952000E-01  1.212000      119.5125      161.9  
1 1 1 7  41 26 o 7.724000       1.392000      267.0956      173.0  
1 1 1 7  41 27 o -0.1776000     1.635000      72.34738      -156.2 
1 1 1 7  41 28 o 12.84000       1.454000      316.6631      77.8   
1 1 1 7  41 29 o 4.570000       1.792000      270.8697      -89.7  
1 1 1 7  41 30 o 5.607000       1.221000      218.0356      156.4  
1 1 1 7  41 31 o 3.388000       1.214000      94.02671      45.8   
1 1 1 7  41 32 o 2.520000       1.052000      122.7731      -173.2 
1 1 1 7  41 33 o 3.407000       1.016000      117.9233      69.4   
1 1 1 7  41 34 o 0.2313000      0.9543000     69.71365      -96.8  
1 1 1 7  41 35 o 0.1635000      0.9893000     103.4439      -114.3 
1 1 1 7  41 36 o 3.410000       0.7573000     124.1689      106.2  
1 1 1 7  41 37 o 0.7694000      0.8647000     44.86980      -19.6  
1 1 1 7  41 38 o 1.670000       0.9489000     22.59575      33.3   
1 1 1 7  41 39 o 2.016000       0.8910000     156.1637      -94.8  
1 1 1 7  41 40 o 1.078000       0.9277000     ?             ?      
1 1 1 7  41 41 o 6.625000       1.175000      ?             ?      
1 1 1 7  41 42 o 4.228000       1.167000      ?             ?      
1 1 1 7  41 43 o 5.833000       1.189000      ?             ?      
1 1 1 7  41 44 o 1.013000       0.9800000     ?             ?      
1 1 1 7  41 45 o 4.832000       1.095000      ?             ?      
1 1 1 7  41 46 o 0.2089000      1.150000      ?             ?      
1 1 1 7  41 47 o -0.8276000     1.050000      ?             ?      
1 1 1 7  41 48 o -0.4454000E-01 1.027000      ?             ?      
1 1 1 7  41 49 o 1.311000       1.045000      ?             ?      
1 1 1 7  41 50 o 1.920000       1.059000      ?             ?      
1 1 1 7  41 51 o 0.6232000      1.067000      ?             ?      
1 1 1 7  41 52 o 1.903000       1.086000      ?             ?      
1 1 1 7  41 53 o 1.603000       1.072000      ?             ?      
1 1 1 7  41 54 o 0.3929000      1.102000      ?             ?      
1 1 1 7  41 55 o 3.495000       1.404000      ?             ?      
1 1 1 7  41 56 o 1.306000       1.263000      ?             ?      
1 1 1 7  41 57 o 1.345000       1.286000      ?             ?      
1 1 1 7  41 58 o 3.383000       1.521000      ?             ?      
1 1 1 7  41 59 o -0.8904000     1.456000      ?             ?      
1 1 1 7  41 60 o -1.145000      1.292000      ?             ?      
1 1 1 7  42 0  o 4.578000       1.337000      189.7104      -90.0  
1 1 1 7  42 1  o -0.1069000     0.7609000     81.97149      38.0   
1 1 1 7  42 2  o 1.744000       0.8332000     104.0388      -144.8 
1 1 1 7  42 3  o 3.257000       0.9101000     152.5208      142.6  
1 1 1 7  42 4  o 11.19000       0.9612000     157.8670      88.2   
1 1 1 7  42 5  o 2.056000       0.8686000     115.2098      -54.4  
1 1 1 7  42 6  o 10.55000       1.117000      224.0264      -129.3 
1 1 1 7  42 7  o 2.120000       0.8108000     62.80379      163.2  
1 1 1 7  42 8  o 0.3920000      0.7069000     150.7364      112.2  
1 1 1 7  42 9  o 2.793000       0.7008000     146.8476      155.2  
1 1 1 7  42 10 o 3.893000       0.6918000     226.6307      156.3  
1 1 1 7  42 11 o 2.653000       1.086000      65.81429      130.9  
1 1 1 7  42 12 o -1.012000      0.7784000     100.4685      70.4   
1 1 1 7  42 13 o 1.904000       1.175000      86.40556      -20.9  
1 1 1 7  42 14 o 4.775000       1.625000      148.3126      48.3   
1 1 1 7  42 15 o 5.022000       1.597000      231.6219      -76.5  
1 1 1 7  42 16 o 3.518000       1.132000      134.1796      -169.1 
1 1 1 7  42 17 o 2.013000       1.119000      87.89632      -108.6 
1 1 1 7  42 18 o 4.390000       1.145000      98.15072      12.2   
1 1 1 7  42 19 o 1.674000       1.134000      89.92456      -23.9  
1 1 1 7  42 20 o 1.006000       1.129000      106.6007      114.3  
1 1 1 7  42 21 o 2.412000       1.148000      101.3821      102.0  
1 1 1 7  42 22 o 4.971000       1.176000      169.6946      -48.2  
1 1 1 7  42 23 o 1.802000       1.173000      200.5129      -118.9 
1 1 1 7  42 24 o 1.967000       1.535000      58.98271      -17.1  
1 1 1 7  42 25 o 0.6364000      1.283000      133.6256      12.3   
1 1 1 7  42 26 o 0.3283000      1.272000      74.09939      92.9   
1 1 1 7  42 27 o 4.808000       1.357000      209.4825      -95.3  
1 1 1 7  42 28 o 1.431000       1.405000      40.38583      -13.5  
1 1 1 7  42 29 o 11.89000       1.977000      184.1661      166.9  
1 1 1 7  42 30 o -1.037000      2.104000      64.84363      69.3   
1 1 1 7  42 31 o 0.8411000      1.129000      103.5399      -100.7 
1 1 1 7  42 32 o -0.8395000     1.037000      76.67770      -124.6 
1 1 1 7  42 33 o -0.9125000     1.032000      68.65834      106.5  
1 1 1 7  42 34 f 0.2421000E-01  1.006000      75.84439      -77.3  
1 1 1 7  42 35 o 2.315000       1.274000      150.7139      44.0   
1 1 1 7  42 36 o 1.017000       1.006000      50.67746      130.0  
1 1 1 7  42 37 o 0.9234000      0.7343000     159.4882      -124.5 
1 1 1 7  42 38 o 1.550000       0.8577000     98.73280      15.1   
1 1 1 7  42 39 o 0.5052000      0.8875000     ?             ?      
1 1 1 7  42 40 o 0.2257000      0.8538000     ?             ?      
1 1 1 7  42 41 o 0.7513000      0.8356000     ?             ?      
1 1 1 7  42 42 o 0.6852000      1.079000      ?             ?      
1 1 1 7  42 43 o 1.562000       1.105000      ?             ?      
1 1 1 7  42 44 o 0.6938000      1.304000      ?             ?      
1 1 1 7  42 45 o 1.243000       1.088000      ?             ?      
1 1 1 7  42 46 o -0.1416000E-01 1.047000      ?             ?      
1 1 1 7  42 47 o 1.013000       0.9904000     ?             ?      
1 1 1 7  42 48 o 1.057000       1.017000      ?             ?      
1 1 1 7  42 49 o 1.361000       1.031000      ?             ?      
1 1 1 7  42 50 o 1.482000       1.034000      ?             ?      
1 1 1 7  42 51 o -0.2005000     1.041000      ?             ?      
1 1 1 7  42 52 o -0.9661000     1.054000      ?             ?      
1 1 1 7  42 53 o 0.8727000      1.086000      ?             ?      
1 1 1 7  42 54 o 1.386000       1.112000      ?             ?      
1 1 1 7  42 55 o -1.729000      1.232000      ?             ?      
1 1 1 7  42 56 o 2.236000       1.899000      ?             ?      
1 1 1 7  42 57 o -0.9955000E-01 1.261000      ?             ?      
1 1 1 7  42 58 o 1.281000       1.458000      ?             ?      
1 1 1 7  42 59 o -1.367000      1.932000      ?             ?      
1 1 1 7  43 0  o 2.928000       1.142000      61.11905      90.0   
1 1 1 7  43 1  o 3.809000       0.7791000     92.23190      -88.2  
1 1 1 7  43 2  o 2.012000       0.8437000     181.6282      159.5  
1 1 1 7  43 3  o 0.6923000      0.8908000     59.27811      -105.5 
1 1 1 7  43 4  o 4.811000       0.8496000     96.43529      -56.6  
1 1 1 7  43 5  o -0.4309000     0.7694000     31.84453      134.0  
1 1 1 7  43 6  o 12.60000       1.321000      165.7821      178.2  
1 1 1 7  43 7  o 1.445000       0.9121000     49.17929      153.1  
1 1 1 7  43 8  o -0.2511000     0.7950000     88.31953      -52.3  
1 1 1 7  43 9  o 0.5148000      0.6889000     32.01535      -2.2   
1 1 1 7  43 10 o 1.555000       0.6655000     64.49439      -88.8  
1 1 1 7  43 11 o 2.383000       0.9433000     132.5818      89.8   
1 1 1 7  43 12 o 0.5152000E-01  0.7861000     33.38013      -156.7 
1 1 1 7  43 13 o 0.7764000      1.078000      88.77178      -163.5 
1 1 1 7  43 14 o 1.395000       1.575000      112.2077      51.7   
1 1 1 7  43 15 o 1.136000       1.147000      159.6753      -144.0 
1 1 1 7  43 16 o 0.6645000      1.142000      119.7708      -68.3  
1 1 1 7  43 17 o 3.442000       1.184000      35.89435      -4.0   
1 1 1 7  43 18 o 4.791000       1.193000      145.9697      -48.6  
1 1 1 7  43 19 o 2.363000       1.171000      96.43083      13.1   
1 1 1 7  43 20 o 0.8695000      1.173000      40.54957      24.7   
1 1 1 7  43 21 o 2.474000       1.510000      60.52418      175.6  
1 1 1 7  43 22 o -1.269000      1.514000      106.0201      109.8  
1 1 1 7  43 23 o 3.572000       1.211000      87.64902      -81.4  
1 1 1 7  43 24 o 1.469000       1.222000      80.88737      56.0   
1 1 1 7  43 25 o 2.656000       1.282000      116.9505      -112.8 
1 1 1 7  43 26 o 7.213000       1.393000      52.81738      69.8   
1 1 1 7  43 27 o 5.091000       1.411000      83.14230      162.8  
1 1 1 7  43 28 o -2.097000      1.800000      122.1182      -88.1  
1 1 1 7  43 29 o 12.32000       2.086000      167.1502      -99.4  
1 1 1 7  43 30 o -1.062000      2.064000      67.30669      44.7   
1 1 1 7  43 31 o -1.435000      1.493000      64.74891      84.8   
1 1 1 7  43 32 o 0.9519000      1.501000      107.8858      -146.1 
1 1 1 7  43 33 o 0.2777000      1.053000      92.46249      79.7   
1 1 1 7  43 34 o 11.55000       1.309000      307.8474      -178.9 
1 1 1 7  43 35 o 3.061000       1.052000      88.77316      109.6  
1 1 1 7  43 36 o 2.104000       1.052000      100.3636      -135.7 
1 1 1 7  43 37 o 4.595000       1.071000      ?             ?      
1 1 1 7  43 38 o 0.5452000E-01  0.7036000     ?             ?      
1 1 1 7  43 39 o 0.6919000      0.7851000     ?             ?      
1 1 1 7  43 40 o 0.8415000      0.8391000     ?             ?      
1 1 1 7  43 41 o 0.2697000      0.8289000     ?             ?      
1 1 1 7  43 42 o 0.1910000      0.7848000     ?             ?      
1 1 1 7  43 43 o 2.786000       0.8968000     ?             ?      
1 1 1 7  43 44 o 3.925000       1.223000      ?             ?      
1 1 1 7  43 45 o 1.293000       1.551000      ?             ?      
1 1 1 7  43 46 o 0.7734000      0.9665000     ?             ?      
1 1 1 7  43 47 o 0.6735000      0.9554000     ?             ?      
1 1 1 7  43 48 o -0.1372000     0.9743000     ?             ?      
1 1 1 7  43 49 o 1.120000       1.006000      ?             ?      
1 1 1 7  43 50 o 0.3260000      1.003000      ?             ?      
1 1 1 7  43 51 o -0.5446000E-01 1.025000      ?             ?      
1 1 1 7  43 52 o 2.460000       1.060000      ?             ?      
1 1 1 7  43 53 o 0.3647000E-01  1.072000      ?             ?      
1 1 1 7  43 54 o 0.3850000      1.085000      ?             ?      
1 1 1 7  43 55 o 0.9116000      1.119000      ?             ?      
1 1 1 7  43 56 o -0.4541000     1.870000      ?             ?      
1 1 1 7  43 57 o 0.9361000      1.468000      ?             ?      
1 1 1 7  43 58 o 0.4539000      1.640000      ?             ?      
1 1 1 7  44 0  o 5.943000       1.168000      158.7990      90.0   
1 1 1 7  44 1  o 3.707000       0.7902000     100.9206      -105.1 
1 1 1 7  44 2  o 1.957000       0.8611000     67.36280      -177.5 
1 1 1 7  44 3  o 5.815000       0.9404000     93.19598      -13.6  
1 1 1 7  44 4  o 5.130000       0.8665000     234.1437      -86.1  
1 1 1 7  44 5  o 1.936000       0.7836000     159.0680      -20.7  
1 1 1 7  44 6  o 2.478000       0.8616000     59.52432      -172.6 
1 1 1 7  44 7  o 7.252000       0.9919000     183.7357      64.0   
1 1 1 7  44 8  o 2.492000       0.8247000     36.69721      -147.0 
1 1 1 7  44 9  o 1.690000       0.6988000     205.9760      -17.7  
1 1 1 7  44 10 o 0.8492000      0.6352000     120.3313      116.2  
1 1 1 7  44 11 o 1.106000       0.8333000     115.6524      -6.5   
1 1 1 7  44 12 o 6.105000       0.8145000     329.1860      -54.9  
1 1 1 7  44 13 o 1.766000       1.557000      139.2533      -89.1  
1 1 1 7  44 14 o 10.03000       1.774000      280.0044      -178.8 
1 1 1 7  44 15 o 4.443000       1.196000      187.4373      15.2   
1 1 1 7  44 16 o 0.9286000      1.167000      117.1344      -70.1  
1 1 1 7  44 17 o 13.62000       1.387000      302.8291      157.2  
1 1 1 7  44 18 o -1.371000      1.238000      122.5864      96.0   
1 1 1 7  44 19 o 1.788000       1.545000      107.0076      5.1    
1 1 1 7  44 20 o 0.2981000      1.219000      113.6271      46.8   
1 1 1 7  44 21 o -0.2846000     1.217000      78.81991      -83.3  
1 1 1 7  44 22 o 0.3117000      1.216000      198.1543      -31.2  
1 1 1 7  44 23 o 3.452000       1.222000      136.9383      178.5  
1 1 1 7  44 24 o 3.904000       1.272000      254.4378      -16.3  
1 1 1 7  44 25 o 9.178000       1.841000      168.2235      102.1  
1 1 1 7  44 26 o -0.9049000     1.385000      128.4006      5.1    
1 1 1 7  44 27 o -1.245000      1.855000      47.16382      174.6  
1 1 1 7  44 28 o -1.954000      1.920000      135.7720      103.5  
1 1 1 7  44 29 o 4.106000       2.096000      128.4376      113.8  
1 1 1 7  44 30 o -2.280000      2.017000      82.89597      -98.3  
1 1 1 7  44 31 o 2.478000       1.491000      94.12728      -176.8 
1 1 1 7  44 32 o 4.011000       1.533000      204.2613      -91.6  
1 1 1 7  44 33 o 2.479000       1.546000      113.5466      -105.7 
1 1 1 7  44 34 o 0.8668000      1.055000      140.5727      161.6  
1 1 1 7  44 35 o 3.883000       1.225000      ?             ?      
1 1 1 7  44 36 o 0.3769000      1.017000      ?             ?      
1 1 1 7  44 37 o -0.6040000     1.002000      ?             ?      
1 1 1 7  44 38 o 0.9174000      1.022000      ?             ?      
1 1 1 7  44 39 o 0.9909000      1.533000      ?             ?      
1 1 1 7  44 40 o -0.2428000     0.7267000     ?             ?      
1 1 1 7  44 41 o -1.215000      0.8026000     ?             ?      
1 1 1 7  44 42 o 1.494000       0.8083000     ?             ?      
1 1 1 7  44 43 o 0.5240000      0.7832000     ?             ?      
1 1 1 7  44 44 o 1.397000       0.9432000     ?             ?      
1 1 1 7  44 45 o -1.777000      1.060000      ?             ?      
1 1 1 7  44 46 o 0.3301000      1.198000      ?             ?      
1 1 1 7  44 47 o 1.863000       1.068000      ?             ?      
1 1 1 7  44 48 o 4.208000       0.9608000     ?             ?      
1 1 1 7  44 49 o 0.2576000      0.9437000     ?             ?      
1 1 1 7  44 50 o 0.4952000      0.9741000     ?             ?      
1 1 1 7  44 51 o 2.392000       1.026000      ?             ?      
1 1 1 7  44 52 o 0.5432000      1.028000      ?             ?      
1 1 1 7  44 53 o 0.4840000      1.036000      ?             ?      
1 1 1 7  44 54 o -0.5931000     1.056000      ?             ?      
1 1 1 7  44 55 o 1.395000       1.111000      ?             ?      
1 1 1 7  44 56 o 0.1075000      1.116000      ?             ?      
1 1 1 7  44 57 o -1.442000      1.547000      ?             ?      
1 1 1 7  45 0  o -1.181000      1.127000      43.13670      90.0   
1 1 1 7  45 1  o 2.507000       0.7985000     133.1676      -46.1  
1 1 1 7  45 2  o 0.4003000      0.7926000     89.00949      22.1   
1 1 1 7  45 3  o 8.634000       0.9419000     333.3319      81.7   
1 1 1 7  45 4  o 1.667000       0.8586000     222.0078      78.9   
1 1 1 7  45 5  o -0.6702000     0.7859000     87.41061      -126.3 
1 1 1 7  45 6  o 1.180000       0.8671000     126.9176      -48.8  
1 1 1 7  45 7  o 5.975000       1.028000      213.4252      75.3   
1 1 1 7  45 8  o 0.2799000      0.8490000     86.52306      85.1   
1 1 1 7  45 9  o 5.183000       0.7539000     194.6563      162.3  
1 1 1 7  45 10 o 3.641000       0.6614000     199.0637      116.8  
1 1 1 7  45 11 o -0.4453000     0.8160000     81.99322      -17.1  
1 1 1 7  45 12 o 0.2974000      1.099000      82.36464      -23.6  
1 1 1 7  45 13 o 0.2028000      1.565000      205.3410      42.9   
1 1 1 7  45 14 o 5.084000       1.232000      255.6976      170.8  
1 1 1 7  45 15 o 0.2765000      1.189000      79.23122      -150.8 
1 1 1 7  45 16 o 5.649000       1.543000      240.4800      25.9   
1 1 1 7  45 17 o -1.556000      1.294000      202.3602      46.7   
1 1 1 7  45 18 o 0.7899000E-01  1.222000      94.30610      -138.7 
1 1 1 7  45 19 o 6.906000       1.280000      146.6974      -49.9  
1 1 1 7  45 20 o 2.967000       1.264000      129.4881      18.1   
1 1 1 7  45 21 o -0.3120000     1.249000      62.45020      129.4  
1 1 1 7  45 22 o 1.710000       1.647000      146.0803      104.6  
1 1 1 7  45 23 o 1.549000       1.693000      57.95228      75.3   
1 1 1 7  45 24 o -0.2388000E-01 1.773000      44.99289      178.0  
1 1 1 7  45 25 o 6.982000       1.895000      214.3647      150.2  
1 1 1 7  45 26 o 0.5387000      1.871000      133.2273      55.5   
1 1 1 7  45 27 o 2.450000       2.308000      168.2223      -100.3 
1 1 1 7  45 28 o 3.770000       3.793000      173.4395      -123.6 
1 1 1 7  45 29 o -0.2424000     2.482000      22.05412      58.7   
1 1 1 7  45 30 o 0.5320000      1.492000      45.02568      157.8  
1 1 1 7  45 31 o 2.527000       1.495000      139.6774      34.6   
1 1 1 7  45 32 o 2.592000       1.522000      107.4428      -146.8 
1 1 1 7  45 33 o 2.817000       1.537000      112.3819      -65.3  
1 1 1 7  45 34 o 1.202000       1.557000      ?             ?      
1 1 1 7  45 35 o 4.121000       1.045000      ?             ?      
1 1 1 7  45 36 o 2.390000       1.031000      ?             ?      
1 1 1 7  45 37 o -0.4157000     1.012000      ?             ?      
1 1 1 7  45 38 o -0.9353000     0.9641000     ?             ?      
1 1 1 7  45 39 o 0.2199000      0.9986000     ?             ?      
1 1 1 7  45 40 o 2.977000       1.193000      ?             ?      
1 1 1 7  45 41 o 0.7695000      0.6911000     ?             ?      
1 1 1 7  45 42 o 0.5311000      0.7633000     ?             ?      
1 1 1 7  45 43 o 0.6532000      0.8212000     ?             ?      
1 1 1 7  45 44 o -0.9751000     0.7789000     ?             ?      
1 1 1 7  45 45 o 0.4888000      0.7818000     ?             ?      
1 1 1 7  45 46 o 2.931000       1.057000      ?             ?      
1 1 1 7  45 47 o 1.310000       1.169000      ?             ?      
1 1 1 7  45 48 o -0.9685000     1.039000      ?             ?      
1 1 1 7  45 49 o 1.999000       0.9231000     ?             ?      
1 1 1 7  45 50 o -2.319000      0.9435000     ?             ?      
1 1 1 7  45 51 o 1.540000       0.9833000     ?             ?      
1 1 1 7  45 52 o 1.316000       1.052000      ?             ?      
1 1 1 7  45 53 o -1.706000      1.016000      ?             ?      
1 1 1 7  45 54 o 1.134000       1.051000      ?             ?      
1 1 1 7  45 55 o -0.1060000     1.057000      ?             ?      
1 1 1 7  45 56 o -0.3404000     1.116000      ?             ?      
1 1 1 7  46 0  o 10.31000       1.276000      313.7621      90.0   
1 1 1 7  46 1  o 4.730000       0.8394000     283.4623      163.8  
1 1 1 7  46 2  o 1.460000       0.8125000     227.5328      116.0  
1 1 1 7  46 3  o 1.272000       0.9119000     193.6918      144.9  
1 1 1 7  46 4  o 1.463000       0.9474000     113.5827      -143.2 
1 1 1 7  46 5  o 5.901000       0.8416000     231.5805      136.3  
1 1 1 7  46 6  o 8.072000       0.8396000     351.2564      142.1  
1 1 1 7  46 7  o 4.757000       1.047000      159.8028      -89.7  
1 1 1 7  46 8  o 1.410000       0.9662000     110.6405      150.8  
1 1 1 7  46 9  o 1.573000       0.7281000     186.2569      26.3   
1 1 1 7  46 10 o -0.3893000     0.7989000     171.8967      119.4  
1 1 1 7  46 11 o -1.150000      0.8072000     45.53877      -37.4  
1 1 1 7  46 12 o 1.271000       1.168000      210.0023      87.5   
1 1 1 7  46 13 o 19.43000       2.144000      508.4586      -146.5 
1 1 1 7  46 14 o -0.7578000     1.567000      195.4024      134.2  
1 1 1 7  46 15 o 5.413000       1.277000      195.6778      -70.7  
1 1 1 7  46 16 o 3.951000       1.286000      159.6947      164.1  
1 1 1 7  46 17 o 5.948000       1.305000      305.9126      16.5   
1 1 1 7  46 18 o 2.940000       1.293000      79.85137      122.8  
1 1 1 7  46 19 o 3.941000       1.307000      333.8200      117.4  
1 1 1 7  46 20 o 3.180000       1.706000      199.6115      -149.3 
1 1 1 7  46 21 o 5.996000       1.764000      222.7655      -148.0 
1 1 1 7  46 22 o 3.066000       1.780000      157.6336      -21.7  
1 1 1 7  46 23 o 0.8886000      1.796000      117.9944      122.9  
1 1 1 7  46 24 o 7.276000       1.900000      354.1372      3.6    
1 1 1 7  46 25 o 8.737000       1.958000      354.2085      154.4  
1 1 1 7  46 26 o 5.043000       2.364000      292.1623      26.0   
1 1 1 7  46 27 o -4.996000      3.845000      64.15126      32.9   
1 1 1 7  46 28 o 5.178000       4.068000      165.5901      118.1  
1 1 1 7  46 29 o 6.477000       2.463000      53.30107      -170.6 
1 1 1 7  46 30 o 1.040000       1.949000      100.4822      -52.3  
1 1 1 7  46 31 o 3.789000       1.987000      225.8381      -135.7 
1 1 1 7  46 32 o 1.583000       1.982000      ?             ?      
1 1 1 7  46 33 o 4.074000       1.545000      ?             ?      
1 1 1 7  46 34 o 8.339000       1.592000      ?             ?      
1 1 1 7  46 35 o 4.353000       1.546000      ?             ?      
1 1 1 7  46 36 o 0.1688000      1.506000      ?             ?      
1 1 1 7  46 37 o 2.769000       1.013000      ?             ?      
1 1 1 7  46 38 o 3.751000       1.019000      ?             ?      
1 1 1 7  46 39 o 1.319000       0.9577000     ?             ?      
1 1 1 7  46 40 o 0.6000000      0.9700000     ?             ?      
1 1 1 7  46 41 o 0.9173000      0.9818000     ?             ?      
1 1 1 7  46 42 o -3.782000      2.147000      ?             ?      
1 1 1 7  46 43 o -0.4585000     0.7534000     ?             ?      
1 1 1 7  46 44 o 2.632000       0.7572000     ?             ?      
1 1 1 7  46 45 o 1.186000       0.7166000     ?             ?      
1 1 1 7  46 46 o 0.4647000      0.7456000     ?             ?      
1 1 1 7  46 47 o 0.3899000      0.8930000     ?             ?      
1 1 1 7  46 48 o 0.8587000      1.174000      ?             ?      
1 1 1 7  46 49 o 0.3612000      1.017000      ?             ?      
1 1 1 7  46 50 o 2.411000       0.9281000     ?             ?      
1 1 1 7  46 51 o -1.206000      0.9897000     ?             ?      
1 1 1 7  46 52 o 0.1605000      1.031000      ?             ?      
1 1 1 7  46 53 o 1.762000       1.063000      ?             ?      
1 1 1 7  46 54 o 2.000000       1.040000      ?             ?      
1 1 1 7  46 55 o 0.6226000      1.053000      ?             ?      
1 1 1 7  47 0  o 11.61000       1.318000      485.9787      -90.0  
1 1 1 7  47 1  o 6.032000       0.8761000     281.2487      143.7  
1 1 1 7  47 2  o 0.1483000      0.8370000     86.74611      15.4   
1 1 1 7  47 3  o -0.3917000     0.9440000     122.8566      -171.5 
1 1 1 7  47 4  o 5.663000       1.019000      343.1887      -89.8  
1 1 1 7  47 5  o 6.024000       0.9289000     314.0705      -114.1 
1 1 1 7  47 6  o 2.649000       0.8138000     214.7165      -103.9 
1 1 1 7  47 7  o 1.268000       1.126000      153.2914      -172.5 
1 1 1 7  47 8  o 0.4149000      1.157000      63.15670      62.9   
1 1 1 7  47 9  o 15.15000       1.107000      471.0001      158.1  
1 1 1 7  47 10 o -0.7731000     1.602000      112.3564      150.4  
1 1 1 7  47 11 o 3.003000       1.264000      363.1339      -86.1  
1 1 1 7  47 12 o 3.125000       1.118000      231.6573      64.1   
1 1 1 7  47 13 o -0.7823000     1.236000      151.1376      -149.4 
1 1 1 7  47 14 o 4.607000       1.259000      183.4674      -59.7  
1 1 1 7  47 15 o 7.671000       1.323000      374.4913      45.2   
1 1 1 7  47 16 o 3.942000       1.305000      217.7562      53.1   
1 1 1 7  47 17 o 7.440000       1.348000      406.1986      -140.2 
1 1 1 7  47 18 o 5.608000       1.346000      271.9549      -101.9 
1 1 1 7  47 19 o 4.357000       1.343000      131.9895      -39.4  
1 1 1 7  47 20 o 5.751000       1.796000      277.6601      42.8   
1 1 1 7  47 21 o 3.298000       2.502000      159.0880      157.5  
1 1 1 7  47 22 o 4.589000       1.848000      269.8487      159.0  
1 1 1 7  47 23 o 2.344000       1.853000      144.1574      100.3  
1 1 1 7  47 24 o -0.1388000     1.873000      46.98120      153.9  
1 1 1 7  47 25 o 5.099000       1.930000      373.8040      130.8  
1 1 1 7  47 26 o 2.578000       2.362000      280.2873      -149.3 
1 1 1 7  47 27 o 20.25000       4.377000      397.1238      95.7   
1 1 1 7  47 28 o 0.1615000      2.418000      160.1012      72.5   
1 1 1 7  47 29 o -1.878000      1.964000      181.6834      -109.5 
1 1 1 7  47 30 o 5.313000       1.987000      ?             ?      
1 1 1 7  47 31 o 2.302000       2.010000      ?             ?      
1 1 1 7  47 32 o -0.3787000     1.979000      ?             ?      
1 1 1 7  47 33 o -1.660000      1.974000      ?             ?      
1 1 1 7  47 34 o 1.651000       2.849000      ?             ?      
1 1 1 7  47 35 o 3.116000       1.516000      ?             ?      
1 1 1 7  47 36 o 2.046000       1.496000      ?             ?      
1 1 1 7  47 37 o 0.6829000      1.514000      ?             ?      
1 1 1 7  47 38 o 1.374000       0.9585000     ?             ?      
1 1 1 7  47 39 o 0.7583000      0.9889000     ?             ?      
1 1 1 7  47 40 o 0.9887000      0.9881000     ?             ?      
1 1 1 7  47 41 o 0.5802000      1.013000      ?             ?      
1 1 1 7  47 42 o 0.6151000      1.932000      ?             ?      
1 1 1 7  47 43 o -1.119000      2.413000      ?             ?      
1 1 1 7  47 44 o -0.6317000     0.6640000     ?             ?      
1 1 1 7  47 45 o -0.4247000     0.7269000     ?             ?      
1 1 1 7  47 46 o 0.6582000      0.6872000     ?             ?      
1 1 1 7  47 47 o 0.3286000      0.7288000     ?             ?      
1 1 1 7  47 48 o 0.9057000      0.7710000     ?             ?      
1 1 1 7  47 49 o -0.9888000     1.050000      ?             ?      
1 1 1 7  47 50 o 1.317000       1.264000      ?             ?      
1 1 1 7  47 51 o -0.8186000     0.9571000     ?             ?      
1 1 1 7  47 52 o 0.1021000      0.9878000     ?             ?      
1 1 1 7  47 53 o 1.629000       1.031000      ?             ?      
1 1 1 7  47 54 o 2.145000       1.072000      ?             ?      
1 1 1 7  48 0  o 9.237000       1.291000      408.0659      90.0   
1 1 1 7  48 1  o 7.082000       0.8950000     286.5595      -146.4 
1 1 1 7  48 2  o 8.674000       0.9279000     447.7428      -86.8  
1 1 1 7  48 3  o 8.762000       1.050000      392.9567      -53.2  
1 1 1 7  48 4  o 7.350000       1.068000      221.9088      1.2    
1 1 1 7  48 5  o 3.089000       0.9381000     166.4264      137.0  
1 1 1 7  48 6  o 4.290000       0.8709000     360.8813      79.3   
1 1 1 7  48 7  o 4.649000       1.397000      243.3402      -136.6 
1 1 1 7  48 8  o 0.9312000      1.226000      203.2265      94.3   
1 1 1 7  48 9  o 1.708000       0.8675000     200.3780      -104.2 
1 1 1 7  48 10 o 15.70000       1.432000      487.0988      136.6  
1 1 1 7  48 11 o 1.657000       0.8757000     294.2440      -178.2 
1 1 1 7  48 12 o 0.6466000      0.8992000     190.2242      -89.4  
1 1 1 7  48 13 o 6.297000       1.289000      396.3334      -150.2 
1 1 1 7  48 14 o 15.28000       1.498000      408.0053      62.4   
1 1 1 7  48 15 o 2.425000       1.292000      153.7283      -39.9  
1 1 1 7  48 16 o 3.486000       1.300000      192.2154      -118.4 
1 1 1 7  48 17 o 4.351000       1.316000      263.3842      30.9   
1 1 1 7  48 18 o 14.17000       1.499000      407.2769      -162.8 
1 1 1 7  48 19 o 0.3494000E-01  1.764000      75.35932      -106.4 
1 1 1 7  48 20 o 5.369000       1.818000      370.2577      -109.5 
1 1 1 7  48 21 o 2.517000       1.809000      106.3463      -69.0  
1 1 1 7  48 22 o 1.981000       1.859000      140.5470      -147.7 
1 1 1 7  48 23 o -1.582000      1.852000      164.1988      152.1  
1 1 1 7  48 24 o 4.185000       1.870000      247.3929      -33.1  
1 1 1 7  48 25 o 7.001000       2.369000      357.8239      -135.3 
1 1 1 7  48 26 o 0.6411000      3.843000      241.0155      128.7  
1 1 1 7  48 27 o 9.080000       4.145000      260.7235      -97.2  
1 1 1 7  48 28 o 1.510000       2.469000      ?             ?      
1 1 1 7  48 29 o 2.676000       1.966000      ?             ?      
1 1 1 7  48 30 o 9.845000       2.077000      ?             ?      
1 1 1 7  48 31 o 1.694000       1.980000      ?             ?      
1 1 1 7  48 32 o -1.180000      1.940000      ?             ?      
1 1 1 7  48 33 o 4.782000       1.971000      ?             ?      
1 1 1 7  48 34 o 1.010000       1.915000      ?             ?      
1 1 1 7  48 35 o 7.269000       1.993000      ?             ?      
1 1 1 7  48 36 o 0.3153000      1.472000      ?             ?      
1 1 1 7  48 37 o 4.783000       1.526000      ?             ?      
1 1 1 7  48 38 o 2.094000       1.535000      ?             ?      
1 1 1 7  48 39 o 2.224000       1.547000      ?             ?      
1 1 1 7  48 40 o 0.2471000      0.9737000     ?             ?      
1 1 1 7  48 41 o 0.1408000      1.066000      ?             ?      
1 1 1 7  48 42 o 3.300000       1.047000      ?             ?      
1 1 1 7  48 43 o 0.9425000      1.043000      ?             ?      
1 1 1 7  48 44 o 1.838000       1.593000      ?             ?      
1 1 1 7  48 45 o -2.536000      2.000000      ?             ?      
1 1 1 7  48 46 o 0.6978000      0.6788000     ?             ?      
1 1 1 7  48 47 o -0.8043000E-01 0.7226000     ?             ?      
1 1 1 7  48 48 o 0.3323000      0.7312000     ?             ?      
1 1 1 7  48 49 o 1.400000       0.7840000     ?             ?      
1 1 1 7  48 50 o -0.2511000     0.9353000     ?             ?      
1 1 1 7  48 51 o 0.3810000      1.316000      ?             ?      
1 1 1 7  48 52 o -0.5687000     1.114000      ?             ?      
1 1 1 7  48 53 o -0.3359000     1.330000      ?             ?      
1 1 1 7  49 0  o 0.5560000      1.248000      76.81316      90.0   
1 1 1 7  49 1  o 0.3255000      0.9360000     170.8870      72.1   
1 1 1 7  49 2  o 2.925000       0.9779000     308.6293      7.4    
1 1 1 7  49 3  o -0.8890000     0.9659000     22.12793      35.7   
1 1 1 7  49 4  o 2.596000       1.251000      342.0640      -107.4 
1 1 1 7  49 5  o 2.705000       1.265000      306.7777      -134.7 
1 1 1 7  49 6  o 3.474000       0.8546000     292.1492      36.8   
1 1 1 7  49 7  o 3.898000       0.9573000     177.3586      -151.6 
1 1 1 7  49 8  o 6.067000       1.035000      309.7119      -25.8  
1 1 1 7  49 9  o 3.382000       0.9448000     337.8371      -115.1 
1 1 1 7  49 10 o -0.8930000     0.7016000     142.7598      -27.8  
1 1 1 7  49 11 o 1.712000       0.8858000     256.8116      -152.1 
1 1 1 7  49 12 o 20.33000       1.754000      534.3115      9.9    
1 1 1 7  49 13 o 3.749000       1.289000      106.9514      -168.9 
1 1 1 7  49 14 o 1.290000       1.273000      223.7427      56.9   
1 1 1 7  49 15 o 0.5930000      1.295000      123.6540      147.0  
1 1 1 7  49 16 o 2.204000       1.300000      196.5418      -53.5  
1 1 1 7  49 17 o 16.62000       1.471000      479.0967      -59.5  
1 1 1 7  49 18 o -0.5466000     1.321000      162.9611      94.7   
1 1 1 7  49 19 o 9.555000       1.849000      387.9123      28.1   
1 1 1 7  49 20 o 7.243000       1.826000      327.8982      -6.0   
1 1 1 7  49 21 o 6.873000       1.872000      343.0737      -84.8  
1 1 1 7  49 22 o 1.818000       1.842000      210.8789      49.5   
1 1 1 7  49 23 o 6.540000       1.878000      365.1024      46.5   
1 1 1 7  49 24 o 6.854000       1.924000      353.0127      -92.6  
1 1 1 7  49 25 o 8.806000       2.407000      ?             ?      
1 1 1 7  49 26 o 15.65000       3.131000      ?             ?      
1 1 1 7  49 27 o -0.7928000     2.507000      ?             ?      
1 1 1 7  49 28 o 6.874000       1.984000      ?             ?      
1 1 1 7  49 29 o 6.653000       1.966000      ?             ?      
1 1 1 7  49 30 o 2.962000       1.933000      ?             ?      
1 1 1 7  49 31 o 1.637000       1.949000      ?             ?      
1 1 1 7  49 32 o -1.195000      1.940000      ?             ?      
1 1 1 7  49 33 o 8.184000       1.997000      ?             ?      
1 1 1 7  49 34 o -0.8710000     1.889000      ?             ?      
1 1 1 7  49 35 o -0.1195000     1.892000      ?             ?      
1 1 1 7  49 36 o 5.957000       1.944000      ?             ?      
1 1 1 7  49 37 o 1.508000       1.940000      ?             ?      
1 1 1 7  49 38 o -1.701000      1.943000      ?             ?      
1 1 1 7  49 39 o -2.380000      1.923000      ?             ?      
1 1 1 7  49 40 o 1.320000       2.088000      ?             ?      
1 1 1 7  49 41 o -0.2545000     1.035000      ?             ?      
1 1 1 7  49 42 o 2.690000       1.081000      ?             ?      
1 1 1 7  49 43 o 0.6012000E-01  0.9697000     ?             ?      
1 1 1 7  49 44 o 0.8451000      0.9362000     ?             ?      
1 1 1 7  49 45 o -0.7619000E-02 0.9684000     ?             ?      
1 1 1 7  49 46 o 2.076000       2.038000      ?             ?      
1 1 1 7  49 47 o 0.6975000      2.695000      ?             ?      
1 1 1 7  49 48 o -0.8030000E-01 0.7037000     ?             ?      
1 1 1 7  49 49 o -0.9162000     0.7173000     ?             ?      
1 1 1 7  49 50 o 0.5368000      0.7738000     ?             ?      
1 1 1 7  49 51 o -0.6151000     0.9311000     ?             ?      
1 1 1 7  49 52 o -0.8653000     1.895000      ?             ?      
1 1 1 7  50 0  o -1.247000      1.466000      103.9419      -90.0  
1 1 1 7  50 1  o 5.427000       1.392000      328.6035      -118.2 
1 1 1 7  50 2  o 14.35000       1.632000      549.8958      16.9   
1 1 1 7  50 3  o 3.199000       0.9583000     261.4777      10.7   
1 1 1 7  50 4  o -0.1493000     1.114000      93.16003      65.8   
1 1 1 7  50 5  o 1.455000       1.216000      11.50923      -105.0 
1 1 1 7  50 6  o 1.252000       0.8469000     70.90266      105.7  
1 1 1 7  50 7  o 8.260000       0.8673000     410.9782      112.8  
1 1 1 7  50 8  o 4.014000       1.020000      277.0128      155.3  
1 1 1 7  50 9  o 1.451000       0.9234000     277.5610      125.4  
1 1 1 7  50 10 o 0.5853000      0.6683000     65.77347      24.5   
1 1 1 7  50 11 o 7.128000       0.9454000     383.8572      -118.8 
1 1 1 7  50 12 o 6.641000       1.353000      353.6678      -125.7 
1 1 1 7  50 13 o -0.5507000     1.291000      175.3419      93.5   
1 1 1 7  50 14 o 16.20000       1.557000      464.6148      -26.1  
1 1 1 7  50 15 o 6.685000       1.459000      445.3195      -161.4 
1 1 1 7  50 16 o 6.718000       1.375000      436.0185      -175.5 
1 1 1 7  50 17 o -0.1277000     1.343000      259.6068      156.2  
1 1 1 7  50 18 o 0.6922000      1.738000      143.7320      152.2  
1 1 1 7  50 19 o 3.835000       1.806000      383.3186      78.4   
1 1 1 7  50 20 o 5.707000       1.856000      257.8164      121.2  
1 1 1 7  50 21 o 7.296000       1.857000      367.0829      -86.1  
1 1 1 7  50 22 o 1.397000       1.824000      ?             ?      
1 1 1 7  50 23 o -1.294000      1.846000      ?             ?      
1 1 1 7  50 24 o 8.965000       2.344000      ?             ?      
1 1 1 7  50 25 o 6.618000       3.763000      ?             ?      
1 1 1 7  50 26 o 8.430000       4.155000      ?             ?      
1 1 1 7  50 27 o -0.3199000     2.426000      ?             ?      
1 1 1 7  50 28 o 1.505000       1.926000      ?             ?      
1 1 1 7  50 29 o 1.422000       1.905000      ?             ?      
1 1 1 7  50 30 o 0.5068000      1.895000      ?             ?      
1 1 1 7  50 31 o 3.008000       1.894000      ?             ?      
1 1 1 7  50 32 o -2.234000      1.869000      ?             ?      
1 1 1 7  50 33 o 0.7676000E-01  1.888000      ?             ?      
1 1 1 7  50 34 o -0.1061000E-01 1.890000      ?             ?      
1 1 1 7  50 35 o 2.467000       1.899000      ?             ?      
1 1 1 7  50 36 o -1.830000      1.905000      ?             ?      
1 1 1 7  50 37 o 2.763000       1.925000      ?             ?      
1 1 1 7  50 38 o 0.9886000      1.933000      ?             ?      
1 1 1 7  50 39 o 3.261000       2.398000      ?             ?      
1 1 1 7  50 40 o 0.5810000      2.651000      ?             ?      
1 1 1 7  50 41 o 2.050000       4.339000      ?             ?      
1 1 1 7  50 42 o 0.3980000      2.196000      ?             ?      
1 1 1 7  50 43 o -0.5279000     0.9482000     ?             ?      
1 1 1 7  50 44 o -0.1183000     0.9910000     ?             ?      
1 1 1 7  50 45 o -0.6612000E-01 1.028000      ?             ?      
1 1 1 7  50 46 o -0.1982000E-01 1.108000      ?             ?      
1 1 1 7  50 47 o 0.8440000      1.029000      ?             ?      
1 1 1 7  50 48 o 1.968000       2.734000      ?             ?      
1 1 1 7  50 49 o 0.8700000      1.462000      ?             ?      
1 1 1 7  50 50 o 0.1206000      1.008000      ?             ?      
1 1 1 7  50 51 o 0.4842000      1.205000      ?             ?      
1 1 1 7  51 0  o 10.28000       1.462000      490.8690      90.0   
1 1 1 7  51 1  o 7.577000       1.694000      497.0443      178.6  
1 1 1 7  51 2  o 2.735000       1.558000      280.2951      -63.5  
1 1 1 7  51 3  o 11.74000       1.127000      472.5263      179.6  
1 1 1 7  51 4  o 9.109000       1.210000      460.3951      -62.6  
1 1 1 7  51 5  o 6.776000       1.228000      282.4117      -40.4  
1 1 1 7  51 6  o 7.126000       0.9187000     329.5180      -158.1 
1 1 1 7  51 7  o 9.323000       0.9091000     461.4687      -108.6 
1 1 1 7  51 8  o 0.9757000E-01  1.092000      50.98969      61.3   
1 1 1 7  51 9  o 1.174000       1.048000      29.02204      -35.8  
1 1 1 7  51 10 o 6.167000       0.6998000     352.1635      53.9   
1 1 1 7  51 11 o 0.3549000E-01  0.8951000     132.8893      64.4   
1 1 1 7  51 12 o 8.518000       1.470000      494.2989      49.3   
1 1 1 7  51 13 o 0.9625000      1.310000      99.64364      -67.3  
1 1 1 7  51 14 o 6.754000       1.374000      316.6109      -82.4  
1 1 1 7  51 15 o 3.382000       1.343000      273.5329      -74.6  
1 1 1 7  51 16 o 3.385000       1.367000      338.2370      -61.9  
1 1 1 7  51 17 o 1.525000       1.745000      168.1049      -92.4  
1 1 1 7  51 18 o 1.817000       1.760000      208.8769      130.2  
1 1 1 7  51 19 o 8.602000       1.861000      ?             ?      
1 1 1 7  51 20 o 2.504000       1.830000      ?             ?      
1 1 1 7  51 21 o 12.46000       1.969000      ?             ?      
1 1 1 7  51 22 o 4.230000       1.870000      ?             ?      
1 1 1 7  51 23 o 10.80000       2.839000      ?             ?      
1 1 1 7  51 24 o 1.376000       2.247000      ?             ?      
1 1 1 7  51 25 o 0.7532000      2.707000      ?             ?      
1 1 1 7  51 26 o 0.7259000      2.417000      ?             ?      
1 1 1 7  51 27 o 7.847000       1.973000      ?             ?      
1 1 1 7  51 28 o 2.522000       1.896000      ?             ?      
1 1 1 7  51 29 o 1.566000       1.881000      ?             ?      
1 1 1 7  51 30 o 4.648000       1.910000      ?             ?      
1 1 1 7  51 31 o 4.607000       1.907000      ?             ?      
1 1 1 7  51 32 o 0.4026000      1.873000      ?             ?      
1 1 1 7  51 33 o 8.240000       1.981000      ?             ?      
1 1 1 7  51 34 o 5.646000       1.950000      ?             ?      
1 1 1 7  51 35 o 3.573000       1.914000      ?             ?      
1 1 1 7  51 36 o -1.733000      1.911000      ?             ?      
1 1 1 7  51 37 o 2.924000       1.912000      ?             ?      
1 1 1 7  51 38 o 2.093000       1.942000      ?             ?      
1 1 1 7  51 39 o 3.166000       2.408000      ?             ?      
1 1 1 7  51 40 o -4.346000      3.988000      ?             ?      
1 1 1 7  51 41 o -2.647000      2.533000      ?             ?      
1 1 1 7  51 42 o 1.588000       1.989000      ?             ?      
1 1 1 7  51 43 o -0.4810000     2.236000      ?             ?      
1 1 1 7  51 44 o 1.882000       1.179000      ?             ?      
1 1 1 7  51 45 o 0.3523000      1.140000      ?             ?      
1 1 1 7  51 46 o 2.679000       1.909000      ?             ?      
1 1 1 7  51 47 o -0.1845000     1.012000      ?             ?      
1 1 1 7  51 48 o 3.112000       1.096000      ?             ?      
1 1 1 7  51 49 o 6.909000       2.651000      ?             ?      
1 1 1 7  52 0  o 26.09000       1.711000      766.6320      -90.0  
1 1 1 7  52 1  o 1.634000       1.074000      264.7811      109.7  
1 1 1 7  52 2  o 13.32000       1.134000      457.7982      -28.6  
1 1 1 7  52 3  o 3.147000       0.9939000     238.8502      27.0   
1 1 1 7  52 4  o 4.647000       1.122000      432.5369      -91.8  
1 1 1 7  52 5  o -0.3660000     1.311000      185.4988      -74.2  
1 1 1 7  52 6  o 7.216000       0.9531000     313.7490      74.2   
1 1 1 7  52 7  o -1.102000      0.8379000     158.3340      -118.7 
1 1 1 7  52 8  o 6.157000       1.134000      503.7696      -129.9 
1 1 1 7  52 9  f 4.395000       0.9975000     323.6631      -115.7 
1 1 1 7  52 10 o 5.072000       0.6910000     425.1987      -128.5 
1 1 1 7  52 11 o 3.219000       0.8433000     253.4184      145.5  
1 1 1 7  52 12 o 0.6824000E-01  1.324000      243.8731      -140.4 
1 1 1 7  52 13 o 1.248000       1.313000      197.8118      124.8  
1 1 1 7  52 14 o 1.674000       1.300000      132.4920      -9.3   
1 1 1 7  52 15 o 4.058000       1.332000      ?             ?      
1 1 1 7  52 16 o 4.613000       1.368000      ?             ?      
1 1 1 7  52 17 o 6.783000       1.823000      ?             ?      
1 1 1 7  52 18 f 4.582000       1.802000      ?             ?      
1 1 1 7  52 19 o 14.63000       1.939000      ?             ?      
1 1 1 7  52 20 o 3.468000       1.802000      ?             ?      
1 1 1 7  52 21 o 0.1052000      1.796000      ?             ?      
1 1 1 7  52 22 o 4.664000       1.842000      ?             ?      
1 1 1 7  52 23 o 5.795000       2.221000      ?             ?      
1 1 1 7  52 24 o 3.904000       3.583000      ?             ?      
1 1 1 7  52 25 o 9.976000       4.179000      ?             ?      
1 1 1 7  52 26 o -3.671000      2.366000      ?             ?      
1 1 1 7  52 27 o 1.285000       1.816000      ?             ?      
1 1 1 7  52 28 o 2.876000       1.857000      ?             ?      
1 1 1 7  52 29 o 8.893000       1.933000      ?             ?      
1 1 1 7  52 30 o -3.634000      1.866000      ?             ?      
1 1 1 7  52 31 o -0.5977000     1.868000      ?             ?      
1 1 1 7  52 32 o 2.945000       1.911000      ?             ?      
1 1 1 7  52 33 o -0.6191000     1.866000      ?             ?      
1 1 1 7  52 34 o 0.4006000      1.867000      ?             ?      
1 1 1 7  52 35 o 3.409000       1.923000      ?             ?      
1 1 1 7  52 36 o 2.444000       1.941000      ?             ?      
1 1 1 7  52 37 o -0.8413000     1.916000      ?             ?      
1 1 1 7  52 38 o 4.526000       2.432000      ?             ?      
1 1 1 7  52 39 o -2.019000      2.645000      ?             ?      
1 1 1 7  52 40 o -5.415000      4.239000      ?             ?      
1 1 1 7  52 41 o -1.789000      2.510000      ?             ?      
1 1 1 7  52 42 o -0.2156000     2.446000      ?             ?      
1 1 1 7  52 43 o 1.751000       2.511000      ?             ?      
1 1 1 7  52 44 o 2.505000       2.479000      ?             ?      
1 1 1 7  52 45 o -0.4090000     2.135000      ?             ?      
1 1 1 7  52 46 o 0.2374000      1.023000      ?             ?      
1 1 1 7  52 47 o 1.275000       1.078000      ?             ?      
1 1 1 7  52 48 o -0.3898000     2.079000      ?             ?      
1 1 1 7  53 0  o -0.5058000E-02 1.362000      199.2214      -90.0  
1 1 1 7  53 1  o 10.25000       1.032000      454.4755      171.8  
1 1 1 7  53 2  o 11.34000       1.038000      534.2487      -113.0 
1 1 1 7  53 3  o -0.3983000     0.9479000     13.26596      -78.8  
1 1 1 7  53 4  o 11.47000       1.135000      565.1611      -39.4  
1 1 1 7  53 5  o 2.545000       1.226000      56.71127      -2.8   
1 1 1 7  53 6  o 9.654000       1.049000      474.9802      -40.6  
1 1 1 7  53 7  o 18.87000       1.103000      673.4146      7.2    
1 1 1 7  53 8  f 1.751000       1.076000      315.9913      -5.2   
1 1 1 7  53 9  o 1.560000       1.020000      ?             ?      
1 1 1 7  53 10 o 2.103000       0.6562000     ?             ?      
1 1 1 7  53 11 o 1.602000       0.9996000     ?             ?      
1 1 1 7  53 12 o 0.3783000      1.292000      ?             ?      
1 1 1 7  53 13 o 2.965000       1.314000      ?             ?      
1 1 1 7  53 14 o -0.3311000     1.289000      ?             ?      
1 1 1 7  53 15 o 2.176000       1.305000      ?             ?      
1 1 1 7  53 16 o 12.87000       1.445000      ?             ?      
1 1 1 7  53 17 o 2.081000       1.723000      ?             ?      
1 1 1 7  53 18 o 7.508000       1.797000      ?             ?      
1 1 1 7  53 19 o 3.509000       1.733000      ?             ?      
1 1 1 7  53 20 o 1.612000       1.749000      ?             ?      
1 1 1 7  53 21 o 7.066000       1.804000      ?             ?      
1 1 1 7  53 22 o 5.790000       1.804000      ?             ?      
1 1 1 7  53 23 o -3.037000      2.072000      ?             ?      
1 1 1 7  53 24 o -6.353000      2.594000      ?             ?      
1 1 1 7  53 25 o 3.091000       2.580000      ?             ?      
1 1 1 7  53 26 o 2.366000       1.807000      ?             ?      
1 1 1 7  53 27 o -0.5014000     1.811000      ?             ?      
1 1 1 7  53 28 o -1.356000      1.828000      ?             ?      
1 1 1 7  53 29 o -0.8460000     1.864000      ?             ?      
1 1 1 7  53 30 o -0.2244000     1.873000      ?             ?      
1 1 1 7  53 31 o 7.065000       1.913000      ?             ?      
1 1 1 7  53 32 o -1.038000      1.861000      ?             ?      
1 1 1 7  53 33 o -1.434000      1.846000      ?             ?      
1 1 1 7  53 34 o 1.608000       1.887000      ?             ?      
1 1 1 7  53 35 o -0.1832000     1.956000      ?             ?      
1 1 1 7  53 36 o -1.072000      1.924000      ?             ?      
1 1 1 7  53 37 o 3.106000       1.995000      ?             ?      
1 1 1 7  53 38 o 1.136000       2.359000      ?             ?      
1 1 1 7  53 39 o -2.750000      4.043000      ?             ?      
1 1 1 7  53 40 o -0.3985000     2.668000      ?             ?      
1 1 1 7  53 41 o -3.015000      2.413000      ?             ?      
1 1 1 7  53 42 o 6.036000       2.542000      ?             ?      
1 1 1 7  53 43 o 0.5792000      3.948000      ?             ?      
1 1 1 7  53 44 o -0.1882000     2.394000      ?             ?      
1 1 1 7  53 45 o 5.558000       2.458000      ?             ?      
1 1 1 7  53 46 o 4.247000       2.466000      ?             ?      
1 1 1 7  54 0  o 15.55000       1.695000      ?             ?      
1 1 1 7  54 1  o 1.408000       0.9685000     ?             ?      
1 1 1 7  54 2  o 4.042000       0.9780000     ?             ?      
1 1 1 7  54 3  o 8.896000       0.9846000     ?             ?      
1 1 1 7  54 4  o 9.721000       1.109000      ?             ?      
1 1 1 7  54 5  o 6.315000       1.226000      ?             ?      
1 1 1 7  54 6  o 2.230000       1.013000      ?             ?      
1 1 1 7  54 7  o -0.3725000     0.8474000     ?             ?      
1 1 1 7  54 8  o 3.641000       1.031000      ?             ?      
1 1 1 7  54 9  o 2.523000       1.013000      ?             ?      
1 1 1 7  54 10 o -0.8119000E-01 0.6732000     ?             ?      
1 1 1 7  54 11 o 0.5860000      0.9712000     ?             ?      
1 1 1 7  54 12 o 9.737000       1.577000      ?             ?      
1 1 1 7  54 13 o -0.3612000     0.9501000     ?             ?      
1 1 1 7  54 14 o 4.424000       1.722000      ?             ?      
1 1 1 7  54 15 o -0.5398000     1.270000      ?             ?      
1 1 1 7  54 16 o 7.506000       1.318000      ?             ?      
1 1 1 7  54 17 o 3.730000       1.969000      ?             ?      
1 1 1 7  54 18 o 2.370000       1.675000      ?             ?      
1 1 1 7  54 19 o 1.585000       1.672000      ?             ?      
1 1 1 7  54 20 o -0.4853000E-01 1.664000      ?             ?      
1 1 1 7  54 21 f 1.491000       1.687000      ?             ?      
1 1 1 7  54 22 o 0.9677000      1.966000      ?             ?      
1 1 1 7  54 23 o 4.539000       3.308000      ?             ?      
1 1 1 7  54 24 o -1.904000      3.908000      ?             ?      
1 1 1 7  54 25 o 7.037000       2.403000      ?             ?      
1 1 1 7  54 26 o 1.829000       1.793000      ?             ?      
1 1 1 7  54 27 o 2.320000       1.820000      ?             ?      
1 1 1 7  54 28 o 1.058000       1.829000      ?             ?      
1 1 1 7  54 29 o -1.688000      1.817000      ?             ?      
1 1 1 7  54 30 o 2.288000       1.844000      ?             ?      
1 1 1 7  54 31 o -0.4992000     1.862000      ?             ?      
1 1 1 7  54 32 o 1.777000       1.874000      ?             ?      
1 1 1 7  54 33 o 1.310000       1.880000      ?             ?      
1 1 1 7  54 34 o -0.1527000     1.883000      ?             ?      
1 1 1 7  54 35 o 2.087000       1.893000      ?             ?      
1 1 1 7  54 36 o 1.938000       1.922000      ?             ?      
1 1 1 7  54 37 o -1.225000      2.269000      ?             ?      
1 1 1 7  54 38 o 2.661000       3.795000      ?             ?      
1 1 1 7  54 40 o -2.555000      2.646000      ?             ?      
1 1 1 7  54 41 o -1.693000      2.358000      ?             ?      
1 1 1 7  54 42 o 3.735000       2.453000      ?             ?      
1 1 1 7  54 43 o 0.9669000      2.417000      ?             ?      
1 1 1 7  54 44 o 4.543000       2.521000      ?             ?      
1 1 1 7  54 45 o 1.725000       2.509000      ?             ?      
1 1 1 7  55 0  o 3.213000       1.308000      ?             ?      
1 1 1 7  55 1  o -0.5394000     0.9167000     ?             ?      
1 1 1 7  55 2  o 11.69000       1.019000      ?             ?      
1 1 1 7  55 3  o 8.374000       0.9546000     ?             ?      
1 1 1 7  55 4  o -0.9690000     0.8967000     ?             ?      
1 1 1 7  55 5  o 2.235000       1.027000      ?             ?      
1 1 1 7  55 6  o 8.857000       1.050000      ?             ?      
1 1 1 7  55 7  o 6.811000       0.8586000     ?             ?      
1 1 1 7  55 8  o -0.5338000     0.8257000     ?             ?      
1 1 1 7  55 9  o 0.9994000      0.9011000     ?             ?      
1 1 1 7  55 10 o 0.3117000      0.7039000     ?             ?      
1 1 1 7  55 11 o 1.017000       0.9942000     ?             ?      
1 1 1 7  55 12 o -1.074000      1.261000      ?             ?      
1 1 1 7  55 13 o 1.873000       1.242000      ?             ?      
1 1 1 7  55 14 o 0.7334000      1.252000      ?             ?      
1 1 1 7  55 15 o 0.2963000      0.7937000     ?             ?      
1 1 1 7  55 16 o 3.393000       2.263000      ?             ?      
1 1 1 7  55 17 o 1.741000       1.954000      ?             ?      
1 1 1 7  55 18 o 0.5120000      1.660000      ?             ?      
1 1 1 7  55 19 o 3.814000       1.938000      ?             ?      
1 1 1 7  55 20 o -0.8800000     1.944000      ?             ?      
1 1 1 7  55 21 o 0.7226000      1.688000      ?             ?      
1 1 1 7  55 22 o -1.406000      2.004000      ?             ?      
1 1 1 7  55 23 o -0.6169000     2.567000      ?             ?      
1 1 1 7  55 24 o 2.408000       2.581000      ?             ?      
1 1 1 7  55 25 o -0.7367000     1.781000      ?             ?      
1 1 1 7  55 26 o 3.667000       1.769000      ?             ?      
1 1 1 7  55 27 o 4.912000       1.828000      ?             ?      
1 1 1 7  55 28 o 0.8060000      1.820000      ?             ?      
1 1 1 7  55 29 o 1.776000       1.822000      ?             ?      
1 1 1 7  55 30 o 1.286000       1.812000      ?             ?      
1 1 1 7  55 31 o -0.2423000     1.821000      ?             ?      
1 1 1 7  55 32 o 1.809000       1.839000      ?             ?      
1 1 1 7  55 33 o 0.3473000      1.858000      ?             ?      
1 1 1 7  55 34 o -1.166000      1.864000      ?             ?      
1 1 1 7  55 35 o 1.846000       2.255000      ?             ?      
1 1 1 7  55 36 o -2.075000      2.214000      ?             ?      
1 1 1 7  55 37 o 0.2586000      2.313000      ?             ?      
1 1 1 7  55 38 o -1.135000      3.788000      ?             ?      
1 1 1 7  55 39 o 0.2055000E-01  2.706000      ?             ?      
1 1 1 7  55 40 o 3.340000       2.360000      ?             ?      
1 1 1 7  55 41 o 2.589000       2.697000      ?             ?      
1 1 1 7  55 42 o 0.5528000      2.391000      ?             ?      
1 1 1 7  55 43 o -1.119000      2.490000      ?             ?      
1 1 1 7  56 0  o 0.2753000      1.244000      ?             ?      
1 1 1 7  56 1  o 5.191000       0.9678000     ?             ?      
1 1 1 7  56 2  o -0.4158000     0.9842000     ?             ?      
1 1 1 7  56 3  o 6.185000       0.9124000     ?             ?      
1 1 1 7  56 4  o 0.3644000      0.8566000     ?             ?      
1 1 1 7  56 5  o 0.9860000      1.053000      ?             ?      
1 1 1 7  56 6  o -1.354000      1.060000      ?             ?      
1 1 1 7  56 7  o 7.215000       0.8290000     ?             ?      
1 1 1 7  56 8  o 1.789000       0.8489000     ?             ?      
1 1 1 7  56 9  o 1.282000       0.8647000     ?             ?      
1 1 1 7  56 10 o 1.053000       0.6923000     ?             ?      
1 1 1 7  56 11 o 2.190000       0.9649000     ?             ?      
1 1 1 7  56 12 o 1.538000       1.242000      ?             ?      
1 1 1 7  56 13 o -0.3116000     1.214000      ?             ?      
1 1 1 7  56 14 o 2.522000       1.240000      ?             ?      
1 1 1 7  56 15 o 1.076000       1.214000      ?             ?      
1 1 1 7  56 16 o -0.7218000     2.043000      ?             ?      
1 1 1 7  56 17 o -0.7507000     2.056000      ?             ?      
1 1 1 7  56 18 o -1.984000      2.165000      ?             ?      
1 1 1 7  56 19 o 2.701000       2.312000      ?             ?      
1 1 1 7  56 20 o -1.212000      2.290000      ?             ?      
1 1 1 7  56 21 o -2.362000      2.023000      ?             ?      
1 1 1 7  56 22 o 3.608000       3.415000      ?             ?      
1 1 1 7  56 23 o -1.059000      3.860000      ?             ?      
1 1 1 7  56 24 o -0.2265000     2.499000      ?             ?      
1 1 1 7  56 25 o -1.238000      2.011000      ?             ?      
1 1 1 7  56 26 o 1.766000       1.793000      ?             ?      
1 1 1 7  56 27 o -1.051000      1.802000      ?             ?      
1 1 1 7  56 28 o -0.8054000     1.821000      ?             ?      
1 1 1 7  56 29 o 1.847000       1.836000      ?             ?      
1 1 1 7  56 30 o 2.197000       1.849000      ?             ?      
1 1 1 7  56 31 o 0.3564000      1.827000      ?             ?      
1 1 1 7  56 32 o -0.2202000     1.872000      ?             ?      
1 1 1 7  56 33 o 3.389000       2.278000      ?             ?      
1 1 1 7  56 34 o 0.5763000      1.913000      ?             ?      
1 1 1 7  56 35 o 0.8771000      2.296000      ?             ?      
1 1 1 7  56 36 o 2.586000       2.373000      ?             ?      
1 1 1 7  56 37 o 3.152000       4.003000      ?             ?      
1 1 1 7  56 39 o 3.247000       2.711000      ?             ?      
1 1 1 7  56 40 o 0.9847000      2.474000      ?             ?      
1 1 1 7  56 41 o -1.476000      2.459000      ?             ?      
1 1 1 7  57 0  o -1.690000      1.202000      ?             ?      
1 1 1 7  57 1  o -0.5058000     0.8521000     ?             ?      
1 1 1 7  57 2  o -2.478000      0.9361000     ?             ?      
1 1 1 7  57 3  o 0.9361000      0.8543000     ?             ?      
1 1 1 7  57 4  o 3.025000       0.8499000     ?             ?      
1 1 1 7  57 5  o 1.459000       1.020000      ?             ?      
1 1 1 7  57 6  o 2.083000       0.9616000     ?             ?      
1 1 1 7  57 7  o 0.2119000      0.7491000     ?             ?      
1 1 1 7  57 8  o 0.3974000      0.7542000     ?             ?      
1 1 1 7  57 9  f 4.400000       1.814000      ?             ?      
1 1 1 7  57 10 o 0.4155000      0.6590000     ?             ?      
1 1 1 7  57 11 o 2.620000       0.9338000     ?             ?      
1 1 1 7  57 12 o 2.300000       1.271000      ?             ?      
1 1 1 7  57 13 o 0.8325000      1.222000      ?             ?      
1 1 1 7  57 14 o 1.179000       1.221000      ?             ?      
1 1 1 7  57 15 o 2.477000       1.601000      ?             ?      
1 1 1 7  57 16 o 4.627000       1.658000      ?             ?      
1 1 1 7  57 17 o 1.900000       1.653000      ?             ?      
1 1 1 7  57 18 o 3.606000       1.697000      ?             ?      
1 1 1 7  57 19 o -0.2046000     2.193000      ?             ?      
1 1 1 7  57 20 o 0.2333000E-02  2.251000      ?             ?      
1 1 1 7  57 21 o -2.827000      2.490000      ?             ?      
1 1 1 7  57 22 o -2.610000      4.001000      ?             ?      
1 1 1 7  57 23 o -1.964000      3.035000      ?             ?      
1 1 1 7  57 24 o 2.156000       2.395000      ?             ?      
1 1 1 7  57 25 o 2.355000       2.156000      ?             ?      
1 1 1 7  57 26 o -2.022000      2.126000      ?             ?      
1 1 1 7  57 27 o 4.631000       2.091000      ?             ?      
1 1 1 7  57 28 o 1.392000       2.098000      ?             ?      
1 1 1 7  57 29 o -0.6570000     2.117000      ?             ?      
1 1 1 7  57 30 o -1.986000      1.854000      ?             ?      
1 1 1 7  57 31 o 1.270000       2.231000      ?             ?      
1 1 1 7  57 32 o 3.951000       2.272000      ?             ?      
1 1 1 7  57 33 o -0.4614000     2.269000      ?             ?      
1 1 1 7  57 34 o -1.180000      2.297000      ?             ?      
1 1 1 7  57 35 o 6.900000       2.412000      ?             ?      
1 1 1 7  57 36 o -1.902000      2.378000      ?             ?      
1 1 1 7  57 38 o -0.1295000     2.788000      ?             ?      
1 1 1 7  57 39 o 0.2781000      4.069000      ?             ?      
1 1 1 7  57 40 o 5.281000       4.305000      ?             ?      
1 1 1 7  58 0  o 17.52000       1.437000      ?             ?      
1 1 1 7  58 1  o 1.821000       0.8753000     ?             ?      
1 1 1 7  58 2  o 0.1923000      0.8637000     ?             ?      
1 1 1 7  58 3  o -0.8039000E-01 0.8285000     ?             ?      
1 1 1 7  58 4  o -0.5356000     0.8176000     ?             ?      
1 1 1 7  58 5  o 0.7942000      0.9051000     ?             ?      
1 1 1 7  58 6  o 2.463000       0.9505000     ?             ?      
1 1 1 7  58 7  o 5.742000       0.7698000     ?             ?      
1 1 1 7  58 8  o -0.2451000     0.7293000     ?             ?      
1 1 1 7  58 9  o -0.8527000     0.7786000     ?             ?      
1 1 1 7  58 10 o 0.7614000      0.6364000     ?             ?      
1 1 1 7  58 11 o 1.939000       1.348000      ?             ?      
1 1 1 7  58 12 o -0.5417000     1.241000      ?             ?      
1 1 1 7  58 13 o 5.807000       1.395000      ?             ?      
1 1 1 7  58 14 o 2.260000       1.251000      ?             ?      
1 1 1 7  58 15 o 1.549000       1.612000      ?             ?      
1 1 1 7  58 16 o -3.152000      1.615000      ?             ?      
1 1 1 7  58 17 o 5.720000       1.718000      ?             ?      
1 1 1 7  58 18 o 3.817000       1.729000      ?             ?      
1 1 1 7  58 19 o 0.2434000      1.714000      ?             ?      
1 1 1 7  58 20 o -1.228000      2.040000      ?             ?      
1 1 1 7  58 21 o 4.364000       2.538000      ?             ?      
1 1 1 7  58 22 o 7.843000       3.899000      ?             ?      
1 1 1 7  58 23 o -2.771000      2.696000      ?             ?      
1 1 1 7  58 24 o -0.7514000     2.309000      ?             ?      
1 1 1 7  58 25 o -0.3673000     2.325000      ?             ?      
1 1 1 7  58 26 o -0.5563000     2.317000      ?             ?      
1 1 1 7  58 27 o 0.9089000      2.449000      ?             ?      
1 1 1 7  58 28 o 0.5886000      2.458000      ?             ?      
1 1 1 7  58 29 o -0.5521000     2.462000      ?             ?      
1 1 1 7  58 30 o -5.127000      2.215000      ?             ?      
1 1 1 7  58 31 o 4.049000       2.522000      ?             ?      
1 1 1 7  58 32 o 1.697000       2.542000      ?             ?      
1 1 1 7  58 33 o 2.370000       2.666000      ?             ?      
1 1 1 7  58 34 o 1.101000       2.357000      ?             ?      
1 1 1 7  58 35 o -1.536000      3.927000      ?             ?      
1 1 1 7  58 36 o -1.503000      3.935000      ?             ?      
1 1 1 7  58 38 o -2.368000      4.160000      ?             ?      
1 1 1 7  59 0  o -0.8962000     1.213000      ?             ?      
1 1 1 7  59 1  o 2.953000       0.8702000     ?             ?      
1 1 1 7  59 2  o 7.546000       0.8974000     ?             ?      
1 1 1 7  59 3  o -0.9559000E-01 0.8407000     ?             ?      
1 1 1 7  59 4  o 0.3397000      0.8348000     ?             ?      
1 1 1 7  59 5  o 1.290000       0.9820000     ?             ?      
1 1 1 7  59 6  o -0.3644000     0.8675000     ?             ?      
1 1 1 7  59 7  o 1.382000       0.7340000     ?             ?      
1 1 1 7  59 8  o 0.2028000      0.6563000     ?             ?      
1 1 1 7  59 9  o 1.958000       0.7616000     ?             ?      
1 1 1 7  59 10 o 0.7501000E-01  0.6240000     ?             ?      
1 1 1 7  59 11 o 0.7815000      1.318000      ?             ?      
1 1 1 7  59 12 o 1.713000       1.243000      ?             ?      
1 1 1 7  59 13 o 0.8040000      1.241000      ?             ?      
1 1 1 7  59 14 o 2.127000       1.250000      ?             ?      
1 1 1 7  59 15 o 3.306000       1.629000      ?             ?      
1 1 1 7  59 16 o -0.6144000     1.621000      ?             ?      
1 1 1 7  59 17 o 0.8449000      1.639000      ?             ?      
1 1 1 7  59 18 o -0.8864000     1.660000      ?             ?      
1 1 1 7  59 19 o 1.016000       1.712000      ?             ?      
1 1 1 7  59 20 o -0.5808000     1.990000      ?             ?      
1 1 1 7  59 21 o -1.891000      3.330000      ?             ?      
1 1 1 7  59 22 o 1.843000       2.442000      ?             ?      
1 1 1 7  59 23 o 0.1319000      2.218000      ?             ?      
1 1 1 7  59 24 o 0.5978000E-01  2.092000      ?             ?      
1 1 1 7  59 25 o -1.738000      2.144000      ?             ?      
1 1 1 7  59 26 o -0.6365000E-01 2.179000      ?             ?      
1 1 1 7  59 27 o 2.456000       2.684000      ?             ?      
1 1 1 7  59 28 o -1.018000      2.669000      ?             ?      
1 1 1 7  59 29 o 2.841000       2.686000      ?             ?      
1 1 1 7  59 30 o -3.622000      3.782000      ?             ?      
1 1 1 7  59 31 < 0.000000       -1.000000     ?             ?      
1 1 1 7  59 32 o 6.091000       2.682000      ?             ?      
1 1 1 7  59 33 o -0.3856000     2.667000      ?             ?      
1 1 1 7  59 34 o 0.8831000      2.385000      ?             ?      
1 1 1 7  59 35 o 2.507000       2.734000      ?             ?      
1 1 1 7  60 0  o 0.3235000      1.164000      ?             ?      
1 1 1 7  60 1  o -1.110000      0.8921000     ?             ?      
1 1 1 7  60 2  o -0.6069000     0.8213000     ?             ?      
1 1 1 7  60 3  o 1.107000       0.8349000     ?             ?      
1 1 1 7  60 4  o 0.9534000      0.8075000     ?             ?      
1 1 1 7  60 5  o -0.3390000     0.9713000     ?             ?      
1 1 1 7  60 6  o 0.4381000      0.8476000     ?             ?      
1 1 1 7  60 7  o 1.087000       0.8468000     ?             ?      
1 1 1 7  60 8  o 0.1446000      0.6490000     ?             ?      
1 1 1 7  60 9  o -0.1597000     0.7337000     ?             ?      
1 1 1 7  60 10 o 0.7725000E-01  0.7246000     ?             ?      
1 1 1 7  60 11 o 1.036000       1.321000      ?             ?      
1 1 1 7  60 12 o 0.3283000      1.211000      ?             ?      
1 1 1 7  60 13 o 1.050000       1.209000      ?             ?      
1 1 1 7  60 14 o 2.442000       1.243000      ?             ?      
1 1 1 7  60 15 o 4.471000       1.667000      ?             ?      
1 1 1 7  60 16 o 2.134000       1.631000      ?             ?      
1 1 1 7  60 17 o -0.6492000E-01 1.634000      ?             ?      
1 1 1 7  60 18 o 0.5840000      1.662000      ?             ?      
1 1 1 7  60 19 o -0.7534000     1.981000      ?             ?      
1 1 1 7  60 20 o 4.153000       2.454000      ?             ?      
1 1 1 7  60 21 o 3.441000       3.574000      ?             ?      
1 1 1 7  60 22 o -1.685000      2.331000      ?             ?      
1 1 1 7  60 23 o -1.345000      2.073000      ?             ?      
1 1 1 7  60 24 o 2.547000       2.132000      ?             ?      
1 1 1 7  60 25 o 0.8693000      2.131000      ?             ?      
1 1 1 7  60 26 o -0.9536000E-01 2.186000      ?             ?      
1 1 1 7  60 27 o 3.004000       2.221000      ?             ?      
1 1 1 7  60 28 o 0.5211000      1.851000      ?             ?      
1 1 1 7  60 29 o -1.175000      1.844000      ?             ?      
1 1 1 7  60 30 o 0.4888000      1.880000      ?             ?      
1 1 1 7  60 31 o -0.8591000     1.962000      ?             ?      
1 1 1 7  60 32 o -1.569000      2.833000      ?             ?      
1 1 1 7  60 33 o 1.022000       2.503000      ?             ?      
1 1 1 7  61 0  o 1.196000       1.166000      ?             ?      
1 1 1 7  61 1  o 0.7736000      0.8847000     ?             ?      
1 1 1 7  61 2  o 0.2548000      0.8135000     ?             ?      
1 1 1 7  61 3  o 0.3704000      0.8155000     ?             ?      
1 1 1 7  61 4  o 0.5754000E-01  0.7919000     ?             ?      
1 1 1 7  61 5  o -0.4887000     0.9729000     ?             ?      
1 1 1 7  61 6  o 0.7931000      0.8434000     ?             ?      
1 1 1 7  61 7  o 0.4690000      0.7180000     ?             ?      
1 1 1 7  61 8  o 0.6811000      0.6489000     ?             ?      
1 1 1 7  61 9  o 2.642000       0.7628000     ?             ?      
1 1 1 7  61 10 o 0.8750000      0.7278000     ?             ?      
1 1 1 7  61 11 o 4.363000       1.371000      ?             ?      
1 1 1 7  61 12 o 5.393000       1.294000      ?             ?      
1 1 1 7  61 13 o -1.194000      1.218000      ?             ?      
1 1 1 7  61 14 o 0.3383000      1.223000      ?             ?      
1 1 1 7  61 15 o -1.567000      1.593000      ?             ?      
1 1 1 7  61 16 o 1.993000       1.639000      ?             ?      
1 1 1 7  61 17 o -0.2959000     1.644000      ?             ?      
1 1 1 7  61 18 o 0.6999000      1.663000      ?             ?      
1 1 1 7  61 19 o -0.3156000     2.006000      ?             ?      
1 1 1 7  61 20 o 0.2136000      3.429000      ?             ?      
1 1 1 7  61 21 o -1.709000      2.421000      ?             ?      
1 1 1 7  61 22 o 3.075000       2.288000      ?             ?      
1 1 1 7  61 23 o -2.475000      1.742000      ?             ?      
1 1 1 7  61 24 o -1.578000      1.783000      ?             ?      
1 1 1 7  61 25 o -1.065000      1.793000      ?             ?      
1 1 1 7  61 26 o 3.003000       1.829000      ?             ?      
1 1 1 7  61 27 o -0.9981000     1.821000      ?             ?      
1 1 1 7  61 28 o 0.7772000      1.873000      ?             ?      
1 1 1 7  61 29 o -1.508000      2.245000      ?             ?      
1 1 1 7  61 30 o 3.663000       2.269000      ?             ?      
1 1 1 7  61 31 o 1.305000       2.321000      ?             ?      
1 1 1 7  62 0  o 0.4646000      1.167000      ?             ?      
1 1 1 7  62 1  o -1.571000      0.8902000     ?             ?      
1 1 1 7  62 2  o 0.3818000      0.8186000     ?             ?      
1 1 1 7  62 3  o 2.597000       0.8695000     ?             ?      
1 1 1 7  62 4  o 1.274000       0.8594000     ?             ?      
1 1 1 7  62 5  o 1.497000       1.086000      ?             ?      
1 1 1 7  62 6  o -1.315000      0.8734000     ?             ?      
1 1 1 7  62 7  o -0.8871000E-01 0.7125000     ?             ?      
1 1 1 7  62 8  o 0.2792000      0.7531000     ?             ?      
1 1 1 7  62 9  o 0.9683000      0.7610000     ?             ?      
1 1 1 7  62 10 o 2.841000       1.218000      ?             ?      
1 1 1 7  62 11 o 0.2230000      1.733000      ?             ?      
1 1 1 7  62 12 o -0.3673000     1.650000      ?             ?      
1 1 1 7  62 13 o 0.8355000      1.244000      ?             ?      
1 1 1 7  62 14 o 2.133000       1.599000      ?             ?      
1 1 1 7  62 15 o 1.850000       1.624000      ?             ?      
1 1 1 7  62 16 o -0.8082000     1.643000      ?             ?      
1 1 1 7  62 17 o 0.8934000      1.688000      ?             ?      
1 1 1 7  62 18 o 0.9828000      2.047000      ?             ?      
1 1 1 7  62 19 o -3.001000      2.456000      ?             ?      
1 1 1 7  62 20 o 3.568000       2.605000      ?             ?      
1 1 1 7  62 21 f 0.4721000      2.267000      ?             ?      
1 1 1 7  62 22 o -0.7585000     2.127000      ?             ?      
1 1 1 7  62 23 o -0.6979000     2.127000      ?             ?      
1 1 1 7  62 24 o -1.418000      2.159000      ?             ?      
1 1 1 7  62 25 o -1.644000      2.230000      ?             ?      
1 1 1 7  62 26 o 0.3054000      2.212000      ?             ?      
1 1 1 7  62 27 o -0.9519000     2.249000      ?             ?      
1 1 1 7  62 28 o -1.163000      2.236000      ?             ?      
1 1 1 7  63 0  o -1.206000      1.361000      ?             ?      
1 1 1 7  63 1  o -1.119000      0.8302000     ?             ?      
1 1 1 7  63 2  o 1.017000       0.8361000     ?             ?      
1 1 1 7  63 3  o 0.7699000      0.8643000     ?             ?      
1 1 1 7  63 4  o 0.4771000      0.8644000     ?             ?      
1 1 1 7  63 5  o 0.5953000      1.087000      ?             ?      
1 1 1 7  63 6  o -0.2486000     0.9483000     ?             ?      
1 1 1 7  63 7  o -0.8363000     0.7410000     ?             ?      
1 1 1 7  63 8  o -0.6311000E-01 0.7511000     ?             ?      
1 1 1 7  63 9  o -0.8813000     0.7525000     ?             ?      
1 1 1 7  63 10 o -0.4036000     1.184000      ?             ?      
1 1 1 7  63 11 o 0.8375000      1.721000      ?             ?      
1 1 1 7  63 12 o 1.974000       1.625000      ?             ?      
1 1 1 7  63 13 o -0.1648000     1.609000      ?             ?      
1 1 1 7  63 14 o 0.8858000      1.931000      ?             ?      
1 1 1 7  63 15 o -0.7605000     1.953000      ?             ?      
1 1 1 7  63 16 o 1.454000       2.010000      ?             ?      
1 1 1 7  63 17 o -0.8174000     2.022000      ?             ?      
1 1 1 7  63 18 o -1.143000      2.034000      ?             ?      
1 1 1 7  63 19 o -3.872000      3.418000      ?             ?      
1 1 1 7  63 20 o -2.883000      3.059000      ?             ?      
1 1 1 7  63 21 o 3.587000       2.360000      ?             ?      
1 1 1 7  63 22 o 1.859000       2.146000      ?             ?      
1 1 1 7  63 23 o 4.341000       2.229000      ?             ?      
1 1 1 7  63 24 o 1.117000       2.203000      ?             ?      
1 1 1 7  63 25 o -0.5486000     2.190000      ?             ?      
1 1 1 7  64 0  f 0.6025000      1.374000      ?             ?      
1 1 1 7  64 1  o 1.084000       0.8404000     ?             ?      
1 1 1 7  64 2  o 0.7663000      0.8390000     ?             ?      
1 1 1 7  64 3  o -0.7992000     0.8463000     ?             ?      
1 1 1 7  64 4  o 0.9218000E-02  0.8600000     ?             ?      
1 1 1 7  64 5  o 0.1178000      1.046000      ?             ?      
1 1 1 7  64 6  o 0.3415000      0.9565000     ?             ?      
1 1 1 7  64 7  f 1.230000       0.7455000     ?             ?      
1 1 1 7  64 8  o -0.2904000     0.7400000     ?             ?      
1 1 1 7  64 9  o -1.152000      0.7345000     ?             ?      
1 1 1 7  64 10 o 0.4058000      1.672000      ?             ?      
1 1 1 7  64 11 o 1.063000       1.732000      ?             ?      
1 1 1 7  64 12 o -0.7505000     1.662000      ?             ?      
1 1 1 7  64 13 o 1.996000       1.927000      ?             ?      
1 1 1 7  64 14 o 1.963000       1.992000      ?             ?      
1 1 1 7  64 15 o 0.6876000      1.983000      ?             ?      
1 1 1 7  64 16 o 5.609000       3.420000      ?             ?      
1 1 1 7  64 17 o 3.850000       2.080000      ?             ?      
1 1 1 7  64 18 o 1.838000       2.490000      ?             ?      
1 1 1 7  64 19 o 6.217000       3.540000      ?             ?      
1 1 1 7  64 20 o 0.6604000      3.052000      ?             ?      
1 1 1 7  64 21 o -6.988000      3.724000      ?             ?      
1 1 1 7  65 0  o -2.915000      1.386000      ?             ?      
1 1 1 7  65 1  o -0.3615000     0.8433000     ?             ?      
1 1 1 7  65 2  o 1.750000       0.8582000     ?             ?      
1 1 1 7  65 3  o -0.2415000     0.8940000     ?             ?      
1 1 1 7  65 4  o -0.1236000     0.8614000     ?             ?      
1 1 1 7  65 5  o 0.3877000      1.053000      ?             ?      
1 1 1 7  65 6  o -0.2197000     0.9511000     ?             ?      
1 1 1 7  65 7  o -0.2197000     0.7096000     ?             ?      
1 1 1 7  65 8  o 1.398000       0.7700000     ?             ?      
1 1 1 7  65 9  o 0.4800000      0.7291000     ?             ?      
1 1 1 7  65 10 o 1.320000       1.629000      ?             ?      
1 1 1 7  65 11 o -0.8404000     1.630000      ?             ?      
1 1 1 7  65 12 o -1.031000      1.648000      ?             ?      
1 1 1 7  65 13 o -0.9353000     1.933000      ?             ?      
1 1 1 7  65 14 o -0.4420000E-01 1.691000      ?             ?      
1 1 1 7  65 15 o 0.2448000      2.043000      ?             ?      
1 1 1 7  65 16 o -0.5542000     3.320000      ?             ?      
1 1 1 7  65 17 o 1.390000       3.378000      ?             ?      
1 1 1 7  66 0  o 1.736000       1.419000      ?             ?      
1 1 1 7  66 1  o -0.3888000     0.8512000     ?             ?      
1 1 1 7  66 2  o -1.052000      0.8805000     ?             ?      
1 1 1 7  66 3  o 1.603000       0.8928000     ?             ?      
1 1 1 7  66 4  o 0.2602000      0.9906000     ?             ?      
1 1 1 7  66 5  o 0.1027000      1.059000      ?             ?      
1 1 1 7  66 6  o -0.9006000     0.9489000     ?             ?      
1 1 1 7  66 7  o 0.6183000      0.8731000     ?             ?      
1 1 1 7  66 8  o 1.425000       1.521000      ?             ?      
1 1 1 7  66 9  o 1.162000       1.094000      ?             ?      
1 1 1 7  66 10 o 1.485000       1.664000      ?             ?      
1 1 1 7  66 11 o 0.3903000      1.577000      ?             ?      
1 1 1 7  66 12 o 1.722000       1.112000      ?             ?      
1 1 1 8  0  0  o 1328.000       51.96000      3833.771      -180.0 
1 1 1 8  0  1  o 229.1000       5.210000      1450.517      90.0   
1 1 1 8  0  2  o 416.4000       11.59000      2345.709      -180.0 
1 1 1 8  0  3  o 1319.000       29.86000      4277.442      90.0   
1 1 1 8  0  4  o 1861.000       51.49000      5650.410      -180.0 
1 1 1 8  0  5  o 1005.000       27.82000      3517.936      90.0   
1 1 1 8  0  6  o 7.450000       0.5328000     63.75824      180.0  
1 1 1 8  0  7  o 101.8000       3.339000      1355.164      90.0   
1 1 1 8  0  8  o 215.0000       6.019000      1764.621      180.0  
1 1 1 8  0  9  o 1345.000       37.25000      5927.931      90.0   
1 1 1 8  0  10 o 46.78000       1.444000      2168.254      180.0  
1 1 1 8  0  11 o 30.36000       1.037000      398.3407      90.0   
1 1 1 8  0  12 o 864.0000       27.74000      4301.615      -180.0 
1 1 1 8  0  13 o 231.3000       12.99000      2227.273      90.0   
1 1 1 8  0  14 o 9.917000       1.441000      184.0011      180.0  
1 1 1 8  0  15 o 237.1000       7.734000      2165.573      -90.0  
1 1 1 8  0  16 o 76.29000       2.312000      987.3206      180.0  
1 1 1 8  0  17 o 22.31000       1.001000      1097.717      90.0   
1 1 1 8  0  18 o 80.99000       2.480000      1718.597      -0.0   
1 1 1 8  0  19 o 2.592000       0.7598000     599.2042      -90.0  
1 1 1 8  0  20 o 79.23000       2.460000      1086.551      -180.0 
1 1 1 8  0  21 o 880.0000       24.47000      4389.146      -90.0  
1 1 1 8  0  22 o 10.84000       0.9732000     374.6655      180.0  
1 1 1 8  0  23 o 11.86000       1.028000      1027.592      90.0   
1 1 1 8  0  24 o 17.73000       1.162000      477.8020      180.0  
1 1 1 8  0  25 o 157.6000       4.641000      1176.865      90.0   
1 1 1 8  0  26 o 880.4000       24.52000      4183.183      -180.0 
1 1 1 8  0  27 o 382.2000       10.81000      2628.547      90.0   
1 1 1 8  0  28 o 328.5000       9.348000      2469.192      0.0    
1 1 1 8  0  29 o 145.5000       4.418000      1685.621      90.0   
1 1 1 8  0  30 o 88.55000       3.023000      1543.964      180.0  
1 1 1 8  0  31 o 16.16000       1.639000      311.2316      -90.0  
1 1 1 8  0  32 o 368.5000       12.13000      2230.990      -0.0   
1 1 1 8  0  33 o 895.1000       50.02000      4057.017      90.0   
1 1 1 8  0  34 o 201.5000       12.27000      1543.665      0.0    
1 1 1 8  0  35 o 57.07000       2.883000      1250.131      -90.0  
1 1 1 8  0  36 o 96.23000       3.397000      1603.050      -0.0   
1 1 1 8  0  37 o 7.756000       1.686000      202.3439      -90.0  
1 1 1 8  0  38 o 6.907000       1.613000      833.2702      0.0    
1 1 1 8  0  39 o 153.9000       4.780000      1183.276      -90.0  
1 1 1 8  0  40 o 95.84000       3.316000      1123.292      0.0    
1 1 1 8  0  41 o 5.258000       1.492000      660.7300      90.0   
1 1 1 8  0  42 o 68.25000       2.609000      1203.801      180.0  
1 1 1 8  0  43 o 63.39000       2.547000      1596.014      90.0   
1 1 1 8  0  44 o 40.20000       2.313000      865.4401      -180.0 
1 1 1 8  0  45 f 51.79000       2.307000      1063.590      -90.0  
1 1 1 8  0  46 o 72.73000       4.047000      1405.027      0.0    
1 1 1 8  0  47 o 26.67000       2.749000      452.9498      90.0   
1 1 1 8  0  48 o -0.4424000E-01 1.554000      206.4466      180.0  
1 1 1 8  0  49 o 27.65000       2.129000      557.3715      90.0   
1 1 1 8  0  50 o 11.03000       3.626000      561.9965      0.0    
1 1 1 8  0  51 o 52.89000       5.150000      1064.943      -90.0  
1 1 1 8  0  52 o 17.66000       1.893000      230.8198      0.0    
1 1 1 8  0  53 o 4.372000       1.745000      214.6525      -90.0  
1 1 1 8  0  54 o 111.0000       3.945000      ?             ?      
1 1 1 8  0  55 o 29.60000       2.158000      832.8485      90.0   
1 1 1 8  0  56 o 15.76000       2.013000      466.7299      180.0  
1 1 1 8  0  57 o 26.66000       2.183000      825.9341      90.0   
1 1 1 8  0  58 o 50.49000       2.638000      1282.062      -0.0   
1 1 1 8  0  59 o 40.50000       2.470000      1068.449      90.0   
1 1 1 8  0  60 o 2.359000       1.966000      351.9576      0.0    
1 1 1 8  0  61 o 7.175000       2.026000      577.9636      90.0   
1 1 1 8  0  62 o 8.702000       2.053000      ?             ?      
1 1 1 8  0  63 o 7.751000       1.998000      ?             ?      
1 1 1 8  0  64 o -0.7629000     1.941000      ?             ?      
1 1 1 8  0  65 o 12.86000       3.025000      ?             ?      
1 1 1 8  0  66 o 4.985000       3.834000      ?             ?      
1 1 1 8  0  67 o 4.830000       1.949000      ?             ?      
1 1 1 8  0  68 o -0.4272000     1.894000      ?             ?      
1 1 1 8  0  69 o 9.346000       2.003000      ?             ?      
1 1 1 8  0  70 o 0.3380000      1.931000      ?             ?      
1 1 1 8  0  71 o 33.12000       2.434000      ?             ?      
1 1 1 8  0  72 o 4.509000       1.933000      ?             ?      
1 1 1 8  0  73 o 0.2439000      1.912000      ?             ?      
1 1 1 8  0  74 o 1.259000       1.943000      ?             ?      
1 1 1 8  0  75 o 6.246000       2.027000      ?             ?      
1 1 1 8  0  76 o 0.9149000E-01  2.032000      ?             ?      
1 1 1 8  1  0  o 183.7000       4.605000      1315.710      -180.0 
1 1 1 8  1  1  o 10.75000       0.3841000     246.7036      -25.2  
1 1 1 8  1  2  o 270.2000       4.768000      1837.436      29.2   
1 1 1 8  1  3  o 319.3000       6.280000      2120.305      10.6   
1 1 1 8  1  4  o 535.5000       9.012000      2422.097      -171.1 
1 1 1 8  1  5  o 584.9000       10.90000      3068.045      5.3    
1 1 1 8  1  6  o 1642.000       32.13000      ?             ?      
1 1 1 8  1  8  o 769.2000       15.08000      4101.886      -139.5 
1 1 1 8  1  9  o 7.475000       0.3360000     947.0198      -135.3 
1 1 1 8  1  10 o 75.45000       1.557000      1556.375      -123.0 
1 1 1 8  1  11 o 220.9000       4.390000      2158.716      -63.1  
1 1 1 8  1  12 o 135.0000       3.527000      1729.325      156.9  
1 1 1 8  1  13 o 20.37000       1.218000      954.2980      32.3   
1 1 1 8  1  14 o 94.94000       3.956000      1331.613      -102.4 
1 1 1 8  1  15 o 20.99000       0.8510000     907.2914      -122.0 
1 1 1 8  1  16 o 140.6000       3.092000      1227.007      -95.7  
1 1 1 8  1  17 o 44.63000       1.071000      926.2246      -47.3  
1 1 1 8  1  18 o 351.2000       6.965000      2287.849      -71.3  
1 1 1 8  1  19 o 84.62000       1.827000      1501.905      59.2   
1 1 1 8  1  20 o 61.78000       1.423000      822.3091      -37.1  
1 1 1 8  1  21 o 64.38000       1.489000      1308.776      -42.4  
1 1 1 8  1  22 o 110.6000       2.351000      1621.155      128.0  
1 1 1 8  1  23 o 368.5000       7.334000      2752.985      -172.7 
1 1 1 8  1  24 o 250.9000       5.061000      2107.227      -68.7  
1 1 1 8  1  25 o 208.5000       4.253000      1916.731      -78.3  
1 1 1 8  1  26 o 22.41000       0.9514000     599.4736      72.3   
1 1 1 8  1  27 o 49.12000       1.363000      1014.866      3.4    
1 1 1 8  1  28 o 260.5000       5.299000      2235.652      135.2  
1 1 1 8  1  29 o 183.5000       3.839000      1716.207      28.5   
1 1 1 8  1  30 o 220.1000       4.557000      2374.063      160.8  
1 1 1 8  1  31 o 97.93000       2.335000      938.6367      74.7   
1 1 1 8  1  32 o 54.49000       2.149000      1248.704      125.7  
1 1 1 8  1  33 o 140.9000       6.298000      1903.417      -100.6 
1 1 1 8  1  34 o 13.49000       2.629000      606.2622      -121.6 
1 1 1 8  1  35 o 19.41000       1.453000      977.4866      -152.0 
1 1 1 8  1  36 o 161.3000       3.551000      1709.240      -124.3 
1 1 1 8  1  37 o 26.49000       1.352000      801.1096      131.5  
1 1 1 8  1  38 o 144.2000       3.204000      1797.626      124.3  
1 1 1 8  1  39 o 15.98000       1.195000      423.1549      -89.1  
1 1 1 8  1  40 o 361.0000       7.320000      ?             ?      
1 1 1 8  1  41 o 37.93000       1.499000      949.8987      95.2   
1 1 1 8  1  42 o 13.44000       1.178000      671.6765      28.3   
1 1 1 8  1  43 o 2.590000       1.045000      109.9132      -108.0 
1 1 1 8  1  44 o 31.26000       1.653000      847.9727      124.6  
1 1 1 8  1  45 o 63.22000       1.972000      1237.626      -57.5  
1 1 1 8  1  46 o 23.94000       1.359000      738.0590      101.3  
1 1 1 8  1  47 o 22.96000       1.433000      662.7872      124.3  
1 1 1 8  1  48 o 7.113000       1.136000      183.8438      156.0  
1 1 1 8  1  49 o 31.39000       1.785000      740.6727      88.3   
1 1 1 8  1  50 o 4.664000       1.939000      242.2596      130.4  
1 1 1 8  1  52 o 8.868000       1.402000      353.7988      84.9   
1 1 1 8  1  53 o 10.45000       1.296000      336.8248      -80.0  
1 1 1 8  1  54 o 5.782000       1.286000      251.5247      -142.0 
1 1 1 8  1  55 o 23.86000       1.467000      527.9155      -92.2  
1 1 1 8  1  56 o 33.70000       1.599000      834.9468      122.6  
1 1 1 8  1  57 o 66.63000       2.097000      ?             ?      
1 1 1 8  1  58 o 57.51000       1.974000      ?             ?      
1 1 1 8  1  59 o 27.40000       1.590000      774.7635      72.4   
1 1 1 8  1  60 o 37.24000       1.728000      992.3450      -104.7 
1 1 1 8  1  61 o 9.934000       1.471000      290.1717      -60.0  
1 1 1 8  1  62 o 4.563000       1.422000      ?             ?      
1 1 1 8  1  63 o 4.369000       1.401000      ?             ?      
1 1 1 8  1  64 o 20.12000       1.654000      ?             ?      
1 1 1 8  1  65 o 18.10000       2.727000      ?             ?      
1 1 1 8  1  66 o 1.159000       2.301000      ?             ?      
1 1 1 8  1  67 o 2.276000       1.459000      ?             ?      
1 1 1 8  1  68 o 1.487000       1.363000      ?             ?      
1 1 1 8  1  69 o 7.658000       1.399000      ?             ?      
1 1 1 8  1  70 o 15.66000       1.491000      ?             ?      
1 1 1 8  1  72 o 3.105000       1.380000      ?             ?      
1 1 1 8  1  73 o 1.568000       1.362000      ?             ?      
1 1 1 8  1  74 o 5.336000       1.415000      ?             ?      
1 1 1 8  1  76 o 1.877000       1.436000      ?             ?      
1 1 1 8  2  0  o 1609.000       39.96000      3993.135      180.0  
1 1 1 8  2  1  o 233.6000       4.382000      2190.948      -159.1 
1 1 1 8  2  2  o 151.5000       2.452000      1940.039      98.5   
1 1 1 8  2  3  o 153.6000       2.604000      1508.000      67.2   
1 1 1 8  2  4  o 1818.000       35.56000      ?             ?      
1 1 1 8  2  5  o 94.86000       1.801000      947.5381      103.4  
1 1 1 8  2  6  o 897.0000       17.57000      4329.424      82.2   
1 1 1 8  2  7  o 51.68000       1.079000      1052.108      81.6   
1 1 1 8  2  8  o 382.1000       7.516000      2747.628      167.1  
1 1 1 8  2  9  o 104.4000       2.110000      1237.153      97.0   
1 1 1 8  2  10 o 320.9000       6.334000      2731.461      -49.9  
1 1 1 8  2  11 o 64.82000       1.575000      1052.032      -162.2 
1 1 1 8  2  12 o 389.3000       9.908000      2496.569      151.3  
1 1 1 8  2  13 o 124.9000       4.103000      1299.858      94.4   
1 1 1 8  2  14 o 50.53000       3.257000      1072.153      156.1  
1 1 1 8  2  15 o 51.54000       1.512000      1621.299      -8.8   
1 1 1 8  2  16 o 148.6000       3.259000      1579.712      -65.4  
1 1 1 8  2  17 o 77.56000       1.672000      1105.570      132.9  
1 1 1 8  2  18 o 276.4000       5.509000      2271.861      91.4   
1 1 1 8  2  19 o 35.80000       0.9584000     630.9613      155.5  
1 1 1 8  2  20 o 46.42000       1.152000      1130.202      -117.4 
1 1 1 8  2  21 o 56.60000       1.350000      1430.673      90.7   
1 1 1 8  2  22 o 175.6000       3.594000      1957.150      114.4  
1 1 1 8  2  23 o 695.9000       13.72000      3161.166      -41.6  
1 1 1 8  2  24 o 40.26000       1.145000      663.6545      130.9  
1 1 1 8  2  25 o 317.1000       6.356000      2973.813      93.3   
1 1 1 8  2  26 o 354.4000       7.090000      2972.094      176.7  
1 1 1 8  2  27 o 29.65000       1.153000      723.4734      116.8  
1 1 1 8  2  28 o 194.7000       4.036000      1816.184      6.1    
1 1 1 8  2  29 o 267.7000       5.450000      1772.146      -161.7 
1 1 1 8  2  30 o 175.7000       3.720000      1784.571      -99.7  
1 1 1 8  2  31 o 355.4000       7.181000      2503.754      -40.1  
1 1 1 8  2  32 o 75.70000       2.577000      1352.107      55.3   
1 1 1 8  2  33 o 96.23000       3.823000      1271.012      151.0  
1 1 1 8  2  34 o 473.0000       15.78000      3309.307      -65.9  
1 1 1 8  2  35 o 27.12000       1.892000      1087.936      -19.1  
1 1 1 8  2  36 o 163.9000       3.885000      1692.955      -14.6  
1 1 1 8  2  37 o 18.69000       1.259000      720.4559      -121.9 
1 1 1 8  2  38 o 17.45000       1.235000      502.5536      33.4   
1 1 1 8  2  39 o 87.22000       2.361000      1112.810      23.6   
1 1 1 8  2  40 o 156.1000       3.433000      1806.756      0.8    
1 1 1 8  2  41 o 41.28000       1.600000      860.7359      -4.7   
1 1 1 8  2  42 o 195.4000       5.105000      2123.979      152.7  
1 1 1 8  2  43 o 95.59000       2.329000      1479.988      93.6   
1 1 1 8  2  44 o 55.20000       1.781000      1039.148      -74.5  
1 1 1 8  2  45 o 44.03000       1.614000      933.9173      -53.9  
1 1 1 8  2  46 o 17.87000       1.182000      528.1243      83.7   
1 1 1 8  2  47 o 136.7000       3.110000      ?             ?      
1 1 1 8  2  48 o 32.66000       1.481000      884.2255      88.8   
1 1 1 8  2  49 o 6.093000       1.394000      226.5136      -97.0  
1 1 1 8  2  50 o 35.98000       2.390000      860.4531      -166.8 
1 1 1 8  2  51 o 43.89000       4.754000      1087.789      -39.2  
1 1 1 8  2  52 o 30.14000       2.401000      735.7124      50.7   
1 1 1 8  2  53 o 109.2000       3.128000      ?             ?      
1 1 1 8  2  54 o 5.467000       1.361000      213.7647      163.8  
1 1 1 8  2  55 o 12.16000       1.354000      348.5575      171.9  
1 1 1 8  2  56 o 4.675000       1.338000      259.6747      -32.9  
1 1 1 8  2  57 o 7.171000       1.374000      251.2686      7.7    
1 1 1 8  2  58 o 1.544000       1.364000      198.4656      -1.3   
1 1 1 8  2  59 f 1.341000       1.378000      107.2905      152.6  
1 1 1 8  2  60 o 68.74000       2.198000      ?             ?      
1 1 1 8  2  61 o 9.494000       1.477000      503.3781      19.5   
1 1 1 8  2  62 o 18.36000       1.545000      ?             ?      
1 1 1 8  2  63 o 4.167000       1.429000      ?             ?      
1 1 1 8  2  64 o 14.85000       1.735000      ?             ?      
1 1 1 8  2  65 o 24.73000       2.618000      ?             ?      
1 1 1 8  2  66 o 0.4030000      2.285000      ?             ?      
1 1 1 8  2  67 o 4.542000       1.607000      ?             ?      
1 1 1 8  2  68 o 1.317000       1.385000      ?             ?      
1 1 1 8  2  69 o 2.754000       1.380000      ?             ?      
1 1 1 8  2  70 o 4.447000       1.402000      ?             ?      
1 1 1 8  2  71 o 1.926000       1.379000      ?             ?      
1 1 1 8  2  72 o 0.8347000      1.382000      ?             ?      
1 1 1 8  2  73 o -0.9434000     1.364000      ?             ?      
1 1 1 8  2  74 o 2.445000       1.378000      ?             ?      
1 1 1 8  2  75 o 3.085000       1.427000      ?             ?      
1 1 1 8  2  76 o -3.082000      1.987000      ?             ?      
1 1 1 8  3  0  o 141.7000       3.976000      1355.100      -0.0   
1 1 1 8  3  1  o 61.65000       1.359000      772.4528      107.4  
1 1 1 8  3  2  o 270.4000       4.403000      2409.995      -9.5   
1 1 1 8  3  3  o 38.13000       0.6951000     670.1002      -28.8  
1 1 1 8  3  4  o 119.1000       2.122000      1133.202      -130.6 
1 1 1 8  3  5  o 260.1000       4.587000      1945.660      -28.3  
1 1 1 8  3  6  o 176.0000       3.302000      1688.420      15.3   
1 1 1 8  3  7  o 390.4000       7.670000      2653.251      -79.7  
1 1 1 8  3  8  o 137.2000       2.736000      1827.685      -160.8 
1 1 1 8  3  9  o 65.46000       1.359000      1801.054      -54.4  
1 1 1 8  3  10 o 192.8000       3.832000      1971.515      -118.4 
1 1 1 8  3  11 o 152.4000       3.520000      2031.700      -134.7 
1 1 1 8  3  12 o 54.61000       1.661000      1580.837      149.7  
1 1 1 8  3  13 o 75.14000       2.043000      1902.138      106.7  
1 1 1 8  3  14 o 125.9000       3.309000      1103.001      -141.3 
1 1 1 8  3  15 o 54.72000       1.760000      649.7131      -153.4 
1 1 1 8  3  16 o 129.4000       3.068000      1498.099      104.7  
1 1 1 8  3  17 o 30.47000       0.9162000     796.4705      -30.5  
1 1 1 8  3  18 o 55.19000       1.281000      1130.732      -148.7 
1 1 1 8  3  19 o 14.35000       0.6491000     290.0532      -2.6   
1 1 1 8  3  20 o 60.79000       1.410000      1141.228      -118.4 
1 1 1 8  3  21 o 42.89000       1.117000      812.0941      -67.1  
1 1 1 8  3  22 o 52.47000       1.305000      1260.270      180.0  
1 1 1 8  3  23 o 114.6000       2.448000      1793.055      -138.7 
1 1 1 8  3  24 o 137.8000       2.896000      1830.611      -37.1  
1 1 1 8  3  25 o 60.03000       1.505000      578.8293      -127.3 
1 1 1 8  3  26 o 447.3000       8.897000      2748.948      -161.9 
1 1 1 8  3  27 o 96.79000       2.192000      1821.093      -14.3  
1 1 1 8  3  28 o 36.91000       1.233000      821.9551      -28.1  
1 1 1 8  3  29 o 68.24000       1.763000      1045.591      108.8  
1 1 1 8  3  30 o 91.59000       2.207000      1275.543      7.4    
1 1 1 8  3  31 o 13.36000       1.310000      505.4642      -33.7  
1 1 1 8  3  32 o 621.3000       17.44000      3596.111      -114.9 
1 1 1 8  3  33 o 190.9000       4.709000      1824.580      -80.7  
1 1 1 8  3  34 o 139.2000       3.652000      1493.247      -98.9  
1 1 1 8  3  35 o 132.9000       5.005000      1575.241      -160.1 
1 1 1 8  3  36 o 24.97000       1.466000      664.1712      164.8  
1 1 1 8  3  37 o 44.65000       1.675000      1129.846      -129.8 
1 1 1 8  3  38 o 195.7000       4.172000      1894.085      114.8  
1 1 1 8  3  39 o 175.2000       4.681000      1883.578      23.4   
1 1 1 8  3  40 o 6.237000       1.389000      582.5709      -125.2 
1 1 1 8  3  41 o 36.50000       1.390000      1078.212      -44.2  
1 1 1 8  3  42 o 13.55000       1.359000      521.4885      -167.2 
1 1 1 8  3  43 o 46.06000       1.524000      998.0099      147.2  
1 1 1 8  3  44 o 17.42000       1.141000      544.2882      -37.8  
1 1 1 8  3  45 o 28.86000       1.282000      824.1290      65.9   
1 1 1 8  3  46 o 31.86000       1.335000      834.8395      -141.4 
1 1 1 8  3  47 o 3.571000       1.061000      270.4548      161.7  
1 1 1 8  3  48 o 21.03000       1.315000      536.8007      -146.9 
1 1 1 8  3  49 o 12.27000       1.517000      391.0330      173.5  
1 1 1 8  3  50 o 28.14000       1.563000      783.1818      124.3  
1 1 1 8  3  51 o 13.06000       1.628000      667.1125      153.9  
1 1 1 8  3  52 o 2.402000       1.640000      172.5752      -5.3   
1 1 1 8  3  53 o 17.93000       1.654000      687.6982      -117.6 
1 1 1 8  3  54 o 16.00000       1.700000      575.5075      113.3  
1 1 1 8  3  55 o 2.669000       1.289000      318.9833      116.0  
1 1 1 8  3  56 o 66.62000       2.216000      ?             ?      
1 1 1 8  3  57 o 26.35000       1.639000      761.8273      99.4   
1 1 1 8  3  58 o 3.614000       1.362000      252.5066      20.7   
1 1 1 8  3  59 o 13.81000       1.461000      643.7333      4.8    
1 1 1 8  3  60 o 14.35000       1.491000      623.8756      -115.9 
1 1 1 8  3  61 o 22.31000       1.577000      922.9038      -148.0 
1 1 1 8  3  62 o 15.71000       1.526000      ?             ?      
1 1 1 8  3  63 o 19.67000       1.670000      ?             ?      
1 1 1 8  3  64 o 17.31000       1.965000      ?             ?      
1 1 1 8  3  65 o 2.818000       1.594000      ?             ?      
1 1 1 8  3  66 o 3.528000       1.610000      ?             ?      
1 1 1 8  3  67 o 1.577000       1.802000      ?             ?      
1 1 1 8  3  68 o 2.769000       1.492000      ?             ?      
1 1 1 8  3  69 o 1.761000       1.371000      ?             ?      
1 1 1 8  3  70 o 4.104000       1.378000      ?             ?      
1 1 1 8  3  71 o 0.8094000      1.371000      ?             ?      
1 1 1 8  3  72 o 6.233000       1.412000      ?             ?      
1 1 1 8  3  73 o -0.1009000     1.364000      ?             ?      
1 1 1 8  3  74 o -0.4823000     1.520000      ?             ?      
1 1 1 8  3  75 o 2.003000       1.419000      ?             ?      
1 1 1 8  3  76 o 1.548000       2.058000      ?             ?      
1 1 1 8  4  0  o 204.0000       4.657000      1446.646      180.0  
1 1 1 8  4  1  o 43.33000       0.9822000     1000.642      -94.4  
1 1 1 8  4  2  o 78.92000       1.363000      1119.782      114.2  
1 1 1 8  4  3  o 41.40000       1.247000      1048.364      -126.7 
1 1 1 8  4  4  o 271.2000       4.783000      2057.143      168.6  
1 1 1 8  4  5  o 193.5000       3.427000      2147.714      109.3  
1 1 1 8  4  6  o 877.4000       16.29000      4624.671      64.6   
1 1 1 8  4  7  o 130.8000       2.609000      1509.381      -119.2 
1 1 1 8  4  8  o 108.6000       2.187000      1527.352      -156.6 
1 1 1 8  4  9  o 392.8000       7.727000      2860.170      14.1   
1 1 1 8  4  10 o 113.1000       2.633000      1688.062      -44.8  
1 1 1 8  4  11 o 30.14000       0.8450000     1055.476      -157.3 
1 1 1 8  4  12 o 60.37000       1.803000      1246.414      -80.7  
1 1 1 8  4  13 o 59.37000       1.491000      1353.413      171.1  
1 1 1 8  4  14 o 16.20000       0.6187000     410.9116      32.8   
1 1 1 8  4  15 o 26.12000       0.9664000     222.9067      174.9  
1 1 1 8  4  16 o 132.2000       3.485000      1905.327      -126.8 
1 1 1 8  4  17 o 271.7000       5.856000      2288.740      131.3  
1 1 1 8  4  18 o 113.3000       2.363000      1877.527      37.0   
1 1 1 8  4  19 o 56.97000       1.333000      1464.883      15.0   
1 1 1 8  4  20 o 154.2000       3.169000      1826.267      105.6  
1 1 1 8  4  21 o 5.439000       0.6187000     273.1521      -114.3 
1 1 1 8  4  22 o 374.6000       7.450000      3151.363      161.0  
1 1 1 8  4  23 o 87.10000       1.940000      1526.308      49.7   
1 1 1 8  4  24 o 12.68000       0.7826000     442.2156      120.4  
1 1 1 8  4  25 o 29.52000       1.029000      696.6500      64.6   
1 1 1 8  4  26 o 164.9000       3.453000      1916.119      137.2  
1 1 1 8  4  27 o 56.74000       1.517000      1057.899      77.8   
1 1 1 8  4  28 o 52.49000       1.484000      751.3811      9.3    
1 1 1 8  4  29 o 258.6000       5.289000      2370.761      -74.4  
1 1 1 8  4  30 o 300.3000       6.109000      2152.094      -77.0  
1 1 1 8  4  31 o 125.6000       3.278000      1605.023      40.1   
1 1 1 8  4  32 o 133.5000       3.888000      1488.757      -109.6 
1 1 1 8  4  33 o 166.4000       3.950000      1812.263      -27.5  
1 1 1 8  4  34 o 77.75000       2.582000      1524.652      -18.6  
1 1 1 8  4  35 o 668.8000       18.81000      ?             ?      
1 1 1 8  4  36 o 154.3000       4.441000      1449.281      -18.5  
1 1 1 8  4  37 o 59.28000       2.326000      1123.300      -166.7 
1 1 1 8  4  38 o 125.1000       2.873000      1303.418      -30.3  
1 1 1 8  4  39 o 4.992000       1.174000      203.8935      -42.3  
1 1 1 8  4  40 o 17.39000       1.254000      657.5675      93.3   
1 1 1 8  4  41 o 61.62000       1.769000      1022.385      83.5   
1 1 1 8  4  42 o 31.81000       1.325000      793.0970      129.4  
1 1 1 8  4  43 o 18.14000       1.148000      713.4028      -131.1 
1 1 1 8  4  44 o 41.01000       1.439000      1094.445      -48.7  
1 1 1 8  4  45 o 46.29000       1.520000      1131.850      38.9   
1 1 1 8  4  46 o 13.11000       1.115000      678.1030      -160.3 
1 1 1 8  4  47 o 75.80000       2.027000      1361.471      -37.0  
1 1 1 8  4  48 o 10.35000       1.284000      395.2179      -25.3  
1 1 1 8  4  49 o 87.81000       2.901000      1262.422      -141.9 
1 1 1 8  4  50 o 7.186000       1.218000      366.1815      24.4   
1 1 1 8  4  51 o 17.24000       1.379000      619.7144      17.1   
1 1 1 8  4  52 o 25.86000       1.870000      731.3890      62.4   
1 1 1 8  4  53 o 7.493000       1.608000      340.5333      -128.9 
1 1 1 8  4  54 o 15.22000       1.441000      588.3024      -94.9  
1 1 1 8  4  55 o 4.898000       1.313000      410.5186      58.3   
1 1 1 8  4  56 o 43.96000       2.163000      930.7173      -140.1 
1 1 1 8  4  57 o 7.239000       1.499000      250.9745      -50.9  
1 1 1 8  4  58 o 22.63000       1.617000      744.7431      115.6  
1 1 1 8  4  59 o 7.041000       1.493000      545.0549      -144.6 
1 1 1 8  4  60 o 5.714000       1.430000      396.7917      120.6  
1 1 1 8  4  61 o 7.110000       1.453000      411.1335      -2.4   
1 1 1 8  4  62 o 4.973000       1.443000      ?             ?      
1 1 1 8  4  63 o 25.10000       1.867000      ?             ?      
1 1 1 8  4  64 o 2.687000       1.793000      ?             ?      
1 1 1 8  4  65 o 2.343000       1.477000      ?             ?      
1 1 1 8  4  66 o 12.96000       1.579000      ?             ?      
1 1 1 8  4  67 o 2.350000       1.832000      ?             ?      
1 1 1 8  4  68 o 8.449000       1.667000      ?             ?      
1 1 1 8  4  69 o 3.226000       1.386000      ?             ?      
1 1 1 8  4  70 o 6.151000       1.419000      ?             ?      
1 1 1 8  4  71 o 9.708000       1.438000      ?             ?      
1 1 1 8  4  72 o 3.939000       1.396000      ?             ?      
1 1 1 8  4  73 o 0.3439000      1.385000      ?             ?      
1 1 1 8  4  74 o 1.904000       1.419000      ?             ?      
1 1 1 8  4  75 o 0.9160000      1.428000      ?             ?      
1 1 1 8  4  76 o 2.276000       1.581000      ?             ?      
1 1 1 8  5  0  o 63.57000       1.816000      1597.577      0.0    
1 1 1 8  5  1  o 225.0000       3.807000      2004.290      151.8  
1 1 1 8  5  2  o 83.37000       1.638000      1004.477      -4.9   
1 1 1 8  5  3  o 75.07000       1.388000      570.6107      3.5    
1 1 1 8  5  4  o 110.9000       1.985000      1628.865      -82.9  
1 1 1 8  5  5  o 115.0000       2.187000      1514.095      115.7  
1 1 1 8  5  6  o 192.8000       3.618000      1656.571      -52.4  
1 1 1 8  5  7  o 53.92000       1.455000      1237.175      144.5  
1 1 1 8  5  8  o 128.2000       2.565000      1748.620      160.7  
1 1 1 8  5  9  o 60.45000       1.373000      1198.189      -13.5  
1 1 1 8  5  10 o 79.15000       1.879000      1209.039      -0.8   
1 1 1 8  5  11 o 38.74000       1.209000      1288.876      171.7  
1 1 1 8  5  12 o 42.60000       1.112000      1154.153      -6.2   
1 1 1 8  5  13 o 16.36000       0.5814000     782.0262      176.6  
1 1 1 8  5  14 o 27.20000       0.8030000     649.4855      -110.8 
1 1 1 8  5  15 o 182.8000       4.746000      2075.596      47.9   
1 1 1 8  5  16 o 9.810000       0.6935000     400.7190      -152.0 
1 1 1 8  5  17 o 24.63000       1.009000      881.1024      18.0   
1 1 1 8  5  18 o 11.61000       0.6695000     319.2498      172.4  
1 1 1 8  5  19 o 108.9000       2.294000      1356.539      157.8  
1 1 1 8  5  20 o 70.16000       1.589000      1199.680      124.0  
1 1 1 8  5  21 o 31.45000       0.9417000     608.4828      -133.2 
1 1 1 8  5  22 o 32.42000       1.060000      856.3998      -97.9  
1 1 1 8  5  23 o 118.1000       2.527000      1806.639      -151.3 
1 1 1 8  5  24 o 58.88000       1.467000      1391.904      69.1   
1 1 1 8  5  25 o 127.5000       2.737000      1502.424      -135.4 
1 1 1 8  5  26 o 105.5000       2.355000      1537.295      -167.9 
1 1 1 8  5  27 o 97.65000       2.241000      1505.011      20.7   
1 1 1 8  5  28 o 129.1000       2.827000      1838.403      -13.7  
1 1 1 8  5  29 o 25.33000       1.163000      633.2552      96.9   
1 1 1 8  5  30 o 194.2000       4.713000      2296.140      -23.1  
1 1 1 8  5  31 o 45.32000       2.606000      1141.047      -90.2  
1 1 1 8  5  32 o 58.28000       2.262000      1016.069      -176.7 
1 1 1 8  5  33 o 75.12000       2.050000      1132.889      -51.1  
1 1 1 8  5  34 o 75.62000       2.641000      956.3431      64.4   
1 1 1 8  5  35 o 459.6000       11.93000      2834.575      -157.7 
1 1 1 8  5  36 o 25.04000       1.969000      946.0035      21.0   
1 1 1 8  5  37 o 9.910000       1.408000      222.2157      -77.0  
1 1 1 8  5  38 o 13.79000       1.250000      385.2650      77.3   
1 1 1 8  5  39 o 13.49000       1.135000      567.5558      15.7   
1 1 1 8  5  40 o 38.36000       1.402000      890.6456      -144.4 
1 1 1 8  5  41 o 66.61000       1.838000      1285.176      -56.3  
1 1 1 8  5  42 o 4.765000       1.045000      375.6458      123.4  
1 1 1 8  5  43 o 84.23000       2.130000      1314.629      98.8   
1 1 1 8  5  44 o 14.12000       1.101000      476.7855      -77.1  
1 1 1 8  5  45 o 19.28000       1.175000      688.2276      93.6   
1 1 1 8  5  46 o 13.51000       1.117000      462.9199      -177.1 
1 1 1 8  5  47 o 20.39000       1.279000      595.0408      91.8   
1 1 1 8  5  48 o 1.604000       1.365000      199.5473      158.9  
1 1 1 8  5  49 o 5.851000       1.264000      412.0807      -110.0 
1 1 1 8  5  50 o 16.28000       1.231000      738.6848      171.1  
1 1 1 8  5  51 o 15.79000       1.244000      600.0673      95.4   
1 1 1 8  5  52 o 8.122000       1.443000      555.2264      24.2   
1 1 1 8  5  53 o 13.08000       1.752000      519.4365      160.4  
1 1 1 8  5  54 o 31.29000       1.653000      852.1657      15.0   
1 1 1 8  5  55 o 4.838000       1.496000      282.3156      -42.3  
1 1 1 8  5  56 o 9.079000       1.435000      280.6914      11.4   
1 1 1 8  5  57 o 1.729000       1.350000      157.0929      -72.8  
1 1 1 8  5  58 o 15.69000       1.811000      490.8110      100.5  
1 1 1 8  5  59 o 0.5672000      1.718000      201.8681      -135.3 
1 1 1 8  5  60 o 21.78000       1.586000      716.5049      -141.1 
1 1 1 8  5  61 o 9.272000       1.561000      484.1969      -177.2 
1 1 1 8  5  62 o 6.101000       1.739000      ?             ?      
1 1 1 8  5  63 o 10.73000       1.866000      ?             ?      
1 1 1 8  5  64 o 1.279000       1.597000      ?             ?      
1 1 1 8  5  65 o 3.620000       1.380000      ?             ?      
1 1 1 8  5  66 o 0.3435000E-01  1.364000      ?             ?      
1 1 1 8  5  67 o 2.976000       1.623000      ?             ?      
1 1 1 8  5  68 o 3.211000       1.795000      ?             ?      
1 1 1 8  5  69 o 4.654000       1.499000      ?             ?      
1 1 1 8  5  70 o 0.6108000      1.365000      ?             ?      
1 1 1 8  5  71 o 1.491000       1.380000      ?             ?      
1 1 1 8  5  72 o 1.425000       1.386000      ?             ?      
1 1 1 8  5  73 o 5.468000       1.443000      ?             ?      
1 1 1 8  5  74 o 0.5803000      1.414000      ?             ?      
1 1 1 8  5  75 o 1.687000       1.439000      ?             ?      
1 1 1 8  5  76 o 2.387000       1.684000      ?             ?      
1 1 1 8  6  0  o 13.26000       0.4879000     528.7169      -180.0 
1 1 1 8  6  1  o 118.6000       2.239000      1655.281      179.8  
1 1 1 8  6  2  o 76.36000       1.569000      936.4392      159.9  
1 1 1 8  6  3  o 3.323000       0.2270000     163.5553      -80.5  
1 1 1 8  6  4  o 4.637000       0.3584000     365.0269      -127.0 
1 1 1 8  6  5  o 70.81000       1.562000      988.9488      99.7   
1 1 1 8  6  6  o 14.30000       0.4002000     553.0340      -77.6  
1 1 1 8  6  7  o 2.207000       0.2440000     186.6347      -91.6  
1 1 1 8  6  8  o 93.55000       1.897000      1448.169      110.5  
1 1 1 8  6  9  o 92.62000       2.181000      1462.120      83.8   
1 1 1 8  6  10 o 13.28000       0.5316000     468.9140      -114.3 
1 1 1 8  6  11 o 9.522000       0.5092000     445.5575      100.5  
1 1 1 8  6  12 o 23.44000       0.7171000     753.7974      -116.7 
1 1 1 8  6  13 o 62.69000       1.358000      1203.487      79.1   
1 1 1 8  6  14 f 18.96000       0.6597000     898.2666      163.6  
1 1 1 8  6  15 o 112.3000       2.517000      1641.018      117.4  
1 1 1 8  6  16 o 2.779000       0.6529000     132.2309      169.8  
1 1 1 8  6  17 o 76.71000       2.163000      1449.356      10.3   
1 1 1 8  6  18 o 39.48000       1.121000      856.9406      110.6  
1 1 1 8  6  19 o 9.413000       0.6129000     501.7448      106.3  
1 1 1 8  6  20 o 20.24000       0.7608000     522.6746      9.2    
1 1 1 8  6  21 o 72.21000       1.648000      1337.501      168.8  
1 1 1 8  6  22 o 294.8000       6.385000      2505.878      -162.8 
1 1 1 8  6  23 o 95.50000       2.116000      1274.023      -5.2   
1 1 1 8  6  24 o 122.1000       2.616000      1945.525      -80.4  
1 1 1 8  6  25 o 31.35000       1.068000      629.0225      110.4  
1 1 1 8  6  26 o 187.6000       3.894000      2066.610      127.4  
1 1 1 8  6  27 o 115.7000       2.776000      1719.200      -127.5 
1 1 1 8  6  28 o 213.1000       4.774000      2003.705      -50.4  
1 1 1 8  6  29 o 28.95000       1.343000      188.6208      171.9  
1 1 1 8  6  30 o 48.29000       1.967000      965.7156      -107.8 
1 1 1 8  6  31 o 18.04000       1.579000      594.0897      40.2   
1 1 1 8  6  32 o 15.82000       2.273000      649.7111      -83.0  
1 1 1 8  6  33 o 200.7000       4.302000      2174.484      15.7   
1 1 1 8  6  34 o 17.74000       1.338000      673.2236      -139.7 
1 1 1 8  6  35 o 62.17000       1.973000      1051.100      89.1   
1 1 1 8  6  36 o 154.2000       4.446000      1777.986      -23.5  
1 1 1 8  6  37 o 19.09000       1.666000      697.8834      -139.2 
1 1 1 8  6  38 o 58.20000       1.842000      1047.080      -62.5  
1 1 1 8  6  39 o 4.114000       1.058000      150.7823      129.5  
1 1 1 8  6  40 o 7.966000       1.071000      363.5020      63.6   
1 1 1 8  6  41 o 6.126000       1.054000      462.0825      -29.8  
1 1 1 8  6  42 o 27.40000       1.261000      858.4351      -110.0 
1 1 1 8  6  43 o 58.68000       1.712000      1000.219      127.4  
1 1 1 8  6  44 o 11.36000       1.152000      461.7669      -81.4  
1 1 1 8  6  45 o 16.02000       1.136000      662.1293      53.3   
1 1 1 8  6  46 o 6.540000       1.063000      279.4734      -62.2  
1 1 1 8  6  47 o 6.081000       1.218000      389.7740      -22.7  
1 1 1 8  6  48 o 5.575000       1.397000      201.1492      -136.5 
1 1 1 8  6  49 o 3.546000       1.192000      348.5790      -97.8  
1 1 1 8  6  50 o 22.87000       1.307000      667.8932      3.3    
1 1 1 8  6  51 o 16.28000       1.252000      484.7409      93.6   
1 1 1 8  6  52 o 6.486000       1.309000      371.1344      -22.2  
1 1 1 8  6  53 f 21.30000       1.863000      495.4820      109.1  
1 1 1 8  6  54 o 3.852000       1.472000      206.9635      119.5  
1 1 1 8  6  55 o 37.67000       1.648000      865.7005      96.5   
1 1 1 8  6  56 o 13.24000       1.389000      702.1418      -99.7  
1 1 1 8  6  57 o 25.14000       1.562000      705.3178      77.5   
1 1 1 8  6  58 o 3.195000       1.476000      301.6151      -148.2 
1 1 1 8  6  59 o 0.9167000      1.402000      191.8965      124.7  
1 1 1 8  6  60 o 6.126000       1.797000      403.3074      -27.8  
1 1 1 8  6  61 o 0.9036000      1.727000      ?             ?      
1 1 1 8  6  62 o 1.643000       1.597000      ?             ?      
1 1 1 8  6  63 o 1.641000       1.906000      ?             ?      
1 1 1 8  6  64 o 1.696000       1.664000      ?             ?      
1 1 1 8  6  65 o 0.2948000      1.371000      ?             ?      
1 1 1 8  6  66 o 4.056000       1.387000      ?             ?      
1 1 1 8  6  67 o 8.886000       1.564000      ?             ?      
1 1 1 8  6  68 o 4.463000       1.848000      ?             ?      
1 1 1 8  6  69 o 4.435000       1.603000      ?             ?      
1 1 1 8  6  70 o -0.9472000     1.362000      ?             ?      
1 1 1 8  6  71 o 3.446000       1.369000      ?             ?      
1 1 1 8  6  72 o 3.034000       1.394000      ?             ?      
1 1 1 8  6  73 o -0.9788000     1.402000      ?             ?      
1 1 1 8  6  74 o -0.1475000     1.423000      ?             ?      
1 1 1 8  6  75 o -0.7721000     1.517000      ?             ?      
1 1 1 8  6  76 o 3.819000       1.893000      ?             ?      
1 1 1 8  7  0  o 3.303000       0.2970000     340.5940      -0.0   
1 1 1 8  7  1  o 8.522000       0.2796000     273.6582      76.9   
1 1 1 8  7  2  o 10.40000       0.3100000     187.8753      179.5  
1 1 1 8  7  3  o 29.53000       0.7612000     987.2585      -33.1  
1 1 1 8  7  4  o 6.473000       0.2792000     387.0099      3.2    
1 1 1 8  7  5  o 58.26000       1.469000      1184.432      87.8   
1 1 1 8  7  6  o 0.5882000      0.2174000     252.7852      -110.1 
1 1 1 8  7  7  o 27.22000       0.6908000     857.8571      154.8  
1 1 1 8  7  8  o 60.80000       1.278000      1025.519      144.4  
1 1 1 8  7  9  o 29.54000       0.7929000     785.7000      -71.6  
1 1 1 8  7  10 o 7.614000       0.6422000     557.1716      -123.1 
1 1 1 8  7  11 o 1.803000       0.3559000     224.1324      -149.0 
1 1 1 8  7  12 o 1.086000       0.3481000     221.1383      67.4   
1 1 1 8  7  13 o 5.725000       0.4081000     646.0529      -89.1  
1 1 1 8  7  14 o 43.58000       1.021000      941.8392      124.9  
1 1 1 8  7  15 o 9.046000       0.5448000     157.7310      169.9  
1 1 1 8  7  16 o 8.257000       0.7105000     400.1480      31.8   
1 1 1 8  7  17 o 1.616000       0.6621000     292.5559      -12.9  
1 1 1 8  7  18 o 35.74000       1.133000      1161.732      46.7   
1 1 1 8  7  19 o 7.465000       0.6510000     137.3825      -137.7 
1 1 1 8  7  20 o 0.9157000      0.5810000     256.8351      120.6  
1 1 1 8  7  21 o 79.12000       1.780000      1412.325      118.6  
1 1 1 8  7  22 o 16.06000       0.7816000     705.7526      -157.7 
1 1 1 8  7  23 o 9.021000       0.7513000     354.6019      57.7   
1 1 1 8  7  24 o 45.28000       1.264000      955.1035      23.8   
1 1 1 8  7  25 o 106.1000       2.358000      1735.848      -14.6  
1 1 1 8  7  26 o 20.19000       1.080000      714.4942      -13.4  
1 1 1 8  7  27 o 24.88000       1.188000      620.0659      -139.7 
1 1 1 8  7  28 o 184.3000       3.896000      1974.368      20.5   
1 1 1 8  7  29 o 97.23000       3.841000      1462.503      37.8   
1 1 1 8  7  30 o 26.68000       2.458000      406.4311      29.0   
1 1 1 8  7  31 o 39.41000       2.095000      614.2573      -25.2  
1 1 1 8  7  32 o 5.371000       1.279000      241.8983      120.7  
1 1 1 8  7  33 o 49.07000       1.880000      975.7270      -127.9 
1 1 1 8  7  34 o 83.03000       2.166000      1247.413      177.7  
1 1 1 8  7  35 o 48.39000       1.613000      838.8623      -140.9 
1 1 1 8  7  36 o 10.79000       1.277000      647.4236      71.7   
1 1 1 8  7  37 o 3.303000       1.505000      202.8157      91.6   
1 1 1 8  7  38 o 39.37000       1.565000      1034.853      -7.3   
1 1 1 8  7  39 o 4.287000       1.065000      222.0609      20.2   
1 1 1 8  7  40 o 13.83000       1.118000      538.8759      -53.9  
1 1 1 8  7  41 o 29.95000       1.281000      952.4346      -28.3  
1 1 1 8  7  42 o 58.52000       1.710000      990.2915      153.2  
1 1 1 8  7  43 o 9.299000       1.072000      200.0675      157.4  
1 1 1 8  7  44 o 13.01000       1.097000      512.5535      -121.5 
1 1 1 8  7  45 o 17.90000       1.161000      439.2542      82.0   
1 1 1 8  7  46 o 9.924000       1.158000      569.6367      -172.0 
1 1 1 8  7  47 o 2.293000       1.332000      134.8745      61.3   
1 1 1 8  7  48 o 2.989000       1.232000      223.7272      -10.4  
1 1 1 8  7  49 o 39.42000       1.527000      907.4276      117.6  
1 1 1 8  7  50 o 10.15000       1.187000      489.1704      90.7   
1 1 1 8  7  51 o 1.715000       1.149000      148.3256      -42.3  
1 1 1 8  7  52 o 4.197000       1.214000      275.5027      113.8  
1 1 1 8  7  53 o 5.039000       1.672000      306.3867      -79.0  
1 1 1 8  7  54 o 7.646000       1.756000      397.7141      66.9   
1 1 1 8  7  55 o 6.882000       1.434000      297.1011      -147.3 
1 1 1 8  7  56 o 7.005000       1.346000      381.2563      -120.9 
1 1 1 8  7  57 o 15.48000       1.469000      618.4825      63.6   
1 1 1 8  7  58 f 7.890000       1.427000      342.2235      166.4  
1 1 1 8  7  59 o 0.5652000      1.384000      182.7694      -37.4  
1 1 1 8  7  60 o 15.04000       1.585000      533.9645      -170.1 
1 1 1 8  7  61 o 2.540000       1.497000      ?             ?      
1 1 1 8  7  62 o 2.566000       1.601000      ?             ?      
1 1 1 8  7  63 o 1.091000       1.760000      ?             ?      
1 1 1 8  7  64 o 1.932000       1.593000      ?             ?      
1 1 1 8  7  65 o 2.852000       1.457000      ?             ?      
1 1 1 8  7  66 o 2.510000       1.479000      ?             ?      
1 1 1 8  7  67 o 5.685000       1.410000      ?             ?      
1 1 1 8  7  68 o 4.265000       1.627000      ?             ?      
1 1 1 8  7  69 o 3.308000       1.804000      ?             ?      
1 1 1 8  7  70 o 2.983000       1.483000      ?             ?      
1 1 1 8  7  71 o -0.8624000     1.350000      ?             ?      
1 1 1 8  7  72 o 1.637000       1.384000      ?             ?      
1 1 1 8  7  73 o 0.2753000      1.392000      ?             ?      
1 1 1 8  7  74 o 2.759000       1.437000      ?             ?      
1 1 1 8  7  75 o 4.766000       1.674000      ?             ?      
1 1 1 8  7  76 o 0.3975000      1.860000      ?             ?      
1 1 1 8  8  0  o 1.616000       0.2733000     36.13474      -0.0   
1 1 1 8  8  1  o 16.05000       0.4664000     430.7848      -169.4 
1 1 1 8  8  2  o 1.071000       0.2107000     378.5912      46.8   
1 1 1 8  8  3  o 4.737000       0.2524000     409.4809      -77.3  
1 1 1 8  8  4  o 3.951000       0.3029000     156.8110      89.4   
1 1 1 8  8  5  o 23.04000       0.6082000     757.8309      117.3  
1 1 1 8  8  6  o 8.222000       0.3821000     307.6340      9.0    
1 1 1 8  8  7  o 3.720000       0.2923000     95.20999      -105.8 
1 1 1 8  8  8  o 2.641000       0.2729000     313.7464      78.0   
1 1 1 8  8  9  o 2.915000       0.3122000     498.6902      -121.7 
1 1 1 8  8  10 o 16.28000       0.9735000     745.2336      -81.9  
1 1 1 8  8  11 o 36.46000       0.9694000     1001.615      113.1  
1 1 1 8  8  12 o 31.41000       0.8614000     783.5910      116.5  
1 1 1 8  8  13 o 3.674000       0.3910000     213.8044      0.3    
1 1 1 8  8  14 o 25.14000       0.7053000     634.4622      111.8  
1 1 1 8  8  15 o 1.045000       0.4760000     138.5150      149.3  
1 1 1 8  8  16 o 5.507000       0.5800000     488.7766      59.9   
1 1 1 8  8  17 o 33.48000       1.213000      967.3357      86.9   
1 1 1 8  8  18 o 34.53000       1.268000      896.9838      160.3  
1 1 1 8  8  19 o 7.990000       0.6715000     451.2303      18.5   
1 1 1 8  8  20 o 29.22000       0.9954000     682.6934      15.0   
1 1 1 8  8  21 o 115.2000       2.456000      1599.500      -166.8 
1 1 1 8  8  22 o 69.23000       1.632000      1398.607      -97.9  
1 1 1 8  8  23 o 16.05000       0.8291000     462.5961      41.4   
1 1 1 8  8  24 o 49.39000       1.457000      845.7677      85.0   
1 1 1 8  8  25 o 5.741000       0.8268000     117.2210      158.9  
1 1 1 8  8  26 o 21.78000       1.042000      765.4795      -176.4 
1 1 1 8  8  27 o 8.240000       1.223000      178.3686      165.2  
1 1 1 8  8  28 o 83.66000       2.089000      1089.502      -114.4 
1 1 1 8  8  29 o 60.78000       1.966000      1073.169      -170.2 
1 1 1 8  8  30 o 40.56000       2.301000      842.5532      116.5  
1 1 1 8  8  31 o 39.34000       1.704000      1023.098      -178.7 
1 1 1 8  8  32 o 186.0000       4.316000      1942.621      14.5   
1 1 1 8  8  33 o 58.82000       1.911000      1234.191      -92.6  
1 1 1 8  8  34 o 22.32000       1.258000      662.9404      -167.0 
1 1 1 8  8  35 o 16.47000       1.183000      559.5041      3.1    
1 1 1 8  8  36 o 18.77000       1.285000      682.8869      -83.5  
1 1 1 8  8  37 o 5.819000       1.521000      320.1165      -109.0 
1 1 1 8  8  38 o 0.6675000      1.492000      345.4938      -121.2 
1 1 1 8  8  39 o 27.30000       1.382000      777.4731      75.3   
1 1 1 8  8  40 o 0.9220000      1.040000      74.42281      135.6  
1 1 1 8  8  41 o 1.548000       1.036000      158.5717      41.0   
1 1 1 8  8  42 o 9.826000       1.076000      305.5408      103.8  
1 1 1 8  8  43 o 0.5267000      1.017000      32.04539      -47.7  
1 1 1 8  8  44 o 12.55000       1.107000      587.3727      -54.9  
1 1 1 8  8  45 o 25.42000       1.258000      650.1967      41.4   
1 1 1 8  8  46 o 2.663000       1.170000      303.5715      -162.2 
1 1 1 8  8  47 o 7.053000       1.363000      425.7953      -67.1  
1 1 1 8  8  48 o 6.561000       1.185000      395.2281      -122.2 
1 1 1 8  8  49 o 3.866000       1.133000      166.5609      69.1   
1 1 1 8  8  50 o 3.490000       1.138000      343.1609      -126.7 
1 1 1 8  8  51 o 2.485000       1.163000      102.0128      -47.0  
1 1 1 8  8  52 o 6.711000       1.227000      156.4862      -12.4  
1 1 1 8  8  53 o 21.73000       1.544000      696.3750      160.0  
1 1 1 8  8  54 o 2.633000       1.769000      164.4500      66.9   
1 1 1 8  8  55 o 6.995000       1.561000      483.3562      131.8  
1 1 1 8  8  56 o 3.199000       1.349000      197.8271      -128.2 
1 1 1 8  8  57 o 1.698000       1.364000      210.7639      53.3   
1 1 1 8  8  58 o 11.61000       1.453000      659.5271      155.0  
1 1 1 8  8  59 o 6.128000       1.434000      368.8047      43.0   
1 1 1 8  8  60 o 2.275000       1.403000      229.1547      -84.0  
1 1 1 8  8  61 o 4.558000       1.613000      ?             ?      
1 1 1 8  8  62 o 5.908000       2.622000      ?             ?      
1 1 1 8  8  63 o 5.095000       1.588000      ?             ?      
1 1 1 8  8  64 o 1.721000       1.380000      ?             ?      
1 1 1 8  8  65 o 1.003000       1.645000      ?             ?      
1 1 1 8  8  66 o 1.812000       1.481000      ?             ?      
1 1 1 8  8  67 o 1.391000       1.467000      ?             ?      
1 1 1 8  8  68 o 3.036000       1.607000      ?             ?      
1 1 1 8  8  69 o 1.389000       1.975000      ?             ?      
1 1 1 8  8  70 o 0.5725000      1.483000      ?             ?      
1 1 1 8  8  71 o -0.3607000     1.366000      ?             ?      
1 1 1 8  8  72 o -1.411000      1.386000      ?             ?      
1 1 1 8  8  73 o 5.523000       1.443000      ?             ?      
1 1 1 8  8  74 o 0.3900000      1.422000      ?             ?      
1 1 1 8  8  75 o 2.383000       1.682000      ?             ?      
1 1 1 8  8  76 o 2.631000       1.886000      ?             ?      
1 1 1 8  9  0  o 6.101000       0.3439000     397.4373      0.0    
1 1 1 8  9  1  o 2.503000       0.2054000     116.5367      171.0  
1 1 1 8  9  2  o 5.074000       0.2394000     310.8620      34.7   
1 1 1 8  9  3  o 6.678000       0.3084000     318.7991      129.3  
1 1 1 8  9  4  o 2.189000       0.2515000     337.0394      46.8   
1 1 1 8  9  5  o 1.461000       0.2625000     389.2970      14.6   
1 1 1 8  9  6  o 3.362000       0.2938000     191.2150      -10.8  
1 1 1 8  9  7  o 1.495000       0.2495000     320.4659      48.8   
1 1 1 8  9  8  o 1.698000       0.2783000     302.8424      -94.1  
1 1 1 8  9  9  o 2.653000       0.3226000     475.9692      -115.9 
1 1 1 8  9  10 o 2.518000       0.3352000     248.4764      165.0  
1 1 1 8  9  11 o 6.138000       0.3775000     489.4669      116.9  
1 1 1 8  9  12 o 1.852000       0.3536000     82.54259      -79.3  
1 1 1 8  9  13 o 11.40000       0.4780000     626.2148      -94.7  
1 1 1 8  9  14 o 1.768000       0.4073000     173.1839      16.6   
1 1 1 8  9  15 f 1.188000       0.4367000     56.83648      156.8  
1 1 1 8  9  16 o 6.765000       0.5582000     414.4344      120.4  
1 1 1 8  9  17 o 28.66000       0.9793000     579.9339      -145.6 
1 1 1 8  9  18 o 12.08000       0.8278000     392.5811      43.3   
1 1 1 8  9  19 o 15.58000       0.8442000     565.0657      -159.3 
1 1 1 8  9  20 o 19.21000       0.9060000     405.5227      171.4  
1 1 1 8  9  21 o 60.63000       1.596000      935.4325      116.4  
1 1 1 8  9  22 o 12.01000       0.8674000     471.7039      -84.6  
1 1 1 8  9  23 o 8.284000       0.7444000     338.4543      -21.8  
1 1 1 8  9  24 o 7.004000       1.005000      225.2867      -27.8  
1 1 1 8  9  25 o 7.530000       1.125000      466.8359      51.7   
1 1 1 8  9  26 o 14.01000       0.9627000     645.1615      -93.2  
1 1 1 8  9  27 o 9.781000       1.072000      352.9856      -142.2 
1 1 1 8  9  28 o 74.06000       2.410000      951.7985      25.9   
1 1 1 8  9  29 o 27.61000       1.624000      437.6397      -43.9  
1 1 1 8  9  30 o 8.902000       1.250000      472.7419      -82.1  
1 1 1 8  9  31 o 9.755000       1.165000      211.6419      53.0   
1 1 1 8  9  32 o 1.404000       1.165000      216.7025      174.9  
1 1 1 8  9  33 o 34.76000       1.410000      803.2511      -179.1 
1 1 1 8  9  34 o 29.33000       1.319000      537.4473      -62.3  
1 1 1 8  9  35 o 4.424000       1.077000      382.2168      172.5  
1 1 1 8  9  36 o 6.701000       1.162000      340.7491      20.3   
1 1 1 8  9  37 o 7.624000       1.292000      293.6638      -22.4  
1 1 1 8  9  38 o 15.56000       1.923000      307.4813      53.6   
1 1 1 8  9  39 o 18.91000       1.293000      472.3649      -88.5  
1 1 1 8  9  40 o 5.290000       1.057000      137.4811      -176.2 
1 1 1 8  9  41 o 9.037000       1.072000      323.3753      -34.3  
1 1 1 8  9  42 o 9.552000       1.082000      345.8975      171.9  
1 1 1 8  9  43 o 2.333000       1.018000      306.0750      -155.3 
1 1 1 8  9  44 o 24.75000       1.245000      718.8929      91.5   
1 1 1 8  9  45 o 6.052000       1.106000      244.5855      48.6   
1 1 1 8  9  46 o 1.702000       1.277000      116.1585      51.3   
1 1 1 8  9  47 o 9.880000       1.276000      333.4327      -36.8  
1 1 1 8  9  48 o 5.843000       1.120000      344.9251      91.5   
1 1 1 8  9  49 o 5.185000       1.135000      264.0686      127.8  
1 1 1 8  9  50 o 1.781000       1.132000      72.44162      -48.8  
1 1 1 8  9  51 o 8.743000       1.213000      362.9261      -107.6 
1 1 1 8  9  52 o 4.727000       1.225000      375.6182      7.3    
1 1 1 8  9  53 o 1.350000       1.355000      68.07063      178.8  
1 1 1 8  9  54 o 6.388000       1.838000      295.5958      -145.8 
1 1 1 8  9  55 o 18.05000       2.010000      551.9540      -114.2 
1 1 1 8  9  56 o 3.979000       1.460000      150.7077      -94.3  
1 1 1 8  9  57 o 1.898000       1.368000      180.1617      61.1   
1 1 1 8  9  58 o 7.416000       1.416000      247.6874      141.7  
1 1 1 8  9  59 o 5.818000       1.616000      325.5494      -121.3 
1 1 1 8  9  60 o -0.4959000E-01 1.398000      131.4183      150.1  
1 1 1 8  9  61 o 9.764000       1.671000      ?             ?      
1 1 1 8  9  62 o 3.423000       1.615000      ?             ?      
1 1 1 8  9  63 o 4.754000       1.532000      ?             ?      
1 1 1 8  9  64 o -1.176000      1.360000      ?             ?      
1 1 1 8  9  65 o 0.2226000      1.456000      ?             ?      
1 1 1 8  9  66 o 1.119000       1.359000      ?             ?      
1 1 1 8  9  67 o 0.7675000      1.631000      ?             ?      
1 1 1 8  9  68 o 1.791000       2.114000      ?             ?      
1 1 1 8  9  69 o -0.7805000     2.247000      ?             ?      
1 1 1 8  9  70 o -0.1930000     2.287000      ?             ?      
1 1 1 8  9  71 o 0.9211000      1.395000      ?             ?      
1 1 1 8  9  72 o 0.2657000      1.397000      ?             ?      
1 1 1 8  9  73 o -1.768000      1.403000      ?             ?      
1 1 1 8  9  74 o 2.690000       1.644000      ?             ?      
1 1 1 8  9  75 o 1.558000       1.858000      ?             ?      
1 1 1 8  10 0  o -0.5759000     0.2867000     63.15982      -0.0   
1 1 1 8  10 1  o 0.8835000      0.2148000     50.99699      83.8   
1 1 1 8  10 2  o 0.6305000      0.2168000     219.0452      -147.9 
1 1 1 8  10 3  o 1.884000       0.2302000     181.2622      136.3  
1 1 1 8  10 4  o 1.870000       0.2842000     307.2977      78.3   
1 1 1 8  10 5  o 2.456000       0.2836000     37.07905      152.1  
1 1 1 8  10 6  o -0.1849000     0.2727000     174.9696      40.1   
1 1 1 8  10 7  o 0.4553000      0.2639000     74.27862      3.3    
1 1 1 8  10 8  o 0.3890000      0.2966000     20.53036      41.0   
1 1 1 8  10 9  o 0.1677000      0.2986000     57.61215      34.9   
1 1 1 8  10 10 o 2.643000       0.3142000     278.2753      147.0  
1 1 1 8  10 11 o 0.4208000      0.3214000     139.6909      119.0  
1 1 1 8  10 12 o 2.162000       0.3528000     36.52783      110.3  
1 1 1 8  10 13 o 4.012000       0.3961000     140.1296      -24.0  
1 1 1 8  10 14 o 5.084000       0.4363000     249.5040      -48.6  
1 1 1 8  10 15 o 2.858000       0.4465000     256.8182      -47.7  
1 1 1 8  10 16 o 7.377000       0.5724000     268.4120      146.7  
1 1 1 8  10 17 o 2.861000       0.6139000     135.5461      -67.1  
1 1 1 8  10 18 o 2.178000       0.8072000     49.14471      8.7    
1 1 1 8  10 19 o 4.564000       0.8668000     143.2184      -131.5 
1 1 1 8  10 20 o 5.199000       0.7185000     103.9128      -166.4 
1 1 1 8  10 21 o 23.85000       1.089000      514.7607      -100.7 
1 1 1 8  10 22 o -0.9558000     0.9196000     162.0117      7.5    
1 1 1 8  10 23 o 8.666000       0.7802000     282.1091      -161.0 
1 1 1 8  10 24 o 2.668000       0.7881000     297.3294      120.6  
1 1 1 8  10 25 o 32.80000       1.384000      444.2706      153.8  
1 1 1 8  10 26 o 3.519000       0.8971000     245.9165      -102.4 
1 1 1 8  10 27 o 10.28000       0.9990000     258.1359      -31.6  
1 1 1 8  10 28 o 4.156000       1.105000      150.7103      -165.4 
1 1 1 8  10 29 o 7.959000       1.363000      241.5254      -155.7 
1 1 1 8  10 30 o 34.79000       1.570000      416.2558      74.6   
1 1 1 8  10 31 o 4.346000       1.122000      166.7326      -14.0  
1 1 1 8  10 32 o 26.09000       1.326000      566.6368      -27.5  
1 1 1 8  10 33 o 9.210000       1.137000      377.8859      -22.7  
1 1 1 8  10 34 o 4.298000       1.075000      305.4537      -108.1 
1 1 1 8  10 35 o 11.55000       1.115000      325.5931      -75.0  
1 1 1 8  10 36 o 1.294000       1.045000      241.2016      0.1    
1 1 1 8  10 37 o 4.256000       1.151000      423.1187      168.5  
1 1 1 8  10 38 o 2.196000       1.486000      156.0256      124.5  
1 1 1 8  10 39 o 9.529000       1.538000      368.1377      35.1   
1 1 1 8  10 40 o 4.232000       1.144000      170.7385      76.3   
1 1 1 8  10 41 o 8.629000       1.059000      230.4332      53.3   
1 1 1 8  10 42 o 2.616000       1.014000      107.5127      -139.2 
1 1 1 8  10 43 o 3.785000       1.040000      120.8450      -34.9  
1 1 1 8  10 44 o 0.8268000      1.033000      39.01085      169.5  
1 1 1 8  10 45 o 7.187000       1.193000      254.1332      -138.6 
1 1 1 8  10 46 o 4.631000       1.330000      73.44920      45.7   
1 1 1 8  10 47 o 4.180000       1.158000      178.3820      25.9   
1 1 1 8  10 48 o 2.533000       1.111000      108.3822      -154.1 
1 1 1 8  10 49 o 5.079000       1.144000      192.2273      160.4  
1 1 1 8  10 50 f 1.816000       1.138000      188.5102      -51.1  
1 1 1 8  10 51 o 0.5827000      1.165000      16.49121      63.4   
1 1 1 8  10 52 o 2.811000       1.223000      123.4587      29.2   
1 1 1 8  10 53 o 1.698000       1.230000      59.24986      -84.1  
1 1 1 8  10 54 o -0.4771000     1.395000      119.9508      -110.9 
1 1 1 8  10 55 o 6.516000       1.829000      308.7695      -4.6   
1 1 1 8  10 56 o 2.150000       1.463000      104.5073      -118.1 
1 1 1 8  10 57 o 5.806000       1.398000      180.7637      122.9  
1 1 1 8  10 58 o 0.9736000      1.390000      211.4310      124.2  
1 1 1 8  10 59 o 2.826000       1.403000      107.4532      -47.9  
1 1 1 8  10 60 o 4.067000       1.590000      76.51990      39.8   
1 1 1 8  10 61 o 0.6979000      1.891000      ?             ?      
1 1 1 8  10 62 o 7.431000       1.629000      ?             ?      
1 1 1 8  10 63 o -0.8647000E-01 1.367000      ?             ?      
1 1 1 8  10 64 o 1.948000       1.359000      ?             ?      
1 1 1 8  10 65 o 2.530000       1.362000      ?             ?      
1 1 1 8  10 66 o 3.891000       1.363000      ?             ?      
1 1 1 8  10 67 o 1.121000       1.426000      ?             ?      
1 1 1 8  10 68 o -0.9910000     1.434000      ?             ?      
1 1 1 8  10 69 o 2.399000       2.124000      ?             ?      
1 1 1 8  10 70 o 2.479000       2.008000      ?             ?      
1 1 1 8  10 71 o -0.9363000E-01 1.543000      ?             ?      
1 1 1 8  10 72 o -0.3536000     1.511000      ?             ?      
1 1 1 8  10 73 o 1.880000       1.460000      ?             ?      
1 1 1 8  10 74 o -1.911000      1.641000      ?             ?      
1 1 1 8  10 75 o 0.6256000      1.678000      ?             ?      
1 1 1 8  11 0  o 0.4738000      0.3055000     25.57382      180.0  
1 1 1 8  11 1  o 0.2643000      0.2224000     41.54681      142.9  
1 1 1 8  11 2  o -0.2665000     0.2287000     196.3120      -156.0 
1 1 1 8  11 3  o 0.8934000      0.2312000     180.8926      -24.8  
1 1 1 8  11 4  o 0.9577000      0.2493000     37.13775      74.8   
1 1 1 8  11 5  o 0.2649000      0.2887000     143.2390      -92.0  
1 1 1 8  11 6  o 0.8278000      0.3358000     196.3675      -68.3  
1 1 1 8  11 7  o 0.1814000      0.2855000     94.61224      -78.6  
1 1 1 8  11 8  o -0.5435000E-02 0.2965000     134.6106      166.7  
1 1 1 8  11 9  o 0.6852000      0.3129000     128.6986      -167.4 
1 1 1 8  11 10 o 0.1616000      0.3055000     118.4363      93.5   
1 1 1 8  11 11 o 1.178000       0.3250000     263.7718      -67.1  
1 1 1 8  11 12 o 1.096000       0.3532000     152.8262      -34.9  
1 1 1 8  11 13 o 0.8719000      0.3775000     115.2911      129.3  
1 1 1 8  11 14 o 1.546000       0.4116000     122.1022      94.9   
1 1 1 8  11 15 o 0.9810000      0.4450000     120.2027      176.6  
1 1 1 8  11 16 o 3.579000       0.7368000     146.3161      88.4   
1 1 1 8  11 17 o 11.09000       0.9472000     285.1892      -73.3  
1 1 1 8  11 18 o -0.3450000     0.6592000     266.1420      141.4  
1 1 1 8  11 19 o 5.752000       0.8322000     330.8531      28.8   
1 1 1 8  11 20 o 5.585000       0.9320000     165.0053      -120.4 
1 1 1 8  11 21 o 1.489000       0.7509000     169.0881      -158.3 
1 1 1 8  11 22 o 11.96000       0.8460000     368.2351      8.7    
1 1 1 8  11 23 o 3.145000       0.8511000     165.5885      152.0  
1 1 1 8  11 24 o 4.974000       0.8162000     164.0627      132.7  
1 1 1 8  11 25 o 9.072000       0.8951000     350.8556      -119.4 
1 1 1 8  11 26 o 35.72000       1.790000      634.8455      61.0   
1 1 1 8  11 27 o 2.620000       1.041000      256.1058      65.3   
1 1 1 8  11 28 o 23.05000       1.519000      413.5258      48.9   
1 1 1 8  11 29 o 2.876000       1.165000      301.8185      -22.6  
1 1 1 8  11 30 o 2.847000       1.097000      346.4505      89.7   
1 1 1 8  11 31 o 11.48000       1.185000      401.0092      -88.6  
1 1 1 8  11 32 o 1.860000       1.073000      99.95005      138.0  
1 1 1 8  11 33 o 8.397000       1.098000      329.7209      159.4  
1 1 1 8  11 34 o 2.550000       1.048000      162.5724      -133.1 
1 1 1 8  11 35 o 4.948000       1.055000      175.2794      -88.7  
1 1 1 8  11 36 o 8.951000       1.091000      238.6125      -25.3  
1 1 1 8  11 37 o 3.740000       1.145000      165.9958      117.0  
1 1 1 8  11 38 o 16.26000       1.388000      398.8525      -4.0   
1 1 1 8  11 39 o 2.812000       1.492000      203.4369      137.5  
1 1 1 8  11 40 o 5.075000       1.145000      341.6787      161.7  
1 1 1 8  11 41 o 6.491000       1.045000      365.8527      -77.3  
1 1 1 8  11 42 o 4.516000       1.030000      243.6633      -64.1  
1 1 1 8  11 43 o 5.199000       1.041000      367.2952      -56.9  
1 1 1 8  11 44 o 6.305000       1.072000      272.9173      -31.7  
1 1 1 8  11 45 o -0.1552000     1.281000      51.31563      -87.5  
1 1 1 8  11 46 o -0.4886000     1.205000      180.6203      0.7    
1 1 1 8  11 47 o 2.836000       1.098000      196.2531      24.9   
1 1 1 8  11 48 o 7.456000       1.149000      359.3912      -159.9 
1 1 1 8  11 49 o 1.880000       1.126000      181.5561      -30.9  
1 1 1 8  11 50 o 2.754000       1.155000      166.5173      60.2   
1 1 1 8  11 51 o 3.561000       1.183000      82.18497      153.1  
1 1 1 8  11 52 o 12.71000       1.291000      390.2572      92.2   
1 1 1 8  11 53 o 0.7377000      1.243000      154.5332      -99.0  
1 1 1 8  11 54 o -1.573000      1.381000      74.10405      11.9   
1 1 1 8  11 55 o 4.605000       1.895000      291.1877      -38.3  
1 1 1 8  11 56 o 3.464000       1.880000      183.1199      148.3  
1 1 1 8  11 57 o 3.545000       1.468000      112.6463      -40.9  
1 1 1 8  11 58 o 0.8890000      1.386000      73.75803      80.2   
1 1 1 8  11 59 o 2.696000       1.399000      137.0115      -19.5  
1 1 1 8  11 60 o 1.634000       1.601000      ?             ?      
1 1 1 8  11 61 o 3.994000       1.640000      ?             ?      
1 1 1 8  11 62 o 1.317000       1.384000      ?             ?      
1 1 1 8  11 63 o 1.098000       1.360000      ?             ?      
1 1 1 8  11 64 o 1.463000       1.366000      ?             ?      
1 1 1 8  11 65 o 5.076000       1.359000      ?             ?      
1 1 1 8  11 66 o 0.9138000      1.339000      ?             ?      
1 1 1 8  11 67 o 1.333000       1.325000      ?             ?      
1 1 1 8  11 68 o -0.8265000     1.340000      ?             ?      
1 1 1 8  11 69 o 2.262000       1.607000      ?             ?      
1 1 1 8  11 70 o 0.5397000      2.360000      ?             ?      
1 1 1 8  11 71 o 1.357000       2.001000      ?             ?      
1 1 1 8  11 72 o 0.6728000      1.710000      ?             ?      
1 1 1 8  11 73 o 0.7055000E-01  1.797000      ?             ?      
1 1 1 8  11 74 o 0.6749000E-01  1.807000      ?             ?      
1 1 1 8  11 75 o 0.1499000      1.852000      ?             ?      
1 1 1 8  12 0  o 1.853000       0.3543000     348.4709      -0.0   
1 1 1 8  12 1  o 0.3647000      0.2356000     216.4374      150.1  
1 1 1 8  12 2  o 1.538000       0.2471000     332.4038      61.5   
1 1 1 8  12 3  o 1.260000       0.2648000     137.9071      -36.5  
1 1 1 8  12 4  o 6.587000       0.3499000     528.8611      -12.3  
1 1 1 8  12 5  o 1.205000       0.3031000     204.9576      -88.5  
1 1 1 8  12 6  o 0.1160000      0.3419000     123.9965      160.4  
1 1 1 8  12 7  o 0.5634000      0.3656000     90.50643      -17.4  
1 1 1 8  12 8  o 5.288000       0.3611000     551.8592      -3.6   
1 1 1 8  12 9  f 1.113000       0.3143000     92.00021      120.2  
1 1 1 8  12 10 o 3.264000       0.3390000     334.0647      32.4   
1 1 1 8  12 11 o 1.675000       0.3326000     280.0772      114.9  
1 1 1 8  12 12 o 0.6681000      0.3546000     119.3844      86.1   
1 1 1 8  12 13 o 3.686000       0.4789000     320.9473      85.6   
1 1 1 8  12 14 o 1.379000       0.4870000     99.28909      -176.0 
1 1 1 8  12 15 o 6.201000       0.5029000     453.6568      168.6  
1 1 1 8  12 16 o 23.07000       1.140000      729.6770      45.3   
1 1 1 8  12 17 o 16.04000       0.9919000     738.0512      159.8  
1 1 1 8  12 18 o 3.757000       0.6932000     135.7909      47.2   
1 1 1 8  12 19 o 9.920000       0.9660000     289.8159      104.8  
1 1 1 8  12 20 o 9.668000       1.055000      476.4664      -132.8 
1 1 1 8  12 21 o 14.37000       0.9090000     402.0740      133.3  
1 1 1 8  12 22 o 9.278000       1.224000      444.1117      -128.5 
1 1 1 8  12 23 o 16.92000       1.007000      537.6600      127.1  
1 1 1 8  12 24 o 14.51000       1.031000      311.5196      -178.9 
1 1 1 8  12 25 o 7.780000       0.8972000     438.3396      178.8  
1 1 1 8  12 26 o 37.26000       1.781000      834.3865      165.9  
1 1 1 8  12 27 o 8.731000       1.115000      350.2621      -144.9 
1 1 1 8  12 28 o 29.91000       1.637000      689.7420      -40.5  
1 1 1 8  12 29 o 10.59000       1.192000      656.3125      135.6  
1 1 1 8  12 30 o 3.098000       1.090000      342.2583      103.0  
1 1 1 8  12 31 o 3.473000       1.096000      257.2042      -55.4  
1 1 1 8  12 32 o 26.04000       1.253000      625.9188      -50.0  
1 1 1 8  12 33 o 6.332000       1.069000      333.8284      -143.9 
1 1 1 8  12 34 o 4.975000       1.056000      274.3776      -87.1  
1 1 1 8  12 35 o 3.320000       1.043000      245.0439      -102.7 
1 1 1 8  12 36 o 11.75000       1.111000      402.5619      -59.6  
1 1 1 8  12 37 o 5.568000       1.051000      234.9254      89.7   
1 1 1 8  12 38 o 6.409000       1.159000      291.8463      1.5    
1 1 1 8  12 39 o 3.400000       1.417000      252.4679      90.1   
1 1 1 8  12 40 o 4.114000       1.276000      190.2107      101.4  
1 1 1 8  12 41 o 6.741000       1.146000      411.1059      -2.7   
1 1 1 8  12 42 o 4.814000       1.041000      154.0241      58.4   
1 1 1 8  12 43 o 1.489000       1.026000      274.9173      141.3  
1 1 1 8  12 44 o 10.04000       1.213000      266.0814      -107.4 
1 1 1 8  12 45 o 5.109000       1.384000      238.6539      30.4   
1 1 1 8  12 46 o 9.002000       1.282000      414.3213      63.5   
1 1 1 8  12 47 o 4.427000       1.103000      107.0422      -116.2 
1 1 1 8  12 48 o 0.9690000      1.108000      66.56348      -141.6 
1 1 1 8  12 49 o 6.178000       1.166000      256.6992      112.6  
1 1 1 8  12 50 o 3.566000       1.161000      133.7385      -54.0  
1 1 1 8  12 51 o 2.509000       1.182000      169.2652      -105.1 
1 1 1 8  12 52 o 4.460000       1.236000      201.7024      -95.9  
1 1 1 8  12 53 o 1.670000       1.252000      64.99559      -162.9 
1 1 1 8  12 54 o 4.108000       1.300000      185.0635      6.3    
1 1 1 8  12 55 o 3.401000       1.458000      258.4087      -70.1  
1 1 1 8  12 56 o 2.432000       1.821000      137.7979      9.1    
1 1 1 8  12 57 o 0.2534000      1.461000      222.7431      109.8  
1 1 1 8  12 58 o 0.2997000      1.386000      133.0026      15.7   
1 1 1 8  12 59 o 2.035000       1.582000      51.23011      58.9   
1 1 1 8  12 60 o 5.478000       1.815000      ?             ?      
1 1 1 8  12 61 o 6.643000       1.638000      ?             ?      
1 1 1 8  12 62 o -1.095000      1.362000      ?             ?      
1 1 1 8  12 63 o 2.377000       1.362000      ?             ?      
1 1 1 8  12 64 o -1.386000      1.323000      ?             ?      
1 1 1 8  12 65 o 4.674000       1.470000      ?             ?      
1 1 1 8  12 66 o 0.8720000E-01  1.331000      ?             ?      
1 1 1 8  12 67 o 2.024000       1.340000      ?             ?      
1 1 1 8  12 68 o 0.4792000      1.328000      ?             ?      
1 1 1 8  12 69 o 3.654000       1.399000      ?             ?      
1 1 1 8  12 70 o 1.825000       1.635000      ?             ?      
1 1 1 8  12 71 o 4.760000       2.606000      ?             ?      
1 1 1 8  12 72 o -0.1702000     1.620000      ?             ?      
1 1 1 8  12 73 o 0.3004000      1.613000      ?             ?      
1 1 1 8  12 74 o 1.682000       1.815000      ?             ?      
1 1 1 8  12 75 o 2.470000       2.355000      ?             ?      
1 1 1 8  13 0  o 0.5707000E-01  0.3717000     182.0959      -0.0   
1 1 1 8  13 1  o 4.048000       0.2748000     363.9206      -176.0 
1 1 1 8  13 2  o 3.326000       0.2724000     364.6709      83.0   
1 1 1 8  13 3  o 15.51000       0.4390000     731.4012      77.6   
1 1 1 8  13 4  o 4.394000       0.3117000     398.0946      -3.4   
1 1 1 8  13 5  o 3.231000       0.3757000     257.6700      -103.4 
1 1 1 8  13 6  o 1.219000       0.3753000     256.6902      -156.0 
1 1 1 8  13 7  o 0.4122000      0.3623000     142.0407      179.7  
1 1 1 8  13 8  o 15.70000       0.5803000     706.5799      -98.8  
1 1 1 8  13 9  o -0.5688000     0.3413000     222.9614      66.7   
1 1 1 8  13 10 o 8.775000       0.4044000     401.4532      25.1   
1 1 1 8  13 11 o 0.3583000      0.4260000     292.0337      -135.6 
1 1 1 8  13 12 o 3.666000       0.3832000     444.2732      -104.3 
1 1 1 8  13 13 o 6.461000       0.5436000     388.3133      25.6   
1 1 1 8  13 14 o 8.569000       0.7179000     426.9298      128.8  
1 1 1 8  13 15 o 99.93000       2.653000      1655.515      -174.3 
1 1 1 8  13 16 o 9.533000       0.5858000     641.5911      -127.1 
1 1 1 8  13 17 o 72.46000       1.776000      1100.187      1.7    
1 1 1 8  13 18 o 18.75000       0.9265000     731.4456      170.8  
1 1 1 8  13 19 o 22.90000       1.010000      765.3458      81.7   
1 1 1 8  13 20 o 33.76000       1.349000      759.1725      160.1  
1 1 1 8  13 21 o 64.15000       2.088000      1065.276      -45.8  
1 1 1 8  13 22 o 10.20000       0.8946000     713.9747      -120.8 
1 1 1 8  13 23 o 20.91000       0.9564000     749.6615      -109.1 
1 1 1 8  13 24 o 3.982000       0.8372000     135.7521      -163.9 
1 1 1 8  13 25 o 45.73000       1.535000      1130.025      -85.4  
1 1 1 8  13 26 o 28.22000       1.300000      771.2228      51.1   
1 1 1 8  13 27 o 19.22000       1.416000      581.2420      21.6   
1 1 1 8  13 28 o 8.905000       1.214000      329.5256      -145.0 
1 1 1 8  13 29 o 12.75000       1.142000      673.3719      -129.6 
1 1 1 8  13 30 o 33.03000       1.534000      797.6841      36.7   
1 1 1 8  13 31 o 15.19000       1.128000      428.3788      98.4   
1 1 1 8  13 32 o 16.51000       1.146000      437.6542      44.7   
1 1 1 8  13 33 o 9.498000       1.078000      367.1678      118.1  
1 1 1 8  13 34 o 19.82000       1.168000      638.3694      50.0   
1 1 1 8  13 35 o 14.53000       1.110000      431.2243      -68.9  
1 1 1 8  13 36 o 7.543000       1.063000      367.1488      -115.5 
1 1 1 8  13 37 o 2.464000       1.017000      30.91191      52.1   
1 1 1 8  13 38 o 4.153000       1.123000      265.6281      74.0   
1 1 1 8  13 39 o 14.52000       1.330000      608.2261      -164.7 
1 1 1 8  13 40 o 12.66000       1.567000      468.4043      52.6   
1 1 1 8  13 41 o 28.67000       1.408000      690.2229      -38.6  
1 1 1 8  13 42 o 7.794000       1.076000      377.4852      -152.6 
1 1 1 8  13 43 o 12.84000       1.126000      544.3777      -31.5  
1 1 1 8  13 44 o 4.977000       1.193000      184.0643      -18.9  
1 1 1 8  13 45 o 8.088000       1.254000      496.4463      -114.7 
1 1 1 8  13 46 o 2.258000       1.095000      250.9646      -6.4   
1 1 1 8  13 47 o 7.212000       1.120000      410.8479      -9.7   
1 1 1 8  13 48 o 8.136000       1.152000      257.0284      17.0   
1 1 1 8  13 49 o 10.79000       1.201000      446.5480      20.6   
1 1 1 8  13 50 o 4.292000       1.164000      201.5570      31.7   
1 1 1 8  13 51 o 13.85000       1.271000      400.2813      -7.8   
1 1 1 8  13 52 o 5.911000       1.255000      291.1712      89.9   
1 1 1 8  13 53 o 18.12000       1.392000      440.3319      -103.5 
1 1 1 8  13 54 o 3.883000       1.301000      242.8385      -52.4  
1 1 1 8  13 55 o 6.307000       1.705000      328.8755      -114.4 
1 1 1 8  13 56 o 8.004000       1.965000      402.2190      145.2  
1 1 1 8  13 57 o 5.448000       1.921000      210.2448      54.3   
1 1 1 8  13 58 o -0.7638000     1.483000      52.49646      -147.1 
1 1 1 8  13 59 o 0.6221000      1.587000      112.8020      -150.4 
1 1 1 8  13 60 o 0.4178000      1.589000      ?             ?      
1 1 1 8  13 61 o 2.340000       1.413000      ?             ?      
1 1 1 8  13 62 o 3.753000       1.396000      ?             ?      
1 1 1 8  13 63 o 3.935000       1.360000      ?             ?      
1 1 1 8  13 64 o -2.263000      1.320000      ?             ?      
1 1 1 8  13 65 o 1.158000       1.328000      ?             ?      
1 1 1 8  13 66 o -0.1536000     1.337000      ?             ?      
1 1 1 8  13 67 o 1.626000       1.322000      ?             ?      
1 1 1 8  13 68 o 3.071000       1.353000      ?             ?      
1 1 1 8  13 69 o 1.560000       1.360000      ?             ?      
1 1 1 8  13 70 o 3.761000       1.525000      ?             ?      
1 1 1 8  13 71 o 4.976000       1.865000      ?             ?      
1 1 1 8  13 72 o 0.3783000      1.830000      ?             ?      
1 1 1 8  13 73 o 1.019000       2.792000      ?             ?      
1 1 1 8  13 74 o 0.3555000      1.641000      ?             ?      
1 1 1 8  13 75 o 0.3641000      1.471000      ?             ?      
1 1 1 8  14 0  o 4.051000       0.4186000     289.5388      180.0  
1 1 1 8  14 1  o 3.041000       0.2853000     165.0359      -56.7  
1 1 1 8  14 2  o 3.725000       0.2903000     414.0236      -28.0  
1 1 1 8  14 3  o 7.022000       0.3328000     525.8436      -33.9  
1 1 1 8  14 4  o 20.79000       0.5959000     757.6933      -32.4  
1 1 1 8  14 5  o 3.382000       0.3323000     343.0016      62.4   
1 1 1 8  14 6  o 4.280000       0.4266000     274.4991      -137.1 
1 1 1 8  14 7  o 36.58000       1.133000      1121.007      -9.6   
1 1 1 8  14 8  o 1.126000       0.4803000     200.0042      -153.3 
1 1 1 8  14 9  o 11.51000       0.5743000     334.9085      69.3   
1 1 1 8  14 10 o 4.190000       0.3624000     151.7177      -22.3  
1 1 1 8  14 11 o 67.99000       1.850000      1562.943      36.7   
1 1 1 8  14 12 o 18.30000       0.7417000     699.9026      105.6  
1 1 1 8  14 13 o 0.3912000      0.3882000     245.9249      -98.8  
1 1 1 8  14 14 o 24.68000       0.9558000     945.4227      124.6  
1 1 1 8  14 15 o 31.20000       1.059000      1013.999      151.8  
1 1 1 8  14 16 o 86.17000       1.869000      1251.344      39.5   
1 1 1 8  14 17 o 30.98000       1.034000      930.3459      162.1  
1 1 1 8  14 18 o 9.937000       1.023000      724.2143      8.2    
1 1 1 8  14 19 o 45.49000       1.645000      999.1569      132.2  
1 1 1 8  14 20 o 30.64000       1.351000      783.1143      -20.1  
1 1 1 8  14 21 o 3.852000       0.8380000     585.2023      -87.0  
1 1 1 8  14 22 o 1.801000       0.9551000     338.7232      -34.4  
1 1 1 8  14 23 o 5.042000       0.9250000     345.0427      117.1  
1 1 1 8  14 24 o 8.494000       0.9714000     475.3356      54.1   
1 1 1 8  14 25 o 61.84000       1.774000      1059.711      -111.5 
1 1 1 8  14 26 o 4.862000       1.072000      156.4452      -130.9 
1 1 1 8  14 27 o 52.18000       2.061000      1013.206      -37.7  
1 1 1 8  14 28 o 64.15000       2.345000      879.0175      -88.1  
1 1 1 8  14 29 o 7.339000       1.122000      511.0635      128.5  
1 1 1 8  14 30 o 5.255000       1.081000      336.4490      -78.2  
1 1 1 8  14 31 o 26.63000       1.237000      341.2575      -139.1 
1 1 1 8  14 32 o 16.39000       1.132000      620.1557      -66.3  
1 1 1 8  14 33 o 25.43000       1.220000      839.2899      127.0  
1 1 1 8  14 34 f 8.640000       1.071000      320.8209      -46.7  
1 1 1 8  14 35 o 6.978000       1.052000      277.5199      -123.2 
1 1 1 8  14 36 o 53.53000       1.608000      992.2675      -25.3  
1 1 1 8  14 37 o 28.55000       1.251000      683.0663      175.9  
1 1 1 8  14 38 o 26.77000       1.233000      818.9184      -105.3 
1 1 1 8  14 39 o 24.57000       1.342000      640.7409      105.0  
1 1 1 8  14 40 o 3.413000       1.434000      267.8013      -49.2  
1 1 1 8  14 41 o 26.34000       1.512000      711.5389      -49.0  
1 1 1 8  14 42 o 20.13000       1.294000      704.2493      45.9   
1 1 1 8  14 43 o 21.37000       1.349000      764.5402      -151.3 
1 1 1 8  14 44 o 18.04000       1.535000      510.1453      51.1   
1 1 1 8  14 45 o 19.11000       1.364000      545.2756      48.4   
1 1 1 8  14 46 o 14.74000       1.180000      625.7119      36.9   
1 1 1 8  14 47 o 24.28000       1.291000      599.5464      152.8  
1 1 1 8  14 48 o 13.20000       1.198000      475.2941      113.6  
1 1 1 8  14 49 o 19.75000       1.284000      663.0820      95.8   
1 1 1 8  14 50 o 5.639000       1.167000      145.7166      -73.5  
1 1 1 8  14 51 o 5.271000       1.196000      271.2544      -112.3 
1 1 1 8  14 52 o 3.296000       1.223000      358.1394      -13.8  
1 1 1 8  14 53 o 1.450000       1.255000      95.20454      -48.4  
1 1 1 8  14 54 o 20.39000       1.438000      672.7555      -117.4 
1 1 1 8  14 55 o 8.629000       1.368000      438.8860      -77.1  
1 1 1 8  14 56 o 2.331000       1.497000      155.5844      -25.7  
1 1 1 8  14 57 o 6.673000       1.899000      382.8653      -82.0  
1 1 1 8  14 58 o 4.125000       1.615000      305.7245      -69.6  
1 1 1 8  14 59 o 3.950000       1.797000      225.0161      -172.1 
1 1 1 8  14 60 o 4.291000       1.588000      ?             ?      
1 1 1 8  14 61 o 0.5313000      1.365000      ?             ?      
1 1 1 8  14 62 o 8.498000       1.424000      ?             ?      
1 1 1 8  14 63 o 0.3974000      1.347000      ?             ?      
1 1 1 8  14 64 o 1.150000       1.342000      ?             ?      
1 1 1 8  14 65 o 7.128000       1.382000      ?             ?      
1 1 1 8  14 66 f 3.902000       1.345000      ?             ?      
1 1 1 8  14 67 o -1.127000      1.330000      ?             ?      
1 1 1 8  14 68 o 1.319000       1.356000      ?             ?      
1 1 1 8  14 69 o 1.022000       1.367000      ?             ?      
1 1 1 8  14 70 o -1.014000      1.482000      ?             ?      
1 1 1 8  14 71 o 1.595000       1.841000      ?             ?      
1 1 1 8  14 72 o 0.1032000      2.427000      ?             ?      
1 1 1 8  14 73 o 2.743000       2.280000      ?             ?      
1 1 1 8  14 74 f 1.744000       1.456000      ?             ?      
1 1 1 8  15 0  o 5.363000       0.4668000     212.2873      -0.0   
1 1 1 8  15 1  o 1.273000       0.2974000     123.1487      -146.0 
1 1 1 8  15 2  o 27.02000       0.6413000     1040.377      90.0   
1 1 1 8  15 3  o 6.019000       0.3374000     78.28837      97.7   
1 1 1 8  15 4  o 6.200000       0.3638000     159.5878      -73.1  
1 1 1 8  15 5  o 2.299000       0.3880000     211.2316      90.4   
1 1 1 8  15 6  o 13.78000       0.5743000     569.9860      22.6   
1 1 1 8  15 7  o 1.903000       0.4490000     398.6295      108.7  
1 1 1 8  15 8  o 3.722000       0.4971000     536.1428      87.5   
1 1 1 8  15 9  o 52.77000       1.499000      955.8536      -49.8  
1 1 1 8  15 10 o 16.71000       0.5509000     761.7632      126.1  
1 1 1 8  15 11 o 86.66000       1.965000      1408.214      -160.8 
1 1 1 8  15 12 o 68.68000       1.535000      1090.881      23.1   
1 1 1 8  15 13 o 8.801000       0.4882000     289.9078      59.8   
1 1 1 8  15 14 o 95.97000       2.030000      957.2299      132.3  
1 1 1 8  15 15 o 275.9000       5.510000      2413.037      -172.4 
1 1 1 8  15 16 o 187.9000       3.813000      2224.539      -64.3  
1 1 1 8  15 17 o 165.8000       3.398000      1831.081      29.3   
1 1 1 8  15 18 o 2.722000       0.6773000     370.1526      41.3   
1 1 1 8  15 19 o 35.31000       1.232000      1061.938      121.9  
1 1 1 8  15 20 o 188.2000       4.493000      2024.535      -172.1 
1 1 1 8  15 21 o 39.17000       1.531000      982.2170      -57.8  
1 1 1 8  15 22 o 10.68000       1.252000      485.3642      139.4  
1 1 1 8  15 23 o 142.5000       3.323000      1525.292      76.6   
1 1 1 8  15 24 o 148.2000       3.174000      1637.095      -40.0  
1 1 1 8  15 25 o 52.26000       1.673000      1217.984      -115.9 
1 1 1 8  15 26 o 23.73000       1.469000      927.8669      -19.8  
1 1 1 8  15 27 o 55.81000       1.852000      1343.852      -67.8  
1 1 1 8  15 28 o 73.97000       1.966000      980.7666      55.9   
1 1 1 8  15 29 o 65.72000       1.832000      1103.636      -23.6  
1 1 1 8  15 30 o 10.68000       1.060000      712.5366      70.1   
1 1 1 8  15 31 o 88.47000       2.380000      1336.033      59.3   
1 1 1 8  15 32 o 24.28000       1.210000      566.9416      160.4  
1 1 1 8  15 33 o 25.16000       1.224000      541.3160      -45.1  
1 1 1 8  15 34 o 37.98000       1.378000      1159.594      -19.7  
1 1 1 8  15 35 f 29.51000       1.256000      608.0708      36.5   
1 1 1 8  15 36 o 7.026000       1.035000      242.2731      -77.1  
1 1 1 8  15 37 o 14.90000       1.089000      710.3023      -36.8  
1 1 1 8  15 38 o 42.82000       1.460000      1106.163      -84.4  
1 1 1 8  15 39 o 15.57000       1.226000      606.5552      52.9   
1 1 1 8  15 40 o 4.885000       1.241000      344.0968      92.4   
1 1 1 8  15 41 o 66.59000       2.572000      1108.819      -94.9  
1 1 1 8  15 42 o 2.878000       1.141000      277.9814      -19.0  
1 1 1 8  15 43 o 21.13000       1.371000      544.4099      5.4    
1 1 1 8  15 44 o 19.93000       1.368000      618.9736      38.9   
1 1 1 8  15 45 o 19.67000       1.216000      726.2733      139.3  
1 1 1 8  15 46 o 11.92000       1.152000      618.9861      -113.2 
1 1 1 8  15 47 o 11.74000       1.156000      370.0877      150.1  
1 1 1 8  15 48 o 14.51000       1.202000      503.3747      174.4  
1 1 1 8  15 49 o 19.21000       1.276000      474.2784      -48.4  
1 1 1 8  15 50 o 4.279000       1.154000      257.5714      144.4  
1 1 1 8  15 51 o 1.439000       1.175000      140.7858      171.5  
1 1 1 8  15 52 o 3.771000       1.227000      313.5937      -108.8 
1 1 1 8  15 53 o 11.70000       1.318000      489.7769      -77.3  
1 1 1 8  15 54 o 7.839000       1.316000      269.9398      -92.2  
1 1 1 8  15 55 o 4.713000       1.335000      254.1699      -115.5 
1 1 1 8  15 56 o 68.06000       2.362000      ?             ?      
1 1 1 8  15 57 o 5.080000       1.978000      244.7881      121.3  
1 1 1 8  15 58 o 5.783000       2.615000      332.0428      -65.1  
1 1 1 8  15 59 f -0.4151000     1.773000      ?             ?      
1 1 1 8  15 60 o 1.680000       1.385000      ?             ?      
1 1 1 8  15 61 o 2.853000       1.363000      ?             ?      
1 1 1 8  15 62 o 2.947000       1.366000      ?             ?      
1 1 1 8  15 63 o 8.640000       1.391000      ?             ?      
1 1 1 8  15 64 o 2.315000       1.347000      ?             ?      
1 1 1 8  15 65 o 5.590000       1.370000      ?             ?      
1 1 1 8  15 66 o 0.6544000      1.332000      ?             ?      
1 1 1 8  15 67 o 8.541000       1.389000      ?             ?      
1 1 1 8  15 68 o -0.6116000     1.339000      ?             ?      
1 1 1 8  15 69 o 1.128000       1.352000      ?             ?      
1 1 1 8  15 70 o 0.6989000      1.365000      ?             ?      
1 1 1 8  15 71 o 0.4841000      1.605000      ?             ?      
1 1 1 8  15 72 o -0.7812000     2.398000      ?             ?      
1 1 1 8  15 73 o 4.314000       2.841000      ?             ?      
1 1 1 8  15 74 o 1.997000       1.424000      ?             ?      
1 1 1 8  16 0  o 11.87000       0.6062000     576.1259      -0.0   
1 1 1 8  16 1  o 2.367000       0.3395000     176.9839      86.1   
1 1 1 8  16 2  o 135.7000       2.820000      1403.841      -86.4  
1 1 1 8  16 3  o 22.94000       0.7030000     808.1905      15.3   
1 1 1 8  16 4  o 11.41000       0.4587000     517.0027      46.5   
1 1 1 8  16 5  o 6.193000       0.5956000     483.9493      -164.8 
1 1 1 8  16 6  o 109.7000       3.736000      1632.953      -79.9  
1 1 1 8  16 7  o 25.70000       0.9996000     667.1431      102.8  
1 1 1 8  16 8  o 20.73000       0.6806000     769.5593      119.2  
1 1 1 8  16 9  o 16.31000       0.6599000     706.4011      150.8  
1 1 1 8  16 10 o 27.70000       1.065000      839.1277      -118.0 
1 1 1 8  16 11 o 205.9000       3.933000      1872.469      74.3   
1 1 1 8  16 12 o 6.066000       0.4387000     489.3869      -23.9  
1 1 1 8  16 13 o 57.91000       1.309000      1099.160      165.9  
1 1 1 8  16 14 o 20.64000       0.8008000     389.4623      75.7   
1 1 1 8  16 15 o 54.51000       1.285000      989.1847      115.8  
1 1 1 8  16 16 o 169.4000       3.458000      1996.435      34.2   
1 1 1 8  16 17 o 24.49000       0.8084000     450.2548      -64.4  
1 1 1 8  16 18 o 185.1000       4.098000      1748.983      154.2  
1 1 1 8  16 19 o 6.481000       0.7466000     451.9951      -138.0 
1 1 1 8  16 20 o 10.69000       0.8993000     390.9135      -40.3  
1 1 1 8  16 21 o 7.985000       0.8838000     443.9267      -127.5 
1 1 1 8  16 22 o 114.2000       2.728000      1513.200      64.8   
1 1 1 8  16 23 o 77.69000       2.219000      1064.033      -30.7  
1 1 1 8  16 24 o 37.75000       1.691000      711.1997      21.8   
1 1 1 8  16 25 o 133.7000       3.711000      1523.480      -64.1  
1 1 1 8  16 26 o 10.60000       1.251000      340.8363      -15.7  
1 1 1 8  16 27 o 65.10000       2.048000      1071.192      120.0  
1 1 1 8  16 28 o 37.78000       1.418000      705.4129      -60.7  
1 1 1 8  16 29 o 111.9000       2.866000      1555.697      125.1  
1 1 1 8  16 30 o 81.97000       2.237000      1504.792      54.6   
1 1 1 8  16 31 o 67.50000       1.811000      994.5693      -33.8  
1 1 1 8  16 32 o 32.24000       1.292000      455.1427      39.3   
1 1 1 8  16 33 o 31.22000       1.271000      895.9075      175.6  
1 1 1 8  16 34 o 46.62000       1.605000      923.0158      43.0   
1 1 1 8  16 35 o 18.22000       1.115000      777.7325      111.3  
1 1 1 8  16 36 o 7.342000       1.012000      411.5816      -175.2 
1 1 1 8  16 37 o 13.69000       1.064000      175.8311      -177.8 
1 1 1 8  16 38 o 5.932000       1.019000      319.1095      -52.8  
1 1 1 8  16 39 o 18.78000       1.144000      790.8774      47.2   
1 1 1 8  16 40 o 24.68000       1.343000      815.6982      -1.0   
1 1 1 8  16 41 o 40.36000       1.900000      907.0496      -93.1  
1 1 1 8  16 42 o 51.43000       2.280000      1003.614      98.1   
1 1 1 8  16 43 o 57.35000       2.805000      1055.330      173.0  
1 1 1 8  16 44 o 32.90000       1.545000      926.5479      1.1    
1 1 1 8  16 45 o 11.86000       1.134000      514.1017      -36.1  
1 1 1 8  16 46 o 6.831000       1.091000      276.7331      -163.5 
1 1 1 8  16 47 o 2.788000       1.084000      223.2151      90.5   
1 1 1 8  16 48 o 7.706000       1.143000      389.7200      113.0  
1 1 1 8  16 49 o 6.831000       1.170000      328.0510      -158.2 
1 1 1 8  16 50 o 8.812000       1.207000      410.2833      -37.6  
1 1 1 8  16 51 o 15.81000       1.314000      452.9709      -47.5  
1 1 1 8  16 52 o 18.73000       1.362000      565.6124      -12.6  
1 1 1 8  16 53 o 4.890000       1.278000      446.0881      -45.2  
1 1 1 8  16 54 o 8.102000       1.319000      430.0658      -126.0 
1 1 1 8  16 55 o 3.422000       1.321000      304.6221      -124.5 
1 1 1 8  16 56 o 19.88000       1.527000      620.3304      -67.8  
1 1 1 8  16 57 o 1.055000       1.587000      218.6745      -6.6   
1 1 1 8  16 58 o 5.137000       2.712000      156.4816      -176.7 
1 1 1 8  16 59 o 4.549000       1.747000      ?             ?      
1 1 1 8  16 60 o 4.466000       1.372000      ?             ?      
1 1 1 8  16 61 o -1.781000      1.334000      ?             ?      
1 1 1 8  16 62 o 2.330000       1.348000      ?             ?      
1 1 1 8  16 63 o 4.277000       1.339000      ?             ?      
1 1 1 8  16 64 o 2.906000       1.332000      ?             ?      
1 1 1 8  16 65 o 16.07000       1.456000      ?             ?      
1 1 1 8  16 66 o 5.903000       1.365000      ?             ?      
1 1 1 8  16 67 o 2.976000       1.356000      ?             ?      
1 1 1 8  16 68 o 3.058000       1.347000      ?             ?      
1 1 1 8  16 69 o 1.353000       1.354000      ?             ?      
1 1 1 8  16 70 o 3.899000       1.366000      ?             ?      
1 1 1 8  16 71 o 3.454000       1.776000      ?             ?      
1 1 1 8  16 72 o -2.735000      2.836000      ?             ?      
1 1 1 8  16 73 o 1.519000       2.607000      ?             ?      
1 1 1 8  16 74 o 2.295000       2.339000      ?             ?      
1 1 1 8  17 0  o 121.9000       4.033000      1873.140      180.0  
1 1 1 8  17 1  o 34.49000       0.8999000     1005.303      -68.1  
1 1 1 8  17 2  o 48.61000       1.244000      767.4326      60.1   
1 1 1 8  17 3  o 30.55000       1.209000      950.4785      13.9   
1 1 1 8  17 4  o 32.87000       1.345000      919.7401      -160.7 
1 1 1 8  17 5  o 15.70000       0.5727000     525.2571      -7.2   
1 1 1 8  17 6  o 25.44000       1.065000      608.7033      164.5  
1 1 1 8  17 7  o 3.584000       0.5576000     404.0621      109.3  
1 1 1 8  17 8  o 23.88000       0.8678000     460.6216      -92.5  
1 1 1 8  17 9  o 8.033000       0.5541000     193.5232      4.3    
1 1 1 8  17 10 o 69.39000       1.526000      1264.378      -155.1 
1 1 1 8  17 11 o 228.8000       4.722000      1953.254      -112.3 
1 1 1 8  17 12 o 128.9000       2.665000      1358.138      10.8   
1 1 1 8  17 13 o 58.30000       1.441000      935.9390      -16.6  
1 1 1 8  17 14 o 10.78000       0.5332000     527.7302      -99.5  
1 1 1 8  17 15 o 192.6000       3.692000      1667.578      -117.6 
1 1 1 8  17 16 o 136.3000       3.629000      1464.719      -78.4  
1 1 1 8  17 17 o 17.94000       0.7211000     829.9848      120.7  
1 1 1 8  17 18 o 18.30000       0.9637000     955.9435      -134.3 
1 1 1 8  17 19 o 210.3000       4.653000      1870.283      -176.6 
1 1 1 8  17 20 o 175.5000       4.215000      1809.209      48.0   
1 1 1 8  17 21 o 94.58000       2.323000      1581.419      55.5   
1 1 1 8  17 22 o 9.951000       1.241000      126.3083      -82.2  
1 1 1 8  17 23 o 192.0000       4.646000      2284.125      90.4   
1 1 1 8  17 24 o 313.9000       7.770000      2142.308      -18.5  
1 1 1 8  17 25 o 221.8000       6.385000      2220.441      -114.5 
1 1 1 8  17 26 o 51.70000       1.772000      1132.668      -32.3  
1 1 1 8  17 27 o 182.3000       3.888000      1789.039      57.7   
1 1 1 8  17 28 o 329.5000       6.691000      2523.665      -149.1 
1 1 1 8  17 29 o 45.01000       1.465000      773.2072      33.1   
1 1 1 8  17 30 o 16.52000       1.112000      637.3698      127.4  
1 1 1 8  17 31 o 268.8000       5.963000      2289.420      76.7   
1 1 1 8  17 32 o 116.0000       2.648000      1580.021      -76.9  
1 1 1 8  17 33 o 40.97000       1.388000      751.5709      105.9  
1 1 1 8  17 34 o 32.75000       1.267000      984.0586      -86.6  
1 1 1 8  17 35 o 22.75000       1.140000      738.7482      97.1   
1 1 1 8  17 36 o 8.819000       1.007000      671.7575      -62.9  
1 1 1 8  17 37 o 50.14000       1.531000      874.5674      -46.9  
1 1 1 8  17 38 f 45.00000       1.462000      876.3497      -117.1 
1 1 1 8  17 39 o 24.11000       1.181000      742.3412      31.4   
1 1 1 8  17 40 o 82.60000       2.296000      1355.545      -96.0  
1 1 1 8  17 41 o 6.490000       1.265000      323.8640      -69.0  
1 1 1 8  17 42 o 28.66000       2.236000      676.6090      14.3   
1 1 1 8  17 43 o 15.94000       1.508000      478.1859      76.8   
1 1 1 8  17 44 o 4.838000       1.082000      244.6649      -2.7   
1 1 1 8  17 45 o 34.28000       1.392000      769.5933      121.8  
1 1 1 8  17 46 o 3.980000       1.071000      345.6302      -121.5 
1 1 1 8  17 47 o 12.19000       1.161000      506.7559      -129.4 
1 1 1 8  17 48 o 10.06000       1.185000      497.2179      161.6  
1 1 1 8  17 49 o 5.589000       1.162000      331.2019      -28.9  
1 1 1 8  17 50 o 70.93000       2.062000      1181.158      118.0  
1 1 1 8  17 51 o 4.758000       1.241000      300.4366      77.3   
1 1 1 8  17 52 o 28.19000       1.478000      944.1249      -28.5  
1 1 1 8  17 53 o 7.395000       1.301000      356.6370      -46.6  
1 1 1 8  17 54 o 10.39000       1.338000      279.3333      -9.7   
1 1 1 8  17 55 o 18.14000       1.449000      752.3307      36.2   
1 1 1 8  17 56 o 14.73000       1.436000      495.6342      72.6   
1 1 1 8  17 57 o 7.578000       1.756000      298.2205      151.4  
1 1 1 8  17 58 o 12.81000       3.091000      526.1410      -58.8  
1 1 1 8  17 59 o 3.642000       1.648000      ?             ?      
1 1 1 8  17 60 o 3.465000       1.459000      ?             ?      
1 1 1 8  17 61 o 11.29000       1.524000      ?             ?      
1 1 1 8  17 62 o 6.763000       1.359000      ?             ?      
1 1 1 8  17 63 o 2.816000       1.314000      ?             ?      
1 1 1 8  17 64 o 2.277000       1.330000      ?             ?      
1 1 1 8  17 65 o 14.87000       1.445000      ?             ?      
1 1 1 8  17 66 o 3.505000       1.359000      ?             ?      
1 1 1 8  17 67 o 10.93000       1.430000      ?             ?      
1 1 1 8  17 68 o 4.626000       1.366000      ?             ?      
1 1 1 8  17 69 o 4.802000       1.381000      ?             ?      
1 1 1 8  17 70 o 6.617000       1.401000      ?             ?      
1 1 1 8  17 71 o 0.6933000      1.564000      ?             ?      
1 1 1 8  17 72 o 4.292000       1.820000      ?             ?      
1 1 1 8  17 73 o -0.6646000E-01 1.993000      ?             ?      
1 1 1 8  17 74 o 4.476000       1.677000      ?             ?      
1 1 1 8  18 0  o 14.66000       0.9738000     791.2134      0.0    
1 1 1 8  18 1  o 6.918000       0.5173000     106.4436      -77.4  
1 1 1 8  18 2  o 250.6000       5.738000      2301.181      9.9    
1 1 1 8  18 3  o 108.9000       2.945000      1304.866      68.7   
1 1 1 8  18 4  o 102.7000       2.715000      1565.273      -0.3   
1 1 1 8  18 5  o 18.25000       0.7172000     561.7645      -148.4 
1 1 1 8  18 6  o 68.14000       1.713000      1100.073      -78.0  
1 1 1 8  18 7  o 146.8000       3.064000      1870.474      106.0  
1 1 1 8  18 8  o 48.43000       1.342000      673.7916      43.1   
1 1 1 8  18 9  o 81.08000       1.810000      1443.904      -177.0 
1 1 1 8  18 10 o 96.00000       2.386000      1154.624      -136.1 
1 1 1 8  18 11 o 298.5000       5.910000      2457.089      30.2   
1 1 1 8  18 12 o 326.6000       6.139000      2377.095      10.4   
1 1 1 8  18 13 o 118.0000       2.554000      1312.556      -171.7 
1 1 1 8  18 14 o 37.35000       0.9791000     755.0776      145.1  
1 1 1 8  18 15 o 347.3000       6.904000      2660.727      -9.1   
1 1 1 8  18 16 o 162.6000       3.448000      1955.578      -41.9  
1 1 1 8  18 17 o 23.41000       0.8123000     1088.947      170.9  
1 1 1 8  18 18 o 60.01000       1.459000      1088.114      109.1  
1 1 1 8  18 19 o 18.47000       1.031000      625.3212      44.8   
1 1 1 8  18 20 o 38.63000       1.297000      884.1796      -16.7  
1 1 1 8  18 21 o 14.61000       1.330000      406.1669      -25.0  
1 1 1 8  18 22 o 113.2000       2.710000      1524.106      -161.5 
1 1 1 8  18 23 o 333.1000       7.276000      2224.240      -1.7   
1 1 1 8  18 24 o 42.38000       1.983000      799.0929      105.7  
1 1 1 8  18 25 o 93.23000       3.105000      1434.384      55.7   
1 1 1 8  18 26 o 136.7000       3.275000      1439.558      81.9   
1 1 1 8  18 27 o 54.50000       1.650000      685.3711      104.2  
1 1 1 8  18 28 o 29.63000       1.322000      737.8382      -25.5  
1 1 1 8  18 29 o 120.6000       2.734000      1192.148      136.3  
1 1 1 8  18 30 o 151.4000       3.302000      1873.079      155.7  
1 1 1 8  18 31 o 42.53000       1.417000      901.9823      -83.5  
1 1 1 8  18 32 o 24.76000       1.155000      818.9340      -164.7 
1 1 1 8  18 33 o 221.8000       4.620000      2006.947      -27.9  
1 1 1 8  18 34 o 10.95000       1.003000      545.7761      157.9  
1 1 1 8  18 35 o 18.79000       1.078000      613.6940      97.2   
1 1 1 8  18 36 o 36.27000       1.310000      571.1085      114.9  
1 1 1 8  18 37 o 38.57000       1.452000      821.9208      -151.6 
1 1 1 8  18 38 o 42.70000       1.419000      830.8380      99.2   
1 1 1 8  18 39 o 36.64000       1.346000      741.3975      8.6    
1 1 1 8  18 40 o 6.792000       1.042000      432.4658      -97.0  
1 1 1 8  18 41 o 18.17000       1.459000      386.4424      179.8  
1 1 1 8  18 42 o 73.19000       3.811000      1245.302      82.2   
1 1 1 8  18 43 o 6.667000       1.574000      464.6398      154.5  
1 1 1 8  18 44 o 80.45000       2.303000      1293.972      -46.8  
1 1 1 8  18 45 o 24.58000       1.277000      725.3911      -168.9 
1 1 1 8  18 46 o 10.86000       1.140000      539.6837      -169.6 
1 1 1 8  18 47 o 8.485000       1.147000      375.9398      -12.1  
1 1 1 8  18 48 o 28.77000       1.389000      863.8218      125.6  
1 1 1 8  18 49 o 30.47000       1.433000      651.3237      -157.8 
1 1 1 8  18 50 o 47.91000       1.705000      1014.470      51.0   
1 1 1 8  18 51 o 5.951000       1.251000      171.0312      -162.2 
1 1 1 8  18 52 o 17.11000       1.375000      530.8090      94.0   
1 1 1 8  18 53 o -0.6717000E-01 1.270000      87.78699      73.9   
1 1 1 8  18 54 o 3.347000       1.303000      131.4964      -104.0 
1 1 1 8  18 55 o 12.36000       1.390000      415.0266      -139.3 
1 1 1 8  18 56 o 2.784000       1.348000      245.3207      52.9   
1 1 1 8  18 57 o 32.87000       2.108000      829.0231      60.6   
1 1 1 8  18 58 o 8.026000       1.913000      ?             ?      
1 1 1 8  18 59 o 2.415000       1.729000      ?             ?      
1 1 1 8  18 60 o 4.746000       1.459000      ?             ?      
1 1 1 8  18 61 o 7.708000       1.351000      ?             ?      
1 1 1 8  18 62 o 6.032000       1.340000      ?             ?      
1 1 1 8  18 63 o 0.7544000      1.300000      ?             ?      
1 1 1 8  18 64 o 15.25000       1.422000      ?             ?      
1 1 1 8  18 65 o 4.568000       1.354000      ?             ?      
1 1 1 8  18 66 o 14.49000       1.446000      ?             ?      
1 1 1 8  18 67 o 2.608000       1.351000      ?             ?      
1 1 1 8  18 68 o -1.464000      1.320000      ?             ?      
1 1 1 8  18 69 o 0.7915000      1.350000      ?             ?      
1 1 1 8  18 70 o 6.110000       1.602000      ?             ?      
1 1 1 8  18 71 o -2.185000      1.708000      ?             ?      
1 1 1 8  18 72 o -0.7571000E-01 1.768000      ?             ?      
1 1 1 8  18 73 o 1.148000       2.334000      ?             ?      
1 1 1 8  19 0  o 209.4000       5.907000      1722.162      180.0  
1 1 1 8  19 1  o 32.29000       1.031000      795.7531      -3.4   
1 1 1 8  19 2  o 54.88000       1.989000      1009.258      -156.4 
1 1 1 8  19 3  o 84.03000       2.039000      1614.283      127.4  
1 1 1 8  19 4  o 9.180000       0.5426000     419.8198      -19.2  
1 1 1 8  19 5  o 88.84000       2.384000      1579.041      96.0   
1 1 1 8  19 6  o 66.16000       1.764000      794.7955      -83.9  
1 1 1 8  19 7  o 329.9000       6.728000      2072.425      50.8   
1 1 1 8  19 8  o 184.4000       3.409000      1926.032      -175.0 
1 1 1 8  19 9  o 265.7000       4.876000      2645.627      -75.8  
1 1 1 8  19 10 o 80.71000       2.010000      1291.070      -128.3 
1 1 1 8  19 11 o 36.85000       1.021000      1128.664      -25.1  
1 1 1 8  19 12 o 70.73000       1.608000      485.3240      74.4   
1 1 1 8  19 13 o 50.32000       1.145000      1128.293      160.7  
1 1 1 8  19 14 o 57.14000       1.385000      750.7701      -111.6 
1 1 1 8  19 15 o 163.0000       4.096000      1853.380      -73.9  
1 1 1 8  19 16 o 227.9000       4.365000      2287.053      127.0  
1 1 1 8  19 17 o 37.88000       1.069000      1219.836      -127.2 
1 1 1 8  19 18 o 41.80000       1.303000      853.3339      -105.5 
1 1 1 8  19 19 o 299.6000       6.525000      2107.895      55.5   
1 1 1 8  19 20 o 80.44000       2.053000      891.5925      27.6   
1 1 1 8  19 21 o 420.5000       9.710000      2945.933      161.7  
1 1 1 8  19 22 o 83.53000       2.164000      1323.612      165.8  
1 1 1 8  19 23 o 33.02000       1.899000      648.7892      76.8   
1 1 1 8  19 24 o 76.32000       3.164000      1098.779      -44.9  
1 1 1 8  19 25 o 1.469000       1.345000      308.2307      89.5   
1 1 1 8  19 26 o 78.37000       2.182000      1389.873      113.0  
1 1 1 8  19 27 o 87.99000       2.173000      1146.783      -142.6 
1 1 1 8  19 28 o 333.9000       6.776000      2421.534      -87.3  
1 1 1 8  19 29 o 80.39000       2.016000      1151.897      67.5   
1 1 1 8  19 30 o 244.7000       5.058000      2150.947      161.5  
1 1 1 8  19 31 o 4.946000       0.9671000     275.1177      25.0   
1 1 1 8  19 32 o 53.64000       1.547000      919.5438      62.8   
1 1 1 8  19 33 o 130.2000       2.905000      1640.788      77.4   
1 1 1 8  19 34 o 89.40000       2.159000      1438.526      26.3   
1 1 1 8  19 35 o 21.65000       1.100000      798.8187      -19.1  
1 1 1 8  19 36 o 49.57000       1.491000      1048.499      -91.8  
1 1 1 8  19 37 o 18.61000       1.089000      580.2339      -157.3 
1 1 1 8  19 38 o 37.27000       1.350000      671.2009      -135.0 
1 1 1 8  19 39 o 19.26000       1.124000      774.7725      -50.8  
1 1 1 8  19 40 o 80.23000       2.213000      1292.412      -81.5  
1 1 1 8  19 41 o 14.96000       1.577000      432.0534      5.4    
1 1 1 8  19 42 o 48.23000       2.260000      1016.141      -80.4  
1 1 1 8  19 43 o 4.129000       1.476000      344.6295      107.5  
1 1 1 8  19 44 f 4.439000       1.213000      273.1809      88.4   
1 1 1 8  19 45 o 57.54000       1.753000      1016.271      68.0   
1 1 1 8  19 46 o 12.70000       1.169000      417.2601      -39.2  
1 1 1 8  19 47 o 46.03000       1.615000      910.0124      -175.6 
1 1 1 8  19 48 o 23.83000       1.346000      741.6903      155.2  
1 1 1 8  19 49 o 30.14000       1.442000      893.9933      -139.9 
1 1 1 8  19 50 o 7.580000       1.256000      343.8014      97.4   
1 1 1 8  19 51 o 5.237000       1.257000      329.0450      -84.9  
1 1 1 8  19 52 o 60.73000       1.949000      1096.096      -7.0   
1 1 1 8  19 53 o 0.4144000      1.274000      68.14677      -114.5 
1 1 1 8  19 54 o 10.62000       1.360000      493.1714      34.5   
1 1 1 8  19 55 o 7.902000       1.361000      517.6099      138.8  
1 1 1 8  19 56 o 11.05000       1.526000      582.2692      -151.5 
1 1 1 8  19 57 o 2.331000       1.585000      235.6969      -73.2  
1 1 1 8  19 58 o 3.138000       1.635000      ?             ?      
1 1 1 8  19 59 o 20.45000       1.904000      ?             ?      
1 1 1 8  19 60 o 2.486000       1.578000      ?             ?      
1 1 1 8  19 61 o 6.495000       1.448000      ?             ?      
1 1 1 8  19 62 o 18.48000       1.452000      ?             ?      
1 1 1 8  19 63 o 2.037000       1.312000      ?             ?      
1 1 1 8  19 64 o 4.164000       1.336000      ?             ?      
1 1 1 8  19 65 o 8.701000       1.382000      ?             ?      
1 1 1 8  19 66 o 10.16000       1.403000      ?             ?      
1 1 1 8  19 67 o 1.827000       1.330000      ?             ?      
1 1 1 8  19 68 o -1.644000      1.316000      ?             ?      
1 1 1 8  19 69 o 6.212000       1.396000      ?             ?      
1 1 1 8  19 70 o 4.498000       1.586000      ?             ?      
1 1 1 8  19 71 o -0.6309000     1.561000      ?             ?      
1 1 1 8  19 72 o 2.119000       1.527000      ?             ?      
1 1 1 8  19 73 o -1.302000      1.645000      ?             ?      
1 1 1 8  20 0  o 210.0000       5.933000      1875.864      0.0    
1 1 1 8  20 1  o 35.57000       1.251000      507.1768      27.1   
1 1 1 8  20 2  o 7.583000       0.5631000     282.9014      21.2   
1 1 1 8  20 3  o 64.07000       1.652000      1067.415      -6.9   
1 1 1 8  20 4  o 168.9000       4.395000      2027.049      -2.5   
1 1 1 8  20 5  o 161.5000       3.906000      1706.107      161.3  
1 1 1 8  20 6  o 174.7000       4.165000      2087.540      -138.7 
1 1 1 8  20 7  o 463.2000       8.672000      2955.285      22.6   
1 1 1 8  20 8  o 13.08000       0.7018000     769.8740      95.2   
1 1 1 8  20 9  o 22.49000       1.001000      256.0849      -140.4 
1 1 1 8  20 10 o 177.8000       4.443000      1806.101      -139.8 
1 1 1 8  20 11 o 60.40000       1.444000      1193.997      -24.2  
1 1 1 8  20 12 o 90.86000       1.989000      1244.164      114.6  
1 1 1 8  20 13 o 100.6000       2.592000      1367.149      -98.2  
1 1 1 8  20 14 o 51.95000       1.382000      1500.752      16.4   
1 1 1 8  20 15 o 215.4000       4.718000      1877.994      -54.0  
1 1 1 8  20 16 o 79.94000       1.966000      1324.035      1.9    
1 1 1 8  20 17 o 5.728000       0.6284000     502.7627      128.0  
1 1 1 8  20 18 o 44.47000       1.329000      797.4506      -29.0  
1 1 1 8  20 19 o 137.8000       2.928000      1921.473      -58.2  
1 1 1 8  20 20 o 199.6000       4.480000      1861.412      -137.0 
1 1 1 8  20 21 o 154.6000       3.595000      1958.132      -171.8 
1 1 1 8  20 22 o 6.859000       1.088000      924.1491      -70.0  
1 1 1 8  20 23 o 514.7000       13.14000      3548.662      50.6   
1 1 1 8  20 24 o 165.9000       6.115000      1754.573      -36.3  
1 1 1 8  20 25 o 70.51000       2.460000      1137.982      84.1   
1 1 1 8  20 26 o 146.5000       3.509000      2360.698      91.5   
1 1 1 8  20 27 o 40.41000       1.388000      858.4804      61.8   
1 1 1 8  20 28 o 67.26000       1.767000      942.2732      -64.0  
1 1 1 8  20 29 o 124.4000       2.786000      1617.221      175.6  
1 1 1 8  20 30 o 284.3000       5.819000      2518.023      -152.0 
1 1 1 8  20 31 o 26.93000       1.145000      580.8646      -108.2 
1 1 1 8  20 32 o 137.4000       3.292000      1598.592      62.4   
1 1 1 8  20 33 o 160.9000       3.468000      1507.517      -162.7 
1 1 1 8  20 34 o 109.6000       2.512000      1312.930      95.0   
1 1 1 8  20 35 o 40.95000       1.350000      832.7418      158.8  
1 1 1 8  20 36 o 29.43000       1.192000      746.6058      -100.2 
1 1 1 8  20 37 o 43.37000       1.417000      924.0463      -23.2  
1 1 1 8  20 38 o 80.95000       2.044000      1387.308      74.7   
1 1 1 8  20 39 o 7.344000       1.006000      292.8795      86.4   
1 1 1 8  20 40 o 6.912000       1.117000      488.4706      -66.8  
1 1 1 8  20 41 o 69.71000       3.077000      1324.824      45.7   
1 1 1 8  20 42 o 4.190000       1.457000      250.4219      165.1  
1 1 1 8  20 43 o 3.831000       1.531000      223.5405      128.0  
1 1 1 8  20 44 o 5.899000       1.339000      307.6481      -140.2 
1 1 1 8  20 45 o 51.56000       1.819000      1139.643      154.5  
1 1 1 8  20 46 o 15.30000       1.203000      501.3611      -78.6  
1 1 1 8  20 47 o 23.90000       1.328000      801.8963      -26.9  
1 1 1 8  20 48 o 31.36000       1.445000      790.1085      141.1  
1 1 1 8  20 49 o 5.763000       1.227000      263.2433      -108.8 
1 1 1 8  20 50 o 36.23000       1.560000      743.3234      42.3   
1 1 1 8  20 51 o 18.36000       1.378000      770.9384      132.4  
1 1 1 8  20 52 o 34.62000       1.586000      659.1649      142.2  
1 1 1 8  20 53 o 4.358000       1.301000      168.2816      -72.3  
1 1 1 8  20 54 o 0.2299000      1.311000      134.7699      -37.9  
1 1 1 8  20 55 o 4.767000       1.352000      334.4977      -8.7   
1 1 1 8  20 56 o 6.163000       1.497000      363.7253      9.1    
1 1 1 8  20 57 o 0.2143000      1.446000      ?             ?      
1 1 1 8  20 58 o 1.622000       1.442000      ?             ?      
1 1 1 8  20 59 o 1.543000       1.569000      ?             ?      
1 1 1 8  20 60 o 3.238000       1.701000      ?             ?      
1 1 1 8  20 61 o 10.03000       1.492000      ?             ?      
1 1 1 8  20 62 o 2.677000       1.314000      ?             ?      
1 1 1 8  20 63 o -0.2438000     1.290000      ?             ?      
1 1 1 8  20 64 o 5.051000       1.325000      ?             ?      
1 1 1 8  20 65 o 4.958000       1.344000      ?             ?      
1 1 1 8  20 66 o 2.472000       1.330000      ?             ?      
1 1 1 8  20 67 o 2.105000       1.322000      ?             ?      
1 1 1 8  20 68 o 0.8140000      1.334000      ?             ?      
1 1 1 8  20 69 o 0.4644000      1.526000      ?             ?      
1 1 1 8  20 71 o 2.485000       1.808000      ?             ?      
1 1 1 8  20 72 o 1.202000       1.766000      ?             ?      
1 1 1 8  20 73 o -1.197000      2.063000      ?             ?      
1 1 1 8  21 0  o 58.19000       2.130000      945.3546      0.0    
1 1 1 8  21 1  o 12.54000       0.6119000     599.2428      105.2  
1 1 1 8  21 2  o 24.84000       0.8374000     398.2546      167.2  
1 1 1 8  21 3  o 50.39000       1.437000      1406.918      37.3   
1 1 1 8  21 4  o 28.72000       0.9592000     787.0781      -88.0  
1 1 1 8  21 5  o 35.04000       1.047000      735.2802      70.4   
1 1 1 8  21 6  o 224.9000       4.262000      2290.700      126.1  
1 1 1 8  21 7  o 45.98000       1.421000      1029.459      -15.6  
1 1 1 8  21 8  o 12.11000       1.026000      470.9820      -15.8  
1 1 1 8  21 9  o 99.18000       2.435000      1408.719      -29.5  
1 1 1 8  21 10 o 156.2000       3.793000      1634.173      71.7   
1 1 1 8  21 11 o 87.58000       2.383000      1638.953      -55.3  
1 1 1 8  21 12 o 53.30000       1.401000      1299.829      174.6  
1 1 1 8  21 13 o 17.08000       0.9466000     367.9455      -85.6  
1 1 1 8  21 14 o 114.6000       3.052000      1534.778      14.4   
1 1 1 8  21 15 o 167.7000       3.278000      1420.173      27.3   
1 1 1 8  21 16 o 66.14000       1.499000      1180.035      97.2   
1 1 1 8  21 17 o 123.3000       2.641000      1680.350      152.8  
1 1 1 8  21 18 o 59.37000       1.557000      1180.692      -37.0  
1 1 1 8  21 19 o 55.68000       1.466000      1395.639      -55.9  
1 1 1 8  21 20 o 165.8000       3.495000      1720.146      -170.9 
1 1 1 8  21 21 o 463.8000       11.26000      3002.861      133.1  
1 1 1 8  21 22 o 73.79000       2.571000      1338.325      118.0  
1 1 1 8  21 23 o 153.7000       5.777000      1843.376      -37.1  
1 1 1 8  21 24 o 66.95000       2.538000      1212.671      131.2  
1 1 1 8  21 25 o 14.74000       1.267000      749.6722      161.6  
1 1 1 8  21 26 o 94.58000       2.703000      1363.772      -109.6 
1 1 1 8  21 27 o 101.3000       2.588000      1053.245      -61.5  
1 1 1 8  21 28 o 69.26000       1.810000      1022.389      101.6  
1 1 1 8  21 29 o 14.09000       1.008000      530.3460      -119.0 
1 1 1 8  21 30 o 61.51000       1.664000      1272.982      159.8  
1 1 1 8  21 31 o 3.913000       0.9242000     453.5526      -47.1  
1 1 1 8  21 32 o 283.8000       5.797000      ?             ?      
1 1 1 8  21 33 o 47.28000       1.430000      1116.343      78.7   
1 1 1 8  21 34 o 35.86000       1.259000      828.0217      -57.1  
1 1 1 8  21 35 o 68.54000       1.809000      1165.927      -132.5 
1 1 1 8  21 36 o 58.82000       1.639000      1010.808      87.9   
1 1 1 8  21 37 o 19.27000       1.071000      719.1139      147.7  
1 1 1 8  21 38 o 8.313000       0.9851000     360.9001      -155.0 
1 1 1 8  21 39 o 12.26000       1.040000      359.7747      -86.6  
1 1 1 8  21 40 o 5.967000       1.116000      310.1195      102.8  
1 1 1 8  21 41 o 50.10000       1.798000      1022.279      -84.2  
1 1 1 8  21 42 o 12.52000       1.228000      492.5368      167.9  
1 1 1 8  21 43 o 102.3000       3.272000      ?             ?      
1 1 1 8  21 44 o 18.25000       1.619000      527.4515      170.6  
1 1 1 8  21 45 o 9.425000       1.266000      346.0883      41.6   
1 1 1 8  21 46 o 3.524000       1.130000      245.3209      87.2   
1 1 1 8  21 47 o 21.14000       1.298000      617.9221      -115.7 
1 1 1 8  21 48 o 4.202000       1.182000      497.3018      -128.2 
1 1 1 8  21 49 o 33.61000       1.511000      803.7999      -174.6 
1 1 1 8  21 50 o 21.85000       1.400000      755.1669      152.6  
1 1 1 8  21 51 o 70.29000       2.107000      ?             ?      
1 1 1 8  21 52 o 13.32000       1.362000      430.1866      -18.9  
1 1 1 8  21 53 o 14.46000       1.391000      540.3586      -57.0  
1 1 1 8  21 54 o 17.59000       1.436000      712.5483      108.2  
1 1 1 8  21 55 o 9.554000       1.515000      407.2646      -175.3 
1 1 1 8  21 56 o 5.864000       1.728000      264.7111      67.8   
1 1 1 8  21 57 o 3.629000       1.418000      ?             ?      
1 1 1 8  21 58 o 44.88000       1.794000      ?             ?      
1 1 1 8  21 59 o 19.31000       1.616000      ?             ?      
1 1 1 8  21 60 o 9.517000       1.740000      ?             ?      
1 1 1 8  21 61 o 9.669000       1.619000      ?             ?      
1 1 1 8  21 62 o 0.9189000      1.416000      ?             ?      
1 1 1 8  21 63 o 1.481000       1.295000      ?             ?      
1 1 1 8  21 64 o 15.27000       1.432000      ?             ?      
1 1 1 8  21 65 o 3.784000       1.318000      ?             ?      
1 1 1 8  21 66 o 0.8495000      1.312000      ?             ?      
1 1 1 8  21 67 o 3.397000       1.324000      ?             ?      
1 1 1 8  21 69 o 5.003000       1.974000      ?             ?      
1 1 1 8  21 70 o -1.270000      2.358000      ?             ?      
1 1 1 8  21 71 o 4.161000       1.526000      ?             ?      
1 1 1 8  21 72 o 3.619000       1.555000      ?             ?      
1 1 1 8  22 0  o 13.64000       0.9693000     1018.895      -180.0 
1 1 1 8  22 1  o 0.4650000      0.5974000     344.1822      63.3   
1 1 1 8  22 2  o 73.97000       1.859000      1094.079      -56.9  
1 1 1 8  22 3  f 149.8000       3.727000      1807.683      20.4   
1 1 1 8  22 4  o 115.3000       2.588000      1817.748      -127.6 
1 1 1 8  22 5  o 197.1000       4.266000      1566.327      -177.4 
1 1 1 8  22 6  o 2.994000       0.6356000     143.9138      26.1   
1 1 1 8  22 7  o 13.42000       0.8120000     543.7918      92.7   
1 1 1 8  22 8  o 462.1000       11.19000      3449.099      98.9   
1 1 1 8  22 9  o 25.35000       1.186000      623.4188      -9.8   
1 1 1 8  22 10 o 229.5000       5.299000      2166.373      -129.1 
1 1 1 8  22 11 o 91.93000       3.346000      1169.591      153.7  
1 1 1 8  22 12 o 53.75000       1.478000      968.2205      123.4  
1 1 1 8  22 13 o 159.4000       3.571000      1850.891      -111.4 
1 1 1 8  22 14 o 177.5000       3.937000      2120.453      77.3   
1 1 1 8  22 15 o 20.35000       0.9744000     651.3119      -142.5 
1 1 1 8  22 16 o -1.173000      0.6695000     464.9264      120.3  
1 1 1 8  22 17 o 15.17000       0.8674000     713.9077      171.3  
1 1 1 8  22 18 o 22.65000       0.9605000     227.2642      45.5   
1 1 1 8  22 19 o 1.453000       0.7750000     559.0373      73.4   
1 1 1 8  22 20 o 74.18000       1.971000      1456.154      -132.8 
1 1 1 8  22 21 o 119.8000       2.908000      1366.953      -131.8 
1 1 1 8  22 22 o 250.0000       10.15000      1945.414      59.7   
1 1 1 8  22 23 o 85.80000       5.414000      1108.798      162.3  
1 1 1 8  22 24 o 27.50000       1.514000      947.3409      -5.3   
1 1 1 8  22 25 o 79.68000       2.360000      1012.518      88.6   
1 1 1 8  22 26 o 52.10000       1.856000      916.7371      81.8   
1 1 1 8  22 27 o 34.36000       1.525000      992.0360      179.6  
1 1 1 8  22 28 o 15.18000       1.010000      567.1923      2.0    
1 1 1 8  22 29 o 100.8000       2.342000      1308.448      132.4  
1 1 1 8  22 30 o 95.31000       2.235000      1315.151      52.7   
1 1 1 8  22 31 o 37.07000       1.255000      842.5902      82.5   
1 1 1 8  22 32 o 41.91000       1.341000      962.8210      94.8   
1 1 1 8  22 33 o 80.21000       1.975000      1448.345      0.7    
1 1 1 8  22 34 o 44.40000       1.399000      984.4755      73.9   
1 1 1 8  22 35 o 65.03000       1.724000      1251.048      166.2  
1 1 1 8  22 36 o 87.44000       2.126000      1414.564      -42.2  
1 1 1 8  22 37 o 5.972000       0.9383000     331.6855      158.7  
1 1 1 8  22 38 o 24.72000       1.143000      712.3804      157.1  
1 1 1 8  22 39 o 3.983000       1.048000      375.5213      -75.2  
1 1 1 8  22 40 o 105.2000       3.373000      1389.967      -85.5  
1 1 1 8  22 41 o 15.73000       1.236000      497.2966      58.3   
1 1 1 8  22 42 o 37.42000       1.546000      898.0303      -159.5 
1 1 1 8  22 43 o 38.47000       1.736000      967.7599      89.0   
1 1 1 8  22 44 o 6.730000       1.511000      322.4414      117.2  
1 1 1 8  22 45 f 34.26000       1.713000      788.0783      -100.7 
1 1 1 8  22 46 o 12.73000       1.330000      557.0621      -21.1  
1 1 1 8  22 47 o 22.61000       1.321000      737.0426      -61.6  
1 1 1 8  22 48 o 17.52000       1.299000      507.4705      105.8  
1 1 1 8  22 49 o 57.37000       1.873000      1134.019      -54.3  
1 1 1 8  22 50 o 42.74000       1.678000      966.5505      -39.3  
1 1 1 8  22 51 o 19.82000       1.411000      575.6742      -42.2  
1 1 1 8  22 52 o 7.958000       1.341000      267.4138      -123.9 
1 1 1 8  22 53 o 2.714000       1.310000      281.1053      173.4  
1 1 1 8  22 54 o 6.324000       1.355000      283.2555      93.2   
1 1 1 8  22 55 o 35.84000       1.883000      880.7444      -109.9 
1 1 1 8  22 56 o -0.2180000E-01 1.490000      ?             ?      
1 1 1 8  22 57 o 5.888000       1.357000      ?             ?      
1 1 1 8  22 58 o -1.198000      1.318000      ?             ?      
1 1 1 8  22 59 o 16.08000       1.554000      ?             ?      
1 1 1 8  22 60 o 0.4806000      1.534000      ?             ?      
1 1 1 8  22 61 o 2.884000       1.653000      ?             ?      
1 1 1 8  22 62 o 4.155000       1.453000      ?             ?      
1 1 1 8  22 63 o 2.959000       1.302000      ?             ?      
1 1 1 8  22 64 o 8.842000       1.353000      ?             ?      
1 1 1 8  22 65 o 1.455000       1.306000      ?             ?      
1 1 1 8  22 66 o 7.067000       1.491000      ?             ?      
1 1 1 8  22 67 o 2.465000       1.469000      ?             ?      
1 1 1 8  22 68 o 4.064000       2.244000      ?             ?      
1 1 1 8  22 69 o 1.148000       2.222000      ?             ?      
1 1 1 8  22 70 f 4.609000       1.794000      ?             ?      
1 1 1 8  22 71 o -1.572000      1.380000      ?             ?      
1 1 1 8  22 72 o 2.494000       1.408000      ?             ?      
1 1 1 8  23 0  o 38.52000       1.641000      935.9541      180.0  
1 1 1 8  23 1  o 24.27000       1.016000      479.0906      -149.8 
1 1 1 8  23 2  o 40.41000       1.313000      847.1142      -65.8  
1 1 1 8  23 3  o 290.8000       6.688000      2347.701      -73.0  
1 1 1 8  23 4  o 23.34000       0.8001000     834.0495      162.6  
1 1 1 8  23 5  o 9.127000       0.8871000     500.8283      -137.9 
1 1 1 8  23 6  o 255.8000       5.495000      2355.796      166.3  
1 1 1 8  23 7  o 105.2000       2.354000      1360.026      18.2   
1 1 1 8  23 8  o 187.9000       4.523000      1746.814      81.9   
1 1 1 8  23 9  o 28.19000       1.156000      737.7211      -143.1 
1 1 1 8  23 10 o 29.79000       1.280000      881.5682      -33.7  
1 1 1 8  23 11 o 178.0000       4.366000      1752.901      -99.2  
1 1 1 8  23 12 o 215.8000       4.516000      2321.306      -108.1 
1 1 1 8  23 13 o 15.03000       1.778000      171.4109      13.9   
1 1 1 8  23 14 o 488.7000       14.25000      2727.400      -37.7  
1 1 1 8  23 15 o 22.80000       1.054000      846.4211      -149.5 
1 1 1 8  23 16 o 62.27000       1.828000      1371.325      126.1  
1 1 1 8  23 17 o 299.4000       6.520000      2108.260      -138.2 
1 1 1 8  23 18 o 56.15000       1.964000      1059.774      -50.1  
1 1 1 8  23 19 o 22.11000       1.049000      483.8189      136.3  
1 1 1 8  23 20 o 31.11000       1.239000      621.6699      120.7  
1 1 1 8  23 21 o 27.81000       1.288000      722.8107      123.5  
1 1 1 8  23 22 o 21.26000       1.346000      798.5504      -141.4 
1 1 1 8  23 23 o 82.70000       2.888000      1327.639      -106.6 
1 1 1 8  23 24 o 29.03000       1.400000      857.5314      -132.0 
1 1 1 8  23 25 o 34.92000       1.386000      852.2291      -82.6  
1 1 1 8  23 26 o 14.93000       1.143000      381.2814      43.5   
1 1 1 8  23 27 o 89.28000       2.505000      1189.751      145.4  
1 1 1 8  23 28 o 63.62000       1.825000      928.7312      -113.4 
1 1 1 8  23 29 o 57.18000       1.721000      1067.749      151.7  
1 1 1 8  23 30 o 63.34000       1.667000      802.0268      156.4  
1 1 1 8  23 31 o 23.28000       1.059000      888.1839      -95.0  
1 1 1 8  23 32 o 60.28000       1.632000      1114.207      -29.3  
1 1 1 8  23 33 o 100.5000       2.341000      1525.155      -173.2 
1 1 1 8  23 34 o 21.76000       1.065000      629.3976      -29.5  
1 1 1 8  23 35 o 24.12000       1.097000      620.4693      128.9  
1 1 1 8  23 36 o 56.74000       1.612000      1123.487      89.8   
1 1 1 8  23 37 o 61.76000       1.703000      1191.218      -110.2 
1 1 1 8  23 38 o 12.62000       1.024000      546.8229      -112.4 
1 1 1 8  23 39 o 46.72000       1.674000      907.9772      79.2   
1 1 1 8  23 40 o 8.024000       1.113000      240.5377      -125.0 
1 1 1 8  23 41 o 80.57000       2.087000      1338.558      -127.7 
1 1 1 8  23 42 o 68.12000       1.893000      1253.942      131.4  
1 1 1 8  23 43 o 16.58000       1.384000      504.5688      -159.9 
1 1 1 8  23 44 o 18.66000       1.465000      548.7833      50.2   
1 1 1 8  23 45 o 39.72000       2.001000      944.1931      79.8   
1 1 1 8  23 46 o 5.851000       1.410000      320.0513      -20.7  
1 1 1 8  23 47 o 13.65000       1.235000      601.8100      -143.8 
1 1 1 8  23 48 o 51.15000       1.748000      1093.163      93.0   
1 1 1 8  23 49 o 84.88000       2.318000      ?             ?      
1 1 1 8  23 50 o 0.9904000      1.252000      203.6067      -63.1  
1 1 1 8  23 51 o 6.381000       1.309000      323.1805      -31.0  
1 1 1 8  23 52 o 25.56000       1.506000      745.5377      47.9   
1 1 1 8  23 53 o 1.131000       1.307000      216.3673      98.7   
1 1 1 8  23 54 o 9.017000       1.500000      539.8301      161.4  
1 1 1 8  23 55 o 1.299000       1.709000      209.7790      50.2   
1 1 1 8  23 56 o 9.769000       1.613000      ?             ?      
1 1 1 8  23 57 o 18.01000       1.461000      ?             ?      
1 1 1 8  23 58 o 17.43000       1.427000      ?             ?      
1 1 1 8  23 59 o 1.990000       1.310000      ?             ?      
1 1 1 8  23 60 o 10.32000       1.503000      ?             ?      
1 1 1 8  23 61 o 4.642000       1.657000      ?             ?      
1 1 1 8  23 62 o 4.885000       1.548000      ?             ?      
1 1 1 8  23 63 o 0.4133000      1.404000      ?             ?      
1 1 1 8  23 64 o -1.528000      1.428000      ?             ?      
1 1 1 8  23 65 o 7.612000       1.483000      ?             ?      
1 1 1 8  23 66 o 3.852000       1.682000      ?             ?      
1 1 1 8  23 67 o 1.876000       1.454000      ?             ?      
1 1 1 8  23 68 o 3.007000       1.741000      ?             ?      
1 1 1 8  23 69 o 1.691000       1.551000      ?             ?      
1 1 1 8  23 70 o 4.908000       1.942000      ?             ?      
1 1 1 8  23 71 o 0.3531000E-01  1.385000      ?             ?      
1 1 1 8  24 0  o 5.134000       1.430000      635.1081      0.0    
1 1 1 8  24 1  o 99.86000       2.739000      1683.565      -0.5   
1 1 1 8  24 2  o 222.5000       5.449000      2367.881      14.4   
1 1 1 8  24 3  o -0.2620000     0.6354000     170.9679      -48.6  
1 1 1 8  24 4  o 79.99000       1.877000      1196.510      -25.8  
1 1 1 8  24 5  o 88.23000       1.842000      1595.655      -20.1  
1 1 1 8  24 6  o 54.23000       1.422000      1090.377      -82.5  
1 1 1 8  24 7  o 156.3000       3.492000      1888.921      -172.1 
1 1 1 8  24 8  o 2.794000       0.6534000     478.5603      17.7   
1 1 1 8  24 9  o 66.52000       1.937000      1283.026      -62.8  
1 1 1 8  24 10 o 41.47000       1.369000      1254.936      10.7   
1 1 1 8  24 11 o 4.449000       0.8576000     510.1945      -121.9 
1 1 1 8  24 12 o 44.17000       1.768000      1110.152      32.2   
1 1 1 8  24 13 o 8.093000       1.023000      721.2693      5.5    
1 1 1 8  24 14 o 49.14000       1.546000      1047.864      10.9   
1 1 1 8  24 15 o 139.6000       3.566000      2118.852      -128.7 
1 1 1 8  24 16 o 25.97000       1.747000      1019.911      -49.2  
1 1 1 8  24 17 o 4.997000       0.9470000     599.7958      112.7  
1 1 1 8  24 18 o 163.9000       3.577000      1905.263      82.5   
1 1 1 8  24 19 o 9.196000       0.8881000     307.1643      -106.0 
1 1 1 8  24 20 o 7.631000       0.9258000     322.2220      -133.0 
1 1 1 8  24 21 o 62.05000       2.030000      1216.566      140.0  
1 1 1 8  24 22 o 21.90000       1.360000      849.0359      145.6  
1 1 1 8  24 23 o 41.09000       1.662000      836.8307      -160.0 
1 1 1 8  24 24 o 29.27000       1.359000      528.9291      172.9  
1 1 1 8  24 25 o 9.126000       1.030000      214.7113      137.8  
1 1 1 8  24 26 o 9.307000       0.9275000     418.9837      88.9   
1 1 1 8  24 27 o 0.7668000      0.9966000     196.7436      74.7   
1 1 1 8  24 28 o 5.775000       1.111000      419.8294      142.6  
1 1 1 8  24 29 o 47.60000       1.523000      1204.450      60.9   
1 1 1 8  24 30 o 38.30000       1.244000      807.9308      -110.4 
1 1 1 8  24 31 o 160.0000       3.427000      1594.326      2.4    
1 1 1 8  24 32 o 0.3907000      0.8698000     142.3671      91.7   
1 1 1 8  24 33 o 44.54000       1.373000      1127.088      56.4   
1 1 1 8  24 34 o 61.85000       1.671000      1132.120      -169.3 
1 1 1 8  24 35 o 34.23000       1.238000      732.6698      135.7  
1 1 1 8  24 36 o 148.8000       3.266000      ?             ?      
1 1 1 8  24 37 o 49.10000       1.497000      857.5795      159.9  
1 1 1 8  24 38 o 45.21000       1.588000      1092.699      -45.4  
1 1 1 8  24 39 o 26.92000       1.416000      745.0222      9.2    
1 1 1 8  24 40 o 27.20000       1.333000      568.9603      -127.3 
1 1 1 8  24 41 o 5.413000       1.011000      237.2916      -137.7 
1 1 1 8  24 42 o 6.896000       1.050000      403.3997      95.3   
1 1 1 8  24 43 o 45.76000       1.695000      1016.805      126.5  
1 1 1 8  24 44 o 7.957000       1.349000      604.0615      -47.5  
1 1 1 8  24 45 o 15.83000       1.636000      530.3104      -74.5  
1 1 1 8  24 46 o 4.684000       1.409000      198.5788      140.1  
1 1 1 8  24 47 o 19.08000       1.441000      566.6582      -146.0 
1 1 1 8  24 48 o 4.135000       1.202000      281.2984      20.8   
1 1 1 8  24 49 o 7.702000       1.245000      424.1344      -59.5  
1 1 1 8  24 50 o 12.02000       1.328000      482.0381      -133.6 
1 1 1 8  24 51 o 29.00000       1.545000      868.6420      -77.0  
1 1 1 8  24 52 o 38.62000       1.676000      910.5549      155.0  
1 1 1 8  24 53 o 7.226000       1.343000      398.9654      -41.1  
1 1 1 8  24 54 o 5.144000       1.471000      259.9503      83.0   
1 1 1 8  24 55 o 8.757000       1.528000      ?             ?      
1 1 1 8  24 56 o 2.231000       1.315000      ?             ?      
1 1 1 8  24 57 o 2.957000       1.315000      ?             ?      
1 1 1 8  24 58 o 5.337000       1.347000      ?             ?      
1 1 1 8  24 59 o 7.792000       1.353000      ?             ?      
1 1 1 8  24 60 o 7.694000       1.477000      ?             ?      
1 1 1 8  24 61 o 3.989000       1.538000      ?             ?      
1 1 1 8  24 62 o 3.175000       1.740000      ?             ?      
1 1 1 8  24 63 o 1.513000       1.419000      ?             ?      
1 1 1 8  24 64 o 5.065000       1.693000      ?             ?      
1 1 1 8  24 65 o 4.989000       1.464000      ?             ?      
1 1 1 8  24 66 o -3.286000      1.433000      ?             ?      
1 1 1 8  24 67 o 3.917000       1.533000      ?             ?      
1 1 1 8  24 68 o 5.868000       1.796000      ?             ?      
1 1 1 8  24 69 o 3.676000       1.541000      ?             ?      
1 1 1 8  24 70 o 2.689000       1.384000      ?             ?      
1 1 1 8  24 71 o 1.079000       1.389000      ?             ?      
1 1 1 8  25 0  o 2.959000       1.506000      410.5717      0.0    
1 1 1 8  25 1  o 52.70000       1.653000      1308.014      105.6  
1 1 1 8  25 2  o 0.1773000      0.7551000     320.4801      26.6   
1 1 1 8  25 3  o 23.46000       0.9246000     1067.523      -152.0 
1 1 1 8  25 4  o 58.99000       1.513000      1213.124      104.1  
1 1 1 8  25 5  o 72.18000       1.762000      1053.712      -52.7  
1 1 1 8  25 6  o 294.3000       5.891000      2587.608      5.0    
1 1 1 8  25 7  o 75.61000       1.919000      1526.635      142.9  
1 1 1 8  25 8  o 39.86000       1.469000      1128.583      125.6  
1 1 1 8  25 9  o 2.110000       0.8454000     736.1823      174.5  
1 1 1 8  25 10 o 21.28000       1.168000      344.2588      169.5  
1 1 1 8  25 11 o 149.9000       3.744000      1716.221      -147.8 
1 1 1 8  25 12 o 217.8000       5.255000      1813.455      -93.2  
1 1 1 8  25 13 o 29.25000       1.195000      1212.536      63.0   
1 1 1 8  25 14 o 93.64000       2.550000      1418.364      -25.8  
1 1 1 8  25 15 o 139.4000       3.644000      1640.860      125.4  
1 1 1 8  25 16 o 88.93000       2.272000      1213.343      -11.2  
1 1 1 8  25 17 o 58.31000       1.970000      1283.474      -133.2 
1 1 1 8  25 18 o 4.880000       1.039000      138.6391      -119.3 
1 1 1 8  25 19 o 8.950000       1.214000      619.0085      -139.7 
1 1 1 8  25 20 o 237.0000       5.900000      2145.682      -80.3  
1 1 1 8  25 21 o 99.86000       2.929000      1456.371      -78.1  
1 1 1 8  25 22 o 59.69000       2.659000      1229.237      171.6  
1 1 1 8  25 23 o 20.22000       1.118000      807.3765      -134.6 
1 1 1 8  25 24 o 94.89000       2.581000      1448.223      -141.1 
1 1 1 8  25 25 o 3.099000       0.9413000     363.3847      133.7  
1 1 1 8  25 26 o 10.21000       0.9025000     451.8934      118.1  
1 1 1 8  25 27 o 29.85000       1.357000      732.6555      173.0  
1 1 1 8  25 28 o 14.35000       1.153000      743.8271      127.4  
1 1 1 8  25 29 o 23.92000       1.145000      473.9608      -82.1  
1 1 1 8  25 30 o 2.696000       0.8415000     181.2544      -106.7 
1 1 1 8  25 31 o 25.81000       1.072000      847.7501      -56.2  
1 1 1 8  25 32 o 10.36000       0.9069000     573.7866      -148.0 
1 1 1 8  25 33 o 64.19000       1.683000      1282.833      -88.0  
1 1 1 8  25 34 o 23.07000       1.062000      580.0310      53.6   
1 1 1 8  25 35 o 2.936000       0.8876000     409.2480      92.1   
1 1 1 8  25 36 o 33.75000       1.251000      818.2294      -141.9 
1 1 1 8  25 37 o 6.442000       0.9772000     382.1997      -156.7 
1 1 1 8  25 38 o 18.86000       1.228000      761.5515      -176.2 
1 1 1 8  25 39 o 34.30000       1.444000      863.8656      16.3   
1 1 1 8  25 40 o 24.59000       1.170000      684.8286      -163.0 
1 1 1 8  25 41 o 50.93000       1.586000      870.0161      -172.7 
1 1 1 8  25 42 o 3.690000       1.031000      222.5183      -43.3  
1 1 1 8  25 43 o 48.61000       1.593000      1006.307      141.2  
1 1 1 8  25 44 o 12.95000       1.282000      512.3510      67.4   
1 1 1 8  25 45 o 25.56000       1.574000      506.4568      154.9  
1 1 1 8  25 46 o 14.11000       1.662000      463.5781      -14.1  
1 1 1 8  25 47 o 8.768000       1.458000      499.9739      95.7   
1 1 1 8  25 48 o 6.735000       1.356000      444.5850      76.2   
1 1 1 8  25 49 o 11.41000       1.301000      492.7968      45.0   
1 1 1 8  25 50 o 13.01000       1.357000      611.2980      -29.0  
1 1 1 8  25 51 o 4.354000       1.308000      248.4870      98.7   
1 1 1 8  25 52 o 20.42000       1.434000      653.1733      60.5   
1 1 1 8  25 53 o 6.348000       1.448000      353.2283      -92.3  
1 1 1 8  25 54 o 16.76000       1.773000      635.5439      30.6   
1 1 1 8  25 55 o 4.683000       1.409000      ?             ?      
1 1 1 8  25 56 o 8.296000       1.346000      ?             ?      
1 1 1 8  25 57 o 6.706000       1.341000      ?             ?      
1 1 1 8  25 58 o 18.03000       1.461000      ?             ?      
1 1 1 8  25 59 o 23.87000       1.510000      ?             ?      
1 1 1 8  25 60 o 7.500000       1.660000      ?             ?      
1 1 1 8  25 61 o 8.698000       1.789000      ?             ?      
1 1 1 8  25 62 o -2.570000      1.619000      ?             ?      
1 1 1 8  25 63 o 2.562000       1.755000      ?             ?      
1 1 1 8  25 64 o -0.1960000     1.675000      ?             ?      
1 1 1 8  25 65 o 10.47000       1.390000      ?             ?      
1 1 1 8  25 66 o 1.206000       1.314000      ?             ?      
1 1 1 8  25 67 o 3.117000       1.501000      ?             ?      
1 1 1 8  25 68 o 6.880000       1.584000      ?             ?      
1 1 1 8  25 69 o 1.747000       1.358000      ?             ?      
1 1 1 8  25 70 o 4.158000       1.394000      ?             ?      
1 1 1 8  26 0  o 9.144000       1.440000      658.7429      0.0    
1 1 1 8  26 1  o 12.53000       1.425000      341.4856      93.1   
1 1 1 8  26 2  o 30.58000       1.246000      1138.204      -63.4  
1 1 1 8  26 3  o 8.856000       0.7921000     535.3716      109.2  
1 1 1 8  26 4  o 98.43000       2.166000      1761.615      -38.0  
1 1 1 8  26 5  o 149.9000       2.990000      1732.333      47.3   
1 1 1 8  26 6  o 88.59000       1.992000      1424.239      -28.7  
1 1 1 8  26 7  o 1.019000       0.8569000     469.5400      -51.5  
1 1 1 8  26 8  o 84.20000       2.401000      1331.521      -66.0  
1 1 1 8  26 9  o -1.242000      0.8939000     381.7545      170.1  
1 1 1 8  26 10 o 185.7000       4.490000      1924.013      -15.2  
1 1 1 8  26 11 o 239.3000       5.937000      2076.165      -142.6 
1 1 1 8  26 12 o 27.02000       1.292000      786.5248      52.7   
1 1 1 8  26 13 o 30.80000       1.363000      943.2662      -64.7  
1 1 1 8  26 14 o 11.62000       1.008000      244.7699      -136.3 
1 1 1 8  26 15 o 22.56000       1.156000      633.1285      139.8  
1 1 1 8  26 16 o 70.67000       1.912000      1310.032      37.1   
1 1 1 8  26 17 o 13.89000       1.086000      525.9214      100.3  
1 1 1 8  26 18 o 7.759000       1.081000      439.8977      -97.1  
1 1 1 8  26 19 o 32.00000       1.235000      640.5938      -79.0  
1 1 1 8  26 20 o 38.46000       1.503000      1080.298      -45.6  
1 1 1 8  26 21 o 2.784000       0.9054000     320.0006      171.5  
1 1 1 8  26 22 o 14.09000       0.9845000     456.2477      -44.7  
1 1 1 8  26 23 o 39.91000       1.646000      832.0461      -117.9 
1 1 1 8  26 24 o 19.40000       1.258000      686.6169      135.5  
1 1 1 8  26 25 o 2.827000       1.011000      125.9732      50.8   
1 1 1 8  26 26 o 35.39000       1.508000      667.3364      -127.5 
1 1 1 8  26 27 o 8.746000       0.8728000     573.9218      -142.4 
1 1 1 8  26 28 o 34.23000       1.311000      869.9377      -159.8 
1 1 1 8  26 29 o 50.21000       1.719000      915.7297      -96.8  
1 1 1 8  26 30 o 80.16000       2.451000      1275.363      17.9   
1 1 1 8  26 31 o 47.74000       1.398000      983.2731      55.7   
1 1 1 8  26 32 o 10.40000       0.8861000     358.4211      -138.9 
1 1 1 8  26 33 o 5.824000       0.8599000     375.0597      -111.5 
1 1 1 8  26 34 o 2.775000       0.8613000     264.3556      50.9   
1 1 1 8  26 35 o 18.09000       1.017000      476.7903      -164.9 
1 1 1 8  26 36 o 41.38000       1.352000      846.6955      -110.7 
1 1 1 8  26 37 o 5.014000       0.9900000     269.9227      -99.4  
1 1 1 8  26 38 o 6.506000       1.107000      366.9639      -14.9  
1 1 1 8  26 39 o 5.255000       1.007000      337.1630      -20.7  
1 1 1 8  26 40 o 1.744000       0.9533000     175.2830      145.0  
1 1 1 8  26 41 o 2.404000       0.9894000     266.5514      23.5   
1 1 1 8  26 42 o 7.854000       1.053000      399.9013      -36.9  
1 1 1 8  26 43 o 18.05000       1.240000      466.5779      -85.8  
1 1 1 8  26 44 o 5.608000       1.233000      398.5938      -41.8  
1 1 1 8  26 45 o 8.464000       1.393000      409.0266      117.9  
1 1 1 8  26 46 o 47.92000       1.850000      1086.108      135.5  
1 1 1 8  26 47 o -1.305000      1.434000      64.39712      -39.7  
1 1 1 8  26 48 o 4.650000       1.362000      459.5912      -91.2  
1 1 1 8  26 49 o 5.358000       1.268000      348.0565      -159.6 
1 1 1 8  26 50 o 5.842000       1.292000      394.5639      -124.9 
1 1 1 8  26 51 o 5.442000       1.297000      480.9114      -82.3  
1 1 1 8  26 52 o 17.86000       1.490000      664.0910      104.8  
1 1 1 8  26 53 o 19.59000       1.592000      649.7353      33.8   
1 1 1 8  26 54 o -0.3267000     1.416000      ?             ?      
1 1 1 8  26 55 o 5.793000       1.301000      ?             ?      
1 1 1 8  26 56 o 3.425000       1.293000      ?             ?      
1 1 1 8  26 57 o 21.46000       1.483000      ?             ?      
1 1 1 8  26 58 f 3.770000       1.446000      ?             ?      
1 1 1 8  26 59 o 6.147000       1.463000      ?             ?      
1 1 1 8  26 60 o 2.727000       1.457000      ?             ?      
1 1 1 8  26 61 o 2.770000       1.530000      ?             ?      
1 1 1 8  26 62 o 4.529000       1.534000      ?             ?      
1 1 1 8  26 63 o -2.411000      1.713000      ?             ?      
1 1 1 8  26 64 o -0.6210000     1.417000      ?             ?      
1 1 1 8  26 65 o 0.7142000      1.288000      ?             ?      
1 1 1 8  26 66 o 1.603000       1.463000      ?             ?      
1 1 1 8  26 67 o 5.191000       1.793000      ?             ?      
1 1 1 8  26 68 o -0.5491000E-02 1.526000      ?             ?      
1 1 1 8  26 69 o 1.500000       1.349000      ?             ?      
1 1 1 8  26 70 o 4.863000       1.382000      ?             ?      
1 1 1 8  27 0  o 254.5000       8.444000      2132.061      -0.0   
1 1 1 8  27 1  o 63.28000       2.048000      1152.940      178.4  
1 1 1 8  27 2  o 13.76000       1.218000      580.4296      -125.5 
1 1 1 8  27 3  o 49.68000       1.523000      825.7867      103.2  
1 1 1 8  27 4  o -0.8321000     0.7757000     194.6600      -95.2  
1 1 1 8  27 5  o 36.78000       1.266000      825.5664      -3.9   
1 1 1 8  27 6  o 26.25000       1.085000      1044.076      100.4  
1 1 1 8  27 7  o 2.527000       0.8856000     730.0054      145.9  
1 1 1 8  27 8  o 4.618000       0.8038000     355.6638      98.5   
1 1 1 8  27 9  o 20.39000       1.099000      645.0939      -131.0 
1 1 1 8  27 10 o 43.96000       1.614000      1227.399      -75.4  
1 1 1 8  27 11 o 172.9000       4.251000      1666.216      166.7  
1 1 1 8  27 12 o 3.852000       1.082000      310.4185      101.3  
1 1 1 8  27 13 o 186.7000       4.513000      1880.407      86.2   
1 1 1 8  27 14 o 75.31000       2.247000      1341.654      -66.1  
1 1 1 8  27 15 o 18.29000       1.101000      801.3528      112.2  
1 1 1 8  27 16 o -1.295000      0.9735000     255.8327      -33.7  
1 1 1 8  27 17 o 50.47000       1.611000      1204.259      -167.8 
1 1 1 8  27 18 o 59.64000       1.962000      1046.847      37.0   
1 1 1 8  27 19 o 17.96000       1.355000      537.8314      -27.6  
1 1 1 8  27 20 o 130.3000       3.918000      1558.895      -87.6  
1 1 1 8  27 21 o 49.62000       1.739000      772.3129      9.3    
1 1 1 8  27 22 o 31.06000       1.258000      848.2363      -148.7 
1 1 1 8  27 23 o 40.03000       1.367000      879.0600      165.1  
1 1 1 8  27 24 o 12.59000       0.9861000     452.7120      14.9   
1 1 1 8  27 25 o 3.350000       1.050000      128.4062      -24.5  
1 1 1 8  27 26 o -0.3990000     0.9131000     190.8365      -51.3  
1 1 1 8  27 27 o 11.39000       0.9716000     259.2675      -41.4  
1 1 1 8  27 28 o 56.35000       1.742000      983.8539      -55.8  
1 1 1 8  27 29 o 5.420000       1.062000      358.0768      -165.6 
1 1 1 8  27 30 o 0.1921000      1.078000      304.6227      98.9   
1 1 1 8  27 31 o 2.148000       0.9700000     262.6122      58.3   
1 1 1 8  27 32 o 20.46000       0.9978000     681.4286      -135.3 
1 1 1 8  27 33 o 24.09000       1.060000      588.6639      -48.9  
1 1 1 8  27 34 o 12.05000       0.9273000     519.6755      -29.2  
1 1 1 8  27 35 o 10.48000       0.9388000     611.3641      -98.1  
1 1 1 8  27 36 o 4.459000       0.9383000     363.2303      -133.0 
1 1 1 8  27 37 o 2.994000       1.043000      285.9044      45.3   
1 1 1 8  27 38 o 13.46000       1.125000      589.7731      1.2    
1 1 1 8  27 39 o 0.7843000      0.9353000     99.67877      -157.5 
1 1 1 8  27 40 o 25.30000       1.189000      762.6038      140.6  
1 1 1 8  27 41 o 8.495000       1.048000      314.5038      149.0  
1 1 1 8  27 42 o 2.342000       1.025000      215.4774      30.7   
1 1 1 8  27 43 o 26.68000       1.298000      712.2072      95.7   
1 1 1 8  27 44 o 15.38000       1.209000      570.7217      -20.7  
1 1 1 8  27 45 o 11.03000       1.316000      450.0893      -174.6 
1 1 1 8  27 46 o 5.089000       1.391000      297.9716      -19.7  
1 1 1 8  27 47 o 5.928000       1.617000      315.8723      165.5  
1 1 1 8  27 48 o 9.133000       1.552000      541.2134      -15.3  
1 1 1 8  27 49 o 22.95000       1.580000      734.2319      25.5   
1 1 1 8  27 50 o 2.096000       1.261000      246.0210      -115.1 
1 1 1 8  27 51 o 3.193000       1.266000      207.6204      -64.5  
1 1 1 8  27 52 o 9.882000       1.457000      477.6678      21.7   
1 1 1 8  27 53 f 3.164000       1.514000      ?             ?      
1 1 1 8  27 54 o 9.536000       1.393000      ?             ?      
1 1 1 8  27 55 o 3.985000       1.265000      ?             ?      
1 1 1 8  27 56 o 2.653000       1.452000      ?             ?      
1 1 1 8  27 57 o 1.378000       1.441000      ?             ?      
1 1 1 8  27 58 o 2.456000       1.613000      ?             ?      
1 1 1 8  27 59 o 2.757000       1.661000      ?             ?      
1 1 1 8  27 60 o 1.851000       1.413000      ?             ?      
1 1 1 8  27 61 o 8.524000       1.462000      ?             ?      
1 1 1 8  27 62 o 0.4368000      1.385000      ?             ?      
1 1 1 8  27 63 o 1.066000       1.630000      ?             ?      
1 1 1 8  27 64 o 2.524000       1.552000      ?             ?      
1 1 1 8  27 65 o 0.5021000      1.419000      ?             ?      
1 1 1 8  27 66 o 0.3690000      1.466000      ?             ?      
1 1 1 8  27 67 o 3.940000       1.532000      ?             ?      
1 1 1 8  27 68 o 3.766000       1.362000      ?             ?      
1 1 1 8  27 69 o 3.019000       1.352000      ?             ?      
1 1 1 8  27 70 o -0.8681000     1.776000      ?             ?      
1 1 1 8  28 1  o -3.749000      1.222000      48.78702      117.3  
1 1 1 8  28 2  o 8.203000       1.164000      552.0397      -37.1  
1 1 1 8  28 3  o 36.88000       1.280000      852.4297      -16.0  
1 1 1 8  28 4  o 3.104000       0.8427000     375.6103      -136.3 
1 1 1 8  28 5  o 48.99000       1.472000      992.5248      -7.7   
1 1 1 8  28 6  o 12.77000       0.8698000     555.9023      -115.9 
1 1 1 8  28 7  o 8.346000       0.9710000     495.0274      116.6  
1 1 1 8  28 8  o 20.49000       1.042000      554.6112      -93.9  
1 1 1 8  28 9  o 16.99000       1.293000      567.8271      -96.2  
1 1 1 8  28 10 o 1.857000       0.9376000     204.0957      51.2   
1 1 1 8  28 11 o 20.31000       1.108000      576.6569      109.5  
1 1 1 8  28 12 o 11.99000       1.137000      681.0117      115.2  
1 1 1 8  28 13 o -0.1396000     1.067000      285.1736      -145.9 
1 1 1 8  28 14 o 23.97000       1.273000      473.5911      159.7  
1 1 1 8  28 15 o 8.752000       1.017000      37.62692      144.8  
1 1 1 8  28 16 o 12.21000       1.034000      521.4973      -86.4  
1 1 1 8  28 17 o 70.95000       2.206000      1034.467      135.9  
1 1 1 8  28 18 o 15.35000       1.307000      449.7386      158.7  
1 1 1 8  28 19 o 0.8205000      1.210000      125.0726      -32.9  
1 1 1 8  28 20 o 38.77000       1.757000      896.0195      30.3   
1 1 1 8  28 21 o 18.35000       1.064000      508.8799      -80.7  
1 1 1 8  28 22 o -0.3779000     0.7898000     30.89321      139.0  
1 1 1 8  28 23 o 12.94000       0.8820000     613.0966      105.1  
1 1 1 8  28 24 o 6.902000       0.8638000     476.0387      -81.2  
1 1 1 8  28 25 o 8.464000       0.9761000     312.8251      68.9   
1 1 1 8  28 26 o -0.4554000E-01 0.9078000     70.52007      -78.5  
1 1 1 8  28 27 o 1.814000       0.9133000     280.9337      71.3   
1 1 1 8  28 28 o 31.76000       1.426000      849.4583      -65.6  
1 1 1 8  28 29 o 7.671000       1.041000      420.0025      -121.2 
1 1 1 8  28 30 o 33.62000       1.483000      849.6239      61.4   
1 1 1 8  28 31 o 3.798000       1.021000      222.4811      81.6   
1 1 1 8  28 32 o 18.48000       1.035000      614.5068      -3.6   
1 1 1 8  28 33 o 17.44000       0.9836000     587.4294      44.1   
1 1 1 8  28 34 o 17.88000       0.9865000     624.5389      73.3   
1 1 1 8  28 35 o 9.335000       0.9228000     320.1805      -96.8  
1 1 1 8  28 36 o 4.693000       0.9836000     307.3470      90.4   
1 1 1 8  28 37 o 7.835000       1.106000      312.8717      -163.5 
1 1 1 8  28 38 o 3.440000       0.9855000     217.0175      -34.5  
1 1 1 8  28 39 o 2.878000       0.9987000     208.7862      -68.0  
1 1 1 8  28 40 o 6.616000       1.011000      407.6904      -23.4  
1 1 1 8  28 41 o 15.41000       1.113000      552.5837      27.5   
1 1 1 8  28 42 o 11.68000       1.114000      351.4523      -149.8 
1 1 1 8  28 43 o 6.886000       1.105000      197.9294      -17.9  
1 1 1 8  28 44 o 6.282000       1.134000      157.7818      95.9   
1 1 1 8  28 45 o 5.987000       1.256000      405.4851      109.2  
1 1 1 8  28 46 o 1.898000       1.373000      247.3023      138.6  
1 1 1 8  28 47 o 15.70000       1.440000      565.0903      -18.0  
1 1 1 8  28 48 o 11.78000       1.448000      537.5294      -152.6 
1 1 1 8  28 49 o 15.29000       1.501000      553.6103      80.6   
1 1 1 8  28 50 o 2.739000       1.254000      147.0455      96.2   
1 1 1 8  28 51 o 1.849000       1.323000      209.4746      -85.6  
1 1 1 8  28 52 o 14.34000       1.618000      523.5866      76.1   
1 1 1 8  28 53 o 1.077000       1.381000      ?             ?      
1 1 1 8  28 54 o 0.1194000      1.379000      ?             ?      
1 1 1 8  28 55 o 8.052000       1.456000      ?             ?      
1 1 1 8  28 56 o 1.802000       1.646000      ?             ?      
1 1 1 8  28 57 o -0.1517000     1.374000      ?             ?      
1 1 1 8  28 58 o 2.455000       1.372000      ?             ?      
1 1 1 8  28 59 o 6.304000       1.397000      ?             ?      
1 1 1 8  28 60 o 1.390000       1.259000      ?             ?      
1 1 1 8  28 61 o -1.674000      1.248000      ?             ?      
1 1 1 8  28 62 o 2.173000       1.384000      ?             ?      
1 1 1 8  28 63 o 0.4495000      1.499000      ?             ?      
1 1 1 8  28 64 o 3.208000       1.680000      ?             ?      
1 1 1 8  28 65 o 1.293000       1.668000      ?             ?      
1 1 1 8  28 66 o -0.3731000     1.709000      ?             ?      
1 1 1 8  28 67 o 3.275000       2.079000      ?             ?      
1 1 1 8  28 68 o 2.305000       1.360000      ?             ?      
1 1 1 8  28 69 o 1.744000       1.352000      ?             ?      
1 1 1 8  29 0  o 0.3274000      1.372000      60.26856      -180.0 
1 1 1 8  29 1  o 19.59000       1.434000      696.4818      161.1  
1 1 1 8  29 2  o 35.74000       1.583000      617.8099      7.1    
1 1 1 8  29 3  o 20.04000       1.192000      458.6216      -94.1  
1 1 1 8  29 4  o 21.13000       1.086000      622.1093      -78.3  
1 1 1 8  29 5  o 12.89000       0.8946000     364.8281      -113.0 
1 1 1 8  29 6  o 44.72000       1.311000      817.9106      65.8   
1 1 1 8  29 7  o 2.963000       0.8462000     291.7893      -79.6  
1 1 1 8  29 8  o 41.74000       1.376000      603.5862      -118.8 
1 1 1 8  29 9  o 11.83000       0.9821000     718.6321      -126.0 
1 1 1 8  29 10 o 4.038000       0.9593000     237.6049      106.9  
1 1 1 8  29 11 o 26.54000       1.339000      622.9690      170.3  
1 1 1 8  29 12 o 23.97000       1.302000      551.4875      150.1  
1 1 1 8  29 13 o 25.43000       1.455000      556.0339      -27.2  
1 1 1 8  29 14 o 8.962000       1.105000      497.7373      -18.5  
1 1 1 8  29 15 o 22.74000       1.235000      517.7048      102.6  
1 1 1 8  29 16 o 7.114000       1.192000      485.0964      -117.7 
1 1 1 8  29 17 o 9.275000       1.040000      295.3442      103.6  
1 1 1 8  29 18 o 8.757000       1.269000      493.4821      64.7   
1 1 1 8  29 19 o -2.003000      1.029000      132.4362      -137.9 
1 1 1 8  29 20 o 0.2317000      1.235000      263.0461      -146.2 
1 1 1 8  29 21 o -0.9435000E-01 1.001000      94.39172      154.4  
1 1 1 8  29 22 o 27.96000       1.291000      567.7172      23.8   
1 1 1 8  29 23 o 1.829000       0.7571000     254.7882      74.3   
1 1 1 8  29 24 o 2.625000       0.7474000     149.5845      -121.9 
1 1 1 8  29 25 o 3.476000       0.7796000     104.9294      -37.9  
1 1 1 8  29 26 o 14.34000       0.9578000     473.0707      -41.3  
1 1 1 8  29 27 o 50.84000       1.840000      1038.289      -6.1   
1 1 1 8  29 28 o 5.485000       0.9752000     330.2679      -174.3 
1 1 1 8  29 29 o 14.84000       0.9140000     459.0982      117.1  
1 1 1 8  29 30 o 4.533000       1.020000      230.1482      -158.1 
1 1 1 8  29 31 o 0.8819000      1.438000      152.2842      145.3  
1 1 1 8  29 32 o 5.493000       1.308000      336.8568      -32.1  
1 1 1 8  29 33 o 5.583000       0.8749000     235.3834      32.5   
1 1 1 8  29 34 o 7.926000       0.9297000     350.2056      -112.8 
1 1 1 8  29 35 o 7.441000       0.9709000     473.2051      151.5  
1 1 1 8  29 36 o 4.151000       1.028000      300.1380      -31.4  
1 1 1 8  29 37 o 2.766000       0.9907000     170.2088      -6.5   
1 1 1 8  29 38 o 7.769000       0.9775000     418.9748      54.5   
1 1 1 8  29 39 o 21.13000       1.148000      653.4575      65.9   
1 1 1 8  29 40 o 0.4884000      0.9877000     103.6766      94.4   
1 1 1 8  29 41 o 3.782000       1.049000      241.7823      170.2  
1 1 1 8  29 42 o 8.798000       1.114000      358.4153      150.8  
1 1 1 8  29 43 o 4.119000       1.105000      181.9289      58.5   
1 1 1 8  29 44 o 6.098000       1.141000      505.5015      -30.8  
1 1 1 8  29 45 o 1.472000       1.138000      213.7333      159.8  
1 1 1 8  29 46 o 2.941000       1.301000      93.17455      -149.7 
1 1 1 8  29 47 o 1.709000       1.430000      106.3223      178.1  
1 1 1 8  29 48 o -0.3492000     1.685000      52.54736      -58.9  
1 1 1 8  29 49 f -0.4164000     1.516000      269.1550      -90.5  
1 1 1 8  29 50 o 1.451000       1.412000      213.6759      157.3  
1 1 1 8  29 51 o 10.72000       1.484000      349.0275      68.6   
1 1 1 8  29 52 o 1.293000       1.738000      ?             ?      
1 1 1 8  29 53 o 1.695000       1.343000      ?             ?      
1 1 1 8  29 54 o -1.807000      1.611000      ?             ?      
1 1 1 8  29 55 o 2.819000       1.393000      ?             ?      
1 1 1 8  29 56 o -1.455000      1.356000      ?             ?      
1 1 1 8  29 57 o 4.773000       1.259000      ?             ?      
1 1 1 8  29 58 f 2.929000       1.229000      ?             ?      
1 1 1 8  29 59 o 2.771000       1.233000      ?             ?      
1 1 1 8  29 60 o 1.479000       1.245000      ?             ?      
1 1 1 8  29 61 o 0.4073000      1.240000      ?             ?      
1 1 1 8  29 62 o 7.094000       1.329000      ?             ?      
1 1 1 8  29 63 o 0.2815000      1.409000      ?             ?      
1 1 1 8  29 64 o 0.9896000      1.656000      ?             ?      
1 1 1 8  29 65 o 0.9851000      1.884000      ?             ?      
1 1 1 8  29 66 o -0.7046000     1.716000      ?             ?      
1 1 1 8  29 67 o 5.983000       1.385000      ?             ?      
1 1 1 8  29 68 o -0.4464000     1.331000      ?             ?      
1 1 1 8  30 0  o 18.29000       1.576000      501.7780      -0.0   
1 1 1 8  30 1  o 1.603000       1.083000      240.0981      25.3   
1 1 1 8  30 2  o 15.40000       1.186000      342.4179      -46.4  
1 1 1 8  30 3  o 19.96000       1.183000      553.5737      -64.8  
1 1 1 8  30 4  o 19.57000       1.053000      529.8162      -119.4 
1 1 1 8  30 5  o -0.8471000E-02 0.9265000     79.80698      22.3   
1 1 1 8  30 6  o -0.5041000     0.8332000     259.3776      130.1  
1 1 1 8  30 7  o 8.981000       0.8536000     510.5573      68.8   
1 1 1 8  30 8  o 1.257000       0.8174000     186.5059      -109.0 
1 1 1 8  30 9  o 3.713000       0.8350000     230.6585      -165.7 
1 1 1 8  30 10 o 10.32000       1.121000      296.7229      1.7    
1 1 1 8  30 11 o 7.110000       0.9782000     281.6390      -10.7  
1 1 1 8  30 12 o 39.75000       1.558000      798.6180      160.9  
1 1 1 8  30 13 o -0.5286000     1.071000      84.48950      175.9  
1 1 1 8  30 14 o 41.85000       1.619000      741.0671      73.8   
1 1 1 8  30 15 o -2.866000      1.049000      74.41204      -130.0 
1 1 1 8  30 16 o 9.016000       1.113000      263.3361      -173.2 
1 1 1 8  30 17 o 28.95000       1.498000      602.0819      166.8  
1 1 1 8  30 18 o 8.194000       1.252000      279.7281      168.9  
1 1 1 8  30 19 o 3.947000       1.214000      214.2657      -33.5  
1 1 1 8  30 20 o 2.040000       1.244000      181.2428      0.4    
1 1 1 8  30 21 o 2.732000       0.9800000     82.16186      -126.6 
1 1 1 8  30 22 o 12.14000       1.046000      629.1115      37.1   
1 1 1 8  30 23 o 1.302000       0.7603000     93.96598      78.9   
1 1 1 8  30 24 f 2.358000       0.7328000     202.3964      1.4    
1 1 1 8  30 25 o 1.866000       0.7482000     334.4039      137.4  
1 1 1 8  30 26 o 5.764000       0.9075000     399.1391      137.7  
1 1 1 8  30 27 o 1.232000       0.8412000     175.6671      -64.0  
1 1 1 8  30 28 o 3.885000       0.8740000     191.6587      0.0    
1 1 1 8  30 29 o 4.879000       0.8281000     233.0973      -47.9  
1 1 1 8  30 30 o 17.46000       1.278000      391.8022      37.6   
1 1 1 8  30 31 o 2.125000       1.071000      156.3765      79.6   
1 1 1 8  30 32 o 9.682000       1.430000      485.6221      91.5   
1 1 1 8  30 33 o 12.12000       1.261000      546.0170      68.9   
1 1 1 8  30 34 o 0.9021000      0.9458000     130.7553      -126.4 
1 1 1 8  30 35 o 0.8961000      1.007000      42.98879      -108.6 
1 1 1 8  30 36 o 1.563000       1.044000      154.5130      57.0   
1 1 1 8  30 37 o 2.532000       0.9856000     186.8392      -15.6  
1 1 1 8  30 38 o 9.605000       1.180000      364.0528      80.0   
1 1 1 8  30 39 o 0.9305000      0.9772000     178.7974      -36.6  
1 1 1 8  30 40 o 2.010000       1.005000      167.5186      124.6  
1 1 1 8  30 41 o 5.644000       1.076000      349.2280      -14.1  
1 1 1 8  30 42 o 14.01000       1.183000      537.2077      -127.6 
1 1 1 8  30 43 o 8.816000       1.149000      371.5953      -10.8  
1 1 1 8  30 44 o 5.993000       1.159000      274.3530      153.0  
1 1 1 8  30 45 o 18.00000       1.406000      590.4819      123.8  
1 1 1 8  30 46 o -1.102000      1.176000      203.5896      -69.0  
1 1 1 8  30 47 o 4.292000       1.432000      178.8935      -69.1  
1 1 1 8  30 48 o 3.734000       1.364000      140.9790      -141.2 
1 1 1 8  30 49 o 0.1050000      1.391000      95.59825      81.4   
1 1 1 8  30 50 o 8.543000       1.772000      315.5526      120.1  
1 1 1 8  30 51 o 3.110000       1.739000      ?             ?      
1 1 1 8  30 52 o 1.848000       2.268000      ?             ?      
1 1 1 8  30 53 o 1.808000       1.368000      ?             ?      
1 1 1 8  30 54 o 3.828000       1.401000      ?             ?      
1 1 1 8  30 55 o 11.40000       1.323000      ?             ?      
1 1 1 8  30 56 o 4.184000       1.235000      ?             ?      
1 1 1 8  30 57 o 0.5461000      1.200000      ?             ?      
1 1 1 8  30 58 o 1.557000       1.195000      ?             ?      
1 1 1 8  30 59 o 0.1365000      1.188000      ?             ?      
1 1 1 8  30 60 o 2.017000       1.212000      ?             ?      
1 1 1 8  30 61 o 1.381000       1.231000      ?             ?      
1 1 1 8  30 62 o -0.7541000     1.257000      ?             ?      
1 1 1 8  30 63 o 0.1479000      1.508000      ?             ?      
1 1 1 8  30 64 o 4.051000       1.791000      ?             ?      
1 1 1 8  30 65 o -0.6278000     2.271000      ?             ?      
1 1 1 8  30 66 o -0.2069000     1.898000      ?             ?      
1 1 1 8  30 67 o 1.097000       1.322000      ?             ?      
1 1 1 8  30 68 o 0.1787000      1.889000      ?             ?      
1 1 1 8  31 0  o 27.92000       2.132000      512.8215      -0.0   
1 1 1 8  31 1  o 2.510000       1.012000      168.3081      12.0   
1 1 1 8  31 2  o 1.075000       0.9841000     210.5020      130.4  
1 1 1 8  31 3  o 14.89000       1.112000      215.9021      141.6  
1 1 1 8  31 4  o 27.81000       1.516000      510.0659      -80.2  
1 1 1 8  31 5  o 4.697000       0.8970000     111.8254      57.9   
1 1 1 8  31 6  o 7.105000       0.8368000     376.6819      -154.4 
1 1 1 8  31 7  o 10.64000       0.8480000     402.2242      -17.0  
1 1 1 8  31 8  o 4.429000       0.8035000     105.0041      -129.0 
1 1 1 8  31 9  o -0.7049000E-01 0.8213000     135.7577      167.2  
1 1 1 8  31 10 o 8.302000       1.102000      171.5157      -22.0  
1 1 1 8  31 11 o 1.755000       0.9245000     25.97550      25.3   
1 1 1 8  31 12 o -0.1075000E-01 1.030000      193.6082      116.4  
1 1 1 8  31 13 o 3.030000       1.026000      39.59864      157.0  
1 1 1 8  31 14 o -1.197000      1.024000      123.7749      110.5  
1 1 1 8  31 15 o 16.66000       1.226000      349.0467      -28.5  
1 1 1 8  31 16 o 7.437000       1.105000      206.5876      164.8  
1 1 1 8  31 17 o 2.778000       1.437000      125.1174      -59.9  
1 1 1 8  31 18 o 0.9845000      1.040000      148.8739      -33.0  
1 1 1 8  31 19 o 4.312000       1.241000      96.93874      149.3  
1 1 1 8  31 20 f 0.7035000      0.9589000     173.6366      12.3   
1 1 1 8  31 21 o 10.77000       1.058000      235.3389      51.3   
1 1 1 8  31 22 o 1.812000       0.9376000     188.6188      31.0   
1 1 1 8  31 23 o 1.151000       0.9072000     58.30954      127.0  
1 1 1 8  31 24 o 5.013000       0.7585000     183.1765      -70.3  
1 1 1 8  31 25 o 1.761000       0.7174000     124.7572      45.7   
1 1 1 8  31 26 o -0.2827000     0.7360000     105.4554      47.7   
1 1 1 8  31 27 o 12.10000       1.174000      169.1716      37.8   
1 1 1 8  31 28 o 0.2334000      0.8228000     158.7463      74.7   
1 1 1 8  31 29 o 1.363000       0.8604000     230.5385      114.0  
1 1 1 8  31 30 o -0.3434000     0.8067000     24.79609      -3.4   
1 1 1 8  31 31 o 2.121000       0.8313000     74.12237      -24.3  
1 1 1 8  31 32 o 1.314000       0.9463000     110.1124      -67.1  
1 1 1 8  31 33 o 8.402000       1.280000      298.9217      -179.5 
1 1 1 8  31 34 o 3.507000       1.184000      138.0387      -143.2 
1 1 1 8  31 35 o 8.195000       1.061000      320.3795      33.1   
1 1 1 8  31 36 o 2.733000       1.218000      208.7659      13.3   
1 1 1 8  31 37 o 2.956000       1.032000      168.6584      156.9  
1 1 1 8  31 38 o 2.878000       1.049000      185.6310      63.2   
1 1 1 8  31 39 o 12.57000       1.085000      366.4659      39.6   
1 1 1 8  31 40 o 8.471000       1.359000      205.6371      -160.0 
1 1 1 8  31 41 o 7.547000       1.153000      238.9014      -149.3 
1 1 1 8  31 42 o 3.549000       1.114000      136.5081      93.7   
1 1 1 8  31 43 o 7.359000       1.156000      219.2947      -68.4  
1 1 1 8  31 44 o 1.049000       1.140000      87.54917      -26.3  
1 1 1 8  31 45 o 0.9758000      1.148000      136.6778      -172.2 
1 1 1 8  31 46 o 5.441000       1.198000      328.1006      -132.5 
1 1 1 8  31 47 o 0.6489000      1.317000      148.7392      1.8    
1 1 1 8  31 48 o 6.391000       1.799000      203.8470      -33.4  
1 1 1 8  31 49 o 0.6665000      1.353000      92.95930      58.8   
1 1 1 8  31 50 o 3.608000       2.422000      ?             ?      
1 1 1 8  31 51 o -0.8636000     1.993000      ?             ?      
1 1 1 8  31 52 o 2.961000       1.507000      ?             ?      
1 1 1 8  31 53 o 2.815000       1.230000      ?             ?      
1 1 1 8  31 54 o -1.546000      1.215000      ?             ?      
1 1 1 8  31 55 o -0.3008000     1.209000      ?             ?      
1 1 1 8  31 56 o 0.9013000      1.196000      ?             ?      
1 1 1 8  31 57 o 0.8249000      1.194000      ?             ?      
1 1 1 8  31 58 o 0.1940000      1.176000      ?             ?      
1 1 1 8  31 59 o -0.8270000     1.181000      ?             ?      
1 1 1 8  31 60 o 0.1870000E-01  1.202000      ?             ?      
1 1 1 8  31 61 o -0.4741000     1.222000      ?             ?      
1 1 1 8  31 62 o 8.900000       1.332000      ?             ?      
1 1 1 8  31 63 o 0.4303000      1.256000      ?             ?      
1 1 1 8  31 64 o -2.696000      1.584000      ?             ?      
1 1 1 8  31 65 o 3.041000       2.279000      ?             ?      
1 1 1 8  31 66 o 1.746000       2.197000      ?             ?      
1 1 1 8  31 67 o -1.648000      1.469000      ?             ?      
1 1 1 8  32 0  o 3.673000       1.510000      182.6335      0.0    
1 1 1 8  32 1  o 2.388000       1.157000      147.0397      -62.1  
1 1 1 8  32 2  o 4.544000       0.8302000     156.3661      -112.7 
1 1 1 8  32 3  o 0.8179000      0.9549000     141.6499      133.8  
1 1 1 8  32 4  o 0.4679000      0.9942000     26.75448      -90.8  
1 1 1 8  32 5  o 2.942000       0.8891000     119.9489      -35.0  
1 1 1 8  32 6  o 0.2908000      0.7902000     130.2966      151.5  
1 1 1 8  32 7  o 6.945000       1.142000      128.4368      54.6   
1 1 1 8  32 8  o 7.154000       0.9009000     199.9407      111.0  
1 1 1 8  32 9  o 1.995000       0.8234000     105.0950      -69.7  
1 1 1 8  32 10 o -1.256000      0.9326000     261.9687      -141.1 
1 1 1 8  32 11 o -1.296000      0.9231000     89.73720      16.1   
1 1 1 8  32 12 o 2.634000       1.093000      189.8120      -174.7 
1 1 1 8  32 13 o 2.043000       1.006000      109.9423      -161.2 
1 1 1 8  32 14 o -0.8111000     1.003000      65.39085      -130.5 
1 1 1 8  32 15 o 1.305000       1.035000      95.79015      -97.5  
1 1 1 8  32 16 o -0.7146000     1.346000      185.9858      -4.3   
1 1 1 8  32 17 o 12.52000       1.581000      164.3510      -143.5 
1 1 1 8  32 18 o 8.135000       1.645000      188.2035      95.3   
1 1 1 8  32 19 o 1.961000       0.8471000     129.5452      -20.3  
1 1 1 8  32 20 o 7.915000       1.077000      149.8559      -107.4 
1 1 1 8  32 21 o 10.07000       1.346000      386.6684      70.8   
1 1 1 8  32 22 o 1.811000       0.9176000     27.42850      99.8   
1 1 1 8  32 23 o 4.655000       0.9262000     185.7258      -100.6 
1 1 1 8  32 24 o 0.9530000      0.8897000     99.13118      152.3  
1 1 1 8  32 25 o 2.188000       0.7342000     137.6521      97.8   
1 1 1 8  32 26 o 2.310000       0.7104000     206.8835      179.0  
1 1 1 8  32 27 o -0.4276000     0.8278000     53.67531      144.5  
1 1 1 8  32 28 o 2.662000       0.8172000     135.2956      -92.7  
1 1 1 8  32 29 o 5.757000       0.8341000     150.4637      -140.8 
1 1 1 8  32 30 o 8.037000       0.9390000     245.3730      -164.8 
1 1 1 8  32 31 o 2.729000       0.8805000     106.2720      157.4  
1 1 1 8  32 32 o 1.060000       0.9595000     4.366888      104.4  
1 1 1 8  32 33 o 7.474000       1.039000      136.4859      57.0   
1 1 1 8  32 34 o 4.466000       1.352000      200.6162      -120.7 
1 1 1 8  32 35 o 2.526000       1.023000      104.0465      -41.5  
1 1 1 8  32 36 o 0.8807000E-01  0.9742000     55.98628      -149.8 
1 1 1 8  32 37 o 0.8456000      0.9524000     128.0040      73.8   
1 1 1 8  32 38 o 1.619000       0.9601000     90.56019      -85.5  
1 1 1 8  32 39 o 6.012000       1.062000      224.9341      114.1  
1 1 1 8  32 40 o 8.969000       1.273000      234.8375      5.6    
1 1 1 8  32 41 o 13.27000       1.368000      301.2384      -72.3  
1 1 1 8  32 42 o 4.082000       1.158000      189.0487      -86.3  
1 1 1 8  32 43 o 8.151000       1.235000      289.9477      166.0  
1 1 1 8  32 44 o 1.964000       1.188000      116.0011      107.7  
1 1 1 8  32 45 o 0.3994000E-01  1.217000      101.4646      -10.6  
1 1 1 8  32 46 o 7.878000       1.379000      227.1315      129.6  
1 1 1 8  32 47 o 2.341000       1.215000      135.0544      44.7   
1 1 1 8  32 48 o -0.2268000     1.757000      62.64240      -92.1  
1 1 1 8  32 49 o -0.6841000     1.379000      ?             ?      
1 1 1 8  32 50 o 4.979000       2.048000      ?             ?      
1 1 1 8  32 51 o 1.046000       1.758000      ?             ?      
1 1 1 8  32 52 o -1.413000      1.329000      ?             ?      
1 1 1 8  32 53 o 1.885000       1.187000      ?             ?      
1 1 1 8  32 54 o 2.487000       1.200000      ?             ?      
1 1 1 8  32 55 o 0.1742000      1.182000      ?             ?      
1 1 1 8  32 56 o 2.968000       1.199000      ?             ?      
1 1 1 8  32 57 o 1.533000       1.179000      ?             ?      
1 1 1 8  32 58 o 0.9637000      1.172000      ?             ?      
1 1 1 8  32 59 o -1.834000      1.185000      ?             ?      
1 1 1 8  32 60 o 1.835000       1.210000      ?             ?      
1 1 1 8  32 61 o 7.413000       1.293000      ?             ?      
1 1 1 8  32 62 o -1.980000      1.236000      ?             ?      
1 1 1 8  32 63 o 2.583000       1.375000      ?             ?      
1 1 1 8  32 64 o -0.5287000     1.902000      ?             ?      
1 1 1 8  32 65 o 2.593000       1.797000      ?             ?      
1 1 1 8  32 66 o 1.815000       1.679000      ?             ?      
1 1 1 8  32 67 o -0.4902000E-01 1.579000      ?             ?      
1 1 1 8  33 0  o 16.83000       1.717000      348.1490      -0.0   
1 1 1 8  33 1  o 0.8696000      0.8312000     151.4604      -76.8  
1 1 1 8  33 2  o -0.1641000     0.7773000     193.7400      75.3   
1 1 1 8  33 3  o -0.1556000     0.8999000     208.0629      -73.9  
1 1 1 8  33 4  o 10.15000       1.173000      424.8006      -172.2 
1 1 1 8  33 5  o 1.388000       0.9533000     255.3399      138.8  
1 1 1 8  33 6  f 0.7959000      0.8158000     215.9972      -29.7  
1 1 1 8  33 7  o 17.43000       1.216000      295.6181      -115.1 
1 1 1 8  33 8  f 6.900000       0.8180000     196.6295      70.6   
1 1 1 8  33 9  o 2.478000       0.8009000     215.7336      32.1   
1 1 1 8  33 10 o 10.50000       1.138000      237.2104      -89.0  
1 1 1 8  33 11 o 0.6375000      0.9129000     108.5581      -60.6  
1 1 1 8  33 12 o 1.003000       0.8837000     195.5418      106.1  
1 1 1 8  33 13 o 1.652000       0.6867000     303.9579      -145.9 
1 1 1 8  33 14 o 30.11000       1.453000      305.4496      118.1  
1 1 1 8  33 15 o 2.932000       1.038000      153.2686      151.9  
1 1 1 8  33 16 o 9.825000       1.502000      325.4581      27.5   
1 1 1 8  33 17 o 12.61000       1.274000      451.4970      -137.8 
1 1 1 8  33 18 o 1.790000       1.511000      165.9090      -166.2 
1 1 1 8  33 19 o 6.092000       1.144000      206.9498      -173.7 
1 1 1 8  33 20 o 9.825000       1.049000      570.3967      177.9  
1 1 1 8  33 21 o 2.007000       0.9440000     57.37183      -73.9  
1 1 1 8  33 22 o 13.86000       1.150000      328.2462      117.9  
1 1 1 8  33 23 o 0.7995000      0.8968000     152.3005      103.0  
1 1 1 8  33 24 o 8.813000       1.010000      292.0237      -141.4 
1 1 1 8  33 25 o -0.2839000     0.8687000     153.7098      -109.0 
1 1 1 8  33 26 o 2.225000       0.7203000     187.0168      98.7   
1 1 1 8  33 27 o 1.888000       0.7272000     128.5151      159.4  
1 1 1 8  33 28 o 0.4361000      0.7183000     154.9367      -44.2  
1 1 1 8  33 29 o 1.475000       0.8005000     117.2783      16.6   
1 1 1 8  33 30 o -0.1573000E-02 0.7876000     62.50132      -32.6  
1 1 1 8  33 31 o 2.486000       0.8048000     151.2584      -175.9 
1 1 1 8  33 32 o 6.062000       0.8692000     240.6799      47.8   
1 1 1 8  33 33 o -0.2692000     1.013000      115.5253      -35.0  
1 1 1 8  33 34 o 0.2209000      1.504000      80.89510      78.6   
1 1 1 8  33 35 o 3.566000       1.341000      251.7975      -55.4  
1 1 1 8  33 36 o 4.997000       0.9435000     286.3638      169.3  
1 1 1 8  33 37 o 2.328000       0.9416000     114.3608      -18.7  
1 1 1 8  33 38 o 4.404000       0.9721000     218.9387      93.3   
1 1 1 8  33 39 o 5.216000       1.081000      205.2066      -150.4 
1 1 1 8  33 40 f 11.30000       1.283000      105.6687      -12.7  
1 1 1 8  33 41 o 5.156000       1.141000      214.7724      21.9   
1 1 1 8  33 42 o 11.15000       1.192000      417.7777      -49.7  
1 1 1 8  33 43 o 1.519000       1.671000      135.4308      -18.7  
1 1 1 8  33 44 o 6.039000       1.745000      141.8549      -167.4 
1 1 1 8  33 45 o 5.185000       1.371000      251.2611      -179.3 
1 1 1 8  33 46 f 1.169000       2.084000      77.25275      -21.1  
1 1 1 8  33 47 o 1.266000       1.264000      129.2296      -26.2  
1 1 1 8  33 48 o -0.4786000E-01 1.403000      66.67538      128.7  
1 1 1 8  33 49 o 3.082000       2.319000      ?             ?      
1 1 1 8  33 50 o 6.414000       1.763000      ?             ?      
1 1 1 8  33 51 o 2.959000       1.386000      ?             ?      
1 1 1 8  33 52 o 1.429000       1.455000      ?             ?      
1 1 1 8  33 53 o 0.5694000      1.291000      ?             ?      
1 1 1 8  33 54 o 3.893000       1.183000      ?             ?      
1 1 1 8  33 55 o 5.001000       1.196000      ?             ?      
1 1 1 8  33 56 o 1.081000       1.163000      ?             ?      
1 1 1 8  33 57 o -0.3504000     1.162000      ?             ?      
1 1 1 8  33 58 o 0.1987000      1.170000      ?             ?      
1 1 1 8  33 59 o 1.870000       1.201000      ?             ?      
1 1 1 8  33 60 o 3.258000       1.218000      ?             ?      
1 1 1 8  33 61 o -0.6931000     1.223000      ?             ?      
1 1 1 8  33 62 o -0.9236000     1.223000      ?             ?      
1 1 1 8  33 63 o -2.359000      1.359000      ?             ?      
1 1 1 8  33 64 o -1.632000      1.390000      ?             ?      
1 1 1 8  33 65 o 2.986000       1.440000      ?             ?      
1 1 1 8  33 66 o 2.817000       1.452000      ?             ?      
1 1 1 8  34 0  o -2.681000      1.210000      52.72194      0.0    
1 1 1 8  34 1  o 3.501000       0.8667000     315.8249      132.5  
1 1 1 8  34 2  o 3.646000       0.8208000     256.5439      -38.8  
1 1 1 8  34 3  o 4.909000       0.7849000     255.6559      -159.9 
1 1 1 8  34 4  o 0.8751000      0.8654000     69.65723      54.6   
1 1 1 8  34 5  o 1.428000       0.9053000     59.53038      -126.4 
1 1 1 8  34 6  o 9.782000       0.8528000     454.6494      10.9   
1 1 1 8  34 7  o -0.2800000     0.7463000     258.0362      146.5  
1 1 1 8  34 8  o -0.7346000     0.7545000     140.3773      -8.7   
1 1 1 8  34 9  o 11.87000       1.006000      558.4130      105.1  
1 1 1 8  34 10 o -0.7098000     0.9100000     25.62384      -29.3  
1 1 1 8  34 11 o 3.116000       0.8731000     210.8259      -136.9 
1 1 1 8  34 12 o 2.149000       0.8723000     86.21983      69.6   
1 1 1 8  34 13 o 2.755000       0.9760000     414.1665      80.0   
1 1 1 8  34 14 o -0.8241000E-01 0.9906000     184.9858      179.9  
1 1 1 8  34 15 o 2.208000       1.297000      213.2690      154.0  
1 1 1 8  34 16 o 1.646000       1.314000      160.1664      -13.3  
1 1 1 8  34 17 o -1.531000      1.460000      137.0540      -60.4  
1 1 1 8  34 18 o 6.378000       1.492000      252.7356      -70.9  
1 1 1 8  34 19 o 5.724000       1.076000      198.4893      -163.8 
1 1 1 8  34 20 o 16.94000       1.187000      417.2218      103.3  
1 1 1 8  34 21 o 2.814000       0.8985000     235.8298      138.6  
1 1 1 8  34 22 o -0.4984000     0.8844000     210.8986      -80.9  
1 1 1 8  34 23 o 2.993000       0.9094000     176.2967      -37.9  
1 1 1 8  34 24 o -0.2448000     0.8799000     93.76910      -118.4 
1 1 1 8  34 25 o 3.469000       0.8926000     190.6768      -76.7  
1 1 1 8  34 26 o 0.1773000      0.8847000     84.76698      31.3   
1 1 1 8  34 27 o 4.646000       0.7437000     257.3098      -25.4  
1 1 1 8  34 28 o 0.1648000      0.7151000     101.8477      -103.5 
1 1 1 8  34 29 o 1.659000       0.7722000     200.2829      -177.8 
1 1 1 8  34 30 o 0.1801000      0.7956000     39.12564      173.2  
1 1 1 8  34 31 o 1.585000       0.7964000     81.28209      98.5   
1 1 1 8  34 32 o 1.479000       0.8134000     94.73035      -90.9  
1 1 1 8  34 33 o 3.669000       0.9333000     136.9864      17.4   
1 1 1 8  34 34 o 1.373000       1.254000      69.62988      -36.6  
1 1 1 8  34 35 o 6.956000       1.417000      225.2929      -144.1 
1 1 1 8  34 36 o -1.829000      1.147000      33.50563      -118.6 
1 1 1 8  34 37 o 9.779000       1.002000      390.4211      -132.6 
1 1 1 8  34 38 o 2.709000       0.9747000     140.4228      32.8   
1 1 1 8  34 39 o 8.081000       1.066000      292.0544      -148.2 
1 1 1 8  34 40 o 3.238000       1.068000      259.5961      -50.7  
1 1 1 8  34 41 o 9.021000       1.285000      290.1946      72.4   
1 1 1 8  34 42 o -0.2320000     1.149000      113.3751      -62.2  
1 1 1 8  34 43 o -1.125000      1.404000      79.41527      37.6   
1 1 1 8  34 44 o 0.8156000      2.178000      171.5932      -9.3   
1 1 1 8  34 45 o 2.084000       1.174000      205.5856      12.2   
1 1 1 8  34 46 o 5.422000       1.670000      114.9688      -25.6  
1 1 1 8  34 47 o 10.42000       1.411000      265.9590      -110.0 
1 1 1 8  34 48 o -1.339000      1.235000      ?             ?      
1 1 1 8  34 49 o 4.062000       1.567000      ?             ?      
1 1 1 8  34 50 o 4.773000       1.824000      ?             ?      
1 1 1 8  34 51 o -1.409000      1.375000      ?             ?      
1 1 1 8  34 52 o 0.3249000E-01  1.410000      ?             ?      
1 1 1 8  34 53 o -0.6354000     1.257000      ?             ?      
1 1 1 8  34 54 o -0.9619000     1.150000      ?             ?      
1 1 1 8  34 55 o 0.7817000      1.146000      ?             ?      
1 1 1 8  34 56 o 1.984000       1.154000      ?             ?      
1 1 1 8  34 57 o 1.073000       1.150000      ?             ?      
1 1 1 8  34 58 o -0.7407000     1.153000      ?             ?      
1 1 1 8  34 59 o 1.064000       1.192000      ?             ?      
1 1 1 8  34 60 o 4.521000       1.205000      ?             ?      
1 1 1 8  34 61 o 3.136000       1.227000      ?             ?      
1 1 1 8  34 62 f 0.4552000      1.343000      ?             ?      
1 1 1 8  34 63 o 4.066000       1.576000      ?             ?      
1 1 1 8  34 64 o 4.167000       1.423000      ?             ?      
1 1 1 8  34 65 o 2.880000       1.450000      ?             ?      
1 1 1 8  35 0  o 4.142000       1.203000      40.06984      0.0    
1 1 1 8  35 1  o 7.823000       0.8916000     341.4352      106.0  
1 1 1 8  35 2  o 6.692000       0.8271000     400.8477      75.7   
1 1 1 8  35 3  o 8.638000       0.7997000     332.8382      42.9   
1 1 1 8  35 4  o 2.408000       0.8592000     213.3407      -148.5 
1 1 1 8  35 5  o 0.7716000      0.8788000     187.7129      -23.8  
1 1 1 8  35 6  o 8.426000       0.9417000     367.4848      -77.7  
1 1 1 8  35 7  o 0.8720000      0.7800000     174.5647      51.7   
1 1 1 8  35 8  o -0.4542000     0.7436000     137.9828      -47.2  
1 1 1 8  35 9  o -0.6709000     0.7410000     62.57747      -143.6 
1 1 1 8  35 10 o 1.433000       0.7484000     160.9674      25.4   
1 1 1 8  35 11 o 2.111000       0.8316000     190.4494      87.3   
1 1 1 8  35 12 o 3.003000       0.8378000     282.4462      125.5  
1 1 1 8  35 13 o 15.89000       1.093000      444.4866      -154.5 
1 1 1 8  35 14 o 0.7299000      0.9968000     76.69946      -145.4 
1 1 1 8  35 15 o 8.759000       1.370000      409.0166      -26.4  
1 1 1 8  35 16 o 8.389000       1.062000      240.0824      -115.6 
1 1 1 8  35 17 o 16.88000       1.618000      565.1076      -135.5 
1 1 1 8  35 18 o 3.811000       1.445000      237.2287      107.9  
1 1 1 8  35 19 o 44.70000       1.688000      863.5231      -152.5 
1 1 1 8  35 20 o 10.66000       0.8664000     499.3584      -169.5 
1 1 1 8  35 21 o 0.1579000      1.009000      152.6087      5.7    
1 1 1 8  35 22 o 0.2345000      0.8545000     116.8184      159.8  
1 1 1 8  35 23 o 12.85000       1.027000      400.5028      -49.6  
1 1 1 8  35 24 o 0.2161000      0.9186000     57.11716      8.9    
1 1 1 8  35 25 o 31.08000       1.283000      712.5457      58.8   
1 1 1 8  35 26 o 2.066000       0.8775000     306.9990      81.2   
1 1 1 8  35 27 f 2.854000       0.9463000     319.5331      -169.6 
1 1 1 8  35 28 o 2.497000       0.9445000     180.5378      78.0   
1 1 1 8  35 29 o 3.292000       0.7353000     338.2635      68.4   
1 1 1 8  35 30 o 0.3218000      0.7815000     151.7285      -62.4  
1 1 1 8  35 31 o 1.118000       0.8289000     96.04663      177.5  
1 1 1 8  35 32 o 0.2805000      0.8369000     131.3741      4.7    
1 1 1 8  35 33 o 1.566000       0.9330000     148.3733      24.0   
1 1 1 8  35 34 o 4.490000       0.9645000     298.8587      55.0   
1 1 1 8  35 35 o 6.595000       1.066000      379.9926      -82.7  
1 1 1 8  35 36 o 8.939000       1.296000      403.1427      116.8  
1 1 1 8  35 37 o 8.776000       1.188000      331.3924      3.1    
1 1 1 8  35 38 o 3.157000       1.003000      132.0900      157.7  
1 1 1 8  35 39 o 8.903000       1.273000      424.2240      -178.9 
1 1 1 8  35 40 o 3.757000       1.065000      292.7002      -2.0   
1 1 1 8  35 41 o 8.778000       1.574000      259.8473      157.2  
1 1 1 8  35 42 o -0.1048000     1.209000      91.64751      -33.6  
1 1 1 8  35 43 o 16.94000       1.376000      511.3601      93.8   
1 1 1 8  35 44 o 5.115000       1.305000      378.7358      98.0   
1 1 1 8  35 45 o 1.881000       1.205000      197.0747      -101.1 
1 1 1 8  35 46 o 5.095000       1.242000      181.0856      -15.6  
1 1 1 8  35 47 o -1.029000      1.219000      ?             ?      
1 1 1 8  35 48 o 4.828000       1.271000      ?             ?      
1 1 1 8  35 49 o 4.274000       1.406000      ?             ?      
1 1 1 8  35 50 o 19.20000       1.866000      ?             ?      
1 1 1 8  35 51 o 3.842000       1.357000      ?             ?      
1 1 1 8  35 52 o 1.653000       1.302000      ?             ?      
1 1 1 8  35 53 o 0.9080000      1.560000      ?             ?      
1 1 1 8  35 54 o 5.075000       1.377000      ?             ?      
1 1 1 8  35 55 o 1.520000       1.156000      ?             ?      
1 1 1 8  35 56 o 1.991000       1.144000      ?             ?      
1 1 1 8  35 57 o 3.737000       1.162000      ?             ?      
1 1 1 8  35 58 o 1.539000       1.169000      ?             ?      
1 1 1 8  35 59 o 1.103000       1.169000      ?             ?      
1 1 1 8  35 60 o 0.7900000      1.186000      ?             ?      
1 1 1 8  35 61 o -0.2738000     1.204000      ?             ?      
1 1 1 8  35 62 o 1.444000       1.348000      ?             ?      
1 1 1 8  35 63 o 2.012000       1.388000      ?             ?      
1 1 1 8  35 64 o 2.489000       1.267000      ?             ?      
1 1 1 8  35 65 o -0.1593000     1.282000      ?             ?      
1 1 1 8  36 0  o 19.45000       1.294000      582.8366      -0.0   
1 1 1 8  36 1  o 18.28000       1.018000      586.7125      128.6  
1 1 1 8  36 2  o 10.75000       0.9393000     608.8502      165.1  
1 1 1 8  36 3  o 20.06000       0.9683000     796.7563      -144.3 
1 1 1 8  36 4  o 0.6598000      0.8416000     207.7905      47.5   
1 1 1 8  36 5  o 16.83000       1.130000      494.1371      44.5   
1 1 1 8  36 6  o -0.3986000     0.8818000     72.22807      86.3   
1 1 1 8  36 7  o 2.881000       0.8205000     238.7625      -170.7 
1 1 1 8  36 8  o 35.73000       1.139000      815.9242      152.0  
1 1 1 8  36 9  o 9.773000       0.7943000     536.7466      64.2   
1 1 1 8  36 10 o 12.74000       0.8144000     377.0583      -17.1  
1 1 1 8  36 11 o 15.53000       0.9866000     748.5400      40.7   
1 1 1 8  36 12 o 22.08000       1.153000      616.8307      67.9   
1 1 1 8  36 13 o 15.06000       1.058000      385.2592      106.6  
1 1 1 8  36 14 o 6.549000       1.308000      285.6791      58.0   
1 1 1 8  36 15 o 15.56000       1.466000      372.9847      -8.7   
1 1 1 8  36 16 o 3.981000       1.399000      153.2761      -146.3 
1 1 1 8  36 17 o 0.6693000      1.401000      252.6734      -110.3 
1 1 1 8  36 18 o 5.848000       1.086000      226.8281      14.3   
1 1 1 8  36 19 o 2.677000       1.033000      229.5890      173.8  
1 1 1 8  36 20 o 4.140000       1.089000      160.4497      -49.5  
1 1 1 8  36 21 o 3.421000       1.062000      157.4885      51.7   
1 1 1 8  36 22 o 10.71000       1.134000      562.3215      45.6   
1 1 1 8  36 23 o 2.535000       1.060000      318.9281      161.9  
1 1 1 8  36 24 o 11.98000       0.9468000     543.4562      144.3  
1 1 1 8  36 25 o 6.414000       0.9258000     319.2086      162.8  
1 1 1 8  36 26 o 1.766000       0.8372000     203.8321      -151.7 
1 1 1 8  36 27 o 1.154000       0.8473000     25.82540      142.0  
1 1 1 8  36 28 f 10.74000       1.069000      527.0801      169.1  
1 1 1 8  36 29 o 13.68000       1.046000      549.4395      74.5   
1 1 1 8  36 30 o 1.825000       0.7406000     213.9407      164.8  
1 1 1 8  36 31 o 0.4548000      0.8688000     107.4307      -153.7 
1 1 1 8  36 32 o 4.091000       1.424000      286.2040      136.1  
1 1 1 8  36 33 o 11.95000       1.669000      442.2721      -4.7   
1 1 1 8  36 34 o 4.874000       0.9084000     368.6363      137.6  
1 1 1 8  36 35 o 12.09000       1.063000      464.5298      -149.4 
1 1 1 8  36 36 o -2.917000      1.219000      28.09478      152.9  
1 1 1 8  36 37 o 15.29000       1.633000      525.9196      -123.8 
1 1 1 8  36 38 o -0.6506000     1.182000      107.6586      50.4   
1 1 1 8  36 39 o 7.951000       1.533000      429.6606      177.3  
1 1 1 8  36 40 o 3.280000       1.183000      239.5586      -39.3  
1 1 1 8  36 41 o 2.148000       1.178000      127.8634      -177.3 
1 1 1 8  36 42 o 14.36000       1.219000      714.3539      -151.1 
1 1 1 8  36 43 o 5.234000       1.158000      285.7251      84.4   
1 1 1 8  36 44 o 13.08000       1.213000      366.5104      -22.5  
1 1 1 8  36 45 o 0.3728000      1.131000      114.9415      -131.0 
1 1 1 8  36 46 o 8.033000       1.171000      ?             ?      
1 1 1 8  36 47 o 3.480000       1.161000      ?             ?      
1 1 1 8  36 48 o 3.315000       1.300000      ?             ?      
1 1 1 8  36 49 o 3.792000       1.243000      ?             ?      
1 1 1 8  36 50 o 1.721000       1.325000      ?             ?      
1 1 1 8  36 51 o 0.1500000      1.345000      ?             ?      
1 1 1 8  36 52 o 1.843000       1.318000      ?             ?      
1 1 1 8  36 53 o -0.7917000     1.354000      ?             ?      
1 1 1 8  36 54 o 2.758000       1.667000      ?             ?      
1 1 1 8  36 55 o -1.141000      1.274000      ?             ?      
1 1 1 8  36 56 o 0.7556000E-01  1.197000      ?             ?      
1 1 1 8  36 57 o 0.5909000      1.223000      ?             ?      
1 1 1 8  36 58 o 0.5343000      1.219000      ?             ?      
1 1 1 8  36 59 o 0.9361000      1.179000      ?             ?      
1 1 1 8  36 60 o 0.4810000      1.186000      ?             ?      
1 1 1 8  36 61 o 3.333000       1.318000      ?             ?      
1 1 1 8  36 62 o 4.559000       1.497000      ?             ?      
1 1 1 8  36 63 o -0.1013000     1.313000      ?             ?      
1 1 1 8  36 64 o 1.917000       1.256000      ?             ?      
1 1 1 8  37 0  o -0.7253000     1.065000      116.6295      -0.0   
1 1 1 8  37 1  o 16.31000       0.9371000     734.7103      25.9   
1 1 1 8  37 2  o 9.483000       0.9118000     402.0639      -112.9 
1 1 1 8  37 3  o 5.917000       0.8171000     328.6570      -58.8  
1 1 1 8  37 4  o 8.423000       0.7908000     469.6634      -43.4  
1 1 1 8  37 5  o 2.548000       0.8244000     276.1921      77.8   
1 1 1 8  37 6  o 3.524000       0.8978000     218.9404      -45.1  
1 1 1 8  37 7  o 8.196000       0.9184000     296.0137      126.1  
1 1 1 8  37 8  o 9.529000       0.8044000     460.9949      56.6   
1 1 1 8  37 9  o 14.54000       0.8349000     695.7190      -175.5 
1 1 1 8  37 10 o 6.025000       0.9013000     390.9152      122.8  
1 1 1 8  37 11 o 3.828000       0.8399000     208.7737      -131.0 
1 1 1 8  37 12 o 21.54000       1.149000      708.0829      179.0  
1 1 1 8  37 13 o 16.21000       1.415000      463.2372      152.6  
1 1 1 8  37 14 o -0.8305000E-01 1.275000      152.6910      23.9   
1 1 1 8  37 15 o 7.552000       1.021000      343.1169      -40.2  
1 1 1 8  37 16 o -0.5489000     1.443000      243.4911      179.7  
1 1 1 8  37 17 o 13.38000       1.552000      270.0765      -61.4  
1 1 1 8  37 18 o 2.584000       1.066000      433.2086      76.8   
1 1 1 8  37 19 o 13.39000       1.186000      425.3030      74.5   
1 1 1 8  37 20 o 17.32000       1.289000      410.5910      -83.0  
1 1 1 8  37 21 o 0.5132000      1.056000      177.1112      83.6   
1 1 1 8  37 22 o 17.22000       1.239000      617.1445      -109.2 
1 1 1 8  37 23 o 8.509000       1.148000      711.2159      -61.4  
1 1 1 8  37 24 o 10.25000       1.150000      557.9824      96.6   
1 1 1 8  37 25 o 7.270000       0.9076000     412.4137      -43.5  
1 1 1 8  37 26 f 11.25000       0.9241000     422.8659      -101.0 
1 1 1 8  37 27 o 0.8348000      0.8522000     254.4614      167.2  
1 1 1 8  37 28 o 1.392000       0.8592000     301.1817      -170.6 
1 1 1 8  37 29 o 1.853000       0.8751000     174.8347      -5.1   
1 1 1 8  37 30 o 3.226000       1.149000      227.0164      -115.5 
1 1 1 8  37 31 o 0.3988000      0.8072000     213.0776      34.1   
1 1 1 8  37 32 o 1.359000       0.9735000     107.1164      -116.4 
1 1 1 8  37 33 o 11.83000       0.9765000     535.3015      -41.8  
1 1 1 8  37 34 o -1.257000      0.9985000     30.38342      -8.1   
1 1 1 8  37 35 o 17.29000       1.138000      667.7068      -108.8 
1 1 1 8  37 36 o 9.786000       1.128000      505.7058      -31.8  
1 1 1 8  37 37 o 11.61000       1.499000      352.2924      -175.6 
1 1 1 8  37 38 o 26.61000       1.919000      610.2037      -164.9 
1 1 1 8  37 39 o 2.785000       1.607000      220.4950      -53.3  
1 1 1 8  37 40 o 0.5929000      1.039000      53.58354      -115.2 
1 1 1 8  37 41 f 5.499000       1.103000      224.7697      -59.4  
1 1 1 8  37 42 o 1.247000       1.106000      54.49296      -113.8 
1 1 1 8  37 43 o 0.5946000      1.112000      160.3675      95.4   
1 1 1 8  37 44 o 2.816000       1.115000      175.6402      146.9  
1 1 1 8  37 45 o 2.456000       1.104000      ?             ?      
1 1 1 8  37 46 o 2.139000       1.101000      ?             ?      
1 1 1 8  37 47 o 3.999000       1.205000      ?             ?      
1 1 1 8  37 48 o 0.9754000      1.207000      ?             ?      
1 1 1 8  37 49 o 1.608000       1.149000      ?             ?      
1 1 1 8  37 50 o 5.364000       1.134000      ?             ?      
1 1 1 8  37 51 o 6.178000       1.268000      ?             ?      
1 1 1 8  37 52 o 0.5024000      1.443000      ?             ?      
1 1 1 8  37 53 o 2.297000       1.363000      ?             ?      
1 1 1 8  37 54 o 3.064000       1.278000      ?             ?      
1 1 1 8  37 55 o 2.090000       1.506000      ?             ?      
1 1 1 8  37 56 o 0.8285000      1.247000      ?             ?      
1 1 1 8  37 57 o 3.347000       1.282000      ?             ?      
1 1 1 8  37 58 o 1.599000       1.164000      ?             ?      
1 1 1 8  37 59 o 3.582000       1.258000      ?             ?      
1 1 1 8  37 60 o 2.014000       1.312000      ?             ?      
1 1 1 8  37 61 o -0.2857000E-01 1.333000      ?             ?      
1 1 1 8  37 62 o 0.9738000      1.372000      ?             ?      
1 1 1 8  37 63 o 2.054000       1.257000      ?             ?      
1 1 1 8  38 0  o 1.597000       1.015000      169.2131      0.0    
1 1 1 8  38 1  o 21.92000       0.9815000     673.6715      158.6  
1 1 1 8  38 2  o 6.358000       0.8712000     288.8970      35.2   
1 1 1 8  38 3  f 4.716000       0.8023000     290.7617      -134.5 
1 1 1 8  38 4  o 6.530000       0.7731000     311.0761      153.2  
1 1 1 8  38 5  o 22.72000       1.030000      670.0044      -40.6  
1 1 1 8  38 6  o -1.230000      0.8820000     184.1325      -139.7 
1 1 1 8  38 7  o 7.944000       0.9235000     525.9538      143.6  
1 1 1 8  38 8  o 2.175000       0.8057000     224.0146      -132.5 
1 1 1 8  38 9  o 19.02000       0.8737000     594.0819      61.7   
1 1 1 8  38 10 o 26.43000       0.9851000     586.3037      -21.1  
1 1 1 8  38 11 o 15.11000       0.9161000     646.3218      -155.7 
1 1 1 8  38 12 o 37.28000       1.439000      771.3017      -116.6 
1 1 1 8  38 13 o 4.323000       1.283000      141.5482      -104.5 
1 1 1 8  38 14 o 0.9773000      1.327000      85.22142      -67.6  
1 1 1 8  38 15 o 15.32000       1.560000      521.3126      -81.1  
1 1 1 8  38 16 o 19.88000       1.662000      678.1405      131.0  
1 1 1 8  38 17 o 3.680000       1.072000      140.9638      166.6  
1 1 1 8  38 18 o 6.363000       1.105000      353.6462      -176.5 
1 1 1 8  38 19 o 17.11000       1.316000      531.3997      147.9  
1 1 1 8  38 20 o 4.676000       1.111000      251.5784      62.4   
1 1 1 8  38 21 o 0.1702000      1.072000      117.2393      125.9  
1 1 1 8  38 22 o 5.086000       1.107000      207.3905      106.7  
1 1 1 8  38 23 o 0.7622000      1.093000      219.2174      116.1  
1 1 1 8  38 24 o 9.152000       1.187000      300.4515      108.4  
1 1 1 8  38 25 o 15.61000       1.289000      617.2209      110.5  
1 1 1 8  38 26 o 2.145000       0.9632000     141.5703      36.2   
1 1 1 8  38 27 o 11.42000       1.002000      572.3600      -57.6  
1 1 1 8  38 28 o 4.838000       0.9124000     244.7985      125.8  
1 1 1 8  38 29 o 7.827000       0.9347000     308.3555      78.2   
1 1 1 8  38 30 o 31.26000       1.543000      771.7236      173.9  
1 1 1 8  38 31 o 18.27000       1.926000      602.6170      41.2   
1 1 1 8  38 32 o 6.114000       1.868000      188.2454      47.5   
1 1 1 8  38 33 o 22.26000       1.317000      711.4457      -31.9  
1 1 1 8  38 34 o 10.40000       1.210000      496.7368      4.1    
1 1 1 8  38 35 o 0.2857000E-01  0.9064000     179.4378      -54.8  
1 1 1 8  38 36 o 10.32000       1.043000      423.1758      -5.9   
1 1 1 8  38 37 o 0.8168000      1.060000      201.3322      57.3   
1 1 1 8  38 38 o 5.856000       1.169000      323.0412      -166.1 
1 1 1 8  38 39 o 0.8532000      1.314000      136.7315      139.5  
1 1 1 8  38 40 f 5.146000       1.215000      379.2737      5.5    
1 1 1 8  38 41 o -0.3799000     1.044000      102.5981      131.6  
1 1 1 8  38 42 o 18.63000       1.225000      602.2543      128.6  
1 1 1 8  38 43 o 3.392000       1.095000      ?             ?      
1 1 1 8  38 44 o 1.706000       1.090000      ?             ?      
1 1 1 8  38 45 o 10.52000       1.138000      ?             ?      
1 1 1 8  38 46 o 7.177000       1.147000      ?             ?      
1 1 1 8  38 47 o 1.931000       1.256000      ?             ?      
1 1 1 8  38 48 o 6.089000       1.219000      ?             ?      
1 1 1 8  38 49 o 1.927000       1.087000      ?             ?      
1 1 1 8  38 50 o 1.372000       1.092000      ?             ?      
1 1 1 8  38 51 o -0.1230000     1.110000      ?             ?      
1 1 1 8  38 52 o 3.019000       1.346000      ?             ?      
1 1 1 8  38 53 o 0.3351000      1.206000      ?             ?      
1 1 1 8  38 54 o 0.7964000      1.258000      ?             ?      
1 1 1 8  38 55 o -1.555000      1.542000      ?             ?      
1 1 1 8  38 56 o -1.463000      1.355000      ?             ?      
1 1 1 8  38 57 o 2.734000       1.249000      ?             ?      
1 1 1 8  38 58 o 0.8442000      1.172000      ?             ?      
1 1 1 8  38 59 o 2.759000       1.304000      ?             ?      
1 1 1 8  38 60 o 7.020000       1.432000      ?             ?      
1 1 1 8  38 61 o 6.557000       1.575000      ?             ?      
1 1 1 8  38 62 o 0.5704000      1.287000      ?             ?      
1 1 1 8  39 0  o 10.05000       1.095000      561.0168      -0.0   
1 1 1 8  39 1  o 4.662000       0.7508000     247.0996      22.7   
1 1 1 8  39 2  o 5.679000       0.8652000     293.5347      -42.7  
1 1 1 8  39 3  o 17.92000       0.9420000     574.7601      13.9   
1 1 1 8  39 4  o -0.9352000E-01 0.7536000     186.3363      -21.4  
1 1 1 8  39 5  o 16.81000       0.8627000     491.0044      -55.7  
1 1 1 8  39 6  o 15.28000       1.079000      496.2460      9.7    
1 1 1 8  39 7  o 26.69000       1.164000      692.9720      110.4  
1 1 1 8  39 8  o 8.773000       0.8409000     208.2286      -170.2 
1 1 1 8  39 9  o 0.8231000      0.7146000     187.8796      -170.6 
1 1 1 8  39 10 o 4.460000       0.7263000     320.9006      -66.1  
1 1 1 8  39 11 o 0.1321000      0.7892000     11.54300      157.8  
1 1 1 8  39 12 o 1.938000       0.9990000     29.74116      -177.7 
1 1 1 8  39 13 o 20.26000       1.546000      530.8387      -7.9   
1 1 1 8  39 14 o 0.5207000      1.046000      177.6201      -3.5   
1 1 1 8  39 15 o 3.047000       1.444000      161.1174      55.2   
1 1 1 8  39 16 o -0.9707000     1.453000      191.4333      -98.1  
1 1 1 8  39 17 o 29.86000       1.432000      839.4506      -149.3 
1 1 1 8  39 18 o 9.000000       1.145000      377.1113      -0.2   
1 1 1 8  39 19 o 3.493000       1.111000      191.5869      -45.2  
1 1 1 8  39 20 o 14.80000       1.212000      735.4097      -98.8  
1 1 1 8  39 21 o 0.8266000E-02  1.096000      34.92928      -95.6  
1 1 1 8  39 22 o 25.55000       1.408000      759.4940      -126.2 
1 1 1 8  39 23 o 4.802000       1.139000      202.3233      3.0    
1 1 1 8  39 24 o 0.6847000      1.130000      170.1759      -136.4 
1 1 1 8  39 25 o 1.237000       1.175000      102.0323      -134.3 
1 1 1 8  39 26 o 18.90000       1.385000      743.2811      86.6   
1 1 1 8  39 27 o 0.8325000      0.9921000     271.0424      -51.9  
1 1 1 8  39 28 o 19.12000       1.167000      561.5829      -99.3  
1 1 1 8  39 29 o 6.508000       0.9485000     380.8821      -156.8 
1 1 1 8  39 30 o 4.824000       1.065000      235.4587      120.6  
1 1 1 8  39 31 o 4.018000       1.455000      470.6318      51.0   
1 1 1 8  39 32 o 2.344000       1.937000      79.13237      -49.5  
1 1 1 8  39 33 o 5.459000       0.8297000     366.9915      34.6   
1 1 1 8  39 34 o 3.033000       0.8922000     196.0152      -155.7 
1 1 1 8  39 35 o -1.605000      0.8544000     122.1591      150.1  
1 1 1 8  39 36 o 8.032000       0.9761000     428.7844      176.3  
1 1 1 8  39 37 o 0.5636000      0.8668000     119.5555      68.8   
1 1 1 8  39 38 o 6.716000       0.9902000     522.4243      -179.5 
1 1 1 8  39 39 o 3.169000       1.157000      245.9819      14.0   
1 1 1 8  39 40 o 3.372000       1.321000      389.3648      144.7  
1 1 1 8  39 41 o 5.773000       1.222000      418.1426      -112.1 
1 1 1 8  39 42 o 9.434000       1.117000      ?             ?      
1 1 1 8  39 43 o 17.01000       1.327000      ?             ?      
1 1 1 8  39 44 o 1.540000       1.075000      ?             ?      
1 1 1 8  39 45 o 4.551000       1.125000      ?             ?      
1 1 1 8  39 46 o 5.082000       1.205000      ?             ?      
1 1 1 8  39 47 o 2.062000       1.177000      ?             ?      
1 1 1 8  39 48 o 19.49000       1.260000      ?             ?      
1 1 1 8  39 49 o 1.607000       1.077000      ?             ?      
1 1 1 8  39 50 o 5.613000       1.110000      ?             ?      
1 1 1 8  39 51 o 5.506000       1.114000      ?             ?      
1 1 1 8  39 52 o 2.500000       1.229000      ?             ?      
1 1 1 8  39 53 o 2.136000       1.325000      ?             ?      
1 1 1 8  39 54 o 1.044000       1.204000      ?             ?      
1 1 1 8  39 55 o -1.417000      1.255000      ?             ?      
1 1 1 8  39 57 o 3.957000       1.328000      ?             ?      
1 1 1 8  39 58 o 5.711000       1.203000      ?             ?      
1 1 1 8  39 59 o 5.573000       1.352000      ?             ?      
1 1 1 8  39 60 o 0.4456000      1.425000      ?             ?      
1 1 1 8  39 61 o 2.909000       1.357000      ?             ?      
1 1 1 8  39 62 o 3.771000       1.703000      ?             ?      
1 1 1 8  40 0  o 5.063000       1.066000      285.5714      -180.0 
1 1 1 8  40 1  o 7.838000       0.8333000     497.3510      108.0  
1 1 1 8  40 2  o 6.490000       0.8507000     302.2002      81.5   
1 1 1 8  40 3  f 0.5094000      0.8556000     66.39764      -115.3 
1 1 1 8  40 4  o 15.75000       0.9333000     406.8791      84.9   
1 1 1 8  40 5  o 18.82000       0.9048000     684.3660      -39.0  
1 1 1 8  40 6  o -0.4569000     0.8712000     109.4695      -10.7  
1 1 1 8  40 7  f 8.376000       0.9392000     441.4192      63.7   
1 1 1 8  40 8  o 3.224000       0.8054000     132.3549      -176.6 
1 1 1 8  40 9  o 12.20000       0.7876000     382.4279      132.3  
1 1 1 8  40 10 o 7.286000       0.7534000     459.7274      175.3  
1 1 1 8  40 11 o 5.005000       0.8304000     331.4761      66.5   
1 1 1 8  40 12 o 2.433000       0.9481000     183.8065      55.5   
1 1 1 8  40 13 o 20.71000       1.643000      529.3455      177.3  
1 1 1 8  40 14 o 11.15000       1.149000      640.9611      -44.7  
1 1 1 8  40 15 o 22.75000       1.725000      626.3691      -140.9 
1 1 1 8  40 16 o 1.125000       1.088000      251.0453      -92.7  
1 1 1 8  40 17 o 4.166000       1.107000      451.5948      -44.5  
1 1 1 8  40 18 o 13.87000       1.205000      460.4174      -177.3 
1 1 1 8  40 19 o 14.26000       1.208000      632.6011      55.7   
1 1 1 8  40 20 o 25.87000       1.403000      718.4283      -104.6 
1 1 1 8  40 21 o 3.146000       1.147000      148.3476      148.4  
1 1 1 8  40 22 o 26.31000       1.433000      806.9065      90.5   
1 1 1 8  40 23 o 10.16000       1.104000      524.0646      -54.2  
1 1 1 8  40 24 o 19.96000       1.355000      632.7289      131.3  
1 1 1 8  40 25 o 11.84000       1.275000      497.8394      64.7   
1 1 1 8  40 26 o 22.71000       1.459000      725.0805      -35.5  
1 1 1 8  40 27 o 3.404000       1.272000      267.5665      -43.4  
1 1 1 8  40 28 o -0.4553000     1.025000      119.2703      86.2   
1 1 1 8  40 29 o 3.567000       1.581000      298.0670      108.3  
1 1 1 8  40 30 o -0.9385000     2.100000      122.6842      145.4  
1 1 1 8  40 31 o 18.94000       2.142000      562.4157      -2.2   
1 1 1 8  40 32 o 2.959000       1.997000      223.1029      76.5   
1 1 1 8  40 33 o -2.197000      1.411000      54.68137      -19.1  
1 1 1 8  40 34 o 5.225000       1.569000      341.4146      -134.0 
1 1 1 8  40 35 o -0.3783000     0.8290000     61.58871      -19.5  
1 1 1 8  40 36 o 3.150000       0.8660000     262.6599      -152.6 
1 1 1 8  40 37 o 5.221000       0.8540000     408.7311      -129.8 
1 1 1 8  40 38 o 10.80000       0.9193000     573.8124      118.2  
1 1 1 8  40 39 o 5.448000       0.9012000     375.0935      -153.5 
1 1 1 8  40 40 o 5.781000       1.164000      285.4734      111.0  
1 1 1 8  40 41 o 2.459000       1.412000      ?             ?      
1 1 1 8  40 42 o 0.5218000      1.189000      ?             ?      
1 1 1 8  40 43 o 6.020000       1.061000      ?             ?      
1 1 1 8  40 44 o 5.940000       1.061000      ?             ?      
1 1 1 8  40 45 o 2.328000       1.120000      ?             ?      
1 1 1 8  40 46 o 2.651000       1.221000      ?             ?      
1 1 1 8  40 47 o 8.101000       1.195000      ?             ?      
1 1 1 8  40 48 o -0.5646000     1.057000      ?             ?      
1 1 1 8  40 49 o -0.3667000     1.045000      ?             ?      
1 1 1 8  40 50 o 6.715000       1.101000      ?             ?      
1 1 1 8  40 51 o 1.916000       1.065000      ?             ?      
1 1 1 8  40 52 o 0.4529000      1.055000      ?             ?      
1 1 1 8  40 53 o 1.412000       1.213000      ?             ?      
1 1 1 8  40 54 o 2.521000       1.339000      ?             ?      
1 1 1 8  40 55 o 2.281000       1.239000      ?             ?      
1 1 1 8  40 56 o 1.796000       1.289000      ?             ?      
1 1 1 8  40 57 o 0.6042000      1.419000      ?             ?      
1 1 1 8  40 58 o 2.157000       1.308000      ?             ?      
1 1 1 8  40 59 o -0.3675000     1.274000      ?             ?      
1 1 1 8  40 60 o 0.3291000      1.411000      ?             ?      
1 1 1 8  40 61 o 1.709000       1.254000      ?             ?      
1 1 1 8  41 0  o 29.22000       1.481000      456.4348      -0.0   
1 1 1 8  41 1  o 3.711000       0.7620000     265.7650      41.1   
1 1 1 8  41 2  o 13.25000       0.9251000     478.3642      147.9  
1 1 1 8  41 3  o 30.34000       1.228000      647.8717      -79.8  
1 1 1 8  41 4  o 9.320000       0.8864000     393.2559      70.1   
1 1 1 8  41 5  o 46.96000       1.444000      1035.410      7.5    
1 1 1 8  41 6  o 42.70000       1.585000      812.6064      71.3   
1 1 1 8  41 7  o 34.71000       1.512000      931.7184      -136.9 
1 1 1 8  41 8  o 14.01000       0.9952000     517.9722      -155.3 
1 1 1 8  41 9  o 5.537000       0.7701000     245.0182      -28.7  
1 1 1 8  41 10 o 24.71000       1.027000      902.4287      148.4  
1 1 1 8  41 11 o 9.207000       0.9679000     471.0537      -73.8  
1 1 1 8  41 12 o 4.030000       0.8962000     136.3403      104.4  
1 1 1 8  41 13 o 16.59000       1.205000      603.6879      93.0   
1 1 1 8  41 14 o 8.395000       1.778000      361.8424      -32.2  
1 1 1 8  41 15 o 5.608000       1.600000      317.3296      90.9   
1 1 1 8  41 16 o 11.01000       1.168000      474.4002      27.6   
1 1 1 8  41 17 o 14.65000       1.230000      580.4254      -122.0 
1 1 1 8  41 18 o 7.652000       1.156000      544.4162      8.9    
1 1 1 8  41 19 o 3.700000       1.113000      280.2283      -131.1 
1 1 1 8  41 20 o 2.738000       1.131000      345.4150      -90.2  
1 1 1 8  41 21 o -0.1624000     1.135000      41.05898      14.4   
1 1 1 8  41 22 o 5.803000       1.166000      232.3387      166.0  
1 1 1 8  41 23 o 5.874000       1.204000      365.4789      -54.7  
1 1 1 8  41 24 o 16.22000       1.354000      565.2361      78.8   
1 1 1 8  41 25 o 0.1106000      1.238000      226.4940      128.4  
1 1 1 8  41 26 o 6.715000       1.386000      366.4256      48.7   
1 1 1 8  41 27 f 0.4969000      1.637000      266.0516      143.5  
1 1 1 8  41 28 o 20.78000       1.547000      630.6683      -8.9   
1 1 1 8  41 29 o 14.94000       1.949000      492.6727      173.1  
1 1 1 8  41 30 o 18.54000       1.350000      734.7246      85.5   
1 1 1 8  41 31 o 11.61000       1.318000      544.9911      73.5   
1 1 1 8  41 32 o 3.708000       1.058000      241.1082      -56.4  
1 1 1 8  41 33 o 0.2358000      0.9633000     180.1598      50.9   
1 1 1 8  41 34 o 2.397000       1.492000      217.3613      -116.6 
1 1 1 8  41 35 o 4.417000       1.566000      324.0905      -116.3 
1 1 1 8  41 36 o 3.158000       0.8463000     313.5606      101.5  
1 1 1 8  41 37 o 2.444000       0.8571000     184.9435      -121.6 
1 1 1 8  41 38 o 4.321000       0.9005000     289.3437      -135.5 
1 1 1 8  41 39 o 2.727000       0.8518000     365.0349      -175.1 
1 1 1 8  41 40 o 0.4175000      0.8556000     ?             ?      
1 1 1 8  41 41 o 11.12000       1.303000      ?             ?      
1 1 1 8  41 42 o 9.173000       1.748000      ?             ?      
1 1 1 8  41 43 o 24.24000       1.962000      ?             ?      
1 1 1 8  41 44 o 0.2677000      1.009000      ?             ?      
1 1 1 8  41 45 o 17.73000       1.455000      ?             ?      
1 1 1 8  41 46 o 7.000000       1.297000      ?             ?      
1 1 1 8  41 47 o 2.649000       1.044000      ?             ?      
1 1 1 8  41 48 o -0.7635000     1.032000      ?             ?      
1 1 1 8  41 49 o 5.955000       1.072000      ?             ?      
1 1 1 8  41 50 o -0.6929000E-01 1.051000      ?             ?      
1 1 1 8  41 51 o 0.2713000E-01  1.056000      ?             ?      
1 1 1 8  41 52 o 1.564000       1.052000      ?             ?      
1 1 1 8  41 53 o 1.381000       1.060000      ?             ?      
1 1 1 8  41 54 f 6.082000       1.379000      ?             ?      
1 1 1 8  41 55 o 6.325000       1.422000      ?             ?      
1 1 1 8  41 56 o 5.038000       1.284000      ?             ?      
1 1 1 8  41 57 o 1.693000       1.288000      ?             ?      
1 1 1 8  41 58 o -1.452000      2.199000      ?             ?      
1 1 1 8  41 59 o 1.493000       1.562000      ?             ?      
1 1 1 8  41 60 o 3.246000       1.308000      ?             ?      
1 1 1 8  42 0  o 27.52000       1.460000      796.6481      -180.0 
1 1 1 8  42 1  o 7.784000       0.8029000     311.8103      112.7  
1 1 1 8  42 2  o -0.2658000E-01 0.7755000     188.5733      -178.3 
1 1 1 8  42 3  o -0.1620000     0.9004000     122.1273      50.5   
1 1 1 8  42 4  o 53.76000       1.557000      1003.780      40.3   
1 1 1 8  42 5  o 1.696000       0.7834000     308.1125      -138.3 
1 1 1 8  42 6  o 6.786000       0.8587000     415.7511      37.1   
1 1 1 8  42 7  o 0.8324000      0.8243000     152.9819      132.6  
1 1 1 8  42 8  o 0.1491000      0.9092000     273.4557      -88.1  
1 1 1 8  42 9  o 14.51000       0.8949000     607.0425      -172.6 
1 1 1 8  42 10 o 13.90000       0.9293000     664.2911      78.3   
1 1 1 8  42 11 o 42.30000       1.771000      996.6548      175.3  
1 1 1 8  42 12 o 3.034000       0.8787000     152.3805      -39.9  
1 1 1 8  42 13 o 13.08000       1.167000      451.7174      -92.0  
1 1 1 8  42 14 o 17.65000       1.897000      623.4998      -98.5  
1 1 1 8  42 15 o 1.982000       1.158000      170.1315      170.8  
1 1 1 8  42 16 o 3.255000       1.149000      406.0306      33.9   
1 1 1 8  42 17 o 9.712000       1.194000      491.3009      108.6  
1 1 1 8  42 18 o 6.273000       1.181000      437.6475      -81.1  
1 1 1 8  42 19 o 10.43000       1.220000      489.2877      160.6  
1 1 1 8  42 20 o 0.7587000      1.159000      156.0345      139.7  
1 1 1 8  42 21 o 5.366000       1.198000      348.3639      49.0   
1 1 1 8  42 22 o -0.8393000     1.197000      134.9986      -111.8 
1 1 1 8  42 23 o 0.1567000      1.187000      154.0542      159.4  
1 1 1 8  42 24 o -3.171000      1.534000      52.09838      -37.0  
1 1 1 8  42 25 o 4.306000       1.356000      502.1552      -18.1  
1 1 1 8  42 26 o 0.3811000      1.267000      229.3521      -177.0 
1 1 1 8  42 27 o 19.14000       1.509000      634.4262      119.8  
1 1 1 8  42 28 o 14.88000       1.983000      515.4821      -96.8  
1 1 1 8  42 29 o 45.88000       2.787000      955.1925      137.3  
1 1 1 8  42 30 o 1.988000       2.118000      116.6996      147.3  
1 1 1 8  42 31 o -0.5065000     1.218000      237.0107      149.3  
1 1 1 8  42 32 o 0.1189000      1.082000      56.47541      69.1   
1 1 1 8  42 33 o -0.2307000     1.068000      14.97268      -89.7  
1 1 1 8  42 34 o -0.8420000     1.061000      94.37059      -57.6  
1 1 1 8  42 35 o 16.17000       1.731000      470.7523      -98.4  
1 1 1 8  42 36 o -0.9752000     1.576000      165.6942      -153.2 
1 1 1 8  42 37 o 4.011000       0.8349000     496.4196      172.0  
1 1 1 8  42 38 o 9.367000       1.027000      ?             ?      
1 1 1 8  42 39 o 0.6197000      0.7897000     ?             ?      
1 1 1 8  42 40 o 1.215000       0.8183000     ?             ?      
1 1 1 8  42 41 o 5.485000       0.8694000     ?             ?      
1 1 1 8  42 42 o 2.653000       0.9928000     ?             ?      
1 1 1 8  42 43 o -1.251000      1.235000      ?             ?      
1 1 1 8  42 44 o 4.361000       1.214000      ?             ?      
1 1 1 8  42 45 o 1.377000       1.103000      ?             ?      
1 1 1 8  42 46 o 0.7587000      1.003000      ?             ?      
1 1 1 8  42 47 o -0.1864000E-01 0.9958000     ?             ?      
1 1 1 8  42 48 o 4.675000       1.035000      ?             ?      
1 1 1 8  42 49 o 0.9338000      1.031000      ?             ?      
1 1 1 8  42 50 o 4.585000       1.055000      ?             ?      
1 1 1 8  42 51 o 0.2406000      1.037000      ?             ?      
1 1 1 8  42 52 o 4.240000       1.090000      ?             ?      
1 1 1 8  42 53 o 6.484000       1.134000      ?             ?      
1 1 1 8  42 54 o 2.098000       1.115000      ?             ?      
1 1 1 8  42 55 o 5.980000       1.382000      ?             ?      
1 1 1 8  42 56 o 0.6699000      1.250000      ?             ?      
1 1 1 8  42 57 o 1.664000       1.142000      ?             ?      
1 1 1 8  42 58 o -1.123000      1.641000      ?             ?      
1 1 1 8  42 59 o -1.777000      2.223000      ?             ?      
1 1 1 8  43 0  o 17.28000       1.286000      699.5850      180.0  
1 1 1 8  43 1  o 4.854000       0.7997000     406.0101      -173.8 
1 1 1 8  43 2  o 6.894000       0.8193000     272.4861      102.4  
1 1 1 8  43 3  o 0.3793000      0.8558000     154.5012      -56.1  
1 1 1 8  43 4  o 11.52000       1.002000      509.8408      127.3  
1 1 1 8  43 5  o 3.529000       0.7878000     308.3925      -72.6  
1 1 1 8  43 6  o 14.70000       0.9425000     556.5093      -33.6  
1 1 1 8  43 7  o 3.379000       0.8606000     455.4829      -78.1  
1 1 1 8  43 8  o 5.262000       0.9417000     464.7537      153.6  
1 1 1 8  43 9  o 5.444000       0.8293000     483.8759      -136.3 
1 1 1 8  43 10 o 19.35000       1.067000      486.5280      -142.1 
1 1 1 8  43 11 o 4.263000       1.017000      253.3745      -95.2  
1 1 1 8  43 12 o 5.028000       1.086000      291.0458      -31.5  
1 1 1 8  43 13 o 5.313000       1.542000      272.3055      -9.3   
1 1 1 8  43 14 o 1.615000       1.559000      254.9201      -99.1  
1 1 1 8  43 15 o 1.346000       1.164000      154.8423      -113.3 
1 1 1 8  43 16 o 3.677000       1.196000      253.7257      115.3  
1 1 1 8  43 17 o 6.342000       1.230000      434.9056      147.0  
1 1 1 8  43 18 o 12.24000       1.292000      412.3036      -129.6 
1 1 1 8  43 19 o 8.387000       1.254000      388.4734      157.8  
1 1 1 8  43 20 o 8.734000       1.268000      383.9615      23.8   
1 1 1 8  43 21 o 15.75000       1.654000      533.1096      -0.1   
1 1 1 8  43 22 o 1.956000       1.540000      184.7619      -37.8  
1 1 1 8  43 23 o 31.95000       1.624000      754.5674      18.2   
1 1 1 8  43 24 o 3.824000       1.259000      318.3462      99.2   
1 1 1 8  43 25 o 12.65000       1.398000      469.0138      -71.3  
1 1 1 8  43 26 o 29.05000       1.676000      719.8692      166.9  
1 1 1 8  43 27 o 13.73000       1.528000      441.6452      27.8   
1 1 1 8  43 28 o 3.670000       1.876000      215.1528      -92.2  
1 1 1 8  43 29 o 8.394000       1.572000      401.0336      -144.8 
1 1 1 8  43 30 o 2.434000       2.149000      196.5872      1.9    
1 1 1 8  43 31 o 2.177000       1.513000      239.8652      65.7   
1 1 1 8  43 32 f 0.3739000E-01  1.076000      143.4446      111.9  
1 1 1 8  43 33 o 5.375000       1.131000      400.0556      129.8  
1 1 1 8  43 34 o 27.76000       1.999000      782.5461      -13.9  
1 1 1 8  43 35 o 5.494000       1.109000      306.2232      142.0  
1 1 1 8  43 36 o 1.003000       1.050000      270.1903      2.7    
1 1 1 8  43 37 o 20.87000       1.880000      ?             ?      
1 1 1 8  43 38 o -2.559000      1.588000      ?             ?      
1 1 1 8  43 39 o 0.1511000      0.7742000     ?             ?      
1 1 1 8  43 40 o 1.547000       0.7611000     ?             ?      
1 1 1 8  43 41 o 7.054000       0.8891000     ?             ?      
1 1 1 8  43 42 o 0.7358000E-01  0.8128000     ?             ?      
1 1 1 8  43 43 o 12.29000       1.604000      ?             ?      
1 1 1 8  43 44 o 2.570000       1.578000      ?             ?      
1 1 1 8  43 45 o -0.4074000     1.179000      ?             ?      
1 1 1 8  43 46 o 4.996000       0.9655000     ?             ?      
1 1 1 8  43 47 o 1.508000       0.9658000     ?             ?      
1 1 1 8  43 48 o 0.4089000      0.9888000     ?             ?      
1 1 1 8  43 49 o 1.304000       1.007000      ?             ?      
1 1 1 8  43 50 o -1.144000      1.010000      ?             ?      
1 1 1 8  43 51 o 1.634000       1.046000      ?             ?      
1 1 1 8  43 52 o 4.441000       1.092000      ?             ?      
1 1 1 8  43 53 o -0.6664000     1.065000      ?             ?      
1 1 1 8  43 54 o -0.9736000     1.085000      ?             ?      
1 1 1 8  43 55 o 2.466000       1.251000      ?             ?      
1 1 1 8  43 56 o 2.218000       1.372000      ?             ?      
1 1 1 8  43 57 o 3.095000       1.440000      ?             ?      
1 1 1 8  43 58 o 0.3429000      1.700000      ?             ?      
1 1 1 8  44 0  o 21.44000       1.367000      640.1340      180.0  
1 1 1 8  44 1  o 6.664000       0.8218000     285.3916      -76.7  
1 1 1 8  44 2  o 3.428000       0.8106000     263.3571      -133.7 
1 1 1 8  44 3  o 3.674000       0.8813000     164.6088      168.2  
1 1 1 8  44 4  o 26.82000       1.221000      868.0250      -1.1   
1 1 1 8  44 5  o 5.602000       0.8871000     226.2431      -154.9 
1 1 1 8  44 6  o 6.870000       0.8773000     265.1927      -105.4 
1 1 1 8  44 7  o 1.463000       0.8521000     288.0901      125.0  
1 1 1 8  44 8  o 6.316000       0.9574000     382.0270      -23.1  
1 1 1 8  44 9  o 1.964000       0.8727000     34.03485      -70.5  
1 1 1 8  44 10 o 4.759000       0.7040000     435.4075      -137.1 
1 1 1 8  44 11 o 4.523000       0.9337000     282.0516      71.1   
1 1 1 8  44 12 o 35.31000       1.561000      952.8353      31.2   
1 1 1 8  44 13 o 19.80000       1.804000      713.1307      -111.7 
1 1 1 8  44 14 o 32.21000       1.553000      807.9780      -98.9  
1 1 1 8  44 15 o 3.625000       1.218000      350.6924      56.6   
1 1 1 8  44 16 o 1.680000       1.209000      79.80119      111.2  
1 1 1 8  44 17 o 13.40000       1.319000      521.6829      -119.2 
1 1 1 8  44 18 o 1.644000       1.222000      174.4232      -172.9 
1 1 1 8  44 19 o 10.05000       1.594000      343.2049      81.6   
1 1 1 8  44 20 o 3.832000       1.259000      220.1920      40.8   
1 1 1 8  44 21 o -1.630000      1.231000      80.34039      -120.3 
1 1 1 8  44 22 o 4.975000       1.257000      339.5011      124.0  
1 1 1 8  44 23 o 1.146000       1.241000      125.7712      -151.2 
1 1 1 8  44 24 o 0.7790000      1.278000      163.5410      144.3  
1 1 1 8  44 25 o 12.49000       1.453000      434.4675      -94.0  
1 1 1 8  44 26 o 11.93000       1.527000      449.7971      150.1  
1 1 1 8  44 27 o 8.958000       1.999000      481.1286      -110.7 
1 1 1 8  44 28 o 10.79000       2.091000      387.7715      94.5   
1 1 1 8  44 29 o 11.97000       2.211000      457.9323      147.9  
1 1 1 8  44 30 o 6.750000       2.176000      168.7500      151.2  
1 1 1 8  44 31 o 10.92000       1.576000      470.4784      -104.4 
1 1 1 8  44 32 o 2.205000       1.522000      173.9425      -66.4  
1 1 1 8  44 33 o -0.8276000E-01 1.074000      228.7209      112.1  
1 1 1 8  44 34 o -0.1655000     1.098000      19.33265      -175.9 
1 1 1 8  44 35 o 9.426000       1.661000      ?             ?      
1 1 1 8  44 36 o 5.231000       1.072000      ?             ?      
1 1 1 8  44 37 o 2.794000       1.063000      ?             ?      
1 1 1 8  44 38 o 8.894000       1.691000      ?             ?      
1 1 1 8  44 39 o -0.2973000     1.581000      ?             ?      
1 1 1 8  44 40 o 1.029000       0.7332000     ?             ?      
1 1 1 8  44 41 o 0.9524000      0.7245000     ?             ?      
1 1 1 8  44 42 o -0.6083000     0.7470000     ?             ?      
1 1 1 8  44 43 o 0.5380000      0.8207000     ?             ?      
1 1 1 8  44 44 o 5.277000       1.094000      ?             ?      
1 1 1 8  44 45 o 0.3848000      1.164000      ?             ?      
1 1 1 8  44 46 o -1.223000      1.037000      ?             ?      
1 1 1 8  44 47 o 2.472000       0.9492000     ?             ?      
1 1 1 8  44 48 o 4.080000       0.9864000     ?             ?      
1 1 1 8  44 49 o 0.8798000      0.9715000     ?             ?      
1 1 1 8  44 50 o 2.720000       1.002000      ?             ?      
1 1 1 8  44 51 o 7.738000       1.071000      ?             ?      
1 1 1 8  44 52 o 2.533000       1.052000      ?             ?      
1 1 1 8  44 53 o 1.334000       1.065000      ?             ?      
1 1 1 8  44 54 o 0.5785000      1.078000      ?             ?      
1 1 1 8  44 55 o 2.033000       1.114000      ?             ?      
1 1 1 8  44 56 o -1.422000      1.835000      ?             ?      
1 1 1 8  44 57 o -2.353000      1.552000      ?             ?      
1 1 1 8  45 0  o -0.3710000     1.114000      23.55124      -0.0   
1 1 1 8  45 1  o 3.184000       0.8057000     203.3069      -46.0  
1 1 1 8  45 2  o 1.429000       0.8114000     156.0005      55.1   
1 1 1 8  45 3  o 3.321000       0.8994000     389.8078      125.7  
1 1 1 8  45 4  o 2.846000       0.9765000     252.1226      -84.1  
1 1 1 8  45 5  o 1.560000       0.8835000     217.5967      -84.6  
1 1 1 8  45 6  o 6.503000       0.8871000     325.1827      51.4   
1 1 1 8  45 7  o -0.6770000     0.7696000     25.35034      24.9   
1 1 1 8  45 8  o 0.9211000      0.9542000     239.9932      -170.2 
1 1 1 8  45 9  o 25.33000       1.710000      519.3174      -104.6 
1 1 1 8  45 10 o 5.363000       0.7980000     294.0848      -125.1 
1 1 1 8  45 11 o -0.1441000     0.8713000     221.2426      -4.4   
1 1 1 8  45 12 o 7.916000       1.637000      397.8836      -3.0   
1 1 1 8  45 13 o 3.740000       1.673000      150.9992      -128.1 
1 1 1 8  45 14 o 11.87000       1.426000      504.2887      -84.7  
1 1 1 8  45 15 o -0.3312000     1.224000      99.73463      164.8  
1 1 1 8  45 16 o 19.10000       1.742000      674.4395      111.1  
1 1 1 8  45 17 o 2.444000       1.342000      171.2991      -169.1 
1 1 1 8  45 18 o -2.024000      1.257000      55.83870      -72.7  
1 1 1 8  45 19 o 11.60000       1.339000      354.7874      66.6   
1 1 1 8  45 20 o -0.5753000     1.258000      322.4082      59.0   
1 1 1 8  45 21 o 3.199000       1.283000      193.9507      -52.4  
1 1 1 8  45 22 o 1.953000       1.284000      292.2641      -63.5  
1 1 1 8  45 23 o 2.326000       1.326000      256.9135      -16.6  
1 1 1 8  45 24 o 5.644000       1.432000      249.2878      -5.0   
1 1 1 8  45 25 o 18.95000       1.601000      439.2148      -103.3 
1 1 1 8  45 26 o -0.3176000     1.481000      181.3195      161.2  
1 1 1 8  45 27 o -0.4953000     1.939000      119.0062      118.8  
1 1 1 8  45 28 o 5.946000       1.573000      350.9529      -58.5  
1 1 1 8  45 29 o -0.8864000     2.105000      240.0585      -104.1 
1 1 1 8  45 30 o 1.786000       1.509000      300.4705      -55.2  
1 1 1 8  45 31 o 2.808000       1.512000      249.2536      130.7  
1 1 1 8  45 32 o 0.5878000      1.514000      5.537433      27.6   
1 1 1 8  45 33 o -1.001000      1.545000      ?             ?      
1 1 1 8  45 34 o 6.494000       1.599000      ?             ?      
1 1 1 8  45 35 o 6.203000       1.118000      ?             ?      
1 1 1 8  45 36 o 3.274000       1.080000      ?             ?      
1 1 1 8  45 37 o 0.5726000      1.047000      ?             ?      
1 1 1 8  45 38 o 0.2051000      1.022000      ?             ?      
1 1 1 8  45 39 o 3.183000       1.628000      ?             ?      
1 1 1 8  45 40 o 1.523000       1.559000      ?             ?      
1 1 1 8  45 41 o -0.3157000     0.9894000     ?             ?      
1 1 1 8  45 42 o 3.587000       0.7740000     ?             ?      
1 1 1 8  45 43 o -1.231000      0.7772000     ?             ?      
1 1 1 8  45 44 o -0.1657000     0.7911000     ?             ?      
1 1 1 8  45 45 o 0.1419000      0.8985000     ?             ?      
1 1 1 8  45 46 o 0.9066000      0.9176000     ?             ?      
1 1 1 8  45 47 o 0.8306000      1.036000      ?             ?      
1 1 1 8  45 48 o 0.8831000      0.9033000     ?             ?      
1 1 1 8  45 49 o 1.995000       0.9435000     ?             ?      
1 1 1 8  45 50 o 0.8260000      0.9661000     ?             ?      
1 1 1 8  45 51 o -1.266000      0.9912000     ?             ?      
1 1 1 8  45 52 o -0.2780000     1.066000      ?             ?      
1 1 1 8  45 53 o 2.136000       1.050000      ?             ?      
1 1 1 8  45 54 o 3.642000       1.083000      ?             ?      
1 1 1 8  45 55 o 0.6693000      1.089000      ?             ?      
1 1 1 8  45 56 o 2.056000       1.607000      ?             ?      
1 1 1 8  46 0  o 7.414000       1.223000      430.3837      -180.0 
1 1 1 8  46 1  o 8.665000       0.8747000     324.7268      -102.7 
1 1 1 8  46 2  o 6.452000       0.8573000     335.9693      -168.4 
1 1 1 8  46 3  o 5.774000       0.8516000     94.61780      -46.4  
1 1 1 8  46 4  o 2.444000       0.9895000     290.8359      -50.6  
1 1 1 8  46 5  o 9.081000       0.9322000     325.4873      -136.9 
1 1 1 8  46 6  o 10.75000       0.9432000     431.8231      -169.0 
1 1 1 8  46 7  o 2.643000       0.7905000     26.51027      -89.7  
1 1 1 8  46 8  o 6.716000       0.9177000     300.2138      -98.6  
1 1 1 8  46 9  o 0.9334000      0.9381000     282.7338      56.6   
1 1 1 8  46 10 o 1.280000       0.9726000     223.0291      -120.6 
1 1 1 8  46 11 o 3.146000       0.9069000     291.6209      99.7   
1 1 1 8  46 12 o -0.1515000E-01 0.8862000     79.85583      162.2  
1 1 1 8  46 13 o 25.81000       2.313000      604.4120      -62.9  
1 1 1 8  46 14 o 6.689000       1.607000      215.6779      -103.3 
1 1 1 8  46 15 o 5.973000       1.325000      356.0191      17.7   
1 1 1 8  46 16 o 2.580000       1.283000      172.5679      -159.8 
1 1 1 8  46 17 o 7.809000       1.336000      438.2175      107.7  
1 1 1 8  46 18 o 8.041000       1.350000      373.5979      -99.9  
1 1 1 8  46 19 o 10.99000       1.370000      409.5287      -146.4 
1 1 1 8  46 20 o 0.3199000      1.318000      140.2728      -23.3  
1 1 1 8  46 21 o 3.244000       1.337000      255.9082      -156.7 
1 1 1 8  46 22 o 10.39000       1.437000      305.4403      72.9   
1 1 1 8  46 23 o -0.1810000     1.395000      90.59182      167.6  
1 1 1 8  46 24 o 19.43000       1.635000      512.6104      124.0  
1 1 1 8  46 25 o 7.767000       1.491000      402.1078      -106.5 
1 1 1 8  46 26 o 9.471000       2.054000      483.4795      131.2  
1 1 1 8  46 27 o 0.9762000E-01  2.003000      197.7852      142.4  
1 1 1 8  46 28 o -0.2186000     2.091000      154.8542      176.2  
1 1 1 8  46 29 o 4.603000       2.159000      189.6242      93.0   
1 1 1 8  46 30 o 0.7868000E-01  1.491000      85.39542      -13.7  
1 1 1 8  46 31 o 0.4727000      1.500000      ?             ?      
1 1 1 8  46 32 o 4.213000       1.541000      ?             ?      
1 1 1 8  46 33 o -0.3566000     1.529000      ?             ?      
1 1 1 8  46 34 o 12.53000       1.661000      ?             ?      
1 1 1 8  46 35 o 7.972000       1.612000      ?             ?      
1 1 1 8  46 36 o 0.7317000      1.037000      ?             ?      
1 1 1 8  46 37 o 7.582000       1.615000      ?             ?      
1 1 1 8  46 38 o 1.776000       1.084000      ?             ?      
1 1 1 8  46 39 o 1.812000       0.9936000     ?             ?      
1 1 1 8  46 40 o 0.8245000      1.576000      ?             ?      
1 1 1 8  46 41 o -0.3308000     2.495000      ?             ?      
1 1 1 8  46 42 o 3.886000       2.206000      ?             ?      
1 1 1 8  46 43 o 1.623000       0.7688000     ?             ?      
1 1 1 8  46 44 o 4.817000       0.7465000     ?             ?      
1 1 1 8  46 45 o -0.5316000E-01 0.7275000     ?             ?      
1 1 1 8  46 46 o 0.6529000      0.7634000     ?             ?      
1 1 1 8  46 47 o 0.4039000      0.8989000     ?             ?      
1 1 1 8  46 48 o 1.338000       1.095000      ?             ?      
1 1 1 8  46 49 o 0.2199000      1.029000      ?             ?      
1 1 1 8  46 50 o 2.304000       0.9367000     ?             ?      
1 1 1 8  46 51 o -0.1193000     0.9966000     ?             ?      
1 1 1 8  46 52 o -0.7012000     1.024000      ?             ?      
1 1 1 8  46 53 o 1.262000       1.070000      ?             ?      
1 1 1 8  46 54 o 2.107000       1.052000      ?             ?      
1 1 1 8  46 55 o -0.4618000     1.093000      ?             ?      
1 1 1 8  47 0  o 3.295000       1.229000      126.1002      0.0    
1 1 1 8  47 1  o 15.52000       0.9723000     527.3697      -147.4 
1 1 1 8  47 2  o -1.311000      0.8635000     53.19550      -9.7   
1 1 1 8  47 3  o -0.3162000     0.8528000     29.37259      -21.7  
1 1 1 8  47 4  o 8.843000       1.019000      443.5014      -30.5  
1 1 1 8  47 5  o 2.751000       0.9061000     122.9040      -54.9  
1 1 1 8  47 6  o 1.285000       0.8868000     133.5832      -64.1  
1 1 1 8  47 7  o 4.884000       0.8828000     224.8947      -77.3  
1 1 1 8  47 8  o -1.133000      1.427000      71.64023      133.1  
1 1 1 8  47 9  o 19.84000       1.944000      551.4885      -119.1 
1 1 1 8  47 10 o -2.153000      1.686000      199.8086      -145.9 
1 1 1 8  47 11 o 5.098000       1.681000      387.0312      9.6    
1 1 1 8  47 12 o 0.4621000      0.9165000     110.5849      135.4  
1 1 1 8  47 13 o -0.7378000     1.244000      274.6230      -60.0  
1 1 1 8  47 14 o 13.85000       1.493000      417.8287      94.7   
1 1 1 8  47 15 o 8.556000       1.344000      500.3740      145.9  
1 1 1 8  47 16 o 6.961000       1.329000      252.7808      85.2   
1 1 1 8  47 17 o 19.56000       1.504000      594.1539      -44.8  
1 1 1 8  47 18 o 6.804000       1.384000      293.0648      19.5   
1 1 1 8  47 19 o 0.7973000      1.360000      182.8397      40.0   
1 1 1 8  47 20 o 5.955000       1.401000      304.0658      129.2  
1 1 1 8  47 21 o 6.209000       1.427000      378.5908      -116.7 
1 1 1 8  47 22 o 9.177000       1.464000      390.6487      -88.4  
1 1 1 8  47 23 o 3.276000       1.430000      164.5597      176.2  
1 1 1 8  47 24 o -0.6978000     1.907000      217.6706      -56.8  
1 1 1 8  47 25 o 11.11000       2.446000      553.3116      -131.3 
1 1 1 8  47 26 o 5.870000       2.943000      407.8349      -68.6  
1 1 1 8  47 27 o 25.39000       3.373000      584.7071      -169.8 
1 1 1 8  47 28 o -0.2036000     2.431000      133.6622      -142.6 
1 1 1 8  47 29 o 6.166000       1.513000      ?             ?      
1 1 1 8  47 30 o 1.389000       1.961000      ?             ?      
1 1 1 8  47 31 o 3.818000       1.540000      ?             ?      
1 1 1 8  47 32 o 4.067000       1.557000      ?             ?      
1 1 1 8  47 33 o 5.099000       1.549000      ?             ?      
1 1 1 8  47 34 o 1.925000       1.509000      ?             ?      
1 1 1 8  47 35 o 1.706000       1.533000      ?             ?      
1 1 1 8  47 36 o 1.050000       1.541000      ?             ?      
1 1 1 8  47 37 o 0.3572000E-01  1.537000      ?             ?      
1 1 1 8  47 38 o 0.2859000E-01  1.025000      ?             ?      
1 1 1 8  47 39 o 0.6830000      1.033000      ?             ?      
1 1 1 8  47 40 o 1.540000       1.018000      ?             ?      
1 1 1 8  47 41 o -0.4732000     2.132000      ?             ?      
1 1 1 8  47 42 o 7.929000       4.396000      ?             ?      
1 1 1 8  47 43 o 2.391000       2.652000      ?             ?      
1 1 1 8  47 44 o 1.795000       1.000000      ?             ?      
1 1 1 8  47 45 o 1.435000       0.6832000     ?             ?      
1 1 1 8  47 46 o 0.1482000      0.7124000     ?             ?      
1 1 1 8  47 47 o 0.4296000      0.7447000     ?             ?      
1 1 1 8  47 48 o 2.031000       0.9035000     ?             ?      
1 1 1 8  47 49 o 2.324000       1.137000      ?             ?      
1 1 1 8  47 50 o 1.209000       1.175000      ?             ?      
1 1 1 8  47 51 o 0.7996000      0.9477000     ?             ?      
1 1 1 8  47 52 o -0.8083000     0.9890000     ?             ?      
1 1 1 8  47 53 o 1.107000       1.039000      ?             ?      
1 1 1 8  47 54 o 1.979000       1.065000      ?             ?      
1 1 1 8  48 0  o 12.57000       1.344000      468.0735      -180.0 
1 1 1 8  48 1  o 2.112000       0.8841000     299.4542      -64.8  
1 1 1 8  48 2  o 6.273000       0.9451000     368.5072      1.4    
1 1 1 8  48 3  o 8.475000       0.9455000     402.2308      23.2   
1 1 1 8  48 4  o 2.686000       1.072000      127.4469      130.0  
1 1 1 8  48 5  o 0.6118000      1.001000      63.79479      159.7  
1 1 1 8  48 6  o 5.896000       0.9694000     298.3408      168.0  
1 1 1 8  48 7  o 3.744000       1.160000      171.7732      -75.7  
1 1 1 8  48 8  o -0.2177000E-01 1.165000      50.72367      -172.4 
1 1 1 8  48 9  o 2.151000       1.018000      146.3315      37.6   
1 1 1 8  48 10 o 18.09000       1.627000      543.1183      -127.4 
1 1 1 8  48 11 o 2.173000       0.9817000     249.8459      -72.8  
1 1 1 8  48 12 o 1.121000       0.9115000     189.9949      3.1    
1 1 1 8  48 13 o 7.531000       1.434000      287.6378      -107.2 
1 1 1 8  48 14 o 11.25000       1.476000      324.6996      158.4  
1 1 1 8  48 15 o 1.241000       1.282000      233.7317      80.2   
1 1 1 8  48 16 o 5.489000       1.332000      251.5109      -5.9   
1 1 1 8  48 17 o 3.457000       1.360000      246.7097      165.5  
1 1 1 8  48 18 o 5.786000       1.397000      284.1273      -97.2  
1 1 1 8  48 19 o -0.5153000     1.354000      49.43196      -88.0  
1 1 1 8  48 20 o 1.415000       1.469000      218.2630      -43.6  
1 1 1 8  48 21 o 8.850000       1.457000      183.9561      158.0  
1 1 1 8  48 22 o 2.296000       1.854000      261.1058      -7.2   
1 1 1 8  48 23 o 0.5139000      1.860000      44.24475      -125.6 
1 1 1 8  48 24 o 2.482000       1.858000      158.9899      84.1   
1 1 1 8  48 25 o 0.4608000      2.279000      272.9908      2.6    
1 1 1 8  48 26 f 2.721000       3.873000      337.5173      -128.8 
1 1 1 8  48 27 o 2.725000       2.902000      ?             ?      
1 1 1 8  48 28 o 0.2896000      2.486000      ?             ?      
1 1 1 8  48 29 o 2.268000       1.949000      ?             ?      
1 1 1 8  48 30 o 5.426000       2.007000      ?             ?      
1 1 1 8  48 31 o 3.148000       1.984000      ?             ?      
1 1 1 8  48 32 o -2.013000      1.958000      ?             ?      
1 1 1 8  48 33 o 3.319000       1.520000      ?             ?      
1 1 1 8  48 34 o 2.273000       1.500000      ?             ?      
1 1 1 8  48 35 o 6.705000       1.572000      ?             ?      
1 1 1 8  48 36 o -2.640000      1.512000      ?             ?      
1 1 1 8  48 37 o 3.850000       1.579000      ?             ?      
1 1 1 8  48 38 o -1.568000      1.530000      ?             ?      
1 1 1 8  48 39 o -2.394000      1.038000      ?             ?      
1 1 1 8  48 40 o 0.7930000      1.125000      ?             ?      
1 1 1 8  48 41 o -0.4679000     1.133000      ?             ?      
1 1 1 8  48 42 o 0.9341000      1.067000      ?             ?      
1 1 1 8  48 43 o -1.595000      2.542000      ?             ?      
1 1 1 8  48 44 o 4.101000       2.055000      ?             ?      
1 1 1 8  48 45 o -1.300000      0.9491000     ?             ?      
1 1 1 8  48 46 o 0.9421000      0.6469000     ?             ?      
1 1 1 8  48 47 o 0.1264000      0.6972000     ?             ?      
1 1 1 8  48 48 o 2.037000       0.7664000     ?             ?      
1 1 1 8  48 49 o 1.048000       0.9196000     ?             ?      
1 1 1 8  48 50 o 1.445000       0.9559000     ?             ?      
1 1 1 8  48 51 o 0.6272000      1.176000      ?             ?      
1 1 1 8  48 52 o 0.3167000      0.9739000     ?             ?      
1 1 1 8  48 53 o 1.458000       1.344000      ?             ?      
1 1 1 8  49 0  o -0.2710000     1.273000      268.0767      -180.0 
1 1 1 8  49 1  o 1.163000       0.9563000     108.4028      -177.8 
1 1 1 8  49 2  o 0.9404000      0.9751000     152.1739      54.3   
1 1 1 8  49 3  o -0.6656000     0.9089000     80.58874      -135.6 
1 1 1 8  49 4  o 1.988000       1.197000      255.7950      2.2    
1 1 1 8  49 5  o 2.332000       1.163000      46.19112      -25.5  
1 1 1 8  49 6  o 4.325000       0.9606000     250.8250      176.1  
1 1 1 8  49 7  o 3.354000       0.9178000     209.2758      -88.0  
1 1 1 8  49 8  o -0.3251000     0.9135000     145.9960      83.0   
1 1 1 8  49 9  o 1.271000       0.9891000     268.5253      -37.6  
1 1 1 8  49 10 o -0.9158000     0.9467000     70.04948      138.8  
1 1 1 8  49 11 o 2.696000       0.9889000     214.3972      10.6   
1 1 1 8  49 12 o 5.213000       0.8416000     210.5534      90.3   
1 1 1 8  49 13 o 2.697000       1.238000      123.6057      -104.4 
1 1 1 8  49 14 o 5.806000       1.329000      317.9241      111.3  
1 1 1 8  49 15 o 2.629000       1.316000      180.6658      -54.0  
1 1 1 8  49 16 o 4.181000       1.353000      127.0266      72.7   
1 1 1 8  49 17 o 8.039000       1.411000      290.7198      17.8   
1 1 1 8  49 18 o 2.866000       1.369000      22.53133      -84.7  
1 1 1 8  49 19 o 5.001000       1.420000      227.6759      106.3  
1 1 1 8  49 20 o 0.3918000      1.386000      71.20898      140.7  
1 1 1 8  49 21 f -0.8436000     1.827000      88.80748      -43.0  
1 1 1 8  49 22 o 2.959000       1.842000      214.5036      154.7  
1 1 1 8  49 23 o 3.604000       1.847000      225.7016      143.8  
1 1 1 8  49 24 o 5.308000       2.266000      247.3082      -25.9  
1 1 1 8  49 25 o 4.347000       2.806000      ?             ?      
1 1 1 8  49 26 o 4.138000       2.958000      ?             ?      
1 1 1 8  49 27 o -0.6163000     2.508000      ?             ?      
1 1 1 8  49 28 o 0.5490000      1.942000      ?             ?      
1 1 1 8  49 29 o 3.607000       1.941000      ?             ?      
1 1 1 8  49 30 o -0.3380000E-01 1.955000      ?             ?      
1 1 1 8  49 31 o 4.602000       1.977000      ?             ?      
1 1 1 8  49 32 o 0.3893000      1.518000      ?             ?      
1 1 1 8  49 33 o 6.053000       1.986000      ?             ?      
1 1 1 8  49 34 o 1.103000       1.900000      ?             ?      
1 1 1 8  49 35 o 2.730000       1.954000      ?             ?      
1 1 1 8  49 36 o -1.628000      1.942000      ?             ?      
1 1 1 8  49 37 o 3.453000       1.545000      ?             ?      
1 1 1 8  49 38 o -0.2995000     1.528000      ?             ?      
1 1 1 8  49 39 o -1.554000      1.535000      ?             ?      
1 1 1 8  49 40 o -1.332000      2.084000      ?             ?      
1 1 1 8  49 41 o 0.2915000      1.039000      ?             ?      
1 1 1 8  49 42 o 1.380000       1.124000      ?             ?      
1 1 1 8  49 43 o 1.382000       1.007000      ?             ?      
1 1 1 8  49 44 o 1.892000       1.582000      ?             ?      
1 1 1 8  49 45 o 1.096000       2.007000      ?             ?      
1 1 1 8  49 46 o -0.5346000E-01 2.011000      ?             ?      
1 1 1 8  49 47 o 0.3769000      1.142000      ?             ?      
1 1 1 8  49 48 o 0.4104000      0.6915000     ?             ?      
1 1 1 8  49 49 o -0.4035000     0.7380000     ?             ?      
1 1 1 8  49 50 o 0.8044000      0.7694000     ?             ?      
1 1 1 8  49 51 o -0.5971000     0.9408000     ?             ?      
1 1 1 8  50 0  o -0.7253000     1.306000      9.703541      180.0  
1 1 1 8  50 1  o 3.481000       1.160000      242.0645      -26.6  
1 1 1 8  50 2  o 5.603000       1.477000      298.4525      101.6  
1 1 1 8  50 3  o 1.033000       0.9903000     182.6423      95.2   
1 1 1 8  50 4  o -0.8934000     1.120000      42.38602      46.4   
1 1 1 8  50 5  o 0.6883000      1.271000      62.92228      22.2   
1 1 1 8  50 6  o 1.447000       0.9609000     88.85510      -163.5 
1 1 1 8  50 7  o 3.890000       0.8676000     176.9505      -109.8 
1 1 1 8  50 8  o 4.203000       0.8507000     173.7320      -91.1  
1 1 1 8  50 9  o 3.140000       1.099000      215.3360      -149.2 
1 1 1 8  50 10 o 1.386000       0.9766000     126.5774      70.9   
1 1 1 8  50 11 o 4.086000       1.005000      328.8884      -38.2  
1 1 1 8  50 12 o 0.4201000      0.9444000     77.52335      145.2  
1 1 1 8  50 13 o 2.084000       1.093000      210.0957      152.1  
1 1 1 8  50 14 o 9.885000       1.539000      326.4373      46.9   
1 1 1 8  50 15 o 5.976000       1.384000      151.2888      -81.5  
1 1 1 8  50 16 o 7.069000       1.414000      277.8310      -99.7  
1 1 1 8  50 17 o 2.143000       1.380000      116.3958      174.7  
1 1 1 8  50 18 o 1.044000       1.364000      41.26488      169.0  
1 1 1 8  50 19 o 4.443000       1.405000      240.3283      -144.9 
1 1 1 8  50 20 o 3.672000       1.819000      144.5259      -176.6 
1 1 1 8  50 21 o -0.5948000     1.801000      108.7021      -23.0  
1 1 1 8  50 22 o 2.523000       1.815000      ?             ?      
1 1 1 8  50 23 o -2.585000      1.823000      ?             ?      
1 1 1 8  50 24 o 2.834000       2.262000      ?             ?      
1 1 1 8  50 25 o -0.8392000     3.556000      ?             ?      
1 1 1 8  50 26 o -6.800000      2.722000      ?             ?      
1 1 1 8  50 27 o 2.019000       2.431000      ?             ?      
1 1 1 8  50 28 o 0.4053000      2.768000      ?             ?      
1 1 1 8  50 29 o 2.379000       1.929000      ?             ?      
1 1 1 8  50 30 o -0.6660000     1.903000      ?             ?      
1 1 1 8  50 31 o 1.098000       1.893000      ?             ?      
1 1 1 8  50 32 o 1.252000       1.895000      ?             ?      
1 1 1 8  50 33 o -0.8800000     1.886000      ?             ?      
1 1 1 8  50 34 o 1.644000       1.916000      ?             ?      
1 1 1 8  50 35 o 1.166000       1.913000      ?             ?      
1 1 1 8  50 36 o 1.198000       1.922000      ?             ?      
1 1 1 8  50 37 o 0.9624000      1.922000      ?             ?      
1 1 1 8  50 38 o 4.158000       1.554000      ?             ?      
1 1 1 8  50 39 o 1.696000       2.066000      ?             ?      
1 1 1 8  50 40 o 3.101000       2.133000      ?             ?      
1 1 1 8  50 41 o 2.572000       2.274000      ?             ?      
1 1 1 8  50 42 o -0.1098000E-01 1.079000      ?             ?      
1 1 1 8  50 43 o 0.9677000      1.027000      ?             ?      
1 1 1 8  50 44 o -0.2060000     1.031000      ?             ?      
1 1 1 8  50 45 o 1.090000       1.154000      ?             ?      
1 1 1 8  50 46 o 2.325000       2.733000      ?             ?      
1 1 1 8  50 47 o 0.8442000      2.666000      ?             ?      
1 1 1 8  50 48 o -1.776000      1.728000      ?             ?      
1 1 1 8  50 49 o 0.6267000      0.6696000     ?             ?      
1 1 1 8  50 50 o 0.8911000      0.7211000     ?             ?      
1 1 1 8  51 0  o 4.843000       1.390000      150.4335      180.0  
1 1 1 8  51 1  o 5.970000       1.312000      249.4610      -48.9  
1 1 1 8  51 2  o 1.508000       1.685000      67.48157      -26.0  
1 1 1 8  51 3  o 5.830000       1.165000      180.4760      -150.2 
1 1 1 8  51 4  o 6.191000       1.128000      318.2618      60.1   
1 1 1 8  51 5  o 2.055000       1.154000      107.7230      11.9   
1 1 1 8  51 6  o 4.462000       1.037000      152.0423      -57.7  
1 1 1 8  51 7  o 4.553000       0.8758000     144.4587      -24.5  
1 1 1 8  51 8  o 1.150000       0.8481000     70.24880      179.3  
1 1 1 8  51 9  o -0.7948000     0.9267000     46.93817      -43.3  
1 1 1 8  51 10 o 5.565000       1.023000      164.8546      111.7  
1 1 1 8  51 11 o 0.8252000      1.074000      75.18164      87.8   
1 1 1 8  51 12 o 6.003000       1.379000      192.9963      160.5  
1 1 1 8  51 13 o 0.4208000      1.317000      53.13486      52.0   
1 1 1 8  51 14 o 3.317000       1.320000      128.1896      -9.4   
1 1 1 8  51 15 o 1.649000       1.326000      100.3022      -12.7  
1 1 1 8  51 16 o 1.430000       1.331000      125.9466      80.1   
1 1 1 8  51 17 o 3.512000       1.347000      93.22319      -23.4  
1 1 1 8  51 18 o 2.878000       1.351000      ?             ?      
1 1 1 8  51 19 o 3.670000       1.392000      ?             ?      
1 1 1 8  51 20 o 0.8984000      1.808000      ?             ?      
1 1 1 8  51 21 o 8.175000       1.888000      ?             ?      
1 1 1 8  51 22 o 2.264000       1.830000      ?             ?      
1 1 1 8  51 23 o 4.220000       2.210000      ?             ?      
1 1 1 8  51 24 o -3.258000      2.633000      ?             ?      
1 1 1 8  51 25 o -1.981000      2.685000      ?             ?      
1 1 1 8  51 26 o -1.593000      2.408000      ?             ?      
1 1 1 8  51 27 o 4.367000       1.925000      ?             ?      
1 1 1 8  51 28 o 0.5031000      1.902000      ?             ?      
1 1 1 8  51 29 o 0.1362000      1.874000      ?             ?      
1 1 1 8  51 30 o 0.7750000      1.872000      ?             ?      
1 1 1 8  51 31 o 0.7059000      1.870000      ?             ?      
1 1 1 8  51 32 o -1.172000      1.878000      ?             ?      
1 1 1 8  51 33 o 4.948000       1.962000      ?             ?      
1 1 1 8  51 34 o -0.9113000     1.905000      ?             ?      
1 1 1 8  51 35 o 2.046000       1.902000      ?             ?      
1 1 1 8  51 36 o 2.538000       1.923000      ?             ?      
1 1 1 8  51 37 o -0.3940000     1.931000      ?             ?      
1 1 1 8  51 38 o -1.147000      1.953000      ?             ?      
1 1 1 8  51 39 o 0.2021000      2.439000      ?             ?      
1 1 1 8  51 40 o -0.8230000     4.327000      ?             ?      
1 1 1 8  51 41 o 3.550000       2.258000      ?             ?      
1 1 1 8  51 42 o -0.3643000     1.549000      ?             ?      
1 1 1 8  51 43 o 1.836000       2.133000      ?             ?      
1 1 1 8  51 44 o 0.1787000      1.205000      ?             ?      
1 1 1 8  51 45 o -0.3561000     1.247000      ?             ?      
1 1 1 8  51 46 o -0.3775000     1.244000      ?             ?      
1 1 1 8  51 47 o -0.1425000     1.107000      ?             ?      
1 1 1 8  51 48 o 5.595000       2.788000      ?             ?      
1 1 1 8  51 49 o 0.6067000      2.732000      ?             ?      
1 1 1 8  52 0  o 4.654000       1.417000      244.1508      0.0    
1 1 1 8  52 1  o 0.8582000      1.077000      111.1831      146.5  
1 1 1 8  52 2  o 1.501000       1.073000      69.00054      59.6   
1 1 1 8  52 3  o -0.7240000     0.9650000     66.53453      -151.6 
1 1 1 8  52 4  o 1.339000       0.9640000     110.8686      -9.4   
1 1 1 8  52 5  o 2.103000       1.288000      11.40974      -87.4  
1 1 1 8  52 6  o 3.150000       1.161000      101.7883      -146.1 
1 1 1 8  52 7  f 1.643000       0.8916000     126.3728      -18.5  
1 1 1 8  52 8  o 2.695000       0.8837000     71.49559      13.0   
1 1 1 8  52 9  o -2.657000      1.275000      40.80262      -10.1  
1 1 1 8  52 10 o 0.8316000      0.9541000     67.72746      6.0    
1 1 1 8  52 11 o 0.3934000      0.9606000     68.41220      -166.4 
1 1 1 8  52 12 o 2.106000       0.8889000     64.92295      -172.4 
1 1 1 8  52 13 o 0.3668000      1.321000      27.26976      116.0  
1 1 1 8  52 14 o 0.3460000      1.292000      ?             ?      
1 1 1 8  52 15 o 2.056000       1.322000      ?             ?      
1 1 1 8  52 16 o 1.730000       1.333000      ?             ?      
1 1 1 8  52 17 o 4.408000       1.381000      ?             ?      
1 1 1 8  52 18 o 0.2166000      1.351000      ?             ?      
1 1 1 8  52 19 o 2.755000       1.791000      ?             ?      
1 1 1 8  52 20 o -2.179000      1.758000      ?             ?      
1 1 1 8  52 21 o -0.2666000     1.765000      ?             ?      
1 1 1 8  52 22 o 4.217000       1.814000      ?             ?      
1 1 1 8  52 23 o 2.826000       2.171000      ?             ?      
1 1 1 8  52 24 o 0.7729000      2.724000      ?             ?      
1 1 1 8  52 25 o 2.571000       2.641000      ?             ?      
1 1 1 8  52 26 o 2.972000       2.355000      ?             ?      
1 1 1 8  52 27 o 0.3924000      1.793000      ?             ?      
1 1 1 8  52 28 o 2.514000       1.855000      ?             ?      
1 1 1 8  52 29 o 4.077000       1.897000      ?             ?      
1 1 1 8  52 30 o 4.787000       1.895000      ?             ?      
1 1 1 8  52 31 o 1.372000       2.266000      ?             ?      
1 1 1 8  52 32 o -2.582000      1.844000      ?             ?      
1 1 1 8  52 33 o 2.156000       1.890000      ?             ?      
1 1 1 8  52 34 o 1.590000       1.907000      ?             ?      
1 1 1 8  52 35 o -1.068000      1.916000      ?             ?      
1 1 1 8  52 36 o 2.992000       1.929000      ?             ?      
1 1 1 8  52 37 o 2.438000       1.927000      ?             ?      
1 1 1 8  52 38 o 0.7748000      2.392000      ?             ?      
1 1 1 8  52 39 o 5.956000       4.093000      ?             ?      
1 1 1 8  52 40 o -1.370000      4.273000      ?             ?      
1 1 1 8  52 41 o 2.627000       2.550000      ?             ?      
1 1 1 8  52 42 o 1.348000       2.632000      ?             ?      
1 1 1 8  52 43 o 0.9141000      2.718000      ?             ?      
1 1 1 8  52 44 o -0.5034000     0.9155000     ?             ?      
1 1 1 8  52 45 o 0.4667000      0.9425000     ?             ?      
1 1 1 8  52 46 o 0.2154000      1.252000      ?             ?      
1 1 1 8  52 47 o -0.7106000     1.290000      ?             ?      
1 1 1 8  52 48 o -0.4522000E-01 1.277000      ?             ?      
1 1 1 8  53 0  o -0.2423000     1.345000      61.54276      -180.0 
1 1 1 8  53 1  o 5.117000       1.006000      112.3333      47.5   
1 1 1 8  53 2  o 6.176000       0.9962000     123.0953      -99.1  
1 1 1 8  53 3  o -0.5208000E-02 0.9425000     102.0884      79.5   
1 1 1 8  53 4  o 4.887000       1.098000      146.8588      -21.8  
1 1 1 8  53 5  o 0.3779000      1.076000      103.0429      -44.1  
1 1 1 8  53 6  o 3.426000       1.079000      145.5221      75.3   
1 1 1 8  53 7  o 5.825000       0.9065000     ?             ?      
1 1 1 8  53 8  o 0.9037000      0.8395000     ?             ?      
1 1 1 8  53 9  o 0.8727000      0.9610000     ?             ?      
1 1 1 8  53 10 o 0.8161000      0.9404000     ?             ?      
1 1 1 8  53 11 o 0.4277000      0.9279000     ?             ?      
1 1 1 8  53 12 o -0.7776000     0.8892000     ?             ?      
1 1 1 8  53 13 o 0.5767000      1.339000      ?             ?      
1 1 1 8  53 14 o 0.3639000      1.313000      ?             ?      
1 1 1 8  53 15 o 1.359000       1.337000      ?             ?      
1 1 1 8  53 16 o 4.324000       1.362000      ?             ?      
1 1 1 8  53 17 o -1.011000      1.336000      ?             ?      
1 1 1 8  53 18 o 1.745000       0.8768000     ?             ?      
1 1 1 8  53 19 o -2.053000      1.697000      ?             ?      
1 1 1 8  53 20 o 3.135000       1.747000      ?             ?      
1 1 1 8  53 21 o -0.3193000     1.744000      ?             ?      
1 1 1 8  53 22 o 3.900000       2.140000      ?             ?      
1 1 1 8  53 23 o 0.4065000      2.547000      ?             ?      
1 1 1 8  53 24 o -2.164000      2.604000      ?             ?      
1 1 1 8  53 25 o 0.4561000      2.244000      ?             ?      
1 1 1 8  53 26 o -2.296000      1.794000      ?             ?      
1 1 1 8  53 27 o 3.611000       1.815000      ?             ?      
1 1 1 8  53 28 o 4.344000       1.860000      ?             ?      
1 1 1 8  53 29 o -0.5733000     1.840000      ?             ?      
1 1 1 8  53 30 o 1.228000       2.487000      ?             ?      
1 1 1 8  53 31 o 3.190000       1.883000      ?             ?      
1 1 1 8  53 32 o 1.270000       1.878000      ?             ?      
1 1 1 8  53 33 o 3.742000       1.900000      ?             ?      
1 1 1 8  53 34 o 0.7439000      1.901000      ?             ?      
1 1 1 8  53 35 o 1.700000       1.929000      ?             ?      
1 1 1 8  53 36 o 0.4603000      1.941000      ?             ?      
1 1 1 8  53 37 o 3.495000       2.407000      ?             ?      
1 1 1 8  53 38 o -0.3090000     2.683000      ?             ?      
1 1 1 8  53 39 o -4.258000      4.252000      ?             ?      
1 1 1 8  53 40 o -2.173000      2.617000      ?             ?      
1 1 1 8  53 41 o -2.369000      2.613000      ?             ?      
1 1 1 8  53 42 o -1.538000      2.726000      ?             ?      
1 1 1 8  53 43 o 5.119000       2.752000      ?             ?      
1 1 1 8  53 44 o 1.168000       2.781000      ?             ?      
1 1 1 8  53 46 o 1.112000       0.9399000     ?             ?      
1 1 1 8  54 0  o 4.570000       1.361000      ?             ?      
1 1 1 8  54 1  o 4.278000       1.054000      ?             ?      
1 1 1 8  54 2  o 2.451000       0.9495000     ?             ?      
1 1 1 8  54 3  o 2.724000       0.9497000     ?             ?      
1 1 1 8  54 4  o 5.046000       0.9553000     ?             ?      
1 1 1 8  54 5  o 1.463000       0.9780000     ?             ?      
1 1 1 8  54 6  o 1.014000       1.035000      ?             ?      
1 1 1 8  54 7  o 0.4848000      0.8322000     ?             ?      
1 1 1 8  54 8  o 3.892000       0.8702000     ?             ?      
1 1 1 8  54 9  o 2.837000       0.8887000     ?             ?      
1 1 1 8  54 10 o -0.9498000E-01 0.8595000     ?             ?      
1 1 1 8  54 11 o -1.008000      0.9718000     ?             ?      
1 1 1 8  54 12 o 2.003000       1.125000      ?             ?      
1 1 1 8  54 13 f 1.827000       1.003000      ?             ?      
1 1 1 8  54 14 o 0.5103000      1.763000      ?             ?      
1 1 1 8  54 15 o 3.074000       1.353000      ?             ?      
1 1 1 8  54 16 o 2.297000       1.309000      ?             ?      
1 1 1 8  54 17 o 0.8952000      1.292000      ?             ?      
1 1 1 8  54 18 o 0.4218000      1.682000      ?             ?      
1 1 1 8  54 19 o -2.638000      1.680000      ?             ?      
1 1 1 8  54 20 o 1.041000       1.703000      ?             ?      
1 1 1 8  54 21 o -1.740000      1.704000      ?             ?      
1 1 1 8  54 22 o -0.8010000     2.034000      ?             ?      
1 1 1 8  54 23 o -3.130000      2.622000      ?             ?      
1 1 1 8  54 24 o -1.150000      2.546000      ?             ?      
1 1 1 8  54 25 o 2.521000       2.321000      ?             ?      
1 1 1 8  54 26 o -2.684000      1.789000      ?             ?      
1 1 1 8  54 27 o -0.5230000     1.793000      ?             ?      
1 1 1 8  54 28 o -0.3814000     1.809000      ?             ?      
1 1 1 8  54 29 o -0.1324000     1.814000      ?             ?      
1 1 1 8  54 30 o 0.2859000      1.850000      ?             ?      
1 1 1 8  54 31 o -0.5648000     1.860000      ?             ?      
1 1 1 8  54 32 o 1.181000       1.892000      ?             ?      
1 1 1 8  54 33 o -2.175000      1.864000      ?             ?      
1 1 1 8  54 34 o 1.575000       1.918000      ?             ?      
1 1 1 8  54 35 o 4.646000       1.974000      ?             ?      
1 1 1 8  54 36 o -3.229000      1.928000      ?             ?      
1 1 1 8  54 37 o 0.3347000      2.394000      ?             ?      
1 1 1 8  54 39 o -2.715000      2.782000      ?             ?      
1 1 1 8  54 41 o 0.2376000      2.720000      ?             ?      
1 1 1 8  54 43 o 0.6254000E-01  2.771000      ?             ?      
1 1 1 8  54 44 o 1.532000       2.779000      ?             ?      
1 1 1 8  55 0  o -0.4318000     1.255000      ?             ?      
1 1 1 8  55 1  o -0.9278000     0.9894000     ?             ?      
1 1 1 8  55 2  o 4.320000       0.9479000     ?             ?      
1 1 1 8  55 3  o 7.529000       0.9692000     ?             ?      
1 1 1 8  55 4  o 2.064000       0.8916000     ?             ?      
1 1 1 8  55 5  o -0.4149000     0.9408000     ?             ?      
1 1 1 8  55 6  o 4.019000       1.037000      ?             ?      
1 1 1 8  55 7  o 1.925000       0.8205000     ?             ?      
1 1 1 8  55 8  o 0.4795000E-01  0.8018000     ?             ?      
1 1 1 8  55 9  o -0.5613000E-01 0.7832000     ?             ?      
1 1 1 8  55 10 o -1.778000      0.8178000     ?             ?      
1 1 1 8  55 11 o -0.4000000     0.7537000     ?             ?      
1 1 1 8  55 12 o 1.728000       1.184000      ?             ?      
1 1 1 8  55 13 o -0.1044000     1.242000      ?             ?      
1 1 1 8  55 14 o 1.861000       1.278000      ?             ?      
1 1 1 8  55 15 o 0.4207000      0.9122000     ?             ?      
1 1 1 8  55 16 o 0.3408000      0.8409000     ?             ?      
1 1 1 8  55 17 o -1.218000      0.8191000     ?             ?      
1 1 1 8  55 18 o -1.511000      1.646000      ?             ?      
1 1 1 8  55 19 o 1.522000       1.936000      ?             ?      
1 1 1 8  55 20 o 2.848000       1.964000      ?             ?      
1 1 1 8  55 21 o 1.258000       2.279000      ?             ?      
1 1 1 8  55 22 o -2.329000      2.585000      ?             ?      
1 1 1 8  55 23 o -1.871000      2.690000      ?             ?      
1 1 1 8  55 24 o 3.386000       2.388000      ?             ?      
1 1 1 8  55 25 o 0.2579000E-01  1.787000      ?             ?      
1 1 1 8  55 26 o 0.9804000      1.792000      ?             ?      
1 1 1 8  55 27 o 2.459000       1.838000      ?             ?      
1 1 1 8  55 28 o 0.6576000      2.278000      ?             ?      
1 1 1 8  55 29 o 2.064000       1.826000      ?             ?      
1 1 1 8  55 30 o -0.9445000E-02 1.828000      ?             ?      
1 1 1 8  55 31 o -2.348000      1.844000      ?             ?      
1 1 1 8  55 32 o 4.006000       1.911000      ?             ?      
1 1 1 8  55 33 o 2.639000       1.909000      ?             ?      
1 1 1 8  55 34 o 0.5044000      1.938000      ?             ?      
1 1 1 8  55 35 o 4.483000       1.954000      ?             ?      
1 1 1 8  55 36 o 1.368000       2.625000      ?             ?      
1 1 1 8  55 39 o -5.212000      2.659000      ?             ?      
1 1 1 8  55 40 o 5.921000       2.532000      ?             ?      
1 1 1 8  55 41 o 3.259000       2.480000      ?             ?      
1 1 1 8  55 42 o -0.5023000     2.487000      ?             ?      
1 1 1 8  55 43 o 0.3647000      2.511000      ?             ?      
1 1 1 8  56 0  o 0.2600000      1.240000      ?             ?      
1 1 1 8  56 1  o 4.378000       0.9897000     ?             ?      
1 1 1 8  56 2  o 1.160000       0.9017000     ?             ?      
1 1 1 8  56 3  o 5.518000       1.025000      ?             ?      
1 1 1 8  56 4  o 0.3609000      0.8280000     ?             ?      
1 1 1 8  56 5  o 2.976000       0.9332000     ?             ?      
1 1 1 8  56 6  o -0.1025000E-01 1.102000      ?             ?      
1 1 1 8  56 7  o 1.550000       0.7827000     ?             ?      
1 1 1 8  56 8  o 1.155000       0.7509000     ?             ?      
1 1 1 8  56 9  o 0.6484000      0.7669000     ?             ?      
1 1 1 8  56 10 o -1.432000      0.8100000     ?             ?      
1 1 1 8  56 11 o 1.020000       0.7297000     ?             ?      
1 1 1 8  56 12 o -0.2988000     1.191000      ?             ?      
1 1 1 8  56 13 o 1.617000       1.194000      ?             ?      
1 1 1 8  56 14 o 0.6052000      1.205000      ?             ?      
1 1 1 8  56 15 o 1.212000       1.212000      ?             ?      
1 1 1 8  56 16 o 2.224000       1.246000      ?             ?      
1 1 1 8  56 17 o 0.4415000E-01  2.098000      ?             ?      
1 1 1 8  56 18 o -0.2811000     1.655000      ?             ?      
1 1 1 8  56 19 o 3.900000       2.284000      ?             ?      
1 1 1 8  56 20 o 2.369000       2.291000      ?             ?      
1 1 1 8  56 21 o -0.5066000     2.287000      ?             ?      
1 1 1 8  56 22 o 3.873000       3.483000      ?             ?      
1 1 1 8  56 23 o -3.331000      2.493000      ?             ?      
1 1 1 8  56 24 o -1.150000      2.472000      ?             ?      
1 1 1 8  56 25 o -2.107000      1.997000      ?             ?      
1 1 1 8  56 26 o -0.7834000E-01 1.808000      ?             ?      
1 1 1 8  56 27 o 1.628000       1.822000      ?             ?      
1 1 1 8  56 28 o 2.479000       1.858000      ?             ?      
1 1 1 8  56 29 o 3.990000       1.848000      ?             ?      
1 1 1 8  56 30 o 0.3395000      1.837000      ?             ?      
1 1 1 8  56 31 o -1.129000      1.839000      ?             ?      
1 1 1 8  56 32 o -2.267000      2.266000      ?             ?      
1 1 1 8  56 33 o -1.004000      2.330000      ?             ?      
1 1 1 8  56 34 o -2.455000      2.338000      ?             ?      
1 1 1 8  56 35 o 2.332000       2.401000      ?             ?      
1 1 1 8  56 36 o -2.226000      2.399000      ?             ?      
1 1 1 8  56 37 o 2.645000       4.023000      ?             ?      
1 1 1 8  56 38 o -2.698000      2.728000      ?             ?      
1 1 1 8  56 39 o -4.868000      2.467000      ?             ?      
1 1 1 8  56 40 o 0.5683000      2.441000      ?             ?      
1 1 1 8  56 41 o -3.011000      4.073000      ?             ?      
1 1 1 8  57 0  o 0.2381000      1.225000      ?             ?      
1 1 1 8  57 1  o 0.5421000      0.8688000     ?             ?      
1 1 1 8  57 2  o -0.6666000     0.8493000     ?             ?      
1 1 1 8  57 3  o 1.124000       0.8515000     ?             ?      
1 1 1 8  57 4  o 0.8906000E-01  0.8294000     ?             ?      
1 1 1 8  57 5  o 0.3601000      1.114000      ?             ?      
1 1 1 8  57 6  o 0.4101000      1.038000      ?             ?      
1 1 1 8  57 7  o -0.7949000     0.7503000     ?             ?      
1 1 1 8  57 8  o 0.2686000      0.7216000     ?             ?      
1 1 1 8  57 9  o 0.4125000      0.6329000     ?             ?      
1 1 1 8  57 10 o 0.2202000E-01  0.8049000     ?             ?      
1 1 1 8  57 11 o 1.798000       1.231000      ?             ?      
1 1 1 8  57 12 o 3.908000       1.249000      ?             ?      
1 1 1 8  57 13 o 1.009000       1.224000      ?             ?      
1 1 1 8  57 14 f -0.4184000E-01 1.221000      ?             ?      
1 1 1 8  57 15 o 0.8940000E-01  1.242000      ?             ?      
1 1 1 8  57 16 o 0.6305000E-01  1.243000      ?             ?      
1 1 1 8  57 17 o 2.622000       1.632000      ?             ?      
1 1 1 8  57 18 o 1.289000       1.675000      ?             ?      
1 1 1 8  57 19 o 1.086000       2.113000      ?             ?      
1 1 1 8  57 20 o 2.201000       2.402000      ?             ?      
1 1 1 8  57 21 o -1.367000      2.428000      ?             ?      
1 1 1 8  57 22 o -1.359000      2.606000      ?             ?      
1 1 1 8  57 23 o -0.2557000     2.329000      ?             ?      
1 1 1 8  57 24 o -0.1527000     2.360000      ?             ?      
1 1 1 8  57 25 o 1.025000       2.393000      ?             ?      
1 1 1 8  57 26 o -2.534000      2.093000      ?             ?      
1 1 1 8  57 27 o -0.6579000     2.094000      ?             ?      
1 1 1 8  57 28 o 0.9778000      2.052000      ?             ?      
1 1 1 8  57 29 o 1.993000       2.084000      ?             ?      
1 1 1 8  57 30 o 1.224000       2.169000      ?             ?      
1 1 1 8  57 31 o -3.107000      2.190000      ?             ?      
1 1 1 8  57 32 o -0.8639000     2.215000      ?             ?      
1 1 1 8  57 33 o -0.3133000     2.256000      ?             ?      
1 1 1 8  57 34 o 1.136000       2.278000      ?             ?      
1 1 1 8  57 35 o 6.597000       2.370000      ?             ?      
1 1 1 8  57 36 o -3.218000      3.778000      ?             ?      
1 1 1 8  57 38 o 2.159000       2.759000      ?             ?      
1 1 1 8  57 39 o 0.2060000      2.393000      ?             ?      
1 1 1 8  58 0  o 11.47000       1.435000      ?             ?      
1 1 1 8  58 1  o 2.277000       0.8880000     ?             ?      
1 1 1 8  58 2  o -0.7156000     0.8494000     ?             ?      
1 1 1 8  58 3  o 0.1616000      0.8339000     ?             ?      
1 1 1 8  58 4  o -0.4724000     0.8262000     ?             ?      
1 1 1 8  58 5  o -0.8726000     1.113000      ?             ?      
1 1 1 8  58 6  o 2.355000       0.9565000     ?             ?      
1 1 1 8  58 7  o 6.548000       0.8084000     ?             ?      
1 1 1 8  58 8  o 0.3378000E-01  0.6817000     ?             ?      
1 1 1 8  58 9  o 0.1836000      0.6123000     ?             ?      
1 1 1 8  58 10 o -0.1669000     0.7941000     ?             ?      
1 1 1 8  58 11 o 0.5570000      1.204000      ?             ?      
1 1 1 8  58 12 o 1.027000       1.251000      ?             ?      
1 1 1 8  58 13 o 2.307000       1.257000      ?             ?      
1 1 1 8  58 14 o -0.2949000     1.217000      ?             ?      
1 1 1 8  58 15 o 2.804000       1.250000      ?             ?      
1 1 1 8  58 16 o 0.7392000      1.245000      ?             ?      
1 1 1 8  58 17 o 3.392000       1.676000      ?             ?      
1 1 1 8  58 18 o -0.5717000E-01 1.671000      ?             ?      
1 1 1 8  58 19 o 2.088000       1.691000      ?             ?      
1 1 1 8  58 20 o -1.589000      2.055000      ?             ?      
1 1 1 8  58 21 o 0.1917000      3.296000      ?             ?      
1 1 1 8  58 22 o 1.518000       2.510000      ?             ?      
1 1 1 8  58 23 o 4.298000       2.706000      ?             ?      
1 1 1 8  58 24 o 1.498000       2.308000      ?             ?      
1 1 1 8  58 25 o -2.479000      1.808000      ?             ?      
1 1 1 8  58 26 o -0.5458000     1.808000      ?             ?      
1 1 1 8  58 27 o 2.076000       2.458000      ?             ?      
1 1 1 8  58 28 o -0.2546000E-01 2.461000      ?             ?      
1 1 1 8  58 29 o 0.4501000      2.470000      ?             ?      
1 1 1 8  58 30 o 1.004000       2.195000      ?             ?      
1 1 1 8  58 31 o 0.9575000E-02  2.381000      ?             ?      
1 1 1 8  58 32 o -1.244000      3.631000      ?             ?      
1 1 1 8  58 33 o 3.452000       2.557000      ?             ?      
1 1 1 8  58 34 o -0.6537000     2.509000      ?             ?      
1 1 1 8  58 35 o -2.456000      2.327000      ?             ?      
1 1 1 8  58 36 o -7.195000      3.880000      ?             ?      
1 1 1 8  58 37 o -1.895000      2.782000      ?             ?      
1 1 1 8  59 0  o 1.481000       1.470000      ?             ?      
1 1 1 8  59 1  o 1.932000       0.8693000     ?             ?      
1 1 1 8  59 2  o 5.426000       0.8775000     ?             ?      
1 1 1 8  59 3  o 1.588000       0.8300000     ?             ?      
1 1 1 8  59 4  o 0.2643000      0.8702000     ?             ?      
1 1 1 8  59 5  o 2.606000       1.104000      ?             ?      
1 1 1 8  59 6  o -0.9658000     0.9774000     ?             ?      
1 1 1 8  59 7  o -0.7578000E-01 0.8712000     ?             ?      
1 1 1 8  59 8  o 0.1966000      0.7727000     ?             ?      
1 1 1 8  59 9  o 0.1650000      0.6111000     ?             ?      
1 1 1 8  59 10 o 1.240000       0.7954000     ?             ?      
1 1 1 8  59 11 o -1.428000      1.151000      ?             ?      
1 1 1 8  59 12 o -1.093000      1.239000      ?             ?      
1 1 1 8  59 13 o 2.045000       1.263000      ?             ?      
1 1 1 8  59 14 o 1.260000       1.257000      ?             ?      
1 1 1 8  59 15 o 0.9596000      1.243000      ?             ?      
1 1 1 8  59 16 o 1.674000       1.608000      ?             ?      
1 1 1 8  59 17 o 0.1954000      1.288000      ?             ?      
1 1 1 8  59 18 o -0.1340000     1.662000      ?             ?      
1 1 1 8  59 19 o 0.8842000      2.049000      ?             ?      
1 1 1 8  59 20 o 2.434000       2.407000      ?             ?      
1 1 1 8  59 21 o -0.2626000     2.526000      ?             ?      
1 1 1 8  59 22 o 4.562000       2.344000      ?             ?      
1 1 1 8  59 23 o 0.9598000      2.102000      ?             ?      
1 1 1 8  59 24 o 2.160000       2.122000      ?             ?      
1 1 1 8  59 25 o -2.287000      2.118000      ?             ?      
1 1 1 8  59 26 o -3.280000      2.164000      ?             ?      
1 1 1 8  59 27 o 0.5537000      2.645000      ?             ?      
1 1 1 8  59 28 o 0.8192000      2.679000      ?             ?      
1 1 1 8  59 29 o 3.365000       2.688000      ?             ?      
1 1 1 8  59 30 o 0.3390000      2.291000      ?             ?      
1 1 1 8  59 31 o 1.157000       2.506000      ?             ?      
1 1 1 8  59 32 o -6.549000      2.550000      ?             ?      
1 1 1 8  59 33 o -4.359000      2.519000      ?             ?      
1 1 1 8  59 34 < 0.000000       -1.000000     ?             ?      
1 1 1 8  60 0  o -1.404000      1.347000      ?             ?      
1 1 1 8  60 1  o -0.1167000E-03 0.8246000     ?             ?      
1 1 1 8  60 2  o -0.1758000     0.8233000     ?             ?      
1 1 1 8  60 3  o 2.128000       0.8533000     ?             ?      
1 1 1 8  60 4  o -0.1870000     0.8572000     ?             ?      
1 1 1 8  60 5  o 1.836000       1.036000      ?             ?      
1 1 1 8  60 6  o 0.6034000      0.9799000     ?             ?      
1 1 1 8  60 7  o -0.2279000     0.8623000     ?             ?      
1 1 1 8  60 8  o 0.3185000      0.7383000     ?             ?      
1 1 1 8  60 9  o -0.3777000     0.6102000     ?             ?      
1 1 1 8  60 10 o -0.1293000     0.7878000     ?             ?      
1 1 1 8  60 11 o 2.581000       1.540000      ?             ?      
1 1 1 8  60 12 o -1.032000      1.239000      ?             ?      
1 1 1 8  60 13 o -1.136000      1.218000      ?             ?      
1 1 1 8  60 14 o -0.3705000     1.271000      ?             ?      
1 1 1 8  60 15 o 2.816000       1.304000      ?             ?      
1 1 1 8  60 16 o 1.378000       1.655000      ?             ?      
1 1 1 8  60 17 o -1.247000      1.628000      ?             ?      
1 1 1 8  60 18 o 3.582000       2.027000      ?             ?      
1 1 1 8  60 19 o -0.1128000E-01 2.010000      ?             ?      
1 1 1 8  60 20 o -3.247000      2.512000      ?             ?      
1 1 1 8  60 21 o -2.030000      3.080000      ?             ?      
1 1 1 8  60 22 o -2.274000      2.314000      ?             ?      
1 1 1 8  60 23 o -0.5163000     2.058000      ?             ?      
1 1 1 8  60 24 o 0.2851000      2.118000      ?             ?      
1 1 1 8  60 25 o 3.477000       2.196000      ?             ?      
1 1 1 8  60 26 o 1.371000       2.168000      ?             ?      
1 1 1 8  60 27 o -1.838000      2.195000      ?             ?      
1 1 1 8  60 28 o 1.181000       2.235000      ?             ?      
1 1 1 8  60 29 o -2.031000      3.683000      ?             ?      
1 1 1 8  60 30 o 3.635000       3.734000      ?             ?      
1 1 1 8  60 31 o 0.2695000      2.775000      ?             ?      
1 1 1 8  60 32 o 3.910000       2.771000      ?             ?      
1 1 1 8  60 33 o 0.4355000      2.816000      ?             ?      
1 1 1 8  61 0  o 2.291000       1.363000      ?             ?      
1 1 1 8  61 1  o -0.8467000     0.8174000     ?             ?      
1 1 1 8  61 2  o 1.761000       0.8606000     ?             ?      
1 1 1 8  61 3  o 0.1659000      0.8308000     ?             ?      
1 1 1 8  61 4  o 0.7305000E-01  0.8541000     ?             ?      
1 1 1 8  61 5  o 1.342000       0.9433000     ?             ?      
1 1 1 8  61 6  o -0.2853000E-01 0.9869000     ?             ?      
1 1 1 8  61 7  o 0.4412000      0.8445000     ?             ?      
1 1 1 8  61 8  f 1.001000       0.7554000     ?             ?      
1 1 1 8  61 9  o 2.283000       0.6438000     ?             ?      
1 1 1 8  61 10 o -1.127000      1.221000      ?             ?      
1 1 1 8  61 11 o -0.3163000     1.843000      ?             ?      
1 1 1 8  61 12 o 3.590000       1.690000      ?             ?      
1 1 1 8  61 13 o 1.766000       1.630000      ?             ?      
1 1 1 8  61 14 o 0.9345000      1.618000      ?             ?      
1 1 1 8  61 15 o 1.324000       1.947000      ?             ?      
1 1 1 8  61 16 o 2.022000       1.989000      ?             ?      
1 1 1 8  61 17 o 3.362000       2.007000      ?             ?      
1 1 1 8  61 18 o 1.611000       1.998000      ?             ?      
1 1 1 8  61 19 o -2.952000      2.445000      ?             ?      
1 1 1 8  61 20 o -2.927000      3.407000      ?             ?      
1 1 1 8  61 21 o -1.058000      3.017000      ?             ?      
1 1 1 8  61 22 o -2.730000      2.302000      ?             ?      
1 1 1 8  61 23 o 1.005000       2.100000      ?             ?      
1 1 1 8  61 24 o 1.033000       2.140000      ?             ?      
1 1 1 8  61 25 o -1.302000      2.126000      ?             ?      
1 1 1 8  61 26 o 0.2131000      3.697000      ?             ?      
1 1 1 8  61 27 o 1.074000       2.233000      ?             ?      
1 1 1 8  61 28 o 3.681000       2.253000      ?             ?      
1 1 1 8  61 29 o 2.080000       2.257000      ?             ?      
1 1 1 8  61 30 o 3.123000       2.248000      ?             ?      
1 1 1 8  62 0  o -0.2653000     1.186000      ?             ?      
1 1 1 8  62 1  o 0.9543000E-02  0.8296000     ?             ?      
1 1 1 8  62 2  o -1.278000      0.8233000     ?             ?      
1 1 1 8  62 3  o 1.996000       0.8456000     ?             ?      
1 1 1 8  62 4  o -0.5698000     0.8717000     ?             ?      
1 1 1 8  62 5  o 2.867000       0.9705000     ?             ?      
1 1 1 8  62 6  o 1.294000       1.077000      ?             ?      
1 1 1 8  62 7  o 1.640000       0.9005000     ?             ?      
1 1 1 8  62 8  o -0.5067000     0.7653000     ?             ?      
1 1 1 8  62 9  o -0.7188000     0.6662000     ?             ?      
1 1 1 8  62 10 o 0.3996000      1.262000      ?             ?      
1 1 1 8  62 11 o 4.679000       1.915000      ?             ?      
1 1 1 8  62 12 o -0.1757000     1.667000      ?             ?      
1 1 1 8  62 13 o -0.3329000     1.613000      ?             ?      
1 1 1 8  62 14 o 0.9442000      1.621000      ?             ?      
1 1 1 8  62 15 o 5.232000       1.960000      ?             ?      
1 1 1 8  62 16 o 0.1026000      1.988000      ?             ?      
1 1 1 8  62 17 o 0.5048000      2.049000      ?             ?      
1 1 1 8  62 18 o 1.313000       2.045000      ?             ?      
1 1 1 8  62 19 f 0.6225000      2.513000      ?             ?      
1 1 1 8  62 20 o -0.4154000E-01 3.109000      ?             ?      
1 1 1 8  62 21 < 0.000000       -1.000000     ?             ?      
1 1 1 8  62 22 o 1.326000       2.091000      ?             ?      
1 1 1 8  62 23 o -2.867000      2.130000      ?             ?      
1 1 1 8  62 24 o 1.078000       2.209000      ?             ?      
1 1 1 8  62 25 o 0.1126000      3.792000      ?             ?      
1 1 1 8  62 26 o 4.938000       3.731000      ?             ?      
1 1 1 8  62 27 o -0.8191000     2.188000      ?             ?      
1 1 1 8  62 28 o -1.788000      2.236000      ?             ?      
1 1 1 8  63 0  o 0.5364000      1.182000      ?             ?      
1 1 1 8  63 1  o -1.604000      0.8962000     ?             ?      
1 1 1 8  63 2  o 1.472000       0.8769000     ?             ?      
1 1 1 8  63 3  o 1.696000       0.9124000     ?             ?      
1 1 1 8  63 4  o 1.574000       1.010000      ?             ?      
1 1 1 8  63 5  o 0.5545000      0.9373000     ?             ?      
1 1 1 8  63 6  o 2.286000       1.026000      ?             ?      
1 1 1 8  63 7  o 0.4812000      0.8488000     ?             ?      
1 1 1 8  63 8  o -0.8987000E-01 0.7421000     ?             ?      
1 1 1 8  63 9  o -0.1007000     0.6331000     ?             ?      
1 1 1 8  63 10 o -1.676000      1.247000      ?             ?      
1 1 1 8  63 11 o -1.205000      1.910000      ?             ?      
1 1 1 8  63 12 o 0.6236000      1.636000      ?             ?      
1 1 1 8  63 13 o -1.980000      1.627000      ?             ?      
1 1 1 8  63 14 o 0.9895000      1.650000      ?             ?      
1 1 1 8  63 15 o 1.099000       3.270000      ?             ?      
1 1 1 8  63 16 o 1.185000       2.024000      ?             ?      
1 1 1 8  63 17 o -1.977000      2.034000      ?             ?      
1 1 1 8  63 18 o 4.750000       3.445000      ?             ?      
1 1 1 8  63 19 o 0.6654000      3.449000      ?             ?      
1 1 1 8  63 20 o -2.545000      3.083000      ?             ?      
1 1 1 8  63 21 o 0.3320000      2.353000      ?             ?      
1 1 1 8  63 22 o 0.2618000      2.114000      ?             ?      
1 1 1 8  63 23 o 3.546000       2.194000      ?             ?      
1 1 1 8  63 24 o 0.1402000      3.734000      ?             ?      
1 1 1 8  64 0  o -1.595000      1.188000      ?             ?      
1 1 1 8  64 1  o 1.074000       0.9191000     ?             ?      
1 1 1 8  64 2  o 2.362000       0.8770000     ?             ?      
1 1 1 8  64 3  o 1.362000       0.8910000     ?             ?      
1 1 1 8  64 4  o 0.3197000      0.9701000     ?             ?      
1 1 1 8  64 5  o 0.6873000      0.9307000     ?             ?      
1 1 1 8  64 6  o 0.4541000      1.074000      ?             ?      
1 1 1 8  64 7  o 2.271000       0.8305000     ?             ?      
1 1 1 8  64 8  o -0.6155000     0.7600000     ?             ?      
1 1 1 8  64 9  o -0.6583000     0.7461000     ?             ?      
1 1 1 8  64 10 o 1.713000       1.190000      ?             ?      
1 1 1 8  64 11 o 0.5045000      1.381000      ?             ?      
1 1 1 8  64 12 o 2.950000       1.294000      ?             ?      
1 1 1 8  64 13 o 0.4300000      0.9096000     ?             ?      
1 1 1 8  64 14 o 1.686000       3.231000      ?             ?      
1 1 1 8  64 15 o -0.1445000     3.260000      ?             ?      
1 1 1 8  64 16 o -2.525000      2.008000      ?             ?      
1 1 1 8  64 17 o -0.8541000     2.088000      ?             ?      
1 1 1 8  64 18 o 0.5585000      2.540000      ?             ?      
1 1 1 8  64 19 o 0.1545000      2.399000      ?             ?      
1 1 1 8  64 20 o -0.3835000     2.402000      ?             ?      
1 1 1 8  64 21 o 2.101000       2.186000      ?             ?      
1 1 1 8  65 0  o -1.434000      1.198000      ?             ?      
1 1 1 8  65 1  o 1.244000       0.9230000     ?             ?      
1 1 1 8  65 2  o 1.145000       0.8884000     ?             ?      
1 1 1 8  65 3  o 1.344000       0.8878000     ?             ?      
1 1 1 8  65 4  o -0.1301000     0.9270000     ?             ?      
1 1 1 8  65 5  o -0.5370000E-01 0.9219000     ?             ?      
1 1 1 8  65 6  o 1.084000       1.084000      ?             ?      
1 1 1 8  65 7  o 0.7242000      0.8131000     ?             ?      
1 1 1 8  65 8  o -0.2347000     0.6475000     ?             ?      
1 1 1 8  65 9  o 0.9923000E-01  0.7716000     ?             ?      
1 1 1 8  65 10 o 1.047000       1.904000      ?             ?      
1 1 1 8  65 11 o -0.3218000     1.485000      ?             ?      
1 1 1 8  65 12 o 1.540000       1.717000      ?             ?      
1 1 1 8  65 13 o 2.007000       3.286000      ?             ?      
1 1 1 8  65 14 o 2.835000       2.023000      ?             ?      
1 1 1 8  65 15 o -1.966000      2.008000      ?             ?      
1 1 1 8  65 16 o 0.8552000      2.035000      ?             ?      
1 1 1 8  66 0  o 0.3946000      1.218000      ?             ?      
1 1 1 8  66 1  o 0.3897000      0.9551000     ?             ?      
1 1 1 8  66 2  o -1.253000      0.9165000     ?             ?      
1 1 1 8  66 3  o 1.335000       0.9222000     ?             ?      
1 1 1 8  66 4  o 1.466000       0.9513000     ?             ?      
1 1 1 8  66 5  o 0.7436000      1.054000      ?             ?      
1 1 1 8  66 6  o -1.119000      0.9723000     ?             ?      
1 1 1 8  66 7  o -0.1997000     0.8014000     ?             ?      
1 1 1 8  66 8  o 0.3562000      0.6798000     ?             ?      
1 1 1 8  66 9  o -0.3033000     0.8188000     ?             ?      
1 1 1 8  66 10 o -1.069000      1.883000      ?             ?      
1 1 1 9  0  1  o 0.2210000      0.2515000     7.670980      -90.0  
1 1 1 9  0  2  o 0.5801000      0.2519000     56.79181      -0.0   
1 1 1 9  0  3  o 1.215000       0.2675000     36.19304      -90.0  
1 1 1 9  0  4  o 1.433000       0.2950000     16.48315      -180.0 
1 1 1 9  0  5  o 0.1074000      0.2812000     23.25201      -90.0  
1 1 1 9  0  6  o 0.6829000      0.3144000     44.68289      -0.0   
1 1 1 9  0  7  o 0.8317000      0.3437000     91.99781      -90.0  
1 1 1 9  0  8  o 0.3758000      0.3613000     19.25645      -0.0   
1 1 1 9  0  9  o 1.667000       0.5338000     54.67892      -90.0  
1 1 1 9  0  10 o 1.752000       0.5969000     503.0533      0.0    
1 1 1 9  0  11 o 0.6531000E-01  0.6579000     80.50130      -90.0  
1 1 1 9  0  13 o 1.186000       0.8023000     91.26802      90.0   
1 1 1 9  0  14 o 1.033000       0.6926000     46.97135      0.0    
1 1 1 9  0  15 o 7.240000       0.8196000     217.8872      90.0   
1 1 1 9  0  16 o 0.3033000      0.6488000     65.88304      -0.0   
1 1 1 9  0  17 o 1.069000       0.6898000     96.08545      -90.0  
1 1 1 9  0  18 o 5.213000       0.7673000     201.1213      180.0  
1 1 1 9  0  19 o 0.5970000      0.7571000     95.09163      90.0   
1 1 1 9  0  20 o 1.820000       0.8044000     275.6254      180.0  
1 1 1 9  0  21 o 15.03000       1.021000      235.5029      -90.0  
1 1 1 9  0  22 o 1.625000       0.8842000     215.1263      -180.0 
1 1 1 9  0  23 o -0.8237000E-01 0.9433000     411.7139      90.0   
1 1 1 9  0  24 o 8.331000       1.058000      92.93050      180.0  
1 1 1 9  0  25 o 12.19000       1.169000      320.4305      -90.0  
1 1 1 9  0  26 o 4.600000       1.159000      164.7549      -180.0 
1 1 1 9  0  27 o 12.42000       1.554000      205.6427      -90.0  
1 1 1 9  0  28 o 4.596000       1.318000      42.80579      0.0    
1 1 1 9  0  29 o 5.435000       1.402000      464.6103      90.0   
1 1 1 9  0  30 o 5.113000       1.510000      468.7796      180.0  
1 1 1 9  0  31 o 20.70000       2.050000      422.0949      -90.0  
1 1 1 9  0  32 o 4.369000       2.362000      202.3325      -180.0 
1 1 1 9  0  33 o 8.451000       4.588000      502.9670      90.0   
1 1 1 9  0  34 f 7.478000       2.143000      37.47584      0.0    
1 1 1 9  0  35 o 3.266000       1.731000      431.6686      -90.0  
1 1 1 9  0  36 o 12.84000       1.818000      288.1343      180.0  
1 1 1 9  0  37 o 4.079000       1.619000      239.2296      90.0   
1 1 1 9  0  38 o 4.101000       1.576000      31.28189      180.0  
1 1 1 9  0  39 o 10.79000       1.630000      197.4498      -90.0  
1 1 1 9  0  40 o 3.085000       1.521000      77.13695      0.0    
1 1 1 9  0  41 o 3.774000       1.460000      187.2896      90.0   
1 1 1 9  0  42 o 1.898000       1.436000      34.91864      0.0    
1 1 1 9  0  43 o 2.082000       1.641000      248.3942      90.0   
1 1 1 9  0  44 o 3.141000       1.659000      307.5242      180.0  
1 1 1 9  0  45 o 5.970000       1.547000      86.87225      -90.0  
1 1 1 9  0  46 o 7.093000       1.918000      327.6870      -0.0   
1 1 1 9  0  47 o 2.247000       2.348000      188.5230      90.0   
1 1 1 9  0  48 o -0.9607000     1.564000      42.57073      180.0  
1 1 1 9  0  49 o -0.2598000E-01 1.775000      276.9233      -90.0  
1 1 1 9  0  50 o -1.365000      3.603000      15.15339      0.0    
1 1 1 9  0  51 o 1.984000       2.304000      155.1528      90.0   
1 1 1 9  0  52 o 4.981000       1.714000      220.3416      -0.0   
1 1 1 9  0  53 o -1.725000      1.715000      112.9083      -90.0  
1 1 1 9  0  54 o 6.601000       1.867000      384.3318      180.0  
1 1 1 9  0  55 o 3.303000       1.899000      110.4266      -90.0  
1 1 1 9  0  56 o 1.955000       1.875000      10.70153      0.0    
1 1 1 9  0  57 o 1.712000       1.885000      4.972229      90.0   
1 1 1 9  0  58 f 0.7615000      1.908000      108.4079      180.0  
1 1 1 9  0  59 o 2.553000       1.932000      58.96239      90.0   
1 1 1 9  0  60 o 0.4356000      1.951000      56.28666      0.0    
1 1 1 9  0  61 o 1.969000       1.977000      195.7464      90.0   
1 1 1 9  0  62 o 2.910000       1.986000      ?             ?      
1 1 1 9  0  63 o 3.134000       1.919000      ?             ?      
1 1 1 9  0  64 o 0.8374000      2.208000      ?             ?      
1 1 1 9  0  65 o 2.011000       4.072000      ?             ?      
1 1 1 9  0  66 o 0.9749000      2.624000      ?             ?      
1 1 1 9  0  67 o 0.8787000E-02  1.901000      ?             ?      
1 1 1 9  0  68 f 3.352000       1.929000      ?             ?      
1 1 1 9  0  69 o 3.603000       1.963000      ?             ?      
1 1 1 9  0  70 o -1.290000      1.931000      ?             ?      
1 1 1 9  0  71 o 3.401000       1.981000      ?             ?      
1 1 1 9  0  72 o 2.509000       1.897000      ?             ?      
1 1 1 9  0  73 o -0.4696000     1.911000      ?             ?      
1 1 1 9  0  74 o 5.053000       1.961000      ?             ?      
1 1 1 9  0  75 o 1.763000       1.995000      ?             ?      
1 1 1 9  0  76 o -0.4759000E-02 2.016000      ?             ?      
1 1 1 9  1  0  o 0.6904000      0.2595000     175.2199      90.0   
1 1 1 9  1  1  o 0.5199000      0.1876000     223.1433      163.9  
1 1 1 9  1  2  o 2.997000       0.2007000     295.9445      -44.2  
1 1 1 9  1  3  o 7.288000       0.2560000     652.2350      -86.2  
1 1 1 9  1  4  o 2.620000       0.2240000     261.6587      76.9   
1 1 1 9  1  5  o 0.5180000      0.2018000     223.6711      -54.2  
1 1 1 9  1  6  o 16.24000       0.5900000     688.9178      -14.9  
1 1 1 9  1  7  o 12.15000       0.5067000     477.3525      -116.1 
1 1 1 9  1  8  o 5.654000       0.3019000     447.0883      128.9  
1 1 1 9  1  9  o 1.854000       0.2861000     186.1146      147.9  
1 1 1 9  1  10 o 0.6109000      0.3902000     45.47128      162.1  
1 1 1 9  1  11 o 2.850000       0.5326000     390.0195      -106.5 
1 1 1 9  1  12 o 0.3016000      0.7160000     135.3963      0.9    
1 1 1 9  1  13 o -1.027000      0.6956000     65.58178      -127.1 
1 1 1 9  1  14 o 0.7355000      0.4562000     199.1819      -75.9  
1 1 1 9  1  15 o 2.245000       0.4857000     165.3718      -19.7  
1 1 1 9  1  16 o 2.917000       0.4679000     192.8679      83.1   
1 1 1 9  1  17 o 1.153000       0.4848000     271.4195      32.1   
1 1 1 9  1  18 o 8.291000       0.5642000     267.5804      172.6  
1 1 1 9  1  19 o 5.593000       0.5680000     282.0470      -129.2 
1 1 1 9  1  20 o 3.490000       0.5735000     130.9395      -157.5 
1 1 1 9  1  21 o 4.999000       0.6179000     249.0534      -47.6  
1 1 1 9  1  22 o 1.209000       0.6293000     59.96675      40.8   
1 1 1 9  1  23 o 20.27000       0.9097000     463.7686      72.8   
1 1 1 9  1  24 o 6.520000       0.7468000     361.7721      -162.5 
1 1 1 9  1  25 o 8.942000       0.7988000     446.7349      -137.0 
1 1 1 9  1  26 o 2.864000       0.8100000     191.2850      -122.1 
1 1 1 9  1  27 o 3.956000       0.8787000     276.8203      170.9  
1 1 1 9  1  28 o 11.76000       0.9849000     329.9292      46.4   
1 1 1 9  1  29 o 32.70000       1.380000      798.4181      -77.9  
1 1 1 9  1  30 o 32.89000       1.336000      793.1867      44.2   
1 1 1 9  1  31 o 5.239000       1.195000      382.7549      70.3   
1 1 1 9  1  32 o 4.501000       1.876000      317.7483      121.2  
1 1 1 9  1  33 o 9.162000       2.700000      414.7075      172.7  
1 1 1 9  1  34 o 2.800000       2.229000      367.6838      64.4   
1 1 1 9  1  35 o 4.748000       1.342000      418.1032      90.8   
1 1 1 9  1  36 o 3.322000       1.216000      177.0498      128.0  
1 1 1 9  1  37 o 7.090000       1.153000      377.8117      -155.6 
1 1 1 9  1  38 o 8.261000       1.141000      340.6903      32.5   
1 1 1 9  1  39 o 5.333000       1.113000      125.0230      -2.2   
1 1 1 9  1  40 o 11.20000       1.136000      446.3950      -139.9 
1 1 1 9  1  41 o 3.370000       1.121000      155.9658      44.8   
1 1 1 9  1  42 o 1.880000       1.100000      53.20829      94.4   
1 1 1 9  1  43 o 2.009000       1.036000      117.8042      152.5  
1 1 1 9  1  44 o 5.761000       1.358000      440.5686      -79.8  
1 1 1 9  1  45 o 2.875000       1.185000      174.9861      -11.6  
1 1 1 9  1  46 o 3.166000       1.172000      137.9204      147.7  
1 1 1 9  1  47 o 3.039000       1.189000      116.1647      107.6  
1 1 1 9  1  48 o 4.855000       1.244000      259.9305      -13.4  
1 1 1 9  1  49 o 2.430000       1.492000      130.8237      -15.6  
1 1 1 9  1  50 o -3.164000      2.083000      114.7714      -48.7  
1 1 1 9  1  51 o 5.038000       1.934000      375.4812      64.6   
1 1 1 9  1  52 o 3.520000       1.363000      191.5642      -48.9  
1 1 1 9  1  53 o -0.3099000     1.237000      49.29762      90.2   
1 1 1 9  1  54 o 3.479000       1.290000      242.0502      102.7  
1 1 1 9  1  55 o 4.722000       1.332000      197.5242      175.1  
1 1 1 9  1  56 o 8.074000       1.365000      425.7178      -29.6  
1 1 1 9  1  57 o 4.293000       1.356000      230.1115      20.9   
1 1 1 9  1  58 o 2.376000       1.351000      209.8092      59.9   
1 1 1 9  1  59 o 2.892000       1.375000      155.4120      -44.7  
1 1 1 9  1  60 o 2.798000       1.390000      187.9025      -154.2 
1 1 1 9  1  61 o -0.7793000     1.379000      46.63523      -129.5 
1 1 1 9  1  62 o -1.103000      1.382000      ?             ?      
1 1 1 9  1  63 o 0.6430000E-01  1.359000      ?             ?      
1 1 1 9  1  64 o 0.5558000      1.589000      ?             ?      
1 1 1 9  1  65 o 1.967000       2.478000      ?             ?      
1 1 1 9  1  66 o 1.999000       2.260000      ?             ?      
1 1 1 9  1  67 o 0.7977000      1.445000      ?             ?      
1 1 1 9  1  68 o 0.5018000E-01  1.351000      ?             ?      
1 1 1 9  1  69 o 0.3514000      1.376000      ?             ?      
1 1 1 9  1  70 o 4.182000       1.397000      ?             ?      
1 1 1 9  1  71 o 0.6926000      1.387000      ?             ?      
1 1 1 9  1  72 o 0.5084000      1.363000      ?             ?      
1 1 1 9  1  73 o 1.023000       1.366000      ?             ?      
1 1 1 9  1  74 o -1.934000      1.380000      ?             ?      
1 1 1 9  1  75 o 2.064000       1.419000      ?             ?      
1 1 1 9  1  76 o 2.219000       1.428000      ?             ?      
1 1 1 9  2  0  o 53.90000       1.816000      1236.381      90.0   
1 1 1 9  2  1  o 5.324000       0.2418000     288.6205      114.5  
1 1 1 9  2  2  o 6.361000       0.2827000     657.0641      22.2   
1 1 1 9  2  3  o 5.087000       0.2195000     495.6897      -31.7  
1 1 1 9  2  4  o 73.73000       1.427000      1498.278      90.4   
1 1 1 9  2  5  o 5.125000       0.2430000     128.3605      97.3   
1 1 1 9  2  6  o 21.23000       0.5778000     965.8174      26.6   
1 1 1 9  2  7  o 14.14000       0.4693000     685.8766      -60.4  
1 1 1 9  2  8  o 29.36000       0.7956000     841.5004      82.4   
1 1 1 9  2  9  o 12.50000       0.4784000     550.4819      28.2   
1 1 1 9  2  10 o 7.866000       0.4948000     559.7979      150.3  
1 1 1 9  2  11 o 0.5678000      0.5167000     168.0555      138.3  
1 1 1 9  2  12 o 5.680000       0.7228000     406.2485      130.2  
1 1 1 9  2  13 o 11.86000       0.9098000     383.9591      -3.3   
1 1 1 9  2  14 o 8.167000       0.5611000     431.9934      31.5   
1 1 1 9  2  15 o 0.4989000      0.4795000     370.7428      -55.3  
1 1 1 9  2  16 o 36.37000       1.013000      1096.123      -176.8 
1 1 1 9  2  17 o 0.1072000      0.4810000     196.8446      84.0   
1 1 1 9  2  18 o 14.62000       0.7028000     508.5544      -3.8   
1 1 1 9  2  19 o 7.348000       0.5805000     403.1631      52.7   
1 1 1 9  2  20 o 8.046000       0.6135000     391.2640      162.3  
1 1 1 9  2  21 o 6.113000       0.6340000     461.1806      19.2   
1 1 1 9  2  22 o 15.43000       0.7618000     526.3230      22.1   
1 1 1 9  2  23 o 32.52000       1.025000      624.5018      -124.5 
1 1 1 9  2  24 o 11.20000       0.7917000     584.5786      -62.2  
1 1 1 9  2  25 o 64.55000       1.958000      1346.627      -14.1  
1 1 1 9  2  26 o 10.07000       0.8578000     514.5427      142.9  
1 1 1 9  2  27 o 18.67000       0.9982000     448.4363      26.5   
1 1 1 9  2  28 o 2.230000       0.9210000     471.3233      10.6   
1 1 1 9  2  29 o 40.23000       1.654000      1061.384      141.7  
1 1 1 9  2  30 o 29.92000       1.296000      808.0129      156.5  
1 1 1 9  2  31 o 43.74000       1.735000      877.8065      -90.4  
1 1 1 9  2  32 o 5.365000       1.671000      274.8572      -162.6 
1 1 1 9  2  33 o 15.31000       1.883000      623.2088      37.7   
1 1 1 9  2  34 o 23.93000       2.887000      744.3790      -167.7 
1 1 1 9  2  35 o 2.370000       1.350000      182.0264      -44.6  
1 1 1 9  2  36 o 7.766000       1.205000      181.9615      -98.9  
1 1 1 9  2  37 o 7.242000       1.148000      237.1553      149.3  
1 1 1 9  2  38 o 9.582000       1.239000      271.8522      168.8  
1 1 1 9  2  39 o 14.53000       1.262000      437.7249      -55.6  
1 1 1 9  2  40 o 10.13000       1.119000      371.4292      -28.4  
1 1 1 9  2  41 o 4.872000       1.170000      302.1996      -135.4 
1 1 1 9  2  42 o 10.90000       1.405000      433.8264      46.8   
1 1 1 9  2  43 o 7.706000       1.078000      463.1094      -35.3  
1 1 1 9  2  44 o 8.535000       1.149000      274.5464      -112.4 
1 1 1 9  2  45 o 1.515000       1.124000      61.71500      89.6   
1 1 1 9  2  46 o 3.779000       1.076000      168.5672      25.5   
1 1 1 9  2  47 o 12.09000       1.163000      609.2685      82.3   
1 1 1 9  2  48 o 8.471000       1.329000      369.2517      3.1    
1 1 1 9  2  49 o -0.1375000     1.504000      135.5826      -43.5  
1 1 1 9  2  50 o 3.277000       1.813000      228.0025      -178.1 
1 1 1 9  2  51 o 0.7734000      1.825000      17.74260      -73.4  
1 1 1 9  2  52 o 1.227000       1.491000      116.1272      -61.6  
1 1 1 9  2  53 o 11.89000       1.436000      431.1199      -121.4 
1 1 1 9  2  54 o 5.039000       1.370000      255.5195      134.8  
1 1 1 9  2  55 o 9.409000       1.363000      428.6093      17.1   
1 1 1 9  2  56 o 0.1537000      1.326000      130.3546      -179.1 
1 1 1 9  2  57 o 2.683000       1.351000      134.3712      -173.5 
1 1 1 9  2  58 o 2.371000       1.359000      235.4814      -22.0  
1 1 1 9  2  59 o 1.830000       1.375000      155.3081      76.8   
1 1 1 9  2  60 o 6.061000       1.431000      386.2655      99.8   
1 1 1 9  2  61 o 4.015000       1.421000      ?             ?      
1 1 1 9  2  62 o 4.243000       1.416000      ?             ?      
1 1 1 9  2  63 o 1.853000       1.481000      ?             ?      
1 1 1 9  2  64 o 1.887000       1.831000      ?             ?      
1 1 1 9  2  65 o 3.350000       1.830000      ?             ?      
1 1 1 9  2  66 o -0.8105000     1.803000      ?             ?      
1 1 1 9  2  67 o 4.134000       1.591000      ?             ?      
1 1 1 9  2  68 o 2.793000       1.384000      ?             ?      
1 1 1 9  2  69 o -3.149000      1.373000      ?             ?      
1 1 1 9  2  70 o 1.954000       1.375000      ?             ?      
1 1 1 9  2  71 o 2.881000       1.383000      ?             ?      
1 1 1 9  2  72 o 2.607000       1.389000      ?             ?      
1 1 1 9  2  73 o -0.4306000     1.378000      ?             ?      
1 1 1 9  2  74 o 1.477000       1.382000      ?             ?      
1 1 1 9  2  75 o 1.715000       1.413000      ?             ?      
1 1 1 9  2  76 o 1.261000       1.426000      ?             ?      
1 1 1 9  3  0  o 2.399000       0.2942000     600.7414      90.0   
1 1 1 9  3  1  o 9.887000       0.3517000     403.0232      18.9   
1 1 1 9  3  2  o 10.55000       0.2836000     417.4629      -54.8  
1 1 1 9  3  3  o 38.14000       0.7361000     1137.614      -72.1  
1 1 1 9  3  4  o 5.744000       0.2425000     468.6641      77.1   
1 1 1 9  3  5  o 14.53000       0.3662000     747.6702      167.2  
1 1 1 9  3  6  o 17.80000       0.4661000     689.4782      -28.6  
1 1 1 9  3  7  o 70.65000       1.454000      1519.504      -133.2 
1 1 1 9  3  8  o 3.918000       0.3142000     239.4650      120.2  
1 1 1 9  3  9  o 9.524000       0.4133000     801.0357      170.6  
1 1 1 9  3  10 o 10.62000       0.4949000     448.2705      110.6  
1 1 1 9  3  11 o 20.50000       1.484000      808.7836      -175.8 
1 1 1 9  3  12 o 21.10000       0.8632000     767.6157      62.1   
1 1 1 9  3  13 o 10.06000       0.6150000     588.0850      19.5   
1 1 1 9  3  14 o 11.40000       0.6830000     693.7656      68.9   
1 1 1 9  3  15 o 5.296000       0.5207000     89.57729      156.0  
1 1 1 9  3  16 o 13.76000       0.6879000     362.6166      39.8   
1 1 1 9  3  17 o 20.96000       0.7033000     728.4786      -145.9 
1 1 1 9  3  18 o 10.19000       0.5898000     636.1962      115.2  
1 1 1 9  3  19 o 12.99000       0.6411000     674.6177      -125.0 
1 1 1 9  3  20 o 46.85000       1.276000      1087.128      -176.3 
1 1 1 9  3  21 o 33.91000       0.9877000     774.2764      128.8  
1 1 1 9  3  22 o 38.17000       1.186000      1058.983      84.4   
1 1 1 9  3  23 o 17.27000       0.8171000     706.3549      114.5  
1 1 1 9  3  24 o 27.85000       0.9881000     794.9354      -110.2 
1 1 1 9  3  25 o 21.19000       0.9416000     546.7614      -132.9 
1 1 1 9  3  26 o 86.86000       2.193000      1436.771      147.3  
1 1 1 9  3  27 o 69.94000       1.916000      1391.449      -91.5  
1 1 1 9  3  28 o 14.95000       1.011000      663.7015      -76.7  
1 1 1 9  3  29 o 24.34000       1.166000      604.1788      16.5   
1 1 1 9  3  30 o 50.36000       1.673000      755.8188      -3.7   
1 1 1 9  3  31 o 40.66000       2.067000      742.3073      -131.9 
1 1 1 9  3  32 o 181.2000       5.506000      1577.916      165.5  
1 1 1 9  3  33 o 62.41000       2.398000      1224.230      168.4  
1 1 1 9  3  34 o 26.70000       1.899000      802.5925      -150.1 
1 1 1 9  3  35 o 42.23000       2.103000      861.1242      166.1  
1 1 1 9  3  36 o 13.88000       1.326000      393.2299      49.6   
1 1 1 9  3  37 o 16.50000       1.313000      459.8501      163.5  
1 1 1 9  3  38 o 26.70000       1.317000      680.7921      8.2    
1 1 1 9  3  39 o 20.19000       1.546000      592.9785      -118.0 
1 1 1 9  3  40 o 5.341000       1.180000      520.2744      113.8  
1 1 1 9  3  41 o 12.37000       1.125000      613.7734      -127.2 
1 1 1 9  3  42 o 3.293000       1.122000      222.3921      -10.5  
1 1 1 9  3  43 o 9.982000       1.152000      478.2207      72.1   
1 1 1 9  3  44 o 2.666000       1.031000      170.7603      -117.1 
1 1 1 9  3  45 o 10.17000       1.093000      441.3235      13.8   
1 1 1 9  3  46 o 7.957000       1.088000      445.5894      168.9  
1 1 1 9  3  47 o 9.921000       1.114000      393.2439      16.7   
1 1 1 9  3  48 o 10.95000       1.316000      482.7845      73.2   
1 1 1 9  3  49 o 5.127000       1.615000      161.7016      -17.4  
1 1 1 9  3  50 o 11.98000       1.383000      529.3724      4.1    
1 1 1 9  3  51 o 6.837000       2.120000      354.6024      12.3   
1 1 1 9  3  52 o 0.6946000      1.616000      167.4575      -128.5 
1 1 1 9  3  53 o 14.80000       1.620000      613.6443      153.2  
1 1 1 9  3  54 o 0.8006000      1.578000      129.0579      77.7   
1 1 1 9  3  55 o 7.782000       1.356000      345.9250      -19.3  
1 1 1 9  3  56 o 21.61000       1.574000      689.2388      7.4    
1 1 1 9  3  57 o 7.361000       1.464000      310.0135      23.6   
1 1 1 9  3  58 o 1.632000       1.371000      272.0892      -178.4 
1 1 1 9  3  59 o 11.50000       1.443000      413.5512      -69.5  
1 1 1 9  3  60 o 12.41000       1.474000      467.1318      179.8  
1 1 1 9  3  61 o 2.700000       1.421000      ?             ?      
1 1 1 9  3  62 o 1.917000       1.415000      ?             ?      
1 1 1 9  3  63 o 7.184000       1.649000      ?             ?      
1 1 1 9  3  64 o 4.730000       1.816000      ?             ?      
1 1 1 9  3  65 o 0.3728000      1.487000      ?             ?      
1 1 1 9  3  66 o 0.5571000E-01  1.602000      ?             ?      
1 1 1 9  3  67 o 2.591000       1.789000      ?             ?      
1 1 1 9  3  68 o -0.4524000     1.479000      ?             ?      
1 1 1 9  3  69 o -0.2557000     1.374000      ?             ?      
1 1 1 9  3  70 o 3.247000       1.378000      ?             ?      
1 1 1 9  3  71 o 0.4468000      1.375000      ?             ?      
1 1 1 9  3  72 o 4.486000       1.517000      ?             ?      
1 1 1 9  3  73 o 1.065000       1.387000      ?             ?      
1 1 1 9  3  74 o -0.5592000     1.387000      ?             ?      
1 1 1 9  3  75 o -0.7233000     1.401000      ?             ?      
1 1 1 9  3  76 o 1.523000       1.547000      ?             ?      
1 1 1 9  4  0  o 61.19000       1.765000      872.6750      90.0   
1 1 1 9  4  1  o 63.28000       1.125000      1271.374      -177.4 
1 1 1 9  4  2  o 14.87000       0.5147000     620.5442      43.7   
1 1 1 9  4  3  o 41.06000       0.8358000     888.0966      114.7  
1 1 1 9  4  4  o 113.6000       2.153000      1576.083      88.9   
1 1 1 9  4  5  o 75.26000       1.378000      1627.330      69.8   
1 1 1 9  4  6  o 131.8000       2.632000      1935.259      -20.8  
1 1 1 9  4  7  o 10.09000       0.3571000     272.8455      108.4  
1 1 1 9  4  8  o 98.01000       2.294000      1431.561      116.6  
1 1 1 9  4  9  o 14.08000       0.5651000     305.7250      -106.0 
1 1 1 9  4  10 o 7.413000       0.4631000     467.8883      -101.1 
1 1 1 9  4  11 o 16.84000       0.5932000     657.2000      169.4  
1 1 1 9  4  12 o 30.52000       0.8363000     743.2002      -173.0 
1 1 1 9  4  13 o 34.56000       1.118000      990.7968      20.7   
1 1 1 9  4  14 o 6.071000       0.6093000     688.8195      -75.5  
1 1 1 9  4  15 o 65.25000       1.856000      1074.598      57.9   
1 1 1 9  4  16 o 144.1000       3.187000      2049.898      145.7  
1 1 1 9  4  17 o 65.33000       1.465000      1181.170      20.1   
1 1 1 9  4  18 o 34.85000       0.9429000     922.8109      -21.8  
1 1 1 9  4  19 o 9.842000       0.6151000     786.3646      -61.6  
1 1 1 9  4  20 o 1.377000       0.5889000     176.1326      145.7  
1 1 1 9  4  21 o 48.43000       1.232000      859.7238      8.3    
1 1 1 9  4  22 o 179.0000       3.680000      2066.881      49.3   
1 1 1 9  4  23 o 44.69000       1.213000      1138.000      -22.4  
1 1 1 9  4  24 o 30.43000       1.034000      1073.547      -41.1  
1 1 1 9  4  25 o 58.44000       1.508000      1315.781      -15.1  
1 1 1 9  4  26 o 31.91000       1.128000      761.4002      -19.9  
1 1 1 9  4  27 o 55.07000       1.618000      1197.295      23.7   
1 1 1 9  4  28 o 6.777000       0.9681000     213.6354      61.9   
1 1 1 9  4  29 o 33.18000       1.292000      1057.659      163.8  
1 1 1 9  4  30 o 95.08000       2.645000      1264.729      130.9  
1 1 1 9  4  31 o 123.7000       3.973000      1531.899      -52.9  
1 1 1 9  4  32 o 21.52000       1.654000      358.2534      154.3  
1 1 1 9  4  33 o 27.38000       1.457000      818.7828      -54.2  
1 1 1 9  4  34 o 29.14000       1.897000      824.5814      -117.1 
1 1 1 9  4  35 o 123.1000       3.762000      1763.202      -83.1  
1 1 1 9  4  36 o 44.17000       1.833000      828.4602      -43.8  
1 1 1 9  4  37 o 29.89000       1.732000      612.8878      133.5  
1 1 1 9  4  38 o 42.94000       1.629000      968.9197      -100.5 
1 1 1 9  4  39 o 5.413000       1.093000      33.43412      -12.6  
1 1 1 9  4  40 o 17.73000       1.260000      634.9701      19.9   
1 1 1 9  4  41 o 39.42000       1.443000      687.0468      -13.3  
1 1 1 9  4  42 f 24.92000       1.227000      676.5479      54.0   
1 1 1 9  4  43 o 7.106000       1.054000      315.9794      -173.7 
1 1 1 9  4  44 o 12.68000       1.095000      463.7124      -141.2 
1 1 1 9  4  45 o 29.54000       1.298000      713.4961      -43.2  
1 1 1 9  4  46 o 17.19000       1.172000      702.7717      127.0  
1 1 1 9  4  47 o 11.02000       1.194000      581.9154      -136.4 
1 1 1 9  4  48 o 4.221000       1.408000      173.5245      13.9   
1 1 1 9  4  49 o 46.03000       1.843000      928.5291      116.4  
1 1 1 9  4  50 o 6.006000       1.156000      270.5359      -113.0 
1 1 1 9  4  51 o 7.495000       1.420000      342.3008      -54.3  
1 1 1 9  4  52 o 18.14000       1.739000      560.0993      -23.3  
1 1 1 9  4  53 o 5.547000       1.438000      346.8399      -159.2 
1 1 1 9  4  54 o 10.62000       1.413000      459.5142      144.8  
1 1 1 9  4  55 o 3.012000       1.422000      250.6575      10.7   
1 1 1 9  4  56 f 26.77000       1.943000      690.5989      118.4  
1 1 1 9  4  57 o 5.647000       1.500000      346.4165      -121.5 
1 1 1 9  4  58 o 18.81000       1.603000      620.0569      6.3    
1 1 1 9  4  59 o 6.972000       1.504000      408.0936      -168.8 
1 1 1 9  4  60 o 4.460000       1.422000      268.9375      80.1   
1 1 1 9  4  61 o 4.761000       1.426000      ?             ?      
1 1 1 9  4  62 o 2.657000       1.428000      ?             ?      
1 1 1 9  4  63 o 5.523000       1.634000      ?             ?      
1 1 1 9  4  64 o 5.102000       1.613000      ?             ?      
1 1 1 9  4  65 o 2.534000       1.385000      ?             ?      
1 1 1 9  4  66 o 6.740000       1.531000      ?             ?      
1 1 1 9  4  67 o 2.314000       1.721000      ?             ?      
1 1 1 9  4  68 o 0.9254000      1.587000      ?             ?      
1 1 1 9  4  69 o 2.453000       1.378000      ?             ?      
1 1 1 9  4  70 o 4.612000       1.407000      ?             ?      
1 1 1 9  4  71 o 2.988000       1.398000      ?             ?      
1 1 1 9  4  72 o 2.134000       1.391000      ?             ?      
1 1 1 9  4  73 o 0.3167000E-01  1.395000      ?             ?      
1 1 1 9  4  74 o 2.221000       1.409000      ?             ?      
1 1 1 9  4  75 o 0.6342000      1.418000      ?             ?      
1 1 1 9  4  76 o 0.8613000      1.671000      ?             ?      
1 1 1 9  5  0  o 2.883000       0.3176000     810.6298      -90.0  
1 1 1 9  5  1  o 48.44000       1.125000      718.8373      -6.2   
1 1 1 9  5  2  o 9.388000       0.3597000     410.8431      -137.0 
1 1 1 9  5  3  o 113.0000       1.943000      1014.000      -62.6  
1 1 1 9  5  4  o 118.1000       2.113000      1476.728      149.5  
1 1 1 9  5  5  o 13.35000       0.3703000     434.0674      115.3  
1 1 1 9  5  6  o 178.6000       3.372000      1564.354      -138.0 
1 1 1 9  5  7  o 7.171000       0.2981000     790.1459      -96.1  
1 1 1 9  5  8  o 190.0000       4.061000      2230.910      103.1  
1 1 1 9  5  9  o 11.66000       0.4985000     104.3775      -12.9  
1 1 1 9  5  10 o 171.0000       4.406000      1931.037      -124.4 
1 1 1 9  5  11 o 52.78000       1.315000      1076.363      88.3   
1 1 1 9  5  12 o 1.755000       0.3965000     193.5701      -134.3 
1 1 1 9  5  13 o 122.9000       2.897000      1882.637      105.7  
1 1 1 9  5  14 o 74.06000       2.052000      1315.072      151.7  
1 1 1 9  5  15 o 153.9000       4.020000      1908.396      -53.8  
1 1 1 9  5  16 o 6.201000       0.5671000     493.5724      107.9  
1 1 1 9  5  17 o 22.64000       0.7842000     556.7958      -164.6 
1 1 1 9  5  18 o 34.67000       1.021000      1080.454      110.5  
1 1 1 9  5  19 o 33.52000       0.9405000     754.4331      57.3   
1 1 1 9  5  20 o 110.9000       2.352000      1607.662      79.0   
1 1 1 9  5  21 o 52.97000       1.319000      1024.751      143.9  
1 1 1 9  5  22 o 69.56000       1.631000      1236.916      162.1  
1 1 1 9  5  23 o 107.4000       2.336000      1574.219      126.3  
1 1 1 9  5  24 o 250.1000       5.069000      2526.559      45.2   
1 1 1 9  5  25 o 48.62000       1.359000      1057.179      110.5  
1 1 1 9  5  26 o 60.88000       1.584000      1060.710      141.4  
1 1 1 9  5  27 o 203.5000       4.226000      1651.732      -35.7  
1 1 1 9  5  28 o 13.11000       1.022000      540.4403      -176.0 
1 1 1 9  5  29 o 33.05000       1.382000      657.0020      -172.3 
1 1 1 9  5  30 o 284.6000       6.735000      2227.368      -75.3  
1 1 1 9  5  31 o 68.70000       3.128000      1017.820      -177.0 
1 1 1 9  5  32 o 184.4000       4.582000      1699.061      148.6  
1 1 1 9  5  33 o 66.37000       2.098000      1184.629      -136.0 
1 1 1 9  5  34 o 81.64000       2.825000      1147.083      -103.8 
1 1 1 9  5  35 o 464.9000       12.02000      2826.260      138.0  
1 1 1 9  5  36 o 11.07000       1.626000      325.5905      -2.4   
1 1 1 9  5  37 o 6.070000       1.568000      123.7405      -108.3 
1 1 1 9  5  38 o 6.393000       1.189000      360.8174      -176.6 
1 1 1 9  5  39 o 22.11000       1.211000      766.5165      100.1  
1 1 1 9  5  40 o 37.16000       1.397000      900.3253      108.0  
1 1 1 9  5  41 o 84.82000       2.145000      1278.378      -150.6 
1 1 1 9  5  42 o 5.063000       1.050000      466.3004      -34.6  
1 1 1 9  5  43 o 31.35000       1.393000      775.3863      24.6   
1 1 1 9  5  44 o 15.46000       1.122000      431.5838      -162.9 
1 1 1 9  5  45 o 10.63000       1.085000      568.7970      -49.5  
1 1 1 9  5  46 o 1.460000       1.041000      130.6951      -52.0  
1 1 1 9  5  47 o 22.29000       1.415000      637.7317      -29.2  
1 1 1 9  5  48 o 3.160000       1.393000      154.7626      93.3   
1 1 1 9  5  49 o 4.543000       1.195000      307.2504      -114.0 
1 1 1 9  5  50 o 6.966000       1.165000      537.7496      48.2   
1 1 1 9  5  51 o 9.399000       1.308000      550.2910      -3.0   
1 1 1 9  5  52 o 6.189000       1.661000      378.4091      -106.1 
1 1 1 9  5  53 o 10.15000       1.721000      492.7528      142.4  
1 1 1 9  5  54 o 32.52000       1.598000      919.3224      -79.4  
1 1 1 9  5  55 o 2.866000       1.383000      238.6287      -142.6 
1 1 1 9  5  56 o 6.744000       1.437000      303.1062      -43.1  
1 1 1 9  5  57 o 7.098000       1.391000      327.6435      140.4  
1 1 1 9  5  58 o 13.45000       1.814000      525.6445      -26.4  
1 1 1 9  5  59 o 6.975000       1.560000      446.3175      -10.3  
1 1 1 9  5  60 o 31.93000       1.711000      904.8789      101.7  
1 1 1 9  5  61 o 10.91000       1.554000      ?             ?      
1 1 1 9  5  62 o 4.393000       1.521000      ?             ?      
1 1 1 9  5  63 o 2.289000       1.786000      ?             ?      
1 1 1 9  5  64 o 6.780000       1.603000      ?             ?      
1 1 1 9  5  65 o 2.000000       1.365000      ?             ?      
1 1 1 9  5  66 o 5.502000       1.522000      ?             ?      
1 1 1 9  5  67 o 1.748000       1.822000      ?             ?      
1 1 1 9  5  68 o 3.662000       1.822000      ?             ?      
1 1 1 9  5  69 o 5.112000       1.417000      ?             ?      
1 1 1 9  5  70 o -0.7266000     1.374000      ?             ?      
1 1 1 9  5  71 o 2.937000       1.392000      ?             ?      
1 1 1 9  5  72 o 1.939000       1.383000      ?             ?      
1 1 1 9  5  73 o 5.787000       1.433000      ?             ?      
1 1 1 9  5  74 o 1.852000       1.414000      ?             ?      
1 1 1 9  5  75 f -0.2011000     1.420000      ?             ?      
1 1 1 9  5  76 o 4.337000       1.691000      ?             ?      
1 1 1 9  6  0  o 4.700000       0.3339000     266.5397      90.0   
1 1 1 9  6  1  o 90.22000       1.490000      910.7559      140.7  
1 1 1 9  6  2  o 191.1000       3.241000      1879.318      55.7   
1 1 1 9  6  3  o 8.044000       0.2863000     779.5786      37.2   
1 1 1 9  6  4  o 87.14000       1.905000      1392.278      170.0  
1 1 1 9  6  5  o 27.94000       0.6348000     852.5087      74.3   
1 1 1 9  6  6  o 12.30000       0.4141000     664.7133      -61.0  
1 1 1 9  6  7  o 25.12000       0.6232000     562.2357      -165.6 
1 1 1 9  6  8  o 112.5000       2.448000      1786.455      4.2    
1 1 1 9  6  9  o 149.5000       4.201000      1937.655      -35.9  
1 1 1 9  6  10 o 12.70000       0.4889000     436.8974      -142.0 
1 1 1 9  6  11 o 6.121000       0.3855000     441.1467      -104.6 
1 1 1 9  6  12 o 110.9000       2.456000      1392.217      123.8  
1 1 1 9  6  13 o 219.0000       4.711000      1862.912      -45.8  
1 1 1 9  6  14 o 30.69000       1.060000      912.4312      117.4  
1 1 1 9  6  15 o 242.3000       5.908000      2034.369      15.3   
1 1 1 9  6  16 o 17.18000       0.7668000     706.1755      -171.0 
1 1 1 9  6  17 o 63.65000       1.560000      1381.842      -56.3  
1 1 1 9  6  18 o 7.377000       0.5753000     323.7500      91.2   
1 1 1 9  6  19 o 7.759000       0.6066000     235.9568      -135.7 
1 1 1 9  6  20 o 99.94000       2.145000      1574.001      -109.9 
1 1 1 9  6  21 o 401.0000       7.968000      2719.214      57.3   
1 1 1 9  6  22 o 318.6000       6.375000      2135.789      101.8  
1 1 1 9  6  23 o 103.8000       2.277000      1660.390      -162.3 
1 1 1 9  6  24 o 217.3000       4.435000      2471.719      -161.5 
1 1 1 9  6  25 o 13.89000       0.8964000     642.2499      171.7  
1 1 1 9  6  26 o 203.3000       4.199000      1775.391      42.4   
1 1 1 9  6  27 o 106.4000       2.419000      1325.683      110.5  
1 1 1 9  6  28 o 222.3000       4.604000      2046.631      -117.7 
1 1 1 9  6  29 o 217.3000       5.797000      2245.562      37.8   
1 1 1 9  6  30 o 68.83000       2.607000      1059.649      158.2  
1 1 1 9  6  31 o 11.56000       1.603000      514.2646      -35.5  
1 1 1 9  6  32 o 3.089000       1.593000      511.5533      -140.8 
1 1 1 9  6  34 o 59.84000       1.956000      1067.721      179.3  
1 1 1 9  6  35 o 49.26000       2.174000      971.3989      -13.2  
1 1 1 9  6  36 o 66.24000       2.490000      1277.041      -77.1  
1 1 1 9  6  37 o 37.87000       1.550000      839.4509      166.1  
1 1 1 9  6  38 o 116.2000       2.695000      1503.095      -126.7 
1 1 1 9  6  39 o 11.32000       1.107000      796.6143      -78.2  
1 1 1 9  6  40 o 67.84000       1.847000      1097.691      -51.2  
1 1 1 9  6  41 o 8.169000       1.073000      286.6262      3.4    
1 1 1 9  6  42 o 58.97000       1.708000      1148.564      156.3  
1 1 1 9  6  43 o 70.61000       1.899000      1232.943      -10.0  
1 1 1 9  6  44 o 5.651000       1.050000      325.1632      -74.3  
1 1 1 9  6  45 o 43.39000       1.489000      1058.753      -14.5  
1 1 1 9  6  46 o 1.332000       1.104000      178.8680      -141.5 
1 1 1 9  6  47 o 2.501000       1.352000      147.2075      54.0   
1 1 1 9  6  48 o 29.22000       1.542000      680.4279      69.4   
1 1 1 9  6  49 o 0.8964000      1.119000      39.20203      133.5  
1 1 1 9  6  50 o 48.71000       1.674000      1076.069      -109.1 
1 1 1 9  6  51 o 24.19000       1.360000      770.6232      6.1    
1 1 1 9  6  52 o 22.55000       1.502000      604.7113      -45.6  
1 1 1 9  6  53 o 22.90000       1.894000      690.9230      -10.6  
1 1 1 9  6  54 o 1.583000       1.375000      119.7236      -161.9 
1 1 1 9  6  55 o 54.15000       1.886000      1070.179      13.7   
1 1 1 9  6  56 f 24.54000       1.516000      782.5676      144.3  
1 1 1 9  6  57 o 17.71000       1.570000      614.0038      3.0    
1 1 1 9  6  58 o 11.08000       1.528000      481.7844      108.9  
1 1 1 9  6  59 o 0.8721000      1.387000      131.4026      130.9  
1 1 1 9  6  60 o 4.624000       1.780000      252.9081      -164.4 
1 1 1 9  6  61 o 3.855000       1.766000      ?             ?      
1 1 1 9  6  62 o 2.078000       1.602000      ?             ?      
1 1 1 9  6  63 o 4.185000       1.896000      ?             ?      
1 1 1 9  6  64 o 1.291000       1.473000      ?             ?      
1 1 1 9  6  65 o 2.912000       1.377000      ?             ?      
1 1 1 9  6  66 o 6.324000       1.416000      ?             ?      
1 1 1 9  6  67 o 17.97000       1.675000      ?             ?      
1 1 1 9  6  68 o 1.814000       1.721000      ?             ?      
1 1 1 9  6  69 o 7.608000       1.536000      ?             ?      
1 1 1 9  6  70 o -0.2866000     1.370000      ?             ?      
1 1 1 9  6  71 o 0.7398000      1.369000      ?             ?      
1 1 1 9  6  72 o 5.255000       1.402000      ?             ?      
1 1 1 9  6  73 o 2.497000       1.407000      ?             ?      
1 1 1 9  6  74 o 0.1261000      1.411000      ?             ?      
1 1 1 9  6  75 o 5.373000       1.672000      ?             ?      
1 1 1 9  7  0  o 1.789000       0.2794000     646.5734      -90.0  
1 1 1 9  7  1  o 49.98000       0.9017000     836.3610      -94.8  
1 1 1 9  7  2  o 108.6000       1.956000      1449.721      105.2  
1 1 1 9  7  3  o 159.7000       2.899000      1664.723      -133.9 
1 1 1 9  7  4  o 66.20000       1.303000      551.7101      -56.7  
1 1 1 9  7  5  o 154.1000       2.745000      1432.193      -60.9  
1 1 1 9  7  6  o 3.307000       0.2483000     279.8805      17.4   
1 1 1 9  7  7  o 92.93000       2.358000      1137.767      99.1   
1 1 1 9  7  8  o 63.31000       1.830000      1035.099      59.5   
1 1 1 9  7  9  o 10.09000       0.4332000     209.8601      125.4  
1 1 1 9  7  10 o 180.5000       4.145000      1900.607      -158.2 
1 1 1 9  7  11 o 50.93000       1.114000      798.5341      170.3  
1 1 1 9  7  12 o 58.15000       1.264000      1091.723      80.1   
1 1 1 9  7  13 o 26.55000       0.7785000     1195.055      160.5  
1 1 1 9  7  14 o 28.85000       0.9004000     797.3410      -11.7  
1 1 1 9  7  15 o 141.2000       3.702000      973.2656      42.4   
1 1 1 9  7  16 o 9.042000       0.7446000     150.4636      132.5  
1 1 1 9  7  17 o 7.796000       0.6156000     191.4454      136.0  
1 1 1 9  7  18 o 144.5000       3.212000      1846.438      -42.9  
1 1 1 9  7  19 f 34.69000       1.143000      851.4549      -14.4  
1 1 1 9  7  20 o 21.20000       0.7914000     691.3871      151.7  
1 1 1 9  7  21 o 89.50000       1.977000      1498.460      -2.6   
1 1 1 9  7  22 o 173.0000       3.574000      1934.635      148.1  
1 1 1 9  7  23 o 203.4000       4.165000      1963.449      28.6   
1 1 1 9  7  24 o 19.01000       0.9134000     755.0770      -25.6  
1 1 1 9  7  25 o 552.9000       10.96000      3223.955      -106.5 
1 1 1 9  7  26 o 89.91000       2.276000      1242.640      -105.3 
1 1 1 9  7  27 o 153.9000       3.556000      2206.175      66.3   
1 1 1 9  7  28 o 289.2000       5.910000      2222.440      -61.2  
1 1 1 9  7  29 o 196.6000       6.792000      2110.534      -57.5  
1 1 1 9  7  30 o 17.52000       2.329000      357.1028      63.1   
1 1 1 9  7  31 o 34.46000       1.460000      467.9566      -108.2 
1 1 1 9  7  32 o 15.96000       1.377000      530.6034      123.9  
1 1 1 9  7  33 o 137.0000       3.363000      1746.502      131.8  
1 1 1 9  7  34 o 292.0000       5.994000      2478.302      123.3  
1 1 1 9  7  35 o 235.6000       5.313000      2209.462      125.2  
1 1 1 9  7  36 o 78.89000       2.698000      1453.915      -9.1   
1 1 1 9  7  37 o 52.87000       2.172000      1066.984      3.7    
1 1 1 9  7  38 o 87.13000       2.358000      1252.418      -111.8 
1 1 1 9  7  39 o 55.23000       1.760000      1082.939      42.2   
1 1 1 9  7  40 o 10.30000       1.081000      189.1730      -37.1  
1 1 1 9  7  41 o 25.23000       1.223000      660.4025      -141.6 
1 1 1 9  7  42 o 88.48000       2.196000      1161.971      43.0   
1 1 1 9  7  43 o 20.99000       1.187000      514.7064      21.1   
1 1 1 9  7  44 o 25.45000       1.235000      865.8341      159.6  
1 1 1 9  7  45 o 18.90000       1.187000      557.1466      34.2   
1 1 1 9  7  46 o 3.365000       1.184000      301.1001      120.5  
1 1 1 9  7  47 o 4.566000       1.364000      275.0331      -56.0  
1 1 1 9  7  48 o 21.24000       1.347000      563.3371      -23.7  
1 1 1 9  7  49 o 77.36000       2.117000      1313.625      12.9   
1 1 1 9  7  50 o 20.06000       1.291000      767.4332      -1.9   
1 1 1 9  7  51 o 7.019000       1.209000      355.2575      -14.5  
1 1 1 9  7  52 o 10.01000       1.368000      506.5515      97.8   
1 1 1 9  7  53 o 4.329000       1.723000      362.8669      180.0  
1 1 1 9  7  54 o 8.461000       1.790000      497.4958      -24.3  
1 1 1 9  7  55 o 8.792000       1.374000      487.0280      132.6  
1 1 1 9  7  56 o 26.71000       1.561000      820.8055      147.6  
1 1 1 9  7  57 o 9.707000       1.417000      393.6324      -20.2  
1 1 1 9  7  58 o 8.343000       1.418000      396.7690      61.5   
1 1 1 9  7  59 o 4.360000       1.396000      165.4751      -174.6 
1 1 1 9  7  60 o 33.77000       1.797000      842.6345      110.7  
1 1 1 9  7  61 o 19.77000       1.799000      ?             ?      
1 1 1 9  7  62 o 2.342000       1.779000      ?             ?      
1 1 1 9  7  63 o 6.196000       1.791000      ?             ?      
1 1 1 9  7  64 o 2.275000       1.494000      ?             ?      
1 1 1 9  7  65 o 2.779000       1.477000      ?             ?      
1 1 1 9  7  66 o 0.5742000      1.461000      ?             ?      
1 1 1 9  7  67 o 7.775000       1.543000      ?             ?      
1 1 1 9  7  68 o 3.433000       1.818000      ?             ?      
1 1 1 9  7  69 o 1.816000       1.592000      ?             ?      
1 1 1 9  7  70 o -0.4397000     1.364000      ?             ?      
1 1 1 9  7  71 o 2.029000       1.380000      ?             ?      
1 1 1 9  7  72 o 2.773000       1.399000      ?             ?      
1 1 1 9  7  73 o 0.6724000      1.405000      ?             ?      
1 1 1 9  7  75 o 6.404000       1.704000      ?             ?      
1 1 1 9  8  0  o 113.0000       2.866000      1357.688      -90.0  
1 1 1 9  8  1  o 185.9000       3.152000      1189.719      -167.3 
1 1 1 9  8  2  o 168.8000       2.999000      1948.962      -16.8  
1 1 1 9  8  3  o 7.628000       0.3092000     916.9713      164.4  
1 1 1 9  8  4  o 4.952000       0.2804000     600.2392      -61.6  
1 1 1 9  8  5  o 295.5000       5.312000      2564.680      18.7   
1 1 1 9  8  6  o 57.50000       1.478000      582.7313      -39.5  
1 1 1 9  8  7  o 52.05000       1.111000      1296.096      -136.6 
1 1 1 9  8  8  o 97.49000       2.537000      1706.200      -37.9  
1 1 1 9  8  9  o 4.395000       0.3375000     218.9205      -131.4 
1 1 1 9  8  10 o 172.4000       3.554000      1886.022      -164.8 
1 1 1 9  8  11 o 115.6000       2.347000      1612.462      17.9   
1 1 1 9  8  12 o 236.3000       4.697000      2331.104      31.5   
1 1 1 9  8  13 o 116.8000       2.584000      1293.283      -111.3 
1 1 1 9  8  14 o 161.1000       3.520000      1039.507      142.1  
1 1 1 9  8  15 o 19.03000       0.8715000     625.6855      -19.6  
1 1 1 9  8  16 o 20.70000       0.8889000     498.9053      -9.2   
1 1 1 9  8  17 o 346.0000       7.934000      2489.307      0.6    
1 1 1 9  8  18 o 20.67000       0.8158000     885.1598      97.8   
1 1 1 9  8  19 o 104.0000       2.212000      1423.076      -69.9  
1 1 1 9  8  20 o 159.9000       3.290000      1827.796      -131.6 
1 1 1 9  8  21 o 899.6000       17.70000      4257.890      94.1   
1 1 1 9  8  22 o 456.1000       9.053000      2655.535      -172.3 
1 1 1 9  8  23 o 110.4000       2.599000      1095.588      -81.0  
1 1 1 9  8  24 o 40.01000       1.310000      824.2847      14.9   
1 1 1 9  8  25 o 120.4000       2.633000      1787.737      -137.0 
1 1 1 9  8  26 o 286.6000       6.280000      2622.218      133.5  
1 1 1 9  8  27 o 55.02000       1.967000      1347.181      -8.1   
1 1 1 9  8  28 o 635.2000       16.19000      2909.733      -177.1 
1 1 1 9  8  29 o 337.8000       9.628000      2508.416      92.9   
1 1 1 9  8  30 o 41.28000       1.888000      764.0379      95.9   
1 1 1 9  8  31 f 71.37000       1.972000      1004.653      166.9  
1 1 1 9  8  32 o 1111.000       21.90000      ?             ?      
1 1 1 9  8  33 o 207.8000       4.397000      2254.431      -151.6 
1 1 1 9  8  34 o 389.9000       7.867000      2643.809      139.0  
1 1 1 9  8  35 o 20.45000       1.430000      695.8257      -46.8  
1 1 1 9  8  36 o 30.57000       1.809000      770.0202      -153.2 
1 1 1 9  8  37 o 24.41000       1.709000      816.8183      173.0  
1 1 1 9  8  38 o 154.8000       3.658000      1650.438      -150.8 
1 1 1 9  8  39 o 16.32000       1.145000      669.1608      -40.3  
1 1 1 9  8  40 o 5.910000       1.053000      286.2967      112.4  
1 1 1 9  8  41 o 23.79000       1.211000      612.7780      46.7   
1 1 1 9  8  42 o 35.91000       1.360000      871.1196      51.9   
1 1 1 9  8  43 o 25.02000       1.220000      735.6935      -74.7  
1 1 1 9  8  44 o 74.14000       1.974000      1181.779      168.8  
1 1 1 9  8  46 o 1.837000       1.310000      276.9177      -38.5  
1 1 1 9  8  47 o 10.08000       1.268000      537.1249      105.1  
1 1 1 9  8  48 o 21.95000       1.433000      704.1970      98.9   
1 1 1 9  8  49 o 12.43000       1.200000      496.3196      6.7    
1 1 1 9  8  50 f 4.044000       1.158000      388.8774      154.2  
1 1 1 9  8  51 o 7.065000       1.205000      528.8992      -0.2   
1 1 1 9  8  52 o 10.45000       1.279000      474.0197      -127.8 
1 1 1 9  8  53 o 41.15000       1.962000      986.6074      83.0   
1 1 1 9  8  54 o 4.270000       1.779000      295.2315      -59.2  
1 1 1 9  8  55 o 25.21000       1.647000      760.9565      31.9   
1 1 1 9  8  56 o 39.50000       1.727000      886.5297      117.6  
1 1 1 9  8  57 o 4.621000       1.370000      399.0509      -35.1  
1 1 1 9  8  58 o 34.85000       1.692000      917.5291      53.2   
1 1 1 9  8  59 o 23.09000       1.580000      696.5931      -45.7  
1 1 1 9  8  60 o -0.1062000     1.375000      86.21311      -151.6 
1 1 1 9  8  61 o 17.96000       1.739000      ?             ?      
1 1 1 9  8  62 o 20.55000       1.950000      ?             ?      
1 1 1 9  8  63 o 4.153000       1.453000      ?             ?      
1 1 1 9  8  64 o 0.7767000E-01  1.473000      ?             ?      
1 1 1 9  8  65 o 0.3073000      1.628000      ?             ?      
1 1 1 9  8  66 o 5.346000       1.492000      ?             ?      
1 1 1 9  8  67 o 5.358000       1.500000      ?             ?      
1 1 1 9  8  69 o 0.8388000      1.825000      ?             ?      
1 1 1 9  8  70 o 2.009000       1.484000      ?             ?      
1 1 1 9  8  71 o 0.8418000      1.377000      ?             ?      
1 1 1 9  8  72 o 3.114000       1.401000      ?             ?      
1 1 1 9  8  73 o 2.400000       1.413000      ?             ?      
1 1 1 9  8  74 o 1.138000       1.508000      ?             ?      
1 1 1 9  9  0  o 111.9000       3.155000      931.0106      -90.0  
1 1 1 9  9  1  o 27.11000       0.5936000     587.0504      83.4   
1 1 1 9  9  2  o 285.5000       5.374000      2350.669      -58.0  
1 1 1 9  9  3  o 198.3000       3.757000      1961.728      17.9   
1 1 1 9  9  4  o 213.5000       4.045000      1685.123      -35.1  
1 1 1 9  9  5  o 1.365000       0.3171000     797.0474      -69.8  
1 1 1 9  9  6  o 56.30000       1.195000      835.2677      -75.3  
1 1 1 9  9  7  o 26.70000       0.7693000     1168.962      -96.4  
1 1 1 9  9  8  o 11.89000       0.5953000     440.2827      -19.3  
1 1 1 9  9  9  o 50.80000       1.189000      1581.787      160.9  
1 1 1 9  9  10 o 149.5000       2.845000      1331.161      144.8  
1 1 1 9  9  11 o 19.24000       0.5679000     572.3978      5.5    
1 1 1 9  9  12 o 93.59000       1.935000      1414.376      109.9  
1 1 1 9  9  13 o 163.3000       3.570000      1531.084      -172.5 
1 1 1 9  9  14 o 40.23000       1.071000      1302.482      -109.4 
1 1 1 9  9  15 o 31.61000       0.9913000     614.8328      70.3   
1 1 1 9  9  16 o 104.3000       2.707000      2002.093      42.9   
1 1 1 9  9  17 o 57.44000       1.751000      1087.273      71.2   
1 1 1 9  9  18 o 255.3000       5.527000      2637.052      -59.6  
1 1 1 9  9  19 o 54.69000       1.434000      1135.513      141.0  
1 1 1 9  9  20 f 146.8000       3.041000      1886.382      140.2  
1 1 1 9  9  21 o 702.6000       14.94000      3479.702      -18.3  
1 1 1 9  9  22 o 60.94000       1.628000      1283.596      151.1  
1 1 1 9  9  23 o 59.71000       1.497000      1252.339      -115.7 
1 1 1 9  9  24 o 128.2000       3.434000      1822.708      -93.3  
1 1 1 9  9  25 o 273.4000       6.814000      2360.557      -47.9  
1 1 1 9  9  26 o 15.12000       0.9910000     656.3328      157.3  
1 1 1 9  9  27 o 283.3000       6.266000      2299.255      -53.2  
1 1 1 9  9  28 o 523.5000       13.48000      3370.217      -46.6  
1 1 1 9  9  29 o 169.8000       4.217000      1460.780      -156.0 
1 1 1 9  9  30 o 47.91000       1.693000      994.9271      -150.4 
1 1 1 9  9  31 o 252.8000       5.227000      2356.714      -18.1  
1 1 1 9  9  32 o 122.4000       3.080000      1314.296      -46.9  
1 1 1 9  9  33 o 219.6000       4.600000      2524.968      103.1  
1 1 1 9  9  34 o 159.7000       3.475000      1428.338      -162.2 
1 1 1 9  9  35 o 90.82000       2.238000      1417.287      3.0    
1 1 1 9  9  36 o 110.6000       2.792000      1502.859      -52.9  
1 1 1 9  9  37 o 93.16000       2.844000      1202.949      -79.9  
1 1 1 9  9  38 o 124.6000       3.327000      1390.068      -25.6  
1 1 1 9  9  39 o 40.05000       1.537000      927.2374      147.1  
1 1 1 9  9  40 o 88.96000       2.205000      1265.763      27.3   
1 1 1 9  9  41 o 39.28000       1.419000      694.5229      -175.5 
1 1 1 9  9  42 o 12.25000       1.092000      493.7083      -53.9  
1 1 1 9  9  43 o 6.402000       1.046000      268.1183      -148.7 
1 1 1 9  9  45 o 13.53000       1.265000      367.8800      107.4  
1 1 1 9  9  46 o 13.24000       1.470000      632.1469      -176.2 
1 1 1 9  9  47 o 23.24000       1.425000      670.9114      145.2  
1 1 1 9  9  48 o 85.06000       2.219000      1368.062      0.8    
1 1 1 9  9  49 o 3.608000       1.132000      198.4797      -6.4   
1 1 1 9  9  50 o 9.762000       1.190000      500.1619      68.0   
1 1 1 9  9  51 o 23.69000       1.363000      630.1157      94.2   
1 1 1 9  9  52 o 97.87000       2.521000      ?             ?      
1 1 1 9  9  53 o 7.893000       1.406000      498.7870      11.7   
1 1 1 9  9  54 o 23.61000       2.010000      754.3804      128.1  
1 1 1 9  9  56 o 37.73000       1.883000      815.2924      119.0  
1 1 1 9  9  57 o 11.81000       1.434000      524.7595      29.8   
1 1 1 9  9  58 o 36.05000       1.727000      972.5605      129.9  
1 1 1 9  9  59 o 24.79000       1.594000      808.2916      125.5  
1 1 1 9  9  60 o 14.73000       1.577000      712.4804      101.9  
1 1 1 9  9  62 o 21.96000       1.771000      ?             ?      
1 1 1 9  9  63 o 8.259000       1.402000      ?             ?      
1 1 1 9  9  64 o 0.3090000      1.443000      ?             ?      
1 1 1 9  9  65 o 6.472000       1.479000      ?             ?      
1 1 1 9  9  66 o 4.503000       1.391000      ?             ?      
1 1 1 9  9  67 o 7.982000       1.676000      ?             ?      
1 1 1 9  9  68 o 1.976000       1.689000      ?             ?      
1 1 1 9  9  69 o 0.4822000      1.726000      ?             ?      
1 1 1 9  9  70 o 2.539000       1.777000      ?             ?      
1 1 1 9  9  71 o -0.6497000     1.380000      ?             ?      
1 1 1 9  9  72 o 3.481000       1.410000      ?             ?      
1 1 1 9  9  73 o -0.4697000     1.406000      ?             ?      
1 1 1 9  9  74 o 0.7709000      1.631000      ?             ?      
1 1 1 9  10 0  f 22.63000       0.7524000     222.2971      90.0   
1 1 1 9  10 1  o 45.52000       0.9557000     1255.253      92.5   
1 1 1 9  10 2  o 145.0000       2.591000      1621.337      87.5   
1 1 1 9  10 3  o 265.5000       4.981000      1797.542      32.8   
1 1 1 9  10 4  o 134.3000       2.554000      1677.329      -39.0  
1 1 1 9  10 5  o 133.2000       2.625000      1020.971      -1.3   
1 1 1 9  10 6  o 3.369000       0.3686000     238.9453      58.2   
1 1 1 9  10 7  o 41.12000       1.293000      720.0557      -102.3 
1 1 1 9  10 8  o 56.42000       1.304000      770.9783      69.9   
1 1 1 9  10 9  o 61.06000       1.332000      905.1725      -141.8 
1 1 1 9  10 10 o 33.47000       0.8162000     997.8298      30.4   
1 1 1 9  10 11 o 47.82000       1.067000      763.1763      -112.1 
1 1 1 9  10 12 o 265.7000       5.271000      2288.699      -16.0  
1 1 1 9  10 13 o 343.0000       6.789000      2496.667      -145.3 
1 1 1 9  10 14 o 524.9000       11.19000      2609.610      176.6  
1 1 1 9  10 15 o 112.9000       2.717000      1445.558      -123.8 
1 1 1 9  10 16 o 257.4000       5.944000      2221.505      13.9   
1 1 1 9  10 17 o 39.14000       1.292000      990.9060      178.4  
1 1 1 9  10 18 f 123.1000       2.985000      1241.395      -52.2  
1 1 1 9  10 19 o 145.1000       3.243000      1562.545      69.3   
1 1 1 9  10 20 o 70.20000       1.766000      960.5856      -45.4  
1 1 1 9  10 21 o 352.0000       7.591000      2966.375      -175.5 
1 1 1 9  10 22 o 40.64000       1.471000      889.7351      -89.9  
1 1 1 9  10 23 o 56.23000       1.565000      1517.910      83.3   
1 1 1 9  10 24 o 1.030000       0.8067000     447.0497      -8.1   
1 1 1 9  10 25 o 250.1000       5.504000      1535.347      86.3   
1 1 1 9  10 26 o 43.64000       1.377000      952.5380      141.6  
1 1 1 9  10 27 o 237.1000       5.613000      1507.856      -23.8  
1 1 1 9  10 28 o 120.2000       3.728000      1443.474      -172.2 
1 1 1 9  10 29 o 12.08000       1.346000      859.2501      32.8   
1 1 1 9  10 30 o 700.7000       13.88000      3841.291      -32.2  
1 1 1 9  10 31 o 26.74000       1.328000      847.7943      -106.8 
1 1 1 9  10 33 o 73.44000       1.947000      1336.194      13.1   
1 1 1 9  10 34 o 84.36000       2.116000      1167.905      128.6  
1 1 1 9  10 35 o 112.3000       2.603000      1543.633      -172.9 
1 1 1 9  10 36 o 92.98000       2.456000      1215.441      120.1  
1 1 1 9  10 37 o 87.29000       2.877000      1566.766      77.4   
1 1 1 9  10 38 o 34.50000       1.871000      839.6293      -160.1 
1 1 1 9  10 39 o 79.70000       2.222000      1210.736      75.3   
1 1 1 9  10 40 o 85.10000       2.142000      1485.599      -41.2  
1 1 1 9  10 41 o 125.1000       2.851000      1496.439      100.5  
1 1 1 9  10 42 o 6.441000       1.039000      407.5533      78.2   
1 1 1 9  10 43 o 46.07000       1.509000      962.9921      164.0  
1 1 1 9  10 44 o 15.49000       1.150000      697.2996      -98.7  
1 1 1 9  10 45 o 99.61000       2.783000      1292.364      -17.2  
1 1 1 9  10 46 o 145.3000       3.754000      ?             ?      
1 1 1 9  10 47 o 7.632000       1.130000      436.1778      124.7  
1 1 1 9  10 48 o 13.48000       1.187000      524.8707      -81.6  
1 1 1 9  10 49 o 15.28000       1.221000      565.3172      75.0   
1 1 1 9  10 50 o 10.59000       1.205000      448.7923      -58.6  
1 1 1 9  10 51 o 25.35000       1.388000      720.8553      117.6  
1 1 1 9  10 52 o 11.35000       1.301000      560.0048      155.8  
1 1 1 9  10 53 o 8.115000       1.404000      299.7488      -82.1  
1 1 1 9  10 54 o 4.876000       1.818000      151.1447      151.9  
1 1 1 9  10 55 o 43.29000       2.383000      863.0311      161.0  
1 1 1 9  10 56 o 6.323000       1.476000      258.4971      67.4   
1 1 1 9  10 57 o 44.94000       1.830000      951.4636      -112.4 
1 1 1 9  10 58 o 22.29000       1.551000      864.9560      54.3   
1 1 1 9  10 59 o 9.588000       1.434000      533.3245      -93.6  
1 1 1 9  10 60 o 18.13000       1.718000      ?             ?      
1 1 1 9  10 61 o 0.5912000      1.783000      ?             ?      
1 1 1 9  10 62 o 18.12000       1.616000      ?             ?      
1 1 1 9  10 63 o 3.080000       1.369000      ?             ?      
1 1 1 9  10 64 o 8.499000       1.394000      ?             ?      
1 1 1 9  10 65 o 8.012000       1.400000      ?             ?      
1 1 1 9  10 66 o 5.521000       1.395000      ?             ?      
1 1 1 9  10 67 o 3.198000       1.443000      ?             ?      
1 1 1 9  10 68 o 0.6112000      1.473000      ?             ?      
1 1 1 9  10 69 o 10.06000       2.509000      ?             ?      
1 1 1 9  10 70 o 8.574000       2.471000      ?             ?      
1 1 1 9  10 71 o 2.650000       1.722000      ?             ?      
1 1 1 9  10 72 o 6.421000       1.536000      ?             ?      
1 1 1 9  10 74 o 0.4605000      1.811000      ?             ?      
1 1 1 9  11 0  o 13.35000       0.5182000     384.6435      90.0   
1 1 1 9  11 1  o 112.8000       2.146000      1093.944      -109.4 
1 1 1 9  11 2  o 466.1000       8.200000      2895.882      -44.8  
1 1 1 9  11 3  o 88.06000       1.612000      1184.562      2.6    
1 1 1 9  11 4  o 40.64000       0.9206000     806.7044      149.9  
1 1 1 9  11 5  o 15.11000       0.4985000     276.3924      -126.1 
1 1 1 9  11 6  o 149.5000       3.253000      1176.638      -44.7  
1 1 1 9  11 7  o 59.31000       1.802000      1278.382      154.3  
1 1 1 9  11 8  o 34.66000       0.7948000     759.5861      -140.3 
1 1 1 9  11 9  o 11.01000       0.5642000     605.7756      -24.0  
1 1 1 9  11 10 o 20.16000       0.5593000     549.2046      14.2   
1 1 1 9  11 11 o 156.2000       2.979000      1653.144      91.8   
1 1 1 9  11 12 o 83.43000       1.759000      920.2303      65.5   
1 1 1 9  11 13 o 104.8000       2.172000      1274.727      -122.1 
1 1 1 9  11 14 o 19.11000       0.7013000     782.0989      -84.4  
1 1 1 9  11 15 o 175.7000       3.843000      1788.183      9.3    
1 1 1 9  11 16 o 129.6000       3.500000      1635.130      -91.3  
1 1 1 9  11 17 o 665.4000       15.98000      3994.204      83.3   
1 1 1 9  11 18 o 20.67000       0.9408000     780.5933      22.8   
1 1 1 9  11 19 o 194.1000       5.107000      1970.607      131.8  
1 1 1 9  11 20 o 164.7000       4.427000      1999.102      -167.4 
1 1 1 9  11 21 o 149.7000       3.130000      1880.341      -45.7  
1 1 1 9  11 22 o 296.9000       6.466000      2842.139      -160.2 
1 1 1 9  11 23 o 156.8000       3.559000      2036.590      155.6  
1 1 1 9  11 24 o 36.81000       1.301000      606.3748      113.8  
1 1 1 9  11 25 o 189.3000       3.933000      1911.622      26.5   
1 1 1 9  11 26 o 566.3000       11.24000      2830.647      155.2  
1 1 1 9  11 27 o 325.6000       7.584000      2544.458      -5.0   
1 1 1 9  11 28 o 500.6000       11.54000      2728.499      143.0  
1 1 1 9  11 29 o 18.06000       1.195000      807.9542      -160.5 
1 1 1 9  11 30 o 79.14000       2.048000      1058.463      -82.7  
1 1 1 9  11 31 o 104.1000       2.483000      2066.348      25.4   
1 1 1 9  11 32 o 39.95000       1.438000      475.7334      77.1   
1 1 1 9  11 33 o 37.80000       1.402000      609.8680      -37.1  
1 1 1 9  11 34 o 25.47000       1.236000      926.7211      43.1   
1 1 1 9  11 35 o 23.34000       1.220000      635.4660      -128.6 
1 1 1 9  11 36 o 308.3000       6.295000      2285.036      -104.6 
1 1 1 9  11 37 o 150.7000       3.603000      1522.200      -61.5  
1 1 1 9  11 38 o 260.5000       6.658000      ?             ?      
1 1 1 9  11 39 o 102.3000       2.860000      1534.790      -26.1  
1 1 1 9  11 40 o 47.58000       1.668000      953.6473      -85.3  
1 1 1 9  11 41 o 15.21000       1.123000      613.5347      19.2   
1 1 1 9  11 42 o 36.06000       1.362000      961.4146      -75.3  
1 1 1 9  11 43 o 30.68000       1.308000      731.4926      47.5   
1 1 1 9  11 44 o 72.99000       2.226000      1266.273      -15.7  
1 1 1 9  11 45 o 33.26000       1.791000      900.4329      -35.0  
1 1 1 9  11 46 o 8.088000       1.269000      421.8153      63.5   
1 1 1 9  11 47 o 53.55000       1.696000      1252.953      -9.2   
1 1 1 9  11 48 o 30.81000       1.390000      798.4037      75.7   
1 1 1 9  11 49 o 19.76000       1.276000      787.3572      63.4   
1 1 1 9  11 50 o 13.43000       1.240000      390.9923      100.3  
1 1 1 9  11 51 o 14.28000       1.337000      409.1602      144.1  
1 1 1 9  11 53 o 19.36000       1.398000      648.4513      44.7   
1 1 1 9  11 54 o 9.332000       1.466000      501.0226      -142.0 
1 1 1 9  11 55 o 38.51000       2.205000      892.5021      97.8   
1 1 1 9  11 56 o 25.37000       1.692000      804.2292      -15.7  
1 1 1 9  11 57 o 11.20000       1.437000      519.1970      167.4  
1 1 1 9  11 58 o 13.39000       1.459000      497.8510      146.2  
1 1 1 9  11 59 o 3.188000       1.457000      386.4270      153.5  
1 1 1 9  11 60 o 32.72000       2.149000      ?             ?      
1 1 1 9  11 61 o 1.349000       1.622000      ?             ?      
1 1 1 9  11 62 o 16.40000       1.500000      ?             ?      
1 1 1 9  11 63 o 9.499000       1.402000      ?             ?      
1 1 1 9  11 64 o 3.416000       1.361000      ?             ?      
1 1 1 9  11 65 o 5.144000       1.370000      ?             ?      
1 1 1 9  11 66 o 5.033000       1.376000      ?             ?      
1 1 1 9  11 67 o 4.726000       1.345000      ?             ?      
1 1 1 9  11 68 o 0.5045000      1.345000      ?             ?      
1 1 1 9  11 69 o 11.09000       1.677000      ?             ?      
1 1 1 9  11 70 o 3.938000       2.332000      ?             ?      
1 1 1 9  11 71 o 5.503000       1.771000      ?             ?      
1 1 1 9  11 72 o 2.487000       1.700000      ?             ?      
1 1 1 9  11 73 o 0.5547000      1.767000      ?             ?      
1 1 1 9  11 74 o 3.142000       1.981000      ?             ?      
1 1 1 9  11 75 o 1.771000       2.063000      ?             ?      
1 1 1 9  12 0  o 180.9000       4.558000      1424.121      90.0   
1 1 1 9  12 1  o 8.339000       0.3188000     578.6754      60.5   
1 1 1 9  12 2  o 167.0000       3.148000      1569.019      110.8  
1 1 1 9  12 3  o 108.0000       1.962000      1351.152      44.5   
1 1 1 9  12 4  o 185.8000       3.516000      1809.466      40.7   
1 1 1 9  12 5  o 186.8000       4.294000      1449.636      64.6   
1 1 1 9  12 6  o 15.36000       0.5134000     120.0728      74.7   
1 1 1 9  12 7  o 39.15000       1.056000      1127.810      -83.2  
1 1 1 9  12 8  o 41.45000       0.9910000     783.6187      -161.6 
1 1 1 9  12 9  o 58.36000       1.367000      1175.623      59.5   
1 1 1 9  12 10 o 184.2000       3.689000      1522.577      169.7  
1 1 1 9  12 11 o 288.4000       5.423000      2533.067      -127.7 
1 1 1 9  12 12 o 15.03000       0.5631000     642.7032      -90.6  
1 1 1 9  12 13 o 184.8000       4.023000      1691.223      -169.7 
1 1 1 9  12 14 o 46.53000       1.425000      806.2120      -170.0 
1 1 1 9  12 15 o 598.0000       12.74000      3137.365      -145.1 
1 1 1 9  12 16 o 275.9000       7.119000      2239.454      131.9  
1 1 1 9  12 17 o 846.2000       21.41000      4040.926      -135.1 
1 1 1 9  12 18 o 107.8000       2.850000      1535.689      56.9   
1 1 1 9  12 19 o 328.1000       7.570000      2372.351      137.4  
1 1 1 9  12 20 o 524.7000       12.76000      3033.024      -72.8  
1 1 1 9  12 21 o 459.6000       9.124000      3071.753      -160.7 
1 1 1 9  12 22 o 274.5000       5.540000      2438.948      -6.3   
1 1 1 9  12 23 o 78.44000       1.855000      1417.623      176.3  
1 1 1 9  12 24 o 11.36000       0.8949000     411.8037      -168.0 
1 1 1 9  12 25 o 121.4000       2.676000      1866.453      -94.1  
1 1 1 9  12 26 o 211.4000       5.042000      2065.539      -110.6 
1 1 1 9  12 27 o 19.96000       1.442000      422.6718      -88.5  
1 1 1 9  12 28 o 25.35000       1.392000      744.7883      31.4   
1 1 1 9  12 29 o 156.5000       3.404000      1727.243      -53.8  
1 1 1 9  12 30 o 22.55000       1.269000      612.1690      -119.8 
1 1 1 9  12 31 o 71.99000       1.902000      1138.047      -175.7 
1 1 1 9  12 32 o 72.71000       1.907000      1094.042      42.7   
1 1 1 9  12 33 o 118.0000       2.703000      1707.380      -71.1  
1 1 1 9  12 34 o 49.65000       1.556000      1071.190      107.5  
1 1 1 9  12 35 o 13.10000       1.111000      342.0912      -6.0   
1 1 1 9  12 36 o 121.5000       2.770000      1708.624      40.0   
1 1 1 9  12 37 o 28.82000       1.379000      760.8626      87.8   
1 1 1 9  12 38 o 22.68000       1.430000      751.1334      71.6   
1 1 1 9  12 39 o 19.16000       1.650000      660.9130      174.5  
1 1 1 9  12 40 o 118.4000       2.965000      1638.718      70.1   
1 1 1 9  12 41 o 28.42000       1.273000      680.1248      90.8   
1 1 1 9  12 42 o 12.66000       1.101000      565.2639      105.4  
1 1 1 9  12 43 o 35.03000       1.446000      822.6628      -12.8  
1 1 1 9  12 44 o 25.30000       1.407000      628.7291      -103.1 
1 1 1 9  12 45 o 21.38000       1.594000      596.7942      111.2  
1 1 1 9  12 46 o 30.60000       1.444000      631.3040      175.0  
1 1 1 9  12 47 o 23.17000       1.280000      806.1658      120.1  
1 1 1 9  12 48 o 10.69000       1.163000      437.3733      1.5    
1 1 1 9  12 49 o 80.63000       2.179000      1373.027      -156.1 
1 1 1 9  12 50 o 32.47000       1.453000      828.9473      -126.4 
1 1 1 9  12 51 o 12.91000       1.256000      475.3341      44.7   
1 1 1 9  12 52 o 10.68000       1.288000      526.1511      -100.1 
1 1 1 9  12 53 o 23.15000       1.443000      861.4020      -34.3  
1 1 1 9  12 54 o 13.15000       1.497000      385.1339      76.4   
1 1 1 9  12 55 o 19.20000       2.046000      660.4598      3.4    
1 1 1 9  12 56 o 0.4001000      1.887000      87.24340      -93.6  
1 1 1 9  12 57 o 11.12000       1.531000      413.4789      162.5  
1 1 1 9  12 58 o 2.904000       1.366000      267.4763      -29.4  
1 1 1 9  12 59 o 13.66000       1.632000      539.0145      -167.9 
1 1 1 9  12 60 o 16.56000       1.928000      ?             ?      
1 1 1 9  12 61 o 39.81000       1.934000      ?             ?      
1 1 1 9  12 62 o -1.022000      1.357000      ?             ?      
1 1 1 9  12 63 o 11.87000       1.428000      ?             ?      
1 1 1 9  12 64 o -0.7278000     1.326000      ?             ?      
1 1 1 9  12 65 o 3.190000       1.343000      ?             ?      
1 1 1 9  12 66 o -0.2352000     1.346000      ?             ?      
1 1 1 9  12 67 o 4.991000       1.366000      ?             ?      
1 1 1 9  12 68 o 0.7849000      1.334000      ?             ?      
1 1 1 9  12 69 o 9.317000       1.561000      ?             ?      
1 1 1 9  12 70 o 5.285000       1.885000      ?             ?      
1 1 1 9  12 71 o 8.277000       2.430000      ?             ?      
1 1 1 9  12 72 o 3.549000       1.650000      ?             ?      
1 1 1 9  12 73 o 3.644000       2.319000      ?             ?      
1 1 1 9  12 74 o 4.130000       1.833000      ?             ?      
1 1 1 9  12 75 o 5.047000       1.814000      ?             ?      
1 1 1 9  13 0  o 55.45000       1.511000      940.3474      -90.0  
1 1 1 9  13 1  o 41.66000       0.9756000     1089.428      -125.4 
1 1 1 9  13 2  o 81.72000       1.685000      1550.115      168.5  
1 1 1 9  13 3  o 93.18000       2.039000      1213.581      -165.9 
1 1 1 9  13 4  o 92.36000       2.346000      1285.501      115.0  
1 1 1 9  13 5  o 17.33000       0.6275000     651.3388      6.9    
1 1 1 9  13 6  o 4.884000       0.4421000     489.5022      -44.9  
1 1 1 9  13 7  o 74.12000       1.898000      1193.616      -120.2 
1 1 1 9  13 8  o 105.4000       2.161000      1308.955      7.1    
1 1 1 9  13 9  o 27.60000       0.7466000     541.9961      12.6   
1 1 1 9  13 10 o 42.68000       1.113000      845.4959      71.2   
1 1 1 9  13 11 o 2.281000       0.4687000     564.2295      27.8   
1 1 1 9  13 12 o 101.2000       2.101000      1494.043      -7.7   
1 1 1 9  13 13 o 52.77000       1.346000      1065.545      16.4   
1 1 1 9  13 14 o 44.80000       1.462000      936.7844      -103.3 
1 1 1 9  13 15 o 645.0000       14.68000      3404.319      -94.4  
1 1 1 9  13 16 o 196.0000       4.306000      1490.869      -90.9  
1 1 1 9  13 17 o 362.9000       8.344000      2880.938      87.6   
1 1 1 9  13 18 o 68.11000       2.092000      1452.895      -72.6  
1 1 1 9  13 19 o 134.4000       3.058000      1838.180      140.0  
1 1 1 9  13 20 o 173.5000       4.150000      2302.296      -100.9 
1 1 1 9  13 21 o 255.0000       5.569000      2274.544      22.7   
1 1 1 9  13 22 o 44.94000       1.264000      992.1724      -102.6 
1 1 1 9  13 23 o 72.64000       1.752000      1022.050      54.1   
1 1 1 9  13 24 o 45.10000       1.340000      1346.148      -77.9  
1 1 1 9  13 25 o 85.81000       2.064000      1357.534      -6.8   
1 1 1 9  13 26 o 267.0000       6.267000      2305.387      113.6  
1 1 1 9  13 27 o 111.1000       3.234000      1139.692      54.9   
1 1 1 9  13 28 o 10.74000       1.369000      439.7245      129.1  
1 1 1 9  13 29 o 91.47000       2.250000      1090.545      -21.0  
1 1 1 9  13 30 o 159.4000       3.473000      2001.029      103.5  
1 1 1 9  13 31 o 21.07000       1.189000      989.5292      140.8  
1 1 1 9  13 32 o 90.12000       2.205000      1202.215      100.1  
1 1 1 9  13 33 o 24.52000       1.216000      529.2349      67.8   
1 1 1 9  13 34 o 7.769000       1.068000      514.0325      82.4   
1 1 1 9  13 35 o 13.24000       1.106000      203.5360      -140.0 
1 1 1 9  13 36 o 18.22000       1.215000      496.4503      -78.8  
1 1 1 9  13 37 o 42.33000       1.566000      1088.509      -131.6 
1 1 1 9  13 38 o 30.53000       1.419000      532.1202      50.6   
1 1 1 9  13 39 o 75.64000       2.517000      1246.985      -74.6  
1 1 1 9  13 40 o 54.13000       1.947000      1074.256      164.3  
1 1 1 9  13 41 o 67.12000       2.011000      1088.853      63.6   
1 1 1 9  13 42 o 8.020000       1.073000      477.8050      167.4  
1 1 1 9  13 43 o 26.69000       1.409000      559.2567      54.0   
1 1 1 9  13 44 o 4.898000       1.386000      193.2612      73.2   
1 1 1 9  13 45 o 104.7000       2.907000      1628.098      -4.1   
1 1 1 9  13 46 o 22.04000       1.259000      552.6855      154.9  
1 1 1 9  13 47 o 3.992000       1.101000      204.2559      72.3   
1 1 1 9  13 48 o 41.08000       1.539000      826.9240      121.5  
1 1 1 9  13 49 o 42.53000       1.588000      908.5308      20.7   
1 1 1 9  13 50 o 6.682000       1.183000      345.4182      0.5    
1 1 1 9  13 51 o 10.54000       1.239000      392.5948      62.4   
1 1 1 9  13 52 o 13.27000       1.302000      638.1580      135.4  
1 1 1 9  13 53 o 68.02000       2.073000      ?             ?      
1 1 1 9  13 54 o 20.97000       1.451000      718.4017      19.3   
1 1 1 9  13 55 o 6.493000       1.495000      305.5434      -44.3  
1 1 1 9  13 56 o 13.75000       1.917000      576.2733      -151.0 
1 1 1 9  13 57 o 9.957000       1.533000      515.6771      -149.4 
1 1 1 9  13 58 o -0.5653000     1.382000      115.3271      -163.9 
1 1 1 9  13 59 o 7.140000       1.605000      472.4763      -70.1  
1 1 1 9  13 60 o 3.184000       1.589000      ?             ?      
1 1 1 9  13 61 o 1.279000       1.378000      ?             ?      
1 1 1 9  13 62 o 9.378000       1.419000      ?             ?      
1 1 1 9  13 63 o 6.483000       1.371000      ?             ?      
1 1 1 9  13 64 o 7.108000       1.368000      ?             ?      
1 1 1 9  13 65 o 5.425000       1.371000      ?             ?      
1 1 1 9  13 66 o 6.757000       1.381000      ?             ?      
1 1 1 9  13 67 o 6.892000       1.369000      ?             ?      
1 1 1 9  13 68 o 5.106000       1.369000      ?             ?      
1 1 1 9  13 69 o 1.072000       1.357000      ?             ?      
1 1 1 9  13 70 o 8.944000       1.552000      ?             ?      
1 1 1 9  13 71 o 4.163000       1.765000      ?             ?      
1 1 1 9  13 72 o 2.205000       2.843000      ?             ?      
1 1 1 9  13 73 o 5.949000       1.821000      ?             ?      
1 1 1 9  13 74 o 2.707000       1.649000      ?             ?      
1 1 1 9  14 0  o 20.94000       0.7784000     712.8427      -90.0  
1 1 1 9  14 1  o 2.403000       0.2911000     578.0964      21.7   
1 1 1 9  14 2  o 30.08000       0.7373000     692.0508      72.4   
1 1 1 9  14 3  o 46.90000       1.055000      1059.235      -19.0  
1 1 1 9  14 4  o 140.1000       3.042000      1819.577      64.5   
1 1 1 9  14 5  o 15.58000       0.6225000     808.7317      132.5  
1 1 1 9  14 6  o 83.43000       2.157000      1582.058      -66.5  
1 1 1 9  14 7  o 44.99000       1.300000      1293.801      46.9   
1 1 1 9  14 8  o 6.624000       0.4841000     817.0967      -165.1 
1 1 1 9  14 9  o 139.3000       3.484000      1653.792      121.0  
1 1 1 9  14 10 o 27.65000       0.8910000     937.3038      167.2  
1 1 1 9  14 11 o 107.5000       2.896000      1654.439      165.6  
1 1 1 9  14 12 f 67.80000       1.845000      1493.540      -123.3 
1 1 1 9  14 13 o 10.99000       0.5095000     499.4751      -23.3  
1 1 1 9  14 14 o 574.9000       11.69000      3319.796      160.0  
1 1 1 9  14 15 o 442.1000       9.452000      3038.250      -138.1 
1 1 1 9  14 16 o 18.34000       0.7771000     512.7507      128.3  
1 1 1 9  14 17 o 352.0000       8.108000      2839.544      -106.0 
1 1 1 9  14 18 o 515.0000       11.04000      3304.176      80.2   
1 1 1 9  14 19 o 288.9000       7.159000      2522.675      172.1  
1 1 1 9  14 20 o 27.13000       1.166000      515.8442      -76.8  
1 1 1 9  14 21 o 50.84000       1.476000      1197.053      -26.9  
1 1 1 9  14 22 o 79.94000       2.042000      1515.312      10.8   
1 1 1 9  14 23 o 22.06000       0.9873000     221.5425      71.8   
1 1 1 9  14 24 o 60.44000       1.607000      824.1448      147.1  
1 1 1 9  14 25 o 279.3000       6.534000      2617.402      -43.8  
1 1 1 9  14 26 o 74.52000       2.563000      837.0692      80.7   
1 1 1 9  14 27 o 178.2000       4.360000      1756.069      137.4  
1 1 1 9  14 28 o 33.49000       1.354000      431.7165      29.7   
1 1 1 9  14 29 o 63.59000       1.800000      1085.538      -168.7 
1 1 1 9  14 30 o 8.307000       1.042000      448.1339      63.5   
1 1 1 9  14 31 o 54.66000       1.620000      1026.675      -77.6  
1 1 1 9  14 32 o 11.91000       1.095000      692.4503      -14.5  
1 1 1 9  14 33 o 125.0000       2.826000      1705.136      -170.6 
1 1 1 9  14 34 o 69.29000       1.851000      1234.003      87.6   
1 1 1 9  14 35 o 20.52000       1.158000      545.2230      39.9   
1 1 1 9  14 36 o 55.82000       1.640000      1300.924      62.5   
1 1 1 9  14 37 o 54.12000       1.605000      1207.804      -104.2 
1 1 1 9  14 38 o 64.70000       1.951000      986.9803      3.2    
1 1 1 9  14 39 o 68.45000       2.206000      1401.454      146.5  
1 1 1 9  14 40 o 1.689000       1.493000      326.8079      62.6   
1 1 1 9  14 41 o 24.48000       1.352000      752.7364      56.4   
1 1 1 9  14 42 o 13.71000       1.128000      406.6962      141.4  
1 1 1 9  14 43 o 25.58000       1.414000      825.6164      -69.4  
1 1 1 9  14 44 o 44.29000       1.745000      992.0765      135.8  
1 1 1 9  14 45 o 15.02000       1.192000      635.8390      164.6  
1 1 1 9  14 46 o 59.79000       1.789000      1030.152      99.6   
1 1 1 9  14 47 o 10.48000       1.154000      381.6533      144.9  
1 1 1 9  14 48 o 39.43000       1.511000      912.4212      178.2  
1 1 1 9  14 49 o 61.22000       1.865000      1242.435      -171.0 
1 1 1 9  14 50 o 3.382000       1.158000      124.6369      16.9   
1 1 1 9  14 51 o 4.224000       1.197000      388.5988      56.9   
1 1 1 9  14 52 o 4.871000       1.251000      335.2489      102.3  
1 1 1 9  14 53 o 2.299000       1.271000      246.7193      -26.8  
1 1 1 9  14 54 o 27.93000       1.521000      752.2723      -51.1  
1 1 1 9  14 55 o 18.83000       1.598000      743.8495      18.5   
1 1 1 9  14 56 o 0.9739000      1.934000      137.6117      -126.3 
1 1 1 9  14 57 o 28.15000       2.209000      762.1723      40.1   
1 1 1 9  14 58 o 12.92000       1.815000      543.5892      -7.2   
1 1 1 9  14 59 o 4.987000       1.787000      ?             ?      
1 1 1 9  14 60 o 0.8440000      1.576000      ?             ?      
1 1 1 9  14 61 o 5.349000       1.396000      ?             ?      
1 1 1 9  14 62 o 8.917000       1.405000      ?             ?      
1 1 1 9  14 63 o 5.394000       1.359000      ?             ?      
1 1 1 9  14 64 o 7.387000       1.382000      ?             ?      
1 1 1 9  14 65 o 8.152000       1.391000      ?             ?      
1 1 1 9  14 67 o 2.482000       1.356000      ?             ?      
1 1 1 9  14 68 o -2.753000      1.330000      ?             ?      
1 1 1 9  14 69 o 1.931000       1.350000      ?             ?      
1 1 1 9  14 70 o -0.6832000     1.468000      ?             ?      
1 1 1 9  14 72 o 3.696000       2.401000      ?             ?      
1 1 1 9  14 73 o 0.3836000      1.638000      ?             ?      
1 1 1 9  14 74 o 4.632000       1.457000      ?             ?      
1 1 1 9  15 0  o 6.565000       0.5062000     305.3976      -90.0  
1 1 1 9  15 1  o 4.694000       0.3302000     297.2230      135.3  
1 1 1 9  15 2  o 26.25000       0.7457000     595.4509      167.0  
1 1 1 9  15 3  o 9.319000       0.4399000     383.7746      36.8   
1 1 1 9  15 4  o 36.64000       1.220000      1018.635      62.9   
1 1 1 9  15 5  o 5.577000       0.5001000     675.6699      -161.1 
1 1 1 9  15 6  o 1.190000       0.5605000     15.92912      119.0  
1 1 1 9  15 7  o -0.8555000     0.5478000     638.3538      -135.3 
1 1 1 9  15 8  o 24.84000       1.050000      691.2525      116.1  
1 1 1 9  15 9  o 64.23000       1.856000      1339.084      2.9    
1 1 1 9  15 10 o 66.35000       1.902000      1127.107      -129.2 
1 1 1 9  15 11 o 229.6000       4.978000      2062.896      -65.0  
1 1 1 9  15 12 o 35.26000       0.9859000     967.4172      34.4   
1 1 1 9  15 13 o 45.59000       1.136000      833.8322      149.7  
1 1 1 9  15 14 o 100.4000       2.306000      1404.809      -113.3 
1 1 1 9  15 15 o 414.6000       8.899000      2795.740      -99.4  
1 1 1 9  15 16 o 210.3000       4.607000      2355.604      17.7   
1 1 1 9  15 17 o 366.8000       8.435000      2504.743      107.3  
1 1 1 9  15 18 o 110.1000       2.754000      1184.737      59.6   
1 1 1 9  15 19 o 33.08000       1.125000      1007.462      -177.5 
1 1 1 9  15 20 o 376.4000       8.107000      2827.537      -67.3  
1 1 1 9  15 21 o 14.36000       1.043000      742.1310      43.6   
1 1 1 9  15 22 o 54.61000       1.586000      1270.103      172.1  
1 1 1 9  15 23 o 49.31000       1.403000      1041.123      -153.5 
1 1 1 9  15 24 o 67.65000       1.852000      1183.106      33.2   
1 1 1 9  15 25 o 19.61000       1.204000      520.4083      -113.7 
1 1 1 9  15 26 o 25.68000       1.464000      1206.936      10.4   
1 1 1 9  15 27 o 61.46000       1.866000      1494.401      13.1   
1 1 1 9  15 28 o 61.63000       1.759000      1111.404      146.5  
1 1 1 9  15 29 o 65.69000       1.824000      1260.042      79.9   
1 1 1 9  15 30 o 8.693000       1.041000      258.0026      -109.1 
1 1 1 9  15 31 o 289.2000       5.920000      2632.307      139.7  
1 1 1 9  15 32 o 157.7000       3.431000      1503.930      -47.9  
1 1 1 9  15 33 o 115.3000       2.657000      1438.637      -14.8  
1 1 1 9  15 34 o 51.89000       1.678000      1109.229      51.1   
1 1 1 9  15 35 o 12.90000       1.072000      700.1249      68.0   
1 1 1 9  15 36 o 15.54000       1.096000      466.9777      107.4  
1 1 1 9  15 37 o 7.026000       1.034000      476.6954      -74.1  
1 1 1 9  15 38 o 154.8000       3.688000      1931.730      3.6    
1 1 1 9  15 39 o 56.72000       1.956000      1245.547      139.7  
1 1 1 9  15 40 o 8.835000       1.472000      356.2313      111.4  
1 1 1 9  15 41 o 91.37000       2.681000      1310.863      15.5   
1 1 1 9  15 42 o 4.922000       1.311000      545.9028      163.9  
1 1 1 9  15 43 o 17.57000       1.519000      614.1103      64.1   
1 1 1 9  15 44 o 19.86000       1.372000      661.4377      155.5  
1 1 1 9  15 45 o 5.636000       1.090000      436.9105      169.5  
1 1 1 9  15 46 o 13.32000       1.167000      432.3308      -95.9  
1 1 1 9  15 47 o 26.36000       1.316000      702.2325      -153.8 
1 1 1 9  15 48 o 10.15000       1.178000      373.9347      -65.6  
1 1 1 9  15 49 o 12.59000       1.207000      488.6392      -1.1   
1 1 1 9  15 50 o 9.477000       1.194000      370.2031      -112.2 
1 1 1 9  15 51 o 0.2782000      1.183000      109.3423      174.2  
1 1 1 9  15 52 o 29.24000       1.479000      811.7936      5.6    
1 1 1 9  15 53 o 5.911000       1.282000      459.4128      14.0   
1 1 1 9  15 54 o 24.49000       1.482000      720.1569      -42.8  
1 1 1 9  15 55 o 4.092000       1.339000      191.2234      -55.0  
1 1 1 9  15 56 o 69.18000       2.397000      ?             ?      
1 1 1 9  15 57 o -1.179000      1.876000      253.2293      -122.4 
1 1 1 9  15 58 o 4.333000       1.771000      195.4469      -3.8   
1 1 1 9  15 59 o 1.357000       1.575000      ?             ?      
1 1 1 9  15 60 o 2.335000       1.373000      ?             ?      
1 1 1 9  15 61 o 6.441000       1.381000      ?             ?      
1 1 1 9  15 62 o 4.430000       1.362000      ?             ?      
1 1 1 9  15 63 o 5.709000       1.357000      ?             ?      
1 1 1 9  15 64 o 10.42000       1.403000      ?             ?      
1 1 1 9  15 65 o 6.581000       1.375000      ?             ?      
1 1 1 9  15 66 o 2.266000       1.342000      ?             ?      
1 1 1 9  15 67 o 7.363000       1.373000      ?             ?      
1 1 1 9  15 68 o -0.4388000     1.330000      ?             ?      
1 1 1 9  15 69 o -1.979000      1.333000      ?             ?      
1 1 1 9  15 70 o 0.5740000E-01  1.362000      ?             ?      
1 1 1 9  15 71 o 1.168000       1.786000      ?             ?      
1 1 1 9  15 72 o 1.905000       2.678000      ?             ?      
1 1 1 9  15 73 o 0.2974000      1.822000      ?             ?      
1 1 1 9  15 74 o 1.576000       1.419000      ?             ?      
1 1 1 9  16 0  o 5.608000       0.5301000     42.68566      -90.0  
1 1 1 9  16 1  o 13.61000       0.4935000     493.6403      -108.9 
1 1 1 9  16 2  o 40.15000       1.120000      723.6307      10.2   
1 1 1 9  16 3  o 55.43000       1.508000      1304.545      85.0   
1 1 1 9  16 4  o 4.433000       0.5010000     472.4376      173.9  
1 1 1 9  16 6  o 124.1000       3.643000      1802.377      -0.4   
1 1 1 9  16 7  o 1.993000       0.5246000     76.83246      -154.4 
1 1 1 9  16 8  o 23.38000       0.9128000     1006.560      -169.9 
1 1 1 9  16 9  o -0.2985000     0.5304000     74.39869      -83.0  
1 1 1 9  16 10 o 10.40000       0.7385000     823.7990      -52.3  
1 1 1 9  16 11 o 27.18000       0.8493000     971.0660      -121.4 
1 1 1 9  16 12 o 9.580000       0.5004000     402.7726      134.5  
1 1 1 9  16 13 o 1.807000       0.4515000     310.3326      55.7   
1 1 1 9  16 14 o 155.4000       3.420000      1875.135      161.6  
1 1 1 9  16 15 o 77.75000       1.739000      1435.152      -125.1 
1 1 1 9  16 16 o 56.35000       1.459000      1363.624      133.1  
1 1 1 9  16 17 o 1.871000       0.6501000     186.6473      -157.4 
1 1 1 9  16 18 o 53.14000       1.568000      1121.235      -176.5 
1 1 1 9  16 19 o 4.523000       0.7521000     144.3074      100.6  
1 1 1 9  16 20 o 62.15000       1.992000      988.7639      -81.8  
1 1 1 9  16 21 o 21.25000       1.168000      830.4334      32.2   
1 1 1 9  16 22 o 93.63000       2.530000      1585.272      135.0  
1 1 1 9  16 23 o 69.32000       1.921000      1196.234      16.9   
1 1 1 9  16 24 o 20.52000       1.172000      467.9080      33.9   
1 1 1 9  16 25 o 131.1000       3.971000      1757.075      8.8    
1 1 1 9  16 26 o 28.72000       1.417000      669.5087      78.2   
1 1 1 9  16 27 o 73.43000       1.939000      1180.251      -164.2 
1 1 1 9  16 28 o 5.736000       1.103000      224.1134      161.7  
1 1 1 9  16 29 o 31.15000       1.281000      599.4239      -103.6 
1 1 1 9  16 30 o 127.4000       2.858000      1371.116      148.2  
1 1 1 9  16 31 o 168.2000       3.617000      1715.715      29.5   
1 1 1 9  16 32 o 11.97000       1.061000      663.6234      -154.1 
1 1 1 9  16 33 o 2.924000       1.006000      242.1430      170.4  
1 1 1 9  16 34 o 69.94000       1.852000      1254.708      90.0   
1 1 1 9  16 35 o 7.579000       1.001000      547.1725      137.9  
1 1 1 9  16 36 o 1.714000       0.9692000     233.9703      87.3   
1 1 1 9  16 37 o 9.392000       1.032000      585.8730      -172.8 
1 1 1 9  16 38 o 7.132000       1.042000      401.7282      64.8   
1 1 1 9  16 39 o 45.54000       1.643000      913.9036      131.1  
1 1 1 9  16 40 o 36.80000       1.649000      899.3943      119.2  
1 1 1 9  16 41 o 29.76000       1.778000      808.5167      6.2    
1 1 1 9  16 42 o 38.34000       1.835000      947.3981      -150.9 
1 1 1 9  16 43 o 29.56000       1.507000      718.0366      -94.2  
1 1 1 9  16 44 o 37.22000       1.443000      877.1133      126.4  
1 1 1 9  16 45 o 4.292000       1.083000      288.0348      -49.2  
1 1 1 9  16 46 o 6.502000       1.101000      315.8701      119.3  
1 1 1 9  16 47 o 2.605000       1.094000      297.9299      113.7  
1 1 1 9  16 48 o 8.932000       1.164000      426.1097      -140.4 
1 1 1 9  16 49 o 4.297000       1.155000      185.2344      -81.3  
1 1 1 9  16 50 o -0.1308000     1.154000      136.7119      -1.1   
1 1 1 9  16 51 o 26.18000       1.419000      954.9170      58.1   
1 1 1 9  16 52 o 4.557000       1.267000      334.8298      73.0   
1 1 1 9  16 53 o 14.73000       1.366000      630.9247      39.9   
1 1 1 9  16 54 o 6.184000       1.320000      349.8388      -84.6  
1 1 1 9  16 55 o 6.659000       1.347000      424.6555      58.0   
1 1 1 9  16 56 o 14.22000       1.571000      555.1492      38.6   
1 1 1 9  16 57 o -2.516000      2.484000      168.8218      134.5  
1 1 1 9  16 58 o 14.56000       4.035000      350.9857      -157.0 
1 1 1 9  16 59 o 2.132000       1.756000      ?             ?      
1 1 1 9  16 60 o -0.2140000E-01 1.340000      ?             ?      
1 1 1 9  16 61 o 2.408000       1.338000      ?             ?      
1 1 1 9  16 62 o 2.391000       1.340000      ?             ?      
1 1 1 9  16 63 o 4.321000       1.344000      ?             ?      
1 1 1 9  16 64 o 1.554000       1.327000      ?             ?      
1 1 1 9  16 65 o 4.915000       1.346000      ?             ?      
1 1 1 9  16 66 o 8.154000       1.388000      ?             ?      
1 1 1 9  16 67 f 0.5120000      1.336000      ?             ?      
1 1 1 9  16 68 o 3.803000       1.348000      ?             ?      
1 1 1 9  16 69 o 2.183000       1.347000      ?             ?      
1 1 1 9  16 70 o 4.138000       1.383000      ?             ?      
1 1 1 9  16 71 o 3.326000       1.780000      ?             ?      
1 1 1 9  16 72 o 1.560000       2.426000      ?             ?      
1 1 1 9  16 73 o 4.442000       1.715000      ?             ?      
1 1 1 9  16 74 o -1.667000      1.412000      ?             ?      
1 1 1 9  17 0  o 27.04000       1.420000      997.6157      -90.0  
1 1 1 9  17 1  o 4.449000       0.4398000     599.2816      10.3   
1 1 1 9  17 2  o 34.62000       1.052000      858.4513      99.7   
1 1 1 9  17 3  o 29.78000       1.567000      1131.638      103.0  
1 1 1 9  17 4  o 2.323000       0.5892000     240.2725      -74.6  
1 1 1 9  17 5  o 4.944000       0.5169000     470.6051      -9.3   
1 1 1 9  17 6  o 41.67000       1.597000      961.1169      -50.4  
1 1 1 9  17 7  o 11.73000       0.7245000     690.2197      98.9   
1 1 1 9  17 8  o 31.47000       1.070000      671.1094      49.7   
1 1 1 9  17 9  o 20.20000       0.8344000     1074.245      -164.1 
1 1 1 9  17 10 o 70.45000       2.049000      1162.368      -25.8  
1 1 1 9  17 11 o 133.5000       3.403000      1838.698      -21.4  
1 1 1 9  17 12 o 113.5000       2.580000      1574.449      86.8   
1 1 1 9  17 13 o 24.40000       0.7368000     796.9725      109.6  
1 1 1 9  17 14 o 4.917000       0.5064000     448.9668      -7.2   
1 1 1 9  17 15 o 58.85000       1.503000      890.7776      -79.9  
1 1 1 9  17 16 o 162.1000       3.606000      1956.325      27.5   
1 1 1 9  17 17 o 14.87000       0.7762000     927.6819      -152.0 
1 1 1 9  17 18 o 12.62000       0.8508000     452.6161      -46.0  
1 1 1 9  17 19 o 17.20000       0.9677000     568.3702      -138.0 
1 1 1 9  17 20 o 60.51000       1.671000      875.0188      117.8  
1 1 1 9  17 21 o 60.81000       1.734000      1065.847      159.3  
1 1 1 9  17 22 o 7.073000       1.135000      421.6788      142.3  
1 1 1 9  17 23 o 47.65000       1.771000      930.7836      -146.4 
1 1 1 9  17 24 o 115.6000       2.986000      1493.379      96.0   
1 1 1 9  17 25 o 40.71000       1.716000      1153.685      -19.0  
1 1 1 9  17 26 o 77.40000       2.129000      1292.241      27.0   
1 1 1 9  17 27 o 24.27000       1.247000      745.5726      157.2  
1 1 1 9  17 28 o 88.87000       2.194000      1365.318      -43.5  
1 1 1 9  17 29 o 28.26000       1.232000      581.5701      119.7  
1 1 1 9  17 30 o 12.15000       1.077000      364.2980      -113.3 
1 1 1 9  17 31 o 67.56000       1.818000      1330.895      175.7  
1 1 1 9  17 32 o 51.50000       1.547000      1353.877      4.6    
1 1 1 9  17 33 o 12.46000       1.031000      687.9662      -69.7  
1 1 1 9  17 34 o 3.085000       0.9593000     284.7997      18.4   
1 1 1 9  17 35 o 3.189000       0.9633000     369.5523      -167.6 
1 1 1 9  17 36 o 5.574000       0.9781000     374.1804      -28.4  
1 1 1 9  17 37 o 24.57000       1.173000      794.6924      66.5   
1 1 1 9  17 38 o 15.85000       1.080000      488.2926      41.3   
1 1 1 9  17 39 o 15.37000       1.211000      605.8433      139.3  
1 1 1 9  17 40 o 40.71000       1.692000      926.4406      -7.9   
1 1 1 9  17 41 o 6.103000       1.853000      426.1497      -54.2  
1 1 1 9  17 42 o 21.53000       2.282000      619.6756      112.9  
1 1 1 9  17 43 o 4.630000       1.375000      143.2043      82.2   
1 1 1 9  17 44 o 6.547000       1.093000      354.2850      -35.0  
1 1 1 9  17 45 o 8.156000       1.107000      481.3386      -139.0 
1 1 1 9  17 46 o 4.396000       1.085000      276.2364      -16.4  
1 1 1 9  17 47 o 1.837000       1.098000      262.3665      -60.0  
1 1 1 9  17 48 o 6.103000       1.157000      497.4335      -116.3 
1 1 1 9  17 49 o 0.1022000      1.142000      113.4662      103.2  
1 1 1 9  17 50 o 18.38000       1.314000      561.9095      -167.3 
1 1 1 9  17 51 o 4.052000       1.247000      234.8995      128.0  
1 1 1 9  17 52 o 7.736000       1.290000      538.7914      58.2   
1 1 1 9  17 53 o 5.287000       1.298000      277.1258      57.7   
1 1 1 9  17 54 o -0.4982000     1.289000      73.66096      26.2   
1 1 1 9  17 55 o 8.082000       1.364000      509.3202      124.4  
1 1 1 9  17 56 o 9.154000       1.397000      447.0314      -177.6 
1 1 1 9  17 57 o 0.9700000      1.832000      121.0344      -51.2  
1 1 1 9  17 58 o 2.271000       2.447000      ?             ?      
1 1 1 9  17 59 o 3.908000       1.481000      ?             ?      
1 1 1 9  17 60 o 2.062000       1.324000      ?             ?      
1 1 1 9  17 61 o 4.066000       1.341000      ?             ?      
1 1 1 9  17 62 o 4.599000       1.342000      ?             ?      
1 1 1 9  17 63 o 0.7467000E-01  1.304000      ?             ?      
1 1 1 9  17 64 o 3.259000       1.328000      ?             ?      
1 1 1 9  17 65 o 8.363000       1.372000      ?             ?      
1 1 1 9  17 66 o 2.610000       1.325000      ?             ?      
1 1 1 9  17 67 o 14.96000       1.462000      ?             ?      
1 1 1 9  17 68 o -1.172000      1.326000      ?             ?      
1 1 1 9  17 69 o 0.1863000      1.344000      ?             ?      
1 1 1 9  17 70 o 2.860000       1.571000      ?             ?      
1 1 1 9  17 71 o 1.478000       2.133000      ?             ?      
1 1 1 9  17 72 o 1.244000       2.824000      ?             ?      
1 1 1 9  17 73 o 0.9830000      1.873000      ?             ?      
1 1 1 9  18 0  o 8.413000       0.8270000     318.3091      -90.0  
1 1 1 9  18 1  o 0.9571000      0.5050000     194.4305      149.8  
1 1 1 9  18 2  o 15.78000       0.7213000     735.1884      116.7  
1 1 1 9  18 3  o 57.22000       1.670000      968.3604      155.2  
1 1 1 9  18 4  o 6.002000       0.5865000     470.9721      119.1  
1 1 1 9  18 5  o 0.5738000      0.5629000     44.98276      -78.4  
1 1 1 9  18 6  o 9.839000       0.6360000     575.8182      -8.9   
1 1 1 9  18 7  o 13.11000       0.6965000     757.7524      -170.7 
1 1 1 9  18 8  o 25.91000       0.8860000     588.1800      149.5  
1 1 1 9  18 9  o 15.75000       0.8702000     781.7154      -112.9 
1 1 1 9  18 10 o 51.52000       1.370000      1331.865      -57.9  
1 1 1 9  18 11 o 113.1000       3.094000      1460.369      90.9   
1 1 1 9  18 12 o 66.69000       1.923000      1326.693      112.5  
1 1 1 9  18 13 o 14.17000       0.7113000     508.0591      -115.6 
1 1 1 9  18 14 o 45.22000       1.239000      1099.887      -132.4 
1 1 1 9  18 15 o 79.94000       1.932000      1322.224      93.7   
1 1 1 9  18 16 o 24.49000       0.8381000     613.8560      50.5   
1 1 1 9  18 17 o 20.32000       0.8407000     875.2515      -124.2 
1 1 1 9  18 18 o 40.20000       1.339000      1041.371      177.1  
1 1 1 9  18 19 o 40.99000       1.399000      930.6511      110.4  
1 1 1 9  18 20 o 3.174000       0.8524000     317.8721      150.7  
1 1 1 9  18 21 o 27.03000       1.221000      592.2597      68.1   
1 1 1 9  18 22 o 11.00000       1.090000      452.6234      -55.1  
1 1 1 9  18 23 o 15.33000       1.403000      485.3175      4.8    
1 1 1 9  18 24 o 5.217000       1.322000      66.67522      -144.0 
1 1 1 9  18 25 o 30.55000       1.410000      634.7451      -174.7 
1 1 1 9  18 26 o 36.08000       1.372000      946.2372      151.2  
1 1 1 9  18 27 o 2.189000       1.063000      338.4482      160.2  
1 1 1 9  18 28 o 16.58000       1.103000      546.2811      90.6   
1 1 1 9  18 29 o 34.23000       1.304000      523.7641      -130.1 
1 1 1 9  18 30 o 23.02000       1.166000      692.2518      -123.6 
1 1 1 9  18 31 o 37.24000       1.336000      844.8926      28.0   
1 1 1 9  18 32 o 14.27000       1.041000      770.8743      -58.5  
1 1 1 9  18 33 o 72.96000       1.884000      1143.161      70.1   
1 1 1 9  18 34 o 11.93000       0.9991000     678.5764      14.2   
1 1 1 9  18 35 o 5.130000       0.9847000     379.3771      -116.2 
1 1 1 9  18 36 o 13.44000       1.025000      552.4868      112.2  
1 1 1 9  18 37 o 12.06000       1.028000      458.7885      -90.0  
1 1 1 9  18 38 o 34.29000       1.318000      755.4416      167.9  
1 1 1 9  18 39 o 3.193000       1.151000      180.0695      83.6   
1 1 1 9  18 40 o 11.90000       1.194000      334.9121      34.7   
1 1 1 9  18 41 o 1.690000       1.417000      52.33142      -43.8  
1 1 1 9  18 42 o 12.55000       2.222000      560.7927      163.8  
1 1 1 9  18 43 o 3.260000       1.195000      381.1029      -155.1 
1 1 1 9  18 44 o 35.07000       1.421000      741.3519      71.5   
1 1 1 9  18 45 o 6.951000       1.114000      364.0839      -28.1  
1 1 1 9  18 46 o 3.367000       1.099000      140.3365      -41.4  
1 1 1 9  18 47 o 1.943000       1.122000      326.7165      52.6   
1 1 1 9  18 48 o 12.78000       1.223000      516.9559      -130.5 
1 1 1 9  18 49 o 14.00000       1.252000      568.7260      -73.4  
1 1 1 9  18 50 o 13.12000       1.284000      551.4824      168.6  
1 1 1 9  18 51 o 2.244000       1.241000      241.0789      89.4   
1 1 1 9  18 52 o 7.197000       1.308000      265.4807      166.4  
1 1 1 9  18 53 o 0.7926000      1.279000      133.6873      84.6   
1 1 1 9  18 54 o 1.028000       1.301000      101.2698      177.9  
1 1 1 9  18 55 o 4.369000       1.330000      216.3252      34.0   
1 1 1 9  18 56 o 1.062000       1.439000      258.4842      166.9  
1 1 1 9  18 57 o 10.53000       2.178000      500.2917      -179.0 
1 1 1 9  18 58 o 6.378000       2.370000      ?             ?      
1 1 1 9  18 59 o -0.7386000     1.801000      ?             ?      
1 1 1 9  18 60 o 5.323000       1.448000      ?             ?      
1 1 1 9  18 61 o 2.784000       1.312000      ?             ?      
1 1 1 9  18 62 o 0.1779000      1.297000      ?             ?      
1 1 1 9  18 63 o 3.459000       1.307000      ?             ?      
1 1 1 9  18 64 o 7.006000       1.366000      ?             ?      
1 1 1 9  18 65 o 1.031000       1.323000      ?             ?      
1 1 1 9  18 66 o 5.051000       1.350000      ?             ?      
1 1 1 9  18 67 o 1.946000       1.332000      ?             ?      
1 1 1 9  18 68 o -0.1050000     1.331000      ?             ?      
1 1 1 9  18 69 o -0.3878000     1.340000      ?             ?      
1 1 1 9  18 70 o -0.4530000     1.551000      ?             ?      
1 1 1 9  18 71 f 0.5931000      1.568000      ?             ?      
1 1 1 9  18 72 o 0.9656000      2.299000      ?             ?      
1 1 1 9  18 73 o 0.9102000      1.859000      ?             ?      
1 1 1 9  19 0  o 2.619000       0.7178000     88.69292      -90.0  
1 1 1 9  19 1  o 4.014000       0.7192000     404.2355      44.2   
1 1 1 9  19 2  o 1.130000       0.6547000     2.370091      -103.5 
1 1 1 9  19 3  o 3.083000       0.5529000     422.3120      -113.1 
1 1 1 9  19 4  o 3.497000       0.4982000     322.3430      25.0   
1 1 1 9  19 5  o 0.6320000      0.6293000     37.53009      -63.8  
1 1 1 9  19 6  o 6.974000       0.6030000     384.6230      -11.1  
1 1 1 9  19 7  o 13.70000       0.8355000     464.0255      114.7  
1 1 1 9  19 8  o 13.89000       0.7565000     621.7992      -94.6  
1 1 1 9  19 9  o 14.28000       0.7770000     690.4438      29.8   
1 1 1 9  19 10 o 15.76000       0.8002000     664.5440      14.8   
1 1 1 9  19 11 o 11.80000       0.8693000     439.2769      56.6   
1 1 1 9  19 12 o 2.851000       0.6497000     207.4203      145.2  
1 1 1 9  19 13 o 6.455000       0.5904000     238.1685      -147.9 
1 1 1 9  19 14 o 2.277000       0.5558000     187.6468      -63.3  
1 1 1 9  19 15 o 8.203000       0.7852000     383.5863      7.5    
1 1 1 9  19 16 o 14.99000       0.7102000     544.0522      -141.1 
1 1 1 9  19 17 o 19.50000       0.8802000     593.9067      -103.1 
1 1 1 9  19 18 o -0.6506000     0.7211000     93.94904      69.4   
1 1 1 9  19 19 o 49.88000       1.908000      837.0287      177.5  
1 1 1 9  19 20 o 10.93000       0.9608000     435.3132      47.9   
1 1 1 9  19 21 o 27.36000       1.296000      456.1690      -156.9 
1 1 1 9  19 22 o 2.280000       1.090000      270.4846      -88.9  
1 1 1 9  19 23 o 9.585000       1.736000      534.7767      176.1  
1 1 1 9  19 24 o 1.671000       1.370000      399.4961      77.4   
1 1 1 9  19 25 o 1.605000       1.086000      169.2544      168.2  
1 1 1 9  19 26 o 2.422000       1.019000      142.5772      -61.5  
1 1 1 9  19 27 o 12.49000       1.080000      524.5820      -93.8  
1 1 1 9  19 28 o 62.38000       1.735000      811.4467      32.5   
1 1 1 9  19 29 o 27.79000       1.214000      533.8135      176.5  
1 1 1 9  19 30 o 29.72000       1.230000      615.1163      -89.6  
1 1 1 9  19 31 o 2.812000       0.9580000     243.3868      79.0   
1 1 1 9  19 32 o 8.101000       0.9761000     251.5426      154.2  
1 1 1 9  19 33 o 11.14000       0.9946000     441.1764      118.4  
1 1 1 9  19 34 o 10.48000       0.9771000     267.2463      73.0   
1 1 1 9  19 35 o 2.559000       0.9191000     155.3308      131.0  
1 1 1 9  19 36 o 13.34000       1.003000      530.7013      -26.5  
1 1 1 9  19 37 o 2.218000       0.9416000     294.3394      161.7  
1 1 1 9  19 38 o 1.979000       0.9691000     145.6197      155.9  
1 1 1 9  19 39 o 3.407000       0.9795000     246.7015      25.7   
1 1 1 9  19 40 o 8.399000       1.269000      387.3919      17.4   
1 1 1 9  19 41 o 2.547000       1.715000      183.2048      177.2  
1 1 1 9  19 42 o 8.170000       2.120000      233.9074      106.7  
1 1 1 9  19 43 o 4.977000       1.327000      408.4657      -123.8 
1 1 1 9  19 44 o 3.603000       1.202000      335.8285      -36.0  
1 1 1 9  19 45 o 7.672000       1.130000      376.7715      168.4  
1 1 1 9  19 46 o 6.670000       1.248000      281.8728      49.1   
1 1 1 9  19 47 o 11.79000       1.211000      405.3806      -114.1 
1 1 1 9  19 48 o 7.873000       1.190000      261.9774      -136.6 
1 1 1 9  19 49 o 3.057000       1.197000      298.7651      -68.6  
1 1 1 9  19 50 o 3.345000       1.238000      16.57587      3.9    
1 1 1 9  19 51 o -1.409000      1.240000      47.99668      -149.2 
1 1 1 9  19 52 o 10.52000       1.335000      418.8355      86.0   
1 1 1 9  19 53 o 2.345000       1.289000      137.6581      -63.0  
1 1 1 9  19 54 o 2.662000       1.316000      234.8713      167.0  
1 1 1 9  19 55 o -1.067000      1.306000      109.2166      -172.0 
1 1 1 9  19 56 o 3.492000       1.452000      203.8958      -73.5  
1 1 1 9  19 57 o -1.918000      1.621000      ?             ?      
1 1 1 9  19 58 o 0.7463000      1.555000      ?             ?      
1 1 1 9  19 59 o 2.959000       1.925000      ?             ?      
1 1 1 9  19 60 o -4.831000      1.412000      ?             ?      
1 1 1 9  19 61 o 0.3107000      1.292000      ?             ?      
1 1 1 9  19 62 o 3.034000       1.382000      ?             ?      
1 1 1 9  19 63 o 0.1448000      1.303000      ?             ?      
1 1 1 9  19 64 o 3.270000       1.332000      ?             ?      
1 1 1 9  19 65 o 0.8054000      1.312000      ?             ?      
1 1 1 9  19 66 o 0.5288000      1.321000      ?             ?      
1 1 1 9  19 67 o 1.027000       1.324000      ?             ?      
1 1 1 9  19 68 o 1.266000       1.318000      ?             ?      
1 1 1 9  19 69 o 4.134000       1.554000      ?             ?      
1 1 1 9  19 70 o -1.470000      1.678000      ?             ?      
1 1 1 9  19 71 o 1.823000       1.584000      ?             ?      
1 1 1 9  19 72 o 2.279000       1.798000      ?             ?      
1 1 1 9  19 73 o -1.993000      1.864000      ?             ?      
1 1 1 9  20 0  o 11.11000       1.148000      209.1602      90.0   
1 1 1 9  20 1  o 4.758000       0.6489000     245.0495      -160.6 
1 1 1 9  20 2  o 0.7800000      0.5812000     225.2424      -107.9 
1 1 1 9  20 3  o 21.30000       0.9049000     747.3248      95.9   
1 1 1 9  20 4  o 18.43000       1.040000      683.0148      81.3   
1 1 1 9  20 5  o 20.90000       1.058000      350.9701      -96.8  
1 1 1 9  20 6  o 4.213000       0.6935000     332.3494      -26.9  
1 1 1 9  20 7  o 35.84000       1.351000      732.0354      116.1  
1 1 1 9  20 8  o 1.106000       0.5804000     208.6945      68.1   
1 1 1 9  20 9  o 3.777000       0.7186000     356.3989      -159.8 
1 1 1 9  20 10 f 6.747000       0.7649000     442.3986      -40.6  
1 1 1 9  20 11 o 9.099000       0.7150000     342.1928      107.9  
1 1 1 9  20 12 o 11.84000       0.7989000     516.0634      -155.4 
1 1 1 9  20 13 o 3.300000       0.6894000     533.2026      -66.6  
1 1 1 9  20 14 o 0.3492000      0.5903000     111.5497      -70.3  
1 1 1 9  20 15 o 12.53000       0.7502000     555.7003      48.8   
1 1 1 9  20 16 o 1.578000       0.6240000     287.0905      67.7   
1 1 1 9  20 17 o 3.988000       0.6986000     183.1787      174.3  
1 1 1 9  20 18 o 1.520000       0.7226000     208.3951      -64.5  
1 1 1 9  20 19 o 14.84000       1.014000      469.6147      36.9   
1 1 1 9  20 20 o 25.82000       1.243000      334.7998      -33.0  
1 1 1 9  20 21 o 14.83000       1.076000      362.6629      -81.8  
1 1 1 9  20 22 o 8.248000       0.9939000     300.8420      -73.9  
1 1 1 9  20 23 o 26.25000       1.936000      617.2325      158.9  
1 1 1 9  20 24 o 18.35000       1.760000      705.8809      57.8   
1 1 1 9  20 25 o 20.45000       1.346000      548.1733      -171.0 
1 1 1 9  20 26 o 6.297000       1.005000      316.9666      -152.1 
1 1 1 9  20 27 o 10.94000       1.022000      278.9849      95.3   
1 1 1 9  20 28 o 9.270000       1.019000      500.8115      12.3   
1 1 1 9  20 29 o 5.730000       0.9893000     326.3986      -135.9 
1 1 1 9  20 30 o 17.67000       1.060000      514.0992      -70.2  
1 1 1 9  20 31 o 6.343000       0.9481000     342.7879      -26.2  
1 1 1 9  20 32 o 9.311000       0.9837000     175.3098      152.6  
1 1 1 9  20 33 o 11.31000       0.9864000     217.1055      -5.7   
1 1 1 9  20 34 o 10.49000       0.9802000     237.9112      -144.5 
1 1 1 9  20 35 o 7.752000       0.9579000     306.8362      -159.3 
1 1 1 9  20 36 o 5.189000       0.9392000     235.8539      71.8   
1 1 1 9  20 37 o 4.398000       0.9429000     140.9141      -81.9  
1 1 1 9  20 38 o 9.059000       0.9978000     475.6840      -165.3 
1 1 1 9  20 39 o 1.260000       0.9689000     20.13226      -118.9 
1 1 1 9  20 40 o 3.660000       1.088000      179.0180      65.7   
1 1 1 9  20 41 o 3.263000       1.309000      151.5609      -119.1 
1 1 1 9  20 42 o -0.2923000     1.154000      39.75691      122.5  
1 1 1 9  20 43 o 1.939000       1.219000      64.57054      -149.6 
1 1 1 9  20 44 o 3.355000       1.227000      276.0437      56.7   
1 1 1 9  20 45 o 2.389000       1.110000      168.8572      -111.1 
1 1 1 9  20 46 o 1.530000       1.119000      163.0839      -76.7  
1 1 1 9  20 47 o 4.315000       1.162000      151.5598      22.1   
1 1 1 9  20 48 o 7.689000       1.217000      336.8789      -100.3 
1 1 1 9  20 49 o 2.396000       1.212000      146.9076      2.3    
1 1 1 9  20 50 o 7.242000       1.284000      394.9863      -179.0 
1 1 1 9  20 51 o 0.8641000      1.267000      61.19462      145.4  
1 1 1 9  20 52 o 6.398000       1.319000      279.7141      0.4    
1 1 1 9  20 53 o 1.323000       1.286000      164.9623      18.6   
1 1 1 9  20 54 o 0.8573000      1.302000      161.9322      -110.8 
1 1 1 9  20 55 o 0.3551000E-01  1.424000      73.25857      112.2  
1 1 1 9  20 56 o 0.2307000      1.655000      166.3951      115.4  
1 1 1 9  20 57 o 0.3675000      1.456000      ?             ?      
1 1 1 9  20 58 o 0.1850000      1.467000      ?             ?      
1 1 1 9  20 59 o 0.6871000      1.683000      ?             ?      
1 1 1 9  20 60 o -1.604000      1.561000      ?             ?      
1 1 1 9  20 61 o 1.702000       1.410000      ?             ?      
1 1 1 9  20 62 o 0.4473000      1.282000      ?             ?      
1 1 1 9  20 63 o -1.400000      1.372000      ?             ?      
1 1 1 9  20 64 o 2.469000       1.309000      ?             ?      
1 1 1 9  20 65 o 1.251000       1.296000      ?             ?      
1 1 1 9  20 66 o 1.607000       1.317000      ?             ?      
1 1 1 9  20 67 o 2.051000       1.319000      ?             ?      
1 1 1 9  20 68 o -0.1199000     1.341000      ?             ?      
1 1 1 9  20 69 o -0.4613000     1.538000      ?             ?      
1 1 1 9  20 70 o 2.143000       1.805000      ?             ?      
1 1 1 9  20 71 o -0.6642000     1.955000      ?             ?      
1 1 1 9  20 72 o 0.8262000      1.763000      ?             ?      
1 1 1 9  21 0  o -1.072000      1.087000      103.6342      90.0   
1 1 1 9  21 1  o -0.6584000     0.6325000     292.7861      55.2   
1 1 1 9  21 2  o -0.2122000     0.8080000     149.4088      -153.0 
1 1 1 9  21 3  o -0.8004000     0.5502000     87.32769      -73.4  
1 1 1 9  21 4  o -1.481000      0.5532000     158.4423      133.3  
1 1 1 9  21 5  o -0.2043000     0.5366000     133.1352      -54.2  
1 1 1 9  21 6  o 1.716000       0.5842000     125.9871      -110.0 
1 1 1 9  21 7  o -3.093000      1.047000      110.0480      -3.4   
1 1 1 9  21 8  o 0.2564000      1.063000      162.4252      -79.1  
1 1 1 9  21 9  o 5.801000       0.8432000     184.5997      163.7  
1 1 1 9  21 10 o -1.450000      0.5380000     169.9096      7.2    
1 1 1 9  21 11 o 1.117000       0.7385000     245.3433      69.1   
1 1 1 9  21 12 o 4.786000       0.7785000     110.8337      176.4  
1 1 1 9  21 13 o 2.516000       0.7775000     64.68432      -157.4 
1 1 1 9  21 14 o -0.4111000     0.7604000     71.34534      -12.3  
1 1 1 9  21 15 o 3.705000       0.7060000     227.3629      85.2   
1 1 1 9  21 16 o 1.682000       0.6616000     170.4450      134.1  
1 1 1 9  21 17 o 1.712000       0.7004000     104.4361      -39.8  
1 1 1 9  21 18 o 3.743000       0.7706000     348.9392      10.4   
1 1 1 9  21 19 o 3.223000       0.8279000     45.77686      -131.2 
1 1 1 9  21 20 o 0.1918000      0.9773000     40.13066      -150.7 
1 1 1 9  21 21 o 5.268000       1.042000      336.2220      -165.5 
1 1 1 9  21 22 o 2.428000       1.306000      28.13870      -126.3 
1 1 1 9  21 23 o 1.621000       1.631000      87.33126      9.6    
1 1 1 9  21 24 o 2.201000       1.257000      217.2420      159.7  
1 1 1 9  21 25 o -0.8437000     1.302000      247.3453      90.0   
1 1 1 9  21 26 o 7.256000       1.150000      163.0156      -44.8  
1 1 1 9  21 27 o 5.759000       0.9530000     118.7883      97.3   
1 1 1 9  21 28 o 3.291000       0.9466000     220.9402      166.9  
1 1 1 9  21 29 o 1.444000       0.9310000     96.94835      73.3   
1 1 1 9  21 30 o 1.487000       0.9250000     89.13008      -26.6  
1 1 1 9  21 31 o -1.246000      0.9039000     84.54324      -45.7  
1 1 1 9  21 32 o 10.02000       0.9761000     287.8708      107.6  
1 1 1 9  21 33 o 0.9118000      0.9005000     50.39632      130.6  
1 1 1 9  21 34 o 1.723000       0.9090000     220.1723      -99.7  
1 1 1 9  21 35 o 6.691000       1.102000      289.8174      170.0  
1 1 1 9  21 36 o 4.489000       1.029000      135.8509      -50.8  
1 1 1 9  21 37 o -0.3586000     0.9180000     250.1050      -6.2   
1 1 1 9  21 38 o 1.897000       0.9421000     201.4495      -88.9  
1 1 1 9  21 39 o 2.367000       1.031000      128.7934      -120.6 
1 1 1 9  21 40 o 1.832000       1.201000      145.8622      68.3   
1 1 1 9  21 41 o 5.459000       1.328000      176.8746      145.1  
1 1 1 9  21 42 o -0.2611000     1.228000      124.6359      -16.7  
1 1 1 9  21 43 o 17.57000       1.667000      406.9126      -96.1  
1 1 1 9  21 44 o 2.870000       1.326000      210.5701      31.1   
1 1 1 9  21 45 o 2.076000       1.228000      172.7869      -156.8 
1 1 1 9  21 46 o 0.1000000      1.120000      40.86191      160.4  
1 1 1 9  21 47 o -1.065000      1.155000      51.27333      -22.4  
1 1 1 9  21 48 o 2.172000       1.195000      222.5795      144.0  
1 1 1 9  21 49 o 5.706000       1.245000      416.8337      -47.6  
1 1 1 9  21 50 o 5.433000       1.284000      181.5535      26.5   
1 1 1 9  21 51 o 8.456000       1.324000      252.4669      159.5  
1 1 1 9  21 52 o -0.8767000E-01 1.279000      92.96593      103.4  
1 1 1 9  21 53 o 0.1002000      1.298000      163.0574      64.4   
1 1 1 9  21 54 o 0.9711000      1.311000      23.75088      133.9  
1 1 1 9  21 55 o 2.147000       1.455000      164.2080      -39.2  
1 1 1 9  21 56 o 3.317000       1.480000      142.5881      2.4    
1 1 1 9  21 57 o 1.798000       1.321000      ?             ?      
1 1 1 9  21 58 o 9.036000       1.518000      ?             ?      
1 1 1 9  21 59 o 0.9510000      1.537000      ?             ?      
1 1 1 9  21 60 o -0.7597000     1.670000      ?             ?      
1 1 1 9  21 61 o 2.709000       1.446000      ?             ?      
1 1 1 9  21 62 o -0.6227000     1.272000      ?             ?      
1 1 1 9  21 63 o 0.2186000      1.284000      ?             ?      
1 1 1 9  21 64 o 1.764000       1.297000      ?             ?      
1 1 1 9  21 65 o 2.954000       1.294000      ?             ?      
1 1 1 9  21 66 o -1.139000      1.297000      ?             ?      
1 1 1 9  21 67 o -0.3713000     1.312000      ?             ?      
1 1 1 9  21 68 o 3.248000       1.750000      ?             ?      
1 1 1 9  21 69 o 1.907000       1.882000      ?             ?      
1 1 1 9  21 70 o 1.837000       2.349000      ?             ?      
1 1 1 9  21 71 o 3.968000       1.539000      ?             ?      
1 1 1 9  21 72 o 0.4544000      1.553000      ?             ?      
1 1 1 9  22 0  o -0.5998000     1.124000      80.60159      90.0   
1 1 1 9  22 1  o -1.081000      1.003000      12.03020      -66.8  
1 1 1 9  22 2  o 2.384000       0.6593000     184.7133      108.8  
1 1 1 9  22 3  o 3.236000       0.6593000     245.9307      -38.5  
1 1 1 9  22 4  o 0.8716000E-01  0.5601000     356.6530      142.0  
1 1 1 9  22 5  o 1.321000       0.5501000     256.1718      22.6   
1 1 1 9  22 6  o -0.9265000     0.5787000     328.1557      -110.9 
1 1 1 9  22 7  o 0.3383000      0.6043000     78.60717      -167.6 
1 1 1 9  22 8  o 4.450000       0.9372000     402.6794      45.6   
1 1 1 9  22 9  o -0.4493000     1.003000      72.37400      78.9   
1 1 1 9  22 10 o -0.2886000     1.126000      87.24023      -65.9  
1 1 1 9  22 11 o 3.117000       1.152000      73.07358      178.9  
1 1 1 9  22 12 o 3.081000       0.8490000     167.8471      -15.2  
1 1 1 9  22 13 o 4.420000       0.8289000     67.84303      -39.5  
1 1 1 9  22 14 o 4.303000       0.9159000     423.2358      -64.4  
1 1 1 9  22 15 o -1.556000      0.8685000     189.2419      35.3   
1 1 1 9  22 16 o -0.7038000     0.7519000     122.5806      78.6   
1 1 1 9  22 17 o 0.6759000      0.7555000     160.1597      93.2   
1 1 1 9  22 18 o 0.1696000      0.9956000     171.6183      -1.5   
1 1 1 9  22 19 o 2.426000       0.8537000     403.9325      93.3   
1 1 1 9  22 20 o 5.993000       1.051000      135.5919      174.1  
1 1 1 9  22 21 o 6.686000       1.153000      224.5049      110.0  
1 1 1 9  22 22 o 2.950000       1.288000      278.2385      2.0    
1 1 1 9  22 23 o 2.728000       1.071000      143.8364      92.8   
1 1 1 9  22 24 o 0.2669000      1.060000      179.1538      178.0  
1 1 1 9  22 25 o 9.983000       1.294000      436.8503      3.9    
1 1 1 9  22 26 o 0.8471000E-01  1.082000      269.5540      -127.5 
1 1 1 9  22 27 o 2.333000       0.9309000     141.0592      -172.5 
1 1 1 9  22 28 o -0.2429000     0.9017000     117.5040      137.6  
1 1 1 9  22 29 o 4.185000       0.9200000     208.1350      -8.8   
1 1 1 9  22 30 o 7.779000       0.9408000     312.2519      -62.6  
1 1 1 9  22 31 o 3.553000       0.9068000     306.5488      -31.1  
1 1 1 9  22 32 o 1.210000       0.8956000     152.2139      171.3  
1 1 1 9  22 33 o 7.736000       0.9452000     437.7932      -87.3  
1 1 1 9  22 34 o 4.804000       0.9400000     275.0742      -70.9  
1 1 1 9  22 35 o 9.071000       0.9694000     315.8383      76.9   
1 1 1 9  22 36 o 6.741000       0.9509000     277.8761      -63.7  
1 1 1 9  22 37 o 0.1692000      0.9311000     53.96306      42.4   
1 1 1 9  22 38 o 3.125000       0.9599000     216.8857      93.4   
1 1 1 9  22 39 o 3.062000       1.211000      129.7384      154.6  
1 1 1 9  22 40 o 13.71000       1.483000      406.6575      169.1  
1 1 1 9  22 41 o -1.120000      1.016000      94.66732      -80.1  
1 1 1 9  22 42 o 3.858000       1.178000      135.0557      -158.4 
1 1 1 9  22 43 o 4.293000       1.213000      252.0911      -38.0  
1 1 1 9  22 44 o 0.8077000      1.238000      150.0373      19.9   
1 1 1 9  22 45 o 1.534000       1.359000      46.61890      179.2  
1 1 1 9  22 46 o 1.704000       1.136000      203.7620      -53.3  
1 1 1 9  22 47 o 4.211000       1.166000      131.8814      -168.8 
1 1 1 9  22 48 o 8.056000       1.237000      349.7669      78.1   
1 1 1 9  22 49 o 9.924000       1.301000      268.6765      -100.7 
1 1 1 9  22 50 o 2.819000       1.276000      236.8934      -99.2  
1 1 1 9  22 51 o 2.997000       1.305000      252.3966      101.6  
1 1 1 9  22 52 f 4.340000       1.311000      187.8693      90.3   
1 1 1 9  22 53 o 3.270000       1.309000      101.7783      127.4  
1 1 1 9  22 54 f 0.3355000      1.431000      61.28708      137.3  
1 1 1 9  22 55 o 10.19000       1.802000      246.1818      111.6  
1 1 1 9  22 56 o -0.4890000     1.495000      ?             ?      
1 1 1 9  22 57 o 3.101000       1.342000      ?             ?      
1 1 1 9  22 58 o 1.651000       1.317000      ?             ?      
1 1 1 9  22 59 o 3.575000       1.437000      ?             ?      
1 1 1 9  22 60 o -1.738000      1.657000      ?             ?      
1 1 1 9  22 61 o -0.8820000     1.510000      ?             ?      
1 1 1 9  22 62 o 1.070000       1.421000      ?             ?      
1 1 1 9  22 63 o 2.110000       1.284000      ?             ?      
1 1 1 9  22 64 o 0.2096000      1.276000      ?             ?      
1 1 1 9  22 65 o 1.640000       1.296000      ?             ?      
1 1 1 9  22 66 o 1.457000       1.449000      ?             ?      
1 1 1 9  22 67 o 3.644000       1.474000      ?             ?      
1 1 1 9  22 68 o 0.5373000      2.248000      ?             ?      
1 1 1 9  22 69 o 1.931000       1.745000      ?             ?      
1 1 1 9  22 70 o 4.534000       1.714000      ?             ?      
1 1 1 9  22 71 o 2.450000       1.394000      ?             ?      
1 1 1 9  22 72 o 3.069000       1.666000      ?             ?      
1 1 1 9  23 0  o 5.196000       1.077000      284.8409      90.0   
1 1 1 9  23 1  o 0.3367000      0.7542000     193.1821      79.4   
1 1 1 9  23 2  o -0.4514000     0.6864000     132.0804      145.5  
1 1 1 9  23 3  o 12.83000       0.9866000     592.1981      -156.7 
1 1 1 9  23 4  o 1.240000       0.5693000     296.8484      45.0   
1 1 1 9  23 5  f 1.126000       0.5810000     195.3341      -7.7   
1 1 1 9  23 6  o 11.05000       0.6731000     533.3774      91.9   
1 1 1 9  23 7  o 2.998000       0.6348000     319.1838      -81.3  
1 1 1 9  23 8  o 0.4444000E-01  0.7851000     98.34053      4.9    
1 1 1 9  23 9  o -0.8811000     0.6910000     36.92559      -140.6 
1 1 1 9  23 10 o 1.244000       0.8576000     353.1745      -178.6 
1 1 1 9  23 11 o -0.5597000     0.8567000     133.0340      -107.3 
1 1 1 9  23 12 o 6.166000       1.045000      428.3651      153.1  
1 1 1 9  23 13 o 1.239000       1.616000      34.68677      63.5   
1 1 1 9  23 14 o 8.713000       1.653000      260.8351      -163.1 
1 1 1 9  23 15 o 0.7360000      0.9323000     267.1253      74.4   
1 1 1 9  23 16 o 7.582000       1.050000      350.2399      47.9   
1 1 1 9  23 17 o 10.82000       1.021000      467.4743      87.3   
1 1 1 9  23 18 o -0.1392000     0.8421000     85.21351      -101.7 
1 1 1 9  23 19 o 0.3866000      0.8680000     30.06314      -63.6  
1 1 1 9  23 20 o 3.129000       0.9917000     356.1542      -105.2 
1 1 1 9  23 21 o -3.974000      1.455000      106.2649      -117.1 
1 1 1 9  23 22 o 2.856000       1.286000      267.4761      97.6   
1 1 1 9  23 23 o 2.838000       1.105000      345.8613      -161.8 
1 1 1 9  23 24 o 2.924000       0.9093000     329.4342      106.8  
1 1 1 9  23 25 o 0.2882000      1.041000      257.5690      -111.1 
1 1 1 9  23 26 o 6.287000       1.179000      191.2975      -14.3  
1 1 1 9  23 27 o 6.703000       1.060000      174.3994      -40.1  
1 1 1 9  23 28 o 6.274000       1.039000      131.3065      161.3  
1 1 1 9  23 29 o 5.250000       0.8984000     390.0803      69.6   
1 1 1 9  23 30 o 3.042000       0.8882000     196.5466      15.8   
1 1 1 9  23 31 o 1.372000       0.8774000     42.09208      104.6  
1 1 1 9  23 32 o 5.145000       0.9104000     181.5074      110.7  
1 1 1 9  23 33 o 19.64000       1.196000      498.8954      118.0  
1 1 1 9  23 34 o 8.754000       0.9494000     360.8004      -94.4  
1 1 1 9  23 35 o 1.216000       0.9119000     89.63592      -80.8  
1 1 1 9  23 36 o 8.946000       1.093000      323.3306      -23.2  
1 1 1 9  23 37 f 15.98000       1.082000      362.5869      127.8  
1 1 1 9  23 38 o 0.2724000      1.016000      169.1960      170.9  
1 1 1 9  23 39 o 3.982000       1.186000      227.0959      -2.8   
1 1 1 9  23 40 o 7.067000       1.146000      361.0393      -153.2 
1 1 1 9  23 41 o 16.66000       1.146000      599.2659      131.0  
1 1 1 9  23 42 o 12.01000       1.233000      467.1024      29.2   
1 1 1 9  23 43 o 3.143000       1.272000      75.74025      -138.8 
1 1 1 9  23 44 o 5.473000       1.535000      175.2247      -133.5 
1 1 1 9  23 45 o 4.459000       1.399000      230.1808      -51.1  
1 1 1 9  23 46 o 1.561000       1.251000      172.1959      148.9  
1 1 1 9  23 47 o 2.783000       1.164000      240.9528      170.3  
1 1 1 9  23 48 o 10.46000       1.248000      362.2247      15.0   
1 1 1 9  23 49 o 15.71000       1.458000      418.6417      -13.3  
1 1 1 9  23 50 o 4.548000       1.285000      280.9834      -126.4 
1 1 1 9  23 51 o 2.359000       1.297000      269.0210      -153.3 
1 1 1 9  23 52 o 5.322000       1.322000      256.2196      -26.2  
1 1 1 9  23 53 o 3.062000       1.309000      169.7853      -40.3  
1 1 1 9  23 54 o 4.851000       1.460000      221.9813      -168.7 
1 1 1 9  23 55 o 1.328000       1.491000      ?             ?      
1 1 1 9  23 56 o 2.075000       1.338000      ?             ?      
1 1 1 9  23 57 o 2.864000       1.320000      ?             ?      
1 1 1 9  23 58 o 0.3257000      1.299000      ?             ?      
1 1 1 9  23 59 o 1.679000       1.426000      ?             ?      
1 1 1 9  23 60 o 4.179000       1.523000      ?             ?      
1 1 1 9  23 61 o 1.805000       1.634000      ?             ?      
1 1 1 9  23 62 o 0.4706000      1.389000      ?             ?      
1 1 1 9  23 63 o -1.230000      1.277000      ?             ?      
1 1 1 9  23 64 o 1.764000       1.423000      ?             ?      
1 1 1 9  23 65 o 3.743000       1.344000      ?             ?      
1 1 1 9  23 66 o 0.5323000      1.674000      ?             ?      
1 1 1 9  23 67 o -2.875000      1.462000      ?             ?      
1 1 1 9  23 68 o 1.311000       1.727000      ?             ?      
1 1 1 9  23 69 o 2.202000       1.548000      ?             ?      
1 1 1 9  23 70 o 3.062000       1.371000      ?             ?      
1 1 1 9  23 71 o -0.9172000     1.382000      ?             ?      
1 1 1 9  24 0  o -0.1326000     1.135000      466.3391      -90.0  
1 1 1 9  24 1  o 11.60000       0.8584000     517.9562      -101.9 
1 1 1 9  24 2  o 7.819000       0.9317000     756.4143      -83.3  
1 1 1 9  24 3  o -1.646000      0.6741000     192.4901      162.2  
1 1 1 9  24 4  o 1.242000       0.6720000     301.4296      -110.9 
1 1 1 9  24 5  o 28.25000       0.9355000     988.0380      -75.9  
1 1 1 9  24 6  o 8.284000       0.6906000     558.0383      171.6  
1 1 1 9  24 7  o 14.55000       0.7748000     624.9131      94.6   
1 1 1 9  24 8  o 6.451000       0.7482000     316.1322      -71.8  
1 1 1 9  24 9  o 46.14000       1.487000      894.2684      -119.8 
1 1 1 9  24 10 o 16.86000       1.191000      675.3627      -56.5  
1 1 1 9  24 11 o 3.315000       0.9115000     488.2653      -178.6 
1 1 1 9  24 12 o 10.95000       1.132000      478.1357      -43.7  
1 1 1 9  24 13 o 8.223000       0.9842000     510.7228      -39.7  
1 1 1 9  24 14 o 6.960000       0.9925000     509.8669      -98.5  
1 1 1 9  24 15 o 37.75000       1.655000      978.4458      143.5  
1 1 1 9  24 16 o 9.054000       1.760000      459.7829      -129.4 
1 1 1 9  24 17 o 5.245000       1.764000      388.8737      19.7   
1 1 1 9  24 18 o 27.80000       1.442000      627.0024      -40.3  
1 1 1 9  24 19 o 5.175000       0.9981000     481.9601      51.0   
1 1 1 9  24 20 o -0.9756000     0.9915000     302.1752      -143.1 
1 1 1 9  24 21 o 24.91000       1.469000      778.2416      66.4   
1 1 1 9  24 22 o 4.805000       1.149000      281.4385      34.1   
1 1 1 9  24 23 o 6.718000       1.062000      325.8509      110.4  
1 1 1 9  24 24 o 3.679000       0.8888000     170.4843      15.2   
1 1 1 9  24 25 o 2.653000       1.019000      157.7205      25.5   
1 1 1 9  24 26 o 2.444000       1.021000      149.2436      -169.6 
1 1 1 9  24 27 o 1.568000       1.107000      54.18830      -62.2  
1 1 1 9  24 28 o 3.483000       0.9816000     78.27695      16.8   
1 1 1 9  24 29 o 1.248000       0.8427000     187.8106      4.6    
1 1 1 9  24 30 o 8.312000       0.9061000     172.2684      116.3  
1 1 1 9  24 31 o 24.87000       1.089000      488.3288      -61.1  
1 1 1 9  24 32 o 2.901000       0.8847000     173.5847      138.7  
1 1 1 9  24 33 o 29.35000       1.179000      720.3479      -16.4  
1 1 1 9  24 34 o 14.69000       0.9984000     559.9699      126.0  
1 1 1 9  24 35 o 4.882000       0.9180000     231.0443      34.1   
1 1 1 9  24 36 o 28.54000       1.208000      695.3458      -121.5 
1 1 1 9  24 37 o 12.34000       1.036000      525.7235      61.8   
1 1 1 9  24 38 o 10.93000       1.103000      564.4725      -163.9 
1 1 1 9  24 39 o 20.35000       1.268000      669.8210      -99.3  
1 1 1 9  24 40 o 1.043000       0.9869000     144.3617      -131.0 
1 1 1 9  24 41 o 2.845000       1.015000      182.3457      -102.6 
1 1 1 9  24 42 o 3.144000       1.044000      93.61311      144.0  
1 1 1 9  24 43 o 3.655000       1.194000      234.8326      -73.2  
1 1 1 9  24 44 o 12.16000       1.308000      407.7222      -124.5 
1 1 1 9  24 45 o 8.484000       1.309000      258.5888      -136.0 
1 1 1 9  24 46 o 3.889000       1.380000      289.1921      8.3    
1 1 1 9  24 47 o 7.398000       1.310000      321.6075      125.8  
1 1 1 9  24 48 o 2.693000       1.187000      174.4233      -10.2  
1 1 1 9  24 49 o 6.853000       1.456000      244.2671      -59.8  
1 1 1 9  24 50 o 5.307000       1.292000      278.4812      116.6  
1 1 1 9  24 51 o 4.295000       1.323000      362.6441      139.3  
1 1 1 9  24 52 o 15.09000       1.388000      464.6735      53.8   
1 1 1 9  24 53 o 2.060000       1.422000      165.4421      -112.6 
1 1 1 9  24 54 o 2.936000       1.658000      194.1517      62.2   
1 1 1 9  24 55 o 3.574000       1.502000      ?             ?      
1 1 1 9  24 56 o -1.174000      1.308000      ?             ?      
1 1 1 9  24 57 o 3.505000       1.310000      ?             ?      
1 1 1 9  24 58 o 5.359000       1.323000      ?             ?      
1 1 1 9  24 59 o 5.094000       1.302000      ?             ?      
1 1 1 9  24 60 o 2.034000       1.408000      ?             ?      
1 1 1 9  24 61 o 2.660000       1.642000      ?             ?      
1 1 1 9  24 62 o -2.197000      1.512000      ?             ?      
1 1 1 9  24 63 o 2.328000       1.421000      ?             ?      
1 1 1 9  24 64 o -0.4372000     1.637000      ?             ?      
1 1 1 9  24 65 o 2.984000       1.454000      ?             ?      
1 1 1 9  24 66 o -1.857000      1.435000      ?             ?      
1 1 1 9  24 67 o 2.528000       1.535000      ?             ?      
1 1 1 9  24 68 o 2.150000       1.570000      ?             ?      
1 1 1 9  24 69 o 1.085000       1.439000      ?             ?      
1 1 1 9  24 70 o -1.426000      1.368000      ?             ?      
1 1 1 9  24 71 o 1.589000       1.386000      ?             ?      
1 1 1 9  25 0  o 2.628000       1.098000      191.5136      -90.0  
1 1 1 9  25 1  o 5.617000       0.9442000     645.5042      -17.6  
1 1 1 9  25 2  o 2.208000       0.9262000     154.3204      -27.4  
1 1 1 9  25 3  o 8.625000       0.9204000     426.3850      92.0   
1 1 1 9  25 4  o 13.60000       0.8367000     771.6313      40.5   
1 1 1 9  25 5  o 15.99000       0.8142000     659.0679      -170.0 
1 1 1 9  25 6  o 40.78000       1.143000      981.2324      -96.6  
1 1 1 9  25 7  o 34.21000       1.389000      660.6497      71.4   
1 1 1 9  25 8  o 21.48000       0.9101000     846.3350      23.3   
1 1 1 9  25 9  o 15.28000       1.179000      763.2235      98.5   
1 1 1 9  25 10 o 11.86000       0.9910000     276.0359      19.9   
1 1 1 9  25 11 o 27.41000       1.211000      948.3478      109.2  
1 1 1 9  25 12 o 45.11000       1.425000      1171.840      173.6  
1 1 1 9  25 13 o 6.816000       1.016000      309.2354      45.2   
1 1 1 9  25 14 o 24.38000       1.192000      843.7893      -107.7 
1 1 1 9  25 15 o 38.97000       1.591000      957.2830      -7.4   
1 1 1 9  25 16 o 17.52000       1.166000      699.0410      -16.6  
1 1 1 9  25 17 o 15.95000       1.226000      696.6446      86.4   
1 1 1 9  25 18 o -1.779000      0.9144000     87.21686      -67.4  
1 1 1 9  25 19 o 2.627000       1.088000      191.9219      -0.5   
1 1 1 9  25 20 o 73.96000       3.063000      1261.210      -161.7 
1 1 1 9  25 21 o 14.48000       1.133000      713.9960      158.2  
1 1 1 9  25 22 o 43.95000       2.667000      925.1063      61.9   
1 1 1 9  25 23 o 4.462000       1.051000      492.0959      96.3   
1 1 1 9  25 24 o 22.33000       1.171000      702.0268      128.5  
1 1 1 9  25 25 o 9.027000       0.9465000     293.6779      -33.8  
1 1 1 9  25 26 o 10.87000       1.036000      432.7650      -3.4   
1 1 1 9  25 27 o 9.315000       1.150000      171.1609      106.2  
1 1 1 9  25 28 o 3.509000       0.9780000     235.0299      60.8   
1 1 1 9  25 29 o 16.86000       0.9610000     213.4664      -151.2 
1 1 1 9  25 30 o 3.333000       0.8619000     316.8999      27.3   
1 1 1 9  25 31 o 8.238000       0.8956000     304.2386      -166.7 
1 1 1 9  25 32 o 22.01000       1.037000      665.0825      116.4  
1 1 1 9  25 33 o 30.51000       1.160000      775.6234      -141.9 
1 1 1 9  25 34 o 6.938000       0.9066000     259.2611      5.6    
1 1 1 9  25 35 o 0.1875000      0.9212000     70.79702      0.9    
1 1 1 9  25 36 o 44.65000       1.521000      935.2955      106.7  
1 1 1 9  25 37 o 6.884000       1.029000      229.2433      137.2  
1 1 1 9  25 38 o 9.156000       1.193000      348.9508      120.6  
1 1 1 9  25 39 o 4.763000       1.075000      264.8260      -112.3 
1 1 1 9  25 40 o 7.814000       1.015000      259.9601      143.6  
1 1 1 9  25 41 o 17.40000       1.133000      545.9775      33.7   
1 1 1 9  25 42 o 5.856000       1.054000      468.0417      -48.5  
1 1 1 9  25 43 o 16.20000       1.298000      497.3675      48.1   
1 1 1 9  25 44 o 5.517000       1.328000      252.6006      6.9    
1 1 1 9  25 45 o 20.52000       1.716000      566.1744      80.5   
1 1 1 9  25 46 o 4.881000       1.499000      220.8217      -145.5 
1 1 1 9  25 47 o 3.336000       1.276000      226.4887      -41.6  
1 1 1 9  25 48 o 1.832000       1.182000      118.9713      -66.7  
1 1 1 9  25 49 o 8.973000       1.277000      381.4900      -66.1  
1 1 1 9  25 50 o 3.625000       1.276000      289.6418      -125.8 
1 1 1 9  25 51 o 1.931000       1.272000      217.5730      59.1   
1 1 1 9  25 52 o 1.717000       1.276000      196.2967      13.2   
1 1 1 9  25 53 o 7.417000       1.469000      450.7215      -138.7 
1 1 1 9  25 54 o 5.800000       1.461000      ?             ?      
1 1 1 9  25 55 o 0.8143000      1.309000      ?             ?      
1 1 1 9  25 56 o 8.540000       1.351000      ?             ?      
1 1 1 9  25 57 o 1.264000       1.293000      ?             ?      
1 1 1 9  25 58 f 8.256000       1.343000      ?             ?      
1 1 1 9  25 59 o 20.01000       1.448000      ?             ?      
1 1 1 9  25 60 o 2.522000       1.720000      ?             ?      
1 1 1 9  25 61 o 2.178000       1.518000      ?             ?      
1 1 1 9  25 62 o 0.2072000E-01  1.620000      ?             ?      
1 1 1 9  25 63 o -0.6893000     1.728000      ?             ?      
1 1 1 9  25 64 o -0.6665000     1.392000      ?             ?      
1 1 1 9  25 65 o 4.714000       1.339000      ?             ?      
1 1 1 9  25 66 o 1.309000       1.328000      ?             ?      
1 1 1 9  25 67 o 0.5730000      1.489000      ?             ?      
1 1 1 9  25 68 o 6.694000       1.572000      ?             ?      
1 1 1 9  25 69 o 1.157000       1.357000      ?             ?      
1 1 1 9  25 70 o 0.7286000      1.371000      ?             ?      
1 1 1 9  26 0  o -1.629000      1.159000      160.8500      -90.0  
1 1 1 9  26 1  o 2.065000       1.037000      178.1906      -135.7 
1 1 1 9  26 2  o 17.64000       1.127000      813.4160      -173.0 
1 1 1 9  26 3  o 1.565000       0.9604000     211.4981      71.9   
1 1 1 9  26 4  o 52.30000       1.477000      1314.885      -114.3 
1 1 1 9  26 5  f 64.14000       1.773000      994.5392      -62.2  
1 1 1 9  26 6  o 66.17000       1.706000      1085.180      -104.3 
1 1 1 9  26 7  o 24.72000       1.020000      807.3274      -175.8 
1 1 1 9  26 8  o 72.49000       1.818000      1214.191      -110.9 
1 1 1 9  26 9  o 1.500000       0.9655000     197.2764      -86.8  
1 1 1 9  26 10 o 103.1000       2.340000      1434.579      -100.5 
1 1 1 9  26 11 o 97.46000       2.491000      1182.215      140.8  
1 1 1 9  26 12 o 25.06000       1.362000      895.5353      -29.6  
1 1 1 9  26 13 o 29.05000       1.368000      720.6461      167.0  
1 1 1 9  26 14 o 24.64000       1.281000      723.4169      149.0  
1 1 1 9  26 15 o 12.60000       1.189000      612.1796      117.0  
1 1 1 9  26 16 o 46.20000       1.710000      992.0088      -43.2  
1 1 1 9  26 17 o 15.23000       1.114000      424.1318      67.9   
1 1 1 9  26 18 o 50.20000       1.902000      898.9661      -179.4 
1 1 1 9  26 19 o 21.60000       1.169000      424.9779      -150.6 
1 1 1 9  26 20 o 24.74000       1.782000      646.2605      -166.2 
1 1 1 9  26 21 o 6.698000       1.033000      298.1603      71.5   
1 1 1 9  26 22 o 18.79000       1.247000      553.3479      -113.6 
1 1 1 9  26 23 o 1.462000       0.9770000     262.7800      11.0   
1 1 1 9  26 24 o 17.74000       1.143000      351.6148      111.1  
1 1 1 9  26 25 o 6.391000       0.8870000     179.4499      1.4    
1 1 1 9  26 26 o 5.639000       0.8930000     437.4861      144.4  
1 1 1 9  26 27 o 13.11000       1.048000      539.8245      111.7  
1 1 1 9  26 28 o 19.11000       1.257000      635.8503      85.3   
1 1 1 9  26 29 o 43.94000       1.518000      1104.365      151.1  
1 1 1 9  26 30 o 54.54000       1.509000      1036.578      -35.8  
1 1 1 9  26 31 o 12.78000       0.9302000     472.6444      -63.4  
1 1 1 9  26 32 o 4.519000       0.8634000     190.9902      97.4   
1 1 1 9  26 33 o 1.639000       0.8507000     65.91004      69.2   
1 1 1 9  26 34 o 1.861000       0.9525000     33.31038      -103.6 
1 1 1 9  26 35 o 9.907000       0.9436000     434.0226      174.4  
1 1 1 9  26 36 o 4.631000       0.9601000     198.5580      174.9  
1 1 1 9  26 37 o 9.487000       1.068000      507.6527      153.3  
1 1 1 9  26 38 o 6.496000       1.067000      267.1375      -160.6 
1 1 1 9  26 39 o 15.02000       1.068000      579.5015      -82.0  
1 1 1 9  26 40 o 5.221000       1.002000      383.4117      51.3   
1 1 1 9  26 41 o 10.66000       1.070000      409.0403      5.1    
1 1 1 9  26 42 o 11.26000       1.104000      438.5982      -157.6 
1 1 1 9  26 43 o 19.28000       1.225000      483.4442      -158.1 
1 1 1 9  26 44 o 12.29000       1.614000      581.0704      -133.9 
1 1 1 9  26 45 o 8.697000       1.298000      307.3972      26.9   
1 1 1 9  26 46 o 20.72000       1.461000      726.8898      41.6   
1 1 1 9  26 47 o 4.127000       1.428000      150.3401      -107.0 
1 1 1 9  26 48 o 3.997000       1.344000      139.1614      -153.7 
1 1 1 9  26 49 o 7.931000       1.280000      467.7373      100.0  
1 1 1 9  26 50 o 9.657000       1.299000      483.1310      168.1  
1 1 1 9  26 51 o 3.489000       1.265000      270.0332      -123.6 
1 1 1 9  26 52 o 27.87000       1.653000      792.0580      2.9    
1 1 1 9  26 53 o 17.08000       1.752000      528.5134      -60.6  
1 1 1 9  26 54 o 1.286000       1.399000      ?             ?      
1 1 1 9  26 55 o 11.46000       1.325000      ?             ?      
1 1 1 9  26 56 o 3.868000       1.285000      ?             ?      
1 1 1 9  26 57 o 0.6307000      1.284000      ?             ?      
1 1 1 9  26 58 o 10.78000       1.473000      ?             ?      
1 1 1 9  26 59 o 7.662000       1.336000      ?             ?      
1 1 1 9  26 60 o 2.004000       1.440000      ?             ?      
1 1 1 9  26 61 o 1.146000       1.504000      ?             ?      
1 1 1 9  26 62 o 2.828000       1.741000      ?             ?      
1 1 1 9  26 63 o 2.488000       1.792000      ?             ?      
1 1 1 9  26 64 o 0.7430000      1.437000      ?             ?      
1 1 1 9  26 65 o 3.372000       1.303000      ?             ?      
1 1 1 9  26 66 o 3.784000       1.484000      ?             ?      
1 1 1 9  26 67 o 3.953000       1.540000      ?             ?      
1 1 1 9  26 68 o 1.185000       1.428000      ?             ?      
1 1 1 9  26 69 o 0.8140000      1.337000      ?             ?      
1 1 1 9  26 70 o 2.497000       1.915000      ?             ?      
1 1 1 9  27 0  o 274.5000       9.078000      2597.908      -90.0  
1 1 1 9  27 1  o 48.89000       1.711000      1335.856      131.9  
1 1 1 9  27 2  o 15.14000       1.176000      509.4713      -164.6 
1 1 1 9  27 3  o 54.65000       1.710000      1015.820      14.4   
1 1 1 9  27 4  o 33.94000       1.470000      785.1451      170.8  
1 1 1 9  27 5  o 18.73000       1.059000      775.8223      -113.4 
1 1 1 9  27 6  o 31.32000       1.076000      1159.699      -4.5   
1 1 1 9  27 7  o 14.97000       1.018000      929.4638      50.0   
1 1 1 9  27 8  o 7.907000       1.015000      571.0552      -29.1  
1 1 1 9  27 9  o 71.67000       2.390000      1193.161      91.1   
1 1 1 9  27 10 o 38.78000       1.404000      1292.132      -151.4 
1 1 1 9  27 11 o 200.9000       4.755000      1830.809      72.6   
1 1 1 9  27 12 o 1.757000       1.006000      232.3304      -78.5  
1 1 1 9  27 13 o 104.0000       2.674000      1451.099      0.6    
1 1 1 9  27 14 o 166.6000       3.532000      1852.097      -136.9 
1 1 1 9  27 15 o 27.70000       1.230000      914.9794      18.5   
1 1 1 9  27 16 o 10.66000       1.056000      506.2530      -81.8  
1 1 1 9  27 17 o 16.68000       1.270000      631.0084      116.6  
1 1 1 9  27 18 o 52.50000       1.903000      1066.783      -54.9  
1 1 1 9  27 19 o 29.24000       1.578000      871.3484      -138.5 
1 1 1 9  27 20 o 74.03000       2.470000      1280.883      161.1  
1 1 1 9  27 21 o 42.01000       1.550000      1003.261      -89.0  
1 1 1 9  27 22 o 53.05000       1.814000      1076.991      87.6   
1 1 1 9  27 23 o 21.46000       1.111000      709.9907      85.1   
1 1 1 9  27 24 o 11.08000       1.005000      378.6484      -122.8 
1 1 1 9  27 25 o 5.076000       1.007000      282.6689      5.2    
1 1 1 9  27 26 o 12.11000       1.181000      656.9813      119.8  
1 1 1 9  27 27 o 8.793000       0.9976000     364.5340      -165.2 
1 1 1 9  27 28 o 60.18000       1.965000      1179.626      -135.5 
1 1 1 9  27 29 o 11.79000       1.271000      405.4413      103.6  
1 1 1 9  27 30 o 16.56000       1.133000      682.2725      -1.7   
1 1 1 9  27 31 o 2.877000       0.8393000     342.1460      -72.4  
1 1 1 9  27 32 o 19.71000       0.9990000     708.9744      149.0  
1 1 1 9  27 33 o 6.044000       0.8784000     359.1370      -136.5 
1 1 1 9  27 34 o 23.54000       1.074000      628.4166      151.3  
1 1 1 9  27 35 o 22.12000       1.079000      717.0026      -166.7 
1 1 1 9  27 36 o 1.235000       0.9591000     38.60575      84.2   
1 1 1 9  27 37 o 6.093000       1.106000      399.3316      -137.0 
1 1 1 9  27 38 o 7.057000       1.034000      417.9180      -157.8 
1 1 1 9  27 39 o -0.2646000     0.9639000     60.27821      12.3   
1 1 1 9  27 40 o 49.12000       1.714000      889.2696      45.4   
1 1 1 9  27 41 o 2.334000       1.022000      211.1905      -25.0  
1 1 1 9  27 42 o 4.959000       1.065000      359.7330      -18.0  
1 1 1 9  27 43 o 41.99000       1.523000      953.8006      -3.9   
1 1 1 9  27 44 o 18.47000       1.387000      618.7370      -131.8 
1 1 1 9  27 45 o 5.658000       1.377000      423.4578      67.3   
1 1 1 9  27 46 o -0.6601000     1.269000      14.53615      -98.2  
1 1 1 9  27 47 o 1.443000       1.347000      231.2741      2.8    
1 1 1 9  27 48 o 4.563000       1.386000      418.0789      -143.8 
1 1 1 9  27 49 o 23.84000       1.441000      704.1714      -40.7  
1 1 1 9  27 50 o 5.303000       1.261000      303.9989      139.2  
1 1 1 9  27 51 o 7.469000       1.293000      435.5699      90.7   
1 1 1 9  27 52 o 4.562000       1.395000      340.4502      -15.8  
1 1 1 9  27 53 o 1.517000       1.390000      ?             ?      
1 1 1 9  27 54 o 5.117000       1.267000      ?             ?      
1 1 1 9  27 55 o 6.290000       1.274000      ?             ?      
1 1 1 9  27 56 o 2.158000       1.396000      ?             ?      
1 1 1 9  27 57 o -0.5811000     1.248000      ?             ?      
1 1 1 9  27 58 o 0.8610000      1.373000      ?             ?      
1 1 1 9  27 59 o 5.921000       1.416000      ?             ?      
1 1 1 9  27 60 o 5.243000       1.433000      ?             ?      
1 1 1 9  27 61 o 7.877000       1.444000      ?             ?      
1 1 1 9  27 62 o 3.171000       1.495000      ?             ?      
1 1 1 9  27 63 o 4.792000       1.677000      ?             ?      
1 1 1 9  27 64 o 1.269000       1.565000      ?             ?      
1 1 1 9  27 65 o 0.9646000      1.375000      ?             ?      
1 1 1 9  27 66 o 1.973000       1.478000      ?             ?      
1 1 1 9  27 67 o 0.6124000      1.527000      ?             ?      
1 1 1 9  27 68 o 0.2763000      1.354000      ?             ?      
1 1 1 9  27 69 o -3.058000      1.871000      ?             ?      
1 1 1 9  28 0  o 80.12000       3.759000      1367.788      -90.0  
1 1 1 9  28 1  o 50.43000       2.387000      999.3058      -129.9 
1 1 1 9  28 2  o 27.37000       1.233000      673.9667      -162.7 
1 1 1 9  28 3  o 162.0000       4.206000      1615.651      -121.1 
1 1 1 9  28 4  o 7.893000       1.071000      336.2788      94.9   
1 1 1 9  28 5  o 45.50000       1.434000      916.1997      -99.1  
1 1 1 9  28 6  o 27.13000       1.128000      680.1017      157.9  
1 1 1 9  28 7  o 52.83000       1.387000      829.5519      155.2  
1 1 1 9  28 8  o 15.55000       1.121000      587.4111      -133.3 
1 1 1 9  28 9  o 30.51000       1.275000      721.3099      175.7  
1 1 1 9  28 10 o 6.106000       1.244000      329.5736      -49.6  
1 1 1 9  28 11 o 10.38000       1.031000      337.6357      -6.0   
1 1 1 9  28 12 o 38.97000       1.493000      962.1921      12.0   
1 1 1 9  28 13 o 13.62000       1.206000      462.6566      110.0  
1 1 1 9  28 14 o 124.0000       3.056000      1363.490      64.2   
1 1 1 9  28 15 o 33.66000       1.329000      633.3871      -126.7 
1 1 1 9  28 16 o 10.65000       1.037000      459.4406      155.5  
1 1 1 9  28 17 o 100.9000       2.381000      1585.292      47.3   
1 1 1 9  28 18 o 10.64000       1.288000      170.1186      -20.6  
1 1 1 9  28 19 o 14.18000       1.149000      595.9296      -157.7 
1 1 1 9  28 20 o 6.055000       1.384000      315.1268      -67.6  
1 1 1 9  28 21 o 92.44000       2.255000      1310.847      160.5  
1 1 1 9  28 22 o 20.19000       1.030000      779.2351      -116.7 
1 1 1 9  28 23 o 15.29000       1.034000      458.1664      -59.5  
1 1 1 9  28 24 o 16.69000       1.099000      776.9363      -151.4 
1 1 1 9  28 25 o 35.96000       1.445000      1058.213      -20.1  
1 1 1 9  28 26 o 1.735000       0.8222000     261.5954      179.4  
1 1 1 9  28 27 o 16.35000       0.9836000     501.3502      24.9   
1 1 1 9  28 28 o 15.16000       1.144000      597.0081      -154.4 
1 1 1 9  28 29 o 26.30000       1.543000      756.3770      131.1  
1 1 1 9  28 30 o 68.63000       1.987000      1167.353      -33.9  
1 1 1 9  28 31 o 20.24000       1.075000      655.9161      -128.5 
1 1 1 9  28 32 o 35.62000       1.285000      677.2556      -78.0  
1 1 1 9  28 33 o 23.36000       1.059000      717.6870      -43.6  
1 1 1 9  28 34 o 16.08000       0.9838000     519.7144      -34.3  
1 1 1 9  28 35 o 19.82000       1.089000      656.9313      156.3  
1 1 1 9  28 36 o 27.86000       1.367000      715.1391      -20.6  
1 1 1 9  28 37 o 17.70000       1.176000      638.5528      120.7  
1 1 1 9  28 38 o 12.93000       1.034000      347.4198      -61.9  
1 1 1 9  28 39 o 8.048000       1.020000      431.4688      -132.2 
1 1 1 9  28 40 o 4.017000       1.016000      275.3313      -42.5  
1 1 1 9  28 41 o 5.065000       1.045000      325.7370      -40.6  
1 1 1 9  28 42 o 6.777000       1.095000      418.8369      101.2  
1 1 1 9  28 43 o 13.39000       1.181000      445.0019      -45.5  
1 1 1 9  28 44 o 2.012000       1.131000      295.7310      126.9  
1 1 1 9  28 45 o 1.885000       1.244000      156.1373      21.3   
1 1 1 9  28 46 o 1.128000       1.302000      423.5665      40.8   
1 1 1 9  28 47 o 24.68000       1.911000      558.0651      -117.5 
1 1 1 9  28 48 o 27.28000       1.776000      763.6153      109.3  
1 1 1 9  28 49 o 6.622000       1.420000      395.8039      -21.5  
1 1 1 9  28 50 o 2.508000       1.244000      58.66517      -137.9 
1 1 1 9  28 51 o -0.3528000     1.387000      68.74803      114.3  
1 1 1 9  28 52 o 20.75000       1.795000      ?             ?      
1 1 1 9  28 53 o 4.560000       1.389000      ?             ?      
1 1 1 9  28 54 o 3.642000       1.376000      ?             ?      
1 1 1 9  28 55 o 12.25000       1.315000      ?             ?      
1 1 1 9  28 56 o 6.507000       1.424000      ?             ?      
1 1 1 9  28 57 o 1.666000       1.351000      ?             ?      
1 1 1 9  28 58 o 0.9448000      1.360000      ?             ?      
1 1 1 9  28 59 o 12.41000       1.464000      ?             ?      
1 1 1 9  28 60 o -1.461000      1.249000      ?             ?      
1 1 1 9  28 61 o -1.467000      1.247000      ?             ?      
1 1 1 9  28 62 o 0.6584000E-01  1.377000      ?             ?      
1 1 1 9  28 63 o 3.269000       1.665000      ?             ?      
1 1 1 9  28 64 o 4.110000       1.572000      ?             ?      
1 1 1 9  28 65 o 2.049000       1.690000      ?             ?      
1 1 1 9  28 66 o 4.286000       1.522000      ?             ?      
1 1 1 9  28 67 o 0.9783000      1.424000      ?             ?      
1 1 1 9  28 68 o 3.013000       1.355000      ?             ?      
1 1 1 9  28 69 o 2.626000       1.897000      ?             ?      
1 1 1 9  29 1  o 16.77000       1.178000      655.3755      76.2   
1 1 1 9  29 2  o 302.2000       6.081000      2539.348      -57.3  
1 1 1 9  29 3  o 135.9000       3.178000      1922.949      170.1  
1 1 1 9  29 4  o 79.19000       2.182000      1280.119      -162.4 
1 1 1 9  29 5  o 27.63000       1.467000      815.2266      160.6  
1 1 1 9  29 6  o 234.3000       5.137000      2105.235      -34.9  
1 1 1 9  29 7  o 19.21000       1.186000      400.3395      146.3  
1 1 1 9  29 8  o 39.43000       1.393000      921.3896      154.7  
1 1 1 9  29 9  o 29.35000       1.142000      895.4386      97.6   
1 1 1 9  29 10 o 1.079000       1.028000      146.6597      55.0   
1 1 1 9  29 11 o 81.54000       2.278000      1366.852      63.2   
1 1 1 9  29 12 o 26.52000       1.328000      725.6644      15.4   
1 1 1 9  29 13 f 7.161000       1.118000      523.1481      161.0  
1 1 1 9  29 14 o 13.56000       1.138000      996.0948      -120.7 
1 1 1 9  29 15 o 33.17000       1.411000      864.5129      -0.8   
1 1 1 9  29 16 o 23.09000       1.177000      796.5328      170.0  
1 1 1 9  29 17 o 26.37000       1.438000      537.8704      116.2  
1 1 1 9  29 18 o 14.51000       1.322000      344.2254      17.7   
1 1 1 9  29 19 o 28.86000       1.337000      740.2411      -84.4  
1 1 1 9  29 20 o 28.47000       1.527000      640.5414      -50.1  
1 1 1 9  29 21 o -0.7770000     1.136000      190.2740      103.4  
1 1 1 9  29 22 o 24.84000       1.405000      746.6631      -58.7  
1 1 1 9  29 23 o 2.495000       0.8326000     659.5964      -16.5  
1 1 1 9  29 24 o 21.39000       1.434000      777.3286      85.4   
1 1 1 9  29 25 o 1.738000       0.8501000     110.9170      -27.0  
1 1 1 9  29 26 o 63.08000       1.693000      1053.897      -157.7 
1 1 1 9  29 27 o 85.09000       2.377000      1245.447      -75.6  
1 1 1 9  29 28 o 23.26000       1.085000      698.4650      119.6  
1 1 1 9  29 29 o 40.67000       1.451000      1067.689      26.7   
1 1 1 9  29 30 o 14.22000       1.352000      514.3303      -147.2 
1 1 1 9  29 31 o 3.178000       1.361000      193.0801      13.7   
1 1 1 9  29 32 o 5.437000       0.9362000     369.8275      -84.3  
1 1 1 9  29 33 o 8.422000       0.8914000     358.6545      -46.0  
1 1 1 9  29 34 o 13.02000       0.9758000     482.4789      141.2  
1 1 1 9  29 35 o 24.16000       1.196000      698.0960      37.2   
1 1 1 9  29 36 o 6.814000       1.086000      342.5916      -81.1  
1 1 1 9  29 37 o 5.447000       0.9927000     286.8324      90.2   
1 1 1 9  29 38 o 35.39000       1.310000      891.7645      -62.5  
1 1 1 9  29 39 o 45.38000       1.494000      1100.819      -30.1  
1 1 1 9  29 40 o -0.6727000     1.009000      100.4429      106.7  
1 1 1 9  29 41 o 11.49000       1.120000      620.3523      132.7  
1 1 1 9  29 42 o 23.62000       1.276000      603.8849      24.8   
1 1 1 9  29 43 o 8.825000       1.145000      448.3208      -68.2  
1 1 1 9  29 44 o 17.97000       1.247000      692.0272      -154.7 
1 1 1 9  29 45 o 12.17000       1.330000      360.3591      95.5   
1 1 1 9  29 46 o 5.247000       1.408000      249.8277      35.1   
1 1 1 9  29 47 o 4.431000       1.347000      413.9003      -5.2   
1 1 1 9  29 48 o 4.070000       1.408000      253.7648      63.0   
1 1 1 9  29 49 o 7.819000       1.576000      400.6063      111.8  
1 1 1 9  29 50 o 12.21000       1.505000      633.2787      124.8  
1 1 1 9  29 51 o 34.88000       2.064000      741.9039      15.4   
1 1 1 9  29 52 o 5.885000       1.645000      ?             ?      
1 1 1 9  29 53 o 5.845000       1.271000      ?             ?      
1 1 1 9  29 54 o -0.3800000     1.624000      ?             ?      
1 1 1 9  29 55 o 14.71000       1.476000      ?             ?      
1 1 1 9  29 56 o 0.2508000      1.359000      ?             ?      
1 1 1 9  29 57 o 3.057000       1.360000      ?             ?      
1 1 1 9  29 58 o -0.3087000     1.208000      ?             ?      
1 1 1 9  29 59 o 3.889000       1.217000      ?             ?      
1 1 1 9  29 60 o 3.713000       1.235000      ?             ?      
1 1 1 9  29 61 o 2.588000       1.239000      ?             ?      
1 1 1 9  29 63 o -0.9059000     1.745000      ?             ?      
1 1 1 9  29 64 o 1.661000       1.712000      ?             ?      
1 1 1 9  29 65 o 0.5993000      1.855000      ?             ?      
1 1 1 9  29 66 o -0.1990000     2.166000      ?             ?      
1 1 1 9  29 68 o 0.2018000      1.328000      ?             ?      
1 1 1 9  30 0  o 74.33000       3.510000      1081.220      -90.0  
1 1 1 9  30 1  o 28.06000       1.206000      902.5999      -92.9  
1 1 1 9  30 2  o 269.4000       5.883000      1919.460      -152.4 
1 1 1 9  30 3  o 25.38000       1.365000      864.2861      -165.7 
1 1 1 9  30 4  o 115.1000       2.761000      1703.200      -175.3 
1 1 1 9  30 5  o 3.615000       1.013000      447.4722      -11.4  
1 1 1 9  30 6  o 62.00000       1.871000      1142.006      157.9  
1 1 1 9  30 7  o 16.98000       1.007000      686.4902      0.9    
1 1 1 9  30 8  o 12.32000       0.9064000     330.4803      -171.5 
1 1 1 9  30 9  o 0.7857000      0.8448000     329.4997      107.3  
1 1 1 9  30 10 o 2.499000       0.9601000     183.4571      120.9  
1 1 1 9  30 11 o 22.79000       1.124000      835.0353      -123.3 
1 1 1 9  30 12 o 136.3000       3.524000      1449.505      72.7   
1 1 1 9  30 13 o 21.99000       1.236000      623.0494      42.9   
1 1 1 9  30 14 o 49.84000       1.695000      936.0160      -17.6  
1 1 1 9  30 15 o 26.24000       1.323000      762.3141      -29.1  
1 1 1 9  30 16 o 78.36000       2.899000      1212.298      68.8   
1 1 1 9  30 17 o 106.7000       3.133000      1604.305      70.8   
1 1 1 9  30 18 o 27.19000       1.299000      604.3870      62.5   
1 1 1 9  30 19 o 34.62000       1.377000      718.2992      171.5  
1 1 1 9  30 20 o 87.88000       2.493000      1308.342      35.5   
1 1 1 9  30 21 o 15.27000       1.318000      639.6387      141.8  
1 1 1 9  30 22 o 123.1000       3.233000      1653.304      -94.3  
1 1 1 9  30 23 o 24.97000       1.066000      644.9480      -70.4  
1 1 1 9  30 24 o 2.069000       0.8408000     149.6585      -68.3  
1 1 1 9  30 25 o 21.96000       1.069000      666.2189      26.4   
1 1 1 9  30 26 o 3.787000       1.083000      277.7789      38.5   
1 1 1 9  30 27 o 0.9522000      0.7780000     167.5188      -98.3  
1 1 1 9  30 28 o 4.791000       0.8042000     246.8011      -161.4 
1 1 1 9  30 29 o 8.463000       0.8618000     405.9142      -104.6 
1 1 1 9  30 30 o 39.96000       1.598000      840.5619      -41.7  
1 1 1 9  30 31 o 28.26000       1.545000      687.2609      -93.7  
1 1 1 9  30 32 o 55.45000       1.735000      968.0314      49.6   
1 1 1 9  30 33 o 27.43000       1.266000      841.8293      1.2    
1 1 1 9  30 34 o 1.279000       0.9533000     324.6957      155.1  
1 1 1 9  30 35 o 6.642000       1.105000      249.1183      92.1   
1 1 1 9  30 36 o 11.12000       1.090000      430.8979      -25.2  
1 1 1 9  30 37 o 1.081000       0.9732000     122.0453      -156.9 
1 1 1 9  30 38 o 53.26000       1.689000      1191.284      -26.3  
1 1 1 9  30 39 o 2.413000       1.166000      270.1508      -122.9 
1 1 1 9  30 40 o 3.796000       1.040000      291.3198      -16.8  
1 1 1 9  30 41 o 18.83000       1.215000      609.7003      -86.9  
1 1 1 9  30 42 o 39.50000       1.510000      900.2954      148.7  
1 1 1 9  30 43 o 18.99000       1.259000      556.8706      -91.3  
1 1 1 9  30 44 o 12.79000       1.203000      541.8354      161.6  
1 1 1 9  30 45 o 20.89000       1.451000      663.4510      5.2    
1 1 1 9  30 46 o -0.5008000     1.290000      154.4533      173.2  
1 1 1 9  30 47 o 14.50000       1.519000      515.8618      167.9  
1 1 1 9  30 48 o 17.58000       1.854000      590.2988      144.2  
1 1 1 9  30 49 o 7.490000       1.582000      509.4887      -36.3  
1 1 1 9  30 50 o 33.10000       1.987000      774.3803      81.5   
1 1 1 9  30 51 o 1.362000       1.577000      ?             ?      
1 1 1 9  30 52 o -0.3757000     2.248000      ?             ?      
1 1 1 9  30 53 o 8.354000       1.395000      ?             ?      
1 1 1 9  30 54 o 10.37000       1.439000      ?             ?      
1 1 1 9  30 55 o 22.48000       1.732000      ?             ?      
1 1 1 9  30 56 o 17.39000       1.344000      ?             ?      
1 1 1 9  30 57 o 2.284000       1.203000      ?             ?      
1 1 1 9  30 58 o 1.845000       1.199000      ?             ?      
1 1 1 9  30 59 o 1.581000       1.202000      ?             ?      
1 1 1 9  30 60 o 2.985000       1.229000      ?             ?      
1 1 1 9  30 61 o 9.865000       1.292000      ?             ?      
1 1 1 9  30 62 o 0.5082000      1.266000      ?             ?      
1 1 1 9  30 63 o 1.155000       1.411000      ?             ?      
1 1 1 9  30 64 o 5.824000       1.643000      ?             ?      
1 1 1 9  30 65 o 0.6087000      1.706000      ?             ?      
1 1 1 9  30 66 o 2.145000       1.570000      ?             ?      
1 1 1 9  30 67 o -0.5233000     1.297000      ?             ?      
1 1 1 9  30 68 o 0.5195000      1.326000      ?             ?      
1 1 1 9  31 0  o 170.3000       5.791000      1961.673      -90.0  
1 1 1 9  31 1  o 41.47000       1.418000      813.4207      -82.6  
1 1 1 9  31 2  o 31.50000       1.199000      923.4703      -73.2  
1 1 1 9  31 3  o 60.59000       1.734000      760.0428      42.9   
1 1 1 9  31 4  o 43.40000       1.658000      1246.063      -144.7 
1 1 1 9  31 5  o 155.0000       3.774000      1498.360      -95.6  
1 1 1 9  31 6  o 157.0000       3.823000      1784.147      56.6   
1 1 1 9  31 7  o 138.5000       3.184000      1504.400      -99.9  
1 1 1 9  31 8  o 31.55000       1.099000      707.5135      25.5   
1 1 1 9  31 9  o 8.714000       0.8812000     488.7322      -80.5  
1 1 1 9  31 10 o 38.00000       1.310000      986.0135      102.6  
1 1 1 9  31 11 o 0.8239000      0.9442000     73.73530      125.8  
1 1 1 9  31 12 o 22.64000       1.275000      781.4399      134.9  
1 1 1 9  31 13 o 18.56000       1.165000      816.8984      104.3  
1 1 1 9  31 14 o 15.10000       1.135000      587.5704      36.3   
1 1 1 9  31 15 o 202.7000       4.935000      1953.262      -137.0 
1 1 1 9  31 16 o 119.1000       4.042000      1648.348      123.7  
1 1 1 9  31 17 o 5.536000       1.453000      341.7874      126.6  
1 1 1 9  31 18 o 8.230000       1.339000      593.9656      -21.0  
1 1 1 9  31 19 o 16.42000       1.396000      634.4130      177.4  
1 1 1 9  31 20 o 9.065000       1.021000      440.3060      -45.3  
1 1 1 9  31 21 o 14.11000       1.071000      521.9592      -9.9   
1 1 1 9  31 22 o 45.74000       1.700000      1071.208      -53.7  
1 1 1 9  31 23 o 45.35000       1.643000      1074.349      -16.4  
1 1 1 9  31 24 o 31.43000       1.137000      742.2345      113.2  
1 1 1 9  31 25 o 1.916000       0.8275000     404.8192      -127.5 
1 1 1 9  31 26 o 10.92000       0.9186000     605.0273      170.7  
1 1 1 9  31 27 o 7.941000       0.8731000     178.7962      -19.2  
1 1 1 9  31 28 o 6.360000       0.7895000     530.7932      69.3   
1 1 1 9  31 29 o 2.056000       0.7853000     378.7555      -96.2  
1 1 1 9  31 30 o 1.360000       0.9453000     409.2762      -119.0 
1 1 1 9  31 31 o 22.65000       1.172000      846.6574      -136.0 
1 1 1 9  31 32 o 3.725000       1.150000      278.2104      143.3  
1 1 1 9  31 33 o 14.74000       1.166000      383.5386      68.4   
1 1 1 9  31 34 o 15.05000       1.113000      600.3845      37.7   
1 1 1 9  31 35 o 50.26000       1.841000      1093.278      -10.0  
1 1 1 9  31 36 o 34.40000       1.439000      921.5432      -98.4  
1 1 1 9  31 37 o 20.02000       1.220000      772.7753      4.9    
1 1 1 9  31 38 o 21.73000       1.302000      509.2596      8.6    
1 1 1 9  31 39 o 47.12000       1.555000      1020.582      -16.4  
1 1 1 9  31 40 o 38.51000       1.525000      903.4471      134.5  
1 1 1 9  31 41 o 14.26000       1.237000      596.3115      84.0   
1 1 1 9  31 42 o 11.32000       1.229000      556.6882      -9.9   
1 1 1 9  31 43 o 18.52000       1.271000      624.2131      -133.7 
1 1 1 9  31 44 o 4.637000       1.332000      378.6811      16.1   
1 1 1 9  31 45 o -0.9535000     1.171000      175.1420      -100.0 
1 1 1 9  31 46 o 25.15000       1.511000      744.8452      128.0  
1 1 1 9  31 47 o -0.7530000     1.453000      160.0173      -84.6  
1 1 1 9  31 48 o 48.27000       2.063000      ?             ?      
1 1 1 9  31 49 o -3.505000      1.374000      211.5034      -154.4 
1 1 1 9  31 50 o 27.34000       2.865000      ?             ?      
1 1 1 9  31 51 o 11.25000       1.861000      ?             ?      
1 1 1 9  31 53 o 9.757000       1.278000      ?             ?      
1 1 1 9  31 54 o 5.846000       1.237000      ?             ?      
1 1 1 9  31 55 o 6.745000       1.240000      ?             ?      
1 1 1 9  31 56 o 2.196000       1.203000      ?             ?      
1 1 1 9  31 57 o 8.837000       1.240000      ?             ?      
1 1 1 9  31 58 o 0.9387000      1.184000      ?             ?      
1 1 1 9  31 59 o 5.527000       1.219000      ?             ?      
1 1 1 9  31 60 o 1.395000       1.213000      ?             ?      
1 1 1 9  31 61 o 3.675000       1.253000      ?             ?      
1 1 1 9  31 63 o 0.7971000      1.529000      ?             ?      
1 1 1 9  31 64 o -1.127000      1.767000      ?             ?      
1 1 1 9  31 65 o 3.656000       1.924000      ?             ?      
1 1 1 9  31 66 o 3.101000       1.570000      ?             ?      
1 1 1 9  31 67 o 3.105000       1.459000      ?             ?      
1 1 1 9  32 0  o 31.48000       1.749000      885.5740      -90.0  
1 1 1 9  32 1  o 5.349000       0.8895000     298.8885      -143.3 
1 1 1 9  32 2  o 40.98000       1.389000      1103.915      175.7  
1 1 1 9  32 3  o 118.0000       2.787000      1506.250      30.4   
1 1 1 9  32 4  o 70.42000       1.895000      1085.600      121.0  
1 1 1 9  32 5  o 24.48000       1.285000      647.5101      -98.4  
1 1 1 9  32 6  o 49.29000       1.759000      944.9890      131.6  
1 1 1 9  32 7  o 36.35000       1.273000      1116.266      62.0   
1 1 1 9  32 8  o 13.15000       0.9424000     637.9144      77.9   
1 1 1 9  32 9  o 27.03000       1.124000      731.2334      -177.2 
1 1 1 9  32 10 o 10.19000       1.052000      561.3092      -137.8 
1 1 1 9  32 11 o 90.77000       2.487000      1361.089      -117.1 
1 1 1 9  32 12 o 18.08000       1.062000      360.7846      -70.1  
1 1 1 9  32 13 o 40.48000       1.481000      830.9549      -109.3 
1 1 1 9  32 14 o 15.01000       1.116000      719.3098      -82.4  
1 1 1 9  32 15 o 9.333000       1.438000      682.5530      107.0  
1 1 1 9  32 16 o 2.111000       1.389000      458.7576      -75.7  
1 1 1 9  32 17 o 57.99000       1.922000      984.5767      165.9  
1 1 1 9  32 18 o 64.40000       2.842000      1396.773      7.6    
1 1 1 9  32 19 o 24.23000       1.320000      844.0604      58.7   
1 1 1 9  32 20 o 31.18000       1.256000      812.5762      -32.1  
1 1 1 9  32 21 o 71.14000       2.192000      1290.583      152.5  
1 1 1 9  32 22 o 7.834000       0.9882000     330.4992      -174.9 
1 1 1 9  32 23 o 20.14000       1.256000      631.7123      -154.8 
1 1 1 9  32 24 o 10.90000       1.161000      434.0271      51.6   
1 1 1 9  32 25 o 21.62000       1.035000      452.0124      -102.3 
1 1 1 9  32 26 o -0.2671000     0.8224000     146.2962      -119.9 
1 1 1 9  32 27 o -0.1913000     0.8088000     245.8567      -109.1 
1 1 1 9  32 28 o 17.97000       0.9797000     787.0820      23.3   
1 1 1 9  32 29 o 24.11000       1.032000      847.7307      -95.3  
1 1 1 9  32 30 o 31.65000       1.153000      868.7440      -69.6  
1 1 1 9  32 31 o 2.066000       0.9626000     266.2232      52.7   
1 1 1 9  32 32 o 20.26000       1.153000      778.5421      7.4    
1 1 1 9  32 33 o 4.922000       1.306000      229.2374      6.2    
1 1 1 9  32 34 o 6.928000       1.267000      352.4102      50.2   
1 1 1 9  32 35 o 7.654000       1.015000      372.3701      -35.8  
1 1 1 9  32 36 o 12.66000       1.052000      604.1011      28.4   
1 1 1 9  32 37 f 1.352000       0.9828000     93.88873      -131.2 
1 1 1 9  32 38 o 4.417000       1.001000      303.8509      -53.8  
1 1 1 9  32 39 o 25.84000       1.275000      662.0294      -171.9 
1 1 1 9  32 40 o 73.09000       2.374000      ?             ?      
1 1 1 9  32 41 o 86.39000       2.671000      ?             ?      
1 1 1 9  32 42 o 30.41000       1.406000      954.8925      124.0  
1 1 1 9  32 43 o 19.72000       1.335000      542.2026      -1.4   
1 1 1 9  32 44 o 7.742000       1.227000      412.7943      -83.6  
1 1 1 9  32 45 o 2.255000       1.357000      212.5220      -62.5  
1 1 1 9  32 46 o 38.30000       1.746000      1092.160      -168.9 
1 1 1 9  32 47 o 37.78000       1.948000      1018.078      129.8  
1 1 1 9  32 48 o 6.794000       1.821000      403.5912      -38.4  
1 1 1 9  32 49 o 6.567000       1.507000      ?             ?      
1 1 1 9  32 50 o 15.50000       2.256000      ?             ?      
1 1 1 9  32 51 o 3.816000       1.839000      ?             ?      
1 1 1 9  32 52 o -1.672000      1.185000      ?             ?      
1 1 1 9  32 53 o 1.466000       1.182000      ?             ?      
1 1 1 9  32 54 o 1.299000       1.177000      ?             ?      
1 1 1 9  32 55 o 3.825000       1.197000      ?             ?      
1 1 1 9  32 56 o 8.134000       1.237000      ?             ?      
1 1 1 9  32 57 o 8.371000       1.225000      ?             ?      
1 1 1 9  32 58 o 7.214000       1.228000      ?             ?      
1 1 1 9  32 59 o 0.2119000      1.211000      ?             ?      
1 1 1 9  32 60 o 3.944000       1.230000      ?             ?      
1 1 1 9  32 62 o 3.000000       1.254000      ?             ?      
1 1 1 9  32 63 o 0.6944000      1.381000      ?             ?      
1 1 1 9  32 64 o 0.4901000      1.623000      ?             ?      
1 1 1 9  32 65 o 0.4233000      1.452000      ?             ?      
1 1 1 9  33 0  o 3.503000       1.113000      494.0635      90.0   
1 1 1 9  33 1  o 12.93000       0.8811000     438.4727      -52.6  
1 1 1 9  33 2  o 10.30000       0.9272000     541.2117      -133.4 
1 1 1 9  33 3  o 29.58000       1.139000      740.6959      -113.0 
1 1 1 9  33 4  o 66.15000       1.627000      1241.614      -107.8 
1 1 1 9  33 5  o 7.930000       0.9003000     621.7291      -42.1  
1 1 1 9  33 6  o 52.83000       1.636000      1078.806      66.6   
1 1 1 9  33 7  o 85.30000       2.276000      1269.968      -61.7  
1 1 1 9  33 8  o 50.19000       1.575000      951.4694      159.9  
1 1 1 9  33 9  o 4.706000       0.9688000     124.4081      15.5   
1 1 1 9  33 10 o 174.5000       4.453000      1733.444      12.6   
1 1 1 9  33 11 o 20.04000       1.095000      526.3442      -133.6 
1 1 1 9  33 12 o 3.455000       0.9112000     364.6938      174.7  
1 1 1 9  33 13 o 35.85000       1.410000      966.4231      -61.5  
1 1 1 9  33 14 o 90.54000       2.500000      1425.865      -161.7 
1 1 1 9  33 15 o 53.21000       2.285000      1067.642      -93.2  
1 1 1 9  33 16 o 49.25000       2.238000      1101.037      89.8   
1 1 1 9  33 17 f 56.42000       2.582000      1413.484      1.4    
1 1 1 9  33 18 o 44.87000       2.358000      954.7646      -157.8 
1 1 1 9  33 19 o 7.095000       1.107000      397.4986      -121.3 
1 1 1 9  33 20 o 45.08000       1.614000      833.6925      -88.8  
1 1 1 9  33 21 o 28.72000       1.363000      634.4904      23.0   
1 1 1 9  33 22 o 19.74000       1.251000      583.0527      -103.0 
1 1 1 9  33 23 o 5.383000       0.9331000     386.8628      -118.1 
1 1 1 9  33 24 f 27.88000       1.374000      806.9949      -54.2  
1 1 1 9  33 25 o 0.2744000E-01  1.063000      92.48776      -167.6 
1 1 1 9  33 26 o 10.94000       0.9124000     473.0619      144.3  
1 1 1 9  33 27 o 1.679000       0.8118000     119.9198      161.4  
1 1 1 9  33 28 o 6.454000       0.8404000     502.6625      13.3   
1 1 1 9  33 29 o 3.177000       0.7543000     256.2882      -45.4  
1 1 1 9  33 30 o 14.50000       0.9514000     487.8314      -52.1  
1 1 1 9  33 31 o 3.880000       0.7943000     156.5638      -159.1 
1 1 1 9  33 32 o 4.247000       0.9849000     543.8932      98.9   
1 1 1 9  33 33 o 18.20000       1.561000      735.4328      27.2   
1 1 1 9  33 34 o -1.705000      1.289000      113.6794      127.7  
1 1 1 9  33 35 o 11.83000       1.019000      484.1722      -10.9  
1 1 1 9  33 36 o 37.01000       1.323000      916.0024      -108.7 
1 1 1 9  33 37 o 17.96000       1.081000      695.3809      47.7   
1 1 1 9  33 38 o 0.2641000      0.9732000     187.5606      127.9  
1 1 1 9  33 39 o 9.915000       1.139000      495.9669      -24.2  
1 1 1 9  33 40 o 7.361000       1.171000      453.4402      105.3  
1 1 1 9  33 41 o 8.240000       1.135000      361.1843      144.4  
1 1 1 9  33 42 o 22.48000       1.296000      729.5715      8.6    
1 1 1 9  33 43 o -0.9871000     1.685000      136.8854      28.2   
1 1 1 9  33 44 o 1.014000       1.331000      255.2407      -179.1 
1 1 1 9  33 45 o 31.55000       1.643000      882.4339      -85.1  
1 1 1 9  33 46 o 1.830000       1.671000      158.6245      155.9  
1 1 1 9  33 47 o 5.999000       1.424000      403.6900      7.4    
1 1 1 9  33 48 o 10.52000       1.727000      ?             ?      
1 1 1 9  33 49 o 29.30000       2.859000      ?             ?      
1 1 1 9  33 50 o 18.41000       2.011000      ?             ?      
1 1 1 9  33 51 o 17.20000       1.626000      ?             ?      
1 1 1 9  33 52 o 5.572000       1.350000      ?             ?      
1 1 1 9  33 53 o 6.069000       1.183000      ?             ?      
1 1 1 9  33 55 o 7.253000       1.212000      ?             ?      
1 1 1 9  33 56 o -1.417000      1.145000      ?             ?      
1 1 1 9  33 57 o 5.125000       1.197000      ?             ?      
1 1 1 9  33 58 o 5.050000       1.202000      ?             ?      
1 1 1 9  33 59 o 6.797000       1.236000      ?             ?      
1 1 1 9  33 60 o 7.329000       1.272000      ?             ?      
1 1 1 9  33 61 o 3.160000       1.235000      ?             ?      
1 1 1 9  33 62 o 0.5371000      1.297000      ?             ?      
1 1 1 9  33 63 o 1.190000       1.518000      ?             ?      
1 1 1 9  33 64 o 0.4752000E-01  1.606000      ?             ?      
1 1 1 9  33 66 o 4.693000       1.850000      ?             ?      
1 1 1 9  34 0  o 13.24000       1.181000      837.0921      90.0   
1 1 1 9  34 1  o 13.97000       0.8926000     439.7138      -179.1 
1 1 1 9  34 2  o 1.595000       0.8547000     133.2592      36.8   
1 1 1 9  34 3  o 41.04000       1.304000      802.3706      -29.2  
1 1 1 9  34 4  o -1.565000      0.7430000     210.1157      33.8   
1 1 1 9  34 5  o 16.80000       0.9554000     674.7250      70.7   
1 1 1 9  34 6  o 17.48000       0.9941000     705.2103      117.7  
1 1 1 9  34 7  o 6.435000       0.9382000     228.7150      7.4    
1 1 1 9  34 8  o -0.1377000     0.8391000     133.9031      60.3   
1 1 1 9  34 9  o 22.44000       1.114000      858.8403      -149.2 
1 1 1 9  34 10 o 2.245000       0.9362000     391.8992      -170.4 
1 1 1 9  34 11 o 2.621000       0.8834000     276.0382      -105.5 
1 1 1 9  34 12 o 0.8531000      0.8688000     475.5982      -88.3  
1 1 1 9  34 13 o 12.80000       1.076000      430.5694      -111.3 
1 1 1 9  34 14 o -2.979000      1.326000      163.1678      -52.0  
1 1 1 9  34 15 o 17.21000       1.519000      700.1531      -149.5 
1 1 1 9  34 16 o -0.4768000     1.032000      256.2546      104.8  
1 1 1 9  34 17 o 7.182000       1.546000      483.4865      -31.2  
1 1 1 9  34 18 o 22.75000       1.716000      671.6577      62.9   
1 1 1 9  34 19 o 29.26000       1.364000      828.9836      -122.5 
1 1 1 9  34 20 o 21.72000       1.247000      704.2128      -140.0 
1 1 1 9  34 21 o 15.50000       1.016000      692.6318      -169.7 
1 1 1 9  34 22 o 1.699000       0.9141000     9.683486      -173.7 
1 1 1 9  34 23 o 1.488000       0.9268000     383.2242      50.3   
1 1 1 9  34 24 o 7.731000       0.9513000     434.4999      23.8   
1 1 1 9  34 25 o 3.347000       1.088000      293.2830      -101.0 
1 1 1 9  34 26 o 3.469000       1.110000      389.7983      -156.7 
1 1 1 9  34 27 o 17.83000       1.359000      637.5683      51.6   
1 1 1 9  34 28 o 12.91000       0.9631000     333.6073      117.6  
1 1 1 9  34 29 o 18.94000       1.064000      841.8893      -61.0  
1 1 1 9  34 30 o 2.421000       0.7351000     212.4650      73.9   
1 1 1 9  34 31 o 12.16000       0.9329000     521.8160      173.7  
1 1 1 9  34 32 o 15.17000       1.091000      598.6899      14.9   
1 1 1 9  34 33 o 7.389000       1.328000      369.9533      91.0   
1 1 1 9  34 34 o 7.431000       1.455000      472.3736      -129.7 
1 1 1 9  34 35 o 2.711000       1.161000      238.7254      -10.8  
1 1 1 9  34 36 o 7.680000       0.9718000     485.0009      29.1   
1 1 1 9  34 37 o 16.61000       1.070000      612.3697      -60.7  
1 1 1 9  34 38 o 1.310000       0.9690000     233.5383      93.6   
1 1 1 9  34 39 o 37.21000       1.408000      840.7664      -11.6  
1 1 1 9  34 40 o 13.95000       1.231000      558.7772      27.3   
1 1 1 9  34 41 o 15.26000       1.313000      672.1739      -167.5 
1 1 1 9  34 42 o 2.129000       1.160000      244.5352      133.4  
1 1 1 9  34 43 o 5.495000       1.480000      338.1229      -11.9  
1 1 1 9  34 44 o 1.007000       1.254000      111.3643      116.6  
1 1 1 9  34 45 o 3.553000       1.179000      272.7607      90.9   
1 1 1 9  34 46 o 17.85000       1.834000      601.6609      78.6   
1 1 1 9  34 47 o 31.63000       1.667000      ?             ?      
1 1 1 9  34 48 o 4.341000       1.708000      ?             ?      
1 1 1 9  34 49 o 8.754000       1.937000      ?             ?      
1 1 1 9  34 50 o 2.528000       1.465000      ?             ?      
1 1 1 9  34 51 o 4.473000       1.471000      ?             ?      
1 1 1 9  34 52 o 0.1528000      1.415000      ?             ?      
1 1 1 9  34 53 o 2.756000       1.291000      ?             ?      
1 1 1 9  34 54 o 0.3086000      1.150000      ?             ?      
1 1 1 9  34 55 o 0.4194000      1.142000      ?             ?      
1 1 1 9  34 56 o 2.496000       1.161000      ?             ?      
1 1 1 9  34 57 o 3.428000       1.182000      ?             ?      
1 1 1 9  34 58 o 1.039000       1.179000      ?             ?      
1 1 1 9  34 59 o 4.961000       1.209000      ?             ?      
1 1 1 9  34 60 o 3.652000       1.210000      ?             ?      
1 1 1 9  34 61 o 7.367000       1.270000      ?             ?      
1 1 1 9  34 62 o 2.230000       1.369000      ?             ?      
1 1 1 9  34 63 o 2.455000       1.411000      ?             ?      
1 1 1 9  34 64 o 3.000000       1.331000      ?             ?      
1 1 1 9  34 65 o 0.1974000      2.198000      ?             ?      
1 1 1 9  35 0  o 27.53000       1.402000      683.3806      -90.0  
1 1 1 9  35 1  o 34.21000       1.165000      901.7435      -140.5 
1 1 1 9  35 2  o 3.346000       0.8639000     487.2237      172.4  
1 1 1 9  35 3  o 43.27000       1.344000      876.2368      98.7   
1 1 1 9  35 4  o 43.87000       1.235000      620.3455      2.2    
1 1 1 9  35 5  o 0.6355000      0.7338000     260.8030      99.6   
1 1 1 9  35 6  o 14.29000       0.9368000     613.3416      57.2   
1 1 1 9  35 7  o 29.48000       1.402000      1006.520      130.1  
1 1 1 9  35 8  o 0.2188000      0.9265000     356.7292      -6.0   
1 1 1 9  35 9  o 9.425000       0.9025000     632.6306      -42.8  
1 1 1 9  35 10 o 1.674000       0.8873000     197.4778      154.3  
1 1 1 9  35 11 o 1.636000       0.8606000     50.25786      -69.9  
1 1 1 9  35 12 o 10.62000       1.076000      483.6321      -167.5 
1 1 1 9  35 13 o 48.29000       1.647000      1061.146      -34.0  
1 1 1 9  35 14 o 6.467000       1.333000      376.2845      63.7   
1 1 1 9  35 15 o 11.18000       1.410000      448.8565      38.0   
1 1 1 9  35 16 o 39.95000       2.091000      893.6801      -6.2   
1 1 1 9  35 17 o 5.542000       1.497000      427.5549      -70.0  
1 1 1 9  35 18 o 16.67000       1.158000      638.0045      172.3  
1 1 1 9  35 19 o 60.31000       1.909000      1079.370      -61.1  
1 1 1 9  35 20 o 25.24000       1.290000      768.7347      -80.2  
1 1 1 9  35 21 o 0.3512000      1.014000      179.6039      130.6  
1 1 1 9  35 22 o 3.370000       0.8912000     434.6054      -148.2 
1 1 1 9  35 23 o 28.55000       1.213000      866.7526      55.9   
1 1 1 9  35 24 o 4.518000       0.9615000     258.9954      83.6   
1 1 1 9  35 25 o 55.61000       1.627000      1115.703      152.7  
1 1 1 9  35 26 o -1.099000      1.087000      190.2905      115.0  
1 1 1 9  35 27 o 7.148000       1.166000      460.8931      -39.8  
1 1 1 9  35 28 o 3.690000       1.187000      180.3177      -87.5  
1 1 1 9  35 29 o 2.073000       0.8460000     330.8887      -141.4 
1 1 1 9  35 30 o -0.4852000     0.7816000     274.1931      25.3   
1 1 1 9  35 31 o 1.771000       0.7414000     274.2502      86.3   
1 1 1 9  35 32 o 3.771000       0.8270000     339.9461      47.3   
1 1 1 9  35 33 o -0.5218000     0.9001000     106.6915      127.3  
1 1 1 9  35 34 o 16.31000       1.180000      670.8666      139.7  
1 1 1 9  35 35 o 11.32000       1.295000      502.9682      28.6   
1 1 1 9  35 36 o 18.29000       1.296000      544.9857      173.9  
1 1 1 9  35 37 o 52.65000       1.738000      1097.475      66.5   
1 1 1 9  35 38 o 3.987000       1.164000      154.6221      131.1  
1 1 1 9  35 39 o 2.713000       1.181000      345.4177      -85.3  
1 1 1 9  35 40 o 3.205000       1.036000      294.2718      56.9   
1 1 1 9  35 41 o 15.60000       1.649000      618.0394      -72.6  
1 1 1 9  35 42 o 6.104000       1.238000      369.3840      51.6   
1 1 1 9  35 43 o 15.53000       1.366000      626.7007      168.3  
1 1 1 9  35 44 o -0.6208000     1.293000      236.9276      174.3  
1 1 1 9  35 45 o 5.850000       1.256000      497.5899      -31.0  
1 1 1 9  35 46 o 18.87000       1.387000      ?             ?      
1 1 1 9  35 47 o 5.409000       1.304000      ?             ?      
1 1 1 9  35 48 o 5.127000       1.367000      ?             ?      
1 1 1 9  35 49 o 14.67000       1.762000      ?             ?      
1 1 1 9  35 51 o 5.392000       1.325000      ?             ?      
1 1 1 9  35 52 o 5.433000       1.319000      ?             ?      
1 1 1 9  35 53 o 2.549000       1.569000      ?             ?      
1 1 1 9  35 54 o 11.05000       1.443000      ?             ?      
1 1 1 9  35 55 o 3.811000       1.233000      ?             ?      
1 1 1 9  35 56 o 2.134000       1.153000      ?             ?      
1 1 1 9  35 57 o 7.465000       1.217000      ?             ?      
1 1 1 9  35 58 o 6.080000       1.210000      ?             ?      
1 1 1 9  35 59 o 2.710000       1.191000      ?             ?      
1 1 1 9  35 60 o 0.2808000      1.199000      ?             ?      
1 1 1 9  35 61 o 3.763000       1.286000      ?             ?      
1 1 1 9  35 62 o 0.8343000E-01  1.472000      ?             ?      
1 1 1 9  35 63 o 3.027000       1.404000      ?             ?      
1 1 1 9  35 64 o 1.832000       1.266000      ?             ?      
1 1 1 9  36 0  o 103.3000       3.253000      1687.792      90.0   
1 1 1 9  36 1  o 28.14000       1.035000      770.6541      -179.1 
1 1 1 9  36 2  o 48.43000       1.431000      1101.736      -104.4 
1 1 1 9  36 3  o 15.24000       0.9804000     687.6119      -91.3  
1 1 1 9  36 4  o 0.6298000      0.7489000     260.0173      140.1  
1 1 1 9  36 5  o 30.89000       1.048000      677.6226      116.2  
1 1 1 9  36 6  o 0.9223000      0.8561000     90.71452      -35.6  
1 1 1 9  36 7  o 5.165000       0.9365000     209.4835      -96.0  
1 1 1 9  36 8  o 81.29000       2.476000      1242.583      -114.2 
1 1 1 9  36 9  o 17.78000       0.9998000     626.8972      137.1  
1 1 1 9  36 10 o 18.00000       0.9117000     635.1579      76.0   
1 1 1 9  36 11 o 14.98000       0.9657000     558.7723      139.5  
1 1 1 9  36 12 o 45.63000       1.571000      808.8264      96.7   
1 1 1 9  36 13 o 20.80000       1.014000      602.2191      -160.3 
1 1 1 9  36 14 o 3.521000       1.334000      317.9799      123.3  
1 1 1 9  36 15 o 26.38000       1.317000      748.9467      110.3  
1 1 1 9  36 16 o 5.204000       1.474000      290.3337      -42.5  
1 1 1 9  36 17 o 5.789000       1.445000      311.8353      -57.6  
1 1 1 9  36 18 o 19.73000       1.183000      691.3657      139.9  
1 1 1 9  36 19 o 7.099000       1.044000      441.0180      -114.3 
1 1 1 9  36 20 o 22.51000       1.236000      658.6935      -37.6  
1 1 1 9  36 21 o 4.639000       1.040000      256.3598      -97.8  
1 1 1 9  36 22 o 9.347000       1.074000      437.0785      165.4  
1 1 1 9  36 23 o -0.9512000     0.8901000     123.7450      -177.7 
1 1 1 9  36 24 o 27.14000       1.185000      898.4841      -137.7 
1 1 1 9  36 25 o 27.94000       1.205000      825.2692      -125.0 
1 1 1 9  36 26 o 1.356000       0.9025000     134.6260      -136.3 
1 1 1 9  36 27 o 8.727000       1.171000      289.9150      137.2  
1 1 1 9  36 28 o 8.141000       1.222000      356.0645      -96.5  
1 1 1 9  36 29 o 9.453000       1.237000      516.7921      -168.0 
1 1 1 9  36 30 o 0.6894000      0.7835000     122.6657      157.0  
1 1 1 9  36 31 o 0.9454000      0.8194000     264.5775      -122.5 
1 1 1 9  36 32 o 2.601000       0.8445000     177.1439      -121.9 
1 1 1 9  36 33 o 12.22000       1.170000      405.7434      101.4  
1 1 1 9  36 34 o 10.62000       1.024000      451.7842      -127.7 
1 1 1 9  36 35 o 5.319000       1.051000      385.7456      -76.7  
1 1 1 9  36 36 o 1.209000       1.195000      132.6132      93.1   
1 1 1 9  36 37 o 2.622000       1.168000      274.5388      -71.6  
1 1 1 9  36 38 o 0.4933000      1.145000      52.86625      175.3  
1 1 1 9  36 39 o 5.761000       1.508000      310.5574      -60.8  
1 1 1 9  36 40 o 8.002000       1.197000      450.7339      92.8   
1 1 1 9  36 41 o 1.589000       1.174000      146.9144      -122.1 
1 1 1 9  36 42 o 12.15000       1.154000      521.6580      -80.9  
1 1 1 9  36 43 o 7.114000       1.146000      264.2482      175.3  
1 1 1 9  36 44 o 29.58000       1.406000      686.1481      81.2   
1 1 1 9  36 45 o -0.3709000     1.141000      ?             ?      
1 1 1 9  36 46 o 10.35000       1.209000      ?             ?      
1 1 1 9  36 47 o 1.793000       1.226000      ?             ?      
1 1 1 9  36 48 o 0.9007000      1.309000      ?             ?      
1 1 1 9  36 49 o 3.474000       1.422000      ?             ?      
1 1 1 9  36 50 o 5.753000       1.507000      ?             ?      
1 1 1 9  36 51 o 2.707000       1.917000      ?             ?      
1 1 1 9  36 52 o 1.666000       1.375000      ?             ?      
1 1 1 9  36 53 o 0.4322000      1.398000      ?             ?      
1 1 1 9  36 54 o 4.089000       1.601000      ?             ?      
1 1 1 9  36 55 o 2.999000       1.145000      ?             ?      
1 1 1 9  36 56 o 1.729000       1.220000      ?             ?      
1 1 1 9  36 57 o 1.890000       1.222000      ?             ?      
1 1 1 9  36 58 o 6.206000       1.271000      ?             ?      
1 1 1 9  36 59 o 4.641000       1.211000      ?             ?      
1 1 1 9  36 60 o 4.023000       1.214000      ?             ?      
1 1 1 9  36 61 o 0.9593000      1.318000      ?             ?      
1 1 1 9  36 62 o -0.8823000E-01 1.366000      ?             ?      
1 1 1 9  36 63 o 3.534000       1.322000      ?             ?      
1 1 1 9  36 64 o 0.3831000      1.254000      ?             ?      
1 1 1 9  37 0  o 0.5690000      1.244000      149.4547      -90.0  
1 1 1 9  37 1  o 23.92000       0.9642000     813.5761      131.2  
1 1 1 9  37 2  o 14.72000       0.9119000     603.4475      -32.3  
1 1 1 9  37 3  o 31.55000       1.231000      901.8782      50.7   
1 1 1 9  37 4  o 0.5663000      0.7939000     189.1660      -16.1  
1 1 1 9  37 5  o 2.541000       0.7473000     248.9017      135.8  
1 1 1 9  37 6  o 8.036000       0.7880000     349.2255      132.4  
1 1 1 9  37 7  o 19.94000       1.013000      602.7102      128.5  
1 1 1 9  37 8  o 0.2218000      0.9269000     225.4834      -148.3 
1 1 1 9  37 9  o 9.137000       0.9039000     606.0333      -113.9 
1 1 1 9  37 10 o 3.400000       0.8178000     262.3822      -138.8 
1 1 1 9  37 11 o 3.488000       1.006000      235.7862      118.5  
1 1 1 9  37 12 o 19.72000       1.163000      733.1446      -98.3  
1 1 1 9  37 13 o 8.303000       1.058000      400.2485      -140.1 
1 1 1 9  37 14 o 0.7045000      1.313000      82.27757      6.3    
1 1 1 9  37 15 o 1.482000       1.431000      184.5184      43.3   
1 1 1 9  37 16 o 4.592000       1.446000      397.1184      -138.7 
1 1 1 9  37 17 o 8.170000       1.049000      292.3011      28.2   
1 1 1 9  37 18 o 2.453000       1.006000      216.5585      -169.7 
1 1 1 9  37 19 o 19.76000       1.188000      475.2218      167.1  
1 1 1 9  37 20 o 4.651000       1.033000      237.0887      24.9   
1 1 1 9  37 21 o 1.610000       1.004000      139.6179      96.6   
1 1 1 9  37 22 o 30.08000       1.398000      754.5826      -25.6  
1 1 1 9  37 23 o 21.36000       1.254000      671.1461      11.3   
1 1 1 9  37 24 o 4.478000       0.8977000     486.8356      -166.2 
1 1 1 9  37 25 o 3.341000       0.9263000     269.1128      20.6   
1 1 1 9  37 26 o 26.07000       1.406000      703.4697      -53.7  
1 1 1 9  37 27 o 3.090000       1.141000      293.9092      -124.7 
1 1 1 9  37 28 o 3.251000       1.131000      360.1012      -75.6  
1 1 1 9  37 29 o 4.467000       1.177000      330.8494      138.0  
1 1 1 9  37 30 o 5.126000       1.625000      366.1530      -14.5  
1 1 1 9  37 31 o 5.658000       0.8907000     414.3036      80.9   
1 1 1 9  37 32 o 0.7332000      0.9353000     91.57614      -137.8 
1 1 1 9  37 33 o 8.381000       1.014000      371.4420      76.2   
1 1 1 9  37 34 o 2.176000       0.9599000     268.6670      170.0  
1 1 1 9  37 35 o 24.23000       1.379000      765.0401      4.3    
1 1 1 9  37 36 o 15.49000       1.326000      502.7065      24.8   
1 1 1 9  37 37 o 5.927000       1.529000      301.9323      -76.7  
1 1 1 9  37 38 o 17.91000       1.669000      595.7400      -79.0  
1 1 1 9  37 39 o 3.863000       1.143000      209.7369      48.2   
1 1 1 9  37 40 o 0.3371000E-02  1.051000      163.7392      -107.3 
1 1 1 9  37 41 o 3.511000       1.100000      287.4760      11.9   
1 1 1 9  37 42 o 0.6586000      1.084000      171.3270      -16.6  
1 1 1 9  37 43 o 1.844000       1.098000      121.8393      57.9   
1 1 1 9  37 44 o 4.201000       1.110000      ?             ?      
1 1 1 9  37 45 o 4.285000       1.107000      ?             ?      
1 1 1 9  37 46 o 2.549000       1.145000      ?             ?      
1 1 1 9  37 47 o 2.475000       1.293000      ?             ?      
1 1 1 9  37 48 o 2.101000       1.211000      ?             ?      
1 1 1 9  37 49 o 1.665000       1.099000      ?             ?      
1 1 1 9  37 50 o 3.974000       1.250000      ?             ?      
1 1 1 9  37 51 o 5.430000       1.365000      ?             ?      
1 1 1 9  37 52 o 0.5697000      1.343000      ?             ?      
1 1 1 9  37 53 o 1.921000       1.458000      ?             ?      
1 1 1 9  37 54 o -0.5493000     1.407000      ?             ?      
1 1 1 9  37 55 o -0.5502000     1.382000      ?             ?      
1 1 1 9  37 56 o 1.728000       1.239000      ?             ?      
1 1 1 9  37 57 o 2.439000       1.263000      ?             ?      
1 1 1 9  37 58 o 2.025000       1.211000      ?             ?      
1 1 1 9  37 59 o 2.154000       1.176000      ?             ?      
1 1 1 9  37 60 o 1.466000       1.311000      ?             ?      
1 1 1 9  37 61 o -0.3386000     1.455000      ?             ?      
1 1 1 9  37 62 o 0.5647000      1.369000      ?             ?      
1 1 1 9  37 63 o 1.703000       1.256000      ?             ?      
1 1 1 9  38 0  o 9.375000       1.096000      389.7073      90.0   
1 1 1 9  38 1  o 11.46000       0.8136000     478.6696      -136.8 
1 1 1 9  38 2  o 7.251000       0.8269000     382.8560      148.1  
1 1 1 9  38 3  o 1.594000       0.8519000     152.0996      -122.7 
1 1 1 9  38 4  o 10.71000       0.8723000     418.5652      -103.2 
1 1 1 9  38 5  o 24.99000       0.9729000     693.4637      7.2    
1 1 1 9  38 6  o 2.361000       0.7528000     69.21802      175.5  
1 1 1 9  38 7  o 12.83000       0.9426000     428.0741      -138.6 
1 1 1 9  38 8  o 7.860000       0.9569000     334.4354      -139.0 
1 1 1 9  38 9  o 2.898000       0.9648000     128.3376      168.5  
1 1 1 9  38 10 o 9.277000       0.9191000     368.3588      75.1   
1 1 1 9  38 11 o 3.846000       0.8557000     268.3146      -49.8  
1 1 1 9  38 12 o 17.69000       0.9676000     584.0811      -15.9  
1 1 1 9  38 13 o 5.091000       1.003000      149.5860      -107.9 
1 1 1 9  38 14 o 7.574000       1.075000      255.8307      -110.4 
1 1 1 9  38 15 o 10.34000       1.536000      349.5299      32.7   
1 1 1 9  38 16 o 22.17000       1.681000      454.6524      -168.3 
1 1 1 9  38 17 o 3.327000       1.001000      112.6024      -37.0  
1 1 1 9  38 18 o 2.725000       0.9973000     184.5901      -83.7  
1 1 1 9  38 19 o 15.45000       1.184000      489.5306      -128.7 
1 1 1 9  38 20 o 1.789000       1.081000      248.9908      102.8  
1 1 1 9  38 21 o 0.5842000      1.093000      101.9342      3.9    
1 1 1 9  38 22 o 3.253000       1.082000      200.6744      -170.1 
1 1 1 9  38 23 o 0.6619000      1.122000      208.2794      65.4   
1 1 1 9  38 24 o 7.226000       1.132000      342.0902      -88.9  
1 1 1 9  38 25 o 20.56000       1.336000      568.1682      168.4  
1 1 1 9  38 26 o 1.144000       0.9246000     191.7216      148.9  
1 1 1 9  38 27 o 8.116000       0.9874000     533.9144      12.8   
1 1 1 9  38 28 o 9.245000       1.235000      380.1591      -112.0 
1 1 1 9  38 29 o 4.131000       1.207000      238.4903      -175.5 
1 1 1 9  38 30 o 13.75000       1.873000      361.8727      -86.3  
1 1 1 9  38 31 o 9.293000       3.518000      350.4625      150.1  
1 1 1 9  38 32 o 0.6518000      1.129000      113.4114      -132.6 
1 1 1 9  38 33 o 6.565000       0.9868000     366.8929      37.4   
1 1 1 9  38 34 o 5.821000       1.112000      378.1248      112.8  
1 1 1 9  38 35 o 1.371000       0.9084000     107.4509      -76.8  
1 1 1 9  38 36 o 10.53000       1.086000      433.6601      79.7   
1 1 1 9  38 37 o -1.861000      1.090000      93.26676      -22.4  
1 1 1 9  38 38 o 3.495000       1.322000      192.1964      -61.9  
1 1 1 9  38 39 o 0.2545000      1.170000      97.09821      148.7  
1 1 1 9  38 40 o 3.904000       1.041000      222.8102      106.1  
1 1 1 9  38 41 o -0.1140000     1.055000      76.41831      162.5  
1 1 1 9  38 42 o 14.56000       1.312000      333.9016      -139.8 
1 1 1 9  38 43 o 1.454000       1.088000      ?             ?      
1 1 1 9  38 44 o 2.316000       1.095000      ?             ?      
1 1 1 9  38 45 o 5.723000       1.119000      ?             ?      
1 1 1 9  38 46 o 5.279000       1.191000      ?             ?      
1 1 1 9  38 47 o 0.5514000      1.243000      ?             ?      
1 1 1 9  38 48 o 2.339000       1.121000      ?             ?      
1 1 1 9  38 49 o 0.7369000      1.073000      ?             ?      
1 1 1 9  38 50 o 1.048000       1.085000      ?             ?      
1 1 1 9  38 51 o 1.260000       1.343000      ?             ?      
1 1 1 9  38 52 o -0.5009000     1.321000      ?             ?      
1 1 1 9  38 53 o 1.020000       1.190000      ?             ?      
1 1 1 9  38 54 o 0.1878000      1.262000      ?             ?      
1 1 1 9  38 55 o 0.1108000      1.575000      ?             ?      
1 1 1 9  38 56 o 2.599000       1.365000      ?             ?      
1 1 1 9  38 57 o 1.455000       1.168000      ?             ?      
1 1 1 9  38 58 o 0.7028000      1.170000      ?             ?      
1 1 1 9  38 59 o 3.256000       1.310000      ?             ?      
1 1 1 9  38 60 o 6.226000       1.426000      ?             ?      
1 1 1 9  38 61 o 5.047000       1.456000      ?             ?      
1 1 1 9  38 62 o 0.1712000      1.816000      ?             ?      
1 1 1 9  39 0  o 3.038000       1.043000      360.5522      90.0   
1 1 1 9  39 1  o 1.359000       0.7515000     207.6109      13.7   
1 1 1 9  39 2  o 6.486000       0.8340000     437.6667      5.0    
1 1 1 9  39 3  o 9.372000       0.9199000     426.2853      67.6   
1 1 1 9  39 4  o 0.5392000      0.8055000     46.70549      -85.4  
1 1 1 9  39 5  o 0.9769000      0.8068000     151.0033      29.5   
1 1 1 9  39 6  o 15.65000       0.8564000     539.3894      115.5  
1 1 1 9  39 7  o 7.125000       0.8977000     272.9892      -149.8 
1 1 1 9  39 8  o 5.560000       0.9446000     281.7099      -53.4  
1 1 1 9  39 9  o 3.992000       0.9647000     265.0914      -116.7 
1 1 1 9  39 10 o 4.867000       0.8433000     271.4730      -36.5  
1 1 1 9  39 11 o -0.1494000     0.8574000     105.8448      169.6  
1 1 1 9  39 12 o 0.2385000      1.052000      184.5096      -45.6  
1 1 1 9  39 13 o 6.150000       0.9057000     171.9640      30.5   
1 1 1 9  39 14 o -0.6072000     1.053000      81.72024      144.3  
1 1 1 9  39 15 o 2.133000       1.442000      316.1897      160.2  
1 1 1 9  39 16 o 2.285000       1.019000      120.0836      -47.2  
1 1 1 9  39 17 o 17.48000       1.176000      493.3687      -68.5  
1 1 1 9  39 18 o 0.8674000      1.088000      68.45633      112.1  
1 1 1 9  39 19 o 0.2485000E-01  1.048000      101.5185      74.0   
1 1 1 9  39 20 o -1.087000      1.115000      56.40178      -3.5   
1 1 1 9  39 21 o -0.5598000     1.117000      113.2635      45.8   
1 1 1 9  39 22 o 9.793000       1.206000      380.8579      -37.1  
1 1 1 9  39 23 o 2.331000       1.163000      127.2285      41.3   
1 1 1 9  39 24 o -0.7265000     1.172000      84.81379      111.4  
1 1 1 9  39 25 o 1.759000       1.226000      138.2283      -94.3  
1 1 1 9  39 26 o 14.04000       1.363000      509.8830      -168.0 
1 1 1 9  39 27 o 2.489000       0.9606000     204.2455      9.1    
1 1 1 9  39 28 o 6.451000       1.006000      322.2716      -24.6  
1 1 1 9  39 29 o 4.438000       1.696000      222.8955      -57.4  
1 1 1 9  39 30 o -1.474000      1.749000      129.6840      -107.2 
1 1 1 9  39 31 o 8.662000       3.646000      382.3443      110.5  
1 1 1 9  39 32 o 0.3818000      1.953000      106.3579      3.7    
1 1 1 9  39 33 o -0.3345000E-01 1.058000      144.6258      99.8   
1 1 1 9  39 34 o 1.661000       0.8296000     195.9108      -16.1  
1 1 1 9  39 35 o 1.459000       0.8148000     185.0961      -24.2  
1 1 1 9  39 36 o 2.843000       0.8627000     256.9154      -106.5 
1 1 1 9  39 37 o 1.720000       0.8941000     145.5193      117.6  
1 1 1 9  39 38 o 3.802000       1.045000      310.0370      -42.8  
1 1 1 9  39 39 o -0.6725000     1.402000      162.2634      162.8  
1 1 1 9  39 40 o 4.009000       1.177000      253.8381      -109.9 
1 1 1 9  39 41 o 3.327000       1.049000      299.9513      -5.4   
1 1 1 9  39 42 o 8.962000       1.117000      ?             ?      
1 1 1 9  39 43 o 11.04000       1.146000      ?             ?      
1 1 1 9  39 44 o -0.1033000     1.070000      ?             ?      
1 1 1 9  39 45 o 1.337000       1.105000      ?             ?      
1 1 1 9  39 46 o 1.585000       1.237000      ?             ?      
1 1 1 9  39 47 o 0.1178000      1.154000      ?             ?      
1 1 1 9  39 48 o 8.033000       1.111000      ?             ?      
1 1 1 9  39 49 o 0.6513000      1.063000      ?             ?      
1 1 1 9  39 50 o 2.795000       1.095000      ?             ?      
1 1 1 9  39 51 o 1.418000       1.229000      ?             ?      
1 1 1 9  39 52 o -0.4160000     1.313000      ?             ?      
1 1 1 9  39 53 o 0.4991000      1.192000      ?             ?      
1 1 1 9  39 54 o 0.6942000      1.099000      ?             ?      
1 1 1 9  39 55 o 0.3701000      1.259000      ?             ?      
1 1 1 9  39 56 o 8.170000       1.490000      ?             ?      
1 1 1 9  39 57 o -0.1411000     1.292000      ?             ?      
1 1 1 9  39 58 o 2.604000       1.270000      ?             ?      
1 1 1 9  39 59 o 1.714000       1.783000      ?             ?      
1 1 1 9  39 60 o 1.439000       1.967000      ?             ?      
1 1 1 9  39 61 o 1.498000       1.360000      ?             ?      
1 1 1 9  40 0  o 1.728000       1.064000      96.68394      90.0   
1 1 1 9  40 1  o 3.298000       0.7700000     193.4509      -106.9 
1 1 1 9  40 2  o 6.165000       0.7822000     259.2576      124.6  
1 1 1 9  40 3  o -1.744000      0.8193000     178.0426      -108.8 
1 1 1 9  40 4  o 0.3686000      0.8774000     54.21721      39.6   
1 1 1 9  40 5  o 7.643000       0.8577000     268.2574      56.7   
1 1 1 9  40 6  o -1.555000      0.7389000     79.89078      129.4  
1 1 1 9  40 7  o 1.809000       0.7519000     185.7048      165.8  
1 1 1 9  40 8  o 2.857000       0.8961000     202.6259      -35.8  
1 1 1 9  40 9  o 1.971000       0.9558000     124.3592      -29.0  
1 1 1 9  40 10 o 5.945000       0.9140000     129.8004      -139.2 
1 1 1 9  40 11 o 2.494000       1.027000      205.8975      59.7   
1 1 1 9  40 12 o 2.239000       0.9903000     64.70866      141.5  
1 1 1 9  40 13 o 7.371000       0.8716000     219.5513      -98.7  
1 1 1 9  40 14 o 3.163000       1.512000      183.4041      47.1   
1 1 1 9  40 15 o 9.920000       1.537000      241.5825      -22.9  
1 1 1 9  40 16 o 1.796000       1.018000      112.8767      50.5   
1 1 1 9  40 17 o 9.116000       1.118000      285.3445      35.5   
1 1 1 9  40 18 o 6.293000       1.156000      214.6653      -95.0  
1 1 1 9  40 19 o 1.110000       1.123000      239.1451      147.5  
1 1 1 9  40 20 o 8.806000       1.219000      236.9500      33.2   
1 1 1 9  40 21 o 0.1968000E-01  1.166000      220.5770      -112.8 
1 1 1 9  40 22 o 2.945000       1.202000      152.2580      150.2  
1 1 1 9  40 23 o 8.090000       1.244000      277.9695      41.6   
1 1 1 9  40 24 o 2.668000       1.230000      136.0018      177.2  
1 1 1 9  40 25 o 5.896000       1.290000      286.1168      136.9  
1 1 1 9  40 26 o 10.80000       1.351000      325.4770      3.3    
1 1 1 9  40 27 o 0.6093000      1.291000      132.1502      -6.8   
1 1 1 9  40 28 o -1.524000      1.025000      130.4189      -110.6 
1 1 1 9  40 29 o 2.293000       1.629000      138.4265      164.4  
1 1 1 9  40 30 o 0.1173000      1.378000      157.0172      118.3  
1 1 1 9  40 31 o 1.852000       1.909000      137.0643      39.2   
1 1 1 9  40 32 o -1.070000      1.399000      102.1853      168.0  
1 1 1 9  40 33 o 0.1753000      1.441000      35.77620      -51.6  
1 1 1 9  40 34 o 0.5059000E-01  1.078000      112.9171      -2.3   
1 1 1 9  40 35 o 0.1281000      0.7772000     50.34290      -75.4  
1 1 1 9  40 36 o 3.540000       0.8300000     216.7539      -7.1   
1 1 1 9  40 37 o 2.389000       0.8686000     113.3047      5.9    
1 1 1 9  40 38 o 4.373000       0.9072000     293.2984      -162.3 
1 1 1 9  40 39 o 2.439000       1.020000      214.6989      -50.2  
1 1 1 9  40 40 o 1.268000       1.185000      125.8581      -91.3  
1 1 1 9  40 41 o 0.1842000      1.143000      ?             ?      
1 1 1 9  40 42 o 1.393000       1.023000      ?             ?      
1 1 1 9  40 43 o 3.540000       1.051000      ?             ?      
1 1 1 9  40 44 o 0.4736000      1.035000      ?             ?      
1 1 1 9  40 45 o 3.916000       1.130000      ?             ?      
1 1 1 9  40 46 o 0.9655000E-01  1.187000      ?             ?      
1 1 1 9  40 47 o 1.048000       1.088000      ?             ?      
1 1 1 9  40 48 o -0.2405000     1.041000      ?             ?      
1 1 1 9  40 49 o -1.675000      1.042000      ?             ?      
1 1 1 9  40 50 o 1.519000       1.060000      ?             ?      
1 1 1 9  40 51 o -0.3421000     1.063000      ?             ?      
1 1 1 9  40 52 o -0.5748000E-01 1.184000      ?             ?      
1 1 1 9  40 53 o -1.570000      1.315000      ?             ?      
1 1 1 9  40 54 o 1.867000       1.234000      ?             ?      
1 1 1 9  40 55 o 0.2389000      1.117000      ?             ?      
1 1 1 9  40 56 o 1.460000       1.282000      ?             ?      
1 1 1 9  40 57 o 0.4702000      1.436000      ?             ?      
1 1 1 9  40 58 o 3.387000       1.188000      ?             ?      
1 1 1 9  40 59 o 0.7458000      1.297000      ?             ?      
1 1 1 9  40 60 o -0.4721000     1.323000      ?             ?      
1 1 1 9  41 0  o 12.09000       1.194000      372.4814      90.0   
1 1 1 9  41 1  o 2.261000       0.7736000     91.08614      -17.8  
1 1 1 9  41 2  o 1.041000       0.7594000     21.11203      104.3  
1 1 1 9  41 3  o 4.847000       0.8629000     232.5889      24.9   
1 1 1 9  41 4  f 1.295000       0.9115000     120.3582      18.8   
1 1 1 9  41 5  o 18.98000       1.063000      319.4044      119.2  
1 1 1 9  41 6  o 11.05000       0.8246000     201.9443      169.0  
1 1 1 9  41 7  o 10.29000       0.8074000     162.1773      -77.6  
1 1 1 9  41 8  o 3.295000       0.8791000     124.6832      -58.1  
1 1 1 9  41 9  o 0.7333000      0.9058000     158.5921      -168.8 
1 1 1 9  41 10 o 7.973000       0.9672000     321.6799      -83.3  
1 1 1 9  41 11 o 1.910000       1.093000      230.3109      -22.1  
1 1 1 9  41 12 o 0.5466000      0.8499000     110.7297      -116.8 
1 1 1 9  41 13 o 1.348000       0.8014000     139.2613      -163.4 
1 1 1 9  41 14 o 3.843000       1.535000      184.7431      79.4   
1 1 1 9  41 15 o 2.105000       1.064000      99.70325      -134.2 
1 1 1 9  41 16 o 2.321000       1.157000      132.0730      -175.8 
1 1 1 9  41 17 o 2.728000       1.153000      145.1636      -24.2  
1 1 1 9  41 18 o 1.525000       1.144000      161.2690      38.0   
1 1 1 9  41 19 o 0.7481000      1.154000      93.98771      -52.8  
1 1 1 9  41 20 o -0.8939000     1.147000      45.20451      124.8  
1 1 1 9  41 21 o 3.198000       1.178000      72.32477      95.5   
1 1 1 9  41 22 o 2.634000       1.201000      178.6688      -40.7  
1 1 1 9  41 23 o 5.010000       1.260000      147.5062      60.2   
1 1 1 9  41 24 o 10.98000       1.323000      338.2789      163.9  
1 1 1 9  41 25 o -0.6020000     1.275000      98.45665      175.5  
1 1 1 9  41 26 o -1.845000      1.365000      73.67912      170.4  
1 1 1 9  41 27 o 4.289000       1.667000      231.6399      -85.8  
1 1 1 9  41 28 o 6.641000       1.787000      109.9125      80.5   
1 1 1 9  41 29 o 1.135000       1.812000      84.97897      -81.7  
1 1 1 9  41 30 o 6.470000       1.388000      246.0305      -173.1 
1 1 1 9  41 31 o 3.558000       2.040000      87.74176      -177.6 
1 1 1 9  41 32 o 1.914000       1.407000      212.8575      8.7    
1 1 1 9  41 33 f 4.781000       1.488000      118.0384      53.3   
1 1 1 9  41 34 o 1.607000       1.573000      154.2208      -86.7  
1 1 1 9  41 35 o 1.946000       1.217000      119.6949      -153.7 
1 1 1 9  41 36 o 0.7867000      0.7737000     103.5107      -7.6   
1 1 1 9  41 37 o 1.416000       0.8131000     121.5161      0.9    
1 1 1 9  41 38 o 0.5359000      0.8461000     27.78315      148.2  
1 1 1 9  41 39 o -0.9126000E-01 0.8547000     ?             ?      
1 1 1 9  41 40 o 0.1089000      0.9893000     ?             ?      
1 1 1 9  41 41 o 1.813000       1.191000      ?             ?      
1 1 1 9  41 42 o 4.994000       1.169000      ?             ?      
1 1 1 9  41 43 o 4.092000       1.018000      ?             ?      
1 1 1 9  41 44 o 0.6376000      1.025000      ?             ?      
1 1 1 9  41 45 o 2.978000       1.162000      ?             ?      
1 1 1 9  41 46 o 0.3665000      1.104000      ?             ?      
1 1 1 9  41 47 o -0.2446000     1.032000      ?             ?      
1 1 1 9  41 48 o -0.5123000     1.033000      ?             ?      
1 1 1 9  41 49 o -0.2740000     1.052000      ?             ?      
1 1 1 9  41 50 o 1.123000       1.052000      ?             ?      
1 1 1 9  41 51 o -0.8962000     1.043000      ?             ?      
1 1 1 9  41 52 o -0.3308000     1.046000      ?             ?      
1 1 1 9  41 53 o 0.7464000      1.205000      ?             ?      
1 1 1 9  41 54 o 1.977000       1.350000      ?             ?      
1 1 1 9  41 55 o 2.981000       1.257000      ?             ?      
1 1 1 9  41 56 o 2.867000       1.308000      ?             ?      
1 1 1 9  41 57 o 2.580000       1.328000      ?             ?      
1 1 1 9  41 58 o -1.250000      1.643000      ?             ?      
1 1 1 9  41 59 o -0.9322000     1.371000      ?             ?      
1 1 1 9  41 60 o -0.6646000E-01 1.433000      ?             ?      
1 1 1 9  42 0  o 3.926000       1.123000      260.7254      -90.0  
1 1 1 9  42 1  o 2.483000       0.7953000     152.8476      125.4  
1 1 1 9  42 2  o 1.023000       0.7741000     55.51479      -19.7  
1 1 1 9  42 3  o 0.8567000      0.8574000     141.9006      95.7   
1 1 1 9  42 4  o 8.966000       0.9903000     233.0444      75.6   
1 1 1 9  42 5  o 1.717000       0.8437000     128.4791      -128.0 
1 1 1 9  42 6  f -0.5803000     0.7492000     227.8266      -109.6 
1 1 1 9  42 7  o 0.5795000      0.7531000     61.01921      76.6   
1 1 1 9  42 8  o 2.290000       0.8747000     174.9837      30.6   
1 1 1 9  42 9  o 3.793000       0.9278000     78.90482      56.8   
1 1 1 9  42 10 o 3.795000       1.014000      166.6066      178.1  
1 1 1 9  42 11 o 13.21000       1.573000      220.3169      32.4   
1 1 1 9  42 12 o 0.9049000      0.8310000     111.0161      -24.3  
1 1 1 9  42 13 o 0.4545000      0.8995000     79.76637      -72.5  
1 1 1 9  42 14 o 2.696000       1.586000      83.37119      110.2  
1 1 1 9  42 15 o -1.543000      1.062000      146.3536      -14.1  
1 1 1 9  42 16 o 0.8844000      1.153000      54.44538      77.3   
1 1 1 9  42 17 o 2.614000       1.180000      75.97221      2.7    
1 1 1 9  42 18 o 0.6653000      1.190000      49.39868      84.0   
1 1 1 9  42 19 o 4.128000       1.216000      106.8752      -153.0 
1 1 1 9  42 20 o -0.9425000     1.178000      105.9440      -158.5 
1 1 1 9  42 21 o 0.6267000      1.192000      110.2975      138.4  
1 1 1 9  42 22 o 3.944000       1.239000      107.9542      -16.4  
1 1 1 9  42 23 o 0.7742000      1.236000      160.4266      -143.6 
1 1 1 9  42 24 o -0.9791000     1.576000      45.06968      36.2   
1 1 1 9  42 25 o 3.620000       1.363000      119.8607      25.7   
1 1 1 9  42 26 o -0.2890000E-01 1.302000      69.61256      -62.7  
1 1 1 9  42 27 o 5.044000       1.379000      215.0734      -115.6 
1 1 1 9  42 28 o 2.941000       1.806000      146.9537      57.8   
1 1 1 9  42 29 o 3.397000       1.544000      47.25727      -44.2  
1 1 1 9  42 30 o 0.2446000      1.232000      5.940744      -51.9  
1 1 1 9  42 31 o -2.837000      1.131000      55.91034      -10.2  
1 1 1 9  42 32 o -0.8990000     1.135000      90.27589      -112.7 
1 1 1 9  42 33 o -0.4390000E-01 1.451000      46.79019      35.4   
1 1 1 9  42 34 o 0.8970000      1.527000      53.80461      -47.1  
1 1 1 9  42 35 o 8.844000       1.650000      189.3929      13.2   
1 1 1 9  42 36 o 0.7179000      1.110000      66.28350      14.3   
1 1 1 9  42 37 o 0.3429000      0.8149000     88.89462      -150.6 
1 1 1 9  42 38 o 2.913000       0.8016000     ?             ?      
1 1 1 9  42 39 o 1.124000       0.8309000     ?             ?      
1 1 1 9  42 40 o 0.2891000      0.8901000     ?             ?      
1 1 1 9  42 41 o 2.884000       0.9922000     ?             ?      
1 1 1 9  42 42 o -0.1884000     1.153000      ?             ?      
1 1 1 9  42 43 o 1.048000       1.151000      ?             ?      
1 1 1 9  42 44 o -0.3018000     1.010000      ?             ?      
1 1 1 9  42 45 o -0.4083000E-01 1.101000      ?             ?      
1 1 1 9  42 46 o -1.063000      0.9979000     ?             ?      
1 1 1 9  42 47 o -0.2399000E-01 1.002000      ?             ?      
1 1 1 9  42 48 o 0.5601000      1.012000      ?             ?      
1 1 1 9  42 49 o 0.6043000      1.018000      ?             ?      
1 1 1 9  42 50 o 0.3449000E-01  1.033000      ?             ?      
1 1 1 9  42 51 o -1.610000      1.036000      ?             ?      
1 1 1 9  42 52 o 2.025000       1.076000      ?             ?      
1 1 1 9  42 53 o 3.395000       1.083000      ?             ?      
1 1 1 9  42 54 o -0.7039000E-01 1.316000      ?             ?      
1 1 1 9  42 55 o -0.2865000E-01 1.351000      ?             ?      
1 1 1 9  42 56 o -1.675000      1.232000      ?             ?      
1 1 1 9  42 57 o 1.070000       1.325000      ?             ?      
1 1 1 9  42 58 o 1.419000       1.653000      ?             ?      
1 1 1 9  42 59 o -0.8661000E-01 1.483000      ?             ?      
1 1 1 9  43 0  o 5.696000       1.130000      155.8097      90.0   
1 1 1 9  43 1  o 0.7996000      0.7915000     84.84467      63.2   
1 1 1 9  43 2  o 1.515000       0.7843000     144.5109      145.4  
1 1 1 9  43 3  o 1.964000       0.7942000     27.81742      -48.3  
1 1 1 9  43 4  o 3.271000       0.9542000     164.4848      -154.4 
1 1 1 9  43 5  o 1.658000       0.8531000     55.60340      65.7   
1 1 1 9  43 6  o 3.020000       0.7771000     39.99411      98.9   
1 1 1 9  43 7  o 0.9712000      0.7586000     130.5778      -165.0 
1 1 1 9  43 8  o 2.065000       0.7595000     103.7357      -29.9  
1 1 1 9  43 9  o 1.487000       0.9010000     81.80930      -157.9 
1 1 1 9  43 10 o 1.092000       1.206000      80.79681      -119.8 
1 1 1 9  43 11 o 0.1505000      0.9057000     108.5736      112.6  
1 1 1 9  43 12 o 0.2487000      0.8236000     152.3057      143.6  
1 1 1 9  43 13 o -0.3620000     0.9013000     110.8393      174.4  
1 1 1 9  43 14 o 2.000000       1.112000      78.86495      -9.8   
1 1 1 9  43 15 o 3.722000       1.206000      76.72722      46.5   
1 1 1 9  43 16 o 3.214000       1.224000      184.2639      35.5   
1 1 1 9  43 17 o 1.486000       1.222000      35.86487      -25.4  
1 1 1 9  43 18 o 1.219000       1.218000      95.78201      -26.5  
1 1 1 9  43 19 o -0.2293000     1.221000      95.14696      -13.2  
1 1 1 9  43 20 o 6.672000       1.274000      163.6635      -95.6  
1 1 1 9  43 21 o 4.277000       1.338000      82.79465      55.0   
1 1 1 9  43 22 o 1.264000       1.539000      78.87936      178.9  
1 1 1 9  43 23 o 17.63000       1.517000      201.3407      -100.6 
1 1 1 9  43 24 o 1.979000       1.288000      121.1138      32.7   
1 1 1 9  43 25 o 1.299000       1.346000      115.8793      -104.0 
1 1 1 9  43 26 o 5.771000       1.420000      143.0309      155.0  
1 1 1 9  43 27 o 6.340000       1.909000      103.2668      174.0  
1 1 1 9  43 28 o 1.669000       1.931000      134.1278      -39.8  
1 1 1 9  43 29 o -0.9123000     2.069000      100.3213      -84.9  
1 1 1 9  43 30 o 3.916000       2.064000      64.74151      -23.4  
1 1 1 9  43 31 o 0.6647000      1.120000      65.16813      -112.0 
1 1 1 9  43 32 o -0.5133000     1.132000      40.23911      30.1   
1 1 1 9  43 33 o 6.187000       1.360000      179.6570      40.9   
1 1 1 9  43 34 o 11.04000       1.813000      226.8434      -175.2 
1 1 1 9  43 35 o 3.942000       1.577000      93.90619      92.8   
1 1 1 9  43 36 o 1.212000       1.565000      ?             ?      
1 1 1 9  43 37 f 5.083000       1.248000      ?             ?      
1 1 1 9  43 38 o 0.6238000      1.095000      ?             ?      
1 1 1 9  43 39 o 0.9399000      0.7591000     ?             ?      
1 1 1 9  43 40 o 0.5238000      0.7798000     ?             ?      
1 1 1 9  43 41 o 1.793000       0.8061000     ?             ?      
1 1 1 9  43 42 o 0.3692000      0.9411000     ?             ?      
1 1 1 9  43 43 o 0.3658000      0.9805000     ?             ?      
1 1 1 9  43 44 o -1.370000      1.189000      ?             ?      
1 1 1 9  43 45 o -0.5959000     0.9604000     ?             ?      
1 1 1 9  43 46 o 0.5225000      0.9548000     ?             ?      
1 1 1 9  43 47 o 1.378000       0.9694000     ?             ?      
1 1 1 9  43 48 o 1.128000       0.9939000     ?             ?      
1 1 1 9  43 49 o 0.9297000E-01  1.000000      ?             ?      
1 1 1 9  43 50 o -0.3502000     1.015000      ?             ?      
1 1 1 9  43 51 o 0.1543000      1.043000      ?             ?      
1 1 1 9  43 52 o 0.4802000      1.065000      ?             ?      
1 1 1 9  43 53 o 0.5242000      1.078000      ?             ?      
1 1 1 9  43 54 o -0.9420000     1.207000      ?             ?      
1 1 1 9  43 55 o -1.969000      1.332000      ?             ?      
1 1 1 9  43 56 o -0.4949000E-01 1.238000      ?             ?      
1 1 1 9  43 57 o 0.3618000      1.247000      ?             ?      
1 1 1 9  43 58 o -1.281000      1.744000      ?             ?      
1 1 1 9  44 0  o 1.280000       1.117000      220.5805      90.0   
1 1 1 9  44 1  o 1.093000       0.7970000     107.0839      -161.3 
1 1 1 9  44 2  o 2.051000       0.7987000     131.7836      149.7  
1 1 1 9  44 3  o 1.707000       0.8045000     74.55201      -68.9  
1 1 1 9  44 4  o 6.483000       0.9511000     249.1710      -102.2 
1 1 1 9  44 5  o 3.809000       0.9514000     137.7189      -115.0 
1 1 1 9  44 6  o 5.670000       0.8279000     154.0072      176.3  
1 1 1 9  44 7  o -0.8746000     0.7640000     91.17498      114.7  
1 1 1 9  44 8  o 1.735000       0.7743000     110.8175      173.5  
1 1 1 9  44 9  o -0.6325000     0.8153000     153.7062      2.8    
1 1 1 9  44 10 o 1.064000       0.9934000     29.80614      125.7  
1 1 1 9  44 11 o 0.8097000      1.078000      129.3610      3.8    
1 1 1 9  44 12 o 7.122000       0.8883000     236.1540      -90.2  
1 1 1 9  44 13 o -0.2042000     0.9776000     157.2361      128.4  
1 1 1 9  44 14 o 16.88000       1.325000      365.6472      152.4  
1 1 1 9  44 15 o 1.173000       1.225000      112.6344      59.5   
1 1 1 9  44 16 o -0.1287000     1.241000      29.11824      110.2  
1 1 1 9  44 17 o -0.2272000     1.224000      138.4867      158.6  
1 1 1 9  44 18 o 1.638000       1.312000      27.37998      -27.3  
1 1 1 9  44 19 o -0.6441000E-01 1.541000      113.2504      -31.8  
1 1 1 9  44 20 o 3.056000       1.344000      63.26727      -89.5  
1 1 1 9  44 21 o -2.428000      1.256000      6.973579      -104.1 
1 1 1 9  44 22 o -2.323000      1.266000      62.94237      32.1   
1 1 1 9  44 23 o -1.043000      1.301000      116.8337      155.1  
1 1 1 9  44 24 o 1.747000       1.357000      82.91113      0.2    
1 1 1 9  44 25 o 2.183000       1.420000      139.9873      -123.2 
1 1 1 9  44 26 o 5.321000       1.513000      198.4493      7.6    
1 1 1 9  44 27 o -1.928000      1.960000      138.7591      138.6  
1 1 1 9  44 28 o 6.133000       1.575000      202.7070      34.5   
1 1 1 9  44 29 o 3.152000       2.065000      123.6767      1.8    
1 1 1 9  44 30 o -0.9928000     1.505000      68.58754      42.1   
1 1 1 9  44 31 o 4.203000       1.560000      181.8798      158.7  
1 1 1 9  44 32 o 1.981000       1.565000      142.9297      -143.7 
1 1 1 9  44 33 o -0.8535000     1.136000      90.69177      -31.6  
1 1 1 9  44 34 o 0.1872000      1.142000      56.57777      179.3  
1 1 1 9  44 35 o -0.1393000     1.588000      ?             ?      
1 1 1 9  44 36 o 4.030000       2.059000      ?             ?      
1 1 1 9  44 37 o 0.7145000      1.549000      ?             ?      
1 1 1 9  44 38 o 2.396000       1.082000      ?             ?      
1 1 1 9  44 39 o -1.327000      1.068000      ?             ?      
1 1 1 9  44 40 o 0.4242000      0.7284000     ?             ?      
1 1 1 9  44 41 o 0.2686000      0.7517000     ?             ?      
1 1 1 9  44 42 o -0.4979000     0.7901000     ?             ?      
1 1 1 9  44 43 o 0.1829000      1.064000      ?             ?      
1 1 1 9  44 44 o 1.359000       1.107000      ?             ?      
1 1 1 9  44 45 o -0.8203000     1.283000      ?             ?      
1 1 1 9  44 46 o 0.5528000      1.092000      ?             ?      
1 1 1 9  44 47 o 0.5519000      0.9429000     ?             ?      
1 1 1 9  44 48 o -0.2513000E-01 0.9640000     ?             ?      
1 1 1 9  44 49 o 0.4152000      0.9818000     ?             ?      
1 1 1 9  44 50 o 0.8630000      1.005000      ?             ?      
1 1 1 9  44 51 o 2.590000       1.202000      ?             ?      
1 1 1 9  44 52 o 0.5280000      1.052000      ?             ?      
1 1 1 9  44 53 o 2.536000       1.076000      ?             ?      
1 1 1 9  44 54 o 0.9556000      1.094000      ?             ?      
1 1 1 9  44 55 o 1.461000       1.239000      ?             ?      
1 1 1 9  44 56 o -1.634000      1.426000      ?             ?      
1 1 1 9  44 57 o 2.643000       1.692000      ?             ?      
1 1 1 9  45 0  o 0.7034000      1.115000      0.2136794     90.0   
1 1 1 9  45 1  o 1.206000       0.8154000     147.3965      -147.4 
1 1 1 9  45 2  o -0.3223000     0.8075000     27.87831      35.8   
1 1 1 9  45 3  o 1.117000       0.8159000     139.0420      -41.1  
1 1 1 9  45 4  o 0.5646000      0.9289000     175.0386      -89.1  
1 1 1 9  45 5  o 0.7693000      0.9574000     23.10553      108.7  
1 1 1 9  45 6  o 2.756000       0.8904000     211.7838      -50.4  
1 1 1 9  45 7  o 1.163000       0.7846000     79.27158      -122.7 
1 1 1 9  45 8  o -0.5918000     0.7514000     37.48899      76.3   
1 1 1 9  45 9  o 5.285000       0.8665000     232.9363      -177.8 
1 1 1 9  45 10 o 1.197000       0.9881000     138.9627      166.1  
1 1 1 9  45 11 o 1.449000       1.024000      120.9632      -134.9 
1 1 1 9  45 12 o 4.086000       1.697000      344.1105      -135.9 
1 1 1 9  45 13 o 3.108000       0.9883000     160.4085      165.4  
1 1 1 9  45 14 o 1.906000       1.138000      163.4727      153.0  
1 1 1 9  45 15 o -0.8461000     1.241000      78.60087      -149.2 
1 1 1 9  45 16 o 13.41000       1.695000      347.5419      16.5   
1 1 1 9  45 17 o -0.2718000E-01 1.376000      46.96854      -17.2  
1 1 1 9  45 18 o 2.621000       1.308000      92.25134      -28.4  
1 1 1 9  45 19 o 4.173000       1.310000      259.5891      -75.5  
1 1 1 9  45 20 o 0.1960000      1.293000      121.5230      -49.0  
1 1 1 9  45 21 o -0.2401000     1.310000      53.64555      73.5   
1 1 1 9  45 22 o 4.924000       1.378000      226.1454      -130.0 
1 1 1 9  45 23 o 4.226000       1.398000      186.1766      -85.9  
1 1 1 9  45 24 o 3.864000       1.463000      88.38542      -38.5  
1 1 1 9  45 25 o 5.190000       1.503000      220.9710      -172.8 
1 1 1 9  45 26 o 0.2717000      1.966000      127.0230      55.9   
1 1 1 9  45 27 o 0.7616000      1.991000      105.8033      27.5   
1 1 1 9  45 28 o 3.744000       2.068000      202.2700      -114.5 
1 1 1 9  45 29 o -2.047000      2.093000      79.96711      -176.6 
1 1 1 9  45 30 o 0.3895000      1.522000      123.5919      -164.9 
1 1 1 9  45 31 o 0.5329000      1.539000      67.76225      60.6   
1 1 1 9  45 32 o -1.176000      1.542000      67.69634      -64.1  
1 1 1 9  45 33 o 0.9806000      1.553000      ?             ?      
1 1 1 9  45 34 o -1.035000      1.115000      ?             ?      
1 1 1 9  45 35 o 2.081000       1.146000      ?             ?      
1 1 1 9  45 36 o 1.990000       1.566000      ?             ?      
1 1 1 9  45 37 o 2.685000       1.609000      ?             ?      
1 1 1 9  45 38 o -1.302000      2.019000      ?             ?      
1 1 1 9  45 39 o 0.2318000      1.031000      ?             ?      
1 1 1 9  45 40 o 1.692000       1.045000      ?             ?      
1 1 1 9  45 41 o 0.5724000      1.025000      ?             ?      
1 1 1 9  45 42 o 4.723000       0.7662000     ?             ?      
1 1 1 9  45 43 o 0.1968000      0.8208000     ?             ?      
1 1 1 9  45 44 o 0.1760000E-01  0.7989000     ?             ?      
1 1 1 9  45 45 o 0.7351000E-01  0.9169000     ?             ?      
1 1 1 9  45 46 o -0.2761000     1.083000      ?             ?      
1 1 1 9  45 47 o -0.1558000     1.078000      ?             ?      
1 1 1 9  45 48 o 1.157000       0.9375000     ?             ?      
1 1 1 9  45 49 o 0.5469000      0.9613000     ?             ?      
1 1 1 9  45 50 o 0.6923000      0.9860000     ?             ?      
1 1 1 9  45 51 o 0.2367000      1.005000      ?             ?      
1 1 1 9  45 52 o 1.492000       1.034000      ?             ?      
1 1 1 9  45 53 o 1.952000       1.073000      ?             ?      
1 1 1 9  45 54 o 2.245000       1.089000      ?             ?      
1 1 1 9  45 55 o 1.199000       1.096000      ?             ?      
1 1 1 9  45 56 o 3.543000       1.381000      ?             ?      
1 1 1 9  46 0  o 2.372000       1.198000      60.83116      90.0   
1 1 1 9  46 1  o 6.650000       0.8786000     292.0165      126.1  
1 1 1 9  46 2  o 2.837000       0.8440000     281.2617      74.3   
1 1 1 9  46 3  o 1.723000       0.8382000     56.53742      42.6   
1 1 1 9  46 4  o -0.1054000     0.9353000     109.4568      -131.5 
1 1 1 9  46 5  o 0.7317000      0.9739000     142.5297      139.0  
1 1 1 9  46 6  o 7.294000       0.9257000     310.8689      115.5  
1 1 1 9  46 7  o 2.066000       0.7969000     121.4687      -42.0  
1 1 1 9  46 8  o 2.863000       0.7992000     219.3351      -141.6 
1 1 1 9  46 9  o 1.825000       0.9068000     178.5206      -24.9  
1 1 1 9  46 10 o 3.593000       1.341000      128.0522      -159.6 
1 1 1 9  46 11 o 4.156000       1.171000      311.6666      -52.1  
1 1 1 9  46 12 o -0.6043000     1.014000      89.54966      50.5   
1 1 1 9  46 13 o 4.210000       1.375000      238.5906      -157.6 
1 1 1 9  46 14 o 5.241000       1.282000      234.7647      177.1  
1 1 1 9  46 15 o 0.1914000      1.316000      70.31301      -67.9  
1 1 1 9  46 16 o -0.3139000     1.299000      100.2388      31.9   
1 1 1 9  46 17 o 2.588000       1.327000      163.8831      -7.8   
1 1 1 9  46 18 o 1.709000       1.349000      54.23793      -68.9  
1 1 1 9  46 19 o 7.158000       1.392000      263.3373      127.7  
1 1 1 9  46 20 o 0.5167000      1.355000      49.31931      -104.5 
1 1 1 9  46 21 o 2.476000       1.386000      156.7007      83.0   
1 1 1 9  46 22 o 3.075000       1.413000      148.4391      -49.9  
1 1 1 9  46 23 o -3.239000      1.434000      33.18696      28.8   
1 1 1 9  46 24 o 12.62000       1.581000      376.8820      34.9   
1 1 1 9  46 25 o -0.9835000     1.505000      219.8094      146.7  
1 1 1 9  46 26 o 10.14000       2.124000      366.0074      45.5   
1 1 1 9  46 27 o -1.993000      1.535000      106.6315      86.5   
1 1 1 9  46 28 o 4.848000       2.186000      173.2188      30.7   
1 1 1 9  46 29 o 0.3220000      1.557000      48.03396      134.4  
1 1 1 9  46 30 o -0.2895000     1.513000      73.40771      129.7  
1 1 1 9  46 31 o 1.766000       1.523000      ?             ?      
1 1 1 9  46 32 o 2.962000       1.567000      ?             ?      
1 1 1 9  46 33 o 1.319000       1.563000      ?             ?      
1 1 1 9  46 34 o 4.955000       1.595000      ?             ?      
1 1 1 9  46 35 o 1.094000       1.136000      ?             ?      
1 1 1 9  46 36 o -1.212000      1.093000      ?             ?      
1 1 1 9  46 37 o 1.534000       1.124000      ?             ?      
1 1 1 9  46 38 o 0.1760000      1.565000      ?             ?      
1 1 1 9  46 39 o 3.084000       2.035000      ?             ?      
1 1 1 9  46 40 o 4.592000       1.655000      ?             ?      
1 1 1 9  46 41 o 1.493000       1.128000      ?             ?      
1 1 1 9  46 42 o -0.7047000     1.111000      ?             ?      
1 1 1 9  46 43 o 1.327000       0.7215000     ?             ?      
1 1 1 9  46 44 o 0.4644000      0.7428000     ?             ?      
1 1 1 9  46 45 o 0.6338000      0.7519000     ?             ?      
1 1 1 9  46 46 o 0.4986000      0.8973000     ?             ?      
1 1 1 9  46 47 o 0.6594000      1.093000      ?             ?      
1 1 1 9  46 48 o -0.1192000     1.073000      ?             ?      
1 1 1 9  46 49 o 2.278000       0.9450000     ?             ?      
1 1 1 9  46 50 o 1.999000       0.9548000     ?             ?      
1 1 1 9  46 51 o 1.227000       1.027000      ?             ?      
1 1 1 9  46 52 o -0.6092000E-01 1.059000      ?             ?      
1 1 1 9  46 53 o 0.3048000      1.094000      ?             ?      
1 1 1 9  46 54 o 1.428000       1.083000      ?             ?      
1 1 1 9  46 55 o 0.9811000      1.288000      ?             ?      
1 1 1 9  47 0  o 3.949000       1.254000      204.4892      -90.0  
1 1 1 9  47 1  o 9.232000       0.9375000     351.5705      123.5  
1 1 1 9  47 2  o -0.8685000     0.8648000     118.0882      -36.0  
1 1 1 9  47 3  o 1.770000       0.8711000     30.37465      -161.3 
1 1 1 9  47 4  o 7.971000       1.030000      367.6853      -114.1 
1 1 1 9  47 5  o 1.994000       1.008000      120.1502      107.8  
1 1 1 9  47 6  o 0.6266000      0.9024000     128.1771      -59.6  
1 1 1 9  47 7  o 3.304000       0.8891000     123.7392      -172.3 
1 1 1 9  47 8  o -0.4703000     0.9436000     78.05056      38.4   
1 1 1 9  47 9  o 3.983000       0.8928000     222.8678      165.3  
1 1 1 9  47 10 o -0.2273000     1.511000      160.6915      159.1  
1 1 1 9  47 11 o 4.127000       1.678000      275.7270      -86.8  
1 1 1 9  47 12 o 0.1989000      1.005000      149.9380      -28.1  
1 1 1 9  47 13 o 2.205000       1.186000      93.25639      -126.2 
1 1 1 9  47 14 o 7.935000       1.320000      308.5960      11.0   
1 1 1 9  47 15 o 2.711000       1.320000      238.4339      17.2   
1 1 1 9  47 16 o 9.176000       1.382000      351.3030      6.0    
1 1 1 9  47 17 o 15.55000       1.500000      449.9855      -142.0 
1 1 1 9  47 18 o 5.627000       1.399000      280.5219      -83.3  
1 1 1 9  47 19 o 0.3259000      1.380000      35.16730      33.0   
1 1 1 9  47 20 o 2.598000       1.407000      95.47654      12.7   
1 1 1 9  47 21 o 3.327000       1.425000      125.5275      154.7  
1 1 1 9  47 22 o 6.634000       1.479000      275.7736      175.4  
1 1 1 9  47 23 o -1.329000      1.434000      177.9245      139.9  
1 1 1 9  47 24 o 1.376000       1.483000      225.5765      -130.5 
1 1 1 9  47 25 o 8.770000       2.074000      395.0617      123.1  
1 1 1 9  47 26 o 11.99000       2.199000      412.2420      -173.0 
1 1 1 9  47 27 o 15.05000       2.317000      458.6532      112.0  
1 1 1 9  47 28 o 2.772000       2.142000      120.7530      156.0  
1 1 1 9  47 29 o 5.098000       1.535000      ?             ?      
1 1 1 9  47 30 o 1.360000       1.515000      ?             ?      
1 1 1 9  47 31 o 1.544000       1.550000      ?             ?      
1 1 1 9  47 32 o 7.765000       1.620000      ?             ?      
1 1 1 9  47 33 o 0.5636000      1.569000      ?             ?      
1 1 1 9  47 34 o 0.1490000      1.529000      ?             ?      
1 1 1 9  47 35 o -1.072000      1.062000      ?             ?      
1 1 1 9  47 36 o -0.4031000     1.516000      ?             ?      
1 1 1 9  47 37 o -0.5917000     1.075000      ?             ?      
1 1 1 9  47 38 o -1.466000      1.070000      ?             ?      
1 1 1 9  47 39 o -0.2968000     1.573000      ?             ?      
1 1 1 9  47 40 o -0.3010000E-01 2.015000      ?             ?      
1 1 1 9  47 41 o 3.081000       2.773000      ?             ?      
1 1 1 9  47 42 o -1.616000      2.071000      ?             ?      
1 1 1 9  47 43 o -0.1279000     1.073000      ?             ?      
1 1 1 9  47 44 o 2.590000       1.048000      ?             ?      
1 1 1 9  47 45 o 1.064000       0.7051000     ?             ?      
1 1 1 9  47 46 f 0.9793000      0.7402000     ?             ?      
1 1 1 9  47 47 o 2.507000       0.8990000     ?             ?      
1 1 1 9  47 48 f 0.5996000      0.9171000     ?             ?      
1 1 1 9  47 49 o 1.552000       1.127000      ?             ?      
1 1 1 9  47 50 o -0.5357000     0.9574000     ?             ?      
1 1 1 9  47 51 o -0.4220000     0.9775000     ?             ?      
1 1 1 9  47 52 o -0.9234000     0.9892000     ?             ?      
1 1 1 9  47 53 o -0.1059000     1.040000      ?             ?      
1 1 1 9  48 0  f 9.981000       1.360000      501.5715      90.0   
1 1 1 9  48 1  o -0.6638000     0.8979000     124.3659      149.0  
1 1 1 9  48 2  o 0.9536000      0.8908000     140.7885      -89.6  
1 1 1 9  48 3  o 3.040000       0.9109000     241.6308      -71.9  
1 1 1 9  48 4  o -0.9455000     0.9576000     88.98557      -124.3 
1 1 1 9  48 5  o 3.737000       1.037000      131.5084      28.8   
1 1 1 9  48 6  o 4.093000       0.9793000     340.2318      80.0   
1 1 1 9  48 7  o 0.7184000      1.214000      209.6715      -148.1 
1 1 1 9  48 8  o -0.1630000     1.683000      146.9782      160.9  
1 1 1 9  48 9  o 1.785000       0.7903000     143.3980      -6.2   
1 1 1 9  48 10 o 8.859000       1.021000      412.5033      157.1  
1 1 1 9  48 11 o 2.572000       1.135000      118.3937      -170.4 
1 1 1 9  48 12 o 0.9788000      0.9021000     205.1212      -89.2  
1 1 1 9  48 13 o 2.827000       1.217000      181.7185      -176.5 
1 1 1 9  48 14 o 3.990000       1.352000      194.8659      91.8   
1 1 1 9  48 15 o -0.1058000     1.306000      169.5411      -8.0   
1 1 1 9  48 16 o 2.498000       1.355000      282.4247      -91.0  
1 1 1 9  48 17 o 1.733000       1.370000      237.6580      110.2  
1 1 1 9  48 18 o 2.151000       1.368000      57.49128      -108.1 
1 1 1 9  48 19 o -0.9184000     1.393000      68.82423      -39.0  
1 1 1 9  48 20 o 5.513000       1.459000      296.9904      -160.8 
1 1 1 9  48 21 o 9.274000       1.499000      303.1577      73.9   
1 1 1 9  48 22 o 2.172000       1.452000      188.6397      -101.0 
1 1 1 9  48 23 o 1.516000       1.438000      150.7755      130.7  
1 1 1 9  48 24 o 0.7866000E-01  1.941000      97.05717      -145.8 
1 1 1 9  48 25 o 2.568000       2.001000      314.2389      -93.4  
1 1 1 9  48 26 o 5.164000       1.578000      ?             ?      
1 1 1 9  48 27 o 7.797000       2.228000      ?             ?      
1 1 1 9  48 28 o 0.4656000      1.515000      ?             ?      
1 1 1 9  48 29 o 0.7664000      1.494000      ?             ?      
1 1 1 9  48 30 o 2.971000       1.510000      ?             ?      
1 1 1 9  48 31 o 4.406000       1.531000      ?             ?      
1 1 1 9  48 32 o -1.246000      1.510000      ?             ?      
1 1 1 9  48 33 o 4.095000       1.573000      ?             ?      
1 1 1 9  48 34 o 1.394000       1.528000      ?             ?      
1 1 1 9  48 35 o 7.249000       1.611000      ?             ?      
1 1 1 9  48 36 o 3.907000       1.564000      ?             ?      
1 1 1 9  48 37 o 2.831000       1.603000      ?             ?      
1 1 1 9  48 38 o -0.1182000     1.063000      ?             ?      
1 1 1 9  48 39 o -0.5928000     1.070000      ?             ?      
1 1 1 9  48 40 o 3.953000       1.248000      ?             ?      
1 1 1 9  48 41 o 1.386000       2.166000      ?             ?      
1 1 1 9  48 42 o -0.8200000     3.075000      ?             ?      
1 1 1 9  48 43 o -1.486000      1.590000      ?             ?      
1 1 1 9  48 44 o -0.7065000     1.084000      ?             ?      
1 1 1 9  48 45 o -1.286000      0.9960000     ?             ?      
1 1 1 9  48 46 o 1.492000       0.6900000     ?             ?      
1 1 1 9  48 47 o 0.2262000      0.7213000     ?             ?      
1 1 1 9  48 48 o 0.6256000      0.7852000     ?             ?      
1 1 1 9  48 49 o 1.954000       0.9233000     ?             ?      
1 1 1 9  48 50 o -1.620000      1.224000      ?             ?      
1 1 1 9  48 51 o -0.8741000     1.195000      ?             ?      
1 1 1 9  48 52 o 0.5134000      0.9766000     ?             ?      
1 1 1 9  49 0  o -0.3990000E-01 1.443000      68.72989      90.0   
1 1 1 9  49 1  o 3.405000       0.9727000     122.3999      81.3   
1 1 1 9  49 2  o 2.998000       0.9654000     184.4209      -7.2   
1 1 1 9  49 3  o -1.175000      0.9150000     133.3365      127.4  
1 1 1 9  49 4  o 2.091000       1.183000      198.9091      -69.2  
1 1 1 9  49 5  o -0.2272000     1.154000      57.87561      112.4  
1 1 1 9  49 6  o 5.827000       0.9859000     385.2552      100.2  
1 1 1 9  49 7  o 2.567000       0.9619000     274.5641      178.9  
1 1 1 9  49 8  o 1.370000       0.9302000     212.5316      56.5   
1 1 1 9  49 9  o 1.089000       0.7845000     375.4373      -114.5 
1 1 1 9  49 10 o -0.2518000     0.9141000     122.5287      -5.6   
1 1 1 9  49 11 o 7.705000       1.197000      448.5886      -69.3  
1 1 1 9  49 12 o 5.530000       0.9159000     343.8683      -27.0  
1 1 1 9  49 13 o 4.728000       1.270000      279.8864      2.3    
1 1 1 9  49 14 o 13.95000       1.500000      599.5173      -1.6   
1 1 1 9  49 15 o 6.058000       1.376000      307.7534      -78.2  
1 1 1 9  49 16 o -0.1172000     1.354000      103.7083      -34.2  
1 1 1 9  49 17 o 2.344000       1.375000      224.8605      -96.0  
1 1 1 9  49 18 o 1.670000       1.382000      149.6070      -9.2   
1 1 1 9  49 19 o 1.570000       1.385000      103.4807      75.0   
1 1 1 9  49 20 o 2.356000       1.424000      153.0979      -124.8 
1 1 1 9  49 21 o 1.056000       1.439000      182.6970      -166.4 
1 1 1 9  49 22 o 2.558000       1.448000      175.1739      92.9   
1 1 1 9  49 23 o 1.049000       1.445000      81.28960      37.8   
1 1 1 9  49 24 o 1.090000       1.918000      ?             ?      
1 1 1 9  49 25 o 11.00000       2.093000      ?             ?      
1 1 1 9  49 26 o 4.066000       2.200000      ?             ?      
1 1 1 9  49 27 o 4.363000       2.231000      ?             ?      
1 1 1 9  49 28 o 0.4042000      1.883000      ?             ?      
1 1 1 9  49 29 o 4.434000       1.492000      ?             ?      
1 1 1 9  49 30 o -0.8517000     1.490000      ?             ?      
1 1 1 9  49 31 o -0.1109000     1.471000      ?             ?      
1 1 1 9  49 32 o 0.1766000      1.504000      ?             ?      
1 1 1 9  49 33 o 4.087000       1.526000      ?             ?      
1 1 1 9  49 34 o 0.8650000      1.518000      ?             ?      
1 1 1 9  49 35 o 2.418000       1.542000      ?             ?      
1 1 1 9  49 36 o 5.142000       1.605000      ?             ?      
1 1 1 9  49 37 o 1.390000       1.572000      ?             ?      
1 1 1 9  49 38 o -0.1410000     1.541000      ?             ?      
1 1 1 9  49 39 o 2.987000       2.142000      ?             ?      
1 1 1 9  49 40 f -0.3819000     1.147000      ?             ?      
1 1 1 9  49 41 o 2.455000       1.206000      ?             ?      
1 1 1 9  49 42 o 0.6535000      2.318000      ?             ?      
1 1 1 9  49 43 o -2.574000      1.993000      ?             ?      
1 1 1 9  49 44 o 2.645000       2.027000      ?             ?      
1 1 1 9  49 45 o 1.714000       1.635000      ?             ?      
1 1 1 9  49 46 o -0.2691000     1.154000      ?             ?      
1 1 1 9  49 47 o 0.3971000      1.200000      ?             ?      
1 1 1 9  49 48 o 0.4401000      0.7134000     ?             ?      
1 1 1 9  49 49 o 0.5333000      0.7654000     ?             ?      
1 1 1 9  49 50 o -0.4006000     0.9218000     ?             ?      
1 1 1 9  49 51 o 0.8194000E-01  1.377000      ?             ?      
1 1 1 9  50 0  o 1.452000       1.568000      213.6951      90.0   
1 1 1 9  50 1  o -0.5381000     1.135000      146.8406      -99.6  
1 1 1 9  50 2  o 5.911000       1.414000      304.3042      30.5   
1 1 1 9  50 3  o 2.113000       1.005000      147.5830      83.9   
1 1 1 9  50 4  o 1.526000       1.031000      130.5559      -15.3  
1 1 1 9  50 5  o 0.3883000      1.292000      39.04275      -129.7 
1 1 1 9  50 6  o -0.2573000     1.138000      79.05605      -174.9 
1 1 1 9  50 7  o 7.317000       0.9641000     379.3647      -177.7 
1 1 1 9  50 8  o 3.493000       0.8550000     115.2522      -163.8 
1 1 1 9  50 9  o 6.791000       0.8088000     364.2441      109.0  
1 1 1 9  50 10 o 1.639000       0.9193000     175.5311      -62.3  
1 1 1 9  50 11 o 4.237000       1.167000      309.1389      -111.5 
1 1 1 9  50 12 o 1.096000       0.8891000     95.04726      29.5   
1 1 1 9  50 13 o 11.24000       1.332000      440.8039      47.0   
1 1 1 9  50 14 o 12.77000       1.604000      433.2175      -4.5   
1 1 1 9  50 15 o 1.957000       1.360000      151.1375      -171.8 
1 1 1 9  50 16 o 9.478000       1.443000      451.6148      176.1  
1 1 1 9  50 17 o 9.297000       1.441000      479.8175      92.3   
1 1 1 9  50 18 o 1.892000       1.372000      93.70516      4.9    
1 1 1 9  50 19 o 6.446000       1.428000      269.8036      149.5  
1 1 1 9  50 20 o 4.201000       1.430000      196.0207      159.0  
1 1 1 9  50 21 o 4.716000       1.453000      ?             ?      
1 1 1 9  50 22 o 2.327000       1.445000      ?             ?      
1 1 1 9  50 23 o 1.179000       1.885000      ?             ?      
1 1 1 9  50 24 o 17.22000       2.141000      ?             ?      
1 1 1 9  50 25 o 0.5387000      2.737000      ?             ?      
1 1 1 9  50 26 o 0.3797000      2.442000      ?             ?      
1 1 1 9  50 27 o 1.235000       1.893000      ?             ?      
1 1 1 9  50 28 o 0.5553000      1.863000      ?             ?      
1 1 1 9  50 29 o 6.036000       1.940000      ?             ?      
1 1 1 9  50 30 o 0.6080000      1.893000      ?             ?      
1 1 1 9  50 31 o -1.817000      1.880000      ?             ?      
1 1 1 9  50 32 o 2.491000       1.894000      ?             ?      
1 1 1 9  50 33 o -1.889000      2.823000      ?             ?      
1 1 1 9  50 34 o -2.370000      1.496000      ?             ?      
1 1 1 9  50 35 o 3.469000       1.548000      ?             ?      
1 1 1 9  50 36 o -1.002000      1.535000      ?             ?      
1 1 1 9  50 37 o -2.182000      1.548000      ?             ?      
1 1 1 9  50 38 o 7.117000       1.630000      ?             ?      
1 1 1 9  50 39 o -3.551000      2.086000      ?             ?      
1 1 1 9  50 40 o 4.031000       2.153000      ?             ?      
1 1 1 9  50 41 o 2.888000       2.315000      ?             ?      
1 1 1 9  50 42 o 0.6140000      1.063000      ?             ?      
1 1 1 9  50 43 o -1.494000      1.104000      ?             ?      
1 1 1 9  50 44 o 1.926000       2.043000      ?             ?      
1 1 1 9  50 45 o 0.1149000      2.656000      ?             ?      
1 1 1 9  50 46 o 0.1657000      1.751000      ?             ?      
1 1 1 9  50 47 o -1.803000      1.296000      ?             ?      
1 1 1 9  50 48 o 1.838000       2.325000      ?             ?      
1 1 1 9  50 49 o -1.404000      1.202000      ?             ?      
1 1 1 9  50 50 o -1.260000      0.8458000     ?             ?      
1 1 1 9  51 0  o 6.241000       1.442000      346.7607      90.0   
1 1 1 9  51 1  o 6.038000       1.230000      306.0905      178.0  
1 1 1 9  51 2  o 1.874000       1.533000      277.9407      -104.2 
1 1 1 9  51 3  o 6.066000       1.181000      318.4449      142.5  
1 1 1 9  51 4  o 9.817000       1.111000      487.6636      -4.7   
1 1 1 9  51 5  o 3.760000       1.189000      307.7577      31.5   
1 1 1 9  51 6  o 7.594000       1.530000      438.0040      171.7  
1 1 1 9  51 7  o 4.760000       1.080000      250.7470      -148.5 
1 1 1 9  51 8  o 2.484000       0.8614000     251.1691      69.9   
1 1 1 9  51 9  o 1.479000       0.7967000     200.7334      -40.6  
1 1 1 9  51 10 o 7.111000       1.218000      358.6393      26.1   
1 1 1 9  51 11 o 4.688000       1.074000      282.2297      11.3   
1 1 1 9  51 12 o 8.963000       1.317000      425.4584      53.4   
1 1 1 9  51 13 o 0.5161000      1.327000      82.30140      -104.4 
1 1 1 9  51 14 o 4.685000       1.470000      306.3239      -79.5  
1 1 1 9  51 15 o -1.080000      1.313000      150.8676      -146.7 
1 1 1 9  51 16 o 2.731000       1.351000      199.4655      -91.2  
1 1 1 9  51 17 o 4.357000       1.381000      ?             ?      
1 1 1 9  51 18 o 4.480000       1.403000      ?             ?      
1 1 1 9  51 19 o 2.576000       1.404000      ?             ?      
1 1 1 9  51 20 o 1.520000       1.398000      ?             ?      
1 1 1 9  51 21 o 4.773000       1.442000      ?             ?      
1 1 1 9  51 22 o 1.517000       1.408000      ?             ?      
1 1 1 9  51 23 o 4.211000       2.204000      ?             ?      
1 1 1 9  51 24 o 1.849000       3.572000      ?             ?      
1 1 1 9  51 25 o 0.2870000      2.600000      ?             ?      
1 1 1 9  51 26 o 3.605000       2.418000      ?             ?      
1 1 1 9  51 27 o 4.102000       1.908000      ?             ?      
1 1 1 9  51 28 o 4.779000       1.891000      ?             ?      
1 1 1 9  51 29 o 5.492000       1.874000      ?             ?      
1 1 1 9  51 30 o -0.4458000     1.854000      ?             ?      
1 1 1 9  51 31 o 2.304000       1.883000      ?             ?      
1 1 1 9  51 32 o 2.768000       1.932000      ?             ?      
1 1 1 9  51 33 o 4.858000       1.944000      ?             ?      
1 1 1 9  51 34 o 1.906000       1.931000      ?             ?      
1 1 1 9  51 35 o -0.2580000E-01 1.927000      ?             ?      
1 1 1 9  51 36 o 2.938000       1.944000      ?             ?      
1 1 1 9  51 37 o 0.5700000E-01  1.947000      ?             ?      
1 1 1 9  51 38 o -1.585000      2.052000      ?             ?      
1 1 1 9  51 39 o 1.860000       2.066000      ?             ?      
1 1 1 9  51 40 f -1.691000      2.231000      ?             ?      
1 1 1 9  51 41 o -0.3131000E-01 2.258000      ?             ?      
1 1 1 9  51 42 o -1.182000      1.577000      ?             ?      
1 1 1 9  51 43 o 1.858000       1.161000      ?             ?      
1 1 1 9  51 44 f 2.242000       1.301000      ?             ?      
1 1 1 9  51 45 o -0.1437000     1.011000      ?             ?      
1 1 1 9  51 46 o 3.194000       2.779000      ?             ?      
1 1 1 9  51 47 o 1.436000       2.748000      ?             ?      
1 1 1 9  51 48 o 1.108000       1.804000      ?             ?      
1 1 1 9  51 49 < 0.000000       -1.000000     ?             ?      
1 1 1 9  52 0  o 8.345000       1.494000      464.8732      -90.0  
1 1 1 9  52 1  o 2.936000       1.071000      266.8896      54.2   
1 1 1 9  52 2  o -0.3944000     1.047000      102.8405      1.0    
1 1 1 9  52 3  o 2.021000       0.9812000     176.5417      154.7  
1 1 1 9  52 4  o 2.267000       0.9394000     294.7022      -82.7  
1 1 1 9  52 5  o 1.540000       1.313000      186.9944      -139.9 
1 1 1 9  52 6  o 0.1445000E-01  1.344000      164.1029      119.5  
1 1 1 9  52 7  o 5.402000       1.025000      379.6932      -136.1 
1 1 1 9  52 8  o 0.2205000      0.8355000     107.2234      -176.0 
1 1 1 9  52 9  o 2.108000       0.8069000     228.5587      149.4  
1 1 1 9  52 10 o 5.190000       1.239000      270.1269      -147.1 
1 1 1 9  52 11 o 0.3607000      1.014000      132.5783      -157.9 
1 1 1 9  52 12 o -0.7130000     0.8289000     96.39520      139.4  
1 1 1 9  52 13 o -1.493000      1.412000      ?             ?      
1 1 1 9  52 14 o 2.686000       1.311000      ?             ?      
1 1 1 9  52 15 o -0.1975000E-01 1.310000      ?             ?      
1 1 1 9  52 16 o 2.922000       1.333000      ?             ?      
1 1 1 9  52 17 o 1.032000       1.347000      ?             ?      
1 1 1 9  52 18 o 1.112000       1.366000      ?             ?      
1 1 1 9  52 19 o 0.2108000      1.353000      ?             ?      
1 1 1 9  52 20 o 0.5885000      1.362000      ?             ?      
1 1 1 9  52 21 o -1.965000      1.365000      ?             ?      
1 1 1 9  52 22 o 1.317000       2.410000      ?             ?      
1 1 1 9  52 23 o 2.327000       2.566000      ?             ?      
1 1 1 9  52 24 o -1.661000      2.688000      ?             ?      
1 1 1 9  52 25 o 4.937000       2.413000      ?             ?      
1 1 1 9  52 26 o 1.186000       1.849000      ?             ?      
1 1 1 9  52 27 o -1.868000      1.811000      ?             ?      
1 1 1 9  52 28 o 0.6332000      1.862000      ?             ?      
1 1 1 9  52 29 o 1.147000       1.846000      ?             ?      
1 1 1 9  52 30 o 2.195000       1.859000      ?             ?      
1 1 1 9  52 31 o 3.234000       1.855000      ?             ?      
1 1 1 9  52 32 o 2.196000       1.876000      ?             ?      
1 1 1 9  52 33 o 1.242000       1.908000      ?             ?      
1 1 1 9  52 34 o 0.2045000      1.897000      ?             ?      
1 1 1 9  52 35 o 1.687000       1.924000      ?             ?      
1 1 1 9  52 36 o 4.050000       2.957000      ?             ?      
1 1 1 9  52 37 o 0.8740000      1.964000      ?             ?      
1 1 1 9  52 38 o -0.1817000     2.400000      ?             ?      
1 1 1 9  52 39 o -2.719000      2.964000      ?             ?      
1 1 1 9  52 40 o -0.8348000     2.209000      ?             ?      
1 1 1 9  52 41 o 2.199000       1.587000      ?             ?      
1 1 1 9  52 42 o 1.153000       0.9507000     ?             ?      
1 1 1 9  52 43 o 2.591000       1.001000      ?             ?      
1 1 1 9  52 44 o -0.3882000     0.9964000     ?             ?      
1 1 1 9  52 45 o -0.1361000     1.316000      ?             ?      
1 1 1 9  52 46 o -0.5196000     1.357000      ?             ?      
1 1 1 9  52 47 o -0.5477000     1.212000      ?             ?      
1 1 1 9  53 0  o 1.742000       1.559000      146.1005      -90.0  
1 1 1 9  53 1  o 5.686000       0.9813000     335.8318      -123.1 
1 1 1 9  53 2  o 14.78000       1.053000      483.2518      -112.1 
1 1 1 9  53 3  o 2.050000       1.033000      ?             ?      
1 1 1 9  53 4  o 10.91000       1.084000      ?             ?      
1 1 1 9  53 5  o 0.9567000      1.245000      ?             ?      
1 1 1 9  53 6  o 0.2576000      1.211000      ?             ?      
1 1 1 9  53 7  o 4.941000       1.002000      ?             ?      
1 1 1 9  53 8  o 4.234000       0.8680000     ?             ?      
1 1 1 9  53 9  o 3.971000       0.8009000     ?             ?      
1 1 1 9  53 10 o -0.1493000     0.7233000     ?             ?      
1 1 1 9  53 11 o 1.199000       0.8569000     ?             ?      
1 1 1 9  53 12 o -0.1844000     0.8072000     ?             ?      
1 1 1 9  53 13 o 4.781000       1.495000      ?             ?      
1 1 1 9  53 14 o 2.974000       1.301000      ?             ?      
1 1 1 9  53 15 o 1.587000       1.310000      ?             ?      
1 1 1 9  53 16 o 5.877000       1.376000      ?             ?      
1 1 1 9  53 17 o 2.726000       1.343000      ?             ?      
1 1 1 9  53 18 o 2.670000       1.346000      ?             ?      
1 1 1 9  53 19 o 0.3621000      1.339000      ?             ?      
1 1 1 9  53 20 o 1.939000       1.340000      ?             ?      
1 1 1 9  53 21 o 2.211000       1.743000      ?             ?      
1 1 1 9  53 22 o 2.576000       2.165000      ?             ?      
1 1 1 9  53 24 o 2.747000       2.551000      ?             ?      
1 1 1 9  53 25 o -4.502000      2.273000      ?             ?      
1 1 1 9  53 26 o 0.8487000      1.816000      ?             ?      
1 1 1 9  53 27 o 0.8280000      1.818000      ?             ?      
1 1 1 9  53 28 o 2.014000       1.844000      ?             ?      
1 1 1 9  53 29 o 2.327000       1.859000      ?             ?      
1 1 1 9  53 30 o 3.357000       1.850000      ?             ?      
1 1 1 9  53 31 o 7.763000       1.906000      ?             ?      
1 1 1 9  53 32 o 0.5379000E-01  1.855000      ?             ?      
1 1 1 9  53 33 o 0.2046000      1.910000      ?             ?      
1 1 1 9  53 34 o 1.813000       1.918000      ?             ?      
1 1 1 9  53 35 o -2.308000      1.902000      ?             ?      
1 1 1 9  53 36 o 2.284000       1.975000      ?             ?      
1 1 1 9  53 37 o -4.650000      2.367000      ?             ?      
1 1 1 9  53 38 o 3.176000       4.022000      ?             ?      
1 1 1 9  53 39 o -3.669000      4.256000      ?             ?      
1 1 1 9  53 40 o 2.192000       2.647000      ?             ?      
1 1 1 9  53 41 o -1.392000      2.664000      ?             ?      
1 1 1 9  53 42 o -0.4956000     2.689000      ?             ?      
1 1 1 9  53 43 o -0.2193000E-01 0.9298000     ?             ?      
1 1 1 9  53 44 o -1.941000      0.9645000     ?             ?      
1 1 1 9  53 45 o 5.025000       1.053000      ?             ?      
1 1 1 9  53 46 < 0.000000       -1.000000     ?             ?      
1 1 1 9  54 0  o 8.149000       1.569000      ?             ?      
1 1 1 9  54 1  o 4.634000       0.9415000     ?             ?      
1 1 1 9  54 2  o 1.302000       0.9206000     ?             ?      
1 1 1 9  54 3  o 2.172000       0.9305000     ?             ?      
1 1 1 9  54 4  o 9.935000       0.9514000     ?             ?      
1 1 1 9  54 5  o 1.458000       1.134000      ?             ?      
1 1 1 9  54 6  o 5.102000       1.215000      ?             ?      
1 1 1 9  54 7  o 5.692000       1.049000      ?             ?      
1 1 1 9  54 8  o 1.717000       0.8696000     ?             ?      
1 1 1 9  54 9  o 4.421000       0.7838000     ?             ?      
1 1 1 9  54 10 o 1.637000       0.6900000     ?             ?      
1 1 1 9  54 11 o 0.7429000      0.8455000     ?             ?      
1 1 1 9  54 12 o 0.7928000      1.415000      ?             ?      
1 1 1 9  54 13 o 4.636000       1.555000      ?             ?      
1 1 1 9  54 14 o 4.214000       1.970000      ?             ?      
1 1 1 9  54 15 o 3.588000       1.338000      ?             ?      
1 1 1 9  54 16 o 3.330000       1.335000      ?             ?      
1 1 1 9  54 17 o -0.8491000     1.312000      ?             ?      
1 1 1 9  54 18 o 1.614000       1.323000      ?             ?      
1 1 1 9  54 19 o -0.1970000     1.306000      ?             ?      
1 1 1 9  54 20 o -0.8745000     1.707000      ?             ?      
1 1 1 9  54 21 o 3.316000       2.071000      ?             ?      
1 1 1 9  54 22 o 3.625000       2.504000      ?             ?      
1 1 1 9  54 23 o 1.819000       2.642000      ?             ?      
1 1 1 9  54 24 o 3.191000       2.324000      ?             ?      
1 1 1 9  54 25 o 0.2435000      1.825000      ?             ?      
1 1 1 9  54 26 o 2.549000       1.802000      ?             ?      
1 1 1 9  54 27 o 3.312000       1.812000      ?             ?      
1 1 1 9  54 28 o 1.176000       1.802000      ?             ?      
1 1 1 9  54 29 o 1.600000       1.853000      ?             ?      
1 1 1 9  54 30 o 2.661000       1.849000      ?             ?      
1 1 1 9  54 31 o 0.5069000      1.836000      ?             ?      
1 1 1 9  54 32 o -2.196000      1.836000      ?             ?      
1 1 1 9  54 33 o 1.628000       1.894000      ?             ?      
1 1 1 9  54 34 o -0.8179000     1.957000      ?             ?      
1 1 1 9  54 35 o 3.097000       1.966000      ?             ?      
1 1 1 9  54 36 o -2.742000      2.367000      ?             ?      
1 1 1 9  54 37 o 0.1550000      2.376000      ?             ?      
1 1 1 9  54 40 o 3.948000       2.698000      ?             ?      
1 1 1 9  54 41 o -1.904000      2.731000      ?             ?      
1 1 1 9  54 42 o -0.9605000     2.711000      ?             ?      
1 1 1 9  54 43 o 3.816000       2.800000      ?             ?      
1 1 1 9  54 44 < 0.000000       -1.000000     ?             ?      
1 1 1 9  55 0  o -1.006000      1.305000      ?             ?      
1 1 1 9  55 1  o 0.5606000      0.9057000     ?             ?      
1 1 1 9  55 2  o 5.785000       0.9458000     ?             ?      
1 1 1 9  55 3  o 13.30000       1.002000      ?             ?      
1 1 1 9  55 4  o 1.077000       0.8989000     ?             ?      
1 1 1 9  55 5  o -0.7187000     1.169000      ?             ?      
1 1 1 9  55 6  o 3.801000       1.125000      ?             ?      
1 1 1 9  55 7  o 1.561000       0.9201000     ?             ?      
1 1 1 9  55 8  o -0.2824000     0.7675000     ?             ?      
1 1 1 9  55 9  o 1.568000       0.6963000     ?             ?      
1 1 1 9  55 10 o -0.2870000     0.6568000     ?             ?      
1 1 1 9  55 11 o 0.2347000      0.8161000     ?             ?      
1 1 1 9  55 12 o 8.693000       1.900000      ?             ?      
1 1 1 9  55 13 o 1.960000       1.487000      ?             ?      
1 1 1 9  55 14 o 2.822000       1.310000      ?             ?      
1 1 1 9  55 15 o 0.8625000      0.9684000     ?             ?      
1 1 1 9  55 16 o -0.7177000     0.9010000     ?             ?      
1 1 1 9  55 17 o 0.2754000      0.9311000     ?             ?      
1 1 1 9  55 18 o -0.4931000     1.324000      ?             ?      
1 1 1 9  55 19 o -1.323000      1.326000      ?             ?      
1 1 1 9  55 20 o -0.3194000     1.981000      ?             ?      
1 1 1 9  55 21 o 1.130000       2.349000      ?             ?      
1 1 1 9  55 22 o 2.454000       2.664000      ?             ?      
1 1 1 9  55 23 o 0.8200000E-01  2.552000      ?             ?      
1 1 1 9  55 24 o 7.756000       2.449000      ?             ?      
1 1 1 9  55 25 o 1.813000       1.826000      ?             ?      
1 1 1 9  55 26 o 2.380000       1.817000      ?             ?      
1 1 1 9  55 27 o 1.006000       1.824000      ?             ?      
1 1 1 9  55 28 o 7.110000       1.918000      ?             ?      
1 1 1 9  55 29 o -1.851000      1.825000      ?             ?      
1 1 1 9  55 30 o 0.5742000      1.832000      ?             ?      
1 1 1 9  55 31 o -1.349000      1.912000      ?             ?      
1 1 1 9  55 32 o 4.671000       1.928000      ?             ?      
1 1 1 9  55 33 o 6.328000       1.944000      ?             ?      
1 1 1 9  55 34 o 0.4261000      1.923000      ?             ?      
1 1 1 9  55 35 o -1.857000      1.940000      ?             ?      
1 1 1 9  55 36 o 1.113000       2.577000      ?             ?      
1 1 1 9  55 39 o 3.727000       2.717000      ?             ?      
1 1 1 9  55 40 o 2.614000       2.733000      ?             ?      
1 1 1 9  55 41 o -0.2699000     2.706000      ?             ?      
1 1 1 9  55 42 o -1.833000      2.723000      ?             ?      
1 1 1 9  56 0  o 3.235000       1.289000      ?             ?      
1 1 1 9  56 1  o 4.579000       0.9204000     ?             ?      
1 1 1 9  56 2  o 4.382000       0.9155000     ?             ?      
1 1 1 9  56 3  o 4.569000       0.8975000     ?             ?      
1 1 1 9  56 4  o 1.033000       0.8532000     ?             ?      
1 1 1 9  56 5  o 0.8217000      1.146000      ?             ?      
1 1 1 9  56 6  o 4.760000       1.007000      ?             ?      
1 1 1 9  56 7  o 1.212000       0.8764000     ?             ?      
1 1 1 9  56 8  o 1.467000       0.7565000     ?             ?      
1 1 1 9  56 9  o 0.4501000      0.6698000     ?             ?      
1 1 1 9  56 10 o 0.6623000      0.6484000     ?             ?      
1 1 1 9  56 11 o 0.3047000E-01  0.7724000     ?             ?      
1 1 1 9  56 12 o -0.2623000     1.230000      ?             ?      
1 1 1 9  56 13 o -0.9025000     1.374000      ?             ?      
1 1 1 9  56 14 o 2.794000       1.282000      ?             ?      
1 1 1 9  56 15 o -1.069000      1.286000      ?             ?      
1 1 1 9  56 16 o 2.068000       1.311000      ?             ?      
1 1 1 9  56 17 o -0.7680000     1.301000      ?             ?      
1 1 1 9  56 18 o 1.175000       1.339000      ?             ?      
1 1 1 9  56 19 o -0.1328000     2.247000      ?             ?      
1 1 1 9  56 20 o 2.421000       2.298000      ?             ?      
1 1 1 9  56 21 o 3.405000       3.575000      ?             ?      
1 1 1 9  56 22 o 2.994000       2.670000      ?             ?      
1 1 1 9  56 23 o -1.189000      2.465000      ?             ?      
1 1 1 9  56 24 o -2.404000      2.463000      ?             ?      
1 1 1 9  56 25 o 0.8826000      2.038000      ?             ?      
1 1 1 9  56 26 o -1.209000      1.815000      ?             ?      
1 1 1 9  56 27 o 0.9322000      1.880000      ?             ?      
1 1 1 9  56 28 o 5.323000       1.879000      ?             ?      
1 1 1 9  56 29 o 2.207000       1.848000      ?             ?      
1 1 1 9  56 30 o 1.202000       1.868000      ?             ?      
1 1 1 9  56 31 o 1.208000       1.867000      ?             ?      
1 1 1 9  56 32 o 0.8158000      1.892000      ?             ?      
1 1 1 9  56 33 o 3.251000       2.451000      ?             ?      
1 1 1 9  56 34 o 1.684000       2.471000      ?             ?      
1 1 1 9  56 35 o -1.556000      2.517000      ?             ?      
1 1 1 9  56 36 o -0.3729000     2.757000      ?             ?      
1 1 1 9  56 38 o -0.4427000     2.675000      ?             ?      
1 1 1 9  56 39 o -1.932000      2.754000      ?             ?      
1 1 1 9  56 40 < 0.000000       -1.000000     ?             ?      
1 1 1 9  56 41 o -2.001000      2.798000      ?             ?      
1 1 1 9  57 0  o -1.982000      1.231000      ?             ?      
1 1 1 9  57 1  o -0.3894000     0.8695000     ?             ?      
1 1 1 9  57 2  o 1.632000       0.8628000     ?             ?      
1 1 1 9  57 3  o 2.668000       0.8608000     ?             ?      
1 1 1 9  57 4  o 1.599000       0.8972000     ?             ?      
1 1 1 9  57 5  o 0.3393000      0.8687000     ?             ?      
1 1 1 9  57 6  o 1.357000       0.9583000     ?             ?      
1 1 1 9  57 7  o -1.412000      0.9127000     ?             ?      
1 1 1 9  57 8  o -0.6847000     0.7018000     ?             ?      
1 1 1 9  57 9  o -0.5873000     0.6513000     ?             ?      
1 1 1 9  57 10 o 1.220000       0.6444000     ?             ?      
1 1 1 9  57 11 o 0.3002000      0.7713000     ?             ?      
1 1 1 9  57 12 o 0.2678000      1.564000      ?             ?      
1 1 1 9  57 13 o 6.842000       1.419000      ?             ?      
1 1 1 9  57 14 o -0.1790000     1.249000      ?             ?      
1 1 1 9  57 15 o -1.249000      1.272000      ?             ?      
1 1 1 9  57 16 o -0.8150000     1.265000      ?             ?      
1 1 1 9  57 17 o 0.7921000      1.319000      ?             ?      
1 1 1 9  57 18 o -1.123000      1.717000      ?             ?      
1 1 1 9  57 19 o 1.266000       2.154000      ?             ?      
1 1 1 9  57 20 o 0.7805000      2.471000      ?             ?      
1 1 1 9  57 21 o 1.218000       2.541000      ?             ?      
1 1 1 9  57 22 o -2.047000      2.511000      ?             ?      
1 1 1 9  57 23 o 1.359000       2.297000      ?             ?      
1 1 1 9  57 24 o 0.2487000      2.339000      ?             ?      
1 1 1 9  57 25 o -1.289000      2.339000      ?             ?      
1 1 1 9  57 26 o -2.642000      2.390000      ?             ?      
1 1 1 9  57 27 o -0.4690000     2.114000      ?             ?      
1 1 1 9  57 28 o 4.177000       2.143000      ?             ?      
1 1 1 9  57 29 o 0.3400000      2.126000      ?             ?      
1 1 1 9  57 30 o 0.4319000      3.122000      ?             ?      
1 1 1 9  57 31 o 1.208000       2.467000      ?             ?      
1 1 1 9  57 32 o 1.965000       2.536000      ?             ?      
1 1 1 9  57 33 o -1.568000      2.461000      ?             ?      
1 1 1 9  57 34 o 0.3823000      2.533000      ?             ?      
1 1 1 9  57 35 o -1.981000      2.552000      ?             ?      
1 1 1 9  57 37 o -1.411000      3.683000      ?             ?      
1 1 1 9  57 38 o 2.075000       2.803000      ?             ?      
1 1 1 9  57 39 o 5.207000       2.822000      ?             ?      
1 1 1 9  58 0  o 14.34000       1.447000      ?             ?      
1 1 1 9  58 1  o -0.3370000     0.9469000     ?             ?      
1 1 1 9  58 2  o -0.9795000     0.8532000     ?             ?      
1 1 1 9  58 3  o -0.1683000     0.8575000     ?             ?      
1 1 1 9  58 4  o 1.433000       1.019000      ?             ?      
1 1 1 9  58 5  o 1.196000       0.8307000     ?             ?      
1 1 1 9  58 6  o 3.787000       1.033000      ?             ?      
1 1 1 9  58 7  o 5.648000       1.101000      ?             ?      
1 1 1 9  58 8  o 0.1989000      0.8041000     ?             ?      
1 1 1 9  58 9  o -0.6257000     0.6361000     ?             ?      
1 1 1 9  58 10 o 0.3435000      0.7614000     ?             ?      
1 1 1 9  58 11 o 2.422000       0.7547000     ?             ?      
1 1 1 9  58 12 o 1.029000       1.225000      ?             ?      
1 1 1 9  58 13 o 0.4268000E-01  1.342000      ?             ?      
1 1 1 9  58 14 o 1.058000       1.221000      ?             ?      
1 1 1 9  58 15 o 0.5945000      1.236000      ?             ?      
1 1 1 9  58 16 o 1.719000       1.256000      ?             ?      
1 1 1 9  58 17 o 4.138000       1.322000      ?             ?      
1 1 1 9  58 18 o 0.8332000      1.660000      ?             ?      
1 1 1 9  58 19 f 1.297000       2.046000      ?             ?      
1 1 1 9  58 20 o 4.701000       2.513000      ?             ?      
1 1 1 9  58 21 o 2.733000       2.627000      ?             ?      
1 1 1 9  58 22 f 1.857000       2.525000      ?             ?      
1 1 1 9  58 23 o 1.763000       2.721000      ?             ?      
1 1 1 9  58 24 o 3.928000       2.311000      ?             ?      
1 1 1 9  58 25 o 0.8496000      1.840000      ?             ?      
1 1 1 9  58 26 o -4.064000      2.221000      ?             ?      
1 1 1 9  58 27 o 0.7867000      2.429000      ?             ?      
1 1 1 9  58 28 o 0.5541000      2.438000      ?             ?      
1 1 1 9  58 29 o 3.066000       2.465000      ?             ?      
1 1 1 9  58 30 o -1.463000      2.455000      ?             ?      
1 1 1 9  58 31 o 0.7334000      3.240000      ?             ?      
1 1 1 9  58 32 o 2.670000       3.322000      ?             ?      
1 1 1 9  58 34 o 2.761000       2.641000      ?             ?      
1 1 1 9  58 35 o -1.624000      4.118000      ?             ?      
1 1 1 9  58 37 o 0.9689000      2.702000      ?             ?      
1 1 1 9  59 0  o -0.1473000     1.249000      ?             ?      
1 1 1 9  59 1  o 3.709000       0.9518000     ?             ?      
1 1 1 9  59 2  o 7.281000       0.9796000     ?             ?      
1 1 1 9  59 3  o -0.1110000     0.8309000     ?             ?      
1 1 1 9  59 4  o 0.9251000      1.004000      ?             ?      
1 1 1 9  59 5  o 0.8258000      0.7577000     ?             ?      
1 1 1 9  59 6  o 0.1288000      0.8893000     ?             ?      
1 1 1 9  59 7  o 0.5345000      0.8830000     ?             ?      
1 1 1 9  59 8  o -0.2318000     0.6638000     ?             ?      
1 1 1 9  59 9  o 0.7379000      0.6348000     ?             ?      
1 1 1 9  59 10 o 1.276000       0.7754000     ?             ?      
1 1 1 9  59 11 o -0.6577000     0.7372000     ?             ?      
1 1 1 9  59 12 o 0.3432000      1.529000      ?             ?      
1 1 1 9  59 13 o -1.018000      1.339000      ?             ?      
1 1 1 9  59 14 o -0.3694000     1.238000      ?             ?      
1 1 1 9  59 15 o 1.791000       1.250000      ?             ?      
1 1 1 9  59 16 o 1.062000       1.254000      ?             ?      
1 1 1 9  59 17 o 1.227000       1.262000      ?             ?      
1 1 1 9  59 18 o 0.3529000      1.651000      ?             ?      
1 1 1 9  59 19 o -0.9036000     2.018000      ?             ?      
1 1 1 9  59 20 o -1.133000      2.445000      ?             ?      
1 1 1 9  59 21 o -2.302000      1.980000      ?             ?      
1 1 1 9  59 22 o 1.800000       2.277000      ?             ?      
1 1 1 9  59 23 o 1.050000       2.075000      ?             ?      
1 1 1 9  59 24 o -2.522000      2.106000      ?             ?      
1 1 1 9  59 25 o 0.4881000      2.118000      ?             ?      
1 1 1 9  59 26 o -0.9285000     2.186000      ?             ?      
1 1 1 9  59 27 o 2.883000       2.669000      ?             ?      
1 1 1 9  59 28 o -1.860000      2.662000      ?             ?      
1 1 1 9  59 29 o -0.2230000     2.672000      ?             ?      
1 1 1 9  59 30 o 0.7083000      2.335000      ?             ?      
1 1 1 9  59 31 < 0.000000       -1.000000     ?             ?      
1 1 1 9  59 32 o 1.859000       2.610000      ?             ?      
1 1 1 9  59 33 o -2.876000      2.514000      ?             ?      
1 1 1 9  59 34 o -0.3355000     2.563000      ?             ?      
1 1 1 9  59 35 o 4.441000       4.065000      ?             ?      
1 1 1 9  60 0  o -0.5173000     1.176000      ?             ?      
1 1 1 9  60 1  f -0.7187000E-01 0.8419000     ?             ?      
1 1 1 9  60 2  o -0.7263000     0.8644000     ?             ?      
1 1 1 9  60 3  o 1.662000       0.8878000     ?             ?      
1 1 1 9  60 4  o 1.485000       0.9969000     ?             ?      
1 1 1 9  60 5  o 0.4642000E-01  0.7465000     ?             ?      
1 1 1 9  60 6  o 1.581000       0.9162000     ?             ?      
1 1 1 9  60 7  o -0.2212000     0.8695000     ?             ?      
1 1 1 9  60 8  o -0.2204000     0.6629000     ?             ?      
1 1 1 9  60 9  o 1.165000       0.6313000     ?             ?      
1 1 1 9  60 10 o 0.4915000      0.8020000     ?             ?      
1 1 1 9  60 11 o 1.202000       1.235000      ?             ?      
1 1 1 9  60 12 o -0.8098000     1.535000      ?             ?      
1 1 1 9  60 13 o 2.231000       1.361000      ?             ?      
1 1 1 9  60 14 o 1.770000       1.274000      ?             ?      
1 1 1 9  60 15 o 3.179000       1.315000      ?             ?      
1 1 1 9  60 16 o 0.2096000      1.285000      ?             ?      
1 1 1 9  60 17 o 2.942000       1.658000      ?             ?      
1 1 1 9  60 18 o 3.231000       1.994000      ?             ?      
1 1 1 9  60 19 o -1.608000      2.389000      ?             ?      
1 1 1 9  60 20 o -3.974000      3.217000      ?             ?      
1 1 1 9  60 21 o 1.561000       3.107000      ?             ?      
1 1 1 9  60 22 o -0.5651000     2.321000      ?             ?      
1 1 1 9  60 23 o 2.689000       2.070000      ?             ?      
1 1 1 9  60 24 o 3.211000       2.130000      ?             ?      
1 1 1 9  60 25 o -0.7657000     2.097000      ?             ?      
1 1 1 9  60 26 o 0.1470000      2.403000      ?             ?      
1 1 1 9  60 27 o 1.396000       2.155000      ?             ?      
1 1 1 9  60 28 o -0.1045000     2.165000      ?             ?      
1 1 1 9  60 29 o 0.9460000      2.176000      ?             ?      
1 1 1 9  60 30 o 1.897000       2.242000      ?             ?      
1 1 1 9  60 31 o 0.5300000      2.723000      ?             ?      
1 1 1 9  60 32 o 1.425000       2.773000      ?             ?      
1 1 1 9  61 0  o 2.235000       1.183000      ?             ?      
1 1 1 9  61 1  o 0.7441000      0.8273000     ?             ?      
1 1 1 9  61 2  o 0.5700000      0.8591000     ?             ?      
1 1 1 9  61 3  o -0.3415000     0.8778000     ?             ?      
1 1 1 9  61 4  o 0.7707000      0.9899000     ?             ?      
1 1 1 9  61 5  o 1.063000       0.8047000     ?             ?      
1 1 1 9  61 6  o 0.7657000E-01  1.078000      ?             ?      
1 1 1 9  61 7  o -1.915000      0.9109000     ?             ?      
1 1 1 9  61 8  o 0.2462000      0.6743000     ?             ?      
1 1 1 9  61 9  o 3.991000       0.6621000     ?             ?      
1 1 1 9  61 10 o 0.4723000      0.8812000     ?             ?      
1 1 1 9  61 11 o 0.3808000      1.229000      ?             ?      
1 1 1 9  61 12 o 1.443000       1.881000      ?             ?      
1 1 1 9  61 13 o 0.6249000      1.637000      ?             ?      
1 1 1 9  61 14 o 3.699000       1.670000      ?             ?      
1 1 1 9  61 15 o -0.1328000     1.627000      ?             ?      
1 1 1 9  61 16 o -1.871000      1.655000      ?             ?      
1 1 1 9  61 17 o -2.593000      1.981000      ?             ?      
1 1 1 9  61 18 o -1.917000      1.994000      ?             ?      
1 1 1 9  61 19 o -0.2145000     2.440000      ?             ?      
1 1 1 9  61 20 o -1.289000      2.295000      ?             ?      
1 1 1 9  61 21 o -0.6889000     2.348000      ?             ?      
1 1 1 9  61 22 o -0.3175000     2.353000      ?             ?      
1 1 1 9  61 23 o 1.121000       2.123000      ?             ?      
1 1 1 9  61 24 o 1.795000       2.159000      ?             ?      
1 1 1 9  61 25 o -2.615000      2.141000      ?             ?      
1 1 1 9  61 26 o 3.114000       2.223000      ?             ?      
1 1 1 9  61 27 o 1.939000       2.208000      ?             ?      
1 1 1 9  61 28 o 1.277000       2.245000      ?             ?      
1 1 1 9  61 29 o 2.391000       2.303000      ?             ?      
1 1 1 9  61 30 o -1.976000      2.311000      ?             ?      
1 1 1 9  62 0  o -0.2496000     1.168000      ?             ?      
1 1 1 9  62 1  o -0.6510000     0.8285000     ?             ?      
1 1 1 9  62 2  o -0.5828000     0.9110000     ?             ?      
1 1 1 9  62 3  o 2.170000       0.9073000     ?             ?      
1 1 1 9  62 4  o 0.9936000      0.9425000     ?             ?      
1 1 1 9  62 5  o 0.5051000      0.8133000     ?             ?      
1 1 1 9  62 6  o -0.9397000     1.079000      ?             ?      
1 1 1 9  62 7  o 1.968000       0.8816000     ?             ?      
1 1 1 9  62 8  o 1.425000       0.6726000     ?             ?      
1 1 1 9  62 9  o 0.5642000      0.6434000     ?             ?      
1 1 1 9  62 10 o -0.5610000     0.9066000     ?             ?      
1 1 1 9  62 11 o 2.274000       1.936000      ?             ?      
1 1 1 9  62 12 o -3.245000      1.883000      ?             ?      
1 1 1 9  62 13 o -2.543000      1.614000      ?             ?      
1 1 1 9  62 14 o 0.1124000      1.650000      ?             ?      
1 1 1 9  62 15 o 1.333000       1.696000      ?             ?      
1 1 1 9  62 16 o 0.3067000E-01  1.974000      ?             ?      
1 1 1 9  62 17 o 0.9982000      2.040000      ?             ?      
1 1 1 9  62 18 o 2.713000       2.420000      ?             ?      
1 1 1 9  62 19 o -1.314000      3.420000      ?             ?      
1 1 1 9  62 20 o 1.781000       3.042000      ?             ?      
1 1 1 9  62 21 o -1.615000      2.333000      ?             ?      
1 1 1 9  62 22 o -1.912000      2.090000      ?             ?      
1 1 1 9  62 23 o 2.471000       2.140000      ?             ?      
1 1 1 9  62 24 o -2.087000      2.145000      ?             ?      
1 1 1 9  62 25 o -0.7260000     2.187000      ?             ?      
1 1 1 9  62 26 o -7.152000      2.180000      ?             ?      
1 1 1 9  62 27 o 3.918000       2.261000      ?             ?      
1 1 1 9  63 0  o 0.8634000      1.161000      ?             ?      
1 1 1 9  63 1  o 0.1670000      0.8328000     ?             ?      
1 1 1 9  63 2  o 1.438000       0.9046000     ?             ?      
1 1 1 9  63 3  o 2.114000       0.9066000     ?             ?      
1 1 1 9  63 4  o 0.2811000      0.9432000     ?             ?      
1 1 1 9  63 5  o 0.8939000      0.8043000     ?             ?      
1 1 1 9  63 6  o 0.9519000      1.072000      ?             ?      
1 1 1 9  63 7  o -0.7555000     0.8096000     ?             ?      
1 1 1 9  63 8  o -0.3621000E-02 0.6594000     ?             ?      
1 1 1 9  63 9  o -0.1768000E-01 0.6396000     ?             ?      
1 1 1 9  63 10 o -1.539000      1.251000      ?             ?      
1 1 1 9  63 11 o 1.621000       1.906000      ?             ?      
1 1 1 9  63 12 o -1.085000      1.913000      ?             ?      
1 1 1 9  63 13 o -1.297000      1.656000      ?             ?      
1 1 1 9  63 14 o 2.667000       1.685000      ?             ?      
1 1 1 9  63 15 o 0.8755000      1.687000      ?             ?      
1 1 1 9  63 16 o 1.129000       2.001000      ?             ?      
1 1 1 9  63 17 o 1.234000       2.034000      ?             ?      
1 1 1 9  63 18 o 3.603000       3.488000      ?             ?      
1 1 1 9  63 19 o -0.8015000     3.466000      ?             ?      
1 1 1 9  63 20 o 2.629000       3.082000      ?             ?      
1 1 1 9  63 21 o -1.330000      2.145000      ?             ?      
1 1 1 9  63 22 o 1.070000       2.438000      ?             ?      
1 1 1 9  63 23 o 3.372000       2.210000      ?             ?      
1 1 1 9  63 24 o 0.6653000      2.190000      ?             ?      
1 1 1 9  64 0  o 1.331000       1.184000      ?             ?      
1 1 1 9  64 1  o 0.7594000      0.8801000     ?             ?      
1 1 1 9  64 2  o -0.3508000     1.006000      ?             ?      
1 1 1 9  64 3  o -0.4762000     1.027000      ?             ?      
1 1 1 9  64 4  o -0.4559000E-01 0.9280000     ?             ?      
1 1 1 9  64 5  o 1.124000       0.8296000     ?             ?      
1 1 1 9  64 6  o -2.285000      1.031000      ?             ?      
1 1 1 9  64 7  o 0.4436000      0.8248000     ?             ?      
1 1 1 9  64 8  o 1.343000       0.6701000     ?             ?      
1 1 1 9  64 9  o -0.4953000     0.6482000     ?             ?      
1 1 1 9  64 10 o -0.1005000     1.232000      ?             ?      
1 1 1 9  64 11 o 0.1260000      1.869000      ?             ?      
1 1 1 9  64 12 o 0.7020000      1.899000      ?             ?      
1 1 1 9  64 13 o 1.513000       1.683000      ?             ?      
1 1 1 9  64 14 o 1.948000       1.715000      ?             ?      
1 1 1 9  64 15 o -0.2349000     2.026000      ?             ?      
1 1 1 9  64 16 o -1.610000      2.030000      ?             ?      
1 1 1 9  64 17 o 3.518000       2.471000      ?             ?      
1 1 1 9  64 18 o -1.138000      2.557000      ?             ?      
1 1 1 9  64 19 o 1.222000       3.162000      ?             ?      
1 1 1 9  65 0  o -2.163000      1.191000      ?             ?      
1 1 1 9  65 1  o -0.2898000E-01 0.8796000     ?             ?      
1 1 1 9  65 2  o 1.586000       0.9277000     ?             ?      
1 1 1 9  65 3  o -0.8716000     1.095000      ?             ?      
1 1 1 9  65 4  o -0.2309000E-01 0.7868000     ?             ?      
1 1 1 9  65 5  o 0.4846000      0.8309000     ?             ?      
1 1 1 9  65 6  o 0.2312000      1.079000      ?             ?      
1 1 1 9  65 7  o 1.209000       0.8272000     ?             ?      
1 1 1 9  65 8  o -0.8270000     0.6742000     ?             ?      
1 1 1 9  65 9  o 0.6691000      0.8168000     ?             ?      
1 1 1 9  65 10 o 0.5596000E-01  1.235000      ?             ?      
1 1 1 9  65 11 o 2.087000       1.932000      ?             ?      
1 1 1 9  65 12 o 0.4015000      1.808000      ?             ?      
1 1 1 9  65 13 o 1.583000       1.723000      ?             ?      
1 1 1 9  65 14 o -1.488000      0.9176000     ?             ?      
1 1 1 9  65 15 o 0.4139000E-01  2.000000      ?             ?      
1 1 1 9  66 0  o -1.052000      1.230000      ?             ?      
1 1 1 9  66 1  o 0.2792000      0.8905000     ?             ?      
1 1 1 9  66 2  o -0.1057000     0.9528000     ?             ?      
1 1 1 9  66 3  o 0.8714000      1.041000      ?             ?      
1 1 1 9  66 4  o 0.4274000E-01  0.8786000     ?             ?      
1 1 1 9  66 5  o 1.439000       0.8767000     ?             ?      
1 1 1 9  66 6  o 0.3477000      1.074000      ?             ?      
1 1 1 9  66 7  o 0.4110000E-01  0.8503000     ?             ?      
1 1 1 9  66 8  o 0.8860000      0.7142000     ?             ?      
1 1 1 10 0  0  o 1272.000       40.66000      5139.306      180.0  
1 1 1 10 0  1  o 100.9000       2.886000      1504.760      -90.0  
1 1 1 10 0  2  o 193.7000       4.431000      1155.559      -180.0 
1 1 1 10 0  3  o 33.63000       1.441000      98.80187      -90.0  
1 1 1 10 0  4  o 665.1000       15.06000      2644.085      180.0  
1 1 1 10 0  5  o 176.5000       4.947000      1879.635      -90.0  
1 1 1 10 0  6  o 726.9000       18.05000      3607.736      -180.0 
1 1 1 10 0  7  o 97.92000       2.795000      1749.700      -90.0  
1 1 1 10 0  8  o 16.70000       0.9124000     165.5269      0.0    
1 1 1 10 0  9  o 209.8000       11.73000      2052.000      90.0   
1 1 1 10 0  11 o 105.4000       6.055000      1646.598      -90.0  
1 1 1 10 0  12 o 3.100000       0.6429000     181.1370      180.0  
1 1 1 10 0  13 o 32.70000       1.154000      2030.980      -90.0  
1 1 1 10 0  14 o 8.324000       0.6572000     297.8448      -0.0   
1 1 1 10 0  15 o 238.7000       6.731000      1516.006      -90.0  
1 1 1 10 0  16 o 15.06000       0.8469000     834.1052      0.0    
1 1 1 10 0  17 o 53.87000       1.764000      1085.516      -90.0  
1 1 1 10 0  18 o 240.6000       6.818000      2895.107      -0.0   
1 1 1 10 0  19 o 186.9000       5.354000      2771.550      -90.0  
1 1 1 10 0  20 o 25.35000       1.175000      239.1751      0.0    
1 1 1 10 0  21 o 3.390000       0.8775000     138.3417      90.0   
1 1 1 10 0  22 o 89.35000       2.796000      1284.324      0.0    
1 1 1 10 0  23 o 0.6858000      0.9787000     366.8374      -90.0  
1 1 1 10 0  24 o 49.29000       1.861000      1133.859      0.0    
1 1 1 10 0  25 o 90.57000       2.901000      2119.238      90.0   
1 1 1 10 0  26 o 53.05000       2.034000      794.3943      0.0    
1 1 1 10 0  27 o 154.9000       4.656000      1999.937      90.0   
1 1 1 10 0  28 o 49.62000       2.080000      846.7059      -0.0   
1 1 1 10 0  29 o 22.54000       1.676000      884.4681      -90.0  
1 1 1 10 0  30 o 16.80000       1.698000      302.8147      0.0    
1 1 1 10 0  31 o 368.5000       12.15000      2394.896      90.0   
1 1 1 10 0  32 o 381.3000       21.83000      2360.281      180.0  
1 1 1 10 0  33 o 90.04000       4.741000      1251.013      -90.0  
1 1 1 10 0  34 o 193.7000       6.790000      1986.757      -0.0   
1 1 1 10 0  35 o 58.77000       2.604000      816.2568      90.0   
1 1 1 10 0  36 o 442.4000       12.59000      2773.537      0.0    
1 1 1 10 0  37 o 207.6000       6.216000      2217.011      90.0   
1 1 1 10 0  38 o 58.25000       2.464000      1568.711      180.0  
1 1 1 10 0  39 o 65.92000       2.611000      921.5754      -90.0  
1 1 1 10 0  40 o 11.64000       1.595000      741.4985      -180.0 
1 1 1 10 0  41 o 74.37000       2.745000      1271.518      90.0   
1 1 1 10 0  42 o 0.5242000      1.453000      223.0242      -0.0   
1 1 1 10 0  43 o 13.48000       1.767000      629.7662      90.0   
1 1 1 10 0  44 o 10.50000       1.769000      652.7439      0.0    
1 1 1 10 0  45 o 121.6000       4.014000      1600.887      -90.0  
1 1 1 10 0  46 o 2.556000       1.880000      125.0423      0.0    
1 1 1 10 0  47 o 23.66000       2.190000      569.3700      90.0   
1 1 1 10 0  48 o 4.436000       1.647000      206.3475      180.0  
1 1 1 10 0  49 o 4.236000       2.301000      19.46421      90.0   
1 1 1 10 0  51 o 9.682000       2.005000      520.5391      -90.0  
1 1 1 10 0  52 o 88.46000       3.341000      1188.593      180.0  
1 1 1 10 0  53 o 12.67000       1.855000      607.8452      90.0   
1 1 1 10 0  54 o 19.85000       2.026000      682.8138      0.0    
1 1 1 10 0  55 o 140.4000       4.704000      ?             ?      
1 1 1 10 0  56 o 47.55000       2.567000      1210.148      180.0  
1 1 1 10 0  57 o 43.56000       2.506000      962.3945      90.0   
1 1 1 10 0  58 o 6.180000       1.962000      443.3371      -0.0   
1 1 1 10 0  59 o 24.01000       2.173000      796.0710      90.0   
1 1 1 10 0  60 o 21.06000       2.154000      890.1445      0.0    
1 1 1 10 0  61 o 8.026000       2.033000      ?             ?      
1 1 1 10 0  62 o 10.02000       2.069000      ?             ?      
1 1 1 10 0  63 o 6.566000       1.990000      ?             ?      
1 1 1 10 0  64 o 6.657000       2.283000      ?             ?      
1 1 1 10 0  65 o 10.40000       3.021000      ?             ?      
1 1 1 10 0  66 o -0.3188000E-03 2.104000      ?             ?      
1 1 1 10 0  67 o 2.910000       1.881000      ?             ?      
1 1 1 10 0  68 o 17.58000       2.121000      ?             ?      
1 1 1 10 0  69 o 24.01000       2.275000      ?             ?      
1 1 1 10 0  70 o 1.018000       1.932000      ?             ?      
1 1 1 10 0  71 o 9.752000       2.029000      ?             ?      
1 1 1 10 0  72 o 4.042000       1.916000      ?             ?      
1 1 1 10 0  73 o 0.5453000      1.939000      ?             ?      
1 1 1 10 0  74 o 4.672000       1.985000      ?             ?      
1 1 1 10 0  75 o 4.022000       2.027000      ?             ?      
1 1 1 10 0  76 o 4.794000       2.034000      ?             ?      
1 1 1 10 1  0  o 25.97000       0.8856000     338.1464      -0.0   
1 1 1 10 1  1  o 34.60000       0.7704000     861.3188      -86.1  
1 1 1 10 1  2  o 148.2000       2.414000      1815.085      53.4   
1 1 1 10 1  3  o 750.9000       12.02000      3996.651      15.4   
1 1 1 10 1  4  o 183.9000       3.125000      1150.981      86.3   
1 1 1 10 1  5  o 77.24000       1.411000      725.7346      -145.6 
1 1 1 10 1  6  o 544.1000       10.12000      3227.406      62.8   
1 1 1 10 1  7  f 213.7000       4.562000      1860.945      -26.5  
1 1 1 10 1  8  o 131.9000       3.391000      2065.769      -69.8  
1 1 1 10 1  9  o 168.6000       5.801000      1895.749      -57.0  
1 1 1 10 1  10 o 43.84000       2.686000      948.4821      -35.4  
1 1 1 10 1  11 o 245.4000       8.358000      2192.982      44.0   
1 1 1 10 1  12 o 6.237000       0.4849000     1022.074      43.7   
1 1 1 10 1  13 o 53.20000       1.277000      1053.042      -61.7  
1 1 1 10 1  14 o 90.14000       1.881000      1353.670      31.9   
1 1 1 10 1  15 o 6.049000       0.4679000     423.5278      99.0   
1 1 1 10 1  16 o 29.65000       0.8153000     859.4056      -175.1 
1 1 1 10 1  17 o 14.14000       0.6111000     236.4545      -176.2 
1 1 1 10 1  18 o 18.67000       0.6983000     617.2516      -52.7  
1 1 1 10 1  19 o 88.96000       1.919000      918.2849      69.6   
1 1 1 10 1  20 o 54.87000       1.313000      1169.227      -54.7  
1 1 1 10 1  21 o 128.9000       2.694000      1716.431      -118.2 
1 1 1 10 1  22 o 43.45000       1.168000      1012.353      108.3  
1 1 1 10 1  23 o 307.2000       6.153000      2456.002      134.6  
1 1 1 10 1  24 o 134.8000       2.852000      1924.086      -32.4  
1 1 1 10 1  25 o 31.38000       1.079000      594.9218      -109.5 
1 1 1 10 1  26 o 25.49000       1.047000      865.4702      -94.0  
1 1 1 10 1  27 o 62.06000       1.636000      1405.689      -67.4  
1 1 1 10 1  28 o 54.48000       1.552000      786.4023      123.5  
1 1 1 10 1  29 o 781.4000       15.44000      3628.268      76.7   
1 1 1 10 1  30 o 324.4000       6.586000      2457.062      137.4  
1 1 1 10 1  31 o 76.70000       2.592000      894.8447      -153.2 
1 1 1 10 1  32 o 133.6000       5.295000      1671.711      37.0   
1 1 1 10 1  33 o 357.4000       11.99000      2648.380      -108.7 
1 1 1 10 1  34 o 12.88000       1.439000      705.0350      -150.8 
1 1 1 10 1  35 o 51.76000       1.746000      612.7091      147.4  
1 1 1 10 1  36 o 57.87000       1.776000      1107.657      -89.7  
1 1 1 10 1  37 o 12.29000       1.201000      508.0957      159.0  
1 1 1 10 1  38 o 43.17000       1.520000      843.5511      -174.8 
1 1 1 10 1  39 o 36.86000       1.409000      1388.455      -128.8 
1 1 1 10 1  40 o 28.06000       1.289000      1133.772      -70.6  
1 1 1 10 1  41 o 25.09000       1.331000      792.4647      88.8   
1 1 1 10 1  42 o 10.91000       1.099000      434.6133      26.4   
1 1 1 10 1  43 o 9.367000       1.189000      483.6336      14.9   
1 1 1 10 1  44 o 7.344000       1.373000      270.7482      145.1  
1 1 1 10 1  45 o 43.88000       1.853000      936.9145      -128.0 
1 1 1 10 1  46 o 85.00000       2.366000      1397.872      -66.5  
1 1 1 10 1  47 o 57.80000       1.905000      1073.410      66.5   
1 1 1 10 1  48 o 52.67000       2.179000      1152.198      77.8   
1 1 1 10 1  49 o 1.315000       1.847000      137.2091      -11.9  
1 1 1 10 1  50 o 15.84000       2.339000      677.7216      109.1  
1 1 1 10 1  51 o 24.28000       1.638000      707.9647      166.8  
1 1 1 10 1  52 o 48.57000       1.863000      1028.446      32.7   
1 1 1 10 1  53 o 9.238000       1.301000      460.6849      -169.4 
1 1 1 10 1  54 o 93.22000       2.481000      ?             ?      
1 1 1 10 1  55 o 18.06000       1.448000      492.0489      -33.5  
1 1 1 10 1  56 o 62.49000       2.043000      ?             ?      
1 1 1 10 1  57 o 12.61000       1.428000      474.4794      127.2  
1 1 1 10 1  58 o 12.04000       1.434000      424.2880      96.5   
1 1 1 10 1  59 o 28.56000       1.611000      766.2228      109.7  
1 1 1 10 1  60 o 6.900000       1.408000      309.1871      -89.2  
1 1 1 10 1  61 o 5.164000       1.414000      ?             ?      
1 1 1 10 1  62 o 3.810000       1.413000      ?             ?      
1 1 1 10 1  63 o 12.95000       1.567000      ?             ?      
1 1 1 10 1  64 o 3.778000       1.824000      ?             ?      
1 1 1 10 1  65 o -3.800000      2.794000      ?             ?      
1 1 1 10 1  66 o 4.646000       1.563000      ?             ?      
1 1 1 10 1  67 o 3.350000       1.359000      ?             ?      
1 1 1 10 1  68 o 9.355000       1.427000      ?             ?      
1 1 1 10 1  69 o 2.468000       1.383000      ?             ?      
1 1 1 10 1  70 o 10.92000       1.449000      ?             ?      
1 1 1 10 1  72 o 1.951000       1.372000      ?             ?      
1 1 1 10 1  73 o 4.378000       1.394000      ?             ?      
1 1 1 10 1  74 o 1.398000       1.400000      ?             ?      
1 1 1 10 1  75 o 4.695000       1.447000      ?             ?      
1 1 1 10 1  76 o -0.9528000     1.422000      ?             ?      
1 1 1 10 2  0  o 93.08000       3.721000      118.8966      -180.0 
1 1 1 10 2  1  o 28.07000       0.7220000     678.0916      -9.9   
1 1 1 10 2  2  o 141.3000       2.305000      1976.042      138.3  
1 1 1 10 2  3  o 8.265000       0.4023000     688.9081      40.7   
1 1 1 10 2  4  o 252.1000       4.719000      2160.128      -163.0 
1 1 1 10 2  5  o 24.59000       0.8234000     90.36301      -39.3  
1 1 1 10 2  6  o 506.9000       9.440000      3031.593      165.0  
1 1 1 10 2  7  o 201.3000       4.605000      1937.553      -9.5   
1 1 1 10 2  8  o 158.0000       4.075000      1442.536      157.4  
1 1 1 10 2  9  o 162.3000       5.564000      1820.604      89.8   
1 1 1 10 2  10 o 82.78000       2.967000      1361.097      -99.8  
1 1 1 10 2  11 o 18.26000       1.117000      391.2072      -5.8   
1 1 1 10 2  12 o 49.64000       1.417000      1529.124      -89.0  
1 1 1 10 2  13 o 316.8000       6.783000      1988.047      40.0   
1 1 1 10 2  14 o 91.63000       1.912000      1455.218      146.1  
1 1 1 10 2  15 o 21.46000       0.6676000     232.6131      -38.3  
1 1 1 10 2  16 o 570.8000       11.24000      3471.080      -97.7  
1 1 1 10 2  17 o 1.964000       0.4993000     585.7548      -20.8  
1 1 1 10 2  18 o 8.477000       0.5761000     376.5171      98.8   
1 1 1 10 2  19 o 129.7000       2.690000      1710.500      -140.4 
1 1 1 10 2  20 o 13.04000       0.6827000     586.3494      -107.8 
1 1 1 10 2  21 o 292.2000       5.844000      2901.853      116.2  
1 1 1 10 2  22 o 56.42000       1.395000      836.8126      112.9  
1 1 1 10 2  23 o 171.4000       3.543000      2068.961      -13.8  
1 1 1 10 2  24 o 74.53000       1.756000      1361.367      80.6   
1 1 1 10 2  25 o 790.9000       15.59000      4150.955      92.6   
1 1 1 10 2  26 o 41.56000       1.382000      952.7282      -27.0  
1 1 1 10 2  27 o 99.81000       2.287000      1513.359      127.2  
1 1 1 10 2  28 o 22.00000       1.117000      632.5401      147.1  
1 1 1 10 2  29 o 196.8000       4.135000      1958.294      -87.1  
1 1 1 10 2  30 f 271.4000       6.002000      2111.340      -134.8 
1 1 1 10 2  31 o 33.12000       1.820000      1032.611      2.6    
1 1 1 10 2  32 o 31.03000       1.881000      792.5893      132.5  
1 1 1 10 2  33 o 19.49000       2.712000      571.8258      160.0  
1 1 1 10 2  34 o 83.95000       2.591000      532.0276      9.5    
1 1 1 10 2  35 o 19.40000       1.357000      744.8029      77.9   
1 1 1 10 2  36 o 8.907000       1.205000      275.9459      39.9   
1 1 1 10 2  37 o 24.26000       1.295000      594.3994      162.4  
1 1 1 10 2  38 o 54.04000       1.790000      1258.921      -60.2  
1 1 1 10 2  39 o 59.13000       1.874000      956.4631      85.0   
1 1 1 10 2  40 o 11.84000       1.128000      698.0301      107.7  
1 1 1 10 2  41 o 15.06000       1.256000      467.0351      11.8   
1 1 1 10 2  42 o 80.46000       2.566000      1503.276      166.7  
1 1 1 10 2  43 o 32.45000       1.429000      693.7195      29.7   
1 1 1 10 2  44 o 46.27000       1.638000      1034.749      -42.1  
1 1 1 10 2  45 o 21.85000       1.308000      595.6705      -89.8  
1 1 1 10 2  46 o 21.12000       1.232000      879.0293      96.6   
1 1 1 10 2  47 o 30.16000       1.373000      866.1292      135.7  
1 1 1 10 2  48 o 22.64000       1.598000      798.4680      100.9  
1 1 1 10 2  49 o 5.113000       1.863000      310.8642      -166.8 
1 1 1 10 2  50 f 26.08000       2.535000      927.6677      -12.1  
1 1 1 10 2  51 f 16.96000       2.388000      507.5779      -38.3  
1 1 1 10 2  52 o 26.56000       1.780000      654.9261      -171.6 
1 1 1 10 2  53 o 27.40000       1.501000      675.8622      30.7   
1 1 1 10 2  54 o 22.60000       1.700000      696.8239      -146.7 
1 1 1 10 2  55 o 19.69000       1.547000      743.7821      130.4  
1 1 1 10 2  56 o 12.38000       1.423000      499.0896      -160.9 
1 1 1 10 2  57 o 1.091000       1.361000      202.9839      26.3   
1 1 1 10 2  58 o 1.804000       1.380000      143.2324      -153.3 
1 1 1 10 2  59 o -0.3171000     1.377000      155.9786      75.2   
1 1 1 10 2  60 o 7.637000       1.415000      378.6684      -126.9 
1 1 1 10 2  61 o 18.51000       1.531000      ?             ?      
1 1 1 10 2  62 o 4.905000       1.438000      ?             ?      
1 1 1 10 2  63 o 16.48000       1.640000      ?             ?      
1 1 1 10 2  64 o 8.916000       1.791000      ?             ?      
1 1 1 10 2  65 o 10.91000       2.027000      ?             ?      
1 1 1 10 2  66 o 5.066000       1.819000      ?             ?      
1 1 1 10 2  67 o 6.125000       1.500000      ?             ?      
1 1 1 10 2  68 o 5.918000       1.407000      ?             ?      
1 1 1 10 2  69 o 2.645000       1.378000      ?             ?      
1 1 1 10 2  70 o 0.7598000      1.372000      ?             ?      
1 1 1 10 2  71 o 2.257000       1.376000      ?             ?      
1 1 1 10 2  72 o 7.255000       1.427000      ?             ?      
1 1 1 10 2  73 o 5.145000       1.425000      ?             ?      
1 1 1 10 2  74 o 1.364000       1.414000      ?             ?      
1 1 1 10 2  75 o 3.503000       1.438000      ?             ?      
1 1 1 10 2  76 o 1.258000       1.811000      ?             ?      
1 1 1 10 3  0  o 120.7000       2.795000      2094.391      180.0  
1 1 1 10 3  1  o 119.1000       1.980000      1277.532      115.3  
1 1 1 10 3  2  o 118.6000       1.978000      1406.955      94.3   
1 1 1 10 3  3  o 526.4000       8.848000      3049.276      7.2    
1 1 1 10 3  4  o 14.19000       0.3569000     1039.113      112.6  
1 1 1 10 3  5  o 126.7000       2.274000      1317.670      -119.6 
1 1 1 10 3  6  o 205.2000       4.177000      1682.042      91.7   
1 1 1 10 3  7  o 348.6000       7.388000      2523.686      -19.3  
1 1 1 10 3  8  o 77.75000       2.259000      1409.592      -24.5  
1 1 1 10 3  9  o 31.13000       1.226000      673.0599      2.9    
1 1 1 10 3  10 o 31.48000       1.070000      987.2387      121.2  
1 1 1 10 3  11 o 55.96000       1.986000      1106.960      -33.7  
1 1 1 10 3  12 o 84.59000       2.268000      1151.464      159.6  
1 1 1 10 3  13 o 15.60000       0.6399000     661.0219      -162.1 
1 1 1 10 3  14 o 117.4000       2.606000      1630.567      146.9  
1 1 1 10 3  15 o 30.06000       1.017000      632.1318      -157.6 
1 1 1 10 3  16 o 28.63000       0.8066000     571.6511      128.5  
1 1 1 10 3  17 o 259.8000       5.188000      2220.478      -62.4  
1 1 1 10 3  18 o 11.64000       0.6069000     412.6826      -165.9 
1 1 1 10 3  19 o 25.27000       0.8183000     859.8929      -11.1  
1 1 1 10 3  20 f 294.1000       5.875000      2651.275      -77.2  
1 1 1 10 3  21 o 198.1000       4.030000      1981.695      -118.0 
1 1 1 10 3  22 o 376.6000       7.496000      2981.347      173.0  
1 1 1 10 3  23 o 30.97000       1.027000      956.0688      -158.4 
1 1 1 10 3  24 o 121.1000       2.611000      1665.575      -32.4  
1 1 1 10 3  25 o 54.54000       1.456000      1244.190      -110.4 
1 1 1 10 3  26 o 469.1000       9.333000      2850.542      -97.2  
1 1 1 10 3  27 o 285.4000       5.790000      2616.738      3.3    
1 1 1 10 3  28 o 146.1000       3.152000      2044.644      72.7   
1 1 1 10 3  29 o 302.4000       6.152000      2273.124      140.7  
1 1 1 10 3  30 o 159.4000       3.985000      1561.437      78.8   
1 1 1 10 3  31 o 340.4000       8.920000      2263.908      -30.4  
1 1 1 10 3  32 o 363.0000       8.504000      2557.272      -74.2  
1 1 1 10 3  33 o 347.2000       9.143000      2732.398      -118.7 
1 1 1 10 3  34 o 141.3000       4.185000      1814.443      -59.4  
1 1 1 10 3  35 o 72.46000       2.181000      1209.670      -71.5  
1 1 1 10 3  36 o 43.94000       1.671000      774.8671      173.7  
1 1 1 10 3  37 o 32.54000       1.490000      854.6736      -153.5 
1 1 1 10 3  38 o 28.21000       1.333000      529.5634      45.6   
1 1 1 10 3  39 o 46.45000       1.930000      1170.872      -25.1  
1 1 1 10 3  40 o 67.00000       1.998000      1277.302      -106.7 
1 1 1 10 3  41 o 34.29000       1.360000      880.4600      -4.4   
1 1 1 10 3  42 o 18.80000       1.246000      727.7977      16.2   
1 1 1 10 3  43 o 19.86000       1.249000      670.2104      -123.4 
1 1 1 10 3  44 o 45.27000       1.507000      998.4182      -45.5  
1 1 1 10 3  45 o 69.01000       1.900000      1061.805      106.1  
1 1 1 10 3  46 o 8.372000       1.093000      356.0258      -141.5 
1 1 1 10 3  47 o 32.25000       1.463000      839.7399      78.3   
1 1 1 10 3  48 o 8.744000       1.466000      279.1916      159.9  
1 1 1 10 3  49 o 19.88000       1.454000      590.3195      117.6  
1 1 1 10 3  50 o 19.76000       1.482000      702.9810      76.5   
1 1 1 10 3  51 o 29.22000       2.443000      750.8748      33.6   
1 1 1 10 3  52 o 11.01000       1.399000      269.8411      -17.7  
1 1 1 10 3  53 o 101.6000       2.838000      ?             ?      
1 1 1 10 3  54 o 25.08000       1.620000      718.6625      -104.8 
1 1 1 10 3  55 o 57.44000       2.108000      1136.104      59.8   
1 1 1 10 3  56 o 38.88000       1.811000      927.7846      165.9  
1 1 1 10 3  57 o 22.43000       1.629000      715.8331      25.8   
1 1 1 10 3  58 o 9.527000       1.549000      500.6926      -57.3  
1 1 1 10 3  59 o 18.16000       1.511000      809.8328      35.4   
1 1 1 10 3  60 o 69.38000       2.213000      ?             ?      
1 1 1 10 3  61 o 3.889000       1.419000      ?             ?      
1 1 1 10 3  62 o 3.976000       1.426000      ?             ?      
1 1 1 10 3  63 o 29.71000       1.938000      ?             ?      
1 1 1 10 3  64 o 7.180000       1.821000      ?             ?      
1 1 1 10 3  65 o 3.358000       1.546000      ?             ?      
1 1 1 10 3  66 o 1.318000       1.784000      ?             ?      
1 1 1 10 3  67 o 2.568000       1.596000      ?             ?      
1 1 1 10 3  68 o 6.328000       1.408000      ?             ?      
1 1 1 10 3  69 o 4.281000       1.395000      ?             ?      
1 1 1 10 3  70 o 2.766000       1.385000      ?             ?      
1 1 1 10 3  71 o 2.970000       1.397000      ?             ?      
1 1 1 10 3  72 o 9.067000       1.465000      ?             ?      
1 1 1 10 3  73 o 0.8742000      1.397000      ?             ?      
1 1 1 10 3  74 o 2.284000       1.407000      ?             ?      
1 1 1 10 3  75 o 2.308000       1.437000      ?             ?      
1 1 1 10 4  0  o 68.81000       2.288000      720.5543      -180.0 
1 1 1 10 4  1  o 112.5000       1.852000      1570.308      -120.4 
1 1 1 10 4  2  o 5.349000       0.2508000     634.4818      -103.6 
1 1 1 10 4  3  o 50.33000       0.9204000     667.3788      -159.3 
1 1 1 10 4  4  o 213.0000       3.994000      1938.599      137.3  
1 1 1 10 4  5  o 276.7000       4.882000      2179.207      165.3  
1 1 1 10 4  6  o 40.97000       0.9888000     1012.697      147.8  
1 1 1 10 4  7  o 43.49000       1.019000      1248.722      115.6  
1 1 1 10 4  8  o 211.3000       5.381000      2024.757      175.2  
1 1 1 10 4  9  o 20.36000       0.7685000     721.1132      -155.6 
1 1 1 10 4  10 o 5.465000       0.4367000     516.9296      118.2  
1 1 1 10 4  11 o 15.93000       0.8356000     583.1547      -68.1  
1 1 1 10 4  12 o 17.89000       0.7423000     413.5336      -137.8 
1 1 1 10 4  13 o 136.1000       3.548000      1948.067      93.0   
1 1 1 10 4  14 o 46.92000       1.183000      1278.822      -43.8  
1 1 1 10 4  15 o 158.5000       3.212000      1606.718      161.3  
1 1 1 10 4  16 o 347.5000       6.891000      2791.767      -117.9 
1 1 1 10 4  17 o 153.2000       3.126000      1911.377      72.7   
1 1 1 10 4  18 o 27.68000       0.8318000     658.7140      154.6  
1 1 1 10 4  19 o 16.00000       0.6932000     984.1395      9.7    
1 1 1 10 4  20 o 64.58000       1.502000      1159.892      -101.9 
1 1 1 10 4  21 o 301.3000       6.028000      2197.984      87.2   
1 1 1 10 4  22 o 288.4000       5.793000      2362.267      151.6  
1 1 1 10 4  23 o 228.0000       4.630000      2349.987      77.3   
1 1 1 10 4  24 o 120.0000       2.597000      1859.201      82.6   
1 1 1 10 4  25 o 204.5000       4.207000      1985.554      76.1   
1 1 1 10 4  26 o 204.7000       4.241000      2262.456      7.7    
1 1 1 10 4  27 o 48.37000       1.450000      1098.654      106.2  
1 1 1 10 4  28 o 85.48000       2.079000      1090.226      165.9  
1 1 1 10 4  29 o 33.70000       1.417000      1242.631      -155.0 
1 1 1 10 4  30 o 239.3000       6.395000      2402.772      -156.6 
1 1 1 10 4  31 o 110.6000       3.055000      1495.821      67.0   
1 1 1 10 4  32 o 145.5000       3.286000      1476.546      115.7  
1 1 1 10 4  33 o 43.69000       1.983000      1100.126      68.6   
1 1 1 10 4  34 o 20.87000       1.987000      473.5552      -60.8  
1 1 1 10 4  35 o 87.31000       2.905000      1597.319      27.8   
1 1 1 10 4  36 f 52.56000       1.846000      1403.908      64.3   
1 1 1 10 4  37 o 44.04000       1.911000      716.8554      -165.1 
1 1 1 10 4  38 o 26.91000       1.398000      937.2772      34.5   
1 1 1 10 4  39 o 55.09000       1.679000      1171.731      111.8  
1 1 1 10 4  40 o 29.27000       1.405000      918.7214      121.2  
1 1 1 10 4  41 o 29.07000       1.301000      978.1682      31.2   
1 1 1 10 4  42 o 49.43000       1.570000      1109.359      174.7  
1 1 1 10 4  43 o 10.65000       1.075000      343.4017      2.5    
1 1 1 10 4  44 o 14.51000       1.121000      504.3405      15.3   
1 1 1 10 4  45 o 74.00000       1.981000      1203.964      64.8   
1 1 1 10 4  46 o 22.65000       1.240000      653.5521      -116.9 
1 1 1 10 4  47 o 5.275000       1.252000      203.0775      -50.3  
1 1 1 10 4  48 o 25.71000       1.689000      674.0760      -147.8 
1 1 1 10 4  49 o 63.75000       2.041000      1157.902      -158.7 
1 1 1 10 4  50 o 14.58000       1.352000      550.2358      4.9    
1 1 1 10 4  51 o 8.433000       1.644000      324.6594      37.8   
1 1 1 10 4  52 o 45.28000       2.263000      992.7411      136.2  
1 1 1 10 4  53 o 16.36000       1.566000      617.6183      -35.8  
1 1 1 10 4  54 o 14.29000       1.372000      634.5053      -158.2 
1 1 1 10 4  55 o -1.921000      1.414000      74.36919      -72.8  
1 1 1 10 4  56 o 60.35000       2.495000      ?             ?      
1 1 1 10 4  57 o 6.273000       1.528000      347.9178      -32.8  
1 1 1 10 4  58 o 24.48000       1.687000      698.2571      109.1  
1 1 1 10 4  59 o 33.07000       1.790000      826.0079      -19.5  
1 1 1 10 4  60 o 7.234000       1.435000      308.7220      179.4  
1 1 1 10 4  61 o 14.85000       1.504000      ?             ?      
1 1 1 10 4  62 o 4.226000       1.536000      ?             ?      
1 1 1 10 4  63 o 7.264000       1.867000      ?             ?      
1 1 1 10 4  64 o 4.209000       1.592000      ?             ?      
1 1 1 10 4  65 o 2.148000       1.356000      ?             ?      
1 1 1 10 4  66 o 2.927000       1.573000      ?             ?      
1 1 1 10 4  67 o 3.164000       1.811000      ?             ?      
1 1 1 10 4  68 o 10.21000       1.562000      ?             ?      
1 1 1 10 4  69 o 6.690000       1.395000      ?             ?      
1 1 1 10 4  70 o 4.641000       1.393000      ?             ?      
1 1 1 10 4  71 o 6.134000       1.421000      ?             ?      
1 1 1 10 4  72 o 2.891000       1.404000      ?             ?      
1 1 1 10 4  73 o 5.329000       1.422000      ?             ?      
1 1 1 10 4  74 o 0.1907000      1.408000      ?             ?      
1 1 1 10 4  75 o 3.013000       1.449000      ?             ?      
1 1 1 10 5  0  o 19.89000       0.6627000     224.1592      180.0  
1 1 1 10 5  1  o 31.60000       0.6283000     691.8046      53.2   
1 1 1 10 5  2  o 12.23000       0.3609000     937.9333      -112.7 
1 1 1 10 5  3  o 57.63000       1.309000      1198.896      11.5   
1 1 1 10 5  4  o 81.00000       2.156000      1426.262      -178.0 
1 1 1 10 5  5  o 19.59000       0.6094000     501.2693      -171.8 
1 1 1 10 5  6  o 133.8000       3.085000      1710.404      -82.5  
1 1 1 10 5  7  o 45.11000       1.241000      1356.139      -37.1  
1 1 1 10 5  8  o 247.9000       6.287000      2548.920      -156.5 
1 1 1 10 5  9  o 7.405000       0.4297000     5.708768      105.4  
1 1 1 10 5  10 o 180.6000       4.173000      1966.737      -47.8  
1 1 1 10 5  11 o 18.01000       0.8985000     498.6403      141.2  
1 1 1 10 5  12 o 48.92000       1.422000      1182.585      -151.1 
1 1 1 10 5  13 o 261.9000       6.695000      2349.551      -156.2 
1 1 1 10 5  14 o 76.33000       1.896000      1201.600      -105.8 
1 1 1 10 5  15 o 159.7000       3.506000      1859.904      30.2   
1 1 1 10 5  16 o 33.24000       0.8841000     1035.079      -174.8 
1 1 1 10 5  17 o 96.91000       2.055000      1481.435      -99.1  
1 1 1 10 5  18 o 120.5000       2.512000      1518.299      178.6  
1 1 1 10 5  19 o 3.553000       0.5782000     224.0611      -94.6  
1 1 1 10 5  20 o 111.4000       2.372000      1567.078      167.0  
1 1 1 10 5  21 o 67.35000       1.586000      935.7586      -52.9  
1 1 1 10 5  22 o 98.77000       2.174000      1296.101      -169.3 
1 1 1 10 5  23 o 69.63000       1.669000      1402.559      -105.3 
1 1 1 10 5  24 o 607.7000       12.02000      3876.808      143.8  
1 1 1 10 5  25 o 55.29000       1.479000      1218.772      174.5  
1 1 1 10 5  26 o 39.23000       1.268000      900.7749      -54.4  
1 1 1 10 5  27 o 155.8000       3.622000      1582.032      84.0   
1 1 1 10 5  28 o 12.01000       1.062000      612.9473      -120.8 
1 1 1 10 5  29 o 91.20000       2.554000      1684.006      -109.4 
1 1 1 10 5  30 o 154.9000       4.778000      1887.957      31.7   
1 1 1 10 5  31 o 80.08000       2.719000      1315.153      -97.3  
1 1 1 10 5  32 o 303.2000       6.721000      2388.017      -94.9  
1 1 1 10 5  33 o 63.35000       2.060000      1102.358      -94.9  
1 1 1 10 5  34 o 139.1000       4.091000      1385.459      -87.6  
1 1 1 10 5  35 o 200.8000       5.545000      2040.569      -108.8 
1 1 1 10 5  36 o 45.55000       1.699000      724.0732      -169.6 
1 1 1 10 5  37 o 28.01000       1.412000      944.5145      157.1  
1 1 1 10 5  38 o 10.22000       1.213000      494.5249      -96.7  
1 1 1 10 5  39 o 18.82000       1.192000      593.0232      -134.9 
1 1 1 10 5  40 o 42.50000       1.474000      916.0284      -168.7 
1 1 1 10 5  41 o 33.45000       1.342000      900.9067      -47.2  
1 1 1 10 5  42 o 18.63000       1.154000      509.6681      115.0  
1 1 1 10 5  43 o 0.9620000      1.025000      165.3700      133.4  
1 1 1 10 5  44 o 8.440000       1.065000      340.0984      -14.5  
1 1 1 10 5  45 o 6.889000       1.071000      371.3542      134.6  
1 1 1 10 5  46 o -0.4864000     1.103000      281.3774      136.5  
1 1 1 10 5  47 o 58.04000       2.240000      1298.130      23.4   
1 1 1 10 5  48 o 4.218000       1.277000      229.3868      -83.4  
1 1 1 10 5  49 o 7.503000       1.168000      587.4812      -54.0  
1 1 1 10 5  50 o 5.618000       1.176000      445.0184      148.4  
1 1 1 10 5  51 o 25.23000       1.509000      635.8264      61.1   
1 1 1 10 5  52 o 10.67000       1.718000      387.1131      -43.8  
1 1 1 10 5  53 o 42.65000       1.824000      1015.120      -107.0 
1 1 1 10 5  54 o 31.81000       1.562000      991.5593      -3.5   
1 1 1 10 5  55 o 0.7423000      1.372000      106.9022      -124.2 
1 1 1 10 5  56 o 14.86000       1.527000      389.7870      -70.6  
1 1 1 10 5  57 o 1.638000       1.489000      202.2568      -117.0 
1 1 1 10 5  58 o 13.18000       1.810000      572.2801      90.1   
1 1 1 10 5  59 o 6.211000       1.551000      359.4608      91.5   
1 1 1 10 5  60 o 42.84000       1.855000      ?             ?      
1 1 1 10 5  61 o 1.826000       1.516000      ?             ?      
1 1 1 10 5  62 o 5.750000       1.646000      ?             ?      
1 1 1 10 5  63 o 0.5854000      1.793000      ?             ?      
1 1 1 10 5  64 o 9.459000       1.513000      ?             ?      
1 1 1 10 5  65 o 2.622000       1.346000      ?             ?      
1 1 1 10 5  66 o 0.8052000      1.468000      ?             ?      
1 1 1 10 5  67 o 4.163000       1.731000      ?             ?      
1 1 1 10 5  68 o 4.838000       1.517000      ?             ?      
1 1 1 10 5  69 o 8.276000       1.447000      ?             ?      
1 1 1 10 5  70 o 0.5844000      1.361000      ?             ?      
1 1 1 10 5  71 o 5.804000       1.402000      ?             ?      
1 1 1 10 5  72 o 2.629000       1.405000      ?             ?      
1 1 1 10 5  73 o 1.484000       1.408000      ?             ?      
1 1 1 10 5  74 o 6.687000       1.454000      ?             ?      
1 1 1 10 5  75 o 2.932000       1.539000      ?             ?      
1 1 1 10 6  0  o 4.032000       0.3240000     318.4698      -180.0 
1 1 1 10 6  1  o 23.24000       0.5768000     567.1591      -94.8  
1 1 1 10 6  2  o 14.53000       0.5240000     754.2391      95.6   
1 1 1 10 6  3  o 12.17000       0.3610000     1035.362      90.7   
1 1 1 10 6  4  o 118.1000       2.450000      1514.418      -122.4 
1 1 1 10 6  5  o 28.45000       0.7604000     732.7423      -120.1 
1 1 1 10 6  6  o 5.550000       0.3374000     748.1266      106.7  
1 1 1 10 6  7  o 9.958000       0.4856000     552.3738      -93.1  
1 1 1 10 6  8  o 36.15000       1.075000      1245.948      106.4  
1 1 1 10 6  9  o 16.95000       0.6031000     564.2529      46.8   
1 1 1 10 6  10 o 3.115000       0.3627000     419.1356      94.8   
1 1 1 10 6  11 o 13.57000       0.5313000     689.1103      43.9   
1 1 1 10 6  12 o 54.33000       1.565000      1198.455      -147.6 
1 1 1 10 6  13 o 75.35000       1.973000      1399.181      21.7   
1 1 1 10 6  14 o 39.66000       1.271000      1333.408      -97.7  
1 1 1 10 6  15 o 69.61000       1.653000      1216.257      80.5   
1 1 1 10 6  16 o 6.800000       0.5772000     582.7591      -74.2  
1 1 1 10 6  17 o 9.901000       0.5733000     506.6762      18.5   
1 1 1 10 6  18 o 22.58000       0.7640000     671.2396      -83.1  
1 1 1 10 6  19 o 18.33000       0.7322000     301.9211      -102.1 
1 1 1 10 6  20 o 28.42000       0.9156000     899.3222      18.7   
1 1 1 10 6  21 o 362.3000       7.223000      2845.780      154.4  
1 1 1 10 6  22 o 100.8000       2.220000      970.0195      166.9  
1 1 1 10 6  23 o 14.28000       0.8521000     642.5828      -115.8 
1 1 1 10 6  24 o 58.12000       1.509000      1000.182      -71.5  
1 1 1 10 6  25 o 74.56000       1.812000      1330.790      -108.3 
1 1 1 10 6  26 o 28.21000       1.125000      752.3860      115.2  
1 1 1 10 6  27 o 4.272000       0.9631000     134.0311      150.2  
1 1 1 10 6  28 o 109.3000       2.917000      991.4144      -22.4  
1 1 1 10 6  29 o 322.7000       10.55000      2463.980      138.1  
1 1 1 10 6  30 o 18.39000       1.443000      910.1429      -95.9  
1 1 1 10 6  31 o 13.88000       1.408000      567.2145      25.7   
1 1 1 10 6  32 o 4.149000       1.634000      179.8410      -120.3 
1 1 1 10 6  33 o 500.2000       10.82000      3288.402      32.4   
1 1 1 10 6  34 o 16.47000       1.387000      768.5618      -93.9  
1 1 1 10 6  35 o 17.20000       1.691000      453.7818      32.5   
1 1 1 10 6  36 o 19.99000       1.651000      788.0986      50.6   
1 1 1 10 6  37 o 82.19000       2.284000      1281.044      -117.4 
1 1 1 10 6  38 o 25.17000       1.258000      526.9534      27.0   
1 1 1 10 6  39 o 33.03000       1.343000      960.9891      -10.1  
1 1 1 10 6  40 o 36.74000       1.386000      846.2387      10.1   
1 1 1 10 6  41 o 30.60000       1.296000      916.6224      -99.1  
1 1 1 10 6  42 o 14.86000       1.118000      526.5537      -92.8  
1 1 1 10 6  43 o 49.79000       1.571000      1015.739      61.5   
1 1 1 10 6  44 o 4.105000       1.044000      168.2070      -138.7 
1 1 1 10 6  45 o 30.43000       1.318000      729.5796      89.4   
1 1 1 10 6  46 o 6.505000       1.213000      344.2542      85.6   
1 1 1 10 6  47 o 8.929000       1.628000      410.2490      179.0  
1 1 1 10 6  48 o 25.10000       1.414000      679.3889      147.2  
1 1 1 10 6  49 o 0.4551000E-01  1.127000      219.3820      56.1   
1 1 1 10 6  50 o 33.76000       1.472000      917.4829      -15.5  
1 1 1 10 6  51 o 13.03000       1.357000      588.0031      114.2  
1 1 1 10 6  52 o 12.45000       1.757000      523.0255      67.0   
1 1 1 10 6  53 o 17.89000       1.868000      478.5963      34.9   
1 1 1 10 6  54 o 0.9094000      1.371000      34.39116      96.8   
1 1 1 10 6  55 o 9.660000       1.362000      439.0849      92.1   
1 1 1 10 6  56 o 16.42000       1.545000      586.2374      -147.7 
1 1 1 10 6  57 o 0.4336000      1.454000      120.9694      134.1  
1 1 1 10 6  58 o 3.072000       1.462000      273.6009      -147.3 
1 1 1 10 6  59 o 1.317000       1.397000      226.9634      58.0   
1 1 1 10 6  60 o 1.356000       1.525000      271.4872      -136.9 
1 1 1 10 6  61 o 5.761000       1.644000      ?             ?      
1 1 1 10 6  62 o 2.193000       1.800000      ?             ?      
1 1 1 10 6  63 o 5.531000       1.746000      ?             ?      
1 1 1 10 6  64 o 3.427000       1.468000      ?             ?      
1 1 1 10 6  65 o 3.312000       1.356000      ?             ?      
1 1 1 10 6  66 o 1.800000       1.487000      ?             ?      
1 1 1 10 6  67 o 7.407000       1.870000      ?             ?      
1 1 1 10 6  68 o -3.116000      2.227000      ?             ?      
1 1 1 10 6  69 o 12.93000       1.608000      ?             ?      
1 1 1 10 6  70 o 0.2226000      1.366000      ?             ?      
1 1 1 10 6  71 o 1.862000       1.389000      ?             ?      
1 1 1 10 6  72 o 1.027000       1.396000      ?             ?      
1 1 1 10 6  73 o 2.514000       1.404000      ?             ?      
1 1 1 10 6  74 o -1.070000      1.416000      ?             ?      
1 1 1 10 6  75 o 3.812000       1.667000      ?             ?      
1 1 1 10 7  0  o 1.390000       0.3079000     263.8477      0.0    
1 1 1 10 7  1  o 3.931000       0.2684000     214.9725      100.8  
1 1 1 10 7  2  o 44.88000       0.9760000     1227.799      -139.1 
1 1 1 10 7  3  o 32.54000       0.8778000     847.9603      -37.3  
1 1 1 10 7  4  o 21.73000       0.6638000     563.6509      56.0   
1 1 1 10 7  5  o 14.06000       0.5625000     499.0050      -28.6  
1 1 1 10 7  6  o 1.429000       0.3014000     493.6244      165.9  
1 1 1 10 7  7  o 26.36000       0.9169000     1060.532      -154.2 
1 1 1 10 7  8  o 5.661000       0.3555000     319.2766      -88.3  
1 1 1 10 7  9  o 1.333000       0.3118000     254.8734      133.3  
1 1 1 10 7  10 o 56.44000       1.336000      1089.428      -56.1  
1 1 1 10 7  11 o 51.76000       1.239000      1275.951      -75.7  
1 1 1 10 7  12 o 90.34000       2.179000      1506.473      -178.2 
1 1 1 10 7  13 o 4.261000       0.5543000     281.5958      -145.2 
1 1 1 10 7  14 o 35.51000       1.184000      930.0210      43.6   
1 1 1 10 7  15 o 18.80000       0.7799000     366.9175      143.3  
1 1 1 10 7  16 o 31.64000       0.9502000     874.0723      -161.9 
1 1 1 10 7  17 o 2.335000       0.5142000     207.2250      76.1   
1 1 1 10 7  18 o 24.03000       0.7929000     902.5967      36.5   
1 1 1 10 7  19 o 45.05000       1.151000      867.8201      105.0  
1 1 1 10 7  20 o 5.242000       0.6476000     155.8468      -24.5  
1 1 1 10 7  21 o 8.341000       0.7422000     413.8848      24.7   
1 1 1 10 7  22 o 162.6000       3.381000      1982.075      -105.1 
1 1 1 10 7  23 o 147.5000       3.110000      1949.651      148.6  
1 1 1 10 7  24 o 2.699000       0.8088000     404.6764      148.9  
1 1 1 10 7  25 o 97.92000       2.447000      1176.649      -25.5  
1 1 1 10 7  26 o 20.80000       1.157000      416.3915      13.6   
1 1 1 10 7  27 o 95.66000       2.281000      1403.627      161.7  
1 1 1 10 7  28 o 61.82000       2.196000      1164.674      48.5   
1 1 1 10 7  29 o 40.50000       2.604000      826.5609      65.1   
1 1 1 10 7  30 o 10.54000       1.558000      278.3846      -147.9 
1 1 1 10 7  31 o 3.057000       1.201000      176.3026      -173.7 
1 1 1 10 7  32 o 19.49000       1.427000      544.5392      -98.2  
1 1 1 10 7  33 o 25.19000       1.450000      573.8076      -122.6 
1 1 1 10 7  34 o 77.15000       2.209000      1320.687      -147.5 
1 1 1 10 7  35 o 41.74000       1.998000      1112.010      -122.7 
1 1 1 10 7  36 o 59.26000       2.307000      1093.354      91.4   
1 1 1 10 7  37 o 38.59000       1.555000      922.3928      137.0  
1 1 1 10 7  38 o 29.29000       1.311000      626.4643      2.7    
1 1 1 10 7  39 o 10.93000       1.099000      543.2676      120.0  
1 1 1 10 7  40 o 6.291000       1.059000      453.2437      84.1   
1 1 1 10 7  41 o 2.385000       1.025000      163.1711      143.3  
1 1 1 10 7  42 o 19.56000       1.164000      585.1870      93.1   
1 1 1 10 7  43 o 6.249000       1.059000      320.8903      89.8   
1 1 1 10 7  44 o -0.1669000     1.029000      171.9089      -76.3  
1 1 1 10 7  45 o 5.555000       1.129000      235.9731      -111.7 
1 1 1 10 7  46 o 1.402000       1.319000      230.8535      -171.6 
1 1 1 10 7  47 o 3.971000       1.244000      165.9348      -98.0  
1 1 1 10 7  48 o 6.949000       1.161000      447.6768      46.3   
1 1 1 10 7  49 o 7.307000       1.182000      391.3146      110.5  
1 1 1 10 7  50 o 11.22000       1.222000      564.2176      61.9   
1 1 1 10 7  51 o 2.034000       1.200000      72.74547      -50.5  
1 1 1 10 7  52 o 7.201000       1.365000      405.7371      -139.3 
1 1 1 10 7  53 f -1.512000      1.650000      315.7605      -50.8  
1 1 1 10 7  54 o 11.38000       1.444000      504.0139      45.5   
1 1 1 10 7  55 o 9.110000       1.372000      443.7898      -173.4 
1 1 1 10 7  56 o 10.96000       1.412000      476.2581      -89.9  
1 1 1 10 7  57 f 1.674000       1.375000      188.7166      86.9   
1 1 1 10 7  58 f 2.886000       1.392000      233.3726      141.4  
1 1 1 10 7  59 o 1.812000       1.388000      124.0810      -104.0 
1 1 1 10 7  60 o 6.752000       1.484000      335.0932      -116.2 
1 1 1 10 7  61 o 4.200000       1.610000      ?             ?      
1 1 1 10 7  62 o 0.5938000E-01  1.778000      ?             ?      
1 1 1 10 7  63 o 5.956000       1.788000      ?             ?      
1 1 1 10 7  64 o 3.585000       1.494000      ?             ?      
1 1 1 10 7  65 o 3.314000       1.452000      ?             ?      
1 1 1 10 7  66 o 3.309000       1.458000      ?             ?      
1 1 1 10 7  67 o 3.103000       1.499000      ?             ?      
1 1 1 10 7  68 o 1.805000       1.707000      ?             ?      
1 1 1 10 7  69 o 0.4808000      1.483000      ?             ?      
1 1 1 10 7  70 o -0.2229000E-01 1.361000      ?             ?      
1 1 1 10 7  71 o 2.612000       1.386000      ?             ?      
1 1 1 10 7  72 o -0.7826000     1.392000      ?             ?      
1 1 1 10 7  73 o -1.406000      1.408000      ?             ?      
1 1 1 10 7  74 o 3.310000       1.544000      ?             ?      
1 1 1 10 7  75 o 0.5638000      1.829000      ?             ?      
1 1 1 10 8  0  o 3.702000       0.3720000     86.82114      -0.0   
1 1 1 10 8  1  o 16.75000       0.5064000     414.3027      -17.7  
1 1 1 10 8  2  o 7.594000       0.3274000     628.7202      51.9   
1 1 1 10 8  3  o 0.6602000      0.3006000     352.3291      -83.7  
1 1 1 10 8  4  o 2.422000       0.3297000     404.7992      -154.6 
1 1 1 10 8  5  o 25.71000       1.181000      881.3918      93.6   
1 1 1 10 8  6  o 0.2090000      0.3156000     148.5914      151.1  
1 1 1 10 8  7  o 17.46000       0.7043000     804.9960      -53.2  
1 1 1 10 8  8  o 10.05000       0.4215000     759.5859      0.9    
1 1 1 10 8  9  o 1.018000       0.3051000     221.9496      -166.6 
1 1 1 10 8  10 o 11.53000       0.4772000     205.3629      -50.9  
1 1 1 10 8  11 o 1.566000       0.3864000     314.6345      103.2  
1 1 1 10 8  12 o 16.68000       0.6496000     661.0517      130.6  
1 1 1 10 8  13 o 13.41000       0.7280000     559.4685      -50.3  
1 1 1 10 8  14 o 21.53000       0.8593000     751.4072      -90.8  
1 1 1 10 8  15 o 8.889000       0.6493000     541.0104      115.9  
1 1 1 10 8  16 o 15.06000       0.7018000     494.4982      161.2  
1 1 1 10 8  17 o 17.88000       0.7545000     382.8994      52.6   
1 1 1 10 8  18 o 5.545000       0.5659000     238.2524      -52.6  
1 1 1 10 8  19 o 13.04000       0.6820000     383.0926      67.1   
1 1 1 10 8  20 o 28.76000       0.9327000     1099.580      -88.8  
1 1 1 10 8  21 o 119.9000       2.779000      1474.477      -165.5 
1 1 1 10 8  22 o 30.95000       1.140000      860.9579      -18.0  
1 1 1 10 8  23 o 14.56000       0.9563000     594.6920      78.7   
1 1 1 10 8  24 o 27.44000       1.165000      829.1493      -92.0  
1 1 1 10 8  25 o 23.19000       1.286000      598.2202      -58.6  
1 1 1 10 8  26 o 21.40000       1.191000      713.0211      -104.1 
1 1 1 10 8  27 o 37.48000       2.255000      916.8167      46.5   
1 1 1 10 8  28 o 42.32000       1.883000      835.8113      -127.2 
1 1 1 10 8  29 o 39.28000       1.695000      948.2587      173.8  
1 1 1 10 8  30 o 5.597000       1.259000      24.70101      -139.6 
1 1 1 10 8  31 f 30.26000       1.512000      867.6451      -48.8  
1 1 1 10 8  32 o 122.5000       3.104000      1738.969      3.8    
1 1 1 10 8  33 o 7.917000       1.183000      359.7841      35.6   
1 1 1 10 8  34 o 69.65000       1.951000      1308.692      -110.5 
1 1 1 10 8  35 o 1.108000       1.193000      133.1498      -119.1 
1 1 1 10 8  36 o 6.268000       1.451000      432.7548      -121.5 
1 1 1 10 8  37 o 7.919000       1.333000      384.5511      178.5  
1 1 1 10 8  38 o 28.13000       1.405000      744.1145      -61.6  
1 1 1 10 8  39 o 1.843000       1.047000      445.4096      -31.5  
1 1 1 10 8  40 o 0.8335000      1.028000      110.0163      107.8  
1 1 1 10 8  41 o 17.58000       1.142000      571.7227      -173.2 
1 1 1 10 8  42 o 1.910000       1.026000      176.9310      75.9   
1 1 1 10 8  43 o 1.268000       1.026000      181.8650      102.1  
1 1 1 10 8  44 o 14.47000       1.146000      502.0546      -127.4 
1 1 1 10 8  45 o 43.14000       1.714000      998.0021      62.8   
1 1 1 10 8  46 o 3.756000       1.387000      256.5138      -18.7  
1 1 1 10 8  47 o 6.385000       1.253000      303.5628      -169.2 
1 1 1 10 8  48 o 4.257000       1.132000      231.9560      -179.8 
1 1 1 10 8  49 o 7.975000       1.178000      395.4583      117.1  
1 1 1 10 8  50 o 4.944000       1.191000      271.9766      -14.1  
1 1 1 10 8  51 o 4.014000       1.206000      222.9851      75.3   
1 1 1 10 8  52 o -0.6169000     1.311000      226.3298      7.3    
1 1 1 10 8  53 o 4.835000       1.778000      133.2367      169.5  
1 1 1 10 8  54 o 5.880000       1.805000      193.7503      41.2   
1 1 1 10 8  55 o 7.215000       1.465000      377.4274      135.6  
1 1 1 10 8  56 o 13.14000       1.447000      456.7106      -144.1 
1 1 1 10 8  57 f -0.9204000     1.367000      129.0192      86.3   
1 1 1 10 8  58 o 4.381000       1.399000      379.6807      129.1  
1 1 1 10 8  59 o 5.306000       1.403000      282.3692      75.5   
1 1 1 10 8  60 o 3.319000       1.457000      297.3433      -94.8  
1 1 1 10 8  61 f 2.849000       1.810000      ?             ?      
1 1 1 10 8  62 o 7.564000       1.609000      ?             ?      
1 1 1 10 8  63 o 2.587000       1.465000      ?             ?      
1 1 1 10 8  64 o 1.071000       1.441000      ?             ?      
1 1 1 10 8  65 o 1.763000       1.650000      ?             ?      
1 1 1 10 8  66 o -0.1375000     1.444000      ?             ?      
1 1 1 10 8  67 o 1.146000       1.581000      ?             ?      
1 1 1 10 8  68 o 5.276000       2.313000      ?             ?      
1 1 1 10 8  69 o -0.3562000     1.804000      ?             ?      
1 1 1 10 8  70 o -1.854000      1.470000      ?             ?      
1 1 1 10 8  71 o -0.8603000     1.370000      ?             ?      
1 1 1 10 8  72 o 0.7836000      1.380000      ?             ?      
1 1 1 10 8  73 o 2.988000       1.419000      ?             ?      
1 1 1 10 8  74 o 0.4431000      1.608000      ?             ?      
1 1 1 10 8  75 o 6.643000       1.863000      ?             ?      
1 1 1 10 9  0  o 0.5726000      0.3233000     27.94001      -0.0   
1 1 1 10 9  1  o 2.846000       0.2445000     333.7385      173.1  
1 1 1 10 9  2  o 10.48000       0.5002000     450.2844      8.7    
1 1 1 10 9  3  o 2.479000       0.3413000     222.7540      122.4  
1 1 1 10 9  4  o 13.09000       0.5668000     550.7299      64.0   
1 1 1 10 9  5  o 0.9323000      0.3584000     234.7441      46.0   
1 1 1 10 9  6  o 2.384000       0.3386000     169.3515      52.3   
1 1 1 10 9  7  o 1.485000       0.3207000     357.8902      -31.2  
1 1 1 10 9  8  o -0.2527000     0.3075000     156.0711      0.9    
1 1 1 10 9  9  o 4.155000       0.3384000     366.5452      -80.4  
1 1 1 10 9  10 o 13.88000       0.5444000     577.2234      -90.6  
1 1 1 10 9  11 o 4.507000       0.4044000     181.1063      -79.5  
1 1 1 10 9  12 o 10.93000       0.5583000     424.0491      151.3  
1 1 1 10 9  13 o 0.3998000      0.4769000     54.08002      6.2    
1 1 1 10 9  14 o 2.171000       0.5993000     219.9583      -48.9  
1 1 1 10 9  15 o 10.22000       0.7183000     452.7620      -112.4 
1 1 1 10 9  16 o 8.378000       0.6671000     479.2322      122.6  
1 1 1 10 9  17 o 12.08000       0.6952000     495.4435      86.4   
1 1 1 10 9  18 o 17.50000       0.7957000     771.3486      23.7   
1 1 1 10 9  19 o 0.5131000      0.5871000     130.2811      -169.0 
1 1 1 10 9  20 o 21.36000       0.8479000     828.8351      -88.3  
1 1 1 10 9  21 o 16.53000       0.9203000     234.9869      12.2   
1 1 1 10 9  22 o 7.088000       0.7590000     388.6296      -80.8  
1 1 1 10 9  23 o 4.157000       0.7941000     109.2608      124.9  
1 1 1 10 9  24 o 10.97000       1.148000      523.5029      -47.6  
1 1 1 10 9  25 o 11.62000       1.039000      660.2210      81.4   
1 1 1 10 9  26 o 6.347000       0.9567000     210.9629      93.9   
1 1 1 10 9  27 o 42.70000       1.781000      820.1196      30.2   
1 1 1 10 9  28 o 23.20000       1.889000      430.8981      70.0   
1 1 1 10 9  29 o 3.123000       1.256000      80.86716      -16.6  
1 1 1 10 9  30 o 17.03000       1.232000      518.5984      -11.7  
1 1 1 10 9  31 o 6.672000       1.195000      476.0132      146.1  
1 1 1 10 9  32 o 35.72000       1.531000      779.4736      73.9   
1 1 1 10 9  33 o 9.678000       1.141000      508.3670      136.9  
1 1 1 10 9  34 o 14.22000       1.177000      419.4250      -126.0 
1 1 1 10 9  35 o 7.278000       1.202000      103.2363      140.8  
1 1 1 10 9  36 o 10.71000       1.530000      461.1093      30.5   
1 1 1 10 9  37 o 17.27000       1.650000      568.4007      22.6   
1 1 1 10 9  38 o 6.103000       1.194000      155.4956      164.8  
1 1 1 10 9  39 o 2.216000       1.040000      163.0947      76.2   
1 1 1 10 9  40 o 6.288000       1.067000      301.5386      146.4  
1 1 1 10 9  41 o 4.887000       1.044000      255.9613      68.6   
1 1 1 10 9  42 o 0.8583000      1.021000      89.57015      -20.6  
1 1 1 10 9  43 o 2.679000       1.033000      175.8286      179.8  
1 1 1 10 9  44 o 14.33000       1.161000      504.1513      78.6   
1 1 1 10 9  45 o 2.272000       1.189000      247.1161      -89.3  
1 1 1 10 9  46 o 5.084000       1.218000      297.6988      -153.8 
1 1 1 10 9  47 o 4.025000       1.115000      269.3236      159.1  
1 1 1 10 9  48 o 10.18000       1.171000      358.4586      74.2   
1 1 1 10 9  49 o 2.937000       1.133000      197.4325      -3.5   
1 1 1 10 9  50 o 5.529000       1.191000      300.7869      -175.5 
1 1 1 10 9  51 o 1.507000       1.203000      245.1766      -176.2 
1 1 1 10 9  52 o 23.98000       1.549000      538.0392      19.1   
1 1 1 10 9  53 o 1.976000       1.391000      194.6204      102.2  
1 1 1 10 9  54 o 4.727000       1.744000      250.3380      -154.4 
1 1 1 10 9  55 o 14.81000       1.550000      475.5135      -136.9 
1 1 1 10 9  56 o 4.959000       1.399000      299.3119      -50.8  
1 1 1 10 9  57 o 1.453000       1.373000      147.1909      38.4   
1 1 1 10 9  58 o 6.839000       1.411000      361.0877      -106.5 
1 1 1 10 9  59 o 0.5090000      1.371000      137.6600      -149.1 
1 1 1 10 9  60 o -2.413000      1.540000      ?             ?      
1 1 1 10 9  61 o 1.547000       1.767000      ?             ?      
1 1 1 10 9  62 o 2.513000       1.477000      ?             ?      
1 1 1 10 9  63 f 0.9725000      1.349000      ?             ?      
1 1 1 10 9  64 o -2.027000      1.412000      ?             ?      
1 1 1 10 9  65 o 0.3653000E-01  1.419000      ?             ?      
1 1 1 10 9  66 o 0.1673000      1.453000      ?             ?      
1 1 1 10 9  67 o 2.168000       1.647000      ?             ?      
1 1 1 10 9  68 o -0.9087000E-01 1.636000      ?             ?      
1 1 1 10 9  69 o -0.5629000     1.734000      ?             ?      
1 1 1 10 9  70 o -0.6728000     1.574000      ?             ?      
1 1 1 10 9  71 o -1.376000      1.458000      ?             ?      
1 1 1 10 9  72 o -2.716000      1.370000      ?             ?      
1 1 1 10 9  73 o -2.506000      1.399000      ?             ?      
1 1 1 10 9  74 o -2.295000      1.622000      ?             ?      
1 1 1 10 9  75 o 4.266000       1.666000      ?             ?      
1 1 1 10 10 0  o 0.1392000E-01  0.3402000     23.45897      -0.0   
1 1 1 10 10 1  o 2.067000       0.2471000     145.3972      -147.4 
1 1 1 10 10 2  o 0.7166000      0.2617000     344.6515      -144.6 
1 1 1 10 10 3  o 4.138000       0.3420000     145.4555      123.8  
1 1 1 10 10 4  o 1.210000       0.3711000     141.7442      31.6   
1 1 1 10 10 5  o 0.3715000      0.3357000     136.3135      63.1   
1 1 1 10 10 6  o 1.038000       0.3796000     52.87811      -52.3  
1 1 1 10 10 7  o 1.033000       0.3224000     216.0222      -93.1  
1 1 1 10 10 8  o 1.711000       0.3099000     234.0952      -170.2 
1 1 1 10 10 9  o 3.524000       0.3484000     166.7792      138.7  
1 1 1 10 10 10 o 2.030000       0.3665000     309.6302      79.4   
1 1 1 10 10 11 o 2.583000       0.3881000     55.50061      -8.3   
1 1 1 10 10 12 o 3.157000       0.4351000     49.19122      170.1  
1 1 1 10 10 13 o 9.395000       0.5750000     437.5204      -90.4  
1 1 1 10 10 14 o 3.440000       0.6709000     226.2719      -115.0 
1 1 1 10 10 15 o 0.3882000      0.6378000     127.8107      -161.8 
1 1 1 10 10 16 o 11.10000       0.7326000     218.0941      -7.6   
1 1 1 10 10 17 o 2.029000       0.6154000     300.9753      23.3   
1 1 1 10 10 18 o 3.649000       0.6583000     117.9343      -95.2  
1 1 1 10 10 19 o 11.06000       0.9646000     484.8615      165.1  
1 1 1 10 10 20 o 3.258000       0.6644000     189.3526      9.0    
1 1 1 10 10 21 o 0.6372000      0.7730000     90.59504      74.2   
1 1 1 10 10 22 o 2.099000       0.9621000     94.49286      90.1   
1 1 1 10 10 23 o 1.783000       0.8491000     186.0880      -16.1  
1 1 1 10 10 24 o -0.9483000E-01 0.8356000     86.07841      -51.2  
1 1 1 10 10 25 o 12.17000       1.058000      486.6350      157.4  
1 1 1 10 10 26 o 5.767000       1.123000      265.7922      -159.4 
1 1 1 10 10 27 o 8.165000       1.173000      328.0135      3.5    
1 1 1 10 10 28 o 10.65000       1.254000      335.6638      158.8  
1 1 1 10 10 29 o 14.09000       1.185000      592.9442      107.5  
1 1 1 10 10 30 o 23.96000       1.307000      552.9627      -26.4  
1 1 1 10 10 31 o 2.945000       1.148000      175.4317      11.5   
1 1 1 10 10 32 o 8.366000       1.138000      464.8385      -63.4  
1 1 1 10 10 33 o 8.313000       1.111000      166.1413      162.2  
1 1 1 10 10 34 o 3.656000       1.086000      166.9508      -18.5  
1 1 1 10 10 35 o 1.894000       1.160000      127.4085      -105.9 
1 1 1 10 10 36 o 12.15000       1.320000      139.0689      64.3   
1 1 1 10 10 37 o 8.958000       1.479000      472.3281      137.8  
1 1 1 10 10 38 o 2.704000       1.262000      311.4909      -176.0 
1 1 1 10 10 39 o 1.888000       1.146000      107.1436      23.0   
1 1 1 10 10 40 o 7.625000       1.074000      318.7753      77.4   
1 1 1 10 10 41 o 5.121000       1.048000      292.9494      -73.7  
1 1 1 10 10 42 o 4.541000       1.047000      161.6879      -107.6 
1 1 1 10 10 43 o 1.455000       1.030000      138.0202      -144.0 
1 1 1 10 10 44 o 0.7315000      1.157000      32.02759      -89.0  
1 1 1 10 10 45 f 7.249000       1.426000      145.4220      48.2   
1 1 1 10 10 46 o 10.61000       1.291000      396.3556      5.5    
1 1 1 10 10 47 o 1.074000       1.088000      112.2935      -2.0   
1 1 1 10 10 48 o 1.940000       1.109000      116.4429      -126.1 
1 1 1 10 10 49 o 1.270000       1.136000      327.7726      129.1  
1 1 1 10 10 50 o 2.685000       1.175000      190.5980      59.6   
1 1 1 10 10 51 o 2.504000       1.200000      120.4548      -97.4  
1 1 1 10 10 52 o 2.313000       1.250000      147.8125      -11.0  
1 1 1 10 10 53 o 1.673000       1.374000      131.6677      106.8  
1 1 1 10 10 54 o 1.290000       1.746000      183.1229      -50.8  
1 1 1 10 10 55 o 1.727000       1.623000      57.60762      5.8    
1 1 1 10 10 56 o 0.8682000      1.450000      220.8870      -137.8 
1 1 1 10 10 57 o 5.064000       1.394000      264.4142      65.2   
1 1 1 10 10 58 o 4.335000       1.401000      145.8983      168.5  
1 1 1 10 10 59 o 1.315000       1.373000      48.83891      -9.7   
1 1 1 10 10 60 o 0.4433000      1.579000      ?             ?      
1 1 1 10 10 61 o -0.1434000     1.591000      ?             ?      
1 1 1 10 10 62 o 0.4106000      1.515000      ?             ?      
1 1 1 10 10 63 o -1.166000      1.350000      ?             ?      
1 1 1 10 10 64 o 1.547000       1.331000      ?             ?      
1 1 1 10 10 65 o 4.132000       1.365000      ?             ?      
1 1 1 10 10 66 o -0.6902000     1.412000      ?             ?      
1 1 1 10 10 67 o 2.332000       1.432000      ?             ?      
1 1 1 10 10 68 o 1.817000       1.475000      ?             ?      
1 1 1 10 10 69 o 1.320000       2.001000      ?             ?      
1 1 1 10 10 70 o 1.799000       1.980000      ?             ?      
1 1 1 10 10 71 o 1.423000       1.502000      ?             ?      
1 1 1 10 10 72 o 0.5102000      1.479000      ?             ?      
1 1 1 10 10 73 o 0.3939000      1.600000      ?             ?      
1 1 1 10 10 74 o -0.3222000     1.713000      ?             ?      
1 1 1 10 10 75 o 0.4650000      2.353000      ?             ?      
1 1 1 10 11 0  o 0.5887000      0.3469000     34.46293      -180.0 
1 1 1 10 11 1  o 0.4105000      0.2654000     111.9726      102.6  
1 1 1 10 11 2  o -1.042000      0.2780000     ?             ?      
1 1 1 10 11 3  o 0.3523000      0.3083000     38.15998      -160.7 
1 1 1 10 11 4  o -0.9795000E-01 0.3864000     131.3324      -37.2  
1 1 1 10 11 5  o -0.7958000E-01 0.3814000     73.36153      -139.0 
1 1 1 10 11 6  o -0.8116000     0.4070000     63.96552      66.2   
1 1 1 10 11 7  o 0.7414000      0.3929000     63.97553      71.7   
1 1 1 10 11 8  o 0.9562000      0.3450000     37.67506      60.3   
1 1 1 10 11 9  o 0.1898000      0.3336000     185.4226      30.4   
1 1 1 10 11 10 o 1.762000       0.3498000     256.0669      165.8  
1 1 1 10 11 11 o 0.5349000      0.3898000     183.5634      31.7   
1 1 1 10 11 12 o 0.7960000      0.4137000     283.5289      0.1    
1 1 1 10 11 13 o 0.5526000      0.4837000     89.20404      79.6   
1 1 1 10 11 14 o 0.2745000      0.5195000     185.7697      -39.5  
1 1 1 10 11 15 o 2.264000       0.7325000     309.0719      -11.2  
1 1 1 10 11 16 o 1.192000       0.7994000     316.8840      179.2  
1 1 1 10 11 17 o 8.668000       0.8412000     238.7591      -2.3   
1 1 1 10 11 18 o 6.484000       0.7898000     161.6030      -60.2  
1 1 1 10 11 19 o 0.6836000      0.8381000     66.82486      39.5   
1 1 1 10 11 20 o 3.173000       0.8188000     256.3209      -15.9  
1 1 1 10 11 21 o 3.943000       0.7188000     389.3064      -114.0 
1 1 1 10 11 22 o 2.729000       0.8358000     241.7179      82.5   
1 1 1 10 11 23 o 4.667000       0.8906000     181.4753      21.4   
1 1 1 10 11 24 o 13.76000       1.021000      359.0878      -48.4  
1 1 1 10 11 25 o 8.306000       0.9561000     309.9097      -138.9 
1 1 1 10 11 26 o 12.18000       1.148000      524.1937      67.9   
1 1 1 10 11 28 o 8.748000       1.253000      210.3533      -29.7  
1 1 1 10 11 29 o 5.446000       1.125000      232.7874      44.4   
1 1 1 10 11 30 o 2.177000       1.136000      295.6417      111.6  
1 1 1 10 11 31 o 7.241000       1.113000      338.2892      -84.5  
1 1 1 10 11 32 o 2.939000       1.068000      345.9590      151.6  
1 1 1 10 11 33 o 7.192000       1.093000      367.0276      112.7  
1 1 1 10 11 34 o 7.829000       1.092000      337.9611      -6.0   
1 1 1 10 11 35 o 5.331000       1.067000      188.0418      -4.9   
1 1 1 10 11 36 o 11.26000       1.224000      259.6021      116.8  
1 1 1 10 11 37 o 5.518000       1.500000      130.2587      119.0  
1 1 1 10 11 38 o 7.240000       1.522000      271.8056      -74.8  
1 1 1 10 11 39 o 8.071000       1.195000      360.1420      -158.0 
1 1 1 10 11 40 o 2.639000       1.033000      245.6547      149.3  
1 1 1 10 11 41 o 2.281000       1.035000      14.76030      56.5   
1 1 1 10 11 42 o 2.752000       1.040000      45.17982      108.3  
1 1 1 10 11 43 o 1.907000       1.040000      95.04955      -86.8  
1 1 1 10 11 44 o 2.394000       1.180000      136.4337      -167.3 
1 1 1 10 11 45 o 2.624000       1.226000      258.0614      -153.8 
1 1 1 10 11 46 o 1.783000       1.097000      216.0260      117.1  
1 1 1 10 11 47 o 3.354000       1.106000      159.7558      69.6   
1 1 1 10 11 48 o 3.808000       1.130000      226.8383      -72.8  
1 1 1 10 11 49 o 4.220000       1.162000      130.3368      125.2  
1 1 1 10 11 50 o 4.780000       1.195000      175.1594      90.4   
1 1 1 10 11 51 o 3.155000       1.202000      149.8049      110.4  
1 1 1 10 11 52 o 10.54000       1.319000      211.3922      102.5  
1 1 1 10 11 53 o 2.845000       1.401000      113.9209      -91.4  
1 1 1 10 11 54 o 2.248000       1.549000      61.40195      -14.8  
1 1 1 10 11 55 f 1.363000       1.812000      175.2008      -30.3  
1 1 1 10 11 56 o -0.7999000     1.446000      47.26765      -97.5  
1 1 1 10 11 57 o 2.587000       1.381000      178.5189      -7.5   
1 1 1 10 11 58 o 3.997000       1.385000      205.2428      -169.6 
1 1 1 10 11 59 o -0.1299000     1.514000      47.51295      62.3   
1 1 1 10 11 60 o 3.593000       1.903000      ?             ?      
1 1 1 10 11 61 o -0.8331000     1.578000      ?             ?      
1 1 1 10 11 62 o 3.553000       1.385000      ?             ?      
1 1 1 10 11 63 o 3.158000       1.351000      ?             ?      
1 1 1 10 11 64 o 1.743000       1.333000      ?             ?      
1 1 1 10 11 65 o 2.018000       1.339000      ?             ?      
1 1 1 10 11 66 o 1.491000       1.330000      ?             ?      
1 1 1 10 11 67 o 0.5472000E-01  1.328000      ?             ?      
1 1 1 10 11 68 o 2.390000       1.364000      ?             ?      
1 1 1 10 11 69 o 0.2792000      1.622000      ?             ?      
1 1 1 10 11 70 o 1.595000       1.766000      ?             ?      
1 1 1 10 11 71 o -0.2060000     1.710000      ?             ?      
1 1 1 10 11 72 o 2.725000       1.693000      ?             ?      
1 1 1 10 11 73 o 1.253000       1.739000      ?             ?      
1 1 1 10 11 74 o 1.460000       1.789000      ?             ?      
1 1 1 10 11 75 o 0.2376000      1.814000      ?             ?      
1 1 1 10 12 0  o 1.764000       0.4221000     351.4477      -0.0   
1 1 1 10 12 1  o 0.5289000      0.2801000     158.8283      -70.9  
1 1 1 10 12 2  o 1.728000       0.3251000     303.6824      55.9   
1 1 1 10 12 3  o 0.1555000      0.3369000     287.3878      -74.9  
1 1 1 10 12 4  o 2.184000       0.3442000     323.6922      -84.7  
1 1 1 10 12 5  o 1.008000       0.4179000     166.6096      -32.1  
1 1 1 10 12 6  o 2.739000       0.4254000     275.5783      -5.7   
1 1 1 10 12 7  o 1.520000       0.4344000     488.1009      -173.2 
1 1 1 10 12 8  o 2.993000       0.3604000     483.8563      124.5  
1 1 1 10 12 9  o 1.398000       0.3586000     132.0651      -8.0   
1 1 1 10 12 10 o 3.528000       0.3853000     483.6357      114.8  
1 1 1 10 12 11 o 5.059000       0.4454000     275.7636      121.3  
1 1 1 10 12 12 o 1.356000       0.4289000     210.8719      -172.1 
1 1 1 10 12 13 o 5.642000       0.7589000     546.4006      77.1   
1 1 1 10 12 14 o 2.755000       0.7896000     346.8849      154.5  
1 1 1 10 12 15 o 21.06000       1.053000      584.6336      101.4  
1 1 1 10 12 16 o 9.252000       0.8048000     434.4051      48.5   
1 1 1 10 12 17 o 27.29000       1.244000      808.6446      119.3  
1 1 1 10 12 18 o 5.175000       0.9118000     271.4192      -55.7  
1 1 1 10 12 19 o 6.300000       0.7802000     551.8287      50.4   
1 1 1 10 12 20 o 10.44000       0.8320000     483.7451      -164.7 
1 1 1 10 12 21 o 17.98000       0.9595000     632.3434      124.3  
1 1 1 10 12 22 o 7.292000       0.8150000     225.8289      -56.3  
1 1 1 10 12 23 o 6.470000       0.8437000     404.7177      72.9   
1 1 1 10 12 24 o 7.111000       0.9140000     399.2552      -72.7  
1 1 1 10 12 25 o 3.984000       0.9828000     420.9530      -179.5 
1 1 1 10 12 26 o 10.22000       1.154000      772.4601      58.6   
1 1 1 10 12 27 o 7.369000       1.372000      160.0074      -145.0 
1 1 1 10 12 28 o 15.94000       1.174000      465.5997      -131.2 
1 1 1 10 12 29 o 3.095000       1.121000      231.0233      -101.3 
1 1 1 10 12 30 o 5.371000       1.114000      456.4559      -11.0  
1 1 1 10 12 31 o 6.449000       1.061000      320.3959      155.0  
1 1 1 10 12 32 o 1.295000       1.043000      199.7893      129.6  
1 1 1 10 12 33 o 23.09000       1.240000      732.8198      167.5  
1 1 1 10 12 34 o 3.236000       1.063000      265.5768      -52.5  
1 1 1 10 12 35 o 10.48000       1.088000      404.7348      -115.9 
1 1 1 10 12 36 o 3.595000       1.122000      171.4521      -64.9  
1 1 1 10 12 37 o 2.377000       1.219000      136.6042      77.9   
1 1 1 10 12 38 o 3.495000       1.394000      510.6711      35.1   
1 1 1 10 12 39 o 3.554000       1.274000      135.6634      -71.8  
1 1 1 10 12 40 o 5.302000       1.136000      199.4813      -19.9  
1 1 1 10 12 41 o 2.492000       1.024000      232.1983      -91.5  
1 1 1 10 12 42 o 10.77000       1.098000      437.9378      -103.3 
1 1 1 10 12 43 f 5.378000       1.185000      335.5497      -133.0 
1 1 1 10 12 44 o 4.002000       1.386000      113.3296      36.8   
1 1 1 10 12 45 o 1.907000       1.219000      247.3071      -35.9  
1 1 1 10 12 46 o 2.982000       1.099000      175.3773      46.0   
1 1 1 10 12 47 o 3.361000       1.109000      199.0883      55.5   
1 1 1 10 12 48 o 2.468000       1.128000      106.3859      35.9   
1 1 1 10 12 49 o 1.139000       1.169000      164.3886      132.2  
1 1 1 10 12 50 o 4.502000       1.193000      263.6880      133.5  
1 1 1 10 12 51 o 3.001000       1.205000      110.1193      -87.1  
1 1 1 10 12 52 o 3.503000       1.252000      115.6113      -156.3 
1 1 1 10 12 53 o 4.143000       1.290000      222.2246      -128.4 
1 1 1 10 12 54 o 3.138000       1.427000      186.4506      1.4    
1 1 1 10 12 55 o 6.567000       1.848000      415.2146      -99.6  
1 1 1 10 12 56 o 3.935000       1.635000      183.1289      102.2  
1 1 1 10 12 57 o 0.8395000      1.377000      119.9114      -165.3 
1 1 1 10 12 58 o 1.746000       1.365000      141.9808      -111.1 
1 1 1 10 12 59 o 3.074000       1.554000      266.7656      43.1   
1 1 1 10 12 60 o 3.591000       1.629000      ?             ?      
1 1 1 10 12 61 o 4.073000       1.434000      ?             ?      
1 1 1 10 12 62 o 0.5204000      1.352000      ?             ?      
1 1 1 10 12 63 o 4.137000       1.372000      ?             ?      
1 1 1 10 12 64 o 1.535000       1.333000      ?             ?      
1 1 1 10 12 65 o 3.180000       1.336000      ?             ?      
1 1 1 10 12 66 o 0.6993000      1.320000      ?             ?      
1 1 1 10 12 67 o -0.3021000     1.333000      ?             ?      
1 1 1 10 12 68 o 0.6735000E-01  1.349000      ?             ?      
1 1 1 10 12 69 o 1.714000       1.501000      ?             ?      
1 1 1 10 12 70 o -2.988000      1.696000      ?             ?      
1 1 1 10 12 71 o 1.454000       1.607000      ?             ?      
1 1 1 10 12 72 o -1.844000      1.658000      ?             ?      
1 1 1 10 12 73 o -0.3443000     1.746000      ?             ?      
1 1 1 10 12 74 o 0.8443000      1.779000      ?             ?      
1 1 1 10 13 0  o 0.7695000      0.4377000     235.4982      180.0  
1 1 1 10 13 1  o 0.9424000      0.3185000     315.5340      88.8   
1 1 1 10 13 2  o 8.194000       0.4388000     548.5443      77.3   
1 1 1 10 13 3  o 4.475000       0.3799000     313.3770      141.9  
1 1 1 10 13 4  o 3.352000       0.3672000     412.7603      22.6   
1 1 1 10 13 5  o -0.3068000     0.4082000     129.4876      116.1  
1 1 1 10 13 6  o 0.6110000      0.4229000     127.8842      28.5   
1 1 1 10 13 7  o 9.172000       0.4677000     536.3087      146.7  
1 1 1 10 13 8  o 0.2392000E-01  0.4024000     215.8675      -36.5  
1 1 1 10 13 9  o 5.330000       0.4413000     372.5832      -89.3  
1 1 1 10 13 10 o 5.424000       0.5101000     364.8691      -46.3  
1 1 1 10 13 11 o 1.480000       0.6281000     336.4120      -22.5  
1 1 1 10 13 12 o 4.054000       0.4578000     174.7343      -177.0 
1 1 1 10 13 13 o 25.84000       1.127000      925.4204      -58.6  
1 1 1 10 13 14 o 6.282000       0.7639000     211.4190      -151.9 
1 1 1 10 13 15 o 3.815000       0.6299000     298.3925      170.3  
1 1 1 10 13 16 o 11.97000       0.9482000     551.4631      124.7  
1 1 1 10 13 17 o 21.28000       1.041000      794.1763      -15.2  
1 1 1 10 13 18 o 8.341000       1.031000      597.3501      -171.3 
1 1 1 10 13 19 o 2.629000       0.7470000     129.7106      71.1   
1 1 1 10 13 20 o 11.25000       0.9589000     332.8214      -122.4 
1 1 1 10 13 21 o 10.42000       0.9090000     439.1654      -66.7  
1 1 1 10 13 22 o 21.63000       0.9542000     637.9746      87.2   
1 1 1 10 13 23 o 16.63000       0.9458000     729.2916      9.9    
1 1 1 10 13 24 o 14.53000       0.9751000     513.6159      -118.0 
1 1 1 10 13 25 o 4.606000       1.051000      562.8265      155.6  
1 1 1 10 13 26 o 19.86000       1.441000      652.5312      29.2   
1 1 1 10 13 27 o 16.63000       1.307000      582.5971      -87.3  
1 1 1 10 13 28 o 5.005000       1.112000      366.1039      -4.7   
1 1 1 10 13 29 o 6.403000       1.129000      147.8862      -35.7  
1 1 1 10 13 30 o 14.29000       1.233000      650.4610      -11.2  
1 1 1 10 13 31 o 2.895000       1.024000      220.5338      82.7   
1 1 1 10 13 32 o 18.08000       1.152000      734.5812      -31.8  
1 1 1 10 13 33 o 4.339000       1.047000      210.1219      -22.9  
1 1 1 10 13 34 o 10.73000       1.079000      435.0360      -17.9  
1 1 1 10 13 35 o 7.891000       1.058000      207.8222      3.7    
1 1 1 10 13 36 o 2.501000       1.090000      340.1166      -92.4  
1 1 1 10 13 37 o 7.450000       1.146000      441.6068      160.3  
1 1 1 10 13 38 o 9.872000       1.473000      317.2473      -48.0  
1 1 1 10 13 39 o 9.009000       1.553000      424.4544      -151.5 
1 1 1 10 13 40 o 4.999000       1.150000      422.8611      23.3   
1 1 1 10 13 41 o 11.82000       1.105000      381.6523      -34.6  
1 1 1 10 13 42 o 9.041000       1.091000      403.8169      47.6   
1 1 1 10 13 43 o 1.331000       1.171000      211.8999      42.0   
1 1 1 10 13 44 o 3.545000       1.233000      177.0219      -108.5 
1 1 1 10 13 45 o 17.69000       1.321000      642.7648      -88.9  
1 1 1 10 13 46 o 9.362000       1.139000      466.0661      101.0  
1 1 1 10 13 47 o 1.588000       1.102000      315.9897      113.0  
1 1 1 10 13 48 o 4.968000       1.153000      255.9033      -10.3  
1 1 1 10 13 49 o 13.23000       1.248000      437.6479      -109.2 
1 1 1 10 13 50 o 3.864000       1.176000      184.4473      -68.7  
1 1 1 10 13 51 o 2.615000       1.197000      91.91559      -50.4  
1 1 1 10 13 52 o 6.229000       1.263000      326.1470      -5.7   
1 1 1 10 13 53 o 10.16000       1.339000      388.1069      -63.1  
1 1 1 10 13 54 o 11.38000       1.514000      433.0763      -78.5  
1 1 1 10 13 55 o 3.170000       1.930000      280.7258      -121.2 
1 1 1 10 13 56 o 6.394000       1.933000      313.2933      33.3   
1 1 1 10 13 57 o -0.3532000     1.457000      215.4081      103.5  
1 1 1 10 13 58 o -0.2288000     1.529000      112.6223      169.1  
1 1 1 10 13 59 o 2.486000       1.838000      ?             ?      
1 1 1 10 13 60 o 0.7080000      1.582000      ?             ?      
1 1 1 10 13 61 o -1.836000      1.378000      ?             ?      
1 1 1 10 13 62 o 2.307000       1.360000      ?             ?      
1 1 1 10 13 63 o 4.033000       1.349000      ?             ?      
1 1 1 10 13 64 o -0.3518000     1.326000      ?             ?      
1 1 1 10 13 65 o 2.890000       1.333000      ?             ?      
1 1 1 10 13 66 o 3.608000       1.342000      ?             ?      
1 1 1 10 13 67 o 0.8881000      1.344000      ?             ?      
1 1 1 10 13 68 o 2.382000       1.353000      ?             ?      
1 1 1 10 13 69 o -1.632000      1.453000      ?             ?      
1 1 1 10 13 70 o 2.566000       1.817000      ?             ?      
1 1 1 10 13 71 o -1.481000      1.836000      ?             ?      
1 1 1 10 13 72 o 2.336000       1.786000      ?             ?      
1 1 1 10 13 73 o 2.198000       1.785000      ?             ?      
1 1 1 10 13 74 o 2.119000       1.547000      ?             ?      
1 1 1 10 14 0  o 5.593000       0.5442000     312.9204      180.0  
1 1 1 10 14 1  o 2.162000       0.4021000     163.8849      -154.7 
1 1 1 10 14 2  o 8.283000       0.4263000     376.3773      -10.2  
1 1 1 10 14 3  o 6.017000       0.4777000     706.8181      -134.1 
1 1 1 10 14 4  o 21.29000       0.7597000     654.2877      -23.1  
1 1 1 10 14 5  o 0.4913000      0.3635000     202.9094      60.2   
1 1 1 10 14 6  o 14.55000       0.6893000     994.6904      -176.1 
1 1 1 10 14 7  o 7.203000       0.5025000     495.4816      -119.1 
1 1 1 10 14 8  o 17.15000       0.6346000     906.9464      69.7   
1 1 1 10 14 9  o 29.11000       0.7811000     834.6647      18.2   
1 1 1 10 14 10 o 51.05000       1.174000      1274.831      71.2   
1 1 1 10 14 11 o 18.78000       0.8720000     621.8864      129.6  
1 1 1 10 14 12 o 32.80000       1.193000      877.7328      99.4   
1 1 1 10 14 13 o 5.909000       0.5379000     407.0837      -145.0 
1 1 1 10 14 14 o 170.3000       4.016000      1796.576      65.7   
1 1 1 10 14 15 o 98.32000       2.443000      1514.086      132.4  
1 1 1 10 14 16 o 3.311000       0.6259000     98.85806      15.6   
1 1 1 10 14 17 o 147.8000       3.804000      1888.766      146.6  
1 1 1 10 14 18 o 128.8000       2.975000      1872.882      -6.5   
1 1 1 10 14 19 o 48.59000       1.542000      1116.444      74.9   
1 1 1 10 14 20 o 30.70000       1.154000      791.1111      -161.0 
1 1 1 10 14 21 o 22.95000       0.9537000     376.7166      127.4  
1 1 1 10 14 22 o 21.54000       0.9728000     658.9706      -142.4 
1 1 1 10 14 23 o 8.493000       0.8861000     276.8236      17.6   
1 1 1 10 14 24 o 11.71000       1.024000      400.5671      -25.7  
1 1 1 10 14 25 o 17.48000       1.284000      741.9509      -174.2 
1 1 1 10 14 26 o 56.96000       2.050000      847.9976      -20.1  
1 1 1 10 14 27 o 29.53000       1.550000      615.8461      70.7   
1 1 1 10 14 28 o 10.32000       1.144000      484.7304      68.6   
1 1 1 10 14 29 o 12.80000       1.191000      623.5558      92.2   
1 1 1 10 14 30 o 4.850000       1.024000      253.1819      -141.2 
1 1 1 10 14 31 o 22.64000       1.193000      570.7178      155.3  
1 1 1 10 14 32 o 4.202000       1.034000      472.6581      -98.5  
1 1 1 10 14 33 o 35.42000       1.353000      886.2840      76.9   
1 1 1 10 14 34 o 25.25000       1.357000      530.8147      50.4   
1 1 1 10 14 35 o -0.3934000E-01 0.9960000     116.5880      157.4  
1 1 1 10 14 36 o 5.799000       1.029000      234.0112      60.6   
1 1 1 10 14 37 o 8.402000       1.146000      302.2687      121.8  
1 1 1 10 14 38 o 6.688000       1.217000      350.1109      -51.1  
1 1 1 10 14 39 o 15.32000       1.527000      556.0092      49.0   
1 1 1 10 14 40 o 4.613000       1.284000      230.5847      20.9   
1 1 1 10 14 41 o 1.132000       1.133000      56.24077      -168.4 
1 1 1 10 14 42 o 1.646000       1.156000      224.8223      138.1  
1 1 1 10 14 43 o 9.266000       1.427000      546.4208      110.0  
1 1 1 10 14 44 o 6.320000       1.242000      330.5422      55.7   
1 1 1 10 14 45 o 5.691000       1.115000      298.1750      -145.2 
1 1 1 10 14 46 o 7.772000       1.136000      261.0028      6.8    
1 1 1 10 14 47 o 8.135000       1.146000      381.2314      -34.2  
1 1 1 10 14 48 o 17.09000       1.265000      538.6116      42.8   
1 1 1 10 14 49 o 5.577000       1.169000      316.9265      97.9   
1 1 1 10 14 50 o 2.387000       1.163000      126.5290      -43.3  
1 1 1 10 14 51 o 3.720000       1.208000      273.9895      -29.4  
1 1 1 10 14 52 o 14.76000       1.337000      473.1281      13.0   
1 1 1 10 14 53 o 2.966000       1.275000      202.3391      -105.8 
1 1 1 10 14 54 o 13.72000       1.399000      462.3497      -137.3 
1 1 1 10 14 55 o 4.105000       1.494000      249.7462      -91.8  
1 1 1 10 14 56 o 2.929000       1.860000      160.6213      136.1  
1 1 1 10 14 57 o 13.48000       1.763000      535.4498      -75.8  
1 1 1 10 14 58 o 5.467000       1.568000      348.2602      -119.2 
1 1 1 10 14 59 o 5.148000       1.590000      ?             ?      
1 1 1 10 14 60 o 2.358000       1.390000      ?             ?      
1 1 1 10 14 61 o 7.318000       1.403000      ?             ?      
1 1 1 10 14 62 f 10.38000       1.412000      ?             ?      
1 1 1 10 14 63 o 1.089000       1.323000      ?             ?      
1 1 1 10 14 64 o 7.318000       1.374000      ?             ?      
1 1 1 10 14 65 o 5.049000       1.348000      ?             ?      
1 1 1 10 14 66 o 9.595000       1.394000      ?             ?      
1 1 1 10 14 67 o 1.144000       1.342000      ?             ?      
1 1 1 10 14 68 o 3.513000       1.342000      ?             ?      
1 1 1 10 14 69 o -0.2193000     1.337000      ?             ?      
1 1 1 10 14 70 o -1.760000      1.474000      ?             ?      
1 1 1 10 14 71 o 3.231000       2.231000      ?             ?      
1 1 1 10 14 72 o 0.7908000      2.170000      ?             ?      
1 1 1 10 14 73 o 2.486000       1.610000      ?             ?      
1 1 1 10 14 74 o 2.273000       1.440000      ?             ?      
1 1 1 10 15 0  o 5.905000       0.5900000     136.0364      -0.0   
1 1 1 10 15 1  o 8.573000       0.5116000     511.1282      84.4   
1 1 1 10 15 2  o 2.298000       0.5128000     210.9355      -16.6  
1 1 1 10 15 3  o 2.330000       0.4049000     82.03055      -23.2  
1 1 1 10 15 4  o 81.01000       2.727000      1239.218      -42.1  
1 1 1 10 15 5  o 29.51000       1.034000      804.0594      129.2  
1 1 1 10 15 6  o 0.1786000      0.4240000     199.8666      -6.4   
1 1 1 10 15 7  o 8.183000       0.5518000     610.7463      107.4  
1 1 1 10 15 8  o 26.90000       0.9819000     713.9615      -19.9  
1 1 1 10 15 9  o 15.45000       1.026000      866.2507      -109.5 
1 1 1 10 15 10 o 9.961000       0.6529000     417.8052      144.0  
1 1 1 10 15 11 o 27.94000       0.8500000     817.8084      179.5  
1 1 1 10 15 12 o 31.07000       0.8908000     998.8680      -76.8  
1 1 1 10 15 13 o 33.49000       0.9779000     955.7819      62.8   
1 1 1 10 15 14 o 29.25000       1.185000      891.1540      165.6  
1 1 1 10 15 15 o 18.74000       0.8454000     744.4066      154.4  
1 1 1 10 15 16 o 94.70000       2.233000      1466.270      -53.6  
1 1 1 10 15 17 o 79.05000       1.946000      1273.678      27.0   
1 1 1 10 15 18 o 51.32000       1.446000      838.0864      -94.7  
1 1 1 10 15 19 o 28.34000       1.195000      632.9490      26.3   
1 1 1 10 15 20 o 134.6000       3.112000      1815.973      -132.3 
1 1 1 10 15 21 o 2.683000       0.9021000     217.4306      -134.5 
1 1 1 10 15 22 o 42.80000       1.285000      1362.531      88.2   
1 1 1 10 15 23 o 10.64000       0.9261000     662.1769      -101.3 
1 1 1 10 15 24 o 19.79000       1.168000      625.7635      -136.9 
1 1 1 10 15 25 o 57.31000       2.145000      1008.558      97.2   
1 1 1 10 15 26 o 104.5000       2.829000      1429.728      -119.7 
1 1 1 10 15 27 o 32.08000       1.356000      1060.125      -114.5 
1 1 1 10 15 28 o 20.16000       1.221000      712.1248      17.3   
1 1 1 10 15 29 o 31.38000       1.282000      1044.809      -8.3   
1 1 1 10 15 30 o 18.37000       1.127000      554.7197      -54.3  
1 1 1 10 15 31 o 173.1000       3.719000      1976.324      62.2   
1 1 1 10 15 32 o 200.6000       4.250000      1802.622      -142.4 
1 1 1 10 15 33 o 125.1000       2.843000      1395.946      -134.0 
1 1 1 10 15 34 o 42.66000       1.426000      570.0534      -14.3  
1 1 1 10 15 35 o 7.160000       1.012000      595.3239      -52.6  
1 1 1 10 15 36 o 11.15000       1.047000      505.7333      -61.9  
1 1 1 10 15 37 o 20.02000       1.149000      529.6293      -170.4 
1 1 1 10 15 38 o 62.82000       1.944000      1198.954      -68.4  
1 1 1 10 15 39 o 40.38000       1.900000      873.3151      28.1   
1 1 1 10 15 40 o 22.69000       1.486000      582.8330      -38.6  
1 1 1 10 15 41 o 39.75000       1.606000      842.1754      -86.3  
1 1 1 10 15 42 o 15.47000       1.282000      612.8828      121.2  
1 1 1 10 15 43 o 2.877000       1.210000      380.0721      -54.6  
1 1 1 10 15 44 o 2.874000       1.094000      237.4031      107.2  
1 1 1 10 15 45 o 22.21000       1.259000      679.8918      21.1   
1 1 1 10 15 46 o 16.11000       1.205000      676.9387      147.2  
1 1 1 10 15 47 o 11.06000       1.169000      457.2236      118.9  
1 1 1 10 15 48 o 2.692000       1.135000      365.7832      -81.7  
1 1 1 10 15 49 o 1.333000       1.135000      79.07096      161.8  
1 1 1 10 15 50 o 4.776000       1.185000      280.9431      178.9  
1 1 1 10 15 51 o 5.727000       1.230000      326.4166      106.0  
1 1 1 10 15 52 o 29.58000       1.500000      877.3785      -81.5  
1 1 1 10 15 53 o 1.182000       1.271000      170.9403      -74.7  
1 1 1 10 15 54 o 20.30000       1.456000      575.4789      -125.9 
1 1 1 10 15 55 o -0.6956000E-01 1.459000      104.0160      -20.1  
1 1 1 10 15 56 o 26.53000       2.245000      747.4877      32.5   
1 1 1 10 15 57 o 3.998000       2.530000      153.4770      -176.6 
1 1 1 10 15 58 o -1.927000      2.279000      117.3486      -86.7  
1 1 1 10 15 59 o 1.093000       1.564000      ?             ?      
1 1 1 10 15 60 o 10.21000       1.434000      ?             ?      
1 1 1 10 15 61 o 2.888000       1.360000      ?             ?      
1 1 1 10 15 62 o 3.935000       1.347000      ?             ?      
1 1 1 10 15 63 o 7.119000       1.355000      ?             ?      
1 1 1 10 15 64 o 7.382000       1.365000      ?             ?      
1 1 1 10 15 65 o 1.136000       1.311000      ?             ?      
1 1 1 10 15 66 o 1.566000       1.325000      ?             ?      
1 1 1 10 15 67 o 4.743000       1.347000      ?             ?      
1 1 1 10 15 68 o -0.3653000     1.335000      ?             ?      
1 1 1 10 15 69 o 0.9749000      1.339000      ?             ?      
1 1 1 10 15 70 o 0.2186000      1.464000      ?             ?      
1 1 1 10 15 71 o 0.2318000      2.376000      ?             ?      
1 1 1 10 15 72 o -1.270000      2.765000      ?             ?      
1 1 1 10 15 73 o -0.9864000     2.363000      ?             ?      
1 1 1 10 15 74 o -1.029000      1.414000      ?             ?      
1 1 1 10 16 0  o 5.280000       0.8387000     680.4382      -180.0 
1 1 1 10 16 1  o 41.92000       1.246000      554.8069      129.1  
1 1 1 10 16 2  o 0.6885000      0.5693000     105.7695      -151.7 
1 1 1 10 16 3  o 78.62000       2.362000      1138.015      3.5    
1 1 1 10 16 4  o 5.110000       0.4472000     424.2545      160.8  
1 1 1 10 16 5  o 89.89000       2.035000      1350.904      130.3  
1 1 1 10 16 6  o 107.2000       2.764000      1380.231      -109.4 
1 1 1 10 16 7  o 9.826000       0.6272000     325.7548      70.8   
1 1 1 10 16 8  o 42.08000       1.244000      1063.593      112.7  
1 1 1 10 16 9  o 30.32000       1.086000      726.8419      -120.4 
1 1 1 10 16 10 o 21.91000       0.8194000     639.8759      130.7  
1 1 1 10 16 11 o 141.2000       2.943000      1616.362      -164.8 
1 1 1 10 16 12 o 87.96000       1.941000      1341.194      57.1   
1 1 1 10 16 13 o 67.85000       1.860000      776.7427      -45.1  
1 1 1 10 16 14 o 298.9000       6.139000      2383.793      60.3   
1 1 1 10 16 15 o 70.96000       1.746000      1113.359      135.1  
1 1 1 10 16 16 o 86.63000       2.235000      1368.379      59.0   
1 1 1 10 16 17 o 45.36000       1.413000      1086.445      -173.1 
1 1 1 10 16 18 o 32.93000       1.156000      923.4499      22.1   
1 1 1 10 16 19 o 28.29000       1.201000      1001.297      24.6   
1 1 1 10 16 20 o 168.5000       4.085000      1931.087      -170.6 
1 1 1 10 16 21 o 120.7000       2.860000      1557.262      -76.2  
1 1 1 10 16 22 o 103.3000       2.344000      1507.447      25.7   
1 1 1 10 16 23 o 53.86000       1.602000      1129.531      -88.5  
1 1 1 10 16 24 o 53.03000       1.888000      928.1674      -116.8 
1 1 1 10 16 25 o 135.3000       3.777000      1637.839      -99.9  
1 1 1 10 16 26 o 31.67000       1.350000      836.5675      13.7   
1 1 1 10 16 27 o 12.90000       1.152000      645.1188      116.5  
1 1 1 10 16 28 o 11.28000       1.084000      392.6019      112.7  
1 1 1 10 16 29 f 57.50000       1.650000      539.6476      -105.5 
1 1 1 10 16 30 o 120.8000       2.748000      1483.016      122.5  
1 1 1 10 16 31 o 124.1000       2.805000      1317.754      -31.0  
1 1 1 10 16 32 o 15.95000       1.114000      435.2227      147.7  
1 1 1 10 16 33 o 95.09000       2.301000      1337.822      48.6   
1 1 1 10 16 34 o 44.54000       1.449000      731.6392      -43.6  
1 1 1 10 16 35 o 13.64000       1.039000      503.0274      -3.6   
1 1 1 10 16 36 o 7.049000       0.9935000     423.4924      -23.9  
1 1 1 10 16 37 o 22.45000       1.168000      802.3643      54.3   
1 1 1 10 16 38 f 19.25000       1.247000      869.9710      32.8   
1 1 1 10 16 39 o 46.28000       1.774000      1067.555      50.2   
1 1 1 10 16 40 o 70.26000       2.444000      1177.805      43.8   
1 1 1 10 16 41 o 12.04000       1.594000      403.4417      -90.9  
1 1 1 10 16 42 o 32.73000       2.206000      762.0975      108.0  
1 1 1 10 16 43 o 17.12000       1.325000      509.6154      172.4  
1 1 1 10 16 44 o 44.16000       1.549000      982.8494      49.5   
1 1 1 10 16 45 o 9.253000       1.126000      489.8378      -133.9 
1 1 1 10 16 46 o 11.01000       1.146000      527.1358      90.2   
1 1 1 10 16 47 o 21.85000       1.278000      652.0930      -14.3  
1 1 1 10 16 48 o 12.42000       1.196000      439.5350      115.9  
1 1 1 10 16 49 o 5.484000       1.166000      344.0604      -117.0 
1 1 1 10 16 50 o 1.411000       1.178000      316.6461      -153.1 
1 1 1 10 16 51 o 40.71000       1.623000      1056.070      -35.9  
1 1 1 10 16 52 o 1.868000       1.264000      168.8938      -61.9  
1 1 1 10 16 53 o 35.43000       1.618000      839.5952      -62.4  
1 1 1 10 16 54 o 9.318000       1.358000      444.3773      -179.3 
1 1 1 10 16 55 o 1.897000       1.354000      104.9295      126.4  
1 1 1 10 16 56 o 15.92000       1.600000      504.4708      -66.7  
1 1 1 10 16 57 o -2.485000      2.352000      74.81776      -43.5  
1 1 1 10 16 58 o 10.03000       2.076000      ?             ?      
1 1 1 10 16 59 o 4.458000       1.392000      ?             ?      
1 1 1 10 16 60 o 8.777000       1.398000      ?             ?      
1 1 1 10 16 61 o -0.1839000     1.332000      ?             ?      
1 1 1 10 16 62 o 1.212000       1.318000      ?             ?      
1 1 1 10 16 63 o 4.838000       1.331000      ?             ?      
1 1 1 10 16 64 o 1.629000       1.304000      ?             ?      
1 1 1 10 16 65 o 2.827000       1.312000      ?             ?      
1 1 1 10 16 66 o 4.239000       1.356000      ?             ?      
1 1 1 10 16 67 o 1.314000       1.327000      ?             ?      
1 1 1 10 16 68 o 5.167000       1.381000      ?             ?      
1 1 1 10 16 69 o 0.9388000      1.335000      ?             ?      
1 1 1 10 16 70 o 4.167000       1.504000      ?             ?      
1 1 1 10 16 71 o 3.608000       1.812000      ?             ?      
1 1 1 10 16 72 o 3.467000       2.458000      ?             ?      
1 1 1 10 16 73 o 3.668000       1.565000      ?             ?      
1 1 1 10 17 0  o 25.99000       2.137000      843.0121      180.0  
1 1 1 10 17 1  o 1.005000       0.7700000     149.7426      -98.3  
1 1 1 10 17 2  o 30.29000       1.300000      943.6216      5.8    
1 1 1 10 17 3  o 60.58000       2.075000      1022.801      14.1   
1 1 1 10 17 4  o 19.87000       0.8006000     517.4214      -121.4 
1 1 1 10 17 5  o 27.38000       0.8559000     1032.780      -121.9 
1 1 1 10 17 6  o 169.5000       3.523000      1936.343      -142.4 
1 1 1 10 17 7  o 159.8000       3.291000      1961.442      -17.9  
1 1 1 10 17 8  o 348.7000       6.293000      2108.741      -75.4  
1 1 1 10 17 9  o 150.7000       3.187000      1932.707      89.3   
1 1 1 10 17 10 o 74.70000       1.605000      1482.819      -71.8  
1 1 1 10 17 11 o 164.7000       3.914000      1794.224      -117.3 
1 1 1 10 17 12 o 157.2000       3.339000      1583.327      -18.4  
1 1 1 10 17 13 o 150.7000       3.322000      1852.747      70.1   
1 1 1 10 17 14 o 22.68000       1.095000      601.8321      43.5   
1 1 1 10 17 15 o 18.09000       1.078000      496.4304      83.7   
1 1 1 10 17 16 o 271.5000       6.317000      2324.537      -53.8  
1 1 1 10 17 17 o 179.3000       4.003000      2074.044      142.9  
1 1 1 10 17 18 o 18.72000       0.9214000     912.2253      -119.7 
1 1 1 10 17 19 o 144.9000       3.326000      1706.789      17.0   
1 1 1 10 17 20 o 46.98000       1.887000      938.8859      -17.8  
1 1 1 10 17 21 o 13.35000       1.168000      624.4157      70.4   
1 1 1 10 17 22 o 37.11000       1.392000      887.8870      42.4   
1 1 1 10 17 23 o 56.00000       1.747000      902.9185      134.1  
1 1 1 10 17 24 o 120.8000       3.682000      1836.939      9.5    
1 1 1 10 17 25 o 28.45000       1.383000      976.3394      -98.6  
1 1 1 10 17 26 o 161.0000       3.489000      1897.660      -80.3  
1 1 1 10 17 27 o 29.66000       1.286000      609.0879      -179.9 
1 1 1 10 17 28 o 29.05000       1.235000      499.3054      -132.5 
1 1 1 10 17 29 o 35.97000       1.331000      670.7894      -2.8   
1 1 1 10 17 30 o 21.85000       1.159000      590.6534      -95.2  
1 1 1 10 17 31 o 23.13000       1.178000      410.7817      0.8    
1 1 1 10 17 32 o 105.5000       2.471000      1744.623      -135.9 
1 1 1 10 17 33 o 6.037000       1.008000      354.9535      -168.9 
1 1 1 10 17 34 o 9.979000       1.002000      607.5370      101.7  
1 1 1 10 17 35 o 9.379000       0.9942000     358.0566      -129.9 
1 1 1 10 17 36 o 28.33000       1.197000      752.7129      -135.2 
1 1 1 10 17 37 o 29.32000       1.218000      747.6510      7.1    
1 1 1 10 17 38 o 7.988000       1.034000      356.3517      -39.2  
1 1 1 10 17 39 o 20.81000       1.552000      800.4231      29.6   
1 1 1 10 17 40 o 15.48000       1.273000      702.1193      -79.3  
1 1 1 10 17 41 o 27.81000       1.838000      680.1533      167.5  
1 1 1 10 17 42 o 11.54000       1.485000      520.9133      25.1   
1 1 1 10 17 43 o 3.928000       1.084000      173.2929      6.4    
1 1 1 10 17 44 o 15.72000       1.190000      579.1749      -154.9 
1 1 1 10 17 45 o 14.77000       1.179000      572.1447      143.4  
1 1 1 10 17 46 o 4.788000       1.103000      289.3247      -135.2 
1 1 1 10 17 47 o 9.517000       1.165000      459.6469      -160.4 
1 1 1 10 17 48 o 11.30000       1.191000      419.7514      128.3  
1 1 1 10 17 49 o 3.750000       1.171000      306.7620      84.1   
1 1 1 10 17 50 o 12.30000       1.265000      502.6853      70.2   
1 1 1 10 17 51 o 9.403000       1.294000      424.1735      37.8   
1 1 1 10 17 52 o 30.46000       1.529000      740.4566      -38.3  
1 1 1 10 17 53 o 4.714000       1.321000      409.6418      -31.2  
1 1 1 10 17 54 o 2.156000       1.319000      201.0878      -39.3  
1 1 1 10 17 55 o 20.61000       1.475000      698.7888      24.1   
1 1 1 10 17 56 o 3.991000       1.651000      353.1072      133.6  
1 1 1 10 17 57 o 0.9161000      3.543000      168.0004      78.5   
1 1 1 10 17 58 o -0.9769000     2.539000      ?             ?      
1 1 1 10 17 59 o 3.316000       1.475000      ?             ?      
1 1 1 10 17 60 o 0.3049000      1.322000      ?             ?      
1 1 1 10 17 61 o 3.362000       1.323000      ?             ?      
1 1 1 10 17 62 o 3.476000       1.322000      ?             ?      
1 1 1 10 17 63 o 3.992000       1.320000      ?             ?      
1 1 1 10 17 64 o 7.321000       1.355000      ?             ?      
1 1 1 10 17 65 o 6.958000       1.363000      ?             ?      
1 1 1 10 17 66 o 5.161000       1.370000      ?             ?      
1 1 1 10 17 68 o 2.359000       1.350000      ?             ?      
1 1 1 10 17 69 o -1.754000      1.325000      ?             ?      
1 1 1 10 17 70 o 7.594000       1.596000      ?             ?      
1 1 1 10 17 71 o 4.776000       2.214000      ?             ?      
1 1 1 10 17 72 o 5.822000       2.486000      ?             ?      
1 1 1 10 17 73 o 1.088000       2.312000      ?             ?      
1 1 1 10 18 0  o 180.1000       10.25000      1870.498      180.0  
1 1 1 10 18 1  o 11.04000       0.9129000     761.1639      62.7   
1 1 1 10 18 2  o 47.98000       1.471000      770.9052      104.5  
1 1 1 10 18 3  o 278.6000       6.410000      2065.784      60.2   
1 1 1 10 18 4  o 31.70000       1.399000      1062.127      39.9   
1 1 1 10 18 5  o 20.98000       0.7441000     868.9597      35.9   
1 1 1 10 18 6  o 52.01000       1.402000      829.5306      -140.6 
1 1 1 10 18 7  o 10.34000       0.6665000     727.8079      130.1  
1 1 1 10 18 8  o 53.52000       1.479000      1074.609      79.5   
1 1 1 10 18 9  o 8.509000       0.6426000     756.6339      72.8   
1 1 1 10 18 10 o 130.0000       2.809000      1894.389      -162.8 
1 1 1 10 18 11 o 183.7000       4.386000      1724.159      -13.5  
1 1 1 10 18 12 o 170.9000       4.244000      1891.457      35.2   
1 1 1 10 18 13 o 50.44000       1.363000      1272.480      -113.4 
1 1 1 10 18 14 o 409.9000       8.367000      2758.028      113.6  
1 1 1 10 18 15 o 76.92000       2.331000      1101.062      22.4   
1 1 1 10 18 16 o 45.34000       1.401000      919.4340      -105.1 
1 1 1 10 18 17 o 70.95000       1.954000      1101.012      165.7  
1 1 1 10 18 18 o 419.2000       9.048000      2788.607      75.8   
1 1 1 10 18 19 o 178.9000       4.045000      1960.824      28.8   
1 1 1 10 18 20 o 36.60000       1.325000      1028.002      -141.8 
1 1 1 10 18 21 o 183.4000       4.453000      1864.910      -49.5  
1 1 1 10 18 22 o 10.78000       1.188000      285.3953      -144.6 
1 1 1 10 18 23 o 387.5000       10.95000      2372.724      -123.6 
1 1 1 10 18 24 o 43.43000       1.902000      707.2393      -64.0  
1 1 1 10 18 25 o 86.87000       2.284000      1294.965      84.3   
1 1 1 10 18 26 o 11.43000       1.092000      771.1884      38.5   
1 1 1 10 18 27 o 139.7000       3.097000      1633.681      -75.0  
1 1 1 10 18 28 o 9.986000       1.041000      314.8682      14.9   
1 1 1 10 18 29 o 44.52000       1.442000      800.1738      95.6   
1 1 1 10 18 30 o 45.51000       1.459000      1040.542      141.1  
1 1 1 10 18 31 o 110.9000       2.555000      1841.375      -62.1  
1 1 1 10 18 32 o 7.632000       1.006000      628.5082      -154.6 
1 1 1 10 18 33 o 108.7000       2.509000      1513.787      -47.5  
1 1 1 10 18 34 o 101.1000       2.373000      1534.344      -78.3  
1 1 1 10 18 35 o -0.4750000     0.9252000     72.59959      110.1  
1 1 1 10 18 36 o 56.54000       1.615000      940.6830      20.4   
1 1 1 10 18 37 o 9.108000       0.9927000     375.2595      170.6  
1 1 1 10 18 38 o 136.3000       3.049000      1478.728      97.4   
1 1 1 10 18 39 o 9.020000       1.142000      416.4238      20.6   
1 1 1 10 18 40 o 32.02000       1.781000      534.3972      -9.9   
1 1 1 10 18 41 o 40.73000       2.690000      679.7573      -136.1 
1 1 1 10 18 42 o 20.25000       1.775000      704.7440      67.9   
1 1 1 10 18 43 o 30.39000       1.476000      849.2243      55.4   
1 1 1 10 18 44 o 44.28000       1.696000      1095.359      -23.5  
1 1 1 10 18 45 o 45.16000       1.569000      1009.829      -124.0 
1 1 1 10 18 46 o 8.107000       1.136000      472.8242      -174.7 
1 1 1 10 18 47 o 2.463000       1.125000      262.2941      -23.2  
1 1 1 10 18 48 o 15.40000       1.242000      491.2070      153.0  
1 1 1 10 18 49 o 19.27000       1.308000      790.3243      -169.0 
1 1 1 10 18 50 o 22.07000       1.371000      761.1477      92.1   
1 1 1 10 18 51 o 34.35000       1.551000      878.7538      -33.6  
1 1 1 10 18 52 o 5.481000       1.301000      302.9340      105.4  
1 1 1 10 18 53 o 12.19000       1.373000      481.8398      47.1   
1 1 1 10 18 54 o 10.65000       1.374000      539.7208      112.4  
1 1 1 10 18 55 o 13.68000       1.402000      481.3569      -135.4 
1 1 1 10 18 56 o 18.51000       1.793000      565.8497      46.2   
1 1 1 10 18 57 o 11.59000       1.955000      710.1059      72.0   
1 1 1 10 18 58 o 14.12000       1.887000      ?             ?      
1 1 1 10 18 59 o 0.1933000      1.577000      ?             ?      
1 1 1 10 18 60 o 3.637000       1.305000      ?             ?      
1 1 1 10 18 61 o 9.529000       1.362000      ?             ?      
1 1 1 10 18 62 o 0.8778000      1.299000      ?             ?      
1 1 1 10 18 63 o 2.206000       1.309000      ?             ?      
1 1 1 10 18 64 o 16.36000       1.449000      ?             ?      
1 1 1 10 18 65 o 4.651000       1.348000      ?             ?      
1 1 1 10 18 66 o 7.375000       1.373000      ?             ?      
1 1 1 10 18 67 o 5.588000       1.370000      ?             ?      
1 1 1 10 18 68 o 3.853000       1.343000      ?             ?      
1 1 1 10 18 69 o -1.345000      1.333000      ?             ?      
1 1 1 10 18 70 o 1.440000       1.547000      ?             ?      
1 1 1 10 18 71 o 2.365000       1.774000      ?             ?      
1 1 1 10 18 72 o 6.122000       1.676000      ?             ?      
1 1 1 10 18 73 o 3.458000       2.333000      ?             ?      
1 1 1 10 19 0  o 4.217000       1.019000      456.0808      0.0    
1 1 1 10 19 1  o 74.29000       2.821000      1350.948      -96.0  
1 1 1 10 19 2  o 35.83000       1.559000      885.7555      128.4  
1 1 1 10 19 3  o 35.42000       1.307000      651.8999      -170.3 
1 1 1 10 19 4  o 74.23000       1.861000      1502.816      -74.6  
1 1 1 10 19 5  o 81.11000       2.115000      1376.287      -73.8  
1 1 1 10 19 6  o 51.74000       1.412000      918.7406      -131.5 
1 1 1 10 19 7  o 20.39000       0.8803000     692.3179      -32.5  
1 1 1 10 19 8  o 41.07000       1.097000      1096.365      163.7  
1 1 1 10 19 9  o 375.3000       7.612000      2830.305      -11.7  
1 1 1 10 19 10 o 86.50000       1.991000      1808.994      -38.1  
1 1 1 10 19 11 o 129.2000       3.078000      1316.857      -41.2  
1 1 1 10 19 12 o 5.451000       0.8479000     386.5680      -14.1  
1 1 1 10 19 13 o 51.76000       1.632000      758.4298      49.5   
1 1 1 10 19 14 o 40.19000       1.442000      605.0360      57.1   
1 1 1 10 19 15 o 102.8000       2.838000      1660.008      -166.9 
1 1 1 10 19 16 o 97.24000       2.692000      1097.075      131.5  
1 1 1 10 19 17 o 243.1000       6.375000      2225.086      150.2  
1 1 1 10 19 18 o 23.29000       1.105000      690.3730      -7.1   
1 1 1 10 19 19 o 226.2000       5.017000      1798.714      76.5   
1 1 1 10 19 20 o 76.29000       2.207000      1265.162      -90.8  
1 1 1 10 19 21 o 73.08000       2.041000      1400.001      99.3   
1 1 1 10 19 22 o 50.12000       2.134000      1093.487      11.7   
1 1 1 10 19 23 o 109.0000       4.836000      1738.305      48.9   
1 1 1 10 19 24 o 41.87000       1.590000      989.6472      14.1   
1 1 1 10 19 25 o 36.39000       1.362000      852.8411      103.8  
1 1 1 10 19 26 o 10.32000       1.043000      420.7709      27.5   
1 1 1 10 19 27 o 23.41000       1.168000      681.0413      -132.3 
1 1 1 10 19 28 o 315.0000       6.401000      2391.249      -50.0  
1 1 1 10 19 29 o 14.20000       1.054000      398.8618      -1.9   
1 1 1 10 19 30 o 41.11000       1.376000      1106.821      -167.2 
1 1 1 10 19 31 o 44.67000       1.415000      1136.996      -64.6  
1 1 1 10 19 32 o 123.9000       2.792000      1215.173      153.5  
1 1 1 10 19 33 o 28.69000       1.192000      850.4528      20.1   
1 1 1 10 19 34 o 17.52000       1.051000      711.1042      83.3   
1 1 1 10 19 35 o 6.808000       0.9549000     523.6422      63.9   
1 1 1 10 19 36 o 34.24000       1.263000      816.8615      -117.0 
1 1 1 10 19 37 o 15.78000       1.046000      489.5868      90.6   
1 1 1 10 19 38 o 17.09000       1.080000      575.9866      -8.3   
1 1 1 10 19 39 o 3.060000       1.098000      257.6301      -167.7 
1 1 1 10 19 40 o 39.75000       1.960000      880.8969      5.6    
1 1 1 10 19 41 o 0.6575000      1.358000      225.8614      -147.1 
1 1 1 10 19 42 o 68.35000       2.144000      1257.562      -9.1   
1 1 1 10 19 43 o 36.00000       1.568000      884.9344      131.1  
1 1 1 10 19 44 o 24.20000       1.284000      762.8169      -116.6 
1 1 1 10 19 45 o 6.018000       1.124000      398.7147      61.8   
1 1 1 10 19 46 o 14.84000       1.209000      531.7421      -59.3  
1 1 1 10 19 47 o 36.11000       1.486000      666.2241      147.5  
1 1 1 10 19 48 o 11.82000       1.230000      588.1213      152.5  
1 1 1 10 19 49 o 10.45000       1.247000      459.9686      162.6  
1 1 1 10 19 50 o 10.62000       1.287000      579.6914      71.2   
1 1 1 10 19 51 o 3.155000       1.258000      275.5809      115.1  
1 1 1 10 19 52 o 27.27000       1.499000      805.3021      -13.2  
1 1 1 10 19 53 o 8.680000       1.345000      399.9292      -73.7  
1 1 1 10 19 54 o 19.89000       1.455000      548.9381      73.8   
1 1 1 10 19 55 o 12.09000       1.508000      328.5997      87.5   
1 1 1 10 19 56 o 15.51000       1.782000      564.5082      144.8  
1 1 1 10 19 57 o 0.1050000      1.633000      ?             ?      
1 1 1 10 19 58 o 16.42000       1.895000      ?             ?      
1 1 1 10 19 59 o 2.757000       1.572000      ?             ?      
1 1 1 10 19 60 o 1.975000       1.404000      ?             ?      
1 1 1 10 19 61 o -0.7624000     1.298000      ?             ?      
1 1 1 10 19 62 o 1.188000       1.291000      ?             ?      
1 1 1 10 19 63 o 2.051000       1.307000      ?             ?      
1 1 1 10 19 65 o -2.757000      1.384000      ?             ?      
1 1 1 10 19 66 o 6.120000       1.347000      ?             ?      
1 1 1 10 19 67 o 9.117000       1.387000      ?             ?      
1 1 1 10 19 68 o -0.2848000     1.316000      ?             ?      
1 1 1 10 19 70 o -0.5018000E-01 1.708000      ?             ?      
1 1 1 10 19 71 o 0.6590000      1.772000      ?             ?      
1 1 1 10 19 72 o 4.297000       1.819000      ?             ?      
1 1 1 10 20 0  o 32.13000       1.827000      916.4335      -0.0   
1 1 1 10 20 1  o 162.3000       4.262000      1268.630      120.5  
1 1 1 10 20 2  o 54.92000       2.223000      967.2125      104.2  
1 1 1 10 20 3  o 656.9000       16.62000      3364.212      24.2   
1 1 1 10 20 4  o 306.9000       7.054000      2632.744      1.4    
1 1 1 10 20 5  o 246.0000       5.957000      1710.417      154.0  
1 1 1 10 20 6  o 92.63000       2.567000      1470.140      164.4  
1 1 1 10 20 7  o 267.7000       6.448000      2312.934      4.0    
1 1 1 10 20 8  o 192.1000       4.010000      2117.224      2.7    
1 1 1 10 20 9  o 223.9000       4.938000      2333.697      119.6  
1 1 1 10 20 10 o 19.30000       1.120000      785.7630      -125.2 
1 1 1 10 20 11 o 51.20000       1.591000      888.0275      -0.6   
1 1 1 10 20 12 o 264.1000       6.266000      2092.602      114.0  
1 1 1 10 20 13 o 49.00000       1.554000      771.3477      170.3  
1 1 1 10 20 14 o 77.00000       1.807000      1364.318      143.8  
1 1 1 10 20 15 o 18.10000       0.9236000     670.4648      -109.3 
1 1 1 10 20 16 o 66.33000       2.076000      972.7531      -115.6 
1 1 1 10 20 17 o 10.59000       0.8561000     677.2789      73.9   
1 1 1 10 20 18 o 31.40000       1.137000      949.9757      -130.5 
1 1 1 10 20 19 o 356.0000       7.729000      2541.729      -49.1  
1 1 1 10 20 20 o 330.4000       7.173000      2626.103      -160.7 
1 1 1 10 20 21 o 198.9000       4.787000      1739.500      168.6  
1 1 1 10 20 22 o 60.12000       2.812000      1437.664      -143.7 
1 1 1 10 20 23 o 24.79000       1.665000      883.3532      62.5   
1 1 1 10 20 24 o 113.9000       3.314000      1679.923      -29.6  
1 1 1 10 20 25 o 270.1000       5.533000      2227.519      99.8   
1 1 1 10 20 26 o 36.81000       1.318000      887.7346      9.0    
1 1 1 10 20 27 o 12.94000       1.035000      453.2409      42.1   
1 1 1 10 20 28 o 7.375000       0.9904000     327.3653      -52.3  
1 1 1 10 20 29 o 52.01000       1.685000      830.3273      -116.1 
1 1 1 10 20 30 o 21.75000       1.095000      688.6483      -116.9 
1 1 1 10 20 31 o 61.58000       1.676000      1179.996      -72.7  
1 1 1 10 20 32 o 29.97000       1.193000      783.8591      24.7   
1 1 1 10 20 33 o 84.42000       2.067000      1364.516      -126.7 
1 1 1 10 20 34 o 11.27000       0.9844000     209.0721      57.5   
1 1 1 10 20 35 o 48.21000       1.461000      848.8426      -151.1 
1 1 1 10 20 36 o 31.74000       1.216000      587.7578      -73.3  
1 1 1 10 20 37 o 6.135000       0.9530000     91.69419      -53.1  
1 1 1 10 20 38 o 57.89000       1.777000      1214.467      136.2  
1 1 1 10 20 39 o 38.92000       1.516000      878.9165      116.8  
1 1 1 10 20 40 o 43.83000       2.349000      967.7097      -66.9  
1 1 1 10 20 41 o 31.08000       1.865000      892.0953      110.3  
1 1 1 10 20 42 o 6.162000       1.493000      455.7655      -9.9   
1 1 1 10 20 43 o 26.15000       1.562000      665.4485      23.8   
1 1 1 10 20 44 o 52.78000       1.850000      984.2042      -71.7  
1 1 1 10 20 45 o 8.939000       1.137000      451.7487      -168.1 
1 1 1 10 20 46 o 29.51000       1.373000      734.1525      171.8  
1 1 1 10 20 47 o 10.61000       1.201000      397.6005      14.7   
1 1 1 10 20 48 o 76.93000       2.166000      ?             ?      
1 1 1 10 20 49 o 14.61000       1.306000      442.2714      -84.8  
1 1 1 10 20 50 o 44.88000       1.701000      1019.516      40.9   
1 1 1 10 20 51 o 0.2624000      1.267000      75.52865      -15.1  
1 1 1 10 20 52 o 28.36000       1.532000      832.6907      149.6  
1 1 1 10 20 53 o 5.999000       1.327000      373.1496      122.4  
1 1 1 10 20 54 o 11.28000       1.356000      392.1955      15.1   
1 1 1 10 20 55 o 3.999000       1.441000      444.2679      175.3  
1 1 1 10 20 56 o 7.379000       1.501000      456.5695      -16.6  
1 1 1 10 20 57 o -1.012000      1.430000      ?             ?      
1 1 1 10 20 58 o 0.6415000      1.549000      ?             ?      
1 1 1 10 20 59 o -3.065000      1.684000      ?             ?      
1 1 1 10 20 60 o 11.20000       1.619000      ?             ?      
1 1 1 10 20 61 o 0.4336000      1.307000      ?             ?      
1 1 1 10 20 62 o 0.7265000      1.281000      ?             ?      
1 1 1 10 20 63 o -0.2026000     1.293000      ?             ?      
1 1 1 10 20 64 o 1.764000       1.292000      ?             ?      
1 1 1 10 20 65 o 3.353000       1.316000      ?             ?      
1 1 1 10 20 66 o 3.306000       1.326000      ?             ?      
1 1 1 10 20 67 o 2.231000       1.315000      ?             ?      
1 1 1 10 20 68 o 4.333000       1.360000      ?             ?      
1 1 1 10 20 69 o 1.342000       1.545000      ?             ?      
1 1 1 10 20 70 o 5.282000       1.813000      ?             ?      
1 1 1 10 20 71 o 1.924000       1.746000      ?             ?      
1 1 1 10 20 72 o -0.5324000     2.326000      ?             ?      
1 1 1 10 21 0  o 70.28000       2.562000      678.9785      0.0    
1 1 1 10 21 1  o 17.16000       0.8877000     604.7181      78.6   
1 1 1 10 21 2  o 128.7000       3.747000      1446.761      142.0  
1 1 1 10 21 3  o 114.3000       3.385000      1782.917      -74.5  
1 1 1 10 21 4  o 349.6000       8.464000      2252.002      -46.0  
1 1 1 10 21 5  o 49.30000       1.256000      1163.534      78.5   
1 1 1 10 21 6  o 147.0000       3.049000      1650.919      131.1  
1 1 1 10 21 7  o 11.21000       0.7949000     782.2278      -165.9 
1 1 1 10 21 8  o 89.64000       2.963000      1430.145      -93.7  
1 1 1 10 21 9  o 985.3000       22.14000      4227.997      25.1   
1 1 1 10 21 10 o 121.8000       3.203000      1526.431      -146.5 
1 1 1 10 21 11 o 22.08000       1.020000      1004.550      -11.3  
1 1 1 10 21 12 o 62.86000       1.935000      900.6345      -131.5 
1 1 1 10 21 13 o 220.8000       5.135000      2281.496      -52.7  
1 1 1 10 21 14 o 3.505000       1.041000      109.5702      96.5   
1 1 1 10 21 15 o 18.28000       0.9050000     759.2252      131.1  
1 1 1 10 21 16 o 45.08000       1.480000      1386.918      19.1   
1 1 1 10 21 17 o 40.49000       1.366000      1002.321      -50.9  
1 1 1 10 21 18 o 15.38000       1.205000      772.2797      -102.6 
1 1 1 10 21 19 o 152.9000       3.292000      1351.480      -148.1 
1 1 1 10 21 20 o 60.19000       1.922000      1097.919      -8.1   
1 1 1 10 21 21 o 106.4000       3.065000      1397.945      71.1   
1 1 1 10 21 22 o 14.32000       1.712000      694.8313      130.4  
1 1 1 10 21 23 o 291.3000       7.710000      2566.371      43.2   
1 1 1 10 21 24 o 217.1000       4.921000      2089.160      95.9   
1 1 1 10 21 25 o 95.77000       2.304000      1268.497      121.4  
1 1 1 10 21 26 o 164.2000       3.531000      1631.356      -57.5  
1 1 1 10 21 27 o 14.86000       1.020000      361.5912      -41.8  
1 1 1 10 21 28 o 19.33000       1.065000      424.0049      -178.1 
1 1 1 10 21 29 o 3.169000       0.9265000     112.9530      -42.5  
1 1 1 10 21 30 o -0.5546000     0.9092000     241.5062      150.9  
1 1 1 10 21 31 o 4.364000       0.9331000     252.4961      10.2   
1 1 1 10 21 32 o 52.35000       1.515000      1101.802      -36.9  
1 1 1 10 21 33 o 10.41000       0.9623000     327.0060      -48.5  
1 1 1 10 21 34 o 12.65000       0.9950000     537.0560      161.2  
1 1 1 10 21 35 o 53.40000       1.568000      855.6619      -138.9 
1 1 1 10 21 36 o 3.155000       0.9279000     184.7858      0.5    
1 1 1 10 21 37 o 2.794000       0.9387000     178.9009      -8.9   
1 1 1 10 21 38 o 11.54000       1.023000      428.1762      28.8   
1 1 1 10 21 39 o 5.436000       1.076000      293.3493      -93.8  
1 1 1 10 21 40 o 42.18000       1.946000      814.2501      -6.5   
1 1 1 10 21 41 o 26.76000       1.880000      946.5452      -83.3  
1 1 1 10 21 42 o 3.632000       1.177000      367.2246      33.6   
1 1 1 10 21 43 o 112.7000       2.958000      ?             ?      
1 1 1 10 21 44 o 39.35000       1.638000      869.5562      -84.2  
1 1 1 10 21 45 o 16.34000       1.218000      593.6714      146.3  
1 1 1 10 21 46 o 6.681000       1.147000      243.7505      -35.0  
1 1 1 10 21 47 o 30.69000       1.430000      698.1349      -26.7  
1 1 1 10 21 48 o 1.565000       1.210000      150.8239      -112.5 
1 1 1 10 21 49 o 41.71000       1.645000      880.7377      119.1  
1 1 1 10 21 50 o 39.30000       1.635000      884.5473      127.1  
1 1 1 10 21 51 o 24.59000       1.479000      769.9094      -113.1 
1 1 1 10 21 52 o 6.839000       1.330000      292.5901      47.9   
1 1 1 10 21 53 o 3.155000       1.319000      340.7484      51.8   
1 1 1 10 21 54 o 10.87000       1.503000      517.0881      -30.1  
1 1 1 10 21 55 o 24.48000       1.786000      706.2822      73.1   
1 1 1 10 21 56 o 13.75000       1.547000      ?             ?      
1 1 1 10 21 57 o 1.161000       1.300000      ?             ?      
1 1 1 10 21 58 o 23.87000       1.631000      ?             ?      
1 1 1 10 21 59 o 6.766000       1.731000      ?             ?      
1 1 1 10 21 60 o 2.035000       1.554000      ?             ?      
1 1 1 10 21 61 o 17.00000       1.564000      ?             ?      
1 1 1 10 21 62 o -1.449000      1.275000      ?             ?      
1 1 1 10 21 63 o 0.7848000      1.278000      ?             ?      
1 1 1 10 21 64 o 3.540000       1.289000      ?             ?      
1 1 1 10 21 65 o 1.400000       1.291000      ?             ?      
1 1 1 10 21 66 o 0.7780000      1.295000      ?             ?      
1 1 1 10 21 67 o 1.294000       1.334000      ?             ?      
1 1 1 10 21 68 o 6.953000       1.783000      ?             ?      
1 1 1 10 21 69 o 1.272000       2.243000      ?             ?      
1 1 1 10 21 70 o 2.864000       2.184000      ?             ?      
1 1 1 10 21 71 o 1.847000       1.528000      ?             ?      
1 1 1 10 21 72 o 4.121000       1.884000      ?             ?      
1 1 1 10 22 0  o 6.127000       0.9209000     24.71836      180.0  
1 1 1 10 22 1  o 200.3000       5.192000      1676.848      40.4   
1 1 1 10 22 2  o 163.5000       4.073000      1791.167      -10.2  
1 1 1 10 22 3  o 103.0000       3.147000      1164.596      -12.7  
1 1 1 10 22 4  o 159.7000       3.786000      1694.843      -144.3 
1 1 1 10 22 5  o 245.7000       5.341000      2201.752      99.8   
1 1 1 10 22 6  o 173.9000       3.874000      2098.531      -13.7  
1 1 1 10 22 7  o 64.64000       2.204000      874.3176      -65.1  
1 1 1 10 22 8  o 141.4000       3.526000      1829.606      107.0  
1 1 1 10 22 9  o 385.9000       8.833000      2581.799      9.4    
1 1 1 10 22 10 o 139.8000       4.219000      1872.409      -170.1 
1 1 1 10 22 11 o 27.02000       2.208000      1083.064      23.3   
1 1 1 10 22 12 o 246.7000       5.680000      2042.164      114.2  
1 1 1 10 22 13 o 5.881000       1.073000      491.4189      -138.0 
1 1 1 10 22 14 o 68.66000       2.207000      1406.588      41.5   
1 1 1 10 22 15 o 147.1000       3.839000      1841.554      96.5   
1 1 1 10 22 16 o 8.843000       0.9148000     517.5783      -38.8  
1 1 1 10 22 17 o 60.28000       1.744000      1023.830      80.3   
1 1 1 10 22 18 o 16.13000       1.066000      628.8822      -75.1  
1 1 1 10 22 19 o 19.19000       1.079000      649.9345      73.1   
1 1 1 10 22 20 o 186.5000       5.051000      1751.397      -129.4 
1 1 1 10 22 21 o 225.4000       5.383000      2096.913      -160.3 
1 1 1 10 22 22 o 58.95000       2.659000      1078.512      173.8  
1 1 1 10 22 23 o 214.8000       5.186000      1962.375      169.8  
1 1 1 10 22 24 o 8.643000       1.259000      715.4465      -52.8  
1 1 1 10 22 25 o 258.6000       6.582000      2054.306      85.4   
1 1 1 10 22 26 o 75.18000       1.897000      1028.800      -120.1 
1 1 1 10 22 27 o 62.63000       1.680000      1082.660      -27.0  
1 1 1 10 22 28 o 24.27000       1.100000      561.5327      -59.8  
1 1 1 10 22 29 o 16.99000       1.013000      897.7263      129.9  
1 1 1 10 22 30 o 40.12000       1.312000      805.8676      40.3   
1 1 1 10 22 31 o 17.23000       1.019000      703.3333      26.9   
1 1 1 10 22 32 o 7.956000       0.9358000     317.1539      -111.0 
1 1 1 10 22 33 o 67.65000       1.774000      1081.174      18.7   
1 1 1 10 22 34 o 42.22000       1.528000      879.1855      47.8   
1 1 1 10 22 35 o 36.61000       1.295000      960.4590      -155.5 
1 1 1 10 22 36 o 15.28000       1.024000      631.6281      -18.0  
1 1 1 10 22 37 o 65.39000       1.771000      1235.469      146.3  
1 1 1 10 22 38 o 9.541000       1.094000      497.7496      156.1  
1 1 1 10 22 39 o 37.44000       1.734000      797.2152      -3.2   
1 1 1 10 22 40 o 160.4000       4.061000      ?             ?      
1 1 1 10 22 41 o 10.90000       1.212000      361.9259      114.6  
1 1 1 10 22 42 o 21.86000       1.455000      662.2795      -150.3 
1 1 1 10 22 43 o 55.93000       2.240000      1076.548      57.0   
1 1 1 10 22 44 o 32.32000       1.668000      808.2173      -66.4  
1 1 1 10 22 45 o 5.013000       1.221000      307.7223      -32.0  
1 1 1 10 22 46 o 4.155000       1.131000      360.0689      121.7  
1 1 1 10 22 47 o 24.93000       1.353000      714.3105      -40.0  
1 1 1 10 22 48 o 24.38000       1.379000      661.1827      -121.8 
1 1 1 10 22 49 o 39.35000       1.606000      926.5606      6.4    
1 1 1 10 22 50 o 1.604000       1.267000      239.1578      -29.4  
1 1 1 10 22 51 o 40.27000       1.684000      938.7786      -126.2 
1 1 1 10 22 52 o 9.076000       1.342000      397.9786      -157.5 
1 1 1 10 22 53 o 5.442000       1.323000      422.8640      122.2  
1 1 1 10 22 54 o 11.08000       1.504000      448.0201      -172.8 
1 1 1 10 22 55 o 25.58000       1.833000      846.3669      -107.6 
1 1 1 10 22 56 o 2.571000       1.336000      ?             ?      
1 1 1 10 22 57 o 5.473000       1.330000      ?             ?      
1 1 1 10 22 58 o 11.76000       1.491000      ?             ?      
1 1 1 10 22 59 o 2.000000       1.505000      ?             ?      
1 1 1 10 22 60 o 4.197000       1.681000      ?             ?      
1 1 1 10 22 61 o 0.8583000E-01  1.523000      ?             ?      
1 1 1 10 22 62 o 1.113000       1.270000      ?             ?      
1 1 1 10 22 63 o 1.438000       1.245000      ?             ?      
1 1 1 10 22 64 o 1.373000       1.265000      ?             ?      
1 1 1 10 22 65 o 1.365000       1.292000      ?             ?      
1 1 1 10 22 66 o 6.112000       1.477000      ?             ?      
1 1 1 10 22 67 o 4.092000       1.487000      ?             ?      
1 1 1 10 22 68 o 6.126000       2.312000      ?             ?      
1 1 1 10 22 69 o 4.742000       1.776000      ?             ?      
1 1 1 10 22 70 o 2.059000       1.521000      ?             ?      
1 1 1 10 22 71 o 4.986000       1.430000      ?             ?      
1 1 1 10 23 0  o 78.66000       2.877000      1534.613      180.0  
1 1 1 10 23 1  o 26.81000       1.062000      651.5372      82.9   
1 1 1 10 23 2  o 8.078000       0.7864000     801.2454      -134.1 
1 1 1 10 23 3  o 58.97000       1.811000      1176.510      -64.5  
1 1 1 10 23 4  o 50.84000       1.481000      1170.037      108.7  
1 1 1 10 23 5  o 99.43000       2.499000      1639.811      107.1  
1 1 1 10 23 6  o 126.6000       3.109000      1503.214      -157.7 
1 1 1 10 23 7  o 29.98000       1.133000      879.8357      65.0   
1 1 1 10 23 8  o 3.877000       0.8756000     132.6119      97.4   
1 1 1 10 23 9  o 40.88000       1.540000      815.1583      27.5   
1 1 1 10 23 10 o 7.194000       0.9612000     315.8226      -125.9 
1 1 1 10 23 11 o 55.12000       1.946000      1242.210      57.1   
1 1 1 10 23 12 o 27.26000       1.378000      1141.790      -47.7  
1 1 1 10 23 13 o 42.04000       1.348000      749.0917      -69.8  
1 1 1 10 23 14 o 20.34000       1.026000      419.7047      -134.4 
1 1 1 10 23 15 o 39.48000       1.733000      1188.347      37.3   
1 1 1 10 23 16 o 53.71000       1.887000      1382.128      69.2   
1 1 1 10 23 17 o 125.7000       3.522000      1360.721      -110.1 
1 1 1 10 23 18 o 7.004000       1.042000      529.3591      161.7  
1 1 1 10 23 19 o 50.55000       1.851000      960.8254      82.4   
1 1 1 10 23 20 o 146.4000       4.274000      1681.224      -8.6   
1 1 1 10 23 21 o 73.11000       2.742000      1467.291      -43.3  
1 1 1 10 23 22 o 21.20000       1.145000      576.1801      -11.3  
1 1 1 10 23 23 o 48.28000       1.617000      787.0143      14.8   
1 1 1 10 23 24 o 35.27000       1.533000      700.4560      130.2  
1 1 1 10 23 25 o 9.594000       1.076000      715.5974      -19.3  
1 1 1 10 23 26 o 77.40000       2.102000      1213.366      83.8   
1 1 1 10 23 27 o 18.52000       1.083000      371.3725      -163.8 
1 1 1 10 23 28 o 21.73000       1.035000      764.3375      -145.2 
1 1 1 10 23 29 o 3.560000       0.8798000     66.05274      11.9   
1 1 1 10 23 30 o 128.5000       2.853000      1526.246      61.0   
1 1 1 10 23 31 o 10.30000       0.9389000     440.5854      -106.7 
1 1 1 10 23 32 o 29.69000       1.162000      696.2589      -143.0 
1 1 1 10 23 33 o 105.9000       2.464000      1496.835      -151.1 
1 1 1 10 23 34 o 3.345000       0.9322000     118.8513      -56.2  
1 1 1 10 23 35 o 31.64000       1.233000      694.4500      12.7   
1 1 1 10 23 36 o 14.95000       1.039000      453.2417      122.8  
1 1 1 10 23 37 o 98.81000       2.539000      1318.587      -142.7 
1 1 1 10 23 38 o 14.11000       1.314000      735.2006      -67.9  
1 1 1 10 23 39 o 24.45000       1.352000      685.1779      -25.7  
1 1 1 10 23 40 o 111.6000       2.859000      ?             ?      
1 1 1 10 23 41 o 82.65000       2.350000      1323.543      -123.7 
1 1 1 10 23 42 o 32.54000       1.617000      932.4050      139.6  
1 1 1 10 23 43 o 33.78000       1.529000      1001.015      -170.5 
1 1 1 10 23 44 o 14.45000       1.348000      429.6949      40.7   
1 1 1 10 23 45 o 31.15000       1.666000      803.2100      109.2  
1 1 1 10 23 46 o 4.362000       1.140000      236.8192      -84.1  
1 1 1 10 23 47 o 18.02000       1.262000      482.0493      -94.9  
1 1 1 10 23 48 o 22.78000       1.350000      706.2970      79.3   
1 1 1 10 23 49 o 21.27000       1.382000      586.2590      65.4   
1 1 1 10 23 50 o 11.77000       1.322000      531.1142      7.4    
1 1 1 10 23 51 o 10.18000       1.329000      522.2104      -48.5  
1 1 1 10 23 52 o 13.63000       1.356000      547.7798      78.3   
1 1 1 10 23 53 o 31.69000       1.734000      753.3597      -17.3  
1 1 1 10 23 54 o 35.32000       2.132000      809.6514      -103.4 
1 1 1 10 23 55 o 0.4616000      1.485000      ?             ?      
1 1 1 10 23 56 o 11.97000       1.386000      ?             ?      
1 1 1 10 23 57 o 1.434000       1.288000      ?             ?      
1 1 1 10 23 58 o -0.4768000     1.281000      ?             ?      
1 1 1 10 23 59 o 6.821000       1.462000      ?             ?      
1 1 1 10 23 60 f 0.3477000      1.629000      ?             ?      
1 1 1 10 23 61 o 4.090000       1.535000      ?             ?      
1 1 1 10 23 62 o 2.482000       1.410000      ?             ?      
1 1 1 10 23 63 o 2.503000       1.276000      ?             ?      
1 1 1 10 23 64 o 0.8703000      1.419000      ?             ?      
1 1 1 10 23 65 o 7.434000       1.498000      ?             ?      
1 1 1 10 23 66 o 4.364000       1.709000      ?             ?      
1 1 1 10 23 67 o 8.630000       1.745000      ?             ?      
1 1 1 10 23 68 o 5.922000       2.153000      ?             ?      
1 1 1 10 23 69 o 1.648000       1.527000      ?             ?      
1 1 1 10 23 70 o 1.109000       1.370000      ?             ?      
1 1 1 10 23 71 o 1.288000       1.386000      ?             ?      
1 1 1 10 24 0  o 3.028000       1.153000      104.3815      0.0    
1 1 1 10 24 1  o 34.44000       1.210000      720.2113      -43.2  
1 1 1 10 24 2  o 15.18000       0.9577000     836.6898      -54.6  
1 1 1 10 24 3  o 52.30000       1.452000      969.2098      145.0  
1 1 1 10 24 4  o 52.31000       1.812000      997.3071      -1.2   
1 1 1 10 24 5  o 490.6000       11.22000      2896.339      13.1   
1 1 1 10 24 6  o 103.5000       2.622000      1762.912      -108.7 
1 1 1 10 24 7  o 86.42000       2.306000      1372.755      -158.7 
1 1 1 10 24 8  o 28.23000       1.329000      847.1390      -1.3   
1 1 1 10 24 9  o 479.4000       11.16000      3033.081      -29.8  
1 1 1 10 24 10 o 42.68000       1.574000      1080.569      83.2   
1 1 1 10 24 11 o 15.19000       1.172000      491.0847      60.6   
1 1 1 10 24 12 o 136.0000       3.714000      2079.360      118.5  
1 1 1 10 24 13 o 175.5000       4.431000      1788.725      72.4   
1 1 1 10 24 14 o 23.93000       1.348000      308.8458      -3.9   
1 1 1 10 24 15 o 98.32000       2.857000      1490.810      -141.0 
1 1 1 10 24 16 o 96.49000       3.112000      1577.515      10.1   
1 1 1 10 24 17 o 34.20000       2.458000      1176.732      82.7   
1 1 1 10 24 18 o 148.0000       4.168000      1693.250      32.3   
1 1 1 10 24 19 o 16.40000       1.195000      667.9135      147.5  
1 1 1 10 24 20 o 23.71000       1.420000      858.8464      -34.3  
1 1 1 10 24 21 o 37.62000       2.399000      1087.493      160.0  
1 1 1 10 24 22 o 19.81000       1.078000      549.2294      -42.1  
1 1 1 10 24 23 o 111.0000       2.733000      1549.457      119.5  
1 1 1 10 24 24 o 8.096000       1.051000      468.3583      96.9   
1 1 1 10 24 25 o 5.056000       1.159000      108.6862      155.7  
1 1 1 10 24 26 o 49.43000       1.920000      909.4655      -31.1  
1 1 1 10 24 27 o 2.153000       0.8691000     248.5936      -44.7  
1 1 1 10 24 28 o 6.654000       0.8747000     400.3581      122.7  
1 1 1 10 24 29 o 12.08000       0.9264000     503.2682      147.5  
1 1 1 10 24 30 o 7.290000       0.9117000     698.1734      -107.4 
1 1 1 10 24 31 o 16.33000       0.9874000     700.6376      35.1   
1 1 1 10 24 32 o 17.43000       1.008000      665.3145      -24.2  
1 1 1 10 24 33 o 93.10000       2.216000      1511.578      66.4   
1 1 1 10 24 34 o 8.431000       0.9435000     593.4371      -127.5 
1 1 1 10 24 35 o 5.964000       0.9382000     314.7905      -158.7 
1 1 1 10 24 36 o 7.124000       0.9727000     395.8689      6.4    
1 1 1 10 24 37 o 3.972000       1.041000      191.7761      88.9   
1 1 1 10 24 38 o 56.20000       2.118000      1084.483      -22.3  
1 1 1 10 24 39 o 118.9000       3.147000      ?             ?      
1 1 1 10 24 40 o 2.823000       1.022000      85.33084      143.0  
1 1 1 10 24 41 o 27.10000       1.270000      770.8691      86.3   
1 1 1 10 24 42 o 15.34000       1.263000      581.3837      -84.7  
1 1 1 10 24 43 o 1.777000       1.290000      66.03760      95.6   
1 1 1 10 24 44 o 57.80000       2.332000      1164.699      -64.7  
1 1 1 10 24 45 o -0.4564000     1.338000      91.68076      -68.9  
1 1 1 10 24 46 o 12.33000       1.299000      381.7611      96.1   
1 1 1 10 24 47 o 4.682000       1.151000      405.1208      -73.0  
1 1 1 10 24 48 o 8.666000       1.213000      465.4630      83.4   
1 1 1 10 24 49 o 23.16000       1.397000      579.0197      83.6   
1 1 1 10 24 50 o 17.77000       1.381000      659.3796      -91.0  
1 1 1 10 24 51 o 2.701000       1.285000      153.1951      -86.8  
1 1 1 10 24 52 o 5.146000       1.281000      438.0600      130.5  
1 1 1 10 24 53 o 4.615000       1.420000      292.5339      -30.2  
1 1 1 10 24 54 o 5.764000       1.483000      239.6337      166.9  
1 1 1 10 24 55 o 12.03000       1.397000      ?             ?      
1 1 1 10 24 56 o 7.703000       1.326000      ?             ?      
1 1 1 10 24 57 o 12.56000       1.378000      ?             ?      
1 1 1 10 24 58 f 9.550000       1.351000      ?             ?      
1 1 1 10 24 59 o 3.297000       1.422000      ?             ?      
1 1 1 10 24 60 o 0.4336000      1.488000      ?             ?      
1 1 1 10 24 61 o 4.533000       1.657000      ?             ?      
1 1 1 10 24 62 f 1.191000       1.504000      ?             ?      
1 1 1 10 24 63 o -2.221000      1.400000      ?             ?      
1 1 1 10 24 64 o 0.4144000      1.428000      ?             ?      
1 1 1 10 24 65 o 6.572000       1.460000      ?             ?      
1 1 1 10 24 66 o 0.1655000      1.426000      ?             ?      
1 1 1 10 24 67 o 4.766000       1.547000      ?             ?      
1 1 1 10 24 68 o 3.616000       1.554000      ?             ?      
1 1 1 10 24 69 o 1.187000       1.363000      ?             ?      
1 1 1 10 24 70 o -0.2587000     1.359000      ?             ?      
1 1 1 10 25 0  o 7.982000       1.309000      706.2414      -180.0 
1 1 1 10 25 1  o 14.76000       0.9085000     564.5027      52.9   
1 1 1 10 25 2  o 36.03000       1.174000      1172.725      120.1  
1 1 1 10 25 3  o 2.318000       0.8288000     186.6096      19.1   
1 1 1 10 25 4  o 41.21000       1.409000      1556.203      144.2  
1 1 1 10 25 5  o 16.99000       1.098000      650.9984      -35.9  
1 1 1 10 25 6  o 74.06000       2.056000      1471.607      -5.7   
1 1 1 10 25 7  o 87.21000       2.321000      1219.371      150.5  
1 1 1 10 25 8  o 9.696000       0.9400000     650.3578      113.3  
1 1 1 10 25 9  o 56.29000       1.947000      825.6841      157.6  
1 1 1 10 25 10 o 50.99000       1.753000      788.8275      85.9   
1 1 1 10 25 11 o 8.984000       1.117000      717.4249      130.7  
1 1 1 10 25 12 o 84.89000       2.407000      1334.959      -91.9  
1 1 1 10 25 13 o 93.75000       2.617000      1526.703      -172.4 
1 1 1 10 25 14 o 46.68000       1.884000      1022.388      -13.4  
1 1 1 10 25 15 o 110.6000       3.238000      1835.294      55.4   
1 1 1 10 25 16 o 46.69000       1.865000      954.8691      64.2   
1 1 1 10 25 17 o 41.64000       1.808000      1024.858      -179.1 
1 1 1 10 25 18 o 15.02000       1.878000      721.3329      44.8   
1 1 1 10 25 19 o 81.93000       3.187000      1408.236      103.7  
1 1 1 10 25 21 o 8.261000       1.048000      481.9708      -32.9  
1 1 1 10 25 22 o 75.85000       2.487000      1378.781      130.7  
1 1 1 10 25 23 o 17.66000       1.264000      860.8194      141.7  
1 1 1 10 25 24 o 42.92000       1.717000      1129.034      -86.7  
1 1 1 10 25 25 o 34.46000       1.437000      741.7114      48.2   
1 1 1 10 25 26 o 49.63000       2.041000      1056.544      99.4   
1 1 1 10 25 27 o 22.51000       1.163000      590.1409      147.0  
1 1 1 10 25 28 o 5.371000       0.8592000     275.2726      -108.8 
1 1 1 10 25 29 o 21.97000       1.039000      874.1082      -17.0  
1 1 1 10 25 30 o 5.871000       0.8864000     515.7526      79.7   
1 1 1 10 25 31 o 12.29000       0.9365000     379.1053      -111.5 
1 1 1 10 25 32 o 17.41000       1.000000      581.2505      -142.7 
1 1 1 10 25 33 o 36.72000       1.260000      737.2740      10.7   
1 1 1 10 25 34 o 16.74000       0.9978000     532.9277      115.3  
1 1 1 10 25 35 o 0.4206000      0.9049000     332.7039      24.2   
1 1 1 10 25 36 o 95.10000       2.436000      1498.531      -154.0 
1 1 1 10 25 37 o 22.47000       1.232000      609.0342      -179.3 
1 1 1 10 25 38 o 7.048000       1.139000      320.3100      -75.0  
1 1 1 10 25 39 o 6.352000       1.065000      407.3912      -47.5  
1 1 1 10 25 40 o 4.460000       1.019000      273.7352      -148.2 
1 1 1 10 25 41 o 17.91000       1.157000      432.5799      168.0  
1 1 1 10 25 42 o 5.160000       1.181000      389.8000      58.9   
1 1 1 10 25 43 o 0.2488000      1.266000      208.5420      134.2  
1 1 1 10 25 44 o 8.353000       1.253000      391.1778      88.4   
1 1 1 10 25 45 o 15.76000       1.353000      500.2858      -177.0 
1 1 1 10 25 46 o 1.683000       1.343000      211.2494      -139.0 
1 1 1 10 25 47 o 5.810000       1.293000      376.9145      51.2   
1 1 1 10 25 48 o 5.408000       1.208000      361.9786      19.6   
1 1 1 10 25 49 o 12.13000       1.291000      472.5248      21.0   
1 1 1 10 25 50 o 4.768000       1.275000      318.4570      66.2   
1 1 1 10 25 51 o 1.532000       1.257000      33.80932      115.1  
1 1 1 10 25 52 o 2.840000       1.324000      156.2566      157.1  
1 1 1 10 25 53 o 13.37000       1.595000      606.9486      -41.3  
1 1 1 10 25 54 o 4.435000       1.434000      ?             ?      
1 1 1 10 25 55 o 0.2789000      1.267000      ?             ?      
1 1 1 10 25 56 o 10.82000       1.340000      ?             ?      
1 1 1 10 25 57 o 5.962000       1.303000      ?             ?      
1 1 1 10 25 58 o 5.598000       1.295000      ?             ?      
1 1 1 10 25 59 o 13.93000       1.392000      ?             ?      
1 1 1 10 25 60 o -0.9398000     1.705000      ?             ?      
1 1 1 10 25 61 o 5.301000       1.642000      ?             ?      
1 1 1 10 25 62 o 1.671000       1.534000      ?             ?      
1 1 1 10 25 63 o 0.9758000      1.506000      ?             ?      
1 1 1 10 25 64 o 1.966000       1.392000      ?             ?      
1 1 1 10 25 65 o 7.152000       1.460000      ?             ?      
1 1 1 10 25 66 o 2.351000       1.476000      ?             ?      
1 1 1 10 25 67 o 0.5432000      1.775000      ?             ?      
1 1 1 10 25 69 o -0.7361000     1.344000      ?             ?      
1 1 1 10 25 70 o 4.358000       1.374000      ?             ?      
1 1 1 10 26 0  o 1.221000       1.346000      177.2231      180.0  
1 1 1 10 26 1  o 11.90000       0.9533000     588.9744      -87.4  
1 1 1 10 26 2  o 54.98000       1.548000      871.7422      -72.8  
1 1 1 10 26 3  o 0.1756000      0.8935000     298.5316      148.2  
1 1 1 10 26 4  o 29.14000       1.191000      814.7264      -46.9  
1 1 1 10 26 5  o 5.448000       1.024000      47.78102      113.2  
1 1 1 10 26 6  o 28.44000       1.273000      679.7748      3.2    
1 1 1 10 26 7  o 35.22000       1.375000      903.4015      -77.7  
1 1 1 10 26 8  o 74.09000       2.376000      1115.194      -17.9  
1 1 1 10 26 9  o 6.599000       1.120000      323.0902      -100.5 
1 1 1 10 26 10 o 56.01000       1.890000      791.0743      10.4   
1 1 1 10 26 11 o 29.94000       1.390000      1046.660      -95.3  
1 1 1 10 26 12 o 22.79000       1.207000      933.4775      84.3   
1 1 1 10 26 13 o 27.11000       1.415000      650.4576      -135.1 
1 1 1 10 26 14 o 26.91000       1.380000      970.7570      -157.1 
1 1 1 10 26 15 o 2.388000       1.161000      454.2276      178.6  
1 1 1 10 26 16 o 81.55000       2.522000      1282.113      56.3   
1 1 1 10 26 17 o 1.544000       1.239000      72.38457      11.6   
1 1 1 10 26 18 o 166.4000       6.152000      1831.254      -84.4  
1 1 1 10 26 19 o 3.722000       1.764000      137.8635      -103.5 
1 1 1 10 26 20 o 29.76000       1.587000      641.3489      -77.0  
1 1 1 10 26 21 o 6.141000       1.053000      459.1544      -173.4 
1 1 1 10 26 22 o 18.96000       1.232000      665.5466      7.1    
1 1 1 10 26 23 o 17.96000       1.163000      678.2247      87.1   
1 1 1 10 26 24 o 26.07000       1.174000      528.4274      -149.6 
1 1 1 10 26 25 o 23.26000       1.252000      845.5151      44.8   
1 1 1 10 26 26 o 1.473000       0.9989000     405.9053      -120.3 
1 1 1 10 26 27 o 1.559000       1.173000      316.3560      -156.4 
1 1 1 10 26 28 o 19.78000       1.420000      689.6709      156.8  
1 1 1 10 26 29 o 25.86000       1.099000      819.3296      -150.2 
1 1 1 10 26 30 o 50.94000       1.474000      879.2899      85.2   
1 1 1 10 26 31 o 16.79000       0.9769000     740.7886      46.0   
1 1 1 10 26 32 o 4.734000       0.8749000     283.1898      161.1  
1 1 1 10 26 33 o 5.893000       0.8871000     275.3261      106.7  
1 1 1 10 26 34 o -0.7820000     0.8676000     205.8897      71.5   
1 1 1 10 26 35 o 7.590000       0.9286000     470.9355      -49.2  
1 1 1 10 26 36 o -0.3303000     0.9469000     181.4808      -172.2 
1 1 1 10 26 37 o 16.07000       1.229000      609.4708      -107.6 
1 1 1 10 26 38 o 10.95000       1.127000      445.7684      -125.7 
1 1 1 10 26 39 o 80.31000       2.081000      1303.444      25.8   
1 1 1 10 26 40 o 33.93000       1.341000      838.5875      96.6   
1 1 1 10 26 41 o 13.01000       1.111000      560.2316      138.2  
1 1 1 10 26 42 o 12.71000       1.125000      549.4919      -63.1  
1 1 1 10 26 43 o 3.386000       1.208000      128.6079      -81.6  
1 1 1 10 26 44 o 22.78000       1.536000      714.6965      -43.2  
1 1 1 10 26 45 o 4.669000       1.286000      277.7056      119.9  
1 1 1 10 26 46 o 7.112000       1.423000      421.9862      122.9  
1 1 1 10 26 47 o 1.527000       1.293000      269.8695      -38.1  
1 1 1 10 26 48 o 14.11000       1.307000      446.6251      109.5  
1 1 1 10 26 49 o 2.535000       1.246000      327.3840      -156.8 
1 1 1 10 26 50 o 10.54000       1.309000      535.4368      -38.3  
1 1 1 10 26 51 o 2.057000       1.264000      199.4798      61.3   
1 1 1 10 26 52 o 10.75000       1.440000      547.2764      102.0  
1 1 1 10 26 53 o 16.28000       1.654000      ?             ?      
1 1 1 10 26 54 o 5.392000       1.347000      ?             ?      
1 1 1 10 26 55 o 5.339000       1.271000      ?             ?      
1 1 1 10 26 56 o 8.653000       1.311000      ?             ?      
1 1 1 10 26 57 o -0.4126000E-01 1.247000      ?             ?      
1 1 1 10 26 58 o 5.441000       1.390000      ?             ?      
1 1 1 10 26 59 o 3.883000       1.274000      ?             ?      
1 1 1 10 26 60 o 5.831000       1.563000      ?             ?      
1 1 1 10 26 61 o 1.349000       1.495000      ?             ?      
1 1 1 10 26 62 o 0.5495000      1.733000      ?             ?      
1 1 1 10 26 63 o 0.7786000      1.777000      ?             ?      
1 1 1 10 26 64 o 0.2934000      1.425000      ?             ?      
1 1 1 10 26 65 o 5.329000       1.346000      ?             ?      
1 1 1 10 26 66 o 2.565000       1.488000      ?             ?      
1 1 1 10 26 67 o -2.374000      1.503000      ?             ?      
1 1 1 10 26 68 o -0.2033000     1.344000      ?             ?      
1 1 1 10 26 69 o -1.880000      1.336000      ?             ?      
1 1 1 10 26 70 o 0.1060000      2.496000      ?             ?      
1 1 1 10 27 0  o 92.62000       3.445000      1816.276      -0.0   
1 1 1 10 27 1  o 24.43000       1.186000      860.0533      -112.9 
1 1 1 10 27 2  o 5.674000       0.9909000     513.9257      -105.3 
1 1 1 10 27 3  o 16.94000       0.9268000     463.2725      85.2   
1 1 1 10 27 4  o 44.36000       1.436000      827.6503      -119.8 
1 1 1 10 27 5  o 6.511000       1.006000      616.3923      -28.5  
1 1 1 10 27 6  o 16.42000       1.169000      698.5953      86.3   
1 1 1 10 27 7  o 4.705000       1.109000      646.5543      157.8  
1 1 1 10 27 8  o 17.06000       1.385000      892.9630      13.8   
1 1 1 10 27 9  o 84.93000       2.501000      1432.815      176.4  
1 1 1 10 27 10 o 83.18000       2.729000      1446.233      -37.2  
1 1 1 10 27 11 o 92.46000       2.932000      1454.520      162.8  
1 1 1 10 27 12 o -0.1956000     1.020000      168.6073      -147.9 
1 1 1 10 27 13 o 25.11000       1.354000      876.2441      106.0  
1 1 1 10 27 14 o 127.2000       3.392000      1711.470      -49.8  
1 1 1 10 27 15 o 15.41000       1.277000      726.0194      94.7   
1 1 1 10 27 16 o 25.63000       1.418000      773.5653      13.5   
1 1 1 10 27 17 o 3.739000       1.578000      163.6259      -143.7 
1 1 1 10 27 18 o 23.70000       2.049000      895.1391      42.7   
1 1 1 10 27 19 o 1.363000       1.359000      147.9772      -61.1  
1 1 1 10 27 20 o 11.14000       2.048000      526.0645      -121.8 
1 1 1 10 27 21 o 26.41000       1.353000      641.3863      33.8   
1 1 1 10 27 22 o 36.46000       1.565000      804.1273      153.7  
1 1 1 10 27 23 o 12.48000       0.8986000     633.6033      -167.9 
1 1 1 10 27 24 o 21.30000       1.131000      530.2645      -24.4  
1 1 1 10 27 25 o 10.77000       0.9829000     486.9599      146.9  
1 1 1 10 27 26 o 20.02000       1.152000      775.7377      -171.7 
1 1 1 10 27 27 o 0.7106000      1.104000      51.94622      -175.0 
1 1 1 10 27 28 o 21.04000       1.238000      755.1144      -73.2  
1 1 1 10 27 29 o 13.83000       1.288000      552.9849      -175.6 
1 1 1 10 27 30 o 16.21000       1.027000      577.5141      106.0  
1 1 1 10 27 31 o 0.7448000E-01  0.8500000     238.0414      -47.8  
1 1 1 10 27 32 o 3.725000       0.8609000     152.8133      -99.2  
1 1 1 10 27 33 o -0.1087000     0.8575000     223.0882      134.2  
1 1 1 10 27 34 o 39.23000       1.322000      923.3841      -146.6 
1 1 1 10 27 35 o 11.89000       1.014000      501.9437      -59.8  
1 1 1 10 27 36 o 3.569000       1.012000      263.1678      93.7   
1 1 1 10 27 37 o 6.188000       1.117000      365.5062      -84.7  
1 1 1 10 27 38 o 3.432000       1.020000      119.9444      -79.0  
1 1 1 10 27 39 o 5.207000       1.013000      290.3265      -140.1 
1 1 1 10 27 40 o 48.62000       1.577000      998.2905      157.8  
1 1 1 10 27 41 o 1.851000       1.040000      45.71054      26.1   
1 1 1 10 27 42 o 11.42000       1.125000      541.6749      80.3   
1 1 1 10 27 43 o 8.987000       1.253000      430.2018      88.4   
1 1 1 10 27 44 f 5.799000       1.370000      402.6501      -46.2  
1 1 1 10 27 45 o 3.006000       1.279000      239.6319      143.2  
1 1 1 10 27 46 o 2.754000       1.332000      199.2043      162.0  
1 1 1 10 27 47 o 3.564000       1.495000      198.7809      46.3   
1 1 1 10 27 48 o 3.677000       1.377000      334.5061      -3.8   
1 1 1 10 27 49 o 4.460000       1.253000      194.2141      34.6   
1 1 1 10 27 50 o 5.571000       1.265000      233.4927      156.1  
1 1 1 10 27 51 o 9.114000       1.361000      495.6275      161.0  
1 1 1 10 27 52 o -0.9292000E-01 1.467000      107.5677      114.4  
1 1 1 10 27 53 o 8.065000       1.439000      ?             ?      
1 1 1 10 27 54 o 2.943000       1.237000      ?             ?      
1 1 1 10 27 55 o 9.592000       1.295000      ?             ?      
1 1 1 10 27 56 o 5.029000       1.414000      ?             ?      
1 1 1 10 27 57 o 0.9502000      1.242000      ?             ?      
1 1 1 10 27 58 o 1.232000       1.360000      ?             ?      
1 1 1 10 27 59 o 1.925000       1.346000      ?             ?      
1 1 1 10 27 60 o 0.1974000      1.397000      ?             ?      
1 1 1 10 27 61 o 2.363000       1.398000      ?             ?      
1 1 1 10 27 62 o -0.2036000     1.346000      ?             ?      
1 1 1 10 27 63 o 1.410000       1.408000      ?             ?      
1 1 1 10 27 64 o -1.369000      1.410000      ?             ?      
1 1 1 10 27 65 o 1.841000       1.444000      ?             ?      
1 1 1 10 27 66 o 0.2179000      1.720000      ?             ?      
1 1 1 10 27 67 o 3.386000       1.501000      ?             ?      
1 1 1 10 27 68 o 2.235000       1.358000      ?             ?      
1 1 1 10 27 69 o 2.539000       1.344000      ?             ?      
1 1 1 10 28 0  o 86.23000       3.294000      1396.913      0.0    
1 1 1 10 28 1  o 55.74000       1.764000      818.7554      -69.5  
1 1 1 10 28 2  o 8.687000       0.9941000     513.9495      -105.4 
1 1 1 10 28 3  o 46.93000       1.534000      1060.192      -32.9  
1 1 1 10 28 4  o 4.521000       0.8854000     368.9376      114.0  
1 1 1 10 28 5  o -0.7772000     1.073000      204.2204      -28.9  
1 1 1 10 28 6  o 6.892000       1.096000      244.7541      -108.1 
1 1 1 10 28 7  o 23.37000       1.281000      802.0341      -108.9 
1 1 1 10 28 8  o 6.856000       1.149000      491.8147      -35.6  
1 1 1 10 28 9  o 2.776000       1.056000      234.0646      -81.7  
1 1 1 10 28 10 o 11.31000       1.092000      591.3198      20.3   
1 1 1 10 28 11 o 0.3448000      1.029000      55.67947      58.3   
1 1 1 10 28 12 o 18.03000       1.168000      789.3008      119.6  
1 1 1 10 28 13 o 7.401000       1.154000      474.8333      156.8  
1 1 1 10 28 14 o 51.04000       1.729000      991.5953      161.9  
1 1 1 10 28 15 o 51.57000       1.784000      859.6569      4.4    
1 1 1 10 28 16 o 3.721000       1.121000      325.7565      -143.3 
1 1 1 10 28 17 o 23.75000       1.802000      871.7240      149.5  
1 1 1 10 28 18 o 4.037000       1.596000      44.84874      -58.7  
1 1 1 10 28 19 o 6.210000       1.794000      319.7145      -60.1  
1 1 1 10 28 20 o 3.962000       1.729000      181.9970      145.9  
1 1 1 10 28 21 o 62.44000       2.233000      913.8149      -137.1 
1 1 1 10 28 22 o 14.95000       1.075000      679.2089      -28.6  
1 1 1 10 28 23 o 19.10000       1.065000      487.6629      16.5   
1 1 1 10 28 24 o 1.814000       0.8567000     258.3485      -55.0  
1 1 1 10 28 25 o 17.01000       0.9921000     584.7854      77.8   
1 1 1 10 28 26 o 4.471000       0.8255000     315.1436      -125.6 
1 1 1 10 28 27 o 6.924000       1.021000      286.0839      106.6  
1 1 1 10 28 28 o 6.700000       1.519000      373.0055      -162.9 
1 1 1 10 28 29 o 14.46000       1.318000      499.2332      -175.6 
1 1 1 10 28 30 o 10.46000       0.9335000     420.1887      66.1   
1 1 1 10 28 31 o 1.999000       0.8823000     222.2262      36.8   
1 1 1 10 28 32 o 5.664000       0.9092000     291.1694      46.0   
1 1 1 10 28 33 o 13.00000       0.9919000     430.3671      -1.2   
1 1 1 10 28 34 o 2.823000       0.8891000     214.7231      122.7  
1 1 1 10 28 35 o 14.80000       1.058000      455.3416      -93.0  
1 1 1 10 28 36 o 9.228000       1.090000      263.7737      124.1  
1 1 1 10 28 37 o 18.08000       1.192000      572.4536      -144.5 
1 1 1 10 28 38 o 5.948000       0.9833000     308.0654      35.6   
1 1 1 10 28 39 o 2.265000       1.004000      311.5564      -58.9  
1 1 1 10 28 40 o 0.7538000      1.020000      319.6860      139.5  
1 1 1 10 28 41 o 6.056000       1.084000      298.4847      -114.4 
1 1 1 10 28 42 o 1.990000       1.087000      149.2182      88.6   
1 1 1 10 28 43 o 0.9315000      1.119000      184.3360      130.5  
1 1 1 10 28 44 o 1.498000       1.238000      263.1548      -77.2  
1 1 1 10 28 45 o 3.690000       1.376000      140.8395      -9.4   
1 1 1 10 28 46 o 2.156000       1.321000      205.4363      121.3  
1 1 1 10 28 47 o 4.208000       1.404000      342.5619      -5.2   
1 1 1 10 28 48 o 6.847000       1.566000      284.3693      -179.4 
1 1 1 10 28 49 o -0.3436000E-01 1.235000      148.3384      75.1   
1 1 1 10 28 50 o 1.272000       1.250000      180.3994      16.8   
1 1 1 10 28 51 o -1.029000      1.353000      194.3360      -177.7 
1 1 1 10 28 52 o 3.077000       1.413000      ?             ?      
1 1 1 10 28 53 o 0.7288000      1.294000      ?             ?      
1 1 1 10 28 54 o 2.295000       1.358000      ?             ?      
1 1 1 10 28 55 o -1.651000      1.233000      ?             ?      
1 1 1 10 28 56 o 5.154000       1.413000      ?             ?      
1 1 1 10 28 57 o 1.757000       1.321000      ?             ?      
1 1 1 10 28 58 o -1.658000      1.339000      ?             ?      
1 1 1 10 28 59 o 3.845000       1.384000      ?             ?      
1 1 1 10 28 60 o 3.050000       1.231000      ?             ?      
1 1 1 10 28 61 o 0.3919000      1.365000      ?             ?      
1 1 1 10 28 62 o 0.6407000      1.480000      ?             ?      
1 1 1 10 28 63 o -0.4698000     1.631000      ?             ?      
1 1 1 10 28 64 o 1.672000       1.517000      ?             ?      
1 1 1 10 28 65 o 3.747000       1.636000      ?             ?      
1 1 1 10 28 66 o 2.494000       1.485000      ?             ?      
1 1 1 10 28 67 o -1.846000      1.299000      ?             ?      
1 1 1 10 28 68 o -0.1813000     1.309000      ?             ?      
1 1 1 10 29 0  o 41.94000       2.079000      1033.716      -0.0   
1 1 1 10 29 1  o -0.6523000E-01 0.9984000     178.9727      -161.2 
1 1 1 10 29 2  o 94.52000       2.500000      1285.165      38.7   
1 1 1 10 29 3  o 84.25000       2.274000      1122.322      -110.2 
1 1 1 10 29 4  o 7.182000       0.8924000     259.9745      -88.9  
1 1 1 10 29 5  o 2.061000       0.9920000     128.8052      133.9  
1 1 1 10 29 6  o 32.26000       1.334000      870.5979      30.0   
1 1 1 10 29 7  o 4.999000       1.245000      225.6267      -105.5 
1 1 1 10 29 8  o -0.7314000     1.226000      273.2776      -81.0  
1 1 1 10 29 9  o 6.202000       1.138000      259.9084      150.6  
1 1 1 10 29 10 o -1.322000      1.030000      124.2980      -58.5  
1 1 1 10 29 11 o 9.784000       1.180000      706.8065      169.8  
1 1 1 10 29 12 o 10.19000       1.113000      396.6640      87.8   
1 1 1 10 29 13 o 11.58000       1.176000      474.5983      -176.2 
1 1 1 10 29 14 o 1.798000       1.079000      248.2925      -59.2  
1 1 1 10 29 15 o 2.819000       1.091000      227.3965      62.6   
1 1 1 10 29 16 o 7.584000       1.494000      286.2774      -59.5  
1 1 1 10 29 17 o 8.810000       1.602000      313.7841      -86.3  
1 1 1 10 29 18 o 2.045000       1.231000      79.12622      -111.6 
1 1 1 10 29 19 o 7.111000       1.785000      407.3797      50.2   
1 1 1 10 29 20 o 12.11000       1.312000      456.8766      41.8   
1 1 1 10 29 21 o 3.993000       1.236000      432.9227      -102.2 
1 1 1 10 29 22 o 3.324000       0.9347000     110.8417      98.9   
1 1 1 10 29 23 o 3.846000       0.8937000     245.5832      116.3  
1 1 1 10 29 24 o 1.950000       0.8257000     296.7472      -161.3 
1 1 1 10 29 25 o 5.855000       0.8203000     304.2518      -177.7 
1 1 1 10 29 26 o 17.99000       0.9476000     591.0031      -92.3  
1 1 1 10 29 27 o 4.456000       1.067000      322.5541      6.0    
1 1 1 10 29 28 o 9.968000       1.164000      437.3698      159.7  
1 1 1 10 29 29 o 8.747000       1.194000      320.6962      -175.9 
1 1 1 10 29 30 o 10.32000       1.245000      330.6665      -28.4  
1 1 1 10 29 31 o 0.4001000      0.9268000     146.2609      -151.4 
1 1 1 10 29 32 o 0.2213000      0.8950000     128.4867      93.5   
1 1 1 10 29 33 o -0.4977000     0.8555000     69.82149      -28.4  
1 1 1 10 29 34 o -1.915000      0.9071000     36.11693      -99.7  
1 1 1 10 29 35 o 8.090000       1.070000      395.0325      81.2   
1 1 1 10 29 36 o 1.105000       1.052000      108.4420      -92.0  
1 1 1 10 29 37 o 12.17000       1.083000      471.1928      -100.4 
1 1 1 10 29 38 o 14.48000       1.068000      512.7413      43.1   
1 1 1 10 29 39 o 1.715000       1.004000      261.2850      134.2  
1 1 1 10 29 40 o 2.925000       1.037000      201.3911      -94.0  
1 1 1 10 29 41 o 4.997000       1.101000      309.2387      -174.4 
1 1 1 10 29 42 o 9.784000       1.163000      320.9380      103.1  
1 1 1 10 29 43 o -0.3155000E-01 1.128000      101.6899      -34.9  
1 1 1 10 29 44 o 4.334000       1.256000      309.7359      -65.4  
1 1 1 10 29 45 o 5.443000       1.411000      194.0596      99.0   
1 1 1 10 29 46 o 5.445000       1.327000      151.5969      62.0   
1 1 1 10 29 47 o 3.193000       1.401000      287.4762      77.6   
1 1 1 10 29 48 o 2.949000       1.538000      172.6931      -176.1 
1 1 1 10 29 49 o 6.260000       1.433000      276.0424      -143.2 
1 1 1 10 29 50 o 5.101000       1.340000      253.4112      175.8  
1 1 1 10 29 51 o 6.844000       1.531000      ?             ?      
1 1 1 10 29 52 o -2.667000      1.564000      ?             ?      
1 1 1 10 29 53 o 2.253000       1.369000      ?             ?      
1 1 1 10 29 54 o 0.9579000      1.376000      ?             ?      
1 1 1 10 29 55 o 5.853000       1.381000      ?             ?      
1 1 1 10 29 56 o -0.8495000     1.342000      ?             ?      
1 1 1 10 29 57 o -0.5299000     1.326000      ?             ?      
1 1 1 10 29 58 o 0.3845000      1.196000      ?             ?      
1 1 1 10 29 59 o -0.2708000     1.190000      ?             ?      
1 1 1 10 29 60 o 1.442000       1.213000      ?             ?      
1 1 1 10 29 61 o -1.121000      1.239000      ?             ?      
1 1 1 10 29 62 o 9.580000       1.585000      ?             ?      
1 1 1 10 29 63 o 0.3528000      1.387000      ?             ?      
1 1 1 10 29 64 o -0.9924000     1.609000      ?             ?      
1 1 1 10 29 65 o 2.390000       1.971000      ?             ?      
1 1 1 10 29 66 o 2.291000       1.458000      ?             ?      
1 1 1 10 29 67 o 1.410000       1.319000      ?             ?      
1 1 1 10 29 68 o 0.8234000      1.329000      ?             ?      
1 1 1 10 30 0  o 0.8485000      1.220000      66.00690      -0.0   
1 1 1 10 30 1  o 4.845000       1.092000      134.9039      -46.1  
1 1 1 10 30 2  o 40.18000       1.445000      696.2667      -70.7  
1 1 1 10 30 3  o -0.7917000     0.9254000     233.3494      -110.3 
1 1 1 10 30 4  o 11.03000       0.8937000     350.8157      -102.0 
1 1 1 10 30 5  o 1.522000       0.8457000     82.40757      169.6  
1 1 1 10 30 6  o 12.52000       1.253000      318.0552      -106.3 
1 1 1 10 30 7  o 5.496000       1.066000      298.6078      136.4  
1 1 1 10 30 8  o 6.365000       1.089000      383.1330      20.5   
1 1 1 10 30 9  o 0.2517000      1.075000      138.0852      43.0   
1 1 1 10 30 10 o -0.2983000     1.014000      50.31704      9.5    
1 1 1 10 30 11 o 6.506000       1.035000      342.0920      -16.0  
1 1 1 10 30 12 o 9.191000       1.181000      305.5669      141.6  
1 1 1 10 30 13 o 3.540000       1.083000      222.5413      160.4  
1 1 1 10 30 14 o 4.405000       1.092000      115.1271      -167.7 
1 1 1 10 30 15 o 5.143000       1.128000      118.3442      -126.7 
1 1 1 10 30 16 o 2.525000       1.484000      205.6441      139.8  
1 1 1 10 30 17 o 5.337000       1.237000      197.0274      146.7  
1 1 1 10 30 18 o -0.9825000     1.649000      96.28719      158.9  
1 1 1 10 30 19 o 10.72000       1.709000      353.0389      -20.0  
1 1 1 10 30 20 o 39.08000       1.754000      731.0119      145.8  
1 1 1 10 30 21 o 6.424000       1.239000      193.4355      -63.6  
1 1 1 10 30 22 o 26.81000       1.528000      739.5875      5.9    
1 1 1 10 30 23 o 0.2613000      1.041000      164.5857      -61.7  
1 1 1 10 30 24 o 2.636000       0.8574000     174.7583      -151.1 
1 1 1 10 30 25 o 4.611000       0.8168000     178.5059      141.9  
1 1 1 10 30 26 o -0.1298000     0.7826000     30.31997      104.0  
1 1 1 10 30 27 o 1.092000       0.7974000     94.90584      -128.0 
1 1 1 10 30 28 o 0.9119000      0.9035000     253.1461      -67.0  
1 1 1 10 30 29 o -2.062000      0.9584000     103.0669      106.7  
1 1 1 10 30 30 o 2.668000       1.249000      56.62103      104.7  
1 1 1 10 30 31 o 2.160000       1.109000      175.9571      18.0   
1 1 1 10 30 32 o 7.649000       0.9134000     305.3653      115.0  
1 1 1 10 30 33 o 2.659000       0.9100000     172.0139      68.8   
1 1 1 10 30 34 o 1.248000       0.9788000     185.7696      -146.3 
1 1 1 10 30 35 o 6.336000       1.072000      331.2843      -167.1 
1 1 1 10 30 36 o -1.647000      1.121000      168.8232      59.7   
1 1 1 10 30 37 o 0.8238000      0.9511000     178.9641      -99.6  
1 1 1 10 30 38 o 5.229000       1.036000      242.1624      52.2   
1 1 1 10 30 39 o -0.6841000E-01 1.040000      106.1444      50.1   
1 1 1 10 30 40 o 1.889000       1.054000      121.2885      29.0   
1 1 1 10 30 41 o 3.600000       1.114000      284.8536      -21.0  
1 1 1 10 30 42 o 11.52000       1.206000      382.8181      -126.6 
1 1 1 10 30 43 o 2.783000       1.150000      106.1264      -27.9  
1 1 1 10 30 44 o 2.928000       1.174000      213.6984      -35.5  
1 1 1 10 30 45 o 1.554000       1.301000      233.4031      100.7  
1 1 1 10 30 46 o -0.1921000     1.408000      60.50834      144.0  
1 1 1 10 30 47 o 3.365000       1.495000      146.3821      -120.6 
1 1 1 10 30 48 o 3.261000       1.426000      155.1678      -112.3 
1 1 1 10 30 49 o 1.324000       1.521000      57.67637      36.6   
1 1 1 10 30 50 o 3.341000       1.573000      ?             ?      
1 1 1 10 30 51 o -0.6874000     1.631000      ?             ?      
1 1 1 10 30 52 o 2.043000       1.727000      ?             ?      
1 1 1 10 30 53 o -0.2868000     1.330000      ?             ?      
1 1 1 10 30 54 o 1.809000       1.356000      ?             ?      
1 1 1 10 30 55 o 3.943000       1.359000      ?             ?      
1 1 1 10 30 56 o 5.780000       1.232000      ?             ?      
1 1 1 10 30 57 o 1.859000       1.197000      ?             ?      
1 1 1 10 30 58 o 0.2421000      1.183000      ?             ?      
1 1 1 10 30 59 o 0.3750000      1.192000      ?             ?      
1 1 1 10 30 60 o 1.432000       1.220000      ?             ?      
1 1 1 10 30 61 o 2.380000       1.245000      ?             ?      
1 1 1 10 30 62 o -0.6462000E-02 1.387000      ?             ?      
1 1 1 10 30 63 o -0.4132000     1.506000      ?             ?      
1 1 1 10 30 64 o -0.7513000     2.138000      ?             ?      
1 1 1 10 30 65 o -0.2261000     1.822000      ?             ?      
1 1 1 10 30 66 o 0.7111000      1.436000      ?             ?      
1 1 1 10 30 67 o -0.1056000     1.304000      ?             ?      
1 1 1 10 31 0  o 5.748000       1.138000      380.8332      0.0    
1 1 1 10 31 1  o 2.469000       0.8468000     242.3189      14.3   
1 1 1 10 31 2  o 0.7791000      0.9132000     221.3322      28.6   
1 1 1 10 31 3  o 3.204000       0.8918000     102.9159      -179.7 
1 1 1 10 31 4  o 2.665000       0.8150000     148.8987      -61.9  
1 1 1 10 31 5  o 14.19000       0.9180000     357.7002      21.9   
1 1 1 10 31 6  o 7.171000       0.9928000     327.2051      160.4  
1 1 1 10 31 7  o 8.798000       1.193000      45.49091      -22.8  
1 1 1 10 31 8  o 0.2713000      1.027000      87.69884      159.7  
1 1 1 10 31 9  o 0.9172000      1.077000      50.10507      145.4  
1 1 1 10 31 10 o 4.206000       1.028000      176.5148      -85.7  
1 1 1 10 31 11 o 0.4880000      1.005000      16.42227      29.8   
1 1 1 10 31 12 o 1.875000       0.9904000     41.40614      -67.2  
1 1 1 10 31 13 o 1.338000       1.062000      35.68533      -121.7 
1 1 1 10 31 14 o 1.616000       1.049000      37.49659      108.5  
1 1 1 10 31 15 o 19.67000       1.715000      538.9619      9.8    
1 1 1 10 31 16 o 11.35000       1.589000      240.7298      -114.3 
1 1 1 10 31 17 o -0.9273000E-01 1.139000      102.7064      -83.8  
1 1 1 10 31 18 o 1.350000       1.584000      165.3300      121.9  
1 1 1 10 31 19 o 1.969000       0.9427000     185.1996      -26.4  
1 1 1 10 31 20 o 3.727000       1.164000      160.2002      -17.1  
1 1 1 10 31 21 o 0.3582000      1.180000      75.11723      -165.2 
1 1 1 10 31 22 o 3.851000       1.190000      199.5332      50.0   
1 1 1 10 31 23 o 8.648000       1.091000      117.9660      -112.4 
1 1 1 10 31 24 o 1.950000       1.048000      124.8012      -134.7 
1 1 1 10 31 25 o 2.662000       0.8560000     152.4804      -75.7  
1 1 1 10 31 26 o 5.282000       0.9607000     160.1447      -74.4  
1 1 1 10 31 27 o 3.927000       0.8001000     152.7767      95.9   
1 1 1 10 31 28 o -0.7122000E-01 0.7994000     131.4855      33.8   
1 1 1 10 31 29 o 1.563000       0.8983000     128.7247      -23.9  
1 1 1 10 31 30 o 3.228000       0.9262000     120.4822      -22.3  
1 1 1 10 31 31 o 3.166000       1.157000      94.62040      83.3   
1 1 1 10 31 32 o 1.839000       1.085000      121.0001      174.6  
1 1 1 10 31 33 o -0.8089000     0.9380000     89.02653      162.4  
1 1 1 10 31 34 o 1.358000       1.007000      106.9958      -59.9  
1 1 1 10 31 35 o 4.745000       1.091000      162.9136      17.4   
1 1 1 10 31 36 o 9.297000       1.199000      213.7689      -31.6  
1 1 1 10 31 37 o -0.1872000     1.059000      94.99747      179.3  
1 1 1 10 31 38 o 3.335000       1.054000      202.4112      63.1   
1 1 1 10 31 39 o 4.917000       1.049000      117.9750      88.7   
1 1 1 10 31 40 o 6.900000       1.133000      282.6133      -158.1 
1 1 1 10 31 41 o 3.016000       1.180000      165.1326      70.1   
1 1 1 10 31 42 o 2.991000       1.204000      162.3420      103.2  
1 1 1 10 31 43 o 2.980000       1.152000      132.6527      -55.1  
1 1 1 10 31 44 o 1.354000       1.171000      40.52257      106.9  
1 1 1 10 31 45 o -1.359000      1.294000      104.2054      36.4   
1 1 1 10 31 46 o 3.821000       1.453000      111.2894      -112.0 
1 1 1 10 31 47 o 0.6093000      1.464000      137.2699      52.8   
1 1 1 10 31 48 o 9.324000       1.441000      225.6625      -67.4  
1 1 1 10 31 49 o -1.715000      1.434000      33.56155      -85.8  
1 1 1 10 31 50 o 8.852000       2.555000      ?             ?      
1 1 1 10 31 51 o 1.105000       1.525000      ?             ?      
1 1 1 10 31 52 o 7.150000       1.390000      ?             ?      
1 1 1 10 31 53 o 0.3240000      1.213000      ?             ?      
1 1 1 10 31 54 o 2.334000       1.211000      ?             ?      
1 1 1 10 31 55 o 1.467000       1.268000      ?             ?      
1 1 1 10 31 56 o 3.643000       1.204000      ?             ?      
1 1 1 10 31 57 o 4.786000       1.217000      ?             ?      
1 1 1 10 31 58 o -0.5789000     1.179000      ?             ?      
1 1 1 10 31 59 o 3.602000       1.218000      ?             ?      
1 1 1 10 31 60 o -0.2667000E-01 1.214000      ?             ?      
1 1 1 10 31 61 o -0.8170000     1.232000      ?             ?      
1 1 1 10 31 62 o 5.509000       1.300000      ?             ?      
1 1 1 10 31 63 o -1.791000      1.704000      ?             ?      
1 1 1 10 31 64 o 1.766000       1.982000      ?             ?      
1 1 1 10 31 65 o 0.1019000      1.686000      ?             ?      
1 1 1 10 31 66 o -0.7697000E-01 2.157000      ?             ?      
1 1 1 10 31 67 o 0.5427000E-01  1.311000      ?             ?      
1 1 1 10 32 0  o 1.048000       1.070000      123.2355      180.0  
1 1 1 10 32 1  o -0.9860000     0.8076000     204.1912      -73.1  
1 1 1 10 32 2  o 1.923000       0.8769000     60.31962      173.7  
1 1 1 10 32 3  o 4.596000       0.8872000     136.2505      -178.2 
1 1 1 10 32 4  o 2.539000       0.8524000     97.21920      -116.4 
1 1 1 10 32 5  o 1.372000       0.7824000     201.9693      10.6   
1 1 1 10 32 6  o 3.297000       0.8131000     89.17356      161.0  
1 1 1 10 32 7  o 2.271000       0.9333000     228.5904      57.5   
1 1 1 10 32 8  o -1.357000      1.011000      139.8950      -11.8  
1 1 1 10 32 9  o 1.821000       1.069000      85.08023      -40.6  
1 1 1 10 32 10 o 0.4662000      1.009000      82.46429      -106.9 
1 1 1 10 32 11 o 10.85000       1.224000      207.0764      114.8  
1 1 1 10 32 12 o 0.5277000      0.9889000     52.30486      -72.7  
1 1 1 10 32 13 o 1.904000       1.036000      105.6585      17.7   
1 1 1 10 32 14 o 1.073000       1.060000      236.4748      160.6  
1 1 1 10 32 15 o -0.7651000     1.388000      175.0562      16.1   
1 1 1 10 32 16 o -0.4518000     1.114000      85.06767      -26.3  
1 1 1 10 32 17 o 6.034000       1.663000      278.0208      -105.2 
1 1 1 10 32 18 o 8.377000       1.738000      237.7745      150.4  
1 1 1 10 32 19 o 3.516000       0.8290000     33.44060      156.8  
1 1 1 10 32 20 o 4.691000       1.158000      100.5417      174.7  
1 1 1 10 32 21 o 5.640000       1.390000      190.3147      1.5    
1 1 1 10 32 22 o 2.494000       1.164000      196.2980      -5.9   
1 1 1 10 32 23 o 3.489000       1.160000      235.1978      -70.9  
1 1 1 10 32 24 o -0.4522000     1.008000      126.0102      -124.1 
1 1 1 10 32 25 o 1.336000       1.019000      196.8165      79.2   
1 1 1 10 32 26 o 0.4256000      0.7983000     71.73835      41.1   
1 1 1 10 32 27 o -0.3427000     0.7758000     69.47952      45.3   
1 1 1 10 32 28 o 1.979000       0.7965000     157.1689      -50.1  
1 1 1 10 32 29 o 2.144000       0.8170000     73.84623      -157.8 
1 1 1 10 32 30 o 2.839000       0.9000000     171.9293      -121.2 
1 1 1 10 32 31 o 1.357000       1.066000      62.13585      -41.3  
1 1 1 10 32 32 o 3.077000       1.062000      145.5417      137.9  
1 1 1 10 32 33 o 1.082000       1.214000      103.9859      17.6   
1 1 1 10 32 34 o -0.2588000     1.017000      137.2039      -120.7 
1 1 1 10 32 35 o -0.7395000     0.9506000     75.03854      -60.8  
1 1 1 10 32 36 o 0.7436000      1.004000      167.2541      -106.8 
1 1 1 10 32 37 o 0.4175000      1.019000      88.26938      17.6   
1 1 1 10 32 38 o 1.530000       0.9970000     68.75352      -15.4  
1 1 1 10 32 39 o 0.6199000      1.086000      169.3668      85.8   
1 1 1 10 32 40 o 6.133000       1.274000      115.6155      -51.5  
1 1 1 10 32 41 o 13.61000       1.392000      261.2847      -90.2  
1 1 1 10 32 42 o 3.458000       1.154000      93.37740      -138.3 
1 1 1 10 32 43 o 0.3136000      1.120000      81.17980      177.1  
1 1 1 10 32 44 o 3.879000       1.221000      195.8874      75.0   
1 1 1 10 32 45 o 0.9665000      1.353000      172.2934      -172.3 
1 1 1 10 32 46 o 9.870000       1.486000      325.0729      94.2   
1 1 1 10 32 47 o 11.68000       1.906000      370.9303      23.7   
1 1 1 10 32 48 o -4.167000      1.653000      37.47026      -174.6 
1 1 1 10 32 49 o 1.589000       2.211000      ?             ?      
1 1 1 10 32 50 o 2.204000       2.621000      ?             ?      
1 1 1 10 32 51 o -1.041000      1.529000      ?             ?      
1 1 1 10 32 52 o 0.3155000      1.181000      ?             ?      
1 1 1 10 32 53 o 0.3918000      1.166000      ?             ?      
1 1 1 10 32 54 o -1.024000      1.172000      ?             ?      
1 1 1 10 32 55 o 4.534000       1.206000      ?             ?      
1 1 1 10 32 56 o 2.342000       1.188000      ?             ?      
1 1 1 10 32 57 o 3.594000       1.207000      ?             ?      
1 1 1 10 32 58 o 2.142000       1.202000      ?             ?      
1 1 1 10 32 59 o -1.526000      1.199000      ?             ?      
1 1 1 10 32 60 o 0.6560000      1.213000      ?             ?      
1 1 1 10 32 61 o 3.444000       1.406000      ?             ?      
1 1 1 10 32 62 o 0.4146000      1.239000      ?             ?      
1 1 1 10 32 63 o 1.241000       1.587000      ?             ?      
1 1 1 10 32 64 o 1.938000       1.787000      ?             ?      
1 1 1 10 32 65 f 1.710000       1.674000      ?             ?      
1 1 1 10 32 66 o 0.8228000      1.589000      ?             ?      
1 1 1 10 33 0  o 0.1106000      1.037000      87.53803      0.0    
1 1 1 10 33 1  o 0.5331000      0.7571000     93.84352      -73.3  
1 1 1 10 33 2  o 2.804000       0.8196000     92.47207      -30.3  
1 1 1 10 33 3  o 1.544000       0.8808000     50.47742      -134.5 
1 1 1 10 33 4  o 3.650000       0.8304000     45.84518      -114.5 
1 1 1 10 33 5  o 1.185000       0.7600000     129.8679      92.6   
1 1 1 10 33 6  o 2.582000       0.7703000     206.5204      4.2    
1 1 1 10 33 7  o 0.2205000      0.9159000     148.9034      -177.2 
1 1 1 10 33 8  o 6.021000       0.9771000     353.6638      118.6  
1 1 1 10 33 9  o 2.273000       1.034000      67.31338      -151.0 
1 1 1 10 33 10 o 15.53000       1.308000      469.2721      -116.6 
1 1 1 10 33 11 o -1.839000      0.9767000     150.8103      -87.6  
1 1 1 10 33 12 o 0.7280000      0.9520000     175.8915      -162.9 
1 1 1 10 33 13 o 2.652000       0.9556000     340.5773      -168.2 
1 1 1 10 33 14 o 5.028000       1.400000      142.4596      63.9   
1 1 1 10 33 15 o 2.825000       1.392000      131.3853      -143.6 
1 1 1 10 33 16 o 2.825000       1.104000      269.0669      -26.2  
1 1 1 10 33 17 o 8.276000       1.712000      303.2968      -77.4  
1 1 1 10 33 18 o 5.210000       1.137000      194.6507      -179.5 
1 1 1 10 33 19 o 3.685000       1.081000      163.0687      91.3   
1 1 1 10 33 20 o 4.657000       1.096000      183.1375      171.8  
1 1 1 10 33 21 o 0.9471000      1.104000      27.82531      -125.4 
1 1 1 10 33 22 o -0.5177000     1.133000      137.7847      -39.8  
1 1 1 10 33 23 o 5.044000       1.218000      190.1684      92.8   
1 1 1 10 33 24 o 1.629000       1.168000      121.7785      -147.2 
1 1 1 10 33 25 o -0.8934000     0.9919000     68.54157      167.0  
1 1 1 10 33 26 o 3.231000       1.026000      146.7731      55.2   
1 1 1 10 33 27 o 0.7649000      0.7720000     132.1031      90.1   
1 1 1 10 33 28 o -1.060000      0.7568000     60.10908      -150.7 
1 1 1 10 33 29 o 1.209000       0.7720000     68.54131      -91.2  
1 1 1 10 33 30 o -1.058000      0.7889000     55.58502      24.4   
1 1 1 10 33 31 o 0.2905000      0.8812000     73.02894      -138.1 
1 1 1 10 33 32 o 0.7860000      1.187000      124.6298      -53.3  
1 1 1 10 33 33 o 3.135000       1.229000      118.0547      -17.1  
1 1 1 10 33 34 o -0.6998000     1.012000      23.87211      0.3    
1 1 1 10 33 35 o 1.223000       0.9521000     35.77130      -97.4  
1 1 1 10 33 36 o 6.324000       0.9802000     161.1942      166.6  
1 1 1 10 33 37 o 3.583000       0.9872000     238.4490      -21.8  
1 1 1 10 33 38 o -0.1089000     0.9939000     162.8461      15.6   
1 1 1 10 33 39 o 3.287000       1.119000      90.29987      -145.2 
1 1 1 10 33 40 o 0.1038000      1.122000      37.27941      84.6   
1 1 1 10 33 41 o 0.2933000      1.086000      139.2893      47.3   
1 1 1 10 33 42 o 2.645000       1.169000      224.2506      -110.9 
1 1 1 10 33 43 o 2.013000       1.727000      157.9915      -49.8  
1 1 1 10 33 44 o -0.2039000     1.298000      90.91232      -161.5 
1 1 1 10 33 45 o 5.647000       1.455000      222.0710      -176.1 
1 1 1 10 33 46 o -2.173000      1.312000      18.01692      80.5   
1 1 1 10 33 47 o -0.8086000     1.519000      139.8515      -108.4 
1 1 1 10 33 48 o 2.336000       1.606000      ?             ?      
1 1 1 10 33 49 o 8.532000       1.780000      ?             ?      
1 1 1 10 33 50 o 1.248000       1.591000      ?             ?      
1 1 1 10 33 51 o 0.9823000      1.483000      ?             ?      
1 1 1 10 33 52 o 4.217000       1.470000      ?             ?      
1 1 1 10 33 53 o 1.803000       1.162000      ?             ?      
1 1 1 10 33 54 o 10.07000       1.276000      ?             ?      
1 1 1 10 33 55 o 0.9598000      1.170000      ?             ?      
1 1 1 10 33 56 o 0.5983000      1.155000      ?             ?      
1 1 1 10 33 57 o -0.7725000E-01 1.176000      ?             ?      
1 1 1 10 33 58 o 2.052000       1.198000      ?             ?      
1 1 1 10 33 59 o -0.1936000     1.205000      ?             ?      
1 1 1 10 33 60 o 1.787000       1.224000      ?             ?      
1 1 1 10 33 61 o 1.586000       1.226000      ?             ?      
1 1 1 10 33 62 o 3.667000       1.374000      ?             ?      
1 1 1 10 33 63 o 3.324000       1.603000      ?             ?      
1 1 1 10 33 64 o -1.216000      2.484000      ?             ?      
1 1 1 10 33 65 o 3.681000       1.419000      ?             ?      
1 1 1 10 33 66 o -0.2282000     2.546000      ?             ?      
1 1 1 10 34 0  o 3.519000       1.054000      211.3796      -0.0   
1 1 1 10 34 1  f 1.109000       0.7497000     43.10828      40.4   
1 1 1 10 34 2  o -0.6291000     0.7871000     128.0285      45.5   
1 1 1 10 34 3  o 4.071000       0.8728000     84.84428      32.7   
1 1 1 10 34 4  o 0.3698000      0.7976000     99.38090      13.5   
1 1 1 10 34 5  o 2.773000       0.7463000     59.50927      -42.4  
1 1 1 10 34 6  o -0.4768000     0.7436000     170.6669      85.9   
1 1 1 10 34 7  o 0.5798000      0.7794000     204.3068      137.7  
1 1 1 10 34 8  o 0.8856000      0.9062000     234.8608      -117.2 
1 1 1 10 34 9  o 2.085000       0.9997000     288.4065      -160.2 
1 1 1 10 34 10 o -0.6549000     1.002000      56.76356      25.3   
1 1 1 10 34 11 o 0.6181000      0.9116000     182.2388      -83.0  
1 1 1 10 34 12 o -0.9390000     0.9163000     224.4385      -165.7 
1 1 1 10 34 13 o 3.130000       1.086000      264.5052      111.1  
1 1 1 10 34 14 o 0.6096000      1.328000      193.3589      2.8    
1 1 1 10 34 15 o 2.011000       1.050000      152.6028      98.6   
1 1 1 10 34 16 o 0.8706000      1.512000      137.0498      47.2   
1 1 1 10 34 17 o 3.631000       1.515000      257.0809      -143.8 
1 1 1 10 34 18 o 1.577000       1.049000      175.0973      -59.2  
1 1 1 10 34 19 o 3.744000       1.070000      165.5302      -159.2 
1 1 1 10 34 20 o 0.7392000      1.055000      73.36858      154.1  
1 1 1 10 34 21 o 2.039000       1.070000      198.6223      41.1   
1 1 1 10 34 22 o 2.987000       1.099000      272.7383      -161.9 
1 1 1 10 34 23 o 0.7590000      1.126000      154.0596      -50.8  
1 1 1 10 34 24 o 3.907000       1.133000      226.8071      -126.6 
1 1 1 10 34 25 o 2.127000       1.170000      156.9798      121.4  
1 1 1 10 34 26 o 0.7966000      1.015000      128.0470      76.7   
1 1 1 10 34 27 o 2.780000       1.038000      52.61863      -14.8  
1 1 1 10 34 28 o 2.860000       0.7821000     68.39120      97.0   
1 1 1 10 34 29 o 5.318000       0.7717000     188.5958      -147.7 
1 1 1 10 34 30 o 1.150000       0.7718000     102.7995      -56.6  
1 1 1 10 34 31 o 3.320000       0.7975000     156.6885      124.6  
1 1 1 10 34 32 o 3.425000       0.9403000     231.9210      -3.7   
1 1 1 10 34 33 o 0.9715000      1.264000      61.05693      -72.6  
1 1 1 10 34 34 o 1.360000       1.172000      161.2851      -159.6 
1 1 1 10 34 35 o 2.517000       0.9217000     89.32474      -13.9  
1 1 1 10 34 36 o 1.432000       0.9593000     174.5539      -65.0  
1 1 1 10 34 37 o 2.417000       0.9986000     182.7738      -118.9 
1 1 1 10 34 38 o 1.968000       1.018000      176.1050      -70.6  
1 1 1 10 34 39 o 11.43000       1.114000      211.8042      -94.5  
1 1 1 10 34 40 o 6.553000       1.275000      358.5412      -100.9 
1 1 1 10 34 41 o -0.7668000     1.236000      72.93829      100.5  
1 1 1 10 34 42 o 2.192000       1.147000      302.8904      63.2   
1 1 1 10 34 43 f -0.7119000     1.476000      93.11593      -164.7 
1 1 1 10 34 44 o -0.2734000     1.227000      105.8062      -99.6  
1 1 1 10 34 45 o 4.242000       1.212000      209.3189      -46.9  
1 1 1 10 34 46 o 7.926000       1.519000      353.6453      33.8   
1 1 1 10 34 47 o 6.666000       1.706000      ?             ?      
1 1 1 10 34 48 o 3.226000       1.785000      ?             ?      
1 1 1 10 34 49 o 3.273000       1.490000      ?             ?      
1 1 1 10 34 50 o 0.4654000      1.259000      ?             ?      
1 1 1 10 34 51 o 4.458000       1.459000      ?             ?      
1 1 1 10 34 52 o -0.9401000     1.562000      ?             ?      
1 1 1 10 34 53 o 2.412000       1.168000      ?             ?      
1 1 1 10 34 54 o 1.568000       1.160000      ?             ?      
1 1 1 10 34 55 o -0.7212000     1.129000      ?             ?      
1 1 1 10 34 56 o 2.027000       1.159000      ?             ?      
1 1 1 10 34 57 o 2.095000       1.170000      ?             ?      
1 1 1 10 34 58 o 1.446000       1.183000      ?             ?      
1 1 1 10 34 59 o 3.889000       1.203000      ?             ?      
1 1 1 10 34 60 o 0.7318000      1.208000      ?             ?      
1 1 1 10 34 61 o 2.102000       1.233000      ?             ?      
1 1 1 10 34 62 o 2.460000       1.384000      ?             ?      
1 1 1 10 34 63 o 1.826000       1.412000      ?             ?      
1 1 1 10 34 64 o 3.100000       1.427000      ?             ?      
1 1 1 10 34 65 o 1.251000       1.546000      ?             ?      
1 1 1 10 35 0  o 4.535000       1.074000      170.6956      -180.0 
1 1 1 10 35 1  o 5.974000       0.7802000     392.7184      162.6  
1 1 1 10 35 2  o 0.9446000      0.7853000     207.0491      161.3  
1 1 1 10 35 3  o 8.739000       0.9139000     438.3148      12.3   
1 1 1 10 35 4  o 12.03000       0.8822000     326.6169      -71.8  
1 1 1 10 35 5  o 0.5745000      0.7458000     149.1893      -72.7  
1 1 1 10 35 6  o 1.991000       0.7604000     247.4636      -51.9  
1 1 1 10 35 7  o 8.404000       0.8853000     363.4336      27.6   
1 1 1 10 35 8  o 2.547000       0.8987000     232.1687      -82.0  
1 1 1 10 35 9  o -0.3735000     0.9201000     270.2915      -142.4 
1 1 1 10 35 10 o 3.723000       0.9891000     230.1078      -8.0   
1 1 1 10 35 11 o 1.199000       0.9094000     49.28957      -53.5  
1 1 1 10 35 12 o 0.1652000      0.9294000     63.40021      -63.5  
1 1 1 10 35 13 o 9.325000       1.164000      327.8280      164.3  
1 1 1 10 35 14 o 3.637000       1.373000      179.7583      -63.9  
1 1 1 10 35 15 o 0.6073000      1.026000      173.7496      -121.0 
1 1 1 10 35 16 o 8.303000       1.554000      330.4826      -59.4  
1 1 1 10 35 17 o 2.822000       1.478000      135.5367      105.3  
1 1 1 10 35 18 o 9.564000       1.099000      213.1930      119.1  
1 1 1 10 35 19 o 5.566000       1.060000      168.6289      -152.7 
1 1 1 10 35 20 o 1.431000       1.046000      117.9344      97.7   
1 1 1 10 35 21 o -0.8521000     1.027000      125.2178      -72.8  
1 1 1 10 35 22 o 0.2457000      1.048000      87.14186      126.6  
1 1 1 10 35 23 o 11.63000       1.233000      374.3842      -34.6  
1 1 1 10 35 24 o 7.041000       1.197000      385.0286      -59.6  
1 1 1 10 35 25 o 18.41000       1.406000      581.2183      62.6   
1 1 1 10 35 26 o 2.249000       0.9885000     71.68060      2.3    
1 1 1 10 35 27 o 1.700000       1.049000      158.3491      -104.1 
1 1 1 10 35 28 o -0.1998000     1.032000      7.316856      -7.9   
1 1 1 10 35 29 f 0.6311000      0.7718000     224.4549      -9.3   
1 1 1 10 35 30 o 0.8909000      0.7433000     210.9662      -40.9  
1 1 1 10 35 31 o 1.681000       0.8002000     193.8771      -53.4  
1 1 1 10 35 32 o 1.110000       0.8794000     179.7796      -32.7  
1 1 1 10 35 33 o 1.123000       1.108000      181.3649      115.7  
1 1 1 10 35 34 o 11.25000       1.265000      395.1461      53.3   
1 1 1 10 35 35 o 4.775000       1.413000      81.25377      -45.9  
1 1 1 10 35 36 o 4.419000       0.9717000     268.5966      70.8   
1 1 1 10 35 37 o 26.34000       1.335000      680.6541      -24.9  
1 1 1 10 35 38 o 1.302000       1.188000      168.1742      -57.0  
1 1 1 10 35 39 o 3.465000       1.200000      176.8766      19.1   
1 1 1 10 35 40 o 1.198000       1.215000      179.1158      -125.9 
1 1 1 10 35 41 o 9.103000       1.573000      343.7422      -170.2 
1 1 1 10 35 42 o 2.906000       1.230000      239.5824      -56.4  
1 1 1 10 35 43 o 3.520000       1.242000      297.4765      35.7   
1 1 1 10 35 44 o -0.4220000     1.251000      98.35934      34.7   
1 1 1 10 35 45 o 7.669000       1.279000      409.2491      -131.9 
1 1 1 10 35 46 o 7.503000       1.265000      ?             ?      
1 1 1 10 35 47 o 4.037000       1.261000      ?             ?      
1 1 1 10 35 48 o 0.7519000E-01  1.403000      ?             ?      
1 1 1 10 35 49 o 3.627000       1.647000      ?             ?      
1 1 1 10 35 50 f 11.43000       1.455000      ?             ?      
1 1 1 10 35 51 o -1.746000      1.318000      ?             ?      
1 1 1 10 35 52 o 3.827000       1.432000      ?             ?      
1 1 1 10 35 53 o 0.3721000      1.349000      ?             ?      
1 1 1 10 35 54 o 7.960000       1.268000      ?             ?      
1 1 1 10 35 55 o -0.1215000E-01 1.207000      ?             ?      
1 1 1 10 35 56 o 0.5090000      1.153000      ?             ?      
1 1 1 10 35 57 o 5.166000       1.193000      ?             ?      
1 1 1 10 35 58 o 1.688000       1.272000      ?             ?      
1 1 1 10 35 59 o 3.842000       1.212000      ?             ?      
1 1 1 10 35 60 o 0.9380000      1.203000      ?             ?      
1 1 1 10 35 61 o 3.199000       1.353000      ?             ?      
1 1 1 10 35 62 o -0.6303000     1.492000      ?             ?      
1 1 1 10 35 63 o -0.1550000     1.315000      ?             ?      
1 1 1 10 35 64 o 1.744000       1.272000      ?             ?      
1 1 1 10 36 0  o 75.83000       2.958000      1322.267      -0.0   
1 1 1 10 36 1  o 8.728000       0.8133000     320.0424      21.2   
1 1 1 10 36 2  o 26.51000       0.9981000     782.1232      176.3  
1 1 1 10 36 3  o 3.850000       0.8247000     260.5591      101.3  
1 1 1 10 36 4  o 0.2002000      0.8401000     241.4678      18.3   
1 1 1 10 36 5  o 2.829000       0.8057000     135.1045      8.8    
1 1 1 10 36 6  o 1.981000       0.7594000     24.27152      -39.2  
1 1 1 10 36 7  o -0.5060000     0.7749000     185.5481      115.9  
1 1 1 10 36 8  o 14.60000       1.128000      675.7436      177.6  
1 1 1 10 36 9  o 7.421000       0.9609000     432.3207      21.6   
1 1 1 10 36 10 o 7.232000       1.034000      292.6501      -18.2  
1 1 1 10 36 11 o 6.376000       0.9462000     274.8647      56.7   
1 1 1 10 36 12 o 13.45000       1.037000      343.6214      1.8    
1 1 1 10 36 13 o -0.3785000     1.091000      196.9808      77.8   
1 1 1 10 36 14 o 2.322000       1.064000      228.7559      18.7   
1 1 1 10 36 15 o 14.81000       1.605000      487.8928      27.8   
1 1 1 10 36 16 o 3.396000       1.471000      312.2192      -135.0 
1 1 1 10 36 17 o 3.931000       1.027000      253.8426      -165.3 
1 1 1 10 36 18 o 8.951000       1.091000      489.6083      75.7   
1 1 1 10 36 19 o 2.257000       1.052000      284.0731      -174.3 
1 1 1 10 36 20 o 11.06000       1.138000      461.4417      -84.2  
1 1 1 10 36 21 o 6.831000       1.087000      299.1492      175.6  
1 1 1 10 36 22 o 1.625000       1.054000      144.7627      18.1   
1 1 1 10 36 23 o 9.076000       1.135000      481.7045      57.0   
1 1 1 10 36 24 o 17.43000       1.420000      671.3924      127.3  
1 1 1 10 36 25 o 10.60000       1.439000      530.6619      119.6  
1 1 1 10 36 26 o 10.38000       1.288000      413.3447      104.1  
1 1 1 10 36 27 o 14.84000       1.180000      543.6940      80.6   
1 1 1 10 36 28 o 2.085000       1.033000      253.3947      120.7  
1 1 1 10 36 29 o 0.7733000      0.9435000     89.81637      57.4   
1 1 1 10 36 30 o 3.732000       0.7703000     249.6360      47.9   
1 1 1 10 36 31 o 1.592000       0.8750000     277.0647      159.4  
1 1 1 10 36 32 o 2.078000       0.9000000     179.5297      -36.3  
1 1 1 10 36 33 o 2.974000       0.8604000     137.7775      76.6   
1 1 1 10 36 34 o 4.150000       0.9641000     276.5921      134.8  
1 1 1 10 36 35 o 0.3617000      1.067000      126.5005      -162.8 
1 1 1 10 36 36 o 0.6223000      1.050000      203.2519      -13.4  
1 1 1 10 36 37 o 0.1337000      0.9886000     76.45551      157.9  
1 1 1 10 36 38 o 1.773000       1.166000      83.67920      91.1   
1 1 1 10 36 39 o -0.5483000     1.463000      288.4628      -109.0 
1 1 1 10 36 40 o 4.730000       1.185000      273.9986      -9.3   
1 1 1 10 36 41 o -0.4774000     1.178000      178.5689      13.1   
1 1 1 10 36 42 o 3.844000       1.110000      222.4353      152.6  
1 1 1 10 36 43 o 1.361000       1.106000      149.7127      145.5  
1 1 1 10 36 44 o 22.51000       1.314000      575.5331      -29.9  
1 1 1 10 36 45 o -0.3501000     1.132000      ?             ?      
1 1 1 10 36 46 o 5.835000       1.181000      ?             ?      
1 1 1 10 36 47 o 1.672000       1.225000      ?             ?      
1 1 1 10 36 48 o 3.937000       1.414000      ?             ?      
1 1 1 10 36 49 o -1.316000      1.445000      ?             ?      
1 1 1 10 36 50 o 2.866000       1.371000      ?             ?      
1 1 1 10 36 51 o 0.3294000      1.112000      ?             ?      
1 1 1 10 36 52 o 3.370000       1.324000      ?             ?      
1 1 1 10 36 53 o 0.7815000      1.661000      ?             ?      
1 1 1 10 36 54 o 4.721000       1.619000      ?             ?      
1 1 1 10 36 55 o 2.867000       1.154000      ?             ?      
1 1 1 10 36 56 o -0.4400000E-01 1.161000      ?             ?      
1 1 1 10 36 57 o 0.4492000      1.230000      ?             ?      
1 1 1 10 36 58 o 3.729000       1.270000      ?             ?      
1 1 1 10 36 59 o 0.2733000      1.182000      ?             ?      
1 1 1 10 36 60 o 4.135000       1.259000      ?             ?      
1 1 1 10 36 61 o -1.614000      1.325000      ?             ?      
1 1 1 10 36 62 o 2.839000       1.389000      ?             ?      
1 1 1 10 36 63 o 5.159000       1.291000      ?             ?      
1 1 1 10 37 0  o 0.9677000      1.089000      484.9527      180.0  
1 1 1 10 37 1  o 8.859000       0.7915000     402.3595      38.6   
1 1 1 10 37 2  o 9.118000       0.8525000     409.4464      -99.4  
1 1 1 10 37 3  o 26.18000       1.078000      702.7598      -38.5  
1 1 1 10 37 4  o 11.56000       0.9269000     501.0623      -163.7 
1 1 1 10 37 5  o 2.253000       0.7949000     209.8797      46.8   
1 1 1 10 37 6  o 10.58000       0.8134000     364.7292      79.9   
1 1 1 10 37 7  o 23.85000       0.9541000     600.8693      14.9   
1 1 1 10 37 8  o 0.4544000      0.7641000     112.1351      175.5  
1 1 1 10 37 9  o 12.32000       0.9868000     458.1455      103.6  
1 1 1 10 37 10 o 0.4845000      0.9856000     290.0673      150.6  
1 1 1 10 37 11 o 4.893000       0.9362000     339.2351      1.8    
1 1 1 10 37 12 o 8.826000       1.177000      392.3020      125.0  
1 1 1 10 37 13 o 7.652000       0.9979000     525.1301      100.3  
1 1 1 10 37 14 o 4.994000       1.082000      257.3444      -76.7  
1 1 1 10 37 15 o 3.034000       1.475000      150.6756      73.8   
1 1 1 10 37 16 o 6.640000       1.488000      505.6379      113.8  
1 1 1 10 37 17 o 1.411000       1.017000      80.83735      -103.2 
1 1 1 10 37 18 o 0.5815000      1.037000      241.5171      155.0  
1 1 1 10 37 19 o 28.08000       1.346000      719.4550      37.8   
1 1 1 10 37 20 o 2.706000       1.046000      161.6149      -93.8  
1 1 1 10 37 21 o -0.5407000     1.029000      161.4437      77.8   
1 1 1 10 37 22 o 24.04000       1.443000      679.9177      -128.7 
1 1 1 10 37 23 o 25.09000       1.343000      742.7549      -75.3  
1 1 1 10 37 24 o 5.114000       1.142000      430.1332      105.2  
1 1 1 10 37 25 o 10.71000       1.265000      421.6794      -143.3 
1 1 1 10 37 26 o 20.61000       1.426000      572.1102      -151.8 
1 1 1 10 37 27 o 2.928000       1.216000      303.9362      108.0  
1 1 1 10 37 28 o 2.271000       0.9684000     407.7730      -166.5 
1 1 1 10 37 29 o 1.711000       0.9457000     316.6928      42.7   
1 1 1 10 37 30 o 5.535000       1.063000      266.7071      -98.0  
1 1 1 10 37 31 o 3.945000       0.8774000     259.2001      -17.7  
1 1 1 10 37 32 o 0.5293000      0.8866000     291.2256      65.7   
1 1 1 10 37 33 o 3.652000       1.072000      299.3320      25.1   
1 1 1 10 37 34 o 5.920000       1.025000      371.1340      85.1   
1 1 1 10 37 35 o 5.491000       1.109000      217.3501      -57.7  
1 1 1 10 37 36 o 7.508000       1.171000      394.2528      -68.6  
1 1 1 10 37 37 o -1.220000      1.185000      32.89361      -73.1  
1 1 1 10 37 38 o 1.977000       1.007000      207.0944      142.1  
1 1 1 10 37 39 o 2.002000       1.170000      170.7545      -29.7  
1 1 1 10 37 40 o 2.605000       1.055000      211.7217      -167.2 
1 1 1 10 37 41 o 1.365000       1.063000      27.08579      -96.8  
1 1 1 10 37 42 o 6.474000       1.088000      279.0582      -52.7  
1 1 1 10 37 43 o 3.393000       1.086000      205.3083      -65.0  
1 1 1 10 37 44 o 3.437000       1.113000      ?             ?      
1 1 1 10 37 45 o 1.113000       1.112000      ?             ?      
1 1 1 10 37 46 o 1.561000       1.197000      ?             ?      
1 1 1 10 37 47 o 2.989000       1.290000      ?             ?      
1 1 1 10 37 48 o 0.3970000      1.137000      ?             ?      
1 1 1 10 37 49 o 0.3099000      1.226000      ?             ?      
1 1 1 10 37 50 o 0.6204000      1.312000      ?             ?      
1 1 1 10 37 51 o 0.4487000E-01  1.201000      ?             ?      
1 1 1 10 37 52 o 4.418000       1.195000      ?             ?      
1 1 1 10 37 53 o 0.7898000      1.420000      ?             ?      
1 1 1 10 37 54 o 1.457000       1.423000      ?             ?      
1 1 1 10 37 55 o 0.7297000      1.379000      ?             ?      
1 1 1 10 37 56 o 2.010000       1.254000      ?             ?      
1 1 1 10 37 57 o 0.3387000      1.267000      ?             ?      
1 1 1 10 37 58 o 0.9217000      1.217000      ?             ?      
1 1 1 10 37 59 o -1.142000      1.182000      ?             ?      
1 1 1 10 37 60 o 0.8565000      1.314000      ?             ?      
1 1 1 10 37 61 o -2.080000      1.465000      ?             ?      
1 1 1 10 37 62 f 0.2713000E-01  1.367000      ?             ?      
1 1 1 10 37 63 o 4.083000       1.267000      ?             ?      
1 1 1 10 38 0  o 19.93000       1.258000      629.8845      0.0    
1 1 1 10 38 1  o 7.938000       0.7763000     406.4588      142.6  
1 1 1 10 38 2  o 15.61000       0.8456000     473.3385      85.6   
1 1 1 10 38 3  o 0.8537000      0.8138000     248.8855      66.8   
1 1 1 10 38 4  o 14.30000       0.9762000     620.5052      -177.2 
1 1 1 10 38 5  o 45.20000       1.372000      936.1012      -86.7  
1 1 1 10 38 6  o 12.02000       0.8392000     523.7504      54.9   
1 1 1 10 38 7  o 6.033000       0.7843000     522.5649      147.8  
1 1 1 10 38 8  o 3.921000       0.7655000     207.2402      128.7  
1 1 1 10 38 9  o -0.4430000     0.9244000     70.20898      18.3   
1 1 1 10 38 10 o 0.2197000      0.9417000     36.42291      131.6  
1 1 1 10 38 11 o 0.7943000E-01  1.045000      222.7944      -169.8 
1 1 1 10 38 12 o 16.09000       1.288000      571.6826      -110.3 
1 1 1 10 38 13 o 1.605000       0.9411000     47.61908      86.8   
1 1 1 10 38 14 o 15.04000       1.657000      433.8766      179.6  
1 1 1 10 38 15 o 4.925000       1.472000      301.6529      -37.4  
1 1 1 10 38 16 o 12.12000       1.136000      484.9204      126.5  
1 1 1 10 38 17 o 4.870000       1.054000      299.9576      -105.2 
1 1 1 10 38 18 o -0.3975000     1.032000      83.91808      -153.6 
1 1 1 10 38 19 o 9.208000       1.098000      344.6347      177.6  
1 1 1 10 38 20 o 6.602000       1.087000      394.8373      -21.0  
1 1 1 10 38 21 o 10.57000       1.124000      393.7166      -38.1  
1 1 1 10 38 22 o 0.5905000      1.075000      207.7571      110.9  
1 1 1 10 38 23 o 5.721000       1.132000      462.8508      -42.1  
1 1 1 10 38 24 o 7.043000       1.171000      444.3868      -159.8 
1 1 1 10 38 25 o 17.25000       1.288000      625.7789      84.1   
1 1 1 10 38 26 o 2.846000       1.200000      230.0274      76.5   
1 1 1 10 38 27 o 13.81000       1.352000      439.9401      -86.7  
1 1 1 10 38 28 o 9.793000       1.310000      428.1477      149.4  
1 1 1 10 38 29 o 2.245000       1.128000      154.8262      26.2   
1 1 1 10 38 30 o 6.809000       1.232000      478.4679      -176.0 
1 1 1 10 38 31 o 1.566000       1.129000      278.9829      74.3   
1 1 1 10 38 32 o 0.9520000      1.130000      99.91518      -161.1 
1 1 1 10 38 33 o 0.2646000E-01  1.044000      194.0605      -113.8 
1 1 1 10 38 34 o 0.5399000      1.103000      265.2927      9.5    
1 1 1 10 38 35 o 1.216000       0.9306000     188.3109      151.3  
1 1 1 10 38 36 o 2.287000       1.112000      250.2717      -1.8   
1 1 1 10 38 37 o -0.5355000     1.597000      195.5618      -143.5 
1 1 1 10 38 38 o 8.585000       1.204000      501.7321      -120.9 
1 1 1 10 38 39 o 1.005000       1.022000      82.12136      -13.3  
1 1 1 10 38 40 o 3.571000       1.062000      300.1325      -14.5  
1 1 1 10 38 41 o 2.691000       1.075000      246.4996      51.5   
1 1 1 10 38 42 o 5.344000       1.086000      297.3119      85.1   
1 1 1 10 38 43 o -0.8282000     1.073000      ?             ?      
1 1 1 10 38 44 o 5.113000       1.095000      ?             ?      
1 1 1 10 38 45 o 0.1529000      1.101000      ?             ?      
1 1 1 10 38 46 o 2.497000       1.259000      ?             ?      
1 1 1 10 38 47 o 1.407000       1.186000      ?             ?      
1 1 1 10 38 48 o -1.503000      1.077000      ?             ?      
1 1 1 10 38 49 o 0.5113000      1.083000      ?             ?      
1 1 1 10 38 50 o -0.7721000     1.207000      ?             ?      
1 1 1 10 38 51 o 3.408000       1.351000      ?             ?      
1 1 1 10 38 52 o 2.317000       1.199000      ?             ?      
1 1 1 10 38 53 o 0.3474000      1.229000      ?             ?      
1 1 1 10 38 54 o 1.769000       1.271000      ?             ?      
1 1 1 10 38 55 o -3.984000      1.561000      ?             ?      
1 1 1 10 38 56 o -2.292000      1.222000      ?             ?      
1 1 1 10 38 57 o -1.584000      1.150000      ?             ?      
1 1 1 10 38 58 o 0.7942000      1.220000      ?             ?      
1 1 1 10 38 59 o -1.318000      1.294000      ?             ?      
1 1 1 10 38 60 o 3.003000       1.536000      ?             ?      
1 1 1 10 38 62 o 0.1191000      1.238000      ?             ?      
1 1 1 10 39 0  o -1.066000      1.054000      49.75618      -180.0 
1 1 1 10 39 1  o 15.37000       0.8691000     609.4532      -100.8 
1 1 1 10 39 2  o 17.90000       0.8811000     625.2919      -88.1  
1 1 1 10 39 3  o 19.13000       0.9725000     628.5818      -36.0  
1 1 1 10 39 4  o 4.130000       0.8717000     374.0197      118.8  
1 1 1 10 39 5  o 0.3269000E-01  0.8028000     209.3421      49.0   
1 1 1 10 39 6  o 13.05000       0.8504000     570.6693      29.9   
1 1 1 10 39 7  o 4.796000       0.7762000     180.6375      124.5  
1 1 1 10 39 8  o 8.484000       0.8007000     371.0709      -167.9 
1 1 1 10 39 9  o 5.491000       0.8128000     352.5054      142.7  
1 1 1 10 39 10 o 42.43000       1.541000      885.5984      -132.8 
1 1 1 10 39 11 o 19.38000       1.260000      482.7848      42.6   
1 1 1 10 39 12 o 15.88000       1.284000      438.7787      156.6  
1 1 1 10 39 13 o 23.61000       1.371000      585.1719      -57.7  
1 1 1 10 39 14 o 7.236000       1.504000      357.4596      153.3  
1 1 1 10 39 15 o 7.725000       1.501000      467.0778      87.2   
1 1 1 10 39 16 o 3.867000       1.062000      175.3984      -131.2 
1 1 1 10 39 17 o 17.77000       1.215000      740.7883      -166.4 
1 1 1 10 39 18 o 0.9502000      1.055000      331.7524      109.7  
1 1 1 10 39 19 o 0.7292000      1.046000      198.0683      -40.1  
1 1 1 10 39 20 o 0.3191000      1.059000      47.55058      117.0  
1 1 1 10 39 21 o 3.718000       1.083000      184.3136      2.3    
1 1 1 10 39 22 o 2.884000       1.091000      124.4011      -91.4  
1 1 1 10 39 23 o 0.9781000      1.123000      159.7843      -157.6 
1 1 1 10 39 24 o -0.2070000     1.141000      53.25306      -40.2  
1 1 1 10 39 25 o 6.023000       1.206000      216.4379      -177.2 
1 1 1 10 39 26 o 28.18000       1.505000      624.3888      97.8   
1 1 1 10 39 27 o 3.755000       1.264000      235.4559      -99.3  
1 1 1 10 39 28 o 4.515000       1.429000      518.3999      -147.2 
1 1 1 10 39 29 o 0.1699000      1.727000      203.8321      -167.8 
1 1 1 10 39 30 o 0.3534000      1.259000      205.6422      -163.0 
1 1 1 10 39 31 o 23.54000       4.477000      719.3067      4.9    
1 1 1 10 39 32 o -2.289000      1.284000      72.57489      -117.4 
1 1 1 10 39 33 o 1.091000       1.070000      115.0242      -20.1  
1 1 1 10 39 34 o 4.643000       0.8638000     337.0894      -82.0  
1 1 1 10 39 35 o 2.484000       0.8397000     284.5151      -21.4  
1 1 1 10 39 36 o 1.613000       0.8783000     276.9250      -177.5 
1 1 1 10 39 37 o 11.65000       1.203000      503.3217      0.7    
1 1 1 10 39 38 o 9.390000       1.282000      410.1670      -131.8 
1 1 1 10 39 39 o 1.246000       1.159000      190.3756      3.2    
1 1 1 10 39 40 o 13.48000       1.112000      582.0377      129.5  
1 1 1 10 39 41 o 1.353000       1.048000      ?             ?      
1 1 1 10 39 42 o 20.61000       1.239000      ?             ?      
1 1 1 10 39 43 o 13.09000       1.208000      ?             ?      
1 1 1 10 39 44 o 0.7512000      1.061000      ?             ?      
1 1 1 10 39 45 o 6.293000       1.180000      ?             ?      
1 1 1 10 39 46 o 4.342000       1.241000      ?             ?      
1 1 1 10 39 47 o -1.468000      1.080000      ?             ?      
1 1 1 10 39 48 o 10.98000       1.132000      ?             ?      
1 1 1 10 39 49 o 3.221000       1.084000      ?             ?      
1 1 1 10 39 50 o 5.563000       1.238000      ?             ?      
1 1 1 10 39 51 o 9.894000       1.406000      ?             ?      
1 1 1 10 39 52 o 1.556000       1.192000      ?             ?      
1 1 1 10 39 53 o 0.3709000      1.084000      ?             ?      
1 1 1 10 39 54 o 4.413000       1.272000      ?             ?      
1 1 1 10 39 55 o 0.6746000      1.409000      ?             ?      
1 1 1 10 39 56 o 6.191000       1.431000      ?             ?      
1 1 1 10 39 57 o -0.1533000     1.155000      ?             ?      
1 1 1 10 39 58 o 2.749000       1.262000      ?             ?      
1 1 1 10 39 59 o -0.3086000     1.417000      ?             ?      
1 1 1 10 39 60 o 4.457000       1.496000      ?             ?      
1 1 1 10 39 61 o 1.130000       1.280000      ?             ?      
1 1 1 10 40 0  o 34.02000       1.580000      916.3354      0.0    
1 1 1 10 40 1  o 1.809000       0.7735000     181.4893      142.2  
1 1 1 10 40 2  o 24.97000       0.9726000     711.1166      21.4   
1 1 1 10 40 3  o 9.247000       0.8218000     504.9261      158.7  
1 1 1 10 40 4  o 2.811000       0.8404000     388.6726      -67.6  
1 1 1 10 40 5  o 7.492000       0.9143000     492.7185      -56.2  
1 1 1 10 40 6  o 1.094000       0.8089000     313.6856      48.9   
1 1 1 10 40 7  o 3.374000       0.7662000     90.71720      -121.0 
1 1 1 10 40 8  o 6.950000       0.7962000     366.6774      -126.3 
1 1 1 10 40 9  o 12.71000       0.8543000     420.6579      -116.1 
1 1 1 10 40 10 o 9.483000       1.090000      381.5265      161.7  
1 1 1 10 40 11 o 20.03000       1.311000      557.7487      -48.0  
1 1 1 10 40 12 o 1.994000       0.9275000     312.8361      77.6   
1 1 1 10 40 13 o 9.179000       1.096000      454.5182      -167.7 
1 1 1 10 40 14 o -1.412000      1.513000      179.1850      -54.5  
1 1 1 10 40 15 o 18.21000       1.224000      586.5883      -93.9  
1 1 1 10 40 16 o 11.48000       1.143000      485.0293      -81.4  
1 1 1 10 40 17 o 29.54000       1.387000      727.3556      -80.6  
1 1 1 10 40 18 o 8.541000       1.106000      392.6913      -135.5 
1 1 1 10 40 19 o 2.538000       1.066000      113.9784      30.7   
1 1 1 10 40 20 o 20.97000       1.276000      664.4435      -40.3  
1 1 1 10 40 21 o 2.730000       1.108000      394.3012      115.7  
1 1 1 10 40 22 o -0.3492000     1.175000      121.4601      167.1  
1 1 1 10 40 23 o 16.38000       1.301000      662.7463      -54.1  
1 1 1 10 40 24 o 11.11000       1.268000      495.5216      -156.4 
1 1 1 10 40 25 o 6.452000       1.235000      364.5596      47.9   
1 1 1 10 40 26 o 10.95000       1.333000      412.1992      -119.0 
1 1 1 10 40 27 o 9.520000       1.321000      472.4286      -80.2  
1 1 1 10 40 28 o 12.63000       1.997000      557.8842      -179.3 
1 1 1 10 40 29 o 1.535000       3.448000      184.1265      -37.4  
1 1 1 10 40 30 o 0.6604000      1.966000      189.2617      8.7    
1 1 1 10 40 31 o 2.138000       1.992000      319.8578      -10.1  
1 1 1 10 40 32 o 7.810000       1.512000      311.9424      70.9   
1 1 1 10 40 33 o 0.3775000E-01  1.062000      109.1461      68.6   
1 1 1 10 40 34 o -0.7044000     1.097000      53.41665      -89.7  
1 1 1 10 40 35 o 3.871000       0.8195000     284.7449      134.7  
1 1 1 10 40 36 o 4.042000       0.8584000     339.1571      -127.3 
1 1 1 10 40 37 o 14.36000       1.073000      548.1074      -91.7  
1 1 1 10 40 38 o 0.6249000      1.024000      73.26185      46.4   
1 1 1 10 40 39 o 9.733000       1.259000      556.0526      -114.8 
1 1 1 10 40 40 o 2.025000       1.171000      ?             ?      
1 1 1 10 40 41 o 6.791000       1.032000      ?             ?      
1 1 1 10 40 42 o 1.998000       1.035000      ?             ?      
1 1 1 10 40 43 o 11.28000       1.124000      ?             ?      
1 1 1 10 40 44 o 3.208000       1.079000      ?             ?      
1 1 1 10 40 45 o 4.514000       1.224000      ?             ?      
1 1 1 10 40 46 o -0.2883000     1.132000      ?             ?      
1 1 1 10 40 47 o 1.846000       1.039000      ?             ?      
1 1 1 10 40 48 o 3.050000       1.051000      ?             ?      
1 1 1 10 40 49 o 0.3510000      1.041000      ?             ?      
1 1 1 10 40 50 o 1.206000       1.061000      ?             ?      
1 1 1 10 40 51 o 1.059000       1.189000      ?             ?      
1 1 1 10 40 52 o 0.1640000      1.295000      ?             ?      
1 1 1 10 40 53 o 3.384000       1.213000      ?             ?      
1 1 1 10 40 54 o 3.169000       1.110000      ?             ?      
1 1 1 10 40 55 o 0.5769000      1.278000      ?             ?      
1 1 1 10 40 56 o -2.270000      1.538000      ?             ?      
1 1 1 10 40 57 o 2.371000       1.316000      ?             ?      
1 1 1 10 40 58 o 2.567000       1.215000      ?             ?      
1 1 1 10 40 59 o 1.517000       1.405000      ?             ?      
1 1 1 10 40 60 o -2.754000      1.308000      ?             ?      
1 1 1 10 41 0  o 6.075000       1.141000      394.8259      -0.0   
1 1 1 10 41 1  o 9.498000       0.8275000     378.5127      179.3  
1 1 1 10 41 2  o 2.394000       0.7695000     321.8904      -20.1  
1 1 1 10 41 3  o 1.112000       0.7838000     95.99808      48.7   
1 1 1 10 41 4  o 1.698000       1.154000      105.1795      44.2   
1 1 1 10 41 5  o 45.90000       1.545000      927.0750      15.4   
1 1 1 10 41 6  o 11.57000       0.9133000     397.1737      62.1   
1 1 1 10 41 7  o 9.016000       0.8110000     437.6647      -105.4 
1 1 1 10 41 8  o 7.329000       0.7894000     407.6966      170.0  
1 1 1 10 41 9  o 2.893000       0.7551000     182.6207      68.5   
1 1 1 10 41 10 o 13.34000       1.065000      598.7241      154.4  
1 1 1 10 41 11 o 2.428000       1.157000      257.5366      -23.6  
1 1 1 10 41 12 o 9.624000       0.9996000     466.7184      -177.8 
1 1 1 10 41 13 o -0.4628000     1.003000      190.2761      147.8  
1 1 1 10 41 14 o 8.130000       1.641000      401.5997      10.1   
1 1 1 10 41 15 o 9.686000       1.124000      382.6599      123.5  
1 1 1 10 41 16 o 0.4211000      1.057000      300.0171      53.7   
1 1 1 10 41 17 o 1.987000       1.064000      216.7936      -141.2 
1 1 1 10 41 18 o 2.245000       1.069000      388.1167      -9.2   
1 1 1 10 41 19 o 7.263000       1.125000      479.7936      -121.0 
1 1 1 10 41 20 o 3.171000       1.188000      267.6754      74.5   
1 1 1 10 41 21 o 10.43000       1.202000      381.3533      26.9   
1 1 1 10 41 22 o 8.048000       1.272000      316.5694      159.6  
1 1 1 10 41 23 o 10.42000       1.319000      546.1572      -15.1  
1 1 1 10 41 24 o 27.33000       1.519000      737.8912      52.1   
1 1 1 10 41 25 o 0.8724000      1.238000      97.63015      -74.1  
1 1 1 10 41 26 o 2.015000       1.452000      174.4750      -26.0  
1 1 1 10 41 27 o 10.97000       1.791000      445.4585      -134.4 
1 1 1 10 41 28 o -1.606000      1.731000      119.1049      -156.3 
1 1 1 10 41 29 o 1.095000       1.398000      268.6842      -42.6  
1 1 1 10 41 30 o 16.43000       2.345000      701.1617      85.4   
1 1 1 10 41 31 o 6.885000       2.106000      317.0117      43.2   
1 1 1 10 41 32 o 8.813000       1.209000      394.3829      -101.1 
1 1 1 10 41 33 o -1.211000      1.049000      256.6987      -153.4 
1 1 1 10 41 34 o 6.422000       1.105000      435.7878      -138.0 
1 1 1 10 41 35 o 3.570000       1.083000      288.8484      40.7   
1 1 1 10 41 36 o 0.8372000      0.8049000     209.2572      175.4  
1 1 1 10 41 37 o 2.419000       0.8412000     339.8925      -70.1  
1 1 1 10 41 38 o 5.953000       0.8876000     308.3627      2.6    
1 1 1 10 41 39 o 3.810000       1.011000      ?             ?      
1 1 1 10 41 40 o 0.2551000      1.196000      ?             ?      
1 1 1 10 41 41 o 0.9254000      1.144000      ?             ?      
1 1 1 10 41 42 o 21.38000       1.315000      ?             ?      
1 1 1 10 41 43 o 2.295000       0.9987000     ?             ?      
1 1 1 10 41 44 o 5.657000       1.104000      ?             ?      
1 1 1 10 41 45 o 5.780000       1.207000      ?             ?      
1 1 1 10 41 46 o -0.5056000     1.045000      ?             ?      
1 1 1 10 41 47 o 1.159000       1.028000      ?             ?      
1 1 1 10 41 48 o 0.8182000      1.036000      ?             ?      
1 1 1 10 41 49 o 0.5172000      1.033000      ?             ?      
1 1 1 10 41 50 o 0.2452000      1.030000      ?             ?      
1 1 1 10 41 51 o 1.099000       1.051000      ?             ?      
1 1 1 10 41 52 o 1.414000       1.191000      ?             ?      
1 1 1 10 41 53 o 1.477000       1.307000      ?             ?      
1 1 1 10 41 54 o 1.422000       1.218000      ?             ?      
1 1 1 10 41 55 o 1.596000       1.121000      ?             ?      
1 1 1 10 41 56 o 4.572000       1.319000      ?             ?      
1 1 1 10 41 57 o -0.3973000     1.434000      ?             ?      
1 1 1 10 41 58 o -1.764000      1.469000      ?             ?      
1 1 1 10 41 59 o -2.511000      1.384000      ?             ?      
1 1 1 10 42 0  o -0.5950000     1.088000      18.75215      -0.0   
1 1 1 10 42 1  o 4.428000       0.7859000     398.0587      111.7  
1 1 1 10 42 2  o 7.463000       0.8141000     388.2159      -133.7 
1 1 1 10 42 3  o 14.14000       0.8984000     602.5397      23.6   
1 1 1 10 42 4  o 32.78000       1.189000      925.0320      -6.1   
1 1 1 10 42 5  o 16.90000       1.051000      522.7026      141.2  
1 1 1 10 42 6  o 8.912000       0.9001000     414.2392      167.8  
1 1 1 10 42 7  o 6.752000       0.8024000     241.5327      -148.9 
1 1 1 10 42 8  o 7.961000       0.8116000     499.6085      -87.4  
1 1 1 10 42 9  o 39.76000       1.485000      825.9426      -129.2 
1 1 1 10 42 10 o 24.65000       1.676000      717.5316      96.2   
1 1 1 10 42 11 o 10.56000       1.067000      424.0444      -142.2 
1 1 1 10 42 12 o 1.044000       0.9112000     219.6231      20.1   
1 1 1 10 42 13 o 6.586000       1.053000      492.2078      -89.3  
1 1 1 10 42 14 o 7.569000       1.161000      436.4160      -129.1 
1 1 1 10 42 15 o 1.583000       1.088000      122.8315      17.9   
1 1 1 10 42 16 o 1.611000       1.086000      212.2056      -32.8  
1 1 1 10 42 17 o 3.090000       1.093000      189.8667      97.0   
1 1 1 10 42 18 o 17.09000       1.361000      692.0601      -16.3  
1 1 1 10 42 19 o 3.659000       1.164000      305.2324      170.9  
1 1 1 10 42 20 o 1.299000       1.225000      113.6901      112.7  
1 1 1 10 42 21 o 4.510000       1.257000      282.0309      127.5  
1 1 1 10 42 22 o 10.11000       1.330000      342.5115      -142.0 
1 1 1 10 42 23 o 10.78000       1.387000      489.2962      -127.6 
1 1 1 10 42 24 o -1.983000      1.628000      148.7127      -38.6  
1 1 1 10 42 25 o 7.671000       1.484000      419.0563      -10.1  
1 1 1 10 42 26 o 1.522000       1.382000      256.1092      157.8  
1 1 1 10 42 27 o 2.130000       1.822000      204.9030      -164.9 
1 1 1 10 42 28 o 1.279000       1.904000      66.36876      -43.1  
1 1 1 10 42 29 o 4.583000       2.083000      376.8908      135.5  
1 1 1 10 42 30 o 5.411000       2.063000      179.9324      49.0   
1 1 1 10 42 31 o 3.325000       1.481000      221.8043      -94.8  
1 1 1 10 42 32 o -0.1183000     1.453000      192.7817      -43.8  
1 1 1 10 42 33 o -1.058000      1.049000      254.0056      -118.9 
1 1 1 10 42 34 o 0.8491000      1.104000      267.0144      -8.7   
1 1 1 10 42 35 o 10.10000       1.253000      547.9779      -83.1  
1 1 1 10 42 36 o 6.864000       1.127000      476.4488      -152.6 
1 1 1 10 42 37 o 1.782000       1.110000      ?             ?      
1 1 1 10 42 38 o 4.824000       0.8286000     ?             ?      
1 1 1 10 42 39 o 6.362000       0.8569000     ?             ?      
1 1 1 10 42 40 o 5.606000       1.001000      ?             ?      
1 1 1 10 42 41 o 4.274000       1.007000      ?             ?      
1 1 1 10 42 42 o 5.812000       1.322000      ?             ?      
1 1 1 10 42 43 o 8.258000       1.040000      ?             ?      
1 1 1 10 42 44 o 0.4097000E-01  0.9762000     ?             ?      
1 1 1 10 42 45 o -0.8178000     1.053000      ?             ?      
1 1 1 10 42 46 o 3.963000       1.014000      ?             ?      
1 1 1 10 42 47 f 2.398000       1.024000      ?             ?      
1 1 1 10 42 48 o 1.241000       1.010000      ?             ?      
1 1 1 10 42 49 o 0.1845000      1.022000      ?             ?      
1 1 1 10 42 50 o 2.084000       1.048000      ?             ?      
1 1 1 10 42 51 o -1.675000      1.031000      ?             ?      
1 1 1 10 42 52 o 4.775000       1.102000      ?             ?      
1 1 1 10 42 53 o 0.1867000      1.324000      ?             ?      
1 1 1 10 42 54 o -0.2575000     1.325000      ?             ?      
1 1 1 10 42 55 o 2.660000       1.264000      ?             ?      
1 1 1 10 42 56 o 1.865000       1.135000      ?             ?      
1 1 1 10 42 57 o 3.326000       1.351000      ?             ?      
1 1 1 10 42 58 o 1.589000       2.184000      ?             ?      
1 1 1 10 43 0  o 11.86000       1.211000      620.6763      -180.0 
1 1 1 10 43 1  o -0.6353000     0.7796000     79.49425      115.9  
1 1 1 10 43 2  o 0.4344000      0.7818000     115.1676      156.9  
1 1 1 10 43 3  o 14.26000       0.9050000     566.4182      -33.0  
1 1 1 10 43 4  o 5.173000       0.8821000     352.3382      94.4   
1 1 1 10 43 5  o 3.770000       0.9308000     238.1403      -4.8   
1 1 1 10 43 6  o 14.06000       0.9920000     534.1909      -75.9  
1 1 1 10 43 7  o 12.78000       0.8858000     557.2930      -50.0  
1 1 1 10 43 8  o 14.17000       0.9776000     540.5551      165.2  
1 1 1 10 43 9  o 5.691000       0.7777000     304.0384      -153.6 
1 1 1 10 43 10 o 4.156000       0.8186000     316.5276      -104.3 
1 1 1 10 43 11 o 0.1284000      0.9164000     173.8036      178.6  
1 1 1 10 43 12 o 0.6852000      1.058000      237.7953      69.2   
1 1 1 10 43 13 o 1.036000       1.035000      358.9762      -59.5  
1 1 1 10 43 14 o 5.900000       1.153000      302.4037      106.0  
1 1 1 10 43 15 o 5.421000       1.132000      312.6400      -179.5 
1 1 1 10 43 16 o 20.42000       0.9659000     598.6149      87.2   
1 1 1 10 43 17 o 16.77000       1.392000      504.6672      101.2  
1 1 1 10 43 18 o 5.439000       1.212000      314.8528      -143.8 
1 1 1 10 43 19 o 5.693000       1.317000      357.4132      -120.1 
1 1 1 10 43 20 o 9.284000       1.333000      411.2484      17.3   
1 1 1 10 43 21 o 15.65000       1.496000      477.2861      -65.6  
1 1 1 10 43 22 o 5.009000       1.623000      415.9357      -26.1  
1 1 1 10 43 23 o 42.67000       2.103000      1010.135      36.4   
1 1 1 10 43 24 o -2.568000      1.365000      157.4894      25.1   
1 1 1 10 43 25 o 6.625000       1.450000      306.5319      -138.4 
1 1 1 10 43 26 o 3.376000       1.437000      328.9858      169.1  
1 1 1 10 43 27 o 4.849000       1.912000      165.5016      64.4   
1 1 1 10 43 28 o 5.085000       1.542000      333.9767      -111.1 
1 1 1 10 43 29 o 6.953000       2.086000      362.1508      -9.7   
1 1 1 10 43 30 o -1.916000      1.522000      167.1658      67.5   
1 1 1 10 43 31 o 0.2045000      1.510000      61.52263      44.9   
1 1 1 10 43 32 o 0.4027000      1.970000      140.0657      69.0   
1 1 1 10 43 33 o 16.28000       1.742000      625.6765      125.8  
1 1 1 10 43 34 o 17.48000       1.786000      727.1176      -6.0   
1 1 1 10 43 35 o 0.5811000      1.087000      186.3405      -153.6 
1 1 1 10 43 36 o 0.6466000      1.055000      ?             ?      
1 1 1 10 43 37 o 7.034000       1.127000      ?             ?      
1 1 1 10 43 38 o 3.951000       1.119000      ?             ?      
1 1 1 10 43 39 o 1.577000       0.7891000     ?             ?      
1 1 1 10 43 40 o 1.698000       0.8094000     ?             ?      
1 1 1 10 43 41 o 0.4825000      0.9367000     ?             ?      
1 1 1 10 43 42 o 1.913000       0.9613000     ?             ?      
1 1 1 10 43 43 o 0.6891000E-01  1.417000      ?             ?      
1 1 1 10 43 44 o -1.199000      1.267000      ?             ?      
1 1 1 10 43 45 o 0.3382000      0.9087000     ?             ?      
1 1 1 10 43 46 o 3.836000       0.9789000     ?             ?      
1 1 1 10 43 47 o 0.9591000      0.9810000     ?             ?      
1 1 1 10 43 48 o 1.597000       0.9995000     ?             ?      
1 1 1 10 43 49 o 2.849000       1.023000      ?             ?      
1 1 1 10 43 50 o 2.493000       1.045000      ?             ?      
1 1 1 10 43 51 o 0.6504000E-01  1.052000      ?             ?      
1 1 1 10 43 52 o 2.178000       1.080000      ?             ?      
1 1 1 10 43 53 o 0.9413000E-01  1.086000      ?             ?      
1 1 1 10 43 54 o 3.566000       1.350000      ?             ?      
1 1 1 10 43 55 o 1.197000       1.240000      ?             ?      
1 1 1 10 43 56 o 2.549000       1.239000      ?             ?      
1 1 1 10 43 57 o 6.001000       1.283000      ?             ?      
1 1 1 10 44 0  o 0.5277000      1.137000      179.5717      -180.0 
1 1 1 10 44 1  o 1.020000       0.8040000     214.5083      178.9  
1 1 1 10 44 2  o 4.697000       0.8262000     249.6461      -164.0 
1 1 1 10 44 3  o 8.095000       0.9187000     422.6608      -32.9  
1 1 1 10 44 4  o 16.32000       0.9528000     643.8000      7.8    
1 1 1 10 44 5  o 7.648000       0.9297000     351.9564      -142.6 
1 1 1 10 44 6  o 18.03000       1.109000      580.7046      -117.0 
1 1 1 10 44 7  o 4.877000       0.8052000     312.7302      -14.8  
1 1 1 10 44 8  o 4.872000       0.7924000     394.4211      -64.5  
1 1 1 10 44 9  o 2.549000       0.7753000     232.5146      -65.0  
1 1 1 10 44 10 o 4.753000       0.9121000     397.1382      -159.7 
1 1 1 10 44 11 o 4.293000       0.8902000     448.4387      -22.0  
1 1 1 10 44 12 o 3.740000       1.229000      366.1797      39.3   
1 1 1 10 44 13 o 19.44000       1.381000      687.0912      -157.8 
1 1 1 10 44 14 o 23.35000       1.415000      589.2181      -119.1 
1 1 1 10 44 15 o 12.94000       1.250000      409.1634      146.9  
1 1 1 10 44 16 o 9.038000       1.208000      371.4758      -162.0 
1 1 1 10 44 17 o 1.293000       1.280000      173.4817      -93.7  
1 1 1 10 44 18 o 10.63000       1.408000      416.0460      18.0   
1 1 1 10 44 19 o 1.320000       1.587000      178.4191      -52.2  
1 1 1 10 44 20 o 4.178000       1.420000      409.4221      5.1    
1 1 1 10 44 21 o 3.000000       1.334000      233.8637      172.5  
1 1 1 10 44 22 o -0.1748000E-01 1.324000      141.2637      80.8   
1 1 1 10 44 23 o 2.791000       1.392000      290.7467      -120.6 
1 1 1 10 44 24 o 9.234000       1.463000      423.1724      -93.7  
1 1 1 10 44 25 o 0.5036000      1.445000      83.08806      -165.3 
1 1 1 10 44 26 o 2.019000       1.932000      430.4263      -179.0 
1 1 1 10 44 27 o 13.10000       2.080000      553.0732      -76.8  
1 1 1 10 44 28 o 27.57000       2.539000      742.5906      90.3   
1 1 1 10 44 29 o 2.846000       2.144000      204.2878      -138.4 
1 1 1 10 44 30 o 0.3012000      1.517000      175.7595      117.2  
1 1 1 10 44 31 o 7.834000       1.589000      406.9775      -101.5 
1 1 1 10 44 32 o 7.857000       1.627000      362.2109      -139.1 
1 1 1 10 44 33 o 3.369000       1.578000      268.1896      115.2  
1 1 1 10 44 34 o 1.557000       1.998000      ?             ?      
1 1 1 10 44 35 o -0.5681000     1.107000      ?             ?      
1 1 1 10 44 36 o 4.096000       1.187000      ?             ?      
1 1 1 10 44 37 o 0.8123000      1.036000      ?             ?      
1 1 1 10 44 38 o 18.11000       1.328000      ?             ?      
1 1 1 10 44 39 o 1.022000       1.043000      ?             ?      
1 1 1 10 44 40 o 2.161000       0.7729000     ?             ?      
1 1 1 10 44 41 o 2.225000       0.7823000     ?             ?      
1 1 1 10 44 42 o 0.9903000      0.9274000     ?             ?      
1 1 1 10 44 43 o 5.317000       1.144000      ?             ?      
1 1 1 10 44 44 o 4.407000       1.618000      ?             ?      
1 1 1 10 44 45 o 0.6230000      1.096000      ?             ?      
1 1 1 10 44 46 o 1.879000       0.9500000     ?             ?      
1 1 1 10 44 47 o 1.398000       0.8900000     ?             ?      
1 1 1 10 44 48 o 0.7099000      0.9623000     ?             ?      
1 1 1 10 44 49 o 0.9069000      0.9992000     ?             ?      
1 1 1 10 44 50 o 0.7892000      1.014000      ?             ?      
1 1 1 10 44 51 o 1.464000       1.030000      ?             ?      
1 1 1 10 44 52 o 0.8843000      1.061000      ?             ?      
1 1 1 10 44 53 o 6.097000       1.119000      ?             ?      
1 1 1 10 44 54 o -0.3362000     1.215000      ?             ?      
1 1 1 10 44 55 o 2.413000       1.345000      ?             ?      
1 1 1 10 44 56 o -0.5852000     1.259000      ?             ?      
1 1 1 10 45 0  o 1.021000       1.176000      109.2478      180.0  
1 1 1 10 45 1  o 7.512000       0.8729000     314.4576      -87.5  
1 1 1 10 45 2  o 2.628000       0.8356000     219.8991      -141.3 
1 1 1 10 45 3  o 6.438000       0.8641000     325.5946      55.1   
1 1 1 10 45 4  o 10.58000       0.8892000     585.7750      6.1    
1 1 1 10 45 5  o 3.706000       0.9383000     484.8731      -92.2  
1 1 1 10 45 6  o 8.210000       1.031000      397.9783      56.1   
1 1 1 10 45 7  o 5.794000       0.9055000     354.0118      42.8   
1 1 1 10 45 8  o 0.8522000      0.7887000     126.0712      112.1  
1 1 1 10 45 9  o 5.908000       0.8183000     312.8313      -131.2 
1 1 1 10 45 10 o 2.288000       0.8232000     290.7591      -13.9  
1 1 1 10 45 11 o 12.02000       1.805000      463.2293      -65.9  
1 1 1 10 45 12 o 7.277000       1.746000      386.6848      -25.1  
1 1 1 10 45 13 o 11.16000       1.294000      446.3891      -108.3 
1 1 1 10 45 14 o 2.894000       1.212000      281.3068      -92.8  
1 1 1 10 45 15 o 1.698000       1.275000      182.6292      -72.3  
1 1 1 10 45 16 f 27.36000       1.946000      699.7958      120.0  
1 1 1 10 45 17 o 2.199000       1.447000      155.0238      57.6   
1 1 1 10 45 18 o 4.655000       1.382000      270.5115      9.9    
1 1 1 10 45 19 o 4.376000       1.366000      212.4231      24.5   
1 1 1 10 45 20 o -1.264000      1.337000      197.4105      82.8   
1 1 1 10 45 21 o 2.350000       1.356000      69.87611      22.4   
1 1 1 10 45 22 o 19.25000       1.560000      519.2125      -34.3  
1 1 1 10 45 23 o 6.592000       1.475000      364.4753      40.7   
1 1 1 10 45 24 o 10.06000       1.520000      491.4960      -27.2  
1 1 1 10 45 25 o 1.942000       1.504000      232.1872      3.7    
1 1 1 10 45 26 o 0.6203000E-01  1.944000      266.5585      142.9  
1 1 1 10 45 27 o -0.1552000     1.530000      68.28735      -152.5 
1 1 1 10 45 28 o 10.48000       2.234000      481.8651      -36.9  
1 1 1 10 45 29 o -0.4467000     1.528000      122.1655      -79.4  
1 1 1 10 45 30 o 0.3442000      1.535000      159.3848      -101.9 
1 1 1 10 45 31 o 5.859000       1.567000      214.5032      -137.9 
1 1 1 10 45 32 o 6.280000       1.570000      ?             ?      
1 1 1 10 45 33 o -0.3324000     1.524000      ?             ?      
1 1 1 10 45 34 o 0.7690000      1.573000      ?             ?      
1 1 1 10 45 35 o 11.90000       2.104000      ?             ?      
1 1 1 10 45 36 o 1.620000       1.994000      ?             ?      
1 1 1 10 45 37 o -1.101000      1.058000      ?             ?      
1 1 1 10 45 38 o 1.054000       1.049000      ?             ?      
1 1 1 10 45 39 o 0.9454000      1.044000      ?             ?      
1 1 1 10 45 40 o 0.6093000      1.031000      ?             ?      
1 1 1 10 45 41 o 5.343000       1.181000      ?             ?      
1 1 1 10 45 42 o 6.496000       0.8533000     ?             ?      
1 1 1 10 45 43 o 2.339000       0.8507000     ?             ?      
1 1 1 10 45 44 o 4.317000       0.9543000     ?             ?      
1 1 1 10 45 45 o 1.885000       1.120000      ?             ?      
1 1 1 10 45 46 o 2.364000       1.095000      ?             ?      
1 1 1 10 45 47 o 0.7527000      0.9231000     ?             ?      
1 1 1 10 45 48 o 3.630000       0.8999000     ?             ?      
1 1 1 10 45 49 o 2.555000       0.9796000     ?             ?      
1 1 1 10 45 50 o 1.938000       0.9976000     ?             ?      
1 1 1 10 45 51 o 0.7720000      1.016000      ?             ?      
1 1 1 10 45 52 o 3.200000       1.080000      ?             ?      
1 1 1 10 45 53 o 1.403000       1.074000      ?             ?      
1 1 1 10 45 54 o 0.5002000      1.089000      ?             ?      
1 1 1 10 45 55 o -2.459000      1.277000      ?             ?      
1 1 1 10 46 0  o 1.192000       1.231000      51.65959      0.0    
1 1 1 10 46 1  o 5.181000       0.8887000     287.0538      -96.3  
1 1 1 10 46 2  o 2.679000       0.8577000     192.8707      148.8  
1 1 1 10 46 3  o -0.3099000     0.8510000     101.9810      -159.7 
1 1 1 10 46 4  o -1.041000      0.8354000     35.48306      -118.1 
1 1 1 10 46 5  o 1.021000       0.9282000     307.9623      -142.8 
1 1 1 10 46 6  o 6.336000       1.024000      321.8572      -170.6 
1 1 1 10 46 7  o 5.167000       0.9706000     270.1567      92.6   
1 1 1 10 46 8  o 3.196000       0.8328000     358.6372      -73.9  
1 1 1 10 46 9  o 4.697000       0.8993000     364.7089      54.1   
1 1 1 10 46 10 o 10.01000       0.9302000     409.5291      -91.3  
1 1 1 10 46 11 o 6.285000       0.8581000     321.2206      52.3   
1 1 1 10 46 12 o -1.057000      1.140000      96.38592      160.1  
1 1 1 10 46 13 o 1.093000       1.349000      168.0285      -90.8  
1 1 1 10 46 14 o 6.272000       1.247000      269.1766      -64.6  
1 1 1 10 46 15 o 1.481000       1.206000      137.2121      76.3   
1 1 1 10 46 16 o 2.347000       1.355000      213.0670      142.8  
1 1 1 10 46 17 o 1.688000       1.348000      53.02626      -22.0  
1 1 1 10 46 18 o 4.602000       1.384000      206.8222      -25.6  
1 1 1 10 46 19 o 16.25000       1.507000      451.9392      -99.6  
1 1 1 10 46 20 o 1.529000       1.371000      34.55972      6.6    
1 1 1 10 46 21 o 4.313000       1.406000      202.1486      -155.0 
1 1 1 10 46 22 o 2.590000       1.301000      244.1250      30.4   
1 1 1 10 46 23 o -1.338000      1.456000      141.0691      139.7  
1 1 1 10 46 24 o 11.37000       1.564000      476.6118      157.6  
1 1 1 10 46 25 o -4.231000      1.983000      181.1751      -128.4 
1 1 1 10 46 26 o 2.733000       3.983000      345.8936      132.9  
1 1 1 10 46 27 o -4.077000      2.151000      61.34622      170.7  
1 1 1 10 46 28 o 5.399000       2.191000      311.6358      149.5  
1 1 1 10 46 29 o 0.4161000      1.528000      66.96123      -38.2  
1 1 1 10 46 30 o -0.2545000     1.501000      ?             ?      
1 1 1 10 46 31 o 3.878000       1.543000      ?             ?      
1 1 1 10 46 32 o 1.465000       1.547000      ?             ?      
1 1 1 10 46 33 o 2.451000       1.564000      ?             ?      
1 1 1 10 46 34 o 1.683000       1.541000      ?             ?      
1 1 1 10 46 35 o -0.8062000     1.560000      ?             ?      
1 1 1 10 46 36 o -0.4101000     1.969000      ?             ?      
1 1 1 10 46 37 o 4.705000       2.035000      ?             ?      
1 1 1 10 46 38 o 3.955000       1.689000      ?             ?      
1 1 1 10 46 39 o 4.565000       1.656000      ?             ?      
1 1 1 10 46 40 o 4.007000       1.057000      ?             ?      
1 1 1 10 46 41 o 0.9302000E-01  1.118000      ?             ?      
1 1 1 10 46 42 o 0.7867000      1.075000      ?             ?      
1 1 1 10 46 43 o 0.2812000      0.7509000     ?             ?      
1 1 1 10 46 44 o 0.3778000      0.7588000     ?             ?      
1 1 1 10 46 45 o -0.5474000     0.8799000     ?             ?      
1 1 1 10 46 46 o -0.7760000     1.124000      ?             ?      
1 1 1 10 46 47 o 0.6625000      1.265000      ?             ?      
1 1 1 10 46 48 o 0.1539000      0.9335000     ?             ?      
1 1 1 10 46 49 o 0.1957000      0.8772000     ?             ?      
1 1 1 10 46 50 o 1.206000       0.9092000     ?             ?      
1 1 1 10 46 51 o 1.380000       1.036000      ?             ?      
1 1 1 10 46 52 o -0.2481000     1.061000      ?             ?      
1 1 1 10 46 53 o 4.198000       1.080000      ?             ?      
1 1 1 10 46 54 o -1.678000      1.096000      ?             ?      
1 1 1 10 47 0  o 0.5142000      1.292000      7.581500      -180.0 
1 1 1 10 47 1  o 9.363000       0.9522000     453.6009      -163.8 
1 1 1 10 47 2  o 0.9405000      0.8673000     88.65477      -125.2 
1 1 1 10 47 3  o -1.087000      0.8639000     76.25629      53.4   
1 1 1 10 47 4  o 14.74000       0.9568000     486.4280      -25.3  
1 1 1 10 47 5  o 3.853000       0.9478000     359.9883      -155.8 
1 1 1 10 47 6  o 1.921000       1.015000      184.2535      97.3   
1 1 1 10 47 7  o 1.337000       0.9673000     153.8675      -45.6  
1 1 1 10 47 8  o 1.852000       0.9955000     146.7444      176.6  
1 1 1 10 47 9  o -1.203000      0.9738000     119.5032      -141.9 
1 1 1 10 47 10 o -0.6702000     1.442000      96.22285      -35.1  
1 1 1 10 47 11 o 2.573000       1.176000      255.5727      -39.0  
1 1 1 10 47 12 o -0.1486000     0.9313000     129.6479      15.9   
1 1 1 10 47 13 o 1.840000       0.9072000     247.9010      1.1    
1 1 1 10 47 14 o 2.951000       1.232000      317.9957      110.2  
1 1 1 10 47 15 o 3.518000       1.323000      316.0422      102.1  
1 1 1 10 47 16 o 8.888000       1.399000      305.5564      100.1  
1 1 1 10 47 17 o 7.329000       1.418000      448.0071      -55.9  
1 1 1 10 47 18 o 7.727000       1.439000      383.0936      21.7   
1 1 1 10 47 19 o -1.110000      1.397000      164.9220      157.8  
1 1 1 10 47 20 o 3.251000       1.416000      270.5966      48.4   
1 1 1 10 47 21 o 3.921000       1.453000      225.4672      -95.2  
1 1 1 10 47 22 o 4.485000       1.488000      261.5460      -119.1 
1 1 1 10 47 23 o -1.043000      1.481000      47.73446      48.5   
1 1 1 10 47 24 o 10.66000       2.123000      463.7187      -34.5  
1 1 1 10 47 25 o 6.631000       2.124000      435.1410      -168.8 
1 1 1 10 47 26 o 6.628000       1.635000      385.8582      -100.0 
1 1 1 10 47 27 o 3.419000       2.129000      301.9040      -128.0 
1 1 1 10 47 28 o 3.037000       2.105000      ?             ?      
1 1 1 10 47 29 o 1.385000       1.506000      ?             ?      
1 1 1 10 47 30 o 3.563000       1.513000      ?             ?      
1 1 1 10 47 31 o 0.2254000      1.526000      ?             ?      
1 1 1 10 47 32 o 0.1229000      1.551000      ?             ?      
1 1 1 10 47 33 o 4.184000       1.609000      ?             ?      
1 1 1 10 47 34 o 2.301000       1.561000      ?             ?      
1 1 1 10 47 35 o 4.417000       1.580000      ?             ?      
1 1 1 10 47 36 o 1.347000       1.555000      ?             ?      
1 1 1 10 47 37 o -1.650000      1.625000      ?             ?      
1 1 1 10 47 38 o -0.3443000     1.993000      ?             ?      
1 1 1 10 47 39 o 2.497000       1.994000      ?             ?      
1 1 1 10 47 40 o -0.7653000     1.662000      ?             ?      
1 1 1 10 47 41 o -0.9480000E-01 1.092000      ?             ?      
1 1 1 10 47 42 o 0.8271000      0.7195000     ?             ?      
1 1 1 10 47 43 o -0.5281000     1.117000      ?             ?      
1 1 1 10 47 44 o 1.261000       1.049000      ?             ?      
1 1 1 10 47 45 o 0.9125000      0.7366000     ?             ?      
1 1 1 10 47 46 o 1.764000       0.8911000     ?             ?      
1 1 1 10 47 47 o -1.132000      0.9014000     ?             ?      
1 1 1 10 47 48 o 1.840000       1.137000      ?             ?      
1 1 1 10 47 49 o 2.411000       1.118000      ?             ?      
1 1 1 10 47 50 o 0.5082000      0.9769000     ?             ?      
1 1 1 10 47 51 o 0.4328000      0.9506000     ?             ?      
1 1 1 10 47 52 o 0.8299000      0.9760000     ?             ?      
1 1 1 10 47 53 o 0.8000000      1.055000      ?             ?      
1 1 1 10 48 0  o 6.273000       1.400000      399.2404      180.0  
1 1 1 10 48 1  o 0.9325000E-01  0.9321000     169.6144      -73.8  
1 1 1 10 48 2  o 3.518000       0.9113000     92.45090      -134.1 
1 1 1 10 48 3  o 0.7056000      0.9528000     127.9472      -108.6 
1 1 1 10 48 4  o -1.445000      0.9452000     66.82938      -69.7  
1 1 1 10 48 5  o 1.787000       1.036000      61.73014      132.9  
1 1 1 10 48 6  o 2.291000       1.114000      115.6595      -153.3 
1 1 1 10 48 7  o 1.327000       1.739000      148.0180      -111.4 
1 1 1 10 48 8  o 0.2559000      0.9914000     84.93389      -137.1 
1 1 1 10 48 9  o 3.987000       0.8140000     317.7037      110.1  
1 1 1 10 48 10 o 7.270000       1.029000      356.1946      -100.8 
1 1 1 10 48 11 o 1.518000       1.029000      71.28539      -31.4  
1 1 1 10 48 12 f 2.189000       0.9355000     201.4620      23.3   
1 1 1 10 48 13 o 2.581000       0.9176000     159.1235      128.4  
1 1 1 10 48 14 o 3.318000       1.284000      182.6586      -157.9 
1 1 1 10 48 15 f -0.6491000     1.343000      36.02340      -21.0  
1 1 1 10 48 16 o 1.392000       1.364000      200.7667      -23.3  
1 1 1 10 48 17 o 3.241000       1.389000      242.3497      -108.8 
1 1 1 10 48 18 o -1.195000      1.401000      108.1033      82.4   
1 1 1 10 48 19 o 2.151000       1.421000      49.95152      -90.6  
1 1 1 10 48 20 o 3.741000       1.466000      263.4728      -107.3 
1 1 1 10 48 21 o 11.21000       1.566000      315.3852      176.6  
1 1 1 10 48 22 o 0.5783000      1.472000      132.8763      65.5   
1 1 1 10 48 23 o -1.913000      1.493000      115.2224      -118.2 
1 1 1 10 48 24 o 5.286000       2.024000      144.5809      -83.2  
1 1 1 10 48 25 o 2.955000       2.061000      167.1899      37.3   
1 1 1 10 48 26 o 2.277000       2.111000      ?             ?      
1 1 1 10 48 27 o 1.838000       2.051000      ?             ?      
1 1 1 10 48 28 o 0.6482000      1.460000      ?             ?      
1 1 1 10 48 29 o -0.7473000     1.471000      ?             ?      
1 1 1 10 48 30 o -0.8762000     1.503000      ?             ?      
1 1 1 10 48 31 o 4.110000       1.556000      ?             ?      
1 1 1 10 48 32 o 2.746000       1.553000      ?             ?      
1 1 1 10 48 33 o 6.661000       1.608000      ?             ?      
1 1 1 10 48 34 o 1.271000       1.538000      ?             ?      
1 1 1 10 48 35 o 3.147000       1.598000      ?             ?      
1 1 1 10 48 36 o -2.460000      1.567000      ?             ?      
1 1 1 10 48 37 o 2.625000       1.600000      ?             ?      
1 1 1 10 48 38 o 0.2130000      1.584000      ?             ?      
1 1 1 10 48 39 o 0.8683000      3.079000      ?             ?      
1 1 1 10 48 40 o 2.455000       2.511000      ?             ?      
1 1 1 10 48 41 o -2.084000      1.886000      ?             ?      
1 1 1 10 48 42 o -1.195000      1.172000      ?             ?      
1 1 1 10 48 43 o 0.9754000E-01  0.9967000     ?             ?      
1 1 1 10 48 44 o 0.9904000      1.022000      ?             ?      
1 1 1 10 48 45 o 2.012000       1.019000      ?             ?      
1 1 1 10 48 46 o -0.8550000E-01 1.030000      ?             ?      
1 1 1 10 48 47 o -0.4835000E-01 0.7514000     ?             ?      
1 1 1 10 48 48 o -0.9404000     0.9098000     ?             ?      
1 1 1 10 48 49 o -1.039000      1.269000      ?             ?      
1 1 1 10 48 50 o -0.7234000     1.246000      ?             ?      
1 1 1 10 48 51 o -0.5582000     0.9728000     ?             ?      
1 1 1 10 48 52 o 0.1059000      1.009000      ?             ?      
1 1 1 10 49 0  o 1.869000       1.490000      44.67545      180.0  
1 1 1 10 49 1  o 3.075000       1.016000      171.6151      -130.6 
1 1 1 10 49 2  o 1.749000       0.9334000     121.8293      76.3   
1 1 1 10 49 3  o -0.5658000     1.005000      72.77994      -80.7  
1 1 1 10 49 4  o 1.466000       1.174000      150.6830      19.9   
1 1 1 10 49 5  o 1.008000       1.087000      100.5170      60.1   
1 1 1 10 49 6  o 1.988000       1.141000      299.0681      -158.9 
1 1 1 10 49 7  f 2.699000       1.083000      175.6816      -114.4 
1 1 1 10 49 8  o 2.623000       0.9368000     235.0847      173.7  
1 1 1 10 49 9  o 2.108000       0.8141000     219.6482      -32.2  
1 1 1 10 49 10 o 0.3275000      0.8051000     96.07335      146.0  
1 1 1 10 49 11 o 4.285000       0.9350000     238.6275      35.7   
1 1 1 10 49 12 o 3.606000       0.9574000     191.8412      -1.6   
1 1 1 10 49 13 o 2.911000       0.9438000     260.9861      75.7   
1 1 1 10 49 14 o 15.67000       1.453000      449.1260      86.6   
1 1 1 10 49 15 o 5.705000       1.406000      289.3125      6.4    
1 1 1 10 49 16 o 1.272000       1.379000      23.99005      132.8  
1 1 1 10 49 17 o 3.160000       1.384000      102.2277      -59.7  
1 1 1 10 49 18 o 1.765000       1.406000      149.4199      49.9   
1 1 1 10 49 19 o 2.652000       1.415000      130.8775      -159.5 
1 1 1 10 49 20 o 3.348000       1.446000      187.1549      -61.5  
1 1 1 10 49 21 o 2.343000       1.474000      213.6662      -91.2  
1 1 1 10 49 22 o 1.323000       1.474000      122.8325      -149.7 
1 1 1 10 49 23 o 1.438000       1.948000      ?             ?      
1 1 1 10 49 24 o 2.291000       2.005000      ?             ?      
1 1 1 10 49 25 o 3.152000       1.524000      ?             ?      
1 1 1 10 49 26 o 0.8980000E-01  2.029000      ?             ?      
1 1 1 10 49 27 o 0.5092000      2.037000      ?             ?      
1 1 1 10 49 28 o 1.484000       1.479000      ?             ?      
1 1 1 10 49 29 o 0.7152000      1.514000      ?             ?      
1 1 1 10 49 30 o 2.439000       1.525000      ?             ?      
1 1 1 10 49 31 o 0.5829000      1.514000      ?             ?      
1 1 1 10 49 32 o -0.5593000     1.529000      ?             ?      
1 1 1 10 49 33 o 1.753000       1.560000      ?             ?      
1 1 1 10 49 34 o -2.291000      1.545000      ?             ?      
1 1 1 10 49 35 o 2.447000       1.572000      ?             ?      
1 1 1 10 49 36 o 3.092000       1.612000      ?             ?      
1 1 1 10 49 37 o -0.2501000     1.579000      ?             ?      
1 1 1 10 49 38 o -0.3892000     1.583000      ?             ?      
1 1 1 10 49 39 o 3.192000       2.182000      ?             ?      
1 1 1 10 49 40 o 1.077000       2.196000      ?             ?      
1 1 1 10 49 41 o 0.6248000      4.625000      ?             ?      
1 1 1 10 49 42 o 1.900000       1.742000      ?             ?      
1 1 1 10 49 43 o 1.416000       1.591000      ?             ?      
1 1 1 10 49 44 o 0.4909000      1.074000      ?             ?      
1 1 1 10 49 45 o 1.167000       1.016000      ?             ?      
1 1 1 10 49 46 o 2.173000       1.031000      ?             ?      
1 1 1 10 49 47 o -0.2970000E-03 1.270000      ?             ?      
1 1 1 10 49 48 o -0.3828000     0.7579000     ?             ?      
1 1 1 10 49 49 o -1.063000      0.9016000     ?             ?      
1 1 1 10 49 50 o -0.7713000     0.9241000     ?             ?      
1 1 1 10 49 51 o -0.5828000     1.958000      ?             ?      
1 1 1 10 50 0  o 0.1689000      1.558000      57.79048      180.0  
1 1 1 10 50 1  o -0.4356000     1.169000      41.47275      -8.2   
1 1 1 10 50 2  o 2.641000       1.108000      132.6779      111.8  
1 1 1 10 50 3  o 3.844000       0.9999000     157.0645      174.9  
1 1 1 10 50 4  o -0.6019000     1.039000      45.12410      77.4   
1 1 1 10 50 5  o -1.187000      0.9906000     161.7241      -102.3 
1 1 1 10 50 6  o 0.9434000      1.169000      119.0471      -30.0  
1 1 1 10 50 7  o 3.682000       1.034000      207.6238      -53.3  
1 1 1 10 50 8  o 1.252000       0.8120000     58.94004      -13.4  
1 1 1 10 50 9  o 4.296000       0.8406000     228.9184      -145.6 
1 1 1 10 50 10 o 2.111000       0.7899000     152.1275      33.4   
1 1 1 10 50 11 o 1.560000       0.9373000     224.8047      2.4    
1 1 1 10 50 12 o 0.9488000      0.9481000     184.0436      125.4  
1 1 1 10 50 13 o 4.392000       0.9466000     291.3336      127.6  
1 1 1 10 50 14 o 3.915000       1.775000      118.8876      68.7   
1 1 1 10 50 15 o 2.195000       1.382000      137.8647      -58.6  
1 1 1 10 50 16 o 5.750000       1.425000      218.2583      -92.1  
1 1 1 10 50 17 o 5.508000       1.419000      132.9628      -179.5 
1 1 1 10 50 18 o 0.4808000      1.418000      54.54331      -72.7  
1 1 1 10 50 19 o 4.811000       1.426000      107.2809      -96.1  
1 1 1 10 50 20 o 0.3488000      1.425000      ?             ?      
1 1 1 10 50 21 o -0.3216000     1.428000      ?             ?      
1 1 1 10 50 22 o 1.189000       1.447000      ?             ?      
1 1 1 10 50 23 o -0.4090000     1.916000      ?             ?      
1 1 1 10 50 24 o 2.417000       1.524000      ?             ?      
1 1 1 10 50 25 o 2.863000       2.051000      ?             ?      
1 1 1 10 50 26 o -0.3563000     2.067000      ?             ?      
1 1 1 10 50 27 o 4.346000       1.517000      ?             ?      
1 1 1 10 50 28 o 1.690000       1.500000      ?             ?      
1 1 1 10 50 29 o 1.710000       1.550000      ?             ?      
1 1 1 10 50 30 o 0.4896000E-01  1.511000      ?             ?      
1 1 1 10 50 31 o -1.496000      1.501000      ?             ?      
1 1 1 10 50 32 o 2.907000       1.502000      ?             ?      
1 1 1 10 50 33 o 1.371000       1.559000      ?             ?      
1 1 1 10 50 34 o -1.684000      1.544000      ?             ?      
1 1 1 10 50 35 o 1.228000       1.566000      ?             ?      
1 1 1 10 50 36 o 0.7294000      2.079000      ?             ?      
1 1 1 10 50 37 o 1.116000       1.558000      ?             ?      
1 1 1 10 50 38 o 3.198000       2.173000      ?             ?      
1 1 1 10 50 39 o -3.028000      2.106000      ?             ?      
1 1 1 10 50 40 o -2.037000      2.311000      ?             ?      
1 1 1 10 50 41 o 2.276000       2.339000      ?             ?      
1 1 1 10 50 42 o 2.338000       2.026000      ?             ?      
1 1 1 10 50 43 o 1.538000       2.062000      ?             ?      
1 1 1 10 50 44 f 1.615000       1.661000      ?             ?      
1 1 1 10 50 45 o -1.176000      1.289000      ?             ?      
1 1 1 10 50 46 o 0.1300000      1.306000      ?             ?      
1 1 1 10 50 47 o 0.6427000      1.058000      ?             ?      
1 1 1 10 50 48 o -0.9798000     1.266000      ?             ?      
1 1 1 10 50 49 o 0.9107000      1.267000      ?             ?      
1 1 1 10 50 50 o 0.3985000      1.192000      ?             ?      
1 1 1 10 51 0  o -0.2527000     1.329000      51.87189      180.0  
1 1 1 10 51 1  o -1.034000      1.218000      97.54607      -50.9  
1 1 1 10 51 2  o 1.858000       1.483000      98.74254      -37.6  
1 1 1 10 51 3  o 1.183000       1.118000      142.5459      178.8  
1 1 1 10 51 4  o 6.950000       1.070000      291.2416      88.3   
1 1 1 10 51 5  f 2.635000       0.9738000     130.3643      53.5   
1 1 1 10 51 6  o 5.442000       1.353000      127.3258      -110.8 
1 1 1 10 51 7  o 0.4016000      1.080000      31.27584      -157.3 
1 1 1 10 51 8  o 0.2137000      0.8635000     88.94023      153.8  
1 1 1 10 51 9  o -0.3493000     0.8323000     17.97999      -96.4  
1 1 1 10 51 10 o 4.032000       0.8192000     204.1693      111.7  
1 1 1 10 51 11 o 2.161000       0.9479000     74.92319      61.3   
1 1 1 10 51 12 o 2.765000       0.9270000     89.73853      -169.4 
1 1 1 10 51 13 o 0.1801000      0.8954000     49.82651      66.8   
1 1 1 10 51 14 o -0.9338000     1.694000      12.45547      78.9   
1 1 1 10 51 15 o 0.3527000      1.330000      142.1948      -36.4  
1 1 1 10 51 16 o 1.114000       1.358000      ?             ?      
1 1 1 10 51 17 o 0.9333000      1.372000      ?             ?      
1 1 1 10 51 18 o 3.018000       1.401000      ?             ?      
1 1 1 10 51 19 o -0.2943000     1.393000      ?             ?      
1 1 1 10 51 20 o 1.608000       1.414000      ?             ?      
1 1 1 10 51 21 o -0.2921000     1.414000      ?             ?      
1 1 1 10 51 22 o 4.771000       1.893000      ?             ?      
1 1 1 10 51 23 o 2.893000       1.919000      ?             ?      
1 1 1 10 51 24 o -1.694000      1.468000      ?             ?      
1 1 1 10 51 25 o 3.232000       2.076000      ?             ?      
1 1 1 10 51 26 o 1.944000       2.100000      ?             ?      
1 1 1 10 51 27 o 3.252000       1.493000      ?             ?      
1 1 1 10 51 28 o 2.982000       1.480000      ?             ?      
1 1 1 10 51 29 o -1.055000      1.450000      ?             ?      
1 1 1 10 51 30 o 0.5241000      1.491000      ?             ?      
1 1 1 10 51 31 o -2.612000      1.466000      ?             ?      
1 1 1 10 51 32 o 1.996000       1.511000      ?             ?      
1 1 1 10 51 33 o -2.593000      1.503000      ?             ?      
1 1 1 10 51 34 o 0.5620000      1.514000      ?             ?      
1 1 1 10 51 35 o -3.164000      1.521000      ?             ?      
1 1 1 10 51 36 o 3.136000       1.556000      ?             ?      
1 1 1 10 51 37 o -0.7228000     1.573000      ?             ?      
1 1 1 10 51 38 o -2.047000      2.102000      ?             ?      
1 1 1 10 51 39 o 0.2023000      2.088000      ?             ?      
1 1 1 10 51 40 o -0.8300000     2.238000      ?             ?      
1 1 1 10 51 41 o 2.708000       2.316000      ?             ?      
1 1 1 10 51 42 o -0.5152000     1.614000      ?             ?      
1 1 1 10 51 43 o 1.025000       2.389000      ?             ?      
1 1 1 10 51 44 o 3.835000       2.727000      ?             ?      
1 1 1 10 51 45 < 0.000000       -1.000000     ?             ?      
1 1 1 10 51 46 o -2.047000      2.431000      ?             ?      
1 1 1 10 51 47 o -0.5332000     1.311000      ?             ?      
1 1 1 10 51 48 o -0.9000000E-01 2.518000      ?             ?      
1 1 1 10 52 0  o 2.317000       1.380000      104.5427      -0.0   
1 1 1 10 52 1  o 4.027000       1.108000      123.8141      156.8  
1 1 1 10 52 2  o 0.5099000      1.060000      46.96920      -60.4  
1 1 1 10 52 3  o 1.600000       0.9622000     117.6576      -114.1 
1 1 1 10 52 4  o -0.3530000     1.021000      55.59521      -74.8  
1 1 1 10 52 5  o 0.2986000      0.9563000     6.608418      -123.3 
1 1 1 10 52 6  o -0.5131000     1.144000      74.45582      -112.0 
1 1 1 10 52 7  o 2.117000       1.145000      113.6704      -42.1  
1 1 1 10 52 8  o -0.3393000     0.8379000     22.95437      89.4   
1 1 1 10 52 9  o 1.042000       0.8129000     112.9375      -166.7 
1 1 1 10 52 10 o 1.568000       0.7882000     115.6279      16.8   
1 1 1 10 52 11 o -0.9163000     0.9097000     ?             ?      
1 1 1 10 52 12 o -0.7788000     0.8821000     ?             ?      
1 1 1 10 52 13 o -0.7446000E-02 1.240000      ?             ?      
1 1 1 10 52 14 o 1.299000       1.656000      ?             ?      
1 1 1 10 52 15 o -0.7473000     1.304000      ?             ?      
1 1 1 10 52 16 o -0.5648000     1.328000      ?             ?      
1 1 1 10 52 17 o 1.349000       1.319000      ?             ?      
1 1 1 10 52 18 f 0.3308000      1.347000      ?             ?      
1 1 1 10 52 19 o -0.3368000     1.338000      ?             ?      
1 1 1 10 52 20 o 0.4966000E-01  1.364000      ?             ?      
1 1 1 10 52 21 o -1.660000      1.375000      ?             ?      
1 1 1 10 52 22 o -0.9813000     1.853000      ?             ?      
1 1 1 10 52 23 o 0.4319000      1.443000      ?             ?      
1 1 1 10 52 24 o 2.849000       2.090000      ?             ?      
1 1 1 10 52 25 o -2.253000      2.016000      ?             ?      
1 1 1 10 52 26 o 0.3421000      1.823000      ?             ?      
1 1 1 10 52 27 o -1.773000      1.827000      ?             ?      
1 1 1 10 52 28 o 2.263000       1.853000      ?             ?      
1 1 1 10 52 29 o -0.6159000     1.874000      ?             ?      
1 1 1 10 52 30 o 0.5991000      1.865000      ?             ?      
1 1 1 10 52 31 o -1.597000      1.834000      ?             ?      
1 1 1 10 52 32 o -1.764000      1.853000      ?             ?      
1 1 1 10 52 33 o 3.393000       1.924000      ?             ?      
1 1 1 10 52 34 o 2.058000       1.881000      ?             ?      
1 1 1 10 52 35 o 1.646000       1.928000      ?             ?      
1 1 1 10 52 36 o -0.2362000     1.531000      ?             ?      
1 1 1 10 52 37 o 2.502000       2.101000      ?             ?      
1 1 1 10 52 38 o 1.315000       2.134000      ?             ?      
1 1 1 10 52 39 o 1.055000       2.252000      ?             ?      
1 1 1 10 52 40 o -1.644000      2.244000      ?             ?      
1 1 1 10 52 41 o 1.757000       2.158000      ?             ?      
1 1 1 10 52 42 o 1.361000       1.050000      ?             ?      
1 1 1 10 52 43 o 0.1973000      1.056000      ?             ?      
1 1 1 10 52 44 o 1.064000       1.063000      ?             ?      
1 1 1 10 52 45 o 0.1886000      1.237000      ?             ?      
1 1 1 10 52 46 o -1.005000      2.775000      ?             ?      
1 1 1 10 52 47 o 5.292000       2.811000      ?             ?      
1 1 1 10 53 0  o 1.866000       1.365000      ?             ?      
1 1 1 10 53 1  o 3.737000       0.9876000     ?             ?      
1 1 1 10 53 2  o 5.598000       0.9909000     ?             ?      
1 1 1 10 53 3  o 1.434000       0.9428000     ?             ?      
1 1 1 10 53 4  o 0.7891000      1.132000      ?             ?      
1 1 1 10 53 5  o 0.2411000      0.9417000     ?             ?      
1 1 1 10 53 6  o -0.5606000     1.051000      ?             ?      
1 1 1 10 53 7  o 0.6269000E-02  1.099000      ?             ?      
1 1 1 10 53 8  o 2.113000       1.006000      ?             ?      
1 1 1 10 53 9  o 1.795000       0.7759000     ?             ?      
1 1 1 10 53 10 o 0.7742000      0.7619000     ?             ?      
1 1 1 10 53 11 o -1.031000      0.8898000     ?             ?      
1 1 1 10 53 12 o -0.9206000E-01 0.8477000     ?             ?      
1 1 1 10 53 13 o -0.5609000     1.224000      ?             ?      
1 1 1 10 53 14 o 0.1598000      1.895000      ?             ?      
1 1 1 10 53 15 o 0.4849000      1.288000      ?             ?      
1 1 1 10 53 16 o -0.6866000     1.300000      ?             ?      
1 1 1 10 53 17 o -0.1808000     1.303000      ?             ?      
1 1 1 10 53 18 o 1.815000       1.339000      ?             ?      
1 1 1 10 53 19 o 0.8685000      1.361000      ?             ?      
1 1 1 10 53 20 o 1.886000       1.372000      ?             ?      
1 1 1 10 53 21 o -0.9126000     1.798000      ?             ?      
1 1 1 10 53 22 o -0.4448000E-01 1.829000      ?             ?      
1 1 1 10 53 23 o -0.6420000     2.626000      ?             ?      
1 1 1 10 53 24 o 2.194000       2.561000      ?             ?      
1 1 1 10 53 25 o 4.270000       2.334000      ?             ?      
1 1 1 10 53 26 o -0.9461000E-01 1.797000      ?             ?      
1 1 1 10 53 27 o -2.298000      1.829000      ?             ?      
1 1 1 10 53 28 o -0.5032000E-01 1.833000      ?             ?      
1 1 1 10 53 29 o 1.882000       1.861000      ?             ?      
1 1 1 10 53 30 o -2.321000      1.836000      ?             ?      
1 1 1 10 53 31 o 4.435000       1.898000      ?             ?      
1 1 1 10 53 32 o 0.2968000      1.860000      ?             ?      
1 1 1 10 53 33 o -0.2707000     1.889000      ?             ?      
1 1 1 10 53 34 o 1.286000       1.899000      ?             ?      
1 1 1 10 53 35 o 2.416000       1.918000      ?             ?      
1 1 1 10 53 36 o 2.244000       1.945000      ?             ?      
1 1 1 10 53 37 o -3.854000      2.349000      ?             ?      
1 1 1 10 53 38 o -0.4080000     3.042000      ?             ?      
1 1 1 10 53 39 o 2.619000       2.593000      ?             ?      
1 1 1 10 53 40 o 2.285000       2.621000      ?             ?      
1 1 1 10 53 41 o 0.4799000      0.9776000     ?             ?      
1 1 1 10 53 42 o -0.2166000     1.013000      ?             ?      
1 1 1 10 53 43 o -0.9255000     1.024000      ?             ?      
1 1 1 10 53 44 o -1.133000      1.050000      ?             ?      
1 1 1 10 53 45 o 2.580000       1.088000      ?             ?      
1 1 1 10 54 0  o 1.055000       1.321000      ?             ?      
1 1 1 10 54 1  o 1.332000       0.9435000     ?             ?      
1 1 1 10 54 2  o -0.5179000     0.9201000     ?             ?      
1 1 1 10 54 3  o 0.7122000      0.8823000     ?             ?      
1 1 1 10 54 4  o 3.669000       1.062000      ?             ?      
1 1 1 10 54 5  o 1.436000       0.9329000     ?             ?      
1 1 1 10 54 6  o 2.141000       0.9559000     ?             ?      
1 1 1 10 54 7  o 4.869000       1.137000      ?             ?      
1 1 1 10 54 8  o 1.586000       0.9958000     ?             ?      
1 1 1 10 54 9  o 0.5235000      0.7892000     ?             ?      
1 1 1 10 54 10 o 0.9028000      0.7210000     ?             ?      
1 1 1 10 54 11 o -1.206000      0.8744000     ?             ?      
1 1 1 10 54 12 o -0.5781000     1.063000      ?             ?      
1 1 1 10 54 13 o 1.281000       0.7250000     ?             ?      
1 1 1 10 54 14 o 3.715000       2.124000      ?             ?      
1 1 1 10 54 15 o 1.714000       1.322000      ?             ?      
1 1 1 10 54 16 o 1.657000       1.349000      ?             ?      
1 1 1 10 54 17 o -1.890000      1.333000      ?             ?      
1 1 1 10 54 18 o 0.1425000      1.344000      ?             ?      
1 1 1 10 54 19 o 0.3278000      1.342000      ?             ?      
1 1 1 10 54 20 o 1.940000       1.372000      ?             ?      
1 1 1 10 54 21 o -0.6830000     1.841000      ?             ?      
1 1 1 10 54 22 o 0.1582000      1.436000      ?             ?      
1 1 1 10 54 23 o -6.445000      2.507000      ?             ?      
1 1 1 10 54 24 o 0.9997000      2.320000      ?             ?      
1 1 1 10 54 25 o 1.719000       1.783000      ?             ?      
1 1 1 10 54 26 o -1.141000      1.790000      ?             ?      
1 1 1 10 54 27 o 1.590000       1.816000      ?             ?      
1 1 1 10 54 28 o 0.7487000E-01  1.806000      ?             ?      
1 1 1 10 54 29 o 0.2546000      1.849000      ?             ?      
1 1 1 10 54 30 o 1.546000       1.875000      ?             ?      
1 1 1 10 54 31 o -0.6519000     1.868000      ?             ?      
1 1 1 10 54 32 o -0.3983000     1.911000      ?             ?      
1 1 1 10 54 33 o 0.7792000      1.922000      ?             ?      
1 1 1 10 54 34 o -0.4856000E-01 1.951000      ?             ?      
1 1 1 10 54 35 o -2.327000      1.906000      ?             ?      
1 1 1 10 54 36 o -0.1278000     2.346000      ?             ?      
1 1 1 10 54 39 o 1.526000       2.675000      ?             ?      
1 1 1 10 54 40 < 0.000000       -1.000000     ?             ?      
1 1 1 10 54 41 o -1.846000      2.712000      ?             ?      
1 1 1 10 54 42 o 3.277000       2.778000      ?             ?      
1 1 1 10 54 43 o 0.3530000      0.9784000     ?             ?      
1 1 1 10 54 44 o -0.6588000     1.024000      ?             ?      
1 1 1 10 55 0  o 0.3109000E-01  1.258000      ?             ?      
1 1 1 10 55 1  o -0.7224000     0.8951000     ?             ?      
1 1 1 10 55 2  o 3.639000       0.9369000     ?             ?      
1 1 1 10 55 3  o 3.344000       1.083000      ?             ?      
1 1 1 10 55 4  o 1.526000       1.080000      ?             ?      
1 1 1 10 55 5  o -0.2503000     0.8772000     ?             ?      
1 1 1 10 55 6  o -0.6391000E-02 0.9086000     ?             ?      
1 1 1 10 55 7  o 0.8029000      1.066000      ?             ?      
1 1 1 10 55 8  o 0.9361000      0.8687000     ?             ?      
1 1 1 10 55 9  o 0.2686000      0.7040000     ?             ?      
1 1 1 10 55 10 o -0.7431000E-01 0.6877000     ?             ?      
1 1 1 10 55 11 o -0.4538000     0.8545000     ?             ?      
1 1 1 10 55 12 o 2.379000       0.8248000     ?             ?      
1 1 1 10 55 13 o -1.349000      2.008000      ?             ?      
1 1 1 10 55 14 o 1.647000       1.636000      ?             ?      
1 1 1 10 55 15 o -1.478000      1.726000      ?             ?      
1 1 1 10 55 16 o 0.4841000      1.012000      ?             ?      
1 1 1 10 55 17 o -0.9102000     0.9570000     ?             ?      
1 1 1 10 55 18 o -4.368000      1.982000      ?             ?      
1 1 1 10 55 19 o -3.594000      1.370000      ?             ?      
1 1 1 10 55 20 o 1.847000       1.861000      ?             ?      
1 1 1 10 55 21 o -0.7599000     1.870000      ?             ?      
1 1 1 10 55 22 o -2.319000      2.622000      ?             ?      
1 1 1 10 55 23 o -0.9520000     2.514000      ?             ?      
1 1 1 10 55 24 o 8.292000       2.425000      ?             ?      
1 1 1 10 55 25 o -0.5437000     1.779000      ?             ?      
1 1 1 10 55 26 o 0.3740000      1.783000      ?             ?      
1 1 1 10 55 27 o -1.381000      1.817000      ?             ?      
1 1 1 10 55 28 o 1.930000       1.866000      ?             ?      
1 1 1 10 55 29 o -0.6579000     1.837000      ?             ?      
1 1 1 10 55 30 o 1.774000       1.864000      ?             ?      
1 1 1 10 55 31 o -2.900000      1.869000      ?             ?      
1 1 1 10 55 32 o 2.165000       1.934000      ?             ?      
1 1 1 10 55 33 o -4.122000      1.938000      ?             ?      
1 1 1 10 55 34 o 1.458000       1.940000      ?             ?      
1 1 1 10 55 35 o -1.357000      2.477000      ?             ?      
1 1 1 10 55 36 o 0.5479000      2.555000      ?             ?      
1 1 1 10 55 38 o -2.936000      2.639000      ?             ?      
1 1 1 10 55 39 o -0.3710000     2.593000      ?             ?      
1 1 1 10 55 40 o -2.902000      2.699000      ?             ?      
1 1 1 10 55 41 o -2.625000      2.697000      ?             ?      
1 1 1 10 56 0  o -0.9430000     1.204000      ?             ?      
1 1 1 10 56 1  o 1.877000       0.8676000     ?             ?      
1 1 1 10 56 2  o 1.132000       0.9451000     ?             ?      
1 1 1 10 56 3  o 2.198000       0.8837000     ?             ?      
1 1 1 10 56 4  o 1.241000       1.044000      ?             ?      
1 1 1 10 56 5  o 1.578000       0.8803000     ?             ?      
1 1 1 10 56 6  o 2.849000       0.9831000     ?             ?      
1 1 1 10 56 7  o 1.378000       1.078000      ?             ?      
1 1 1 10 56 8  o 1.961000       0.8565000     ?             ?      
1 1 1 10 56 9  o 0.1321000      0.6879000     ?             ?      
1 1 1 10 56 10 o -0.2390000     0.6704000     ?             ?      
1 1 1 10 56 11 o -0.1340000     0.8245000     ?             ?      
1 1 1 10 56 12 o -1.328000      0.7691000     ?             ?      
1 1 1 10 56 13 o -0.5252000     1.580000      ?             ?      
1 1 1 10 56 14 o 1.000000       1.625000      ?             ?      
1 1 1 10 56 15 o -0.1495000E-01 1.343000      ?             ?      
1 1 1 10 56 16 o 1.996000       1.355000      ?             ?      
1 1 1 10 56 17 o -0.6162000     1.336000      ?             ?      
1 1 1 10 56 18 o -0.3489000     1.378000      ?             ?      
1 1 1 10 56 19 o -1.271000      0.9379000     ?             ?      
1 1 1 10 56 20 o 0.1269000      0.9217000     ?             ?      
1 1 1 10 56 21 o -0.3093000     3.601000      ?             ?      
1 1 1 10 56 22 o 2.941000       2.523000      ?             ?      
1 1 1 10 56 23 o 0.4648000      2.310000      ?             ?      
1 1 1 10 56 24 o -0.1602000     2.011000      ?             ?      
1 1 1 10 56 25 o 0.6139000E-02  2.028000      ?             ?      
1 1 1 10 56 26 o 2.126000       2.087000      ?             ?      
1 1 1 10 56 27 o 2.036000       1.862000      ?             ?      
1 1 1 10 56 28 o -0.7516000     1.853000      ?             ?      
1 1 1 10 56 29 o 0.7078000      1.860000      ?             ?      
1 1 1 10 56 30 o 0.1903000      1.877000      ?             ?      
1 1 1 10 56 31 o 2.991000       1.899000      ?             ?      
1 1 1 10 56 32 o -0.6718000     1.895000      ?             ?      
1 1 1 10 56 33 f -1.356000      2.451000      ?             ?      
1 1 1 10 56 34 o 3.915000       2.545000      ?             ?      
1 1 1 10 56 35 o -1.816000      2.530000      ?             ?      
1 1 1 10 56 38 o -2.971000      2.561000      ?             ?      
1 1 1 10 56 39 o 4.029000       2.654000      ?             ?      
1 1 1 10 56 40 < 0.000000       -1.000000     ?             ?      
1 1 1 10 57 0  o -0.5878000     1.196000      ?             ?      
1 1 1 10 57 1  o 0.3676000      0.8450000     ?             ?      
1 1 1 10 57 2  o 0.8683000      0.9104000     ?             ?      
1 1 1 10 57 3  o 3.258000       0.9378000     ?             ?      
1 1 1 10 57 4  o 0.6973000      1.034000      ?             ?      
1 1 1 10 57 5  o 1.110000       0.7893000     ?             ?      
1 1 1 10 57 6  o 3.113000       0.9547000     ?             ?      
1 1 1 10 57 7  o 2.045000       1.132000      ?             ?      
1 1 1 10 57 8  o -0.8564000     0.8256000     ?             ?      
1 1 1 10 57 9  o 0.4087000      0.6684000     ?             ?      
1 1 1 10 57 10 o 1.025000       0.8453000     ?             ?      
1 1 1 10 57 11 o 0.6975000E-01  0.8251000     ?             ?      
1 1 1 10 57 12 o 0.7209000      0.9476000     ?             ?      
1 1 1 10 57 13 o 3.484000       1.606000      ?             ?      
1 1 1 10 57 14 o -2.136000      1.560000      ?             ?      
1 1 1 10 57 15 o 0.4141000      1.290000      ?             ?      
1 1 1 10 57 16 o 0.7232000      1.307000      ?             ?      
1 1 1 10 57 17 o -0.7878000     1.327000      ?             ?      
1 1 1 10 57 18 o 0.4102000      1.343000      ?             ?      
1 1 1 10 57 19 o -0.8712000     1.780000      ?             ?      
1 1 1 10 57 20 o 0.3991000E-01  1.849000      ?             ?      
1 1 1 10 57 21 o 2.085000       2.648000      ?             ?      
1 1 1 10 57 22 o 0.4633000      2.511000      ?             ?      
1 1 1 10 57 23 o -1.118000      2.322000      ?             ?      
1 1 1 10 57 24 o 1.047000       2.361000      ?             ?      
1 1 1 10 57 25 o -1.060000      2.316000      ?             ?      
1 1 1 10 57 26 o -0.3564000     2.399000      ?             ?      
1 1 1 10 57 27 o 4.437000       1.897000      ?             ?      
1 1 1 10 57 28 o -0.4295000     2.090000      ?             ?      
1 1 1 10 57 29 o 1.783000       2.115000      ?             ?      
1 1 1 10 57 30 o -4.816000      3.098000      ?             ?      
1 1 1 10 57 31 o -2.081000      2.441000      ?             ?      
1 1 1 10 57 32 o 1.042000       2.490000      ?             ?      
1 1 1 10 57 33 < 0.000000       -1.000000     ?             ?      
1 1 1 10 57 34 o 0.7524000      2.575000      ?             ?      
1 1 1 10 57 35 o 0.2551000      2.687000      ?             ?      
1 1 1 10 57 37 o -5.168000      2.626000      ?             ?      
1 1 1 10 57 38 o 2.012000       2.650000      ?             ?      
1 1 1 10 58 0  o 7.866000       1.324000      ?             ?      
1 1 1 10 58 1  o 0.4880000      0.8722000     ?             ?      
1 1 1 10 58 2  o -1.196000      0.9546000     ?             ?      
1 1 1 10 58 3  o 1.531000       0.9120000     ?             ?      
1 1 1 10 58 4  o -0.4908000     0.9531000     ?             ?      
1 1 1 10 58 5  o 0.8008000      0.7643000     ?             ?      
1 1 1 10 58 6  o 0.2905000      0.9338000     ?             ?      
1 1 1 10 58 7  o 5.608000       1.863000      ?             ?      
1 1 1 10 58 8  o -0.2765000     0.7778000     ?             ?      
1 1 1 10 58 9  o 0.8445000      0.6612000     ?             ?      
1 1 1 10 58 10 o 0.2399000      0.8388000     ?             ?      
1 1 1 10 58 11 o 1.989000       0.8122000     ?             ?      
1 1 1 10 58 12 o 1.469000       0.9398000     ?             ?      
1 1 1 10 58 13 o 0.7741000E-02  1.563000      ?             ?      
1 1 1 10 58 14 o 3.069000       1.602000      ?             ?      
1 1 1 10 58 15 o 0.2098000      1.316000      ?             ?      
1 1 1 10 58 16 o -0.9273000     1.304000      ?             ?      
1 1 1 10 58 17 o -0.2279000E-02 1.324000      ?             ?      
1 1 1 10 58 18 o -1.149000      1.328000      ?             ?      
1 1 1 10 58 19 o 4.409000       1.858000      ?             ?      
1 1 1 10 58 20 o -2.429000      2.508000      ?             ?      
1 1 1 10 58 21 o -1.612000      2.063000      ?             ?      
1 1 1 10 58 22 o 3.851000       2.369000      ?             ?      
1 1 1 10 58 23 o -1.222000      2.257000      ?             ?      
1 1 1 10 58 24 o 3.540000       2.311000      ?             ?      
1 1 1 10 58 25 o -3.762000      1.824000      ?             ?      
1 1 1 10 58 26 o 1.794000       2.214000      ?             ?      
1 1 1 10 58 27 o 0.7906000      2.373000      ?             ?      
1 1 1 10 58 28 o 2.791000       2.422000      ?             ?      
1 1 1 10 58 29 o 1.819000       2.430000      ?             ?      
1 1 1 10 58 30 o 3.090000       2.444000      ?             ?      
1 1 1 10 58 31 o -0.7554000     2.512000      ?             ?      
1 1 1 10 58 32 o -0.2740000     3.239000      ?             ?      
1 1 1 10 58 33 o -2.421000      3.261000      ?             ?      
1 1 1 10 58 34 o 0.4897000      3.302000      ?             ?      
1 1 1 10 58 36 < 0.000000       -1.000000     ?             ?      
1 1 1 10 59 0  o 0.5616000      1.225000      ?             ?      
1 1 1 10 59 1  o 1.819000       0.8703000     ?             ?      
1 1 1 10 59 2  o 1.842000       0.8934000     ?             ?      
1 1 1 10 59 3  o -0.5100000     1.037000      ?             ?      
1 1 1 10 59 4  o -0.4156000     0.8425000     ?             ?      
1 1 1 10 59 5  o -0.4822000     0.7523000     ?             ?      
1 1 1 10 59 6  o 0.4930000      0.9108000     ?             ?      
1 1 1 10 59 7  o 1.122000       0.9364000     ?             ?      
1 1 1 10 59 8  o -0.7459000     0.7594000     ?             ?      
1 1 1 10 59 9  o 1.944000       0.6649000     ?             ?      
1 1 1 10 59 10 o 0.3775000      0.8453000     ?             ?      
1 1 1 10 59 11 o -0.3464000     0.7953000     ?             ?      
1 1 1 10 59 12 o -1.844000      1.298000      ?             ?      
1 1 1 10 59 13 o -0.8088000     1.552000      ?             ?      
1 1 1 10 59 14 o 0.4747000      1.577000      ?             ?      
1 1 1 10 59 15 o -2.485000      1.285000      ?             ?      
1 1 1 10 59 16 o 1.359000       1.331000      ?             ?      
1 1 1 10 59 17 o -2.431000      1.308000      ?             ?      
1 1 1 10 59 18 o 0.2352000      1.824000      ?             ?      
1 1 1 10 59 19 o 2.957000       2.481000      ?             ?      
1 1 1 10 59 20 o 0.1449000      2.608000      ?             ?      
1 1 1 10 59 21 o -1.216000      2.487000      ?             ?      
1 1 1 10 59 22 o -4.063000      2.268000      ?             ?      
1 1 1 10 59 23 o 1.275000       2.373000      ?             ?      
1 1 1 10 59 24 o 2.604000       2.399000      ?             ?      
1 1 1 10 59 25 o -1.505000      2.352000      ?             ?      
1 1 1 10 59 26 o -0.6501000     2.415000      ?             ?      
1 1 1 10 59 27 o -0.4908000     3.732000      ?             ?      
1 1 1 10 59 28 o 1.915000       3.704000      ?             ?      
1 1 1 10 59 29 o 0.4259000      2.529000      ?             ?      
1 1 1 10 59 30 o 1.642000       2.511000      ?             ?      
1 1 1 10 59 31 o -1.452000      2.517000      ?             ?      
1 1 1 10 59 32 o -3.935000      2.515000      ?             ?      
1 1 1 10 59 33 o -1.771000      2.554000      ?             ?      
1 1 1 10 59 34 < 0.000000       -1.000000     ?             ?      
1 1 1 10 60 0  o -0.5698000     1.164000      ?             ?      
1 1 1 10 60 1  o -0.8133000E-01 0.8329000     ?             ?      
1 1 1 10 60 2  o 1.114000       0.8495000     ?             ?      
1 1 1 10 60 3  o 2.450000       1.103000      ?             ?      
1 1 1 10 60 4  o 1.717000       0.7803000     ?             ?      
1 1 1 10 60 5  o 0.4727000      0.7887000     ?             ?      
1 1 1 10 60 6  o 0.9238000      0.9071000     ?             ?      
1 1 1 10 60 7  o -1.288000      0.9203000     ?             ?      
1 1 1 10 60 8  o 0.8148000      0.7669000     ?             ?      
1 1 1 10 60 9  o -1.058000      0.6545000     ?             ?      
1 1 1 10 60 10 o -1.215000      0.8482000     ?             ?      
1 1 1 10 60 11 o 1.240000       0.7918000     ?             ?      
1 1 1 10 60 12 o 0.1456000      1.287000      ?             ?      
1 1 1 10 60 13 o -0.7890000E-02 1.548000      ?             ?      
1 1 1 10 60 14 o -0.5438000     1.363000      ?             ?      
1 1 1 10 60 15 o 3.120000       1.320000      ?             ?      
1 1 1 10 60 16 o 1.405000       1.327000      ?             ?      
1 1 1 10 60 17 o 5.950000       1.795000      ?             ?      
1 1 1 10 60 18 o -2.427000      2.027000      ?             ?      
1 1 1 10 60 19 o 0.3650000E-01  2.437000      ?             ?      
1 1 1 10 60 20 o 1.834000       2.332000      ?             ?      
1 1 1 10 60 21 o -1.654000      2.389000      ?             ?      
1 1 1 10 60 22 o 1.197000       2.179000      ?             ?      
1 1 1 10 60 23 o -1.550000      2.363000      ?             ?      
1 1 1 10 60 24 o 3.329000       2.436000      ?             ?      
1 1 1 10 60 25 < 0.000000       -1.000000     ?             ?      
1 1 1 10 60 26 o 0.2520000E-01  2.396000      ?             ?      
1 1 1 10 60 27 o 0.1746000      2.446000      ?             ?      
1 1 1 10 60 28 o 3.767000       2.450000      ?             ?      
1 1 1 10 60 29 o 0.8397000      2.469000      ?             ?      
1 1 1 10 60 30 o -5.211000      2.511000      ?             ?      
1 1 1 10 60 31 o -0.2652000     3.843000      ?             ?      
1 1 1 10 60 32 o 2.319000       3.914000      ?             ?      
1 1 1 10 61 0  o 0.7836000      1.167000      ?             ?      
1 1 1 10 61 1  o 0.4457000E-01  0.8592000     ?             ?      
1 1 1 10 61 2  o 1.547000       0.9115000     ?             ?      
1 1 1 10 61 3  o 1.705000       1.124000      ?             ?      
1 1 1 10 61 4  o 0.4804000      0.7980000     ?             ?      
1 1 1 10 61 5  o 0.6166000      0.8094000     ?             ?      
1 1 1 10 61 6  o -0.2110000     0.9221000     ?             ?      
1 1 1 10 61 7  o 0.4103000      0.9691000     ?             ?      
1 1 1 10 61 8  o 0.6396000      0.7944000     ?             ?      
1 1 1 10 61 9  o 1.005000       0.6758000     ?             ?      
1 1 1 10 61 10 o 1.947000       0.9365000     ?             ?      
1 1 1 10 61 11 o -0.3895000     0.8246000     ?             ?      
1 1 1 10 61 12 o 0.6221000      1.660000      ?             ?      
1 1 1 10 61 13 o -0.1643000     1.830000      ?             ?      
1 1 1 10 61 14 o 4.650000       1.725000      ?             ?      
1 1 1 10 61 15 o -0.6989000     1.595000      ?             ?      
1 1 1 10 61 16 o -0.1464000E-01 1.657000      ?             ?      
1 1 1 10 61 17 o 1.014000       1.677000      ?             ?      
1 1 1 10 61 18 o -1.281000      2.354000      ?             ?      
1 1 1 10 61 19 o -0.4228000E-01 3.306000      ?             ?      
1 1 1 10 61 20 o -4.507000      2.945000      ?             ?      
1 1 1 10 61 21 o -1.070000      2.302000      ?             ?      
1 1 1 10 61 22 o 5.977000       2.157000      ?             ?      
1 1 1 10 61 23 o 1.469000       2.175000      ?             ?      
1 1 1 10 61 24 o -0.1701000     2.180000      ?             ?      
1 1 1 10 61 25 o 0.2980000      2.197000      ?             ?      
1 1 1 10 61 26 o 0.6562000E-01  2.219000      ?             ?      
1 1 1 10 61 27 o 3.012000       2.304000      ?             ?      
1 1 1 10 61 28 o -1.009000      2.237000      ?             ?      
1 1 1 10 61 29 o 1.061000       2.295000      ?             ?      
1 1 1 10 62 0  o 0.8165000      1.176000      ?             ?      
1 1 1 10 62 1  o 0.7222000      0.8617000     ?             ?      
1 1 1 10 62 2  o -0.5616000     0.9052000     ?             ?      
1 1 1 10 62 3  o 1.401000       1.127000      ?             ?      
1 1 1 10 62 4  o -0.1512000     0.7995000     ?             ?      
1 1 1 10 62 5  o 0.9568000      0.9380000     ?             ?      
1 1 1 10 62 6  o -0.6015000     0.8622000     ?             ?      
1 1 1 10 62 7  o 2.767000       0.9294000     ?             ?      
1 1 1 10 62 8  o 1.066000       0.7922000     ?             ?      
1 1 1 10 62 9  o 1.786000       0.6750000     ?             ?      
1 1 1 10 62 10 o 1.793000       0.9731000     ?             ?      
1 1 1 10 62 11 o 2.018000       1.074000      ?             ?      
1 1 1 10 62 12 o 1.330000       1.685000      ?             ?      
1 1 1 10 62 13 o 1.626000       1.888000      ?             ?      
1 1 1 10 62 14 o 0.8294000      1.751000      ?             ?      
1 1 1 10 62 15 o -0.2483000     1.667000      ?             ?      
1 1 1 10 62 16 o 1.909000       1.746000      ?             ?      
1 1 1 10 62 17 o 2.819000       1.760000      ?             ?      
1 1 1 10 62 18 o 0.2580000      2.401000      ?             ?      
1 1 1 10 62 19 o 0.6255000      2.242000      ?             ?      
1 1 1 10 62 20 o 0.6440000      3.052000      ?             ?      
1 1 1 10 62 21 o -2.269000      2.092000      ?             ?      
1 1 1 10 62 22 o 1.504000       2.103000      ?             ?      
1 1 1 10 62 23 o -0.5131000     2.114000      ?             ?      
1 1 1 10 62 24 o 4.174000       2.209000      ?             ?      
1 1 1 10 62 25 o 1.186000       2.165000      ?             ?      
1 1 1 10 62 26 o 1.721000       3.587000      ?             ?      
1 1 1 10 63 0  o 1.982000       1.203000      ?             ?      
1 1 1 10 63 1  o 2.241000       0.8732000     ?             ?      
1 1 1 10 63 2  o -0.4268000     0.9070000     ?             ?      
1 1 1 10 63 3  o 0.5350000      0.9838000     ?             ?      
1 1 1 10 63 4  o 0.1971000E-01  0.8041000     ?             ?      
1 1 1 10 63 5  o -0.1147000     0.8364000     ?             ?      
1 1 1 10 63 6  o 0.4701000E-01  0.8951000     ?             ?      
1 1 1 10 63 7  o 0.6741000      0.9062000     ?             ?      
1 1 1 10 63 8  o -0.1219000     0.7765000     ?             ?      
1 1 1 10 63 9  o 0.2695000      0.6716000     ?             ?      
1 1 1 10 63 10 o 1.090000       0.8888000     ?             ?      
1 1 1 10 63 11 f 1.637000       0.9457000     ?             ?      
1 1 1 10 63 12 o -0.1775000     1.875000      ?             ?      
1 1 1 10 63 13 o 2.032000       1.905000      ?             ?      
1 1 1 10 63 14 o -1.784000      1.699000      ?             ?      
1 1 1 10 63 15 o 0.7632000      1.740000      ?             ?      
1 1 1 10 63 16 f 0.3037000      1.744000      ?             ?      
1 1 1 10 63 17 o 2.248000       2.439000      ?             ?      
1 1 1 10 63 18 o -1.931000      3.420000      ?             ?      
1 1 1 10 63 19 o 1.960000       2.953000      ?             ?      
1 1 1 10 63 20 o 1.363000       2.361000      ?             ?      
1 1 1 10 63 21 o 1.948000       3.551000      ?             ?      
1 1 1 10 63 22 o 1.111000       2.147000      ?             ?      
1 1 1 10 63 23 o -0.1513000     3.575000      ?             ?      
1 1 1 10 64 0  o 0.8883000E-02  1.198000      ?             ?      
1 1 1 10 64 1  o -0.2487000     0.8748000     ?             ?      
1 1 1 10 64 2  o -1.231000      1.040000      ?             ?      
1 1 1 10 64 3  o -0.9902000     0.9588000     ?             ?      
1 1 1 10 64 4  o -0.3631000     0.8394000     ?             ?      
1 1 1 10 64 5  o 0.1040000      0.8331000     ?             ?      
1 1 1 10 64 6  o -0.8923000     0.9058000     ?             ?      
1 1 1 10 64 7  o 1.209000       0.8364000     ?             ?      
1 1 1 10 64 8  o -0.4065000     0.8760000     ?             ?      
1 1 1 10 64 9  o -0.1849000     0.8592000     ?             ?      
1 1 1 10 64 10 o -0.6206000     0.8576000     ?             ?      
1 1 1 10 64 11 o -1.308000      1.723000      ?             ?      
1 1 1 10 64 12 o -3.288000      1.886000      ?             ?      
1 1 1 10 64 13 o -2.734000      1.926000      ?             ?      
1 1 1 10 64 14 o -0.3028000     1.708000      ?             ?      
1 1 1 10 64 15 o 1.407000       1.732000      ?             ?      
1 1 1 10 64 16 o -0.8359000E-01 1.750000      ?             ?      
1 1 1 10 64 17 o 0.7125000      2.440000      ?             ?      
1 1 1 10 64 18 o 0.4236000      2.347000      ?             ?      
1 1 1 10 64 19 < 0.000000       -1.000000     ?             ?      
1 1 1 10 65 0  o -0.5596000     1.303000      ?             ?      
1 1 1 10 65 1  o 0.9075000      0.9279000     ?             ?      
1 1 1 10 65 2  o 1.919000       1.059000      ?             ?      
1 1 1 10 65 3  o 0.3784000      0.8263000     ?             ?      
1 1 1 10 65 4  o -0.4564000     0.8404000     ?             ?      
1 1 1 10 65 5  o 0.4884000      0.8336000     ?             ?      
1 1 1 10 65 6  o 1.812000       1.021000      ?             ?      
1 1 1 10 65 7  o 2.146000       0.8414000     ?             ?      
1 1 1 10 65 8  o 0.9395000      0.6948000     ?             ?      
1 1 1 10 65 9  f -0.8439000     0.8977000     ?             ?      
1 1 1 10 65 10 o 0.5984000      1.130000      ?             ?      
1 1 1 10 65 11 f -1.269000      1.717000      ?             ?      
1 1 1 10 65 12 o -0.1892000     1.960000      ?             ?      
1 1 1 10 65 13 o 2.181000       3.329000      ?             ?      
1 1 1 10 65 14 o 2.382000       1.776000      ?             ?      
1 1 1 10 65 15 < 0.000000       -1.000000     ?             ?      
1 1 1 10 66 0  o -0.9391000E-01 1.311000      ?             ?      
1 1 1 10 66 1  o -0.2347000     0.9741000     ?             ?      
1 1 1 10 66 2  o -1.418000      1.079000      ?             ?      
1 1 1 10 66 3  o -1.260000      0.8433000     ?             ?      
1 1 1 10 66 4  o 0.6854000      0.8845000     ?             ?      
1 1 1 10 66 5  o -0.1995000     0.8856000     ?             ?      
1 1 1 10 66 6  o 0.7512000      1.019000      ?             ?      
1 1 1 10 66 7  o -0.9829000     1.362000      ?             ?      
1 1 1 11 0  1  o 0.8037000E-01  0.3577000     116.3605      90.0   
1 1 1 11 0  2  o 1.255000       0.3285000     207.6477      180.0  
1 1 1 11 0  3  o 0.5634000      0.3595000     271.1127      90.0   
1 1 1 11 0  4  o 1.005000       0.4354000     113.6047      0.0    
1 1 1 11 0  5  o 1.151000       0.4567000     302.5987      90.0   
1 1 1 11 0  6  o 1.564000       0.5714000     78.47701      -180.0 
1 1 1 11 0  8  o -0.1950000     0.9046000     74.65943      0.0    
1 1 1 11 0  9  o -0.7517000     0.6288000     122.4025      90.0   
1 1 1 11 0  10 o 0.6079000      0.5533000     115.5848      0.0    
1 1 1 11 0  11 o 0.5044000      0.4903000     84.36250      -90.0  
1 1 1 11 0  12 f 0.9053000      0.5158000     290.6669      180.0  
1 1 1 11 0  13 o 0.1845000      0.5421000     229.9764      90.0   
1 1 1 11 0  14 o -0.3090000E-01 0.5831000     85.25771      0.0    
1 1 1 11 0  15 o 1.532000       0.6399000     236.0714      90.0   
1 1 1 11 0  16 o 3.875000       0.6851000     61.92655      180.0  
1 1 1 11 0  17 o 1.019000       0.7109000     134.6306      -90.0  
1 1 1 11 0  18 o 2.718000       0.7565000     136.6821      180.0  
1 1 1 11 0  19 o 2.311000       0.8116000     83.65421      -90.0  
1 1 1 11 0  20 o 5.192000       0.9931000     215.7511      180.0  
1 1 1 11 0  21 o 6.200000       0.9488000     14.41714      90.0   
1 1 1 11 0  22 o 0.9557000      0.9601000     152.5744      0.0    
1 1 1 11 0  23 o 1.081000       1.015000      215.5451      -90.0  
1 1 1 11 0  24 o 2.697000       1.075000      304.4342      -180.0 
1 1 1 11 0  25 o 1.885000       1.152000      398.0702      -90.0  
1 1 1 11 0  26 o 1.583000       1.229000      194.1737      -180.0 
1 1 1 11 0  27 o 3.211000       1.333000      70.76440      -90.0  
1 1 1 11 0  28 o 3.514000       1.605000      41.58003      180.0  
1 1 1 11 0  29 o 7.065000       1.539000      183.7021      -90.0  
1 1 1 11 0  30 o 1.375000       1.820000      172.5727      180.0  
1 1 1 11 0  31 o 21.85000       3.795000      347.0539      90.0   
1 1 1 11 0  32 o 9.159000       4.087000      203.2821      -0.0   
1 1 1 11 0  33 o 18.66000       2.277000      512.2141      90.0   
1 1 1 11 0  34 o -0.1036000E-01 1.802000      18.00817      180.0  
1 1 1 11 0  35 o 6.040000       1.804000      124.9693      90.0   
1 1 1 11 0  36 o 16.92000       1.818000      219.9442      180.0  
1 1 1 11 0  37 o 7.495000       1.702000      326.4163      -90.0  
1 1 1 11 0  38 o 5.289000       1.610000      136.3937      -180.0 
1 1 1 11 0  39 o -0.2775000     1.498000      64.52152      -90.0  
1 1 1 11 0  40 o 3.170000       1.525000      64.20322      -180.0 
1 1 1 11 0  41 o 4.339000       1.498000      212.5596      90.0   
1 1 1 11 0  42 o 1.005000       1.467000      87.94865      -180.0 
1 1 1 11 0  43 o 2.658000       1.697000      203.3440      90.0   
1 1 1 11 0  44 o 0.3775000      1.697000      150.1027      -180.0 
1 1 1 11 0  45 o 12.37000       1.701000      446.9273      -90.0  
1 1 1 11 0  46 o 1.322000       1.854000      156.9418      -180.0 
1 1 1 11 0  47 o -1.917000      1.878000      97.00257      -90.0  
1 1 1 11 0  48 o -2.625000      1.828000      33.25035      -180.0 
1 1 1 11 0  49 o -6.496000      3.436000      108.4857      90.0   
1 1 1 11 0  50 o 1.593000       3.064000      66.06581      -0.0   
1 1 1 11 0  51 o 0.1812000      1.720000      38.08105      90.0   
1 1 1 11 0  52 o 3.079000       1.764000      91.05761      -180.0 
1 1 1 11 0  53 o 3.330000       1.778000      164.7538      -90.0  
1 1 1 11 0  54 o 5.972000       1.860000      191.1480      180.0  
1 1 1 11 0  55 o 4.388000       1.926000      121.3204      90.0   
1 1 1 11 0  56 o 6.505000       1.944000      103.8250      0.0    
1 1 1 11 0  57 o 2.704000       1.941000      180.3196      90.0   
1 1 1 11 0  58 o 0.8798000      1.930000      66.31306      180.0  
1 1 1 11 0  59 o 4.295000       1.954000      288.2417      90.0   
1 1 1 11 0  60 o 1.475000       1.953000      139.6540      0.0    
1 1 1 11 0  61 o -0.8651000     1.976000      ?             ?      
1 1 1 11 0  62 o 2.547000       1.984000      ?             ?      
1 1 1 11 0  63 o 2.224000       2.226000      ?             ?      
1 1 1 11 0  64 o -0.4514000     2.701000      ?             ?      
1 1 1 11 0  65 o -0.5671000     3.907000      ?             ?      
1 1 1 11 0  66 o -0.3840000E-01 2.125000      ?             ?      
1 1 1 11 0  67 o 1.010000       1.869000      ?             ?      
1 1 1 11 0  68 o -1.193000      1.900000      ?             ?      
1 1 1 11 0  69 o 7.228000       1.977000      ?             ?      
1 1 1 11 0  70 o 1.284000       1.937000      ?             ?      
1 1 1 11 0  71 o 3.149000       2.205000      ?             ?      
1 1 1 11 0  72 o 2.143000       1.931000      ?             ?      
1 1 1 11 0  73 o -2.367000      1.929000      ?             ?      
1 1 1 11 0  74 o -1.558000      1.939000      ?             ?      
1 1 1 11 0  75 o -1.955000      1.979000      ?             ?      
1 1 1 11 1  0  o 1.306000       0.3349000     385.4124      -90.0  
1 1 1 11 1  1  o 0.2445000      0.2315000     303.4693      -128.2 
1 1 1 11 1  2  o 0.3965000      0.2353000     72.09933      -163.8 
1 1 1 11 1  3  o 1.521000       0.2848000     243.1003      -51.1  
1 1 1 11 1  4  o 3.287000       0.3087000     56.11207      -44.1  
1 1 1 11 1  5  o 0.8753000      0.3183000     318.8655      -159.0 
1 1 1 11 1  6  o 2.044000       0.4041000     190.0784      -32.3  
1 1 1 11 1  7  o -0.6750000E-01 0.7705000     147.5538      1.1    
1 1 1 11 1  8  o 1.752000       0.6696000     250.1793      -118.1 
1 1 1 11 1  9  o 5.098000       0.6133000     342.4047      -133.6 
1 1 1 11 1  10 o 2.170000       0.4030000     412.9003      -105.1 
1 1 1 11 1  11 o 3.522000       0.4288000     539.4300      -40.2  
1 1 1 11 1  12 o 2.425000       0.3730000     288.9730      -70.6  
1 1 1 11 1  13 o 1.123000       0.3919000     79.91447      -139.5 
1 1 1 11 1  14 o 0.3192000      0.4164000     144.4192      46.7   
1 1 1 11 1  15 o 2.087000       0.4555000     116.6786      13.2   
1 1 1 11 1  16 o 1.309000       0.4800000     169.5474      -37.6  
1 1 1 11 1  17 o 0.9075000      0.4990000     190.5405      -14.9  
1 1 1 11 1  18 o 1.888000       0.5324000     154.6124      -87.0  
1 1 1 11 1  19 o 2.194000       0.5675000     157.4975      42.0   
1 1 1 11 1  20 o 3.678000       0.6068000     302.5521      135.0  
1 1 1 11 1  21 o 4.992000       0.6680000     287.4097      170.6  
1 1 1 11 1  22 o 2.899000       0.6887000     329.8568      -39.2  
1 1 1 11 1  23 o 5.790000       0.7414000     121.3454      -40.9  
1 1 1 11 1  24 o 4.858000       0.7824000     140.6195      -40.3  
1 1 1 11 1  25 o 7.537000       0.8519000     365.9867      58.1   
1 1 1 11 1  26 o 4.765000       0.8847000     274.2072      -155.4 
1 1 1 11 1  27 o 19.21000       1.072000      549.9222      -154.3 
1 1 1 11 1  28 o 5.019000       1.023000      218.2108      -21.4  
1 1 1 11 1  29 o 28.20000       1.300000      657.6889      -0.9   
1 1 1 11 1  30 o 5.431000       1.327000      428.7679      105.4  
1 1 1 11 1  31 o 3.454000       1.928000      198.1862      -59.0  
1 1 1 11 1  32 o 11.60000       2.301000      316.0188      -87.1  
1 1 1 11 1  33 o 14.66000       1.492000      449.0745      105.6  
1 1 1 11 1  34 o 11.43000       1.327000      470.1660      91.0   
1 1 1 11 1  35 o 6.677000       1.259000      363.2125      -80.5  
1 1 1 11 1  36 o 3.572000       1.171000      337.8450      -173.7 
1 1 1 11 1  37 o 4.766000       1.162000      253.5707      147.3  
1 1 1 11 1  38 o 8.721000       1.157000      341.4732      163.7  
1 1 1 11 1  39 o 1.644000       1.074000      182.3222      131.6  
1 1 1 11 1  40 o 4.053000       1.146000      119.9462      158.1  
1 1 1 11 1  41 o 5.871000       1.139000      369.1378      -32.5  
1 1 1 11 1  42 o 2.628000       1.043000      306.2871      -104.7 
1 1 1 11 1  43 o 2.083000       1.149000      158.6573      -114.4 
1 1 1 11 1  44 o 2.524000       1.364000      268.1035      77.5   
1 1 1 11 1  45 o 3.041000       1.315000      269.7398      -166.7 
1 1 1 11 1  46 o 5.194000       1.213000      184.6953      -65.9  
1 1 1 11 1  47 o 6.194000       1.237000      334.6091      -10.5  
1 1 1 11 1  48 o 1.503000       1.471000      224.2506      -61.5  
1 1 1 11 1  49 o 0.3586000      2.040000      129.4518      -27.2  
1 1 1 11 1  50 o -3.209000      2.188000      20.78837      -105.3 
1 1 1 11 1  51 o 3.303000       1.318000      164.1174      111.5  
1 1 1 11 1  52 o 5.609000       1.331000      205.8798      23.0   
1 1 1 11 1  53 o 2.677000       1.273000      152.9486      -11.9  
1 1 1 11 1  54 o 6.607000       1.348000      405.6783      158.2  
1 1 1 11 1  55 o -1.027000      1.324000      167.5371      -174.9 
1 1 1 11 1  56 o 5.827000       1.379000      296.4442      43.9   
1 1 1 11 1  57 o -0.3395000     1.368000      116.0639      32.7   
1 1 1 11 1  58 o -0.9172000E-01 1.374000      110.8375      -127.6 
1 1 1 11 1  59 o 3.679000       1.388000      189.6300      -18.1  
1 1 1 11 1  60 o -0.5215000     1.375000      122.7862      175.0  
1 1 1 11 1  61 o 1.185000       1.420000      ?             ?      
1 1 1 11 1  62 o 1.058000       1.404000      ?             ?      
1 1 1 11 1  63 o 0.5175000      1.484000      ?             ?      
1 1 1 11 1  64 o 3.541000       2.309000      ?             ?      
1 1 1 11 1  65 o -2.575000      2.232000      ?             ?      
1 1 1 11 1  66 o -1.389000      1.414000      ?             ?      
1 1 1 11 1  67 o 1.967000       1.338000      ?             ?      
1 1 1 11 1  68 o 0.9696000      1.339000      ?             ?      
1 1 1 11 1  69 o -0.7534000     1.342000      ?             ?      
1 1 1 11 1  70 o 1.086000       1.363000      ?             ?      
1 1 1 11 1  71 f 2.420000       1.372000      ?             ?      
1 1 1 11 1  72 o 0.2815000      1.375000      ?             ?      
1 1 1 11 1  73 o -2.319000      1.383000      ?             ?      
1 1 1 11 1  74 o -0.5384000     1.402000      ?             ?      
1 1 1 11 1  75 o 0.5172000      1.411000      ?             ?      
1 1 1 11 2  0  o 6.038000       0.5219000     548.1796      -90.0  
1 1 1 11 2  1  o 6.877000       0.4498000     664.7347      -81.6  
1 1 1 11 2  2  o 2.113000       0.3201000     436.5706      70.5   
1 1 1 11 2  3  o 4.220000       0.3038000     400.5636      -150.9 
1 1 1 11 2  4  o 0.2640000      0.2702000     164.3234      -126.3 
1 1 1 11 2  5  o 0.8970000      0.3340000     429.6647      -91.6  
1 1 1 11 2  6  o 9.093000       0.5989000     551.4723      38.9   
1 1 1 11 2  7  o 1.203000       0.7233000     39.82833      172.9  
1 1 1 11 2  8  o 2.108000       0.5805000     287.7202      59.1   
1 1 1 11 2  9  f 4.249000       0.5804000     703.2435      -47.9  
1 1 1 11 2  10 o 5.316000       0.4297000     453.8542      -122.3 
1 1 1 11 2  11 o 1.267000       0.3916000     82.42499      -52.3  
1 1 1 11 2  12 o 1.309000       0.3649000     209.2490      171.1  
1 1 1 11 2  13 o 10.95000       0.4882000     477.1094      -19.1  
1 1 1 11 2  14 o 4.079000       0.4344000     337.5873      26.2   
1 1 1 11 2  15 o 3.447000       0.4596000     153.8544      -99.7  
1 1 1 11 2  16 o 14.80000       0.6140000     591.8006      146.4  
1 1 1 11 2  17 o 0.1129000      0.4973000     206.3767      -72.0  
1 1 1 11 2  18 o 1.840000       0.5315000     330.7789      93.2   
1 1 1 11 2  19 o 2.254000       0.5677000     188.2221      -168.8 
1 1 1 11 2  20 o 4.266000       0.6220000     183.8421      10.3   
1 1 1 11 2  21 o 31.27000       0.9851000     891.4382      35.6   
1 1 1 11 2  22 o 4.845000       0.7047000     201.3374      64.5   
1 1 1 11 2  23 o 24.37000       0.9463000     713.3405      -74.6  
1 1 1 11 2  24 o 4.402000       0.7936000     195.2466      -46.2  
1 1 1 11 2  25 o 21.77000       1.005000      700.7587      -11.1  
1 1 1 11 2  26 o 4.148000       0.9023000     329.4298      -23.1  
1 1 1 11 2  27 o 2.871000       0.9502000     193.1615      94.2   
1 1 1 11 2  28 o 7.700000       1.028000      282.6836      55.1   
1 1 1 11 2  29 o 30.98000       1.418000      781.9041      -150.0 
1 1 1 11 2  30 o 0.7530000      1.433000      375.7123      22.5   
1 1 1 11 2  31 o 5.024000       1.846000      116.8275      32.8   
1 1 1 11 2  32 o -0.9335000     2.195000      459.8529      119.4  
1 1 1 11 2  33 o 1.923000       1.698000      191.1000      -88.3  
1 1 1 11 2  34 o 29.61000       1.602000      801.3614      -6.7   
1 1 1 11 2  35 o 9.039000       1.230000      280.3022      22.7   
1 1 1 11 2  36 o 13.40000       1.206000      159.6232      -92.5  
1 1 1 11 2  37 o 7.330000       1.161000      248.8756      -91.3  
1 1 1 11 2  38 o 14.89000       1.276000      473.5242      -166.9 
1 1 1 11 2  39 o 7.385000       1.188000      386.5777      39.4   
1 1 1 11 2  40 o 9.645000       1.122000      399.1178      69.7   
1 1 1 11 2  41 o 1.838000       1.155000      274.0128      -105.1 
1 1 1 11 2  42 o 8.781000       1.192000      501.7087      44.4   
1 1 1 11 2  43 o 0.1578000      1.117000      91.71326      2.3    
1 1 1 11 2  44 o 4.038000       1.072000      289.0284      -97.1  
1 1 1 11 2  45 o 1.157000       1.143000      121.2390      -96.6  
1 1 1 11 2  46 o 1.810000       1.091000      76.46973      -31.3  
1 1 1 11 2  47 o 4.608000       1.198000      223.9559      6.3    
1 1 1 11 2  48 o -0.2065000     1.522000      293.5042      105.0  
1 1 1 11 2  49 o 6.375000       1.517000      286.0973      98.8   
1 1 1 11 2  50 o 4.205000       1.672000      277.3637      -84.5  
1 1 1 11 2  51 o 1.423000       1.547000      164.5021      -158.1 
1 1 1 11 2  52 o 6.497000       1.400000      373.2916      124.8  
1 1 1 11 2  53 o 5.372000       1.293000      259.8604      -100.4 
1 1 1 11 2  54 o 6.427000       1.414000      369.5974      98.5   
1 1 1 11 2  55 o 3.520000       1.405000      237.6230      89.7   
1 1 1 11 2  56 o 3.563000       1.368000      186.0030      76.4   
1 1 1 11 2  57 o 1.235000       1.363000      48.53465      -18.3  
1 1 1 11 2  58 o 3.463000       1.529000      217.8887      91.6   
1 1 1 11 2  59 o 0.6941000      1.384000      137.9786      9.5    
1 1 1 11 2  60 o 0.3493000      1.390000      107.4200      -123.4 
1 1 1 11 2  61 o 3.358000       1.439000      ?             ?      
1 1 1 11 2  62 o 2.242000       1.421000      ?             ?      
1 1 1 11 2  63 o 2.649000       1.643000      ?             ?      
1 1 1 11 2  64 o 2.998000       2.276000      ?             ?      
1 1 1 11 2  65 o 2.127000       2.293000      ?             ?      
1 1 1 11 2  66 o 3.029000       1.801000      ?             ?      
1 1 1 11 2  67 o 0.6957000      1.358000      ?             ?      
1 1 1 11 2  68 o -1.200000      1.346000      ?             ?      
1 1 1 11 2  69 o 2.730000       1.357000      ?             ?      
1 1 1 11 2  70 o -0.5918000     1.366000      ?             ?      
1 1 1 11 2  71 o -2.898000      1.374000      ?             ?      
1 1 1 11 2  72 o 2.426000       1.404000      ?             ?      
1 1 1 11 2  73 o 2.099000       1.408000      ?             ?      
1 1 1 11 2  74 o -1.615000      1.402000      ?             ?      
1 1 1 11 2  75 o 1.690000       1.450000      ?             ?      
1 1 1 11 3  0  o -0.3856000     0.3459000     38.24024      90.0   
1 1 1 11 3  1  o 7.944000       0.3802000     361.6869      24.0   
1 1 1 11 3  2  o 13.61000       0.5518000     676.1876      -7.8   
1 1 1 11 3  3  o 19.60000       0.6871000     819.8992      -71.2  
1 1 1 11 3  4  o 5.716000       0.3264000     580.5667      -87.7  
1 1 1 11 3  5  o 7.313000       0.5491000     461.9362      135.2  
1 1 1 11 3  6  o 24.37000       1.601000      623.0696      -2.6   
1 1 1 11 3  7  o 21.47000       1.283000      794.4930      -64.3  
1 1 1 11 3  8  o 37.21000       1.665000      987.8156      -120.9 
1 1 1 11 3  9  o 17.31000       0.6857000     700.4977      -68.1  
1 1 1 11 3  10 o 21.61000       0.7710000     847.0008      -35.2  
1 1 1 11 3  11 o 4.656000       0.4264000     217.5259      -84.4  
1 1 1 11 3  12 o 8.652000       0.4839000     540.9186      67.5   
1 1 1 11 3  13 o 3.683000       0.4300000     591.4297      157.0  
1 1 1 11 3  14 o 13.94000       0.6130000     782.3767      74.0   
1 1 1 11 3  15 o 30.09000       0.8141000     1177.689      103.7  
1 1 1 11 3  16 o 3.176000       0.4857000     479.1786      71.4   
1 1 1 11 3  17 o 32.33000       0.8915000     1103.547      -162.1 
1 1 1 11 3  18 o 6.426000       0.5702000     475.2935      -32.0  
1 1 1 11 3  19 o 0.3454000      0.5655000     144.4840      -167.2 
1 1 1 11 3  20 o 8.785000       0.6597000     582.4031      169.8  
1 1 1 11 3  21 o 24.83000       0.9624000     757.9214      155.8  
1 1 1 11 3  22 o 73.06000       1.712000      1586.180      58.3   
1 1 1 11 3  23 o 1.022000       0.7466000     276.5070      127.1  
1 1 1 11 3  24 o 31.00000       1.169000      898.3392      -133.5 
1 1 1 11 3  25 o 27.72000       1.082000      950.3936      126.8  
1 1 1 11 3  26 o 89.59000       2.117000      1429.526      -179.5 
1 1 1 11 3  27 o 22.30000       1.124000      404.3971      -103.1 
1 1 1 11 3  28 o 31.51000       1.278000      851.0637      -31.4  
1 1 1 11 3  29 o 66.80000       2.116000      1467.883      67.5   
1 1 1 11 3  30 o 6.729000       1.574000      518.6545      18.2   
1 1 1 11 3  31 o 55.47000       2.065000      908.2104      -171.7 
1 1 1 11 3  32 o 26.12000       1.648000      727.7631      -153.2 
1 1 1 11 3  33 o 50.42000       2.220000      1082.643      112.5  
1 1 1 11 3  34 o 21.40000       1.498000      889.3777      -131.1 
1 1 1 11 3  35 o 2.282000       1.181000      212.8315      166.2  
1 1 1 11 3  36 o 7.072000       1.253000      338.2697      41.2   
1 1 1 11 3  37 o 6.455000       1.151000      466.6581      83.4   
1 1 1 11 3  38 o 20.03000       1.352000      453.4935      -159.9 
1 1 1 11 3  39 o 6.614000       1.248000      246.0421      -121.6 
1 1 1 11 3  40 o 12.71000       1.238000      540.2810      150.3  
1 1 1 11 3  41 o 14.24000       1.153000      519.2637      -75.0  
1 1 1 11 3  42 o 7.447000       1.150000      384.9307      -61.2  
1 1 1 11 3  43 o 10.85000       1.176000      362.0785      -172.9 
1 1 1 11 3  44 o 7.442000       1.084000      353.6292      -142.7 
1 1 1 11 3  45 o 10.60000       1.123000      445.9437      -9.7   
1 1 1 11 3  46 o 5.344000       1.084000      457.6559      -42.0  
1 1 1 11 3  47 o 16.98000       1.388000      539.5594      -65.9  
1 1 1 11 3  48 o 3.136000       1.436000      262.7014      -53.2  
1 1 1 11 3  49 o 12.70000       1.394000      542.3591      -25.5  
1 1 1 11 3  50 o 0.8938000      2.082000      92.64465      120.8  
1 1 1 11 3  51 o 0.6045000      2.173000      264.0693      -68.3  
1 1 1 11 3  52 o 8.404000       1.397000      378.0990      -123.6 
1 1 1 11 3  53 o 12.49000       1.469000      451.3997      178.7  
1 1 1 11 3  54 o 16.43000       1.550000      506.2326      179.6  
1 1 1 11 3  55 o 16.55000       1.553000      566.0428      -2.7   
1 1 1 11 3  56 o 10.83000       1.497000      392.9523      81.4   
1 1 1 11 3  57 o 11.35000       1.516000      398.1883      -103.8 
1 1 1 11 3  58 o 4.491000       1.413000      150.2621      -134.6 
1 1 1 11 3  59 o 3.039000       1.410000      314.6855      -62.8  
1 1 1 11 3  60 o 24.50000       1.606000      808.5339      170.9  
1 1 1 11 3  61 o 2.213000       1.425000      ?             ?      
1 1 1 11 3  62 o 1.388000       1.514000      ?             ?      
1 1 1 11 3  63 o 1.447000       1.838000      ?             ?      
1 1 1 11 3  64 o 0.7252000      1.561000      ?             ?      
1 1 1 11 3  65 o 3.574000       1.481000      ?             ?      
1 1 1 11 3  66 o -1.112000      1.691000      ?             ?      
1 1 1 11 3  67 o 0.4586000      1.468000      ?             ?      
1 1 1 11 3  68 o 2.379000       1.361000      ?             ?      
1 1 1 11 3  69 o -0.1583000     1.343000      ?             ?      
1 1 1 11 3  70 o 2.534000       1.372000      ?             ?      
1 1 1 11 3  71 o -1.196000      1.368000      ?             ?      
1 1 1 11 3  72 o 5.339000       1.431000      ?             ?      
1 1 1 11 3  73 o -0.5181000     1.400000      ?             ?      
1 1 1 11 3  74 o 1.515000       1.408000      ?             ?      
1 1 1 11 3  75 o -1.239000      1.430000      ?             ?      
1 1 1 11 4  0  o 0.5631000      0.3969000     242.9893      -90.0  
1 1 1 11 4  1  o 35.13000       0.9247000     919.5759      86.3   
1 1 1 11 4  2  o 5.115000       0.3571000     395.2002      -171.0 
1 1 1 11 4  3  o 1.599000       0.3336000     23.76538      174.2  
1 1 1 11 4  4  o 54.63000       1.641000      1040.600      15.1   
1 1 1 11 4  5  o 31.71000       1.494000      748.6292      24.5   
1 1 1 11 4  6  o 53.40000       1.876000      1264.151      94.6   
1 1 1 11 4  7  o 42.10000       1.346000      1136.342      28.8   
1 1 1 11 4  8  o 46.29000       1.338000      1012.400      76.6   
1 1 1 11 4  9  o 14.68000       0.6281000     658.9366      81.4   
1 1 1 11 4  10 o 3.639000       0.4712000     506.6479      36.7   
1 1 1 11 4  11 o 0.9519000      0.4739000     238.2798      166.7  
1 1 1 11 4  12 o 2.704000       0.4267000     383.1757      -52.1  
1 1 1 11 4  13 o 53.62000       1.398000      1202.563      -33.9  
1 1 1 11 4  14 o 39.69000       0.9602000     1209.497      -147.1 
1 1 1 11 4  15 o 49.51000       1.153000      1201.690      97.3   
1 1 1 11 4  16 o 61.77000       1.626000      1261.940      141.3  
1 1 1 11 4  17 o 41.92000       1.160000      816.7725      -69.2  
1 1 1 11 4  18 o 10.09000       0.6134000     726.2676      123.3  
1 1 1 11 4  19 o 16.53000       0.7927000     746.7881      -47.8  
1 1 1 11 4  20 o 10.34000       0.6820000     582.8602      126.9  
1 1 1 11 4  21 o 72.79000       1.690000      1098.306      17.2   
1 1 1 11 4  22 o 66.22000       1.602000      1060.220      84.7   
1 1 1 11 4  23 o 121.2000       2.616000      1514.146      0.1    
1 1 1 11 4  24 o 22.29000       0.9862000     748.5723      -1.0   
1 1 1 11 4  25 o 41.65000       1.287000      837.0286      -0.3   
1 1 1 11 4  26 o 166.8000       3.537000      1773.585      -98.8  
1 1 1 11 4  27 o 4.379000       0.9788000     564.7015      -149.9 
1 1 1 11 4  28 o 32.17000       1.375000      838.9641      141.2  
1 1 1 11 4  29 o 7.324000       1.289000      624.9778      87.7   
1 1 1 11 4  30 o 115.5000       3.780000      1465.989      91.4   
1 1 1 11 4  31 o 6.827000       1.337000      411.3615      -164.1 
1 1 1 11 4  32 o 37.24000       1.667000      863.9706      37.9   
1 1 1 11 4  33 o 13.17000       1.905000      485.2129      43.6   
1 1 1 11 4  34 o 9.424000       1.678000      502.2147      -173.0 
1 1 1 11 4  35 o 6.656000       1.270000      307.1061      40.0   
1 1 1 11 4  36 o 2.499000       1.250000      176.9088      -90.2  
1 1 1 11 4  37 o 21.17000       1.588000      497.4642      94.6   
1 1 1 11 4  38 o 2.969000       1.198000      123.6447      -79.2  
1 1 1 11 4  39 o 15.70000       1.288000      493.8690      70.0   
1 1 1 11 4  40 o 4.046000       1.155000      320.6873      93.7   
1 1 1 11 4  41 o 13.03000       1.209000      618.6694      -96.6  
1 1 1 11 4  42 o 35.62000       1.387000      728.8917      66.6   
1 1 1 11 4  43 o 18.74000       1.170000      507.8294      -54.1  
1 1 1 11 4  44 o 6.433000       1.074000      265.3852      -23.8  
1 1 1 11 4  45 o 23.73000       1.259000      779.0928      -24.2  
1 1 1 11 4  46 o -0.8861000     1.115000      76.02142      -49.8  
1 1 1 11 4  47 o 15.41000       1.530000      533.9150      6.6    
1 1 1 11 4  48 o 13.70000       1.374000      525.0833      95.9   
1 1 1 11 4  49 o 32.61000       1.545000      805.2247      114.5  
1 1 1 11 4  50 o 4.634000       1.271000      285.1928      -60.8  
1 1 1 11 4  51 o 5.940000       1.603000      307.4459      -106.5 
1 1 1 11 4  52 o 19.39000       1.591000      651.5015      38.1   
1 1 1 11 4  53 o 25.69000       1.715000      680.3414      -118.4 
1 1 1 11 4  54 o 22.97000       1.471000      726.6680      85.2   
1 1 1 11 4  55 o 2.728000       1.443000      245.2779      -112.1 
1 1 1 11 4  56 o 9.580000       1.793000      367.7972      73.2   
1 1 1 11 4  57 o 3.287000       1.504000      176.6081      156.0  
1 1 1 11 4  58 o -1.585000      1.408000      107.7968      -56.5  
1 1 1 11 4  59 o 23.79000       1.692000      786.1121      -114.8 
1 1 1 11 4  60 o 0.7625000      1.425000      183.0476      -175.8 
1 1 1 11 4  61 o 2.646000       1.433000      ?             ?      
1 1 1 11 4  62 o 1.404000       1.618000      ?             ?      
1 1 1 11 4  63 o 4.090000       1.821000      ?             ?      
1 1 1 11 4  64 o 7.653000       1.650000      ?             ?      
1 1 1 11 4  65 o 4.724000       1.466000      ?             ?      
1 1 1 11 4  66 o 2.549000       1.798000      ?             ?      
1 1 1 11 4  67 o -0.8309000     1.799000      ?             ?      
1 1 1 11 4  68 o 2.524000       1.369000      ?             ?      
1 1 1 11 4  69 o 2.938000       1.357000      ?             ?      
1 1 1 11 4  70 o 5.595000       1.402000      ?             ?      
1 1 1 11 4  71 o 3.020000       1.394000      ?             ?      
1 1 1 11 4  72 o 4.070000       1.407000      ?             ?      
1 1 1 11 4  73 o -0.1991000     1.383000      ?             ?      
1 1 1 11 4  74 o 1.024000       1.415000      ?             ?      
1 1 1 11 4  75 o 5.059000       1.563000      ?             ?      
1 1 1 11 5  0  o -0.1432000     0.3936000     227.2988      -90.0  
1 1 1 11 5  1  o 6.299000       0.3732000     439.4098      26.5   
1 1 1 11 5  2  o 26.28000       0.7464000     909.7671      157.6  
1 1 1 11 5  3  o 8.640000       0.4539000     505.0951      -66.5  
1 1 1 11 5  4  o 15.13000       0.6960000     502.2031      114.7  
1 1 1 11 5  5  o 45.18000       1.424000      1024.248      34.4   
1 1 1 11 5  6  o 66.03000       1.789000      1438.182      150.9  
1 1 1 11 5  7  o 8.406000       0.4606000     585.1635      -175.0 
1 1 1 11 5  8  o 145.5000       3.380000      1899.518      132.1  
1 1 1 11 5  9  o 8.471000       0.5081000     518.0992      -71.8  
1 1 1 11 5  10 o 92.11000       2.332000      1634.399      -129.2 
1 1 1 11 5  11 o 5.271000       0.5266000     505.0828      3.3    
1 1 1 11 5  12 o 34.59000       0.9289000     925.6943      100.7  
1 1 1 11 5  13 o 69.12000       1.735000      1286.315      101.8  
1 1 1 11 5  14 o 60.35000       1.337000      1206.682      -163.5 
1 1 1 11 5  15 o 58.23000       1.313000      1181.193      -78.0  
1 1 1 11 5  16 o 63.14000       1.414000      1312.376      63.9   
1 1 1 11 5  17 o 44.17000       1.101000      1014.147      165.3  
1 1 1 11 5  18 o 202.8000       4.102000      1933.682      71.0   
1 1 1 11 5  19 o 11.41000       0.6686000     487.2807      -80.6  
1 1 1 11 5  20 o 98.92000       2.148000      1537.632      80.6   
1 1 1 11 5  21 o 92.44000       2.050000      1354.394      -112.4 
1 1 1 11 5  22 o 77.29000       1.794000      1129.027      84.6   
1 1 1 11 5  23 o 101.4000       2.258000      1794.043      -146.0 
1 1 1 11 5  24 o 377.0000       7.541000      2509.486      50.6   
1 1 1 11 5  25 o 88.00000       2.063000      1383.006      40.4   
1 1 1 11 5  26 o 33.58000       1.223000      959.5151      -134.0 
1 1 1 11 5  27 o 8.356000       1.011000      572.4716      55.3   
1 1 1 11 5  28 o 10.59000       1.235000      418.8948      172.5  
1 1 1 11 5  29 o 126.7000       4.018000      1630.744      148.1  
1 1 1 11 5  30 o 42.82000       1.822000      1176.956      -44.1  
1 1 1 11 5  31 o 117.7000       2.992000      1666.685      171.1  
1 1 1 11 5  32 o 224.9000       5.840000      2124.013      -125.2 
1 1 1 11 5  33 o 7.543000       1.688000      408.6042      -127.7 
1 1 1 11 5  34 o 107.7000       3.211000      1364.365      -166.3 
1 1 1 11 5  35 o 45.90000       2.097000      1020.171      -173.8 
1 1 1 11 5  36 o 7.044000       1.157000      389.8349      122.0  
1 1 1 11 5  37 o 25.31000       1.385000      746.2650      16.5   
1 1 1 11 5  38 o 21.13000       1.329000      718.2170      171.1  
1 1 1 11 5  39 o 7.431000       1.104000      264.7407      -59.7  
1 1 1 11 5  40 o 9.582000       1.095000      535.9398      139.0  
1 1 1 11 5  41 o 18.84000       1.177000      555.8476      -94.6  
1 1 1 11 5  42 o 32.22000       1.331000      789.8281      7.2    
1 1 1 11 5  43 o 8.014000       1.074000      337.0558      167.5  
1 1 1 11 5  44 o 13.21000       1.125000      413.8797      55.8   
1 1 1 11 5  45 o 11.32000       1.114000      293.9274      6.0    
1 1 1 11 5  46 o 3.440000       1.226000      218.8935      -19.4  
1 1 1 11 5  47 o 62.09000       2.392000      1453.649      -96.6  
1 1 1 11 5  48 o 2.841000       1.205000      103.4968      112.6  
1 1 1 11 5  49 o 0.3526000      1.140000      90.77129      -91.3  
1 1 1 11 5  50 o 4.830000       1.268000      249.5387      51.3   
1 1 1 11 5  51 o 19.08000       1.803000      616.2716      -45.1  
1 1 1 11 5  52 o 10.85000       1.754000      534.1357      -121.0 
1 1 1 11 5  53 o 43.54000       1.855000      962.1160      141.3  
1 1 1 11 5  54 o 20.83000       1.451000      636.4637      -84.5  
1 1 1 11 5  55 o 3.857000       1.401000      207.7066      -173.9 
1 1 1 11 5  56 o 17.26000       1.476000      461.9619      -143.6 
1 1 1 11 5  57 o 1.673000       1.502000      215.2095      -54.7  
1 1 1 11 5  58 o 9.693000       1.568000      407.6972      -32.8  
1 1 1 11 5  59 o 16.18000       1.653000      682.0435      -42.7  
1 1 1 11 5  60 o 37.32000       1.787000      927.7333      125.6  
1 1 1 11 5  61 o 4.646000       1.516000      ?             ?      
1 1 1 11 5  62 o 3.793000       1.822000      ?             ?      
1 1 1 11 5  63 o 2.498000       1.582000      ?             ?      
1 1 1 11 5  64 o 3.265000       1.361000      ?             ?      
1 1 1 11 5  65 o 3.861000       1.365000      ?             ?      
1 1 1 11 5  66 o 2.152000       1.582000      ?             ?      
1 1 1 11 5  67 o 3.759000       1.801000      ?             ?      
1 1 1 11 5  68 o -0.7626000     1.442000      ?             ?      
1 1 1 11 5  69 o 10.82000       1.431000      ?             ?      
1 1 1 11 5  70 o 1.989000       1.372000      ?             ?      
1 1 1 11 5  71 o 1.954000       1.376000      ?             ?      
1 1 1 11 5  72 o 6.512000       1.428000      ?             ?      
1 1 1 11 5  73 o 0.6207000      1.399000      ?             ?      
1 1 1 11 5  74 o 1.796000       1.439000      ?             ?      
1 1 1 11 5  75 o -0.7817000     1.639000      ?             ?      
1 1 1 11 6  0  o 31.15000       1.156000      601.2617      90.0   
1 1 1 11 6  1  o 6.271000       0.3394000     297.3220      43.6   
1 1 1 11 6  2  o 2.386000       0.3682000     249.9782      -14.8  
1 1 1 11 6  3  o 28.48000       0.9844000     766.9180      -38.0  
1 1 1 11 6  4  o 255.7000       6.485000      2283.242      136.7  
1 1 1 11 6  5  o 16.62000       0.6297000     479.8972      157.9  
1 1 1 11 6  6  o 71.40000       1.618000      836.6080      95.5   
1 1 1 11 6  7  o 33.92000       0.9512000     703.9240      175.5  
1 1 1 11 6  8  o 110.7000       2.443000      1360.720      41.4   
1 1 1 11 6  9  o 2.441000       0.4056000     147.1136      49.4   
1 1 1 11 6  10 o 41.47000       1.061000      1213.097      18.0   
1 1 1 11 6  11 o 156.0000       4.087000      1566.771      -33.5  
1 1 1 11 6  12 o 61.84000       1.746000      1395.419      89.0   
1 1 1 11 6  13 o 37.80000       1.004000      876.4805      -69.3  
1 1 1 11 6  14 o 95.52000       2.164000      1589.531      140.0  
1 1 1 11 6  15 o 73.04000       1.585000      1139.473      -92.4  
1 1 1 11 6  16 o 29.30000       0.8288000     1081.362      -125.8 
1 1 1 11 6  17 o 5.544000       0.5472000     425.7223      168.7  
1 1 1 11 6  18 o 65.99000       1.503000      994.9659      -163.0 
1 1 1 11 6  19 o 17.06000       0.7375000     474.2763      161.4  
1 1 1 11 6  20 o 72.52000       1.669000      1804.656      -15.8  
1 1 1 11 6  21 o 430.3000       8.546000      3099.564      78.7   
1 1 1 11 6  22 o 181.2000       3.737000      1751.626      79.3   
1 1 1 11 6  23 o 48.75000       1.340000      1011.044      93.7   
1 1 1 11 6  24 o 49.50000       1.393000      736.3252      106.2  
1 1 1 11 6  25 o 177.1000       3.711000      1971.816      152.4  
1 1 1 11 6  26 o 33.89000       1.233000      1046.871      72.6   
1 1 1 11 6  27 o 19.21000       1.191000      813.5572      -15.3  
1 1 1 11 6  28 o 190.4000       5.181000      1639.356      -83.3  
1 1 1 11 6  29 o 510.5000       16.49000      2950.665      52.3   
1 1 1 11 6  30 o 14.17000       1.355000      496.8640      152.4  
1 1 1 11 6  31 o 5.196000       1.362000      353.7112      31.5   
1 1 1 11 6  32 o 24.40000       1.821000      581.6454      86.9   
1 1 1 11 6  33 o 316.1000       7.471000      2468.501      -73.9  
1 1 1 11 6  34 o 32.17000       1.873000      1030.203      148.6  
1 1 1 11 6  35 o 5.568000       1.704000      318.3039      45.4   
1 1 1 11 6  36 o 10.09000       1.422000      244.7476      45.7   
1 1 1 11 6  37 o 131.0000       2.980000      1751.059      133.2  
1 1 1 11 6  38 o 16.59000       1.172000      596.0103      -4.4   
1 1 1 11 6  39 o 49.24000       1.571000      1062.130      -139.2 
1 1 1 11 6  40 o 6.458000       1.063000      371.0171      -151.4 
1 1 1 11 6  41 o 97.69000       2.366000      1503.165      158.8  
1 1 1 11 6  42 o 6.157000       1.057000      184.3398      151.1  
1 1 1 11 6  43 o 72.21000       1.937000      1050.974      -65.9  
1 1 1 11 6  44 o 3.591000       1.048000      209.5256      18.9   
1 1 1 11 6  45 o 35.46000       1.482000      624.2535      8.2    
1 1 1 11 6  46 o 19.79000       1.542000      622.5972      2.8    
1 1 1 11 6  47 o 40.46000       1.745000      824.6208      47.4   
1 1 1 11 6  48 o 46.02000       1.727000      834.0015      58.4   
1 1 1 11 6  49 o 3.437000       1.151000      180.7636      125.3  
1 1 1 11 6  50 o 16.97000       1.288000      615.8765      -103.9 
1 1 1 11 6  51 o 10.69000       1.375000      543.6741      20.6   
1 1 1 11 6  52 o 6.597000       1.647000      329.3454      -28.0  
1 1 1 11 6  53 o 53.81000       2.007000      989.5492      -68.3  
1 1 1 11 6  54 o 14.61000       1.394000      474.4265      69.0   
1 1 1 11 6  55 o 7.199000       1.341000      363.8932      -25.2  
1 1 1 11 6  56 o 11.77000       1.425000      436.5363      128.1  
1 1 1 11 6  57 o 14.43000       1.549000      574.5444      59.3   
1 1 1 11 6  58 o 1.392000       1.482000      219.4840      136.6  
1 1 1 11 6  59 o 31.40000       1.800000      781.3625      -75.2  
1 1 1 11 6  60 o 10.94000       1.577000      ?             ?      
1 1 1 11 6  61 o 8.864000       1.876000      ?             ?      
1 1 1 11 6  62 o 2.151000       1.810000      ?             ?      
1 1 1 11 6  63 o 2.309000       1.623000      ?             ?      
1 1 1 11 6  64 o 6.810000       1.480000      ?             ?      
1 1 1 11 6  65 o 5.232000       1.384000      ?             ?      
1 1 1 11 6  66 o 1.750000       1.481000      ?             ?      
1 1 1 11 6  67 o 2.129000       1.710000      ?             ?      
1 1 1 11 6  68 o 1.724000       1.469000      ?             ?      
1 1 1 11 6  69 o 8.749000       1.534000      ?             ?      
1 1 1 11 6  70 o -0.8490000     1.362000      ?             ?      
1 1 1 11 6  71 o 3.449000       1.379000      ?             ?      
1 1 1 11 6  72 o 1.205000       1.389000      ?             ?      
1 1 1 11 6  73 o 5.246000       1.435000      ?             ?      
1 1 1 11 6  74 o 1.355000       1.524000      ?             ?      
1 1 1 11 6  75 o 0.1142000      2.378000      ?             ?      
1 1 1 11 7  0  f 2.019000       0.4250000     585.7306      -90.0  
1 1 1 11 7  1  o 198.1000       4.552000      1592.250      63.6   
1 1 1 11 7  2  o 238.5000       6.147000      2328.089      151.9  
1 1 1 11 7  3  o 202.5000       5.188000      2042.492      -133.7 
1 1 1 11 7  4  o 33.56000       1.025000      980.0151      -32.0  
1 1 1 11 7  5  o 6.015000       0.4044000     158.7967      67.8   
1 1 1 11 7  6  o 37.76000       0.9479000     1151.697      73.8   
1 1 1 11 7  7  o 109.4000       2.724000      1660.222      120.8  
1 1 1 11 7  8  o 55.64000       1.296000      1031.906      -169.3 
1 1 1 11 7  9  o 36.57000       1.010000      504.3105      -118.7 
1 1 1 11 7  10 o 56.58000       1.362000      781.0910      -150.3 
1 1 1 11 7  11 o 329.9000       7.943000      2447.893      -158.2 
1 1 1 11 7  12 o 255.7000       6.548000      2155.147      96.6   
1 1 1 11 7  13 o 9.429000       0.5552000     495.5586      -35.6  
1 1 1 11 7  14 o 235.2000       5.070000      2126.887      -62.9  
1 1 1 11 7  15 o 17.68000       0.6326000     684.2241      11.9   
1 1 1 11 7  16 o 327.2000       6.497000      2462.003      71.2   
1 1 1 11 7  17 o 169.2000       3.441000      1859.320      -21.8  
1 1 1 11 7  18 o 32.86000       0.9413000     1075.234      -90.0  
1 1 1 11 7  19 o 232.5000       4.684000      2097.079      0.1    
1 1 1 11 7  20 o 23.46000       0.8678000     851.7739      -57.6  
1 1 1 11 7  21 o 52.33000       1.480000      965.0764      -120.4 
1 1 1 11 7  22 o 486.4000       9.649000      3174.511      157.2  
1 1 1 11 7  23 o 356.0000       7.123000      2420.316      87.6   
1 1 1 11 7  24 o 12.01000       0.9127000     303.1001      -107.3 
1 1 1 11 7  25 o 218.1000       4.498000      2000.568      -149.1 
1 1 1 11 7  26 o 25.73000       1.249000      464.7248      -0.8   
1 1 1 11 7  27 o 179.2000       4.367000      2055.286      112.4  
1 1 1 11 7  28 o 127.2000       4.974000      1137.929      -54.9  
1 1 1 11 7  29 o 90.67000       3.003000      1103.871      -20.0  
1 1 1 11 7  30 o 82.18000       2.311000      1354.380      43.9   
1 1 1 11 7  31 o 19.41000       1.327000      706.6848      162.5  
1 1 1 11 7  32 o 55.63000       1.778000      1173.460      -145.0 
1 1 1 11 7  33 o 53.04000       1.803000      1285.784      122.8  
1 1 1 11 7  34 o 61.25000       2.088000      1054.607      129.1  
1 1 1 11 7  35 o 51.83000       2.171000      1362.150      -175.2 
1 1 1 11 7  36 o 84.26000       2.333000      1067.133      -7.0   
1 1 1 11 7  37 o 69.11000       2.051000      1113.021      25.1   
1 1 1 11 7  38 o 53.92000       1.640000      1019.988      -58.0  
1 1 1 11 7  39 o 17.50000       1.163000      399.1488      -76.6  
1 1 1 11 7  40 o 17.07000       1.152000      668.1145      -57.8  
1 1 1 11 7  41 o 17.64000       1.152000      674.0336      10.5   
1 1 1 11 7  42 o 65.07000       1.809000      1045.031      -34.5  
1 1 1 11 7  43 o 5.736000       1.049000      455.5990      133.0  
1 1 1 11 7  44 o 10.95000       1.102000      441.3918      68.1   
1 1 1 11 7  45 o 36.69000       1.598000      938.5846      161.9  
1 1 1 11 7  46 o 1.133000       1.409000      198.3685      91.4   
1 1 1 11 7  47 o 60.07000       2.071000      904.3547      -172.9 
1 1 1 11 7  48 o 35.12000       1.468000      845.5543      4.3    
1 1 1 11 7  49 o 5.236000       1.173000      500.7057      -4.3   
1 1 1 11 7  50 o 18.59000       1.318000      594.4188      -44.2  
1 1 1 11 7  51 o 1.066000       1.292000      62.12239      -82.3  
1 1 1 11 7  52 o 37.03000       2.129000      982.9135      136.9  
1 1 1 11 7  53 o 9.682000       1.806000      551.0680      -178.8 
1 1 1 11 7  54 f 24.27000       1.598000      787.2599      -40.1  
1 1 1 11 7  55 o 11.17000       1.388000      536.2555      121.0  
1 1 1 11 7  56 o 17.86000       1.478000      598.9089      125.8  
1 1 1 11 7  57 o 6.109000       1.398000      426.4774      -19.5  
1 1 1 11 7  58 o 14.71000       1.484000      654.0162      48.2   
1 1 1 11 7  59 o 3.101000       1.466000      280.5197      -144.0 
1 1 1 11 7  60 o 13.47000       1.678000      ?             ?      
1 1 1 11 7  61 o 2.809000       1.603000      ?             ?      
1 1 1 11 7  62 o 2.819000       1.756000      ?             ?      
1 1 1 11 7  63 o 11.35000       1.564000      ?             ?      
1 1 1 11 7  64 o 9.968000       1.536000      ?             ?      
1 1 1 11 7  65 o 6.402000       1.475000      ?             ?      
1 1 1 11 7  66 o 1.964000       1.543000      ?             ?      
1 1 1 11 7  67 o 0.8311000      1.785000      ?             ?      
1 1 1 11 7  68 o 4.886000       1.799000      ?             ?      
1 1 1 11 7  69 o 4.794000       1.509000      ?             ?      
1 1 1 11 7  70 o -0.1930000     1.357000      ?             ?      
1 1 1 11 7  71 o 7.731000       1.428000      ?             ?      
1 1 1 11 7  72 o 1.852000       1.389000      ?             ?      
1 1 1 11 7  73 o 3.538000       1.415000      ?             ?      
1 1 1 11 7  74 o 1.578000       1.642000      ?             ?      
1 1 1 11 7  75 o 6.706000       1.770000      ?             ?      
1 1 1 11 8  0  o 11.41000       0.8185000     317.8584      -90.0  
1 1 1 11 8  1  o 220.0000       5.623000      1301.637      -91.5  
1 1 1 11 8  2  o 25.55000       0.8300000     661.3148      -104.4 
1 1 1 11 8  3  o 25.12000       1.219000      742.0593      -120.0 
1 1 1 11 8  4  o 107.9000       2.850000      1560.397      81.3   
1 1 1 11 8  5  o 52.50000       2.223000      1029.388      5.4    
1 1 1 11 8  6  o 43.03000       1.001000      669.1631      145.1  
1 1 1 11 8  7  o 223.4000       4.221000      1839.484      -174.9 
1 1 1 11 8  8  o 31.23000       0.7891000     1300.668      -77.7  
1 1 1 11 8  9  o 51.22000       1.463000      983.9795      95.9   
1 1 1 11 8  10 o 112.7000       2.682000      2056.828      -39.1  
1 1 1 11 8  11 o 6.506000       0.5173000     243.8229      148.7  
1 1 1 11 8  12 o 239.4000       5.803000      2244.568      68.8   
1 1 1 11 8  13 o 62.29000       1.593000      1086.818      157.4  
1 1 1 11 8  14 o 9.537000       0.5864000     435.6962      152.3  
1 1 1 11 8  15 o 62.01000       1.516000      1031.585      -31.4  
1 1 1 11 8  16 o 314.2000       6.247000      1871.874      71.9   
1 1 1 11 8  17 o 22.34000       0.7719000     548.4746      -168.1 
1 1 1 11 8  18 o 75.44000       1.826000      1058.912      -125.5 
1 1 1 11 8  19 o 115.9000       2.457000      1782.748      3.4    
1 1 1 11 8  20 o 198.7000       4.047000      1809.950      147.9  
1 1 1 11 8  21 o 835.9000       16.46000      3724.367      104.0  
1 1 1 11 8  22 o 404.2000       8.060000      2850.181      -91.8  
1 1 1 11 8  23 o 164.8000       3.749000      1690.303      -12.4  
1 1 1 11 8  24 o 176.4000       3.978000      1720.953      153.3  
1 1 1 11 8  25 o 28.89000       1.144000      321.3484      142.7  
1 1 1 11 8  26 o 21.42000       1.241000      525.5352      -135.1 
1 1 1 11 8  27 o 455.8000       15.11000      2819.104      -28.0  
1 1 1 11 8  28 o 58.95000       2.438000      1120.925      -133.5 
1 1 1 11 8  29 o 270.1000       6.008000      2618.347      79.5   
1 1 1 11 8  30 o 23.99000       1.440000      241.6623      57.1   
1 1 1 11 8  31 o 207.1000       4.758000      2283.797      -156.8 
1 1 1 11 8  32 o 179.4000       3.867000      2189.902      -101.1 
1 1 1 11 8  33 f 53.74000       1.679000      1199.951      -37.0  
1 1 1 11 8  34 o 227.3000       5.134000      2436.193      145.7  
1 1 1 11 8  35 o 74.65000       2.661000      1322.102      62.3   
1 1 1 11 8  36 o 62.23000       2.356000      1350.001      166.0  
1 1 1 11 8  37 o 81.11000       2.253000      1344.167      101.9  
1 1 1 11 8  38 o 116.0000       2.682000      1598.020      -142.1 
1 1 1 11 8  39 o 114.8000       2.660000      1683.888      155.1  
1 1 1 11 8  40 o 4.905000       1.053000      133.2032      -44.0  
1 1 1 11 8  41 o 72.09000       1.924000      1295.443      70.8   
1 1 1 11 8  42 o 2.505000       1.034000      171.1158      167.5  
1 1 1 11 8  43 o 2.707000       1.033000      202.1539      -134.4 
1 1 1 11 8  44 o 11.09000       1.113000      575.6072      133.4  
1 1 1 11 8  45 o 42.66000       1.724000      784.5949      -2.8   
1 1 1 11 8  46 o 18.96000       1.384000      543.9686      -99.5  
1 1 1 11 8  47 o 75.55000       2.084000      1319.859      59.3   
1 1 1 11 8  48 o 11.84000       1.204000      503.9684      -19.6  
1 1 1 11 8  49 o 69.61000       1.996000      1182.604      42.4   
1 1 1 11 8  50 o 20.51000       1.343000      600.4565      -137.4 
1 1 1 11 8  51 o 12.43000       1.305000      553.7782      -38.1  
1 1 1 11 8  52 o 0.6807000      1.346000      148.9436      -111.0 
1 1 1 11 8  53 o 5.174000       1.707000      358.3708      -126.7 
1 1 1 11 8  54 o 30.18000       1.678000      650.7858      112.7  
1 1 1 11 8  55 o 34.64000       1.658000      877.4999      51.9   
1 1 1 11 8  56 o 41.58000       1.773000      1028.308      120.1  
1 1 1 11 8  57 o 7.530000       1.413000      486.8109      106.0  
1 1 1 11 8  58 o 8.352000       1.416000      504.6041      -6.0   
1 1 1 11 8  59 o 14.61000       1.551000      520.1393      -82.3  
1 1 1 11 8  60 o 5.192000       1.574000      ?             ?      
1 1 1 11 8  61 o 13.76000       1.887000      ?             ?      
1 1 1 11 8  62 o 14.78000       1.678000      ?             ?      
1 1 1 11 8  63 o 21.67000       1.548000      ?             ?      
1 1 1 11 8  64 o 0.1156000      1.443000      ?             ?      
1 1 1 11 8  65 o 12.53000       1.725000      ?             ?      
1 1 1 11 8  66 o 0.3741000      1.434000      ?             ?      
1 1 1 11 8  67 o -0.5286000E-01 1.457000      ?             ?      
1 1 1 11 8  69 o 4.628000       1.492000      ?             ?      
1 1 1 11 8  70 o 0.4034000      1.354000      ?             ?      
1 1 1 11 8  71 o 1.044000       1.388000      ?             ?      
1 1 1 11 8  72 o 2.624000       1.395000      ?             ?      
1 1 1 11 8  74 o 0.7492000      1.620000      ?             ?      
1 1 1 11 8  75 o 4.173000       1.826000      ?             ?      
1 1 1 11 9  0  o 39.09000       1.403000      730.3358      90.0   
1 1 1 11 9  1  o 45.59000       1.591000      879.9313      72.9   
1 1 1 11 9  2  o 91.19000       2.428000      1383.810      -80.1  
1 1 1 11 9  3  o 7.441000       0.4757000     415.3802      -18.1  
1 1 1 11 9  4  o 89.09000       2.975000      971.0977      -13.6  
1 1 1 11 9  5  o 70.10000       1.961000      1318.549      44.3   
1 1 1 11 9  6  o 32.09000       0.9563000     568.4176      -79.6  
1 1 1 11 9  7  o 16.24000       0.6035000     722.2463      -150.8 
1 1 1 11 9  8  o 125.1000       2.546000      1454.542      -141.2 
1 1 1 11 9  9  o 96.18000       2.287000      1110.084      155.3  
1 1 1 11 9  10 o 166.1000       3.867000      1573.993      177.6  
1 1 1 11 9  11 o 407.6000       9.787000      2513.419      -153.2 
1 1 1 11 9  12 o 109.3000       2.462000      1459.896      81.4   
1 1 1 11 9  13 o 20.92000       0.7894000     642.2875      -13.3  
1 1 1 11 9  14 o 11.78000       0.6613000     637.3603      179.2  
1 1 1 11 9  15 o 551.1000       11.72000      2915.932      120.7  
1 1 1 11 9  16 o 206.3000       4.156000      1844.758      21.0   
1 1 1 11 9  17 o 898.7000       17.67000      ?             ?      
1 1 1 11 9  18 o 146.5000       3.024000      1839.239      -100.9 
1 1 1 11 9  19 o 129.4000       2.717000      1573.380      -4.3   
1 1 1 11 9  20 o 558.7000       11.91000      2798.064      -146.9 
1 1 1 11 9  21 o 68.54000       1.786000      1418.776      52.8   
1 1 1 11 9  22 o 112.6000       2.455000      1719.136      155.0  
1 1 1 11 9  23 o 43.98000       1.405000      444.4799      -121.9 
1 1 1 11 9  24 o 107.7000       2.973000      1550.900      -116.9 
1 1 1 11 9  25 o 281.6000       6.190000      2018.052      33.4   
1 1 1 11 9  26 o 24.73000       1.320000      710.6302      8.2    
1 1 1 11 9  27 o 96.70000       3.175000      1523.204      -70.9  
1 1 1 11 9  28 o 369.1000       9.593000      2602.155      33.3   
1 1 1 11 9  29 o 257.1000       5.317000      2399.348      -11.6  
1 1 1 11 9  30 o 56.50000       1.736000      718.1860      -93.0  
1 1 1 11 9  31 o 186.1000       3.985000      1715.551      97.2   
1 1 1 11 9  32 o 84.22000       2.133000      1160.333      -5.2   
1 1 1 11 9  33 o 87.29000       2.190000      1129.596      33.1   
1 1 1 11 9  34 o 44.35000       1.642000      732.4564      139.4  
1 1 1 11 9  35 o 67.47000       2.146000      1483.655      -40.4  
1 1 1 11 9  36 o 39.17000       1.828000      817.6593      -132.2 
1 1 1 11 9  37 o 88.58000       2.394000      1469.050      -68.9  
1 1 1 11 9  38 o 35.32000       1.370000      821.1316      -64.2  
1 1 1 11 9  39 o 91.57000       2.256000      1225.039      -106.0 
1 1 1 11 9  40 o 18.40000       1.163000      710.6454      75.7   
1 1 1 11 9  41 o 81.63000       2.086000      1334.098      -45.4  
1 1 1 11 9  42 o 24.93000       1.226000      704.7651      -123.3 
1 1 1 11 9  43 o 22.24000       1.199000      448.9114      -83.9  
1 1 1 11 9  44 o 23.14000       1.374000      765.4014      -7.7   
1 1 1 11 9  45 o 47.96000       2.105000      1279.372      172.8  
1 1 1 11 9  46 o 33.21000       1.572000      928.1463      137.0  
1 1 1 11 9  47 o 45.60000       1.586000      881.2587      102.2  
1 1 1 11 9  48 o 26.87000       1.350000      759.9514      11.6   
1 1 1 11 9  49 o 20.82000       1.306000      892.5118      -63.8  
1 1 1 11 9  50 o 81.79000       2.229000      1527.568      103.4  
1 1 1 11 9  51 o 25.59000       1.424000      699.9023      128.2  
1 1 1 11 9  52 o 115.8000       3.093000      ?             ?      
1 1 1 11 9  53 o 7.072000       1.735000      429.3262      -76.0  
1 1 1 11 9  54 o 45.10000       2.373000      1082.273      79.2   
1 1 1 11 9  55 o 69.14000       2.319000      ?             ?      
1 1 1 11 9  56 o 33.67000       1.673000      712.9356      160.2  
1 1 1 11 9  57 f 10.06000       1.420000      571.0105      -35.5  
1 1 1 11 9  58 o 19.10000       1.521000      859.6840      130.9  
1 1 1 11 9  59 o 0.2704000      1.361000      96.84095      174.8  
1 1 1 11 9  60 o 1.817000       1.564000      ?             ?      
1 1 1 11 9  61 o 7.692000       1.626000      ?             ?      
1 1 1 11 9  62 o 2.618000       1.376000      ?             ?      
1 1 1 11 9  63 o 5.811000       1.393000      ?             ?      
1 1 1 11 9  64 o -0.5776000     1.412000      ?             ?      
1 1 1 11 9  65 o 3.348000       1.453000      ?             ?      
1 1 1 11 9  66 o 3.560000       1.454000      ?             ?      
1 1 1 11 9  67 o 12.13000       1.741000      ?             ?      
1 1 1 11 9  68 o 1.937000       1.932000      ?             ?      
1 1 1 11 9  69 o 1.665000       1.945000      ?             ?      
1 1 1 11 9  70 o 2.830000       1.578000      ?             ?      
1 1 1 11 9  71 o 1.296000       1.461000      ?             ?      
1 1 1 11 9  72 o 0.1467000      1.382000      ?             ?      
1 1 1 11 9  73 o -2.686000      1.488000      ?             ?      
1 1 1 11 9  74 o 4.653000       1.817000      ?             ?      
1 1 1 11 9  75 o 4.296000       1.667000      ?             ?      
1 1 1 11 10 0  o 1.325000       0.6064000     74.55935      90.0   
1 1 1 11 10 1  o 113.3000       3.743000      1502.297      63.3   
1 1 1 11 10 2  o 173.0000       5.325000      1472.817      80.4   
1 1 1 11 10 3  o 59.98000       1.672000      1006.964      93.2   
1 1 1 11 10 4  o 92.77000       2.697000      1192.787      -127.9 
1 1 1 11 10 5  o 25.40000       0.8943000     1289.616      -103.0 
1 1 1 11 10 6  o 182.9000       3.771000      1559.056      140.2  
1 1 1 11 10 7  o 71.10000       1.671000      1506.596      162.7  
1 1 1 11 10 8  f 54.34000       1.218000      501.1739      29.7   
1 1 1 11 10 9  o 77.23000       1.770000      875.1580      -133.5 
1 1 1 11 10 10 o 159.8000       3.510000      1969.012      -59.5  
1 1 1 11 10 11 o 320.1000       6.863000      2272.540      -164.2 
1 1 1 11 10 12 o 102.6000       2.322000      1479.350      24.9   
1 1 1 11 10 13 o 256.2000       6.248000      2176.761      171.7  
1 1 1 11 10 14 o 88.54000       2.184000      1873.884      -59.9  
1 1 1 11 10 15 o 19.90000       0.7858000     928.9696      95.4   
1 1 1 11 10 16 o 267.9000       5.791000      1696.085      -14.0  
1 1 1 11 10 17 o 124.7000       2.612000      1866.786      -115.2 
1 1 1 11 10 18 o 132.4000       2.996000      1300.029      -44.1  
1 1 1 11 10 19 o 732.8000       15.60000      3886.561      24.5   
1 1 1 11 10 20 o 129.4000       2.746000      1573.967      -147.1 
1 1 1 11 10 21 o 118.1000       2.743000      1884.305      -22.2  
1 1 1 11 10 22 o 1.752000       1.014000      186.5134      -172.5 
1 1 1 11 10 23 o 16.58000       0.9975000     303.7257      131.1  
1 1 1 11 10 24 o 27.21000       1.111000      462.9470      159.3  
1 1 1 11 10 25 o 353.5000       7.700000      1879.242      14.4   
1 1 1 11 10 26 o 344.4000       8.935000      2510.486      -149.4 
1 1 1 11 10 27 o 16.32000       1.463000      477.2224      16.2   
1 1 1 11 10 28 o 8.938000       1.360000      715.3986      10.1   
1 1 1 11 10 29 o 332.3000       6.745000      2759.312      -16.3  
1 1 1 11 10 30 o 89.27000       2.258000      1483.928      -47.9  
1 1 1 11 10 31 o 80.83000       2.087000      1333.354      173.6  
1 1 1 11 10 32 o 35.08000       1.377000      664.9087      99.3   
1 1 1 11 10 33 o 65.44000       1.817000      1050.822      75.7   
1 1 1 11 10 34 o 47.76000       1.557000      1266.458      128.6  
1 1 1 11 10 35 o 6.921000       1.188000      184.6766      -154.0 
1 1 1 11 10 36 o 206.3000       5.404000      1970.633      88.3   
1 1 1 11 10 37 o 84.82000       2.514000      1364.439      46.3   
1 1 1 11 10 38 o 7.310000       1.170000      201.8371      -179.5 
1 1 1 11 10 39 o 43.61000       1.482000      866.7875      107.9  
1 1 1 11 10 40 o 130.5000       2.956000      2010.708      -38.7  
1 1 1 11 10 41 o 35.87000       1.372000      720.6804      153.1  
1 1 1 11 10 42 o 102.7000       2.458000      1457.724      53.7   
1 1 1 11 10 43 o 6.895000       1.065000      593.9159      158.4  
1 1 1 11 10 44 o 4.414000       1.175000      303.3096      -36.5  
1 1 1 11 10 45 o 45.60000       1.788000      754.5759      -30.9  
1 1 1 11 10 46 o 59.03000       1.904000      1199.391      -136.4 
1 1 1 11 10 47 o 7.049000       1.133000      457.5673      98.5   
1 1 1 11 10 48 o 8.045000       1.164000      366.0074      123.6  
1 1 1 11 10 49 o 24.99000       1.360000      567.2737      40.8   
1 1 1 11 10 50 o 23.50000       1.375000      685.2234      -48.8  
1 1 1 11 10 51 o 20.96000       1.379000      695.5931      176.1  
1 1 1 11 10 52 o 24.73000       1.567000      671.2607      114.9  
1 1 1 11 10 53 o 14.67000       1.608000      597.2846      -113.1 
1 1 1 11 10 54 o 2.715000       1.771000      361.3498      94.9   
1 1 1 11 10 55 o 9.825000       1.515000      513.5259      114.2  
1 1 1 11 10 56 o 21.92000       1.521000      732.8080      122.6  
1 1 1 11 10 57 o 13.05000       1.449000      719.8906      -122.5 
1 1 1 11 10 58 o 46.82000       1.860000      ?             ?      
1 1 1 11 10 59 o 2.843000       1.538000      332.3134      -161.2 
1 1 1 11 10 60 o 30.72000       2.138000      ?             ?      
1 1 1 11 10 61 o 15.02000       1.686000      ?             ?      
1 1 1 11 10 62 o 0.5200000      1.363000      ?             ?      
1 1 1 11 10 63 o 11.57000       1.417000      ?             ?      
1 1 1 11 10 64 o 10.50000       1.399000      ?             ?      
1 1 1 11 10 66 o 9.390000       1.478000      ?             ?      
1 1 1 11 10 67 o 2.765000       1.429000      ?             ?      
1 1 1 11 10 68 o 0.6135000      1.628000      ?             ?      
1 1 1 11 10 69 o 9.731000       1.873000      ?             ?      
1 1 1 11 10 70 o 1.249000       1.687000      ?             ?      
1 1 1 11 10 71 o 5.231000       1.503000      ?             ?      
1 1 1 11 10 72 o 0.9340000      1.507000      ?             ?      
1 1 1 11 10 73 o 0.8621000      1.602000      ?             ?      
1 1 1 11 10 74 o 1.479000       1.781000      ?             ?      
1 1 1 11 11 0  o 33.36000       1.588000      328.0458      90.0   
1 1 1 11 11 1  o 47.67000       1.767000      725.7145      -147.2 
1 1 1 11 11 2  o 5.816000       0.5667000     346.6836      120.4  
1 1 1 11 11 3  o 97.58000       3.196000      1632.399      -85.1  
1 1 1 11 11 4  o 0.3014000      0.4376000     268.0229      109.1  
1 1 1 11 11 5  o 45.64000       1.391000      1067.033      15.1   
1 1 1 11 11 6  o 227.4000       4.727000      2101.019      -134.4 
1 1 1 11 11 7  o 9.876000       0.5431000     875.2867      112.8  
1 1 1 11 11 8  o 643.3000       12.65000      3352.814      -147.9 
1 1 1 11 11 9  o 5.829000       0.4377000     310.9045      -104.5 
1 1 1 11 11 10 o 13.75000       0.6533000     464.7298      53.8   
1 1 1 11 11 11 o 52.81000       1.720000      961.4113      125.2  
1 1 1 11 11 12 o 48.50000       1.256000      853.6224      -38.6  
1 1 1 11 11 13 o 123.0000       2.768000      1856.369      81.3   
1 1 1 11 11 14 o 348.4000       7.985000      2196.189      87.9   
1 1 1 11 11 15 o 260.1000       6.012000      2090.551      51.1   
1 1 1 11 11 16 o 229.6000       4.998000      2120.361      -93.8  
1 1 1 11 11 17 o 564.0000       12.01000      3429.430      57.3   
1 1 1 11 11 18 o 250.5000       5.434000      2171.419      59.1   
1 1 1 11 11 19 o 1.792000       0.8938000     550.8503      -47.7  
1 1 1 11 11 20 o 869.6000       18.47000      4248.195      128.6  
1 1 1 11 11 21 o 24.21000       0.9535000     608.0932      42.3   
1 1 1 11 11 22 o 98.85000       2.404000      1600.033      -137.5 
1 1 1 11 11 23 o 91.08000       2.287000      1662.411      171.3  
1 1 1 11 11 24 o 712.3000       14.08000      3143.110      51.9   
1 1 1 11 11 25 o 229.7000       5.432000      2253.389      11.9   
1 1 1 11 11 26 o 189.8000       7.919000      1655.271      -109.9 
1 1 1 11 11 27 o 252.4000       5.996000      2462.703      28.3   
1 1 1 11 11 28 o 298.3000       6.083000      2667.091      76.7   
1 1 1 11 11 29 o 139.0000       3.112000      1747.699      -46.3  
1 1 1 11 11 30 o 129.0000       2.912000      1655.892      178.0  
1 1 1 11 11 31 o 75.83000       1.963000      1596.280      73.9   
1 1 1 11 11 32 o 40.23000       1.663000      1144.845      -30.6  
1 1 1 11 11 33 o 282.0000       5.788000      2446.908      76.4   
1 1 1 11 11 34 o 229.6000       4.787000      2080.994      118.9  
1 1 1 11 11 35 o 220.2000       4.984000      2025.607      141.4  
1 1 1 11 11 36 o 62.57000       2.053000      1056.928      -148.1 
1 1 1 11 11 37 o 42.96000       1.895000      1049.745      -112.9 
1 1 1 11 11 38 o 44.93000       1.632000      1218.880      -178.9 
1 1 1 11 11 39 o 118.9000       2.755000      1684.625      -26.0  
1 1 1 11 11 40 o 22.47000       1.195000      456.4557      -124.3 
1 1 1 11 11 41 o 85.00000       2.142000      1164.055      -37.8  
1 1 1 11 11 42 o 37.35000       1.409000      795.1026      -138.7 
1 1 1 11 11 43 o 52.79000       1.849000      1212.592      -169.8 
1 1 1 11 11 44 o 5.739000       1.396000      224.8991      -121.7 
1 1 1 11 11 45 o 53.03000       1.895000      1043.906      -107.4 
1 1 1 11 11 46 o 5.173000       1.113000      344.2263      41.4   
1 1 1 11 11 47 o 8.109000       1.154000      345.0945      171.3  
1 1 1 11 11 48 o 41.78000       1.556000      983.7203      143.1  
1 1 1 11 11 49 o 38.71000       1.536000      955.6589      61.5   
1 1 1 11 11 50 o 13.34000       1.267000      566.1329      53.2   
1 1 1 11 11 51 o 46.10000       1.684000      1010.900      -155.8 
1 1 1 11 11 52 o 75.44000       2.172000      ?             ?      
1 1 1 11 11 53 o 60.76000       2.135000      1125.823      102.5  
1 1 1 11 11 54 o 0.1727000      1.766000      277.1232      127.3  
1 1 1 11 11 55 o 15.00000       1.723000      513.1810      -156.9 
1 1 1 11 11 56 o 0.5792000      1.451000      147.3386      -170.1 
1 1 1 11 11 57 o 45.20000       1.813000      1072.724      -175.4 
1 1 1 11 11 58 o 27.89000       1.619000      790.9480      150.1  
1 1 1 11 11 59 o 5.097000       1.565000      306.8879      160.4  
1 1 1 11 11 60 o 18.86000       1.784000      ?             ?      
1 1 1 11 11 61 o 1.426000       1.404000      ?             ?      
1 1 1 11 11 62 o 24.22000       1.574000      ?             ?      
1 1 1 11 11 63 o 9.744000       1.402000      ?             ?      
1 1 1 11 11 64 o 0.8802000E-01  1.333000      ?             ?      
1 1 1 11 11 65 o 5.570000       1.359000      ?             ?      
1 1 1 11 11 66 o 8.614000       1.364000      ?             ?      
1 1 1 11 11 67 o 5.870000       1.345000      ?             ?      
1 1 1 11 11 68 o 0.8699000      1.544000      ?             ?      
1 1 1 11 11 69 o 4.155000       2.323000      ?             ?      
1 1 1 11 11 70 o 1.468000       1.860000      ?             ?      
1 1 1 11 11 71 o 5.943000       1.741000      ?             ?      
1 1 1 11 11 72 o 3.200000       1.774000      ?             ?      
1 1 1 11 11 73 o 4.047000       2.725000      ?             ?      
1 1 1 11 11 74 o 2.411000       1.807000      ?             ?      
1 1 1 11 12 0  o 7.442000       0.7743000     201.5436      -90.0  
1 1 1 11 12 1  o 42.51000       1.534000      828.4827      139.4  
1 1 1 11 12 2  o 46.83000       1.722000      1197.627      163.5  
1 1 1 11 12 3  o 79.50000       2.118000      1176.869      168.3  
1 1 1 11 12 4  o 80.89000       2.356000      1244.652      16.7   
1 1 1 11 12 5  o 15.37000       0.6739000     696.8109      -59.8  
1 1 1 11 12 6  o 391.3000       7.979000      2607.576      125.7  
1 1 1 11 12 7  o 272.1000       5.850000      2951.423      -75.8  
1 1 1 11 12 8  o 120.8000       3.492000      1414.981      -156.4 
1 1 1 11 12 9  o 46.68000       1.182000      650.3246      -62.3  
1 1 1 11 12 10 o 68.37000       1.708000      1384.864      -160.5 
1 1 1 11 12 11 o 77.31000       2.168000      1172.655      178.4  
1 1 1 11 12 12 o 35.87000       1.088000      686.6619      74.5   
1 1 1 11 12 13 o 197.3000       4.628000      2078.566      171.9  
1 1 1 11 12 14 o 108.6000       3.026000      1293.778      -47.9  
1 1 1 11 12 15 o 303.4000       7.002000      2236.052      -174.6 
1 1 1 11 12 16 o 52.29000       1.489000      1103.756      160.8  
1 1 1 11 12 17 o 233.3000       5.455000      1936.327      -145.4 
1 1 1 11 12 18 o 10.98000       0.7553000     416.3573      106.7  
1 1 1 11 12 19 o 39.02000       1.105000      872.2748      133.9  
1 1 1 11 12 20 o 160.7000       3.637000      1779.794      -77.5  
1 1 1 11 12 21 o 263.9000       5.775000      2148.262      -177.8 
1 1 1 11 12 22 o 41.03000       1.250000      704.4272      -129.5 
1 1 1 11 12 23 o 58.66000       1.556000      1017.533      158.4  
1 1 1 11 12 24 o 486.7000       9.690000      3015.778      39.3   
1 1 1 11 12 25 o 55.47000       1.774000      1081.116      177.5  
1 1 1 11 12 26 o 348.2000       9.015000      2701.193      -178.0 
1 1 1 11 12 27 o 172.9000       4.263000      2012.846      44.6   
1 1 1 11 12 28 o 194.4000       4.111000      1892.562      -26.8  
1 1 1 11 12 29 o 93.40000       2.297000      1941.282      -38.4  
1 1 1 11 12 30 o 146.5000       3.219000      1824.120      175.8  
1 1 1 11 12 31 o 33.21000       1.316000      967.7189      159.1  
1 1 1 11 12 32 o 57.33000       1.666000      1258.580      119.9  
1 1 1 11 12 33 o 322.5000       6.557000      2693.359      -115.7 
1 1 1 11 12 34 o 68.96000       1.865000      1313.352      156.1  
1 1 1 11 12 35 o 83.02000       2.275000      1417.474      -57.6  
1 1 1 11 12 36 o 3.966000       1.209000      391.6577      71.6   
1 1 1 11 12 37 o 23.92000       1.590000      627.1049      71.7   
1 1 1 11 12 38 o 5.503000       1.285000      249.4598      -92.2  
1 1 1 11 12 39 o 116.9000       2.942000      1475.676      -129.7 
1 1 1 11 12 40 o 16.77000       1.127000      512.8859      13.2   
1 1 1 11 12 41 o 9.505000       1.067000      557.4567      -60.1  
1 1 1 11 12 42 o 130.7000       2.996000      1701.321      22.7   
1 1 1 11 12 43 o 43.40000       1.699000      1011.091      -75.9  
1 1 1 11 12 44 o 63.89000       2.129000      1233.777      -67.8  
1 1 1 11 12 45 o 20.05000       1.244000      797.2092      -20.6  
1 1 1 11 12 46 o 23.18000       1.275000      863.8209      -94.5  
1 1 1 11 12 47 o 15.75000       1.220000      797.4526      -175.4 
1 1 1 11 12 48 o 12.01000       1.201000      498.2096      93.4   
1 1 1 11 12 49 o 11.13000       1.307000      371.3849      -158.9 
1 1 1 11 12 50 o 27.99000       1.421000      646.8464      -153.6 
1 1 1 11 12 51 o 3.589000       1.220000      186.3051      -33.1  
1 1 1 11 12 52 o 28.47000       1.480000      681.1427      -114.6 
1 1 1 11 12 53 o 30.70000       1.680000      840.9956      -46.8  
1 1 1 11 12 54 o 22.28000       1.750000      717.1887      141.0  
1 1 1 11 12 55 o 37.47000       2.226000      899.2827      -13.2  
1 1 1 11 12 56 o 5.656000       1.505000      415.0453      -85.7  
1 1 1 11 12 57 o 8.836000       1.418000      404.7504      -89.6  
1 1 1 11 12 58 o 22.32000       1.624000      753.5762      5.9    
1 1 1 11 12 59 o 7.778000       1.792000      ?             ?      
1 1 1 11 12 60 o 33.84000       1.940000      ?             ?      
1 1 1 11 12 61 o 20.69000       1.545000      ?             ?      
1 1 1 11 12 62 o 7.057000       1.393000      ?             ?      
1 1 1 11 12 63 o 26.07000       1.582000      ?             ?      
1 1 1 11 12 64 o 3.709000       1.333000      ?             ?      
1 1 1 11 12 65 o 1.810000       1.317000      ?             ?      
1 1 1 11 12 66 o 0.2765000      1.303000      ?             ?      
1 1 1 11 12 67 o 3.939000       1.333000      ?             ?      
1 1 1 11 12 68 o 0.9217000E-01  1.340000      ?             ?      
1 1 1 11 12 69 o 3.616000       1.500000      ?             ?      
1 1 1 11 12 70 o 0.7622000E-01  1.725000      ?             ?      
1 1 1 11 12 72 o 0.2568000      1.590000      ?             ?      
1 1 1 11 12 73 o 5.903000       1.786000      ?             ?      
1 1 1 11 12 74 o 3.326000       1.798000      ?             ?      
1 1 1 11 13 0  o 1.102000       0.6698000     237.6635      -90.0  
1 1 1 11 13 1  o 31.34000       1.203000      1047.606      179.9  
1 1 1 11 13 2  o 183.4000       6.285000      1906.187      -160.0 
1 1 1 11 13 3  o 29.17000       1.022000      908.8445      -98.3  
1 1 1 11 13 4  o 105.0000       2.484000      1515.578      61.5   
1 1 1 11 13 5  o 2.749000       0.4456000     182.4848      123.1  
1 1 1 11 13 6  o 4.237000       0.4937000     586.3200      129.6  
1 1 1 11 13 7  o 51.51000       1.890000      1081.267      -145.6 
1 1 1 11 13 8  o 19.20000       0.8357000     497.3775      27.8   
1 1 1 11 13 9  o 84.61000       2.237000      1304.657      86.0   
1 1 1 11 13 10 o 77.89000       2.176000      1214.840      62.9   
1 1 1 11 13 11 o 5.988000       0.7070000     747.3970      53.7   
1 1 1 11 13 12 o 61.88000       1.503000      1185.820      -146.5 
1 1 1 11 13 13 o 866.9000       20.73000      3685.438      47.8   
1 1 1 11 13 14 o 18.82000       0.9697000     548.9283      -44.0  
1 1 1 11 13 15 o 3.731000       0.8060000     699.8306      159.5  
1 1 1 11 13 16 o 123.7000       3.025000      1515.156      165.6  
1 1 1 11 13 17 o 159.4000       4.064000      1437.468      74.8   
1 1 1 11 13 18 o 107.8000       2.929000      1446.520      -53.6  
1 1 1 11 13 19 f 13.91000       0.8376000     721.3362      -121.3 
1 1 1 11 13 20 o 251.5000       5.097000      2280.215      57.5   
1 1 1 11 13 21 o 161.6000       3.397000      1861.392      -3.2   
1 1 1 11 13 22 o 92.02000       2.113000      1535.981      171.3  
1 1 1 11 13 23 o 265.6000       5.396000      2326.475      112.2  
1 1 1 11 13 24 o 59.74000       1.818000      970.5793      -20.4  
1 1 1 11 13 25 o 72.14000       2.473000      1475.675      -125.2 
1 1 1 11 13 26 o 8.720000       1.202000      335.2555      -56.2  
1 1 1 11 13 27 o 70.90000       1.900000      1288.457      24.4   
1 1 1 11 13 28 o 12.23000       1.166000      651.6874      108.0  
1 1 1 11 13 29 o 4.769000       1.093000      319.6588      -32.8  
1 1 1 11 13 30 o 214.5000       4.487000      2164.483      128.6  
1 1 1 11 13 31 o 2.241000       1.036000      131.7972      76.6   
1 1 1 11 13 32 o 30.63000       1.286000      748.1808      84.0   
1 1 1 11 13 33 o 14.50000       1.102000      633.9736      116.5  
1 1 1 11 13 34 o 41.88000       1.419000      732.3066      49.8   
1 1 1 11 13 35 o 18.85000       1.130000      720.8441      156.6  
1 1 1 11 13 36 o 66.88000       1.980000      1235.125      63.2   
1 1 1 11 13 37 o 7.671000       1.242000      542.6232      -179.8 
1 1 1 11 13 38 o 52.05000       2.059000      1122.563      -52.5  
1 1 1 11 13 39 o 48.04000       1.715000      1032.640      4.4    
1 1 1 11 13 40 o 27.61000       1.267000      677.4383      162.4  
1 1 1 11 13 41 o 51.20000       1.595000      1078.481      45.2   
1 1 1 11 13 42 o 64.69000       2.062000      1108.597      143.2  
1 1 1 11 13 43 o 0.1741000      1.360000      136.3823      166.4  
1 1 1 11 13 44 o 75.08000       2.322000      1091.287      5.8    
1 1 1 11 13 45 o 9.065000       1.154000      545.6113      -3.7   
1 1 1 11 13 46 o 23.13000       1.274000      737.9935      -158.6 
1 1 1 11 13 47 o 48.06000       1.637000      1099.891      156.2  
1 1 1 11 13 48 o 4.690000       1.170000      135.9114      -54.3  
1 1 1 11 13 49 o 23.29000       1.336000      635.9135      1.1    
1 1 1 11 13 50 o 46.35000       1.670000      1085.269      -57.0  
1 1 1 11 13 51 o 3.230000       1.212000      207.6663      -9.6   
1 1 1 11 13 52 o 29.99000       1.497000      943.0521      98.5   
1 1 1 11 13 53 o 8.064000       1.331000      304.3477      83.7   
1 1 1 11 13 55 o 6.163000       1.874000      222.9167      -139.9 
1 1 1 11 13 56 o 40.35000       2.062000      913.3658      126.9  
1 1 1 11 13 57 o 10.75000       1.539000      572.0204      -150.5 
1 1 1 11 13 58 o 1.262000       1.532000      107.1273      171.5  
1 1 1 11 13 59 o 1.607000       1.739000      ?             ?      
1 1 1 11 13 60 o 4.888000       1.445000      ?             ?      
1 1 1 11 13 61 o 3.966000       1.406000      ?             ?      
1 1 1 11 13 62 o 0.5836000      1.354000      ?             ?      
1 1 1 11 13 63 o 13.71000       1.429000      ?             ?      
1 1 1 11 13 64 o 7.625000       1.365000      ?             ?      
1 1 1 11 13 65 o 4.248000       1.341000      ?             ?      
1 1 1 11 13 66 o 2.041000       1.320000      ?             ?      
1 1 1 11 13 67 o 2.112000       1.326000      ?             ?      
1 1 1 11 13 68 o 2.656000       1.332000      ?             ?      
1 1 1 11 13 69 f 3.353000       1.478000      ?             ?      
1 1 1 11 13 70 o 0.5332000      1.709000      ?             ?      
1 1 1 11 13 71 o 0.3968000      1.795000      ?             ?      
1 1 1 11 13 72 o -1.065000      1.582000      ?             ?      
1 1 1 11 13 73 o 3.223000       1.613000      ?             ?      
1 1 1 11 13 74 o 2.671000       1.549000      ?             ?      
1 1 1 11 14 0  o 67.41000       2.837000      1283.244      -90.0  
1 1 1 11 14 1  o 4.509000       0.6120000     340.0652      -84.9  
1 1 1 11 14 2  o 43.09000       1.383000      1065.864      144.6  
1 1 1 11 14 3  o 3.451000       0.5134000     275.3529      -138.8 
1 1 1 11 14 4  o 34.85000       1.092000      958.8658      108.3  
1 1 1 11 14 5  o 12.25000       0.6757000     575.7108      -104.5 
1 1 1 11 14 6  o 104.8000       2.788000      1718.658      -117.1 
1 1 1 11 14 7  o 80.02000       2.109000      1495.441      -70.6  
1 1 1 11 14 8  o 340.8000       8.391000      2959.887      156.0  
1 1 1 11 14 9  o 49.98000       1.522000      700.2202      140.2  
1 1 1 11 14 10 o 216.5000       5.577000      2397.099      155.7  
1 1 1 11 14 11 o 50.55000       1.565000      982.5909      -108.0 
1 1 1 11 14 12 o 121.1000       3.312000      1465.882      149.3  
1 1 1 11 14 13 o 37.32000       1.157000      752.6100      -76.5  
1 1 1 11 14 14 o 483.2000       12.31000      3173.112      155.2  
1 1 1 11 14 15 o 250.5000       5.813000      2068.624      -148.3 
1 1 1 11 14 16 o 4.167000       0.9696000     251.2376      -9.3   
1 1 1 11 14 17 o 513.8000       11.75000      3144.461      -100.0 
1 1 1 11 14 18 o 172.5000       4.423000      1805.647      73.6   
1 1 1 11 14 19 o 161.7000       3.365000      1749.842      126.0  
1 1 1 11 14 20 o 53.12000       1.407000      941.5217      -49.7  
1 1 1 11 14 21 o 209.4000       4.300000      2310.174      -165.9 
1 1 1 11 14 22 f 145.6000       3.113000      1685.334      -56.9  
1 1 1 11 14 23 o 20.00000       1.044000      876.5850      138.8  
1 1 1 11 14 24 o 123.1000       3.479000      1789.840      38.3   
1 1 1 11 14 25 o 16.31000       1.315000      812.8372      -88.6  
1 1 1 11 14 26 o 116.4000       3.061000      1579.285      114.5  
1 1 1 11 14 27 o 36.42000       1.391000      989.9158      101.9  
1 1 1 11 14 28 o 19.75000       1.193000      876.0721      -157.0 
1 1 1 11 14 29 o 14.51000       1.093000      539.3708      -94.5  
1 1 1 11 14 30 o 25.31000       1.223000      562.7567      65.9   
1 1 1 11 14 31 o 67.90000       1.832000      1454.086      -96.7  
1 1 1 11 14 32 o 41.62000       1.429000      811.8688      -95.5  
1 1 1 11 14 33 o 129.4000       2.907000      1661.828      173.9  
1 1 1 11 14 34 o 47.17000       1.500000      975.2367      143.2  
1 1 1 11 14 35 o 5.407000       1.004000      415.2804      -136.4 
1 1 1 11 14 36 o 24.03000       1.316000      1049.437      160.5  
1 1 1 11 14 37 o 35.49000       1.576000      990.0386      -148.2 
1 1 1 11 14 38 o 20.28000       1.563000      638.7559      156.1  
1 1 1 11 14 39 o 0.8281000      1.258000      147.5358      72.4   
1 1 1 11 14 40 o 8.986000       1.187000      306.1526      152.4  
1 1 1 11 14 41 o 3.976000       1.046000      282.8819      -48.6  
1 1 1 11 14 42 o 4.510000       1.177000      320.1660      62.8   
1 1 1 11 14 43 o 18.06000       1.549000      804.8834      -128.4 
1 1 1 11 14 44 o 0.7708000      1.084000      111.1562      9.7    
1 1 1 11 14 45 o 17.27000       1.212000      487.9183      13.4   
1 1 1 11 14 46 o 26.53000       1.334000      783.3440      -127.3 
1 1 1 11 14 47 o 35.05000       1.456000      839.7559      36.9   
1 1 1 11 14 48 o 32.15000       1.433000      983.3116      164.7  
1 1 1 11 14 49 o 6.308000       1.173000      278.6736      66.9   
1 1 1 11 14 50 o 2.728000       1.191000      114.7657      -23.9  
1 1 1 11 14 51 o 5.603000       1.227000      464.3342      -21.6  
1 1 1 11 14 52 o 24.77000       1.441000      652.7123      136.5  
1 1 1 11 14 53 o 5.097000       1.293000      312.1553      70.8   
1 1 1 11 14 54 o 5.315000       1.571000      377.6808      -73.9  
1 1 1 11 14 55 o 19.46000       1.768000      730.1730      -27.0  
1 1 1 11 14 56 o 3.736000       1.865000      328.8864      -93.3  
1 1 1 11 14 57 o 11.15000       1.639000      487.6984      23.4   
1 1 1 11 14 58 o 8.073000       1.769000      410.7464      -44.3  
1 1 1 11 14 59 o 4.995000       1.593000      ?             ?      
1 1 1 11 14 60 o 5.031000       1.395000      ?             ?      
1 1 1 11 14 61 o 18.38000       1.514000      ?             ?      
1 1 1 11 14 62 o 9.678000       1.397000      ?             ?      
1 1 1 11 14 63 o 0.1087000      1.309000      ?             ?      
1 1 1 11 14 64 o 6.996000       1.361000      ?             ?      
1 1 1 11 14 65 o 6.358000       1.341000      ?             ?      
1 1 1 11 14 66 o 10.34000       1.377000      ?             ?      
1 1 1 11 14 67 o 2.406000       1.325000      ?             ?      
1 1 1 11 14 68 o 3.259000       1.348000      ?             ?      
1 1 1 11 14 69 o 1.355000       1.470000      ?             ?      
1 1 1 11 14 70 o 1.446000       1.575000      ?             ?      
1 1 1 11 14 71 o -1.595000      2.260000      ?             ?      
1 1 1 11 14 72 o 1.775000       2.182000      ?             ?      
1 1 1 11 14 73 o 0.9560000      1.607000      ?             ?      
1 1 1 11 14 74 o 3.553000       1.432000      ?             ?      
1 1 1 11 15 0  o 16.03000       1.074000      371.1810      90.0   
1 1 1 11 15 1  o 81.03000       2.267000      1461.645      -141.2 
1 1 1 11 15 2  o 18.44000       1.196000      975.7348      8.3    
1 1 1 11 15 3  o 1.014000       0.5440000     251.9955      -135.4 
1 1 1 11 15 4  o 164.5000       4.242000      1537.976      37.5   
1 1 1 11 15 5  o 112.0000       2.997000      1366.089      -117.9 
1 1 1 11 15 6  o 2.836000       0.5309000     400.3372      95.2   
1 1 1 11 15 7  o 25.77000       1.054000      950.2065      171.8  
1 1 1 11 15 8  o 81.49000       2.500000      1639.388      33.6   
1 1 1 11 15 9  o 14.82000       0.9338000     754.4451      -63.9  
1 1 1 11 15 10 o 1.118000       0.6497000     499.1655      -165.7 
1 1 1 11 15 11 o 16.68000       0.9152000     385.8022      -168.7 
1 1 1 11 15 12 o 29.76000       0.9811000     1015.032      4.4    
1 1 1 11 15 13 o 89.42000       2.242000      1549.198      166.9  
1 1 1 11 15 14 o 19.03000       0.8101000     905.9174      -88.1  
1 1 1 11 15 15 o 17.01000       1.024000      480.9309      69.7   
1 1 1 11 15 16 o 125.1000       2.874000      1578.106      78.7   
1 1 1 11 15 17 o 21.69000       1.063000      671.1013      103.4  
1 1 1 11 15 18 o 151.6000       3.690000      1633.652      26.3   
1 1 1 11 15 19 o 21.71000       1.018000      730.8942      100.4  
1 1 1 11 15 20 o 139.6000       3.212000      1732.450      -13.1  
1 1 1 11 15 21 o 107.1000       2.387000      1601.213      -43.8  
1 1 1 11 15 22 o 53.35000       1.482000      1080.784      160.5  
1 1 1 11 15 23 o 63.23000       1.795000      982.5037      23.8   
1 1 1 11 15 24 o 80.01000       2.491000      1125.682      -59.5  
1 1 1 11 15 25 o 116.6000       3.051000      2038.795      -177.1 
1 1 1 11 15 26 o 250.2000       5.173000      2438.454      -25.6  
1 1 1 11 15 27 o 47.86000       1.563000      1210.927      -34.9  
1 1 1 11 15 28 o 63.53000       1.768000      1460.563      118.3  
1 1 1 11 15 29 o 65.13000       1.880000      1149.406      129.3  
1 1 1 11 15 30 o 104.7000       2.461000      1359.804      81.3   
1 1 1 11 15 31 o 154.6000       3.376000      1703.415      167.3  
1 1 1 11 15 32 o 295.0000       6.037000      2498.504      -40.8  
1 1 1 11 15 33 o 105.4000       2.489000      1548.999      -31.2  
1 1 1 11 15 34 o 12.14000       1.062000      731.6734      154.5  
1 1 1 11 15 35 o 15.13000       1.072000      721.0981      41.5   
1 1 1 11 15 36 o 44.94000       1.465000      1197.055      45.7   
1 1 1 11 15 37 o 57.33000       1.839000      1372.153      -96.2  
1 1 1 11 15 38 o 50.95000       1.850000      1042.518      -3.5   
1 1 1 11 15 39 o 111.5000       3.300000      1542.847      112.9  
1 1 1 11 15 40 o 34.58000       1.857000      704.3040      111.8  
1 1 1 11 15 41 o 35.81000       1.572000      855.4105      12.0   
1 1 1 11 15 42 o 51.12000       2.150000      822.6514      -161.7 
1 1 1 11 15 43 o 28.45000       1.480000      726.4099      6.0    
1 1 1 11 15 44 o 9.860000       1.128000      287.4243      165.4  
1 1 1 11 15 45 o 53.11000       1.697000      1134.520      142.1  
1 1 1 11 15 46 o 8.169000       1.162000      542.6662      -84.2  
1 1 1 11 15 47 o 4.330000       1.146000      270.1888      -21.4  
1 1 1 11 15 48 o 0.5472000      1.133000      163.6950      39.1   
1 1 1 11 15 49 o 2.514000       1.165000      174.7951      -116.1 
1 1 1 11 15 50 o 16.57000       1.292000      565.0209      -75.5  
1 1 1 11 15 51 o 7.135000       1.241000      381.3567      159.4  
1 1 1 11 15 52 o 19.49000       1.378000      718.8134      22.0   
1 1 1 11 15 53 o 8.202000       1.328000      345.0580      -79.4  
1 1 1 11 15 54 o 23.86000       1.535000      607.3856      -25.1  
1 1 1 11 15 55 o 7.121000       1.513000      429.8574      145.5  
1 1 1 11 15 56 o 11.91000       1.927000      552.0560      98.4   
1 1 1 11 15 57 o 3.042000       1.931000      275.9372      -88.3  
1 1 1 11 15 58 o 5.996000       2.272000      ?             ?      
1 1 1 11 15 59 o 6.573000       1.512000      ?             ?      
1 1 1 11 15 60 o 27.49000       1.627000      ?             ?      
1 1 1 11 15 61 o 0.7259000      1.349000      ?             ?      
1 1 1 11 15 62 o 3.798000       1.355000      ?             ?      
1 1 1 11 15 63 o 0.6521000      1.305000      ?             ?      
1 1 1 11 15 64 o 2.099000       1.327000      ?             ?      
1 1 1 11 15 65 o 1.856000       1.289000      ?             ?      
1 1 1 11 15 66 o 2.296000       1.325000      ?             ?      
1 1 1 11 15 67 o 4.901000       1.353000      ?             ?      
1 1 1 11 15 68 o 2.248000       1.345000      ?             ?      
1 1 1 11 15 69 o 0.3945000      1.342000      ?             ?      
1 1 1 11 15 70 o 0.9763000      1.493000      ?             ?      
1 1 1 11 15 71 o 3.068000       2.250000      ?             ?      
1 1 1 11 15 72 o 3.250000       2.030000      ?             ?      
1 1 1 11 15 73 o 1.287000       1.414000      ?             ?      
1 1 1 11 16 0  o 21.41000       1.222000      872.1625      -90.0  
1 1 1 11 16 1  o 58.77000       2.122000      1102.757      168.4  
1 1 1 11 16 2  o 10.83000       0.8322000     472.1269      -151.2 
1 1 1 11 16 3  o 67.97000       2.374000      1256.808      114.6  
1 1 1 11 16 4  o 5.581000       0.5639000     629.1736      -72.0  
1 1 1 11 16 5  o 58.78000       1.880000      1180.751      -141.9 
1 1 1 11 16 6  o 29.28000       1.167000      628.8332      -26.3  
1 1 1 11 16 7  o 31.12000       1.240000      671.0949      -154.0 
1 1 1 11 16 8  o 23.44000       0.9921000     784.1968      -159.8 
1 1 1 11 16 9  o 28.67000       1.043000      884.9436      -44.2  
1 1 1 11 16 10 o 93.76000       2.624000      1588.301      166.0  
1 1 1 11 16 11 o 116.7000       2.817000      1560.765      -78.6  
1 1 1 11 16 12 o 70.51000       2.079000      1110.666      141.6  
1 1 1 11 16 13 o 51.30000       1.680000      1075.852      72.7   
1 1 1 11 16 14 o 199.9000       4.689000      2039.578      147.1  
1 1 1 11 16 15 o 10.72000       0.9017000     576.7353      -154.8 
1 1 1 11 16 16 o 23.28000       0.9045000     685.4066      159.5  
1 1 1 11 16 17 o 90.85000       2.069000      1352.516      -64.3  
1 1 1 11 16 18 o 15.76000       1.041000      649.8240      79.9   
1 1 1 11 16 19 o 34.73000       1.251000      1004.948      -171.5 
1 1 1 11 16 20 o 102.3000       2.494000      1427.609      -56.5  
1 1 1 11 16 21 o 60.41000       1.717000      999.9416      59.7   
1 1 1 11 16 22 o 43.75000       1.350000      1027.066      101.0  
1 1 1 11 16 23 o 9.006000       1.059000      753.4702      -14.5  
1 1 1 11 16 24 o 9.825000       1.221000      406.4546      25.7   
1 1 1 11 16 25 o 25.10000       1.274000      919.3839      -5.0   
1 1 1 11 16 26 o 8.921000       1.097000      456.7255      135.1  
1 1 1 11 16 27 o 4.352000       1.058000      417.5382      67.3   
1 1 1 11 16 28 o 21.16000       1.160000      649.2101      -97.1  
1 1 1 11 16 29 o 62.91000       1.738000      1041.028      18.5   
1 1 1 11 16 30 o 64.24000       1.753000      974.2485      -129.0 
1 1 1 11 16 31 o 14.23000       1.089000      463.7129      83.6   
1 1 1 11 16 32 o 17.90000       1.137000      524.8344      -104.2 
1 1 1 11 16 33 o 132.8000       2.966000      1632.178      134.1  
1 1 1 11 16 34 o 18.68000       1.106000      494.7464      34.4   
1 1 1 11 16 35 o 16.20000       1.198000      376.6217      44.3   
1 1 1 11 16 36 o 5.466000       0.9965000     338.4316      -116.5 
1 1 1 11 16 37 o 20.04000       1.256000      828.4571      146.6  
1 1 1 11 16 38 o 38.06000       1.628000      810.9034      148.1  
1 1 1 11 16 39 o 23.83000       1.629000      689.7933      166.7  
1 1 1 11 16 40 o 55.78000       2.020000      1073.800      135.8  
1 1 1 11 16 41 o 22.68000       1.531000      734.5836      -67.9  
1 1 1 11 16 42 o 3.941000       1.200000      309.8310      -155.9 
1 1 1 11 16 43 o 10.45000       1.128000      357.2510      -9.1   
1 1 1 11 16 44 o 36.68000       1.438000      963.1495      162.9  
1 1 1 11 16 45 o 9.638000       1.133000      457.0292      4.5    
1 1 1 11 16 46 o 13.38000       1.179000      562.4050      -179.7 
1 1 1 11 16 47 o 36.26000       1.473000      804.2191      66.5   
1 1 1 11 16 48 o 6.045000       1.164000      223.7338      -130.3 
1 1 1 11 16 49 o 13.59000       1.244000      522.2714      -9.3   
1 1 1 11 16 50 o 10.06000       1.244000      556.1173      -87.7  
1 1 1 11 16 51 o 16.64000       1.335000      569.3624      42.3   
1 1 1 11 16 52 o 0.1414000      1.261000      173.4187      7.6    
1 1 1 11 16 53 o 37.45000       1.665000      884.3088      26.2   
1 1 1 11 16 54 o 13.71000       1.413000      569.9300      -80.1  
1 1 1 11 16 55 o 1.579000       1.450000      70.77967      -120.1 
1 1 1 11 16 56 o 4.715000       1.748000      405.8539      17.2   
1 1 1 11 16 57 o 0.9074000      2.589000      68.39526      -122.0 
1 1 1 11 16 58 o 7.855000       1.810000      ?             ?      
1 1 1 11 16 59 o 0.7175000      1.352000      ?             ?      
1 1 1 11 16 60 o 10.61000       1.425000      ?             ?      
1 1 1 11 16 61 o 3.230000       1.343000      ?             ?      
1 1 1 11 16 62 f 0.2940000      1.300000      ?             ?      
1 1 1 11 16 63 o 6.043000       1.327000      ?             ?      
1 1 1 11 16 64 o 1.027000       1.290000      ?             ?      
1 1 1 11 16 65 o 1.708000       1.296000      ?             ?      
1 1 1 11 16 66 o 2.050000       1.318000      ?             ?      
1 1 1 11 16 67 o 0.1665000      1.331000      ?             ?      
1 1 1 11 16 68 o 8.445000       1.390000      ?             ?      
1 1 1 11 16 69 o -0.1960000     1.346000      ?             ?      
1 1 1 11 16 71 o 1.534000       3.681000      ?             ?      
1 1 1 11 16 72 o 0.8463000      2.500000      ?             ?      
1 1 1 11 16 73 o 3.953000       1.541000      ?             ?      
1 1 1 11 17 0  o 4.763000       0.6930000     850.7877      -90.0  
1 1 1 11 17 1  o 2.946000       0.7148000     222.3347      -75.7  
1 1 1 11 17 2  o 0.8692000      0.5533000     165.6104      -117.1 
1 1 1 11 17 3  o 10.11000       0.7240000     616.6343      110.5  
1 1 1 11 17 4  o 15.64000       1.355000      535.0151      -67.2  
1 1 1 11 17 5  o 15.79000       0.7435000     695.6503      -27.2  
1 1 1 11 17 6  o 32.95000       1.288000      941.9267      -59.9  
1 1 1 11 17 7  o 48.32000       1.651000      1179.525      67.9   
1 1 1 11 17 8  o 293.5000       7.555000      2443.787      -7.7   
1 1 1 11 17 9  o 88.77000       2.734000      1503.475      -177.8 
1 1 1 11 17 10 o 7.262000       0.8118000     377.2614      84.4   
1 1 1 11 17 11 o 15.20000       0.9745000     623.7686      6.9    
1 1 1 11 17 12 o 11.19000       0.7413000     534.4028      140.5  
1 1 1 11 17 13 o 93.82000       2.367000      1325.201      158.9  
1 1 1 11 17 14 o 28.30000       1.279000      724.7397      94.9   
1 1 1 11 17 15 o 12.53000       0.7197000     557.6624      98.1   
1 1 1 11 17 16 o 31.99000       1.186000      702.8897      68.9   
1 1 1 11 17 17 o 68.02000       1.911000      1083.058      -79.0  
1 1 1 11 17 18 o 29.96000       1.277000      877.9003      16.6   
1 1 1 11 17 19 o 173.7000       4.229000      2001.274      96.9   
1 1 1 11 17 20 o 8.809000       1.132000      614.3518      7.7    
1 1 1 11 17 21 o 36.22000       1.223000      884.5662      -16.0  
1 1 1 11 17 22 o 36.43000       1.492000      776.0383      -177.5 
1 1 1 11 17 23 o 21.04000       1.299000      493.2377      -151.7 
1 1 1 11 17 24 o 60.69000       1.950000      1265.855      95.7   
1 1 1 11 17 25 o 1.779000       1.042000      285.1725      -21.8  
1 1 1 11 17 26 o 68.83000       1.851000      984.1760      8.4    
1 1 1 11 17 27 o 32.29000       1.262000      783.8600      -97.5  
1 1 1 11 17 28 o 24.94000       1.333000      540.9533      104.6  
1 1 1 11 17 29 o 17.84000       1.111000      354.9205      93.6   
1 1 1 11 17 30 o 1.731000       0.9977000     117.3828      148.8  
1 1 1 11 17 31 o 56.25000       1.628000      888.9803      38.6   
1 1 1 11 17 32 o 50.01000       1.541000      1340.437      -43.8  
1 1 1 11 17 33 o 0.2347000      0.9729000     72.62917      -123.4 
1 1 1 11 17 34 o 13.34000       1.039000      650.7104      162.0  
1 1 1 11 17 35 o 17.95000       1.076000      653.8959      1.8    
1 1 1 11 17 36 o 25.32000       1.183000      811.1739      -34.9  
1 1 1 11 17 37 o 11.33000       1.043000      448.1191      137.7  
1 1 1 11 17 38 o 1.977000       1.104000      121.9578      87.6   
1 1 1 11 17 39 o 6.088000       1.129000      453.7070      159.1  
1 1 1 11 17 40 o 2.842000       1.352000      218.5378      -0.8   
1 1 1 11 17 41 o 13.53000       2.059000      445.1625      -126.0 
1 1 1 11 17 42 o 12.30000       1.417000      516.7640      87.7   
1 1 1 11 17 43 o 2.666000       1.064000      249.5659      -93.6  
1 1 1 11 17 44 o 3.887000       1.083000      267.5681      -144.0 
1 1 1 11 17 45 o 5.907000       1.109000      303.6511      -69.7  
1 1 1 11 17 46 o 0.7950000      1.099000      90.63481      124.0  
1 1 1 11 17 47 o 5.005000       1.134000      235.0852      -52.8  
1 1 1 11 17 48 o 7.267000       1.177000      391.8446      -177.5 
1 1 1 11 17 49 o 1.998000       1.271000      118.3356      -121.2 
1 1 1 11 17 50 o 2.278000       1.202000      284.6624      175.4  
1 1 1 11 17 51 o 5.443000       1.267000      332.0560      136.5  
1 1 1 11 17 52 o 15.61000       1.386000      531.3696      22.8   
1 1 1 11 17 53 o 2.508000       1.322000      314.3875      64.4   
1 1 1 11 17 54 o -0.8448000E-01 1.330000      140.9637      46.7   
1 1 1 11 17 55 o 4.618000       1.473000      358.0679      89.3   
1 1 1 11 17 56 o 7.595000       1.812000      340.1744      -61.0  
1 1 1 11 17 57 o -0.7383000     2.639000      125.8670      98.1   
1 1 1 11 17 58 o 3.360000       1.795000      ?             ?      
1 1 1 11 17 59 o 3.601000       1.355000      ?             ?      
1 1 1 11 17 60 o 1.502000       1.303000      ?             ?      
1 1 1 11 17 61 o 3.781000       1.324000      ?             ?      
1 1 1 11 17 62 o -0.7686000E-01 1.297000      ?             ?      
1 1 1 11 17 63 o 4.461000       1.304000      ?             ?      
1 1 1 11 17 64 o 3.062000       1.315000      ?             ?      
1 1 1 11 17 65 o -0.9309000E-01 1.314000      ?             ?      
1 1 1 11 17 66 o 4.832000       1.345000      ?             ?      
1 1 1 11 17 67 o 1.541000       1.341000      ?             ?      
1 1 1 11 17 68 o 1.648000       1.342000      ?             ?      
1 1 1 11 17 69 o -0.3966000     1.345000      ?             ?      
1 1 1 11 17 70 o 1.327000       1.572000      ?             ?      
1 1 1 11 17 71 o 1.817000       1.813000      ?             ?      
1 1 1 11 17 72 o 2.834000       1.792000      ?             ?      
1 1 1 11 17 73 o -0.9812000     1.515000      ?             ?      
1 1 1 11 18 1  o 2.573000       0.6886000     450.1266      144.8  
1 1 1 11 18 2  o 8.558000       0.7087000     347.9411      -163.1 
1 1 1 11 18 3  o 16.04000       0.7433000     782.0972      -164.8 
1 1 1 11 18 4  o 4.361000       0.6572000     648.9502      104.0  
1 1 1 11 18 5  o 14.99000       0.7752000     635.3151      78.8   
1 1 1 11 18 6  o 6.884000       0.8613000     515.6132      -69.5  
1 1 1 11 18 7  o 7.570000       0.7128000     712.1364      -106.0 
1 1 1 11 18 8  o 4.788000       0.9069000     259.1148      -174.2 
1 1 1 11 18 9  o 19.16000       1.001000      669.9318      106.5  
1 1 1 11 18 10 o 7.019000       0.7752000     518.5888      -72.6  
1 1 1 11 18 11 o 4.336000       0.8536000     403.6346      35.9   
1 1 1 11 18 12 o 34.49000       1.524000      923.6215      165.9  
1 1 1 11 18 13 o 25.03000       0.9035000     804.1679      25.3   
1 1 1 11 18 14 o 77.92000       2.064000      1379.165      -177.7 
1 1 1 11 18 15 o 14.88000       0.8847000     532.2147      -88.4  
1 1 1 11 18 16 o 12.52000       0.8539000     477.7119      -44.5  
1 1 1 11 18 17 o 10.10000       0.8919000     502.8000      -17.4  
1 1 1 11 18 18 o 108.8000       2.670000      1789.870      144.0  
1 1 1 11 18 19 o 30.12000       1.380000      946.1367      149.4  
1 1 1 11 18 20 o 4.015000       1.031000      237.4115      10.4   
1 1 1 11 18 21 o 14.60000       1.331000      660.8712      40.3   
1 1 1 11 18 22 o -0.5500000     1.069000      310.7771      -55.8  
1 1 1 11 18 23 o 83.96000       2.615000      1351.425      -36.2  
1 1 1 11 18 24 o 4.616000       1.058000      248.3608      152.3  
1 1 1 11 18 25 o 10.79000       1.051000      641.1012      -147.1 
1 1 1 11 18 26 o 3.193000       0.9976000     333.4497      69.6   
1 1 1 11 18 27 o 45.00000       1.447000      1081.605      21.3   
1 1 1 11 18 28 o 9.459000       1.022000      152.0720      5.3    
1 1 1 11 18 29 o 4.710000       1.002000      396.2386      -139.1 
1 1 1 11 18 30 o 12.45000       1.048000      416.1856      -100.4 
1 1 1 11 18 31 o 16.90000       1.077000      597.3992      56.7   
1 1 1 11 18 32 o 12.79000       1.031000      436.4257      -141.0 
1 1 1 11 18 33 o 18.65000       1.079000      602.0661      45.3   
1 1 1 11 18 34 o 16.61000       1.061000      527.6791      28.2   
1 1 1 11 18 35 o 1.404000       0.9487000     147.7774      21.4   
1 1 1 11 18 36 f 12.68000       1.031000      373.6192      176.3  
1 1 1 11 18 37 o 10.73000       1.016000      356.5478      64.2   
1 1 1 11 18 38 o 26.05000       1.337000      761.1701      -164.8 
1 1 1 11 18 39 o 0.8367000      1.190000      305.1776      134.7  
1 1 1 11 18 40 o 1.873000       1.813000      58.07653      54.9   
1 1 1 11 18 41 o 19.72000       2.563000      576.4883      -76.5  
1 1 1 11 18 42 o 2.047000       1.151000      195.1799      46.8   
1 1 1 11 18 43 o 15.39000       1.166000      468.2730      148.6  
1 1 1 11 18 44 o 2.516000       1.079000      244.8981      78.6   
1 1 1 11 18 45 o 16.31000       1.198000      520.1041      -5.7   
1 1 1 11 18 46 o 4.490000       1.128000      216.1886      -81.1  
1 1 1 11 18 47 o 3.113000       1.138000      293.4686      -88.9  
1 1 1 11 18 48 o 2.019000       1.158000      232.2930      -61.2  
1 1 1 11 18 49 f 9.596000       1.245000      599.1053      -79.0  
1 1 1 11 18 50 o 5.759000       1.250000      415.7866      -144.0 
1 1 1 11 18 51 o 8.121000       1.295000      392.6027      76.3   
1 1 1 11 18 52 o 6.686000       1.329000      238.8832      -8.9   
1 1 1 11 18 53 o 7.338000       1.351000      285.0213      111.0  
1 1 1 11 18 54 o 3.744000       1.336000      269.4012      -124.7 
1 1 1 11 18 55 o 2.532000       1.337000      96.89442      24.0   
1 1 1 11 18 56 o 3.246000       1.633000      232.2082      179.0  
1 1 1 11 18 57 o 0.1455000      1.689000      ?             ?      
1 1 1 11 18 58 o 3.370000       1.604000      ?             ?      
1 1 1 11 18 59 o 1.220000       1.427000      ?             ?      
1 1 1 11 18 60 o -0.8731000     1.282000      ?             ?      
1 1 1 11 18 61 o 2.832000       1.304000      ?             ?      
1 1 1 11 18 62 o -0.9556000     1.276000      ?             ?      
1 1 1 11 18 63 f -0.2460000     1.265000      ?             ?      
1 1 1 11 18 64 o 7.758000       1.352000      ?             ?      
1 1 1 11 18 65 o 0.5663000      1.303000      ?             ?      
1 1 1 11 18 66 o 0.9260000      1.316000      ?             ?      
1 1 1 11 18 67 o 2.414000       1.330000      ?             ?      
1 1 1 11 18 68 o 1.202000       1.335000      ?             ?      
1 1 1 11 18 69 o -1.767000      1.513000      ?             ?      
1 1 1 11 18 70 o 3.913000       2.588000      ?             ?      
1 1 1 11 18 71 o 4.355000       1.809000      ?             ?      
1 1 1 11 18 72 o 3.149000       1.771000      ?             ?      
1 1 1 11 19 0  o 0.2943000E-01  0.8560000     38.73018      -90.0  
1 1 1 11 19 1  o 6.044000       0.7162000     342.3489      -35.1  
1 1 1 11 19 2  o 16.58000       0.8690000     498.2419      -89.2  
1 1 1 11 19 3  o 0.1482000      0.6607000     122.5322      123.8  
1 1 1 11 19 4  o 9.430000       0.6805000     557.1923      3.0    
1 1 1 11 19 5  o 23.31000       0.9573000     686.6956      48.2   
1 1 1 11 19 6  o 19.18000       1.710000      494.0292      -97.7  
1 1 1 11 19 7  o 5.337000       0.6964000     399.0602      27.6   
1 1 1 11 19 8  o -0.1014000E-01 0.7008000     108.5002      -165.6 
1 1 1 11 19 9  o 51.89000       1.709000      1008.626      95.4   
1 1 1 11 19 10 o 8.757000       0.8315000     392.9005      115.7  
1 1 1 11 19 11 o 44.69000       1.579000      809.2418      9.2    
1 1 1 11 19 12 o 1.783000       0.8298000     315.0476      -104.6 
1 1 1 11 19 13 o 0.4649000      0.8197000     451.5080      150.8  
1 1 1 11 19 14 o 14.64000       0.8425000     450.2654      132.7  
1 1 1 11 19 15 f 29.67000       1.145000      695.7094      -84.7  
1 1 1 11 19 16 o 6.735000       0.7457000     148.8035      -132.7 
1 1 1 11 19 17 o 3.237000       0.7463000     298.0761      -80.1  
1 1 1 11 19 18 o 9.135000       0.9379000     400.8670      99.6   
1 1 1 11 19 19 o 3.175000       0.9541000     457.4069      -172.8 
1 1 1 11 19 20 o 30.58000       1.472000      868.0624      -18.6  
1 1 1 11 19 21 o 1.786000       1.193000      79.66485      -128.0 
1 1 1 11 19 22 o 3.695000       1.310000      344.1516      -172.4 
1 1 1 11 19 23 o 4.481000       1.100000      416.0609      89.9   
1 1 1 11 19 24 o 7.398000       1.050000      479.8424      137.9  
1 1 1 11 19 25 o 5.708000       0.9968000     502.6270      -128.0 
1 1 1 11 19 26 o 3.671000       0.9591000     263.3015      -175.5 
1 1 1 11 19 27 o 3.732000       0.9489000     309.7273      -166.8 
1 1 1 11 19 28 o 22.67000       1.136000      692.6102      64.3   
1 1 1 11 19 29 o 3.938000       0.9699000     325.4371      14.2   
1 1 1 11 19 30 o 3.839000       0.9655000     357.6494      -67.8  
1 1 1 11 19 31 o 7.770000       0.9829000     375.6100      50.7   
1 1 1 11 19 32 o 8.646000       0.9885000     372.5233      -54.2  
1 1 1 11 19 33 o 1.569000       0.9389000     156.4391      104.2  
1 1 1 11 19 34 o 8.606000       0.9860000     357.2855      -98.9  
1 1 1 11 19 35 o 3.161000       0.9440000     208.6655      -118.9 
1 1 1 11 19 36 o 3.218000       0.9453000     159.9142      1.0    
1 1 1 11 19 37 o 1.939000       0.9534000     203.3539      -134.2 
1 1 1 11 19 38 o 8.421000       1.139000      396.0870      125.6  
1 1 1 11 19 39 o 6.768000       1.288000      137.2782      -62.1  
1 1 1 11 19 40 o 17.00000       1.715000      475.1469      139.6  
1 1 1 11 19 41 o 5.246000       1.413000      312.7826      21.4   
1 1 1 11 19 42 o 13.22000       1.380000      430.4476      96.2   
1 1 1 11 19 43 o 8.628000       1.216000      514.5146      -114.0 
1 1 1 11 19 44 o 4.693000       1.102000      319.3538      -6.1   
1 1 1 11 19 45 o 2.096000       1.102000      203.3977      92.2   
1 1 1 11 19 46 o 2.167000       1.128000      131.5159      13.5   
1 1 1 11 19 47 o 2.062000       1.146000      226.6234      -91.5  
1 1 1 11 19 48 o 1.564000       1.172000      61.87367      -78.6  
1 1 1 11 19 49 o 1.845000       1.206000      206.8925      -156.8 
1 1 1 11 19 50 o 2.176000       1.242000      209.5500      -152.0 
1 1 1 11 19 51 o -0.2707000E-01 1.266000      220.5726      -168.5 
1 1 1 11 19 52 o 3.157000       1.321000      232.1656      64.9   
1 1 1 11 19 53 o 3.843000       1.324000      210.6790      78.2   
1 1 1 11 19 54 o 4.398000       1.340000      236.8607      -127.9 
1 1 1 11 19 55 o 6.070000       1.463000      172.0777      70.9   
1 1 1 11 19 56 o 2.524000       1.923000      165.5231      14.8   
1 1 1 11 19 57 o 0.5077000      1.784000      ?             ?      
1 1 1 11 19 58 o 4.979000       1.729000      ?             ?      
1 1 1 11 19 59 o 3.760000       1.551000      ?             ?      
1 1 1 11 19 60 o 0.2370000      1.298000      ?             ?      
1 1 1 11 19 61 o -0.7387000     1.277000      ?             ?      
1 1 1 11 19 62 o 0.6057000      1.266000      ?             ?      
1 1 1 11 19 63 o 2.318000       1.287000      ?             ?      
1 1 1 11 19 64 o 6.654000       1.337000      ?             ?      
1 1 1 11 19 65 o 3.973000       1.311000      ?             ?      
1 1 1 11 19 66 o 0.7416000      1.299000      ?             ?      
1 1 1 11 19 67 o 2.515000       1.320000      ?             ?      
1 1 1 11 19 68 o -0.2354000E-01 1.312000      ?             ?      
1 1 1 11 19 69 o 3.302000       1.530000      ?             ?      
1 1 1 11 19 70 o 2.310000       1.735000      ?             ?      
1 1 1 11 19 71 o 0.2561000      1.796000      ?             ?      
1 1 1 11 19 72 o -0.8566000     1.911000      ?             ?      
1 1 1 11 20 0  o 1.588000       1.490000      274.9172      -90.0  
1 1 1 11 20 1  o -0.5971000     0.6140000     60.62828      3.8    
1 1 1 11 20 2  o 6.516000       0.6736000     216.7787      99.6   
1 1 1 11 20 3  o 6.074000       0.7033000     427.3304      108.4  
1 1 1 11 20 4  o 7.201000       0.7770000     314.0968      95.3   
1 1 1 11 20 5  o -1.087000      0.9946000     229.9555      -69.4  
1 1 1 11 20 6  o 13.09000       1.070000      601.9998      -137.4 
1 1 1 11 20 7  o -0.6560000     0.7370000     325.8235      30.3   
1 1 1 11 20 8  o 21.15000       1.114000      478.1653      84.3   
1 1 1 11 20 9  o 2.329000       0.9871000     70.80551      -85.9  
1 1 1 11 20 10 o -0.8375000     0.8288000     101.0253      -128.0 
1 1 1 11 20 11 o -1.031000      0.8442000     205.2250      -125.5 
1 1 1 11 20 12 o 14.17000       1.006000      557.5622      -117.7 
1 1 1 11 20 13 o 0.5382000      0.8870000     290.6294      15.4   
1 1 1 11 20 14 o 11.68000       0.9870000     468.5777      -149.0 
1 1 1 11 20 15 o 9.256000       0.9255000     260.5381      -19.6  
1 1 1 11 20 16 o -0.7302000     0.7837000     277.2287      38.1   
1 1 1 11 20 17 o 2.257000       0.7822000     344.5862      76.7   
1 1 1 11 20 18 o 11.62000       1.003000      462.8849      68.7   
1 1 1 11 20 19 o 18.43000       1.115000      368.2308      22.5   
1 1 1 11 20 20 o 11.54000       1.391000      484.0406      -69.4  
1 1 1 11 20 21 o 13.32000       1.821000      190.7407      -57.5  
1 1 1 11 20 22 o 11.54000       1.505000      563.1246      31.7   
1 1 1 11 20 23 o 5.534000       1.050000      278.0313      -31.8  
1 1 1 11 20 24 o 1.618000       0.9629000     69.27614      -84.1  
1 1 1 11 20 25 o 9.577000       0.9787000     318.0368      -123.5 
1 1 1 11 20 26 o 12.08000       0.9952000     360.5796      22.7   
1 1 1 11 20 27 o 2.794000       0.9313000     150.6941      28.3   
1 1 1 11 20 28 o 1.191000       0.9388000     292.3166      47.9   
1 1 1 11 20 29 o 10.60000       0.9976000     420.8182      -22.9  
1 1 1 11 20 30 o 1.108000       0.9291000     112.7321      -115.1 
1 1 1 11 20 31 o 5.028000       0.9461000     76.24252      134.0  
1 1 1 11 20 32 o 0.6809000      0.9232000     191.7362      -164.8 
1 1 1 11 20 33 o 8.738000       0.9806000     128.0274      -11.0  
1 1 1 11 20 34 o 0.6453000      0.9294000     36.03706      -28.1  
1 1 1 11 20 35 o 3.147000       0.9415000     168.2999      -69.8  
1 1 1 11 20 36 o 2.115000       0.9397000     112.2932      74.8   
1 1 1 11 20 37 o 0.3614000      0.9449000     143.1205      31.9   
1 1 1 11 20 38 o 5.510000       1.012000      227.3792      -176.8 
1 1 1 11 20 39 o 10.41000       1.334000      364.1670      -164.2 
1 1 1 11 20 40 o 4.781000       1.509000      215.9131      24.7   
1 1 1 11 20 41 o 6.448000       1.546000      173.9851      -58.3  
1 1 1 11 20 42 o 1.976000       1.286000      216.1393      47.8   
1 1 1 11 20 43 o 4.534000       1.195000      238.5071      109.7  
1 1 1 11 20 44 o 8.813000       1.145000      213.6558      95.1   
1 1 1 11 20 45 o 1.484000       1.093000      113.2454      -48.9  
1 1 1 11 20 46 o 9.565000       1.185000      271.0358      -66.8  
1 1 1 11 20 47 o 0.9171000      1.153000      204.2149      -144.0 
1 1 1 11 20 48 o 10.58000       1.260000      341.4976      -42.8  
1 1 1 11 20 49 o 2.286000       1.215000      128.9915      53.6   
1 1 1 11 20 50 o 3.580000       1.265000      174.5870      -145.3 
1 1 1 11 20 51 o 1.837000       1.276000      111.7502      28.2   
1 1 1 11 20 52 o 3.660000       1.319000      279.4866      -79.8  
1 1 1 11 20 53 o 0.8402000      1.322000      134.9211      174.3  
1 1 1 11 20 54 o 3.288000       1.350000      130.9459      -147.2 
1 1 1 11 20 55 o -1.686000      1.427000      74.87950      131.1  
1 1 1 11 20 56 o 1.719000       1.439000      ?             ?      
1 1 1 11 20 57 o 0.6864000      1.421000      ?             ?      
1 1 1 11 20 58 o 0.9838000      1.444000      ?             ?      
1 1 1 11 20 59 o -0.5802000E-01 1.537000      ?             ?      
1 1 1 11 20 60 o 2.394000       1.426000      ?             ?      
1 1 1 11 20 61 o 0.2704000      1.271000      ?             ?      
1 1 1 11 20 62 o 1.422000       1.264000      ?             ?      
1 1 1 11 20 63 o -0.3849000     1.262000      ?             ?      
1 1 1 11 20 64 o -0.7773000     1.282000      ?             ?      
1 1 1 11 20 65 o 2.480000       1.289000      ?             ?      
1 1 1 11 20 66 o 0.6675000      1.297000      ?             ?      
1 1 1 11 20 67 o 1.636000       1.298000      ?             ?      
1 1 1 11 20 68 o 3.066000       1.512000      ?             ?      
1 1 1 11 20 69 o -0.1565000     2.056000      ?             ?      
1 1 1 11 20 70 o -0.7216000     1.765000      ?             ?      
1 1 1 11 20 71 o 3.064000       1.529000      ?             ?      
1 1 1 11 20 72 o 1.044000       1.628000      ?             ?      
1 1 1 11 21 0  o -1.016000      0.9084000     19.49536      -90.0  
1 1 1 11 21 1  o 3.810000       0.6331000     151.5360      76.0   
1 1 1 11 21 2  o 2.430000       0.5655000     194.7867      -176.3 
1 1 1 11 21 3  o 1.693000       0.5997000     80.71043      7.5    
1 1 1 11 21 4  o 3.901000       0.7584000     350.4815      70.2   
1 1 1 11 21 5  o -0.1755000     0.7118000     169.3611      -80.0  
1 1 1 11 21 6  o 1.476000       0.7530000     127.2413      58.2   
1 1 1 11 21 7  o -0.3215000     1.004000      122.0722      -26.6  
1 1 1 11 21 8  o -2.236000      1.158000      202.7723      105.7  
1 1 1 11 21 9  o 20.01000       1.475000      199.6902      86.4   
1 1 1 11 21 10 o -0.6165000     0.8274000     170.5499      15.7   
1 1 1 11 21 11 o 2.576000       0.8681000     82.81389      36.2   
1 1 1 11 21 12 o -0.3825000     0.9350000     195.3818      153.8  
1 1 1 11 21 13 o -0.1307000E-01 1.140000      217.8798      -72.9  
1 1 1 11 21 14 o 1.166000       0.9650000     249.5759      146.7  
1 1 1 11 21 15 o 4.854000       0.8626000     134.6504      83.3   
1 1 1 11 21 16 o 4.092000       0.8900000     158.0154      -16.0  
1 1 1 11 21 17 o 2.697000       0.8281000     146.6131      -68.0  
1 1 1 11 21 18 o 1.113000       0.8500000     62.62671      112.0  
1 1 1 11 21 19 o 5.261000       1.032000      223.7452      -113.2 
1 1 1 11 21 20 o 2.339000       1.078000      258.7236      167.1  
1 1 1 11 21 21 o 3.463000       1.785000      145.5175      -175.9 
1 1 1 11 21 22 o 2.439000       1.404000      145.9305      93.9   
1 1 1 11 21 23 o 1.824000       1.210000      165.3251      -4.1   
1 1 1 11 21 24 o 10.77000       1.026000      331.8355      -147.1 
1 1 1 11 21 25 o 6.500000       0.9520000     169.9336      36.3   
1 1 1 11 21 26 o 4.234000       0.9320000     313.1251      90.8   
1 1 1 11 21 27 o -1.165000      0.9036000     120.8270      -97.3  
1 1 1 11 21 28 o 1.280000       0.9227000     231.4515      8.1    
1 1 1 11 21 29 o 0.3592000E-02  0.9162000     154.2645      149.8  
1 1 1 11 21 30 o 0.8809000      0.9034000     173.3951      21.1   
1 1 1 11 21 31 o 0.9655000      0.9139000     290.4391      -63.2  
1 1 1 11 21 32 o 4.502000       0.9425000     136.3828      -11.4  
1 1 1 11 21 33 o 0.8559000      0.9248000     200.2035      -88.9  
1 1 1 11 21 34 o 4.123000       0.9570000     123.5690      -172.1 
1 1 1 11 21 35 o 9.019000       1.106000      320.8021      91.4   
1 1 1 11 21 36 f 0.6720000      0.9420000     141.7985      170.7  
1 1 1 11 21 37 o 1.167000       0.9519000     48.60975      -93.6  
1 1 1 11 21 38 o 3.756000       1.066000      184.9546      169.1  
1 1 1 11 21 39 o -0.3863000     1.478000      66.57541      179.5  
1 1 1 11 21 40 o 8.562000       1.523000      368.0059      81.3   
1 1 1 11 21 41 o 4.509000       1.177000      194.4564      80.1   
1 1 1 11 21 42 o 1.692000       1.190000      196.7658      -105.5 
1 1 1 11 21 43 o 5.386000       1.484000      269.8507      -114.5 
1 1 1 11 21 44 o 3.466000       1.233000      290.1050      113.3  
1 1 1 11 21 45 o 5.397000       1.126000      148.9711      166.0  
1 1 1 11 21 46 o -1.271000      1.113000      124.9135      -4.6   
1 1 1 11 21 47 o 2.976000       1.162000      165.4384      -10.9  
1 1 1 11 21 48 o 1.397000       1.179000      181.4953      119.5  
1 1 1 11 21 49 f 6.390000       1.244000      163.6664      -15.8  
1 1 1 11 21 50 o 5.140000       1.288000      184.8086      -107.8 
1 1 1 11 21 51 o 3.166000       1.298000      171.1729      170.4  
1 1 1 11 21 52 o 1.518000       1.312000      33.65275      -18.2  
1 1 1 11 21 53 o 1.089000       1.312000      120.1652      44.1   
1 1 1 11 21 54 o 7.400000       1.479000      144.4794      -83.4  
1 1 1 11 21 55 o 3.142000       1.571000      230.7392      -64.2  
1 1 1 11 21 56 o 1.334000       1.451000      ?             ?      
1 1 1 11 21 57 o -0.1322000     1.421000      ?             ?      
1 1 1 11 21 58 o -0.2845000     1.527000      ?             ?      
1 1 1 11 21 59 o 1.031000       1.694000      ?             ?      
1 1 1 11 21 60 o 0.4488000      1.507000      ?             ?      
1 1 1 11 21 61 o 5.447000       1.431000      ?             ?      
1 1 1 11 21 62 o -0.8938000E-01 1.258000      ?             ?      
1 1 1 11 21 63 o -0.4011000E-01 1.260000      ?             ?      
1 1 1 11 21 64 o -0.9333000     1.269000      ?             ?      
1 1 1 11 21 65 o 0.3828000      1.277000      ?             ?      
1 1 1 11 21 66 o 1.339000       1.289000      ?             ?      
1 1 1 11 21 67 o 1.032000       1.455000      ?             ?      
1 1 1 11 21 68 o 2.802000       1.735000      ?             ?      
1 1 1 11 21 69 o 3.033000       1.777000      ?             ?      
1 1 1 11 21 70 o -1.115000      1.488000      ?             ?      
1 1 1 11 21 71 o -1.571000      1.484000      ?             ?      
1 1 1 11 22 0  o 0.3639000      0.8710000     13.00360      90.0   
1 1 1 11 22 1  o 3.576000       0.8366000     401.4049      -86.0  
1 1 1 11 22 2  o -0.8154000     0.5945000     237.8970      43.2   
1 1 1 11 22 3  o -0.9551000     0.6085000     145.3471      -125.8 
1 1 1 11 22 4  o -0.8156000     0.7300000     179.8805      46.6   
1 1 1 11 22 5  o 2.714000       0.8849000     215.0405      -121.9 
1 1 1 11 22 6  o -0.9956000     0.8632000     348.7352      -122.2 
1 1 1 11 22 7  o -2.127000      1.016000      193.7180      -175.4 
1 1 1 11 22 8  o -0.5800000     0.8998000     203.6504      106.5  
1 1 1 11 22 9  o 2.801000       1.157000      257.9531      -93.6  
1 1 1 11 22 10 o -2.595000      1.214000      63.09132      104.3  
1 1 1 11 22 11 o 1.566000       0.8446000     42.22569      -93.2  
1 1 1 11 22 12 o 1.601000       1.202000      176.8090      52.9   
1 1 1 11 22 13 o -1.303000      0.9820000     86.39533      -130.6 
1 1 1 11 22 14 o -0.1523000     1.045000      211.6115      125.6  
1 1 1 11 22 15 o 4.636000       1.079000      508.8131      -16.0  
1 1 1 11 22 16 o -1.278000      0.9076000     50.41258      55.7   
1 1 1 11 22 17 o 1.200000       0.8968000     146.6203      163.4  
1 1 1 11 22 18 o 0.1849000      0.9079000     176.5793      -66.5  
1 1 1 11 22 19 o -0.6308000     0.9287000     110.5344      -27.9  
1 1 1 11 22 20 o 4.040000       1.381000      353.9826      -49.7  
1 1 1 11 22 21 o 0.2104000      1.408000      139.4817      -31.0  
1 1 1 11 22 22 o 4.924000       1.454000      228.6499      101.8  
1 1 1 11 22 23 o 7.356000       1.208000      260.7414      72.3   
1 1 1 11 22 24 o -0.3259000     1.093000      202.5668      115.5  
1 1 1 11 22 25 o 2.866000       0.9004000     180.8053      26.5   
1 1 1 11 22 26 o 4.561000       0.9824000     246.3306      133.7  
1 1 1 11 22 27 o 2.896000       0.8992000     160.5086      171.0  
1 1 1 11 22 28 o 1.016000       0.9004000     46.90701      -56.2  
1 1 1 11 22 29 o 3.817000       0.9109000     121.1881      -3.9   
1 1 1 11 22 30 o 0.2343000      0.8962000     81.18850      -85.6  
1 1 1 11 22 31 o 5.698000       0.9268000     223.3024      -142.5 
1 1 1 11 22 32 o -0.4482000     0.9056000     183.7090      155.1  
1 1 1 11 22 33 o 1.501000       0.9292000     172.1775      -110.4 
1 1 1 11 22 34 o 11.99000       1.067000      307.8788      -48.9  
1 1 1 11 22 35 o 1.432000       0.9405000     181.7842      -1.4   
1 1 1 11 22 36 o 0.9818000      0.9389000     71.43122      -177.6 
1 1 1 11 22 37 o 4.644000       0.9813000     246.6005      -157.2 
1 1 1 11 22 38 o -1.315000      1.047000      169.8358      -15.7  
1 1 1 11 22 39 o 8.950000       1.243000      301.5760      -112.7 
1 1 1 11 22 40 o 9.809000       1.364000      347.9755      168.8  
1 1 1 11 22 41 o 3.421000       1.268000      110.8503      122.0  
1 1 1 11 22 42 o 4.400000       1.206000      152.3830      164.1  
1 1 1 11 22 43 o 1.843000       1.229000      95.76444      2.3    
1 1 1 11 22 44 o 3.983000       1.240000      216.9033      -116.6 
1 1 1 11 22 45 o -0.8033000     1.102000      63.10083      25.6   
1 1 1 11 22 46 o 0.9389000      1.127000      64.56960      -49.8  
1 1 1 11 22 47 o 4.021000       1.156000      173.8341      174.0  
1 1 1 11 22 48 o 2.232000       1.178000      141.2682      77.6   
1 1 1 11 22 49 o 4.317000       1.235000      131.4062      -101.2 
1 1 1 11 22 50 o 3.631000       1.264000      182.6398      6.1    
1 1 1 11 22 51 o 3.639000       1.298000      207.3265      81.1   
1 1 1 11 22 52 o 0.6060000      1.310000      92.26353      152.0  
1 1 1 11 22 53 o 1.140000       1.306000      188.3072      38.9   
1 1 1 11 22 54 o 1.036000       1.432000      102.4585      93.5   
1 1 1 11 22 55 o 0.6977000      1.456000      ?             ?      
1 1 1 11 22 56 o 0.7144000      1.309000      ?             ?      
1 1 1 11 22 57 o 0.2077000      1.305000      ?             ?      
1 1 1 11 22 58 o 3.368000       1.428000      ?             ?      
1 1 1 11 22 59 o -2.334000      1.395000      ?             ?      
1 1 1 11 22 60 o 0.1815000      1.412000      ?             ?      
1 1 1 11 22 61 o 3.107000       1.399000      ?             ?      
1 1 1 11 22 62 o 1.060000       1.257000      ?             ?      
1 1 1 11 22 63 o 1.176000       1.270000      ?             ?      
1 1 1 11 22 64 o 0.3878000      1.265000      ?             ?      
1 1 1 11 22 65 o 1.065000       1.410000      ?             ?      
1 1 1 11 22 66 o 0.3529000      1.443000      ?             ?      
1 1 1 11 22 67 o 0.2487000      1.677000      ?             ?      
1 1 1 11 22 68 o 0.9749000      1.800000      ?             ?      
1 1 1 11 22 69 o 2.152000       1.731000      ?             ?      
1 1 1 11 22 70 o 3.519000       1.510000      ?             ?      
1 1 1 11 22 71 o 2.753000       1.397000      ?             ?      
1 1 1 11 23 0  o 4.542000       0.9603000     260.4745      90.0   
1 1 1 11 23 1  o 0.2305000      0.6696000     211.5961      80.0   
1 1 1 11 23 2  o -0.9390000E-01 0.6419000     393.0638      56.0   
1 1 1 11 23 3  o -0.1154000     0.6609000     276.1004      156.1  
1 1 1 11 23 4  o 4.044000       0.6794000     619.2932      -12.5  
1 1 1 11 23 5  o -0.3773000     0.8686000     160.7226      83.9   
1 1 1 11 23 6  o 0.1165000      0.8716000     90.06086      138.1  
1 1 1 11 23 7  o 3.167000       0.9605000     242.0426      9.1    
1 1 1 11 23 8  o 1.452000       0.9362000     19.74358      137.9  
1 1 1 11 23 9  o 0.5345000      1.007000      185.2155      30.3   
1 1 1 11 23 10 o 0.6473000      1.056000      324.5198      105.8  
1 1 1 11 23 11 o 8.965000       1.174000      375.6505      -26.9  
1 1 1 11 23 12 o 11.52000       1.297000      662.1730      -52.2  
1 1 1 11 23 13 o 5.065000       1.326000      355.4634      -130.5 
1 1 1 11 23 14 o -3.537000      1.354000      76.07857      56.5   
1 1 1 11 23 15 o 11.90000       1.277000      431.1791      -54.6  
1 1 1 11 23 16 o 11.76000       1.195000      434.5316      -33.6  
1 1 1 11 23 17 o 0.6685000      1.025000      188.3364      174.8  
1 1 1 11 23 18 o -1.600000      0.9519000     80.48604      155.6  
1 1 1 11 23 19 o 5.873000       1.017000      460.0426      -5.2   
1 1 1 11 23 20 o 0.2400000      1.067000      229.2740      -49.2  
1 1 1 11 23 21 o 6.047000       1.248000      425.5113      -165.3 
1 1 1 11 23 22 o 0.6968000      1.088000      175.7588      -93.2  
1 1 1 11 23 23 o -2.349000      1.201000      153.4780      -29.4  
1 1 1 11 23 24 o 3.525000       1.089000      144.3699      86.7   
1 1 1 11 23 25 o 1.983000       0.8816000     319.5266      -117.5 
1 1 1 11 23 26 o 10.38000       0.9274000     455.3140      -28.3  
1 1 1 11 23 27 o 2.789000       0.8747000     233.9961      -164.5 
1 1 1 11 23 28 o 1.981000       0.8766000     211.3524      169.5  
1 1 1 11 23 29 o -0.5922000     0.8792000     182.8357      -128.1 
1 1 1 11 23 30 o 15.51000       1.082000      586.5683      -44.6  
1 1 1 11 23 31 o 2.121000       0.8969000     45.09033      -148.3 
1 1 1 11 23 32 o 0.5247000      0.8994000     178.3949      91.1   
1 1 1 11 23 33 o 15.71000       1.030000      345.0661      110.1  
1 1 1 11 23 34 o 2.116000       0.9329000     146.8769      111.8  
1 1 1 11 23 35 o 8.391000       0.9887000     371.7747      -135.8 
1 1 1 11 23 36 o 1.558000       0.9539000     107.0722      -89.9  
1 1 1 11 23 37 o 7.688000       1.068000      332.1499      63.6   
1 1 1 11 23 38 o 4.898000       1.161000      228.5449      -119.1 
1 1 1 11 23 39 o 5.616000       1.159000      290.6574      -146.4 
1 1 1 11 23 40 o 14.07000       1.290000      525.3585      -139.9 
1 1 1 11 23 41 o 5.289000       1.283000      305.3490      140.8  
1 1 1 11 23 42 o -0.7685000     1.161000      80.15041      -32.0  
1 1 1 11 23 43 o 3.116000       1.241000      154.6345      130.2  
1 1 1 11 23 44 o 2.399000       1.352000      84.68385      -58.5  
1 1 1 11 23 45 o 6.174000       1.264000      185.6510      -31.7  
1 1 1 11 23 46 o -0.2159000E-01 1.116000      95.06464      -174.0 
1 1 1 11 23 47 o 1.874000       1.132000      139.7702      19.5   
1 1 1 11 23 48 o 5.827000       1.192000      304.1407      32.4   
1 1 1 11 23 49 o 0.9308000      1.220000      171.3100      -157.7 
1 1 1 11 23 50 o 2.348000       1.264000      267.4232      -118.0 
1 1 1 11 23 51 o -0.5607000     1.260000      161.9706      -170.4 
1 1 1 11 23 52 o 1.695000       1.266000      216.6541      29.7   
1 1 1 11 23 53 o 5.329000       1.444000      228.2977      -145.9 
1 1 1 11 23 54 o 12.41000       1.754000      400.5127      -134.3 
1 1 1 11 23 55 o 2.373000       1.381000      ?             ?      
1 1 1 11 23 56 o 3.424000       1.309000      ?             ?      
1 1 1 11 23 57 o 2.906000       1.296000      ?             ?      
1 1 1 11 23 58 o 0.3608000      1.394000      ?             ?      
1 1 1 11 23 59 o 1.449000       1.487000      ?             ?      
1 1 1 11 23 60 o 3.150000       1.637000      ?             ?      
1 1 1 11 23 61 o 1.047000       1.503000      ?             ?      
1 1 1 11 23 62 o 0.4127000E-01  1.391000      ?             ?      
1 1 1 11 23 63 o 0.8967000      1.284000      ?             ?      
1 1 1 11 23 64 o 3.202000       1.425000      ?             ?      
1 1 1 11 23 65 o -0.1548000     1.419000      ?             ?      
1 1 1 11 23 66 o -0.7339000     1.429000      ?             ?      
1 1 1 11 23 67 o 2.923000       1.685000      ?             ?      
1 1 1 11 23 68 o -0.3322000     1.717000      ?             ?      
1 1 1 11 23 69 o -0.5645000E-01 1.351000      ?             ?      
1 1 1 11 23 70 o 2.259000       1.373000      ?             ?      
1 1 1 11 23 71 o 0.4848000      1.532000      ?             ?      
1 1 1 11 24 0  o -2.355000      0.9977000     20.88760      90.0   
1 1 1 11 24 1  o 1.327000       0.7452000     74.34282      -149.0 
1 1 1 11 24 2  o 15.19000       0.9019000     595.1976      161.0  
1 1 1 11 24 3  o 18.88000       0.9051000     796.1843      77.4   
1 1 1 11 24 4  o 29.00000       0.9847000     557.7360      -72.9  
1 1 1 11 24 5  o 47.26000       1.278000      1076.819      -76.4  
1 1 1 11 24 6  o 13.67000       0.9926000     778.3112      141.0  
1 1 1 11 24 7  o 29.96000       1.313000      659.5101      113.9  
1 1 1 11 24 8  o 7.698000       0.9855000     496.3588      -171.5 
1 1 1 11 24 9  o 45.38000       1.796000      811.6119      -119.0 
1 1 1 11 24 10 o -0.6795000     1.064000      270.5237      162.6  
1 1 1 11 24 11 o 1.743000       1.039000      413.3968      -0.1   
1 1 1 11 24 12 o 58.82000       2.428000      1278.566      17.1   
1 1 1 11 24 13 o 32.63000       1.731000      906.5773      5.3    
1 1 1 11 24 14 o 4.907000       1.166000      236.7845      26.6   
1 1 1 11 24 15 o 4.572000       1.412000      139.3369      60.7   
1 1 1 11 24 16 o 11.49000       2.140000      706.7784      -55.6  
1 1 1 11 24 17 o 1.831000       1.484000      342.9492      -43.2  
1 1 1 11 24 18 o 18.60000       1.297000      603.3454      -85.3  
1 1 1 11 24 19 o 4.663000       1.249000      336.0090      94.3   
1 1 1 11 24 20 o 15.04000       1.170000      472.0153      -109.2 
1 1 1 11 24 21 o -2.277000      1.088000      203.1989      -24.7  
1 1 1 11 24 22 o 13.49000       1.143000      429.0387      -168.7 
1 1 1 11 24 23 o 30.84000       1.924000      818.6799      38.3   
1 1 1 11 24 24 o 1.750000       1.079000      338.5360      -20.0  
1 1 1 11 24 25 o 4.066000       1.059000      248.3235      131.4  
1 1 1 11 24 26 o 12.86000       1.033000      313.3644      -142.3 
1 1 1 11 24 27 o -0.6121000E-01 0.8282000     208.8394      -117.2 
1 1 1 11 24 28 o 8.173000       0.8945000     376.5173      -42.9  
1 1 1 11 24 29 o 8.123000       0.9081000     318.4908      57.2   
1 1 1 11 24 30 o -0.6516000     0.8777000     59.24011      -114.7 
1 1 1 11 24 31 o 2.048000       0.8897000     195.3055      -4.5   
1 1 1 11 24 32 o 1.003000       0.9023000     98.57092      154.2  
1 1 1 11 24 33 o 17.30000       1.040000      644.6516      -20.1  
1 1 1 11 24 34 o 1.749000       0.9182000     260.8645      -19.8  
1 1 1 11 24 35 o 2.646000       0.9405000     101.4393      149.8  
1 1 1 11 24 36 o 1.389000       0.9579000     275.9121      -55.8  
1 1 1 11 24 37 o 2.924000       1.063000      314.7983      -44.1  
1 1 1 11 24 38 o 11.30000       1.232000      473.9301      -86.4  
1 1 1 11 24 39 o 29.63000       1.378000      702.8851      -83.6  
1 1 1 11 24 40 o -0.7766000     1.027000      17.91184      137.2  
1 1 1 11 24 41 o 7.396000       1.191000      372.8834      -0.6   
1 1 1 11 24 42 o 8.070000       1.328000      373.5191      117.1  
1 1 1 11 24 43 o 0.6372000      1.210000      156.0696      47.4   
1 1 1 11 24 44 o 10.37000       1.307000      404.0487      -144.8 
1 1 1 11 24 45 o 2.091000       1.230000      211.4876      148.1  
1 1 1 11 24 46 o 2.819000       1.127000      81.22789      7.8    
1 1 1 11 24 47 o 1.648000       1.137000      61.67189      130.4  
1 1 1 11 24 48 o 1.687000       1.183000      150.1665      34.1   
1 1 1 11 24 49 o 5.032000       1.247000      182.1705      37.2   
1 1 1 11 24 50 o 4.926000       1.282000      232.7033      175.8  
1 1 1 11 24 51 o 0.6762000      1.266000      88.93637      96.0   
1 1 1 11 24 52 o -1.047000      1.267000      162.2206      -40.3  
1 1 1 11 24 53 o 1.162000       1.408000      167.0858      -62.6  
1 1 1 11 24 54 o -0.1629000     1.429000      ?             ?      
1 1 1 11 24 55 o 5.418000       1.320000      ?             ?      
1 1 1 11 24 56 o 3.797000       1.295000      ?             ?      
1 1 1 11 24 57 o 6.090000       1.317000      ?             ?      
1 1 1 11 24 58 o 1.125000       1.277000      ?             ?      
1 1 1 11 24 59 o 0.3150000      1.397000      ?             ?      
1 1 1 11 24 60 o 0.9656000      1.347000      ?             ?      
1 1 1 11 24 61 o 3.806000       1.510000      ?             ?      
1 1 1 11 24 62 o -1.194000      1.388000      ?             ?      
1 1 1 11 24 63 o -1.854000      1.389000      ?             ?      
1 1 1 11 24 64 o 0.5287000      1.405000      ?             ?      
1 1 1 11 24 65 o 2.046000       1.413000      ?             ?      
1 1 1 11 24 66 o -0.1905000E-01 1.647000      ?             ?      
1 1 1 11 24 67 o 2.332000       1.531000      ?             ?      
1 1 1 11 24 68 o -0.8629000     1.497000      ?             ?      
1 1 1 11 24 69 o -0.6329000     1.349000      ?             ?      
1 1 1 11 24 70 o 0.1806000      1.373000      ?             ?      
1 1 1 11 25 0  o 10.68000       1.215000      493.1009      90.0   
1 1 1 11 25 1  o 1.478000       0.7984000     283.0284      -167.8 
1 1 1 11 25 2  o 13.35000       0.8998000     770.7045      41.4   
1 1 1 11 25 3  o 0.8776000      0.7748000     189.8738      -140.8 
1 1 1 11 25 4  o 30.82000       1.044000      831.7331      65.6   
1 1 1 11 25 5  o 3.883000       0.7763000     49.95388      -65.1  
1 1 1 11 25 6  o 27.36000       1.347000      746.3580      -117.2 
1 1 1 11 25 7  o 33.04000       1.500000      852.8302      60.9   
1 1 1 11 25 8  o 3.127000       1.033000      260.7615      -67.0  
1 1 1 11 25 9  o 55.36000       1.971000      867.0031      41.9   
1 1 1 11 25 10 o 11.61000       1.139000      627.4219      74.5   
1 1 1 11 25 11 o 6.310000       1.114000      467.3652      4.3    
1 1 1 11 25 12 o 1.279000       1.350000      512.3993      177.0  
1 1 1 11 25 13 o 50.65000       1.737000      1127.990      100.0  
1 1 1 11 25 14 o 9.601000       1.207000      571.5347      -79.0  
1 1 1 11 25 15 o 37.07000       1.606000      882.0623      -44.6  
1 1 1 11 25 16 o 24.12000       1.341000      726.7978      -66.6  
1 1 1 11 25 17 o 3.427000       1.179000      151.3316      -46.2  
1 1 1 11 25 18 o 16.59000       1.502000      754.2665      -70.8  
1 1 1 11 25 19 o 90.48000       4.460000      1441.156      26.5   
1 1 1 11 25 20 o 9.824000       1.068000      524.2816      -96.0  
1 1 1 11 25 21 o 17.53000       1.159000      374.9756      65.5   
1 1 1 11 25 22 o 16.75000       1.088000      834.6771      47.2   
1 1 1 11 25 23 o 35.35000       1.521000      662.1519      69.3   
1 1 1 11 25 24 o 27.84000       1.729000      781.9233      -153.8 
1 1 1 11 25 25 o 7.099000       1.066000      365.4988      -42.8  
1 1 1 11 25 26 o 17.34000       1.141000      506.9560      12.0   
1 1 1 11 25 27 o 12.48000       0.9204000     410.6196      28.5   
1 1 1 11 25 28 o 5.398000       1.003000      255.8555      -155.8 
1 1 1 11 25 29 o 4.031000       0.8877000     116.7251      157.9  
1 1 1 11 25 30 o 1.593000       0.8758000     195.6022      -34.9  
1 1 1 11 25 31 o 7.636000       0.9122000     347.6239      112.6  
1 1 1 11 25 32 o 1.724000       0.8926000     90.58126      -39.6  
1 1 1 11 25 33 o 9.800000       0.9554000     359.4987      -42.9  
1 1 1 11 25 34 o 6.447000       0.9283000     206.2770      47.6   
1 1 1 11 25 35 o 0.5608000      0.9090000     63.84941      -136.0 
1 1 1 11 25 36 o 34.29000       1.415000      917.1158      111.4  
1 1 1 11 25 37 o 5.009000       1.122000      438.4964      90.1   
1 1 1 11 25 38 o 7.020000       1.106000      310.4846      -95.5  
1 1 1 11 25 39 o 4.744000       1.030000      276.1758      163.0  
1 1 1 11 25 40 o 2.700000       1.027000      253.8067      -169.1 
1 1 1 11 25 41 o -0.9381000     1.137000      119.3250      -74.8  
1 1 1 11 25 42 o -0.1038000     1.256000      256.9554      -92.6  
1 1 1 11 25 43 o 3.545000       1.193000      279.7041      -144.9 
1 1 1 11 25 44 o 4.625000       1.269000      291.4320      -16.3  
1 1 1 11 25 45 o 6.271000       1.397000      295.6067      86.5   
1 1 1 11 25 46 o 2.456000       1.254000      300.7817      158.8  
1 1 1 11 25 47 o 3.618000       1.173000      150.4422      -42.9  
1 1 1 11 25 48 o 6.654000       1.231000      314.9262      -101.5 
1 1 1 11 25 49 o 6.506000       1.263000      369.4935      -114.4 
1 1 1 11 25 50 o 5.904000       1.368000      324.3107      -20.0  
1 1 1 11 25 51 o -0.9988000     1.255000      48.53573      -108.1 
1 1 1 11 25 52 o 0.1342000      1.372000      198.9980      126.6  
1 1 1 11 25 53 o 0.6018000      1.499000      192.0191      -78.4  
1 1 1 11 25 54 o 3.143000       1.356000      ?             ?      
1 1 1 11 25 55 o 1.269000       1.266000      ?             ?      
1 1 1 11 25 56 o -0.1344000     1.262000      ?             ?      
1 1 1 11 25 57 o 7.243000       1.297000      ?             ?      
1 1 1 11 25 58 o -0.8506000E-01 1.231000      ?             ?      
1 1 1 11 25 59 o 6.454000       1.430000      ?             ?      
1 1 1 11 25 60 o 1.117000       1.771000      ?             ?      
1 1 1 11 25 61 o 6.596000       1.672000      ?             ?      
1 1 1 11 25 62 o 1.600000       1.501000      ?             ?      
1 1 1 11 25 63 o 3.869000       1.501000      ?             ?      
1 1 1 11 25 64 o 1.586000       1.395000      ?             ?      
1 1 1 11 25 65 o 3.184000       1.439000      ?             ?      
1 1 1 11 25 66 o 0.6702000      1.467000      ?             ?      
1 1 1 11 25 67 o 1.637000       1.511000      ?             ?      
1 1 1 11 25 68 o 2.337000       1.454000      ?             ?      
1 1 1 11 25 69 o 0.7817000E-01  1.345000      ?             ?      
1 1 1 11 25 70 o 0.2318000      1.376000      ?             ?      
1 1 1 11 26 0  o 1.794000       1.100000      62.75300      90.0   
1 1 1 11 26 1  o 6.720000       0.8318000     169.1255      127.4  
1 1 1 11 26 2  o 35.00000       1.260000      680.9984      -149.8 
1 1 1 11 26 3  o 13.91000       0.9233000     447.9302      86.0   
1 1 1 11 26 4  o 27.94000       1.227000      590.8345      -179.2 
1 1 1 11 26 5  o 7.907000       0.8322000     112.6162      84.3   
1 1 1 11 26 6  o 6.057000       0.8593000     98.39806      -50.0  
1 1 1 11 26 7  o 7.573000       1.062000      418.8906      175.2  
1 1 1 11 26 8  o 16.03000       1.239000      373.3532      -145.2 
1 1 1 11 26 9  o 9.587000       1.115000      375.8030      175.1  
1 1 1 11 26 10 o 4.305000       1.128000      285.3938      136.9  
1 1 1 11 26 11 o 18.32000       1.231000      680.0823      -150.4 
1 1 1 11 26 12 o 26.26000       1.248000      1015.249      -8.4   
1 1 1 11 26 13 o 19.34000       1.248000      778.6722      63.7   
1 1 1 11 26 14 o 36.37000       1.473000      823.5430      73.7   
1 1 1 11 26 15 o 2.604000       1.124000      160.5524      -28.8  
1 1 1 11 26 16 o 29.86000       1.434000      948.6034      -22.5  
1 1 1 11 26 17 o 0.4906000      1.323000      180.8362      164.5  
1 1 1 11 26 18 o 98.59000       4.270000      1355.541      174.6  
1 1 1 11 26 19 o -1.153000      1.412000      294.9183      3.9    
1 1 1 11 26 20 o 16.01000       1.104000      733.9052      -145.1 
1 1 1 11 26 21 o 0.2287000E-01  0.9233000     197.9601      35.1   
1 1 1 11 26 22 o 1.770000       1.002000      364.7425      -55.9  
1 1 1 11 26 23 o 27.63000       1.683000      924.6901      -22.7  
1 1 1 11 26 24 o 33.21000       1.293000      746.7969      117.3  
1 1 1 11 26 25 o 2.123000       1.163000      186.9995      -150.8 
1 1 1 11 26 26 o 5.938000       1.051000      323.7555      153.8  
1 1 1 11 26 27 o 1.267000       0.8812000     222.3099      -135.3 
1 1 1 11 26 28 o 9.098000       0.9206000     516.6086      25.5   
1 1 1 11 26 29 o 8.804000       0.9142000     449.5534      72.3   
1 1 1 11 26 30 o 25.55000       1.113000      667.9341      11.4   
1 1 1 11 26 31 o 18.36000       1.020000      682.8365      -3.0   
1 1 1 11 26 32 o 15.51000       0.9900000     631.5181      75.5   
1 1 1 11 26 33 o 4.490000       0.8981000     442.7970      45.2   
1 1 1 11 26 34 o 0.4887000E-01  0.8904000     123.9755      30.6   
1 1 1 11 26 35 o 8.802000       1.072000      300.0908      -105.1 
1 1 1 11 26 36 o 3.398000       1.031000      211.3494      84.1   
1 1 1 11 26 37 o 9.082000       1.159000      495.2537      179.2  
1 1 1 11 26 38 o 5.120000       1.057000      282.6594      134.0  
1 1 1 11 26 39 o 81.20000       2.114000      1342.192      -40.0  
1 1 1 11 26 40 o 21.19000       1.206000      637.6287      -13.6  
1 1 1 11 26 41 o 26.26000       1.291000      628.6903      37.4   
1 1 1 11 26 42 o 2.280000       1.182000      271.9961      45.8   
1 1 1 11 26 43 o -1.102000      1.293000      116.1377      68.5   
1 1 1 11 26 44 o 19.11000       1.394000      624.7585      -156.5 
1 1 1 11 26 45 o 0.1154000      1.280000      79.54612      146.3  
1 1 1 11 26 46 o -1.124000      1.408000      187.2744      27.7   
1 1 1 11 26 47 o 7.743000       1.363000      405.3930      -53.2  
1 1 1 11 26 48 o 9.729000       1.285000      426.1729      -1.1   
1 1 1 11 26 49 o 2.755000       1.248000      362.2512      114.1  
1 1 1 11 26 50 o 4.470000       1.261000      340.4161      -154.4 
1 1 1 11 26 51 o 4.814000       1.340000      353.4120      -20.4  
1 1 1 11 26 52 o 0.8781000      1.383000      242.0038      -22.7  
1 1 1 11 26 53 o 11.96000       1.485000      ?             ?      
1 1 1 11 26 54 o 0.8404000      1.257000      ?             ?      
1 1 1 11 26 55 o 5.670000       1.279000      ?             ?      
1 1 1 11 26 56 o 7.721000       1.297000      ?             ?      
1 1 1 11 26 57 o 2.183000       1.253000      ?             ?      
1 1 1 11 26 58 o 2.659000       1.351000      ?             ?      
1 1 1 11 26 59 o -2.615000      1.664000      ?             ?      
1 1 1 11 26 60 o 5.212000       1.789000      ?             ?      
1 1 1 11 26 61 o -1.284000      1.350000      ?             ?      
1 1 1 11 26 62 o 3.487000       1.532000      ?             ?      
1 1 1 11 26 63 o 2.011000       1.699000      ?             ?      
1 1 1 11 26 64 o 0.4922000      1.254000      ?             ?      
1 1 1 11 26 65 o 10.02000       1.507000      ?             ?      
1 1 1 11 26 66 o -0.6869000     1.440000      ?             ?      
1 1 1 11 26 67 o 4.128000       1.526000      ?             ?      
1 1 1 11 26 68 o -0.1474000E-01 1.325000      ?             ?      
1 1 1 11 26 69 o -0.6117000     1.334000      ?             ?      
1 1 1 11 27 0  o 24.27000       1.450000      927.6217      -90.0  
1 1 1 11 27 1  o 16.46000       1.009000      599.9373      163.3  
1 1 1 11 27 2  o 124.7000       3.484000      1524.903      142.7  
1 1 1 11 27 3  o 6.626000       0.9542000     422.2687      -108.5 
1 1 1 11 27 4  o 21.68000       1.069000      638.7952      159.1  
1 1 1 11 27 5  o 9.595000       0.8869000     468.2689      -147.4 
1 1 1 11 27 6  o 3.933000       0.8816000     140.7852      -65.9  
1 1 1 11 27 7  o 17.53000       1.127000      1063.030      52.3   
1 1 1 11 27 8  o 73.20000       2.007000      1183.173      -89.6  
1 1 1 11 27 9  o 79.46000       2.058000      1347.523      71.3   
1 1 1 11 27 10 o 82.82000       2.142000      1467.139      -135.2 
1 1 1 11 27 11 o 52.64000       1.839000      1198.551      81.6   
1 1 1 11 27 12 o 7.030000       1.087000      568.2784      154.1  
1 1 1 11 27 13 o 42.20000       1.546000      898.3625      36.7   
1 1 1 11 27 14 o 92.76000       2.594000      1291.134      -147.3 
1 1 1 11 27 15 o 7.782000       1.135000      391.2267      7.5    
1 1 1 11 27 16 o 40.53000       1.802000      1198.668      -108.8 
1 1 1 11 27 17 o 3.866000       1.052000      411.3324      94.5   
1 1 1 11 27 18 o 5.200000       1.161000      424.1150      -36.0  
1 1 1 11 27 19 o 5.022000       1.366000      491.8896      -57.2  
1 1 1 11 27 20 o 4.231000       1.364000      253.3305      51.6   
1 1 1 11 27 21 o 11.12000       0.9920000     440.0646      -29.0  
1 1 1 11 27 22 o 21.38000       1.063000      672.8101      48.8   
1 1 1 11 27 23 o 17.91000       0.9855000     659.9653      73.8   
1 1 1 11 27 24 o 39.31000       1.490000      933.3640      -123.4 
1 1 1 11 27 25 o 26.43000       1.506000      723.4608      74.2   
1 1 1 11 27 26 o 6.353000       1.353000      473.8454      84.5   
1 1 1 11 27 27 o 14.11000       1.128000      678.8024      39.7   
1 1 1 11 27 28 o 18.27000       1.090000      591.8024      178.0  
1 1 1 11 27 29 o 46.34000       1.493000      920.1332      95.5   
1 1 1 11 27 30 o 26.42000       1.176000      740.7471      31.1   
1 1 1 11 27 31 o 3.647000       0.8819000     319.9186      -157.8 
1 1 1 11 27 32 o 0.9424000      0.8770000     12.25480      -121.9 
1 1 1 11 27 33 o 14.65000       0.9859000     564.7845      76.6   
1 1 1 11 27 34 f 56.50000       1.621000      1226.644      128.3  
1 1 1 11 27 35 o 25.51000       1.219000      720.0574      -157.7 
1 1 1 11 27 36 o 11.52000       1.175000      443.6693      68.1   
1 1 1 11 27 37 o 5.982000       1.072000      324.1999      -163.4 
1 1 1 11 27 38 o 27.79000       1.233000      653.1866      69.7   
1 1 1 11 27 39 o 17.00000       1.253000      655.0153      128.6  
1 1 1 11 27 40 o 34.76000       1.395000      880.5377      64.9   
1 1 1 11 27 41 o 4.361000       1.086000      264.8613      -33.8  
1 1 1 11 27 42 o 5.628000       1.215000      356.3336      -1.8   
1 1 1 11 27 43 o 0.7783000      1.314000      197.9552      -74.7  
1 1 1 11 27 44 o 4.270000       1.260000      267.4647      -64.5  
1 1 1 11 27 45 o 1.180000       1.315000      157.6355      97.2   
1 1 1 11 27 46 o 9.331000       1.524000      528.2996      91.6   
1 1 1 11 27 47 o 3.655000       1.371000      265.9570      -57.0  
1 1 1 11 27 48 o 5.290000       1.259000      342.5575      -91.5  
1 1 1 11 27 49 o 3.679000       1.244000      244.7034      -106.5 
1 1 1 11 27 50 o 8.157000       1.281000      311.5561      43.8   
1 1 1 11 27 51 o 3.198000       1.369000      308.5715      88.7   
1 1 1 11 27 52 o 2.379000       1.483000      ?             ?      
1 1 1 11 27 53 o 10.85000       1.380000      ?             ?      
1 1 1 11 27 54 o 3.260000       1.247000      ?             ?      
1 1 1 11 27 55 o 15.42000       1.371000      ?             ?      
1 1 1 11 27 56 o 9.420000       1.427000      ?             ?      
1 1 1 11 27 57 o 6.339000       1.384000      ?             ?      
1 1 1 11 27 58 o 0.8274000      1.355000      ?             ?      
1 1 1 11 27 59 o 1.481000       1.345000      ?             ?      
1 1 1 11 27 60 o 4.908000       1.420000      ?             ?      
1 1 1 11 27 61 o 2.000000       1.488000      ?             ?      
1 1 1 11 27 62 o 0.6848000E-01  1.597000      ?             ?      
1 1 1 11 27 63 o 3.724000       1.531000      ?             ?      
1 1 1 11 27 64 o 1.722000       1.376000      ?             ?      
1 1 1 11 27 65 o 2.722000       1.423000      ?             ?      
1 1 1 11 27 66 o 0.8860000      1.476000      ?             ?      
1 1 1 11 27 67 o 0.7220000      1.366000      ?             ?      
1 1 1 11 27 68 o 5.623000       1.348000      ?             ?      
1 1 1 11 27 69 o 0.7372000      1.336000      ?             ?      
1 1 1 11 28 0  o 144.7000       4.355000      1510.650      -90.0  
1 1 1 11 28 1  o 226.6000       5.718000      1735.865      -153.0 
1 1 1 11 28 2  o 18.96000       1.353000      851.9129      110.5  
1 1 1 11 28 3  o 117.9000       3.131000      1597.678      -142.8 
1 1 1 11 28 4  o 11.28000       0.9691000     508.2357      18.1   
1 1 1 11 28 5  o 2.787000       0.8519000     279.4367      -83.8  
1 1 1 11 28 6  o 26.23000       1.130000      564.3441      45.9   
1 1 1 11 28 7  o 22.93000       1.054000      733.0457      -169.0 
1 1 1 11 28 8  o 32.91000       1.366000      606.7728      -161.9 
1 1 1 11 28 9  o 0.7017000      1.028000      280.9764      147.9  
1 1 1 11 28 10 o 45.20000       1.501000      985.6289      -98.5  
1 1 1 11 28 11 o 18.26000       1.183000      576.7657      -91.8  
1 1 1 11 28 12 o 51.41000       1.682000      970.8120      25.5   
1 1 1 11 28 13 o 8.496000       1.305000      879.9307      61.3   
1 1 1 11 28 14 o 46.88000       2.063000      1108.439      83.0   
1 1 1 11 28 15 o 109.6000       3.054000      1430.981      -92.1  
1 1 1 11 28 16 o 2.130000       1.330000      290.0908      78.2   
1 1 1 11 28 17 o 20.41000       1.758000      816.2085      80.2   
1 1 1 11 28 18 o 2.952000       1.344000      308.6076      -82.5  
1 1 1 11 28 19 o 9.068000       1.357000      459.1951      -129.0 
1 1 1 11 28 20 o 14.37000       1.169000      577.5867      72.2   
1 1 1 11 28 21 o 137.7000       3.181000      1529.584      107.4  
1 1 1 11 28 22 o 19.13000       1.027000      727.9763      -86.0  
1 1 1 11 28 23 o 41.05000       1.324000      851.4946      -89.6  
1 1 1 11 28 24 o -0.8221000     0.9034000     148.4417      82.8   
1 1 1 11 28 25 o 28.70000       1.443000      861.2953      -36.1  
1 1 1 11 28 26 o 11.10000       1.185000      592.5611      151.3  
1 1 1 11 28 27 o 17.40000       1.436000      404.5288      15.1   
1 1 1 11 28 28 o 53.80000       2.385000      711.8943      92.4   
1 1 1 11 28 29 o 5.030000       0.9577000     418.8894      123.1  
1 1 1 11 28 30 o 5.964000       0.9020000     445.1156      -45.6  
1 1 1 11 28 31 o 1.817000       0.8636000     273.3032      124.0  
1 1 1 11 28 32 o 4.185000       1.076000      228.6480      -136.4 
1 1 1 11 28 33 o 27.79000       1.213000      617.9783      -115.1 
1 1 1 11 28 34 o 11.17000       1.026000      414.8735      52.4   
1 1 1 11 28 35 o 19.10000       1.256000      761.5395      174.2  
1 1 1 11 28 36 o 5.095000       1.116000      262.3114      101.8  
1 1 1 11 28 37 o 34.91000       1.407000      849.2697      147.0  
1 1 1 11 28 38 o 1.302000       0.9890000     188.3439      -33.7  
1 1 1 11 28 39 o 14.45000       1.111000      643.2465      -155.8 
1 1 1 11 28 40 o 11.84000       1.129000      601.3729      75.9   
1 1 1 11 28 41 o 30.79000       1.364000      698.7818      111.5  
1 1 1 11 28 42 o 21.56000       1.277000      644.6983      -11.0  
1 1 1 11 28 43 o -0.2645000     1.213000      22.44962      109.2  
1 1 1 11 28 44 o 11.33000       1.413000      470.9537      -147.5 
1 1 1 11 28 45 o 3.524000       1.310000      102.9359      -60.5  
1 1 1 11 28 46 o 4.944000       1.401000      379.4067      50.1   
1 1 1 11 28 47 o 25.16000       1.745000      743.0637      -105.0 
1 1 1 11 28 48 o 4.235000       1.397000      263.5414      34.6   
1 1 1 11 28 49 o 6.001000       1.254000      218.6615      101.3  
1 1 1 11 28 50 o 11.22000       1.371000      407.6278      -63.0  
1 1 1 11 28 51 o 3.359000       1.476000      235.5973      54.0   
1 1 1 11 28 52 o 4.161000       1.383000      ?             ?      
1 1 1 11 28 53 o 2.249000       1.370000      ?             ?      
1 1 1 11 28 54 o 7.731000       1.427000      ?             ?      
1 1 1 11 28 55 o 3.350000       1.384000      ?             ?      
1 1 1 11 28 56 o 3.418000       1.377000      ?             ?      
1 1 1 11 28 57 o -0.1499000     1.306000      ?             ?      
1 1 1 11 28 58 o 0.2193000      1.347000      ?             ?      
1 1 1 11 28 59 o 2.382000       1.378000      ?             ?      
1 1 1 11 28 60 o 8.156000       1.418000      ?             ?      
1 1 1 11 28 61 o -1.109000      1.434000      ?             ?      
1 1 1 11 28 62 o 4.083000       1.360000      ?             ?      
1 1 1 11 28 63 o 0.1191000      1.380000      ?             ?      
1 1 1 11 28 64 o -1.794000      1.513000      ?             ?      
1 1 1 11 28 65 o 3.161000       1.470000      ?             ?      
1 1 1 11 28 66 o 5.175000       1.514000      ?             ?      
1 1 1 11 28 67 o 2.393000       1.309000      ?             ?      
1 1 1 11 28 68 o 0.4156000      1.324000      ?             ?      
1 1 1 11 29 0  o 210.1000       6.111000      2050.054      -90.0  
1 1 1 11 29 1  o 40.67000       1.279000      684.9246      140.0  
1 1 1 11 29 2  o 193.6000       4.632000      2129.979      -37.6  
1 1 1 11 29 3  o 471.0000       10.81000      2809.342      176.7  
1 1 1 11 29 4  o 7.609000       0.9478000     210.1032      -78.3  
1 1 1 11 29 5  o 0.8910000      1.144000      546.5153      51.5   
1 1 1 11 29 6  o 58.61000       1.506000      911.5161      -73.9  
1 1 1 11 29 7  o 14.85000       0.9404000     385.3588      99.8   
1 1 1 11 29 8  o 15.58000       0.9828000     535.7911      -148.7 
1 1 1 11 29 9  o 20.61000       1.179000      700.0221      9.8    
1 1 1 11 29 10 o 1.965000       1.011000      363.0882      -149.6 
1 1 1 11 29 11 o 19.15000       1.234000      782.7046      47.3   
1 1 1 11 29 12 o 74.18000       2.064000      1055.495      34.4   
1 1 1 11 29 13 o 17.35000       1.178000      559.9982      80.0   
1 1 1 11 29 14 o 7.186000       1.167000      363.7958      153.1  
1 1 1 11 29 15 o 2.410000       1.303000      77.55142      47.2   
1 1 1 11 29 16 o 28.81000       1.671000      678.8559      158.6  
1 1 1 11 29 17 o 12.37000       1.268000      470.8833      -126.9 
1 1 1 11 29 18 o 0.7769000      1.302000      201.1704      -171.4 
1 1 1 11 29 19 o 9.094000       1.344000      628.0573      1.2    
1 1 1 11 29 20 o 25.32000       1.237000      741.3830      -95.2  
1 1 1 11 29 21 o 10.48000       1.072000      599.9794      134.6  
1 1 1 11 29 22 o 18.35000       1.154000      695.3726      4.3    
1 1 1 11 29 23 o 13.61000       0.9272000     677.4416      68.3   
1 1 1 11 29 24 o 2.219000       0.8198000     454.2531      46.2   
1 1 1 11 29 25 o 35.75000       1.290000      969.9000      34.1   
1 1 1 11 29 26 o 7.489000       0.9621000     339.9980      177.3  
1 1 1 11 29 27 o 6.723000       1.212000      254.4282      171.0  
1 1 1 11 29 28 o 25.99000       1.359000      759.4245      94.8   
1 1 1 11 29 29 o 14.45000       1.146000      678.8103      49.1   
1 1 1 11 29 30 o 19.08000       1.134000      752.5455      -106.7 
1 1 1 11 29 31 o 15.15000       1.097000      571.3026      125.8  
1 1 1 11 29 32 o 12.13000       0.9888000     468.7759      4.5    
1 1 1 11 29 33 o 6.750000       0.9185000     305.5077      164.0  
1 1 1 11 29 34 o 7.469000       0.9829000     303.9277      -61.5  
1 1 1 11 29 35 o 5.130000       1.058000      213.2962      -26.0  
1 1 1 11 29 36 o 5.257000       1.192000      332.8390      20.0   
1 1 1 11 29 37 o 29.11000       1.242000      970.0333      158.3  
1 1 1 11 29 38 o 25.27000       1.214000      747.6899      -44.3  
1 1 1 11 29 39 o 15.68000       1.134000      600.6335      114.4  
1 1 1 11 29 40 o 9.626000       1.112000      381.5154      -87.5  
1 1 1 11 29 41 o 20.51000       1.265000      702.0339      124.2  
1 1 1 11 29 42 o 7.401000       1.160000      286.9457      9.6    
1 1 1 11 29 43 o -3.195000      1.220000      132.1536      -125.1 
1 1 1 11 29 44 o 2.171000       1.353000      53.28783      -147.1 
1 1 1 11 29 45 o 14.01000       1.415000      410.5733      118.1  
1 1 1 11 29 46 o 0.7285000      1.230000      199.6411      13.5   
1 1 1 11 29 47 o 28.43000       1.671000      738.5663      -13.4  
1 1 1 11 29 48 o 12.21000       1.605000      562.4835      7.7    
1 1 1 11 29 49 o 15.95000       1.338000      622.5173      100.5  
1 1 1 11 29 50 o 17.18000       1.492000      736.2299      120.1  
1 1 1 11 29 51 o 9.982000       1.736000      ?             ?      
1 1 1 11 29 52 o 8.537000       1.556000      ?             ?      
1 1 1 11 29 53 o 7.389000       1.404000      ?             ?      
1 1 1 11 29 54 o 4.229000       1.391000      ?             ?      
1 1 1 11 29 55 o 10.29000       1.395000      ?             ?      
1 1 1 11 29 56 o 0.5901000      1.334000      ?             ?      
1 1 1 11 29 57 o -1.446000      1.330000      ?             ?      
1 1 1 11 29 58 o 3.967000       1.201000      ?             ?      
1 1 1 11 29 59 o 3.122000       1.215000      ?             ?      
1 1 1 11 29 60 o 2.383000       1.213000      ?             ?      
1 1 1 11 29 61 o -0.3423000     1.356000      ?             ?      
1 1 1 11 29 63 f 5.752000       1.684000      ?             ?      
1 1 1 11 29 64 o -2.578000      1.787000      ?             ?      
1 1 1 11 29 65 o 3.410000       1.671000      ?             ?      
1 1 1 11 29 66 o -1.648000      1.356000      ?             ?      
1 1 1 11 29 67 o 3.475000       1.319000      ?             ?      
1 1 1 11 29 68 o 4.691000       1.352000      ?             ?      
1 1 1 11 30 0  o -1.417000      1.112000      115.9072      -90.0  
1 1 1 11 30 1  o 4.385000       0.8103000     76.69397      127.8  
1 1 1 11 30 2  o 49.00000       1.466000      892.8800      -176.4 
1 1 1 11 30 3  o 19.28000       1.087000      761.6098      -174.5 
1 1 1 11 30 4  o 61.75000       1.706000      1034.230      -157.4 
1 1 1 11 30 5  o 17.72000       0.9967000     527.7440      35.1   
1 1 1 11 30 6  o 5.052000       0.8638000     321.9882      112.9  
1 1 1 11 30 7  o 49.49000       1.354000      808.0592      85.9   
1 1 1 11 30 8  o 5.384000       0.8924000     185.4811      -137.2 
1 1 1 11 30 9  o 32.55000       1.302000      771.0011      -169.7 
1 1 1 11 30 10 o 11.85000       1.046000      344.8853      6.4    
1 1 1 11 30 11 o 16.82000       1.197000      651.1999      -174.9 
1 1 1 11 30 12 o 14.81000       1.216000      659.9041      27.8   
1 1 1 11 30 13 o 0.5184000      1.026000      288.6963      82.9   
1 1 1 11 30 14 o 8.572000       1.197000      374.9305      -62.9  
1 1 1 11 30 15 o 25.91000       1.855000      489.7121      -29.9  
1 1 1 11 30 16 o 2.189000       1.343000      512.1017      45.5   
1 1 1 11 30 17 o 16.38000       1.308000      555.2344      107.1  
1 1 1 11 30 18 o 4.604000       1.328000      289.9186      -89.6  
1 1 1 11 30 19 o 19.18000       1.177000      658.2427      -130.1 
1 1 1 11 30 20 o 190.4000       5.034000      1885.217      49.5   
1 1 1 11 30 21 o 19.04000       1.299000      728.3279      124.5  
1 1 1 11 30 22 o 30.55000       1.435000      1056.319      -116.9 
1 1 1 11 30 23 o 18.37000       1.120000      748.9837      101.8  
1 1 1 11 30 24 o 3.296000       0.8395000     312.7101      87.9   
1 1 1 11 30 25 o 13.09000       0.8847000     350.2199      106.1  
1 1 1 11 30 26 o 13.47000       1.008000      474.4993      138.7  
1 1 1 11 30 27 o 13.41000       1.008000      339.7492      105.8  
1 1 1 11 30 28 o 41.91000       1.606000      723.3623      -93.2  
1 1 1 11 30 29 o 0.5203000      1.074000      12.76562      -56.3  
1 1 1 11 30 30 o 8.480000       1.154000      597.6024      -155.8 
1 1 1 11 30 31 f 1.036000       0.9174000     154.7520      -77.5  
1 1 1 11 30 32 o 11.19000       0.9702000     277.5856      113.9  
1 1 1 11 30 33 o 21.85000       1.131000      630.8334      46.4   
1 1 1 11 30 34 o 10.62000       1.164000      409.9576      110.7  
1 1 1 11 30 35 o 45.78000       1.748000      938.6268      146.9  
1 1 1 11 30 36 o 8.881000       1.051000      406.2882      -81.4  
1 1 1 11 30 37 o 23.28000       1.179000      672.1225      135.3  
1 1 1 11 30 38 o 6.538000       1.061000      393.2968      -127.6 
1 1 1 11 30 39 o 0.3435000      1.064000      195.4661      -179.3 
1 1 1 11 30 40 o 3.759000       1.102000      395.8543      -87.7  
1 1 1 11 30 41 o 10.24000       1.177000      330.9800      -177.9 
1 1 1 11 30 42 o 21.02000       1.298000      637.2916      -174.8 
1 1 1 11 30 43 o 4.054000       1.173000      294.7707      152.6  
1 1 1 11 30 44 o 21.82000       1.461000      662.2814      -122.5 
1 1 1 11 30 45 o 13.46000       1.506000      569.4137      26.8   
1 1 1 11 30 46 o 0.9708000      1.328000      119.0947      -118.8 
1 1 1 11 30 47 o 27.01000       1.989000      584.7818      170.0  
1 1 1 11 30 48 o 4.593000       1.529000      284.8701      101.9  
1 1 1 11 30 49 o 7.631000       1.537000      445.7446      -71.0  
1 1 1 11 30 50 o 8.242000       1.716000      ?             ?      
1 1 1 11 30 51 o 0.5885000      1.574000      ?             ?      
1 1 1 11 30 52 o 2.458000       1.679000      ?             ?      
1 1 1 11 30 53 o 1.935000       1.345000      ?             ?      
1 1 1 11 30 54 o 2.198000       1.336000      ?             ?      
1 1 1 11 30 55 o 4.504000       1.344000      ?             ?      
1 1 1 11 30 56 o 15.84000       1.331000      ?             ?      
1 1 1 11 30 57 o 8.653000       1.245000      ?             ?      
1 1 1 11 30 58 o -1.124000      1.186000      ?             ?      
1 1 1 11 30 59 o 1.024000       1.192000      ?             ?      
1 1 1 11 30 60 o 7.298000       1.252000      ?             ?      
1 1 1 11 30 61 o 4.928000       1.401000      ?             ?      
1 1 1 11 30 62 o 1.307000       1.764000      ?             ?      
1 1 1 11 30 63 o 0.5089000      1.419000      ?             ?      
1 1 1 11 30 64 o 2.869000       2.105000      ?             ?      
1 1 1 11 30 65 o 4.636000       2.503000      ?             ?      
1 1 1 11 30 67 o -1.713000      1.778000      ?             ?      
1 1 1 11 31 0  o 4.113000       1.117000      522.7868      -90.0  
1 1 1 11 31 1  o 47.16000       1.305000      976.1561      -145.9 
1 1 1 11 31 2  o 8.714000       0.8880000     843.9116      -19.1  
1 1 1 11 31 3  o 21.15000       1.011000      673.3885      156.5  
1 1 1 11 31 4  o 2.376000       0.8929000     71.23667      65.9   
1 1 1 11 31 5  o 85.19000       2.148000      1276.509      -111.1 
1 1 1 11 31 6  o 6.357000       0.8486000     261.2611      50.6   
1 1 1 11 31 7  o 9.860000       0.8679000     433.7232      -82.8  
1 1 1 11 31 8  o -0.1391000     0.8368000     115.8526      -62.9  
1 1 1 11 31 9  o 8.049000       1.035000      596.6649      -86.1  
1 1 1 11 31 10 o 9.809000       1.076000      635.2129      153.2  
1 1 1 11 31 11 o 53.29000       1.784000      979.8993      31.2   
1 1 1 11 31 12 o 13.62000       1.061000      708.6838      75.6   
1 1 1 11 31 13 o 2.824000       1.006000      139.0291      122.2  
1 1 1 11 31 14 o 31.99000       1.895000      988.6970      49.3   
1 1 1 11 31 15 o 34.47000       1.999000      778.1093      -90.5  
1 1 1 11 31 16 o 16.58000       1.358000      573.5502      121.4  
1 1 1 11 31 17 o 56.30000       2.349000      1220.433      -22.0  
1 1 1 11 31 18 o 14.36000       1.448000      647.6487      50.1   
1 1 1 11 31 19 o 33.31000       1.427000      870.8843      -175.9 
1 1 1 11 31 20 o 51.73000       1.689000      1125.501      -87.6  
1 1 1 11 31 21 o 4.098000       1.021000      435.0303      -166.2 
1 1 1 11 31 22 o 11.37000       1.045000      631.8909      -51.5  
1 1 1 11 31 23 o 39.96000       1.374000      656.8103      -66.3  
1 1 1 11 31 24 o 5.626000       1.006000      347.1310      -3.1   
1 1 1 11 31 25 o 2.039000       0.8394000     244.0811      -178.4 
1 1 1 11 31 26 o 55.57000       1.618000      1040.933      156.6  
1 1 1 11 31 27 o 31.65000       1.313000      847.8926      37.7   
1 1 1 11 31 28 o 14.95000       1.033000      538.6312      -66.5  
1 1 1 11 31 29 o 13.81000       1.225000      590.3887      -47.7  
1 1 1 11 31 30 o 31.15000       1.381000      716.8681      -129.9 
1 1 1 11 31 31 o 21.53000       1.061000      473.4074      -174.4 
1 1 1 11 31 32 f 2.199000       0.9038000     356.6510      58.0   
1 1 1 11 31 33 o 16.64000       1.148000      517.0213      -123.9 
1 1 1 11 31 34 o 2.622000       1.027000      364.6190      -54.9  
1 1 1 11 31 35 o 12.97000       1.106000      664.8759      -6.0   
1 1 1 11 31 36 o 58.97000       1.822000      1211.466      -97.9  
1 1 1 11 31 37 o 1.469000       1.092000      107.9092      -5.2   
1 1 1 11 31 38 o 3.126000       1.079000      224.8078      39.4   
1 1 1 11 31 39 o 0.8387000      1.113000      253.1691      20.3   
1 1 1 11 31 40 o 26.87000       1.339000      763.7122      -158.3 
1 1 1 11 31 41 o 18.51000       1.307000      618.1650      74.6   
1 1 1 11 31 42 o 17.94000       1.332000      537.3651      -95.0  
1 1 1 11 31 43 o 3.730000       1.173000      378.9489      -96.0  
1 1 1 11 31 44 o 10.84000       1.343000      402.8781      82.8   
1 1 1 11 31 45 o 4.905000       1.423000      346.5106      72.1   
1 1 1 11 31 46 o 10.32000       1.387000      454.4525      159.1  
1 1 1 11 31 47 o 22.86000       1.547000      736.1876      27.3   
1 1 1 11 31 48 o 12.43000       1.483000      495.2539      76.4   
1 1 1 11 31 49 o 0.8149000      1.751000      ?             ?      
1 1 1 11 31 50 o 21.24000       2.908000      ?             ?      
1 1 1 11 31 51 o 3.724000       1.412000      ?             ?      
1 1 1 11 31 52 o 6.142000       1.360000      ?             ?      
1 1 1 11 31 53 o 0.1015000      1.197000      ?             ?      
1 1 1 11 31 54 o 25.68000       1.425000      ?             ?      
1 1 1 11 31 55 o 1.256000       1.198000      ?             ?      
1 1 1 11 31 56 o 12.34000       1.282000      ?             ?      
1 1 1 11 31 57 o 8.573000       1.235000      ?             ?      
1 1 1 11 31 58 o 3.947000       1.199000      ?             ?      
1 1 1 11 31 59 o 5.674000       1.224000      ?             ?      
1 1 1 11 31 60 o 5.160000       1.232000      ?             ?      
1 1 1 11 31 61 o 1.463000       1.229000      ?             ?      
1 1 1 11 31 62 o 9.035000       1.463000      ?             ?      
1 1 1 11 31 63 o 1.692000       1.723000      ?             ?      
1 1 1 11 31 64 o 0.7450000      2.266000      ?             ?      
1 1 1 11 31 65 o 2.154000       2.485000      ?             ?      
1 1 1 11 31 66 o 1.147000       1.435000      ?             ?      
1 1 1 11 32 0  o 0.8103000      1.061000      77.36620      -90.0  
1 1 1 11 32 1  o 6.377000       0.7819000     203.6257      139.6  
1 1 1 11 32 2  o 14.48000       0.8713000     527.8522      -96.1  
1 1 1 11 32 3  o 43.09000       1.329000      933.0010      97.1   
1 1 1 11 32 4  o 4.440000       0.8919000     289.8497      119.7  
1 1 1 11 32 5  o 15.27000       0.9468000     373.4064      -57.2  
1 1 1 11 32 6  o 37.09000       1.183000      929.2960      118.9  
1 1 1 11 32 7  o -0.4205000E-02 0.7897000     266.3349      14.7   
1 1 1 11 32 8  o 7.480000       0.8499000     507.8708      -128.2 
1 1 1 11 32 9  o 5.496000       0.8685000     379.9081      -171.6 
1 1 1 11 32 10 o 14.14000       1.113000      468.9951      -91.5  
1 1 1 11 32 11 o 92.53000       2.563000      1257.787      -115.6 
1 1 1 11 32 12 o -0.5381000     0.9682000     268.1107      -110.8 
1 1 1 11 32 13 o 44.03000       1.825000      1099.925      -129.8 
1 1 1 11 32 14 o 1.710000       1.391000      443.3143      29.2   
1 1 1 11 32 15 o 11.90000       1.759000      474.3292      151.2  
1 1 1 11 32 16 o 13.74000       1.316000      539.8093      -3.3   
1 1 1 11 32 17 o 51.09000       2.513000      940.5352      -153.0 
1 1 1 11 32 18 o 57.61000       1.823000      1197.677      42.8   
1 1 1 11 32 19 o 66.79000       2.268000      1172.631      -1.3   
1 1 1 11 32 20 o 46.38000       1.731000      958.3981      0.3    
1 1 1 11 32 21 o 36.52000       1.567000      906.9641      90.1   
1 1 1 11 32 22 o -1.514000      0.9459000     223.2171      -65.6  
1 1 1 11 32 23 o 4.891000       0.9595000     515.5670      105.6  
1 1 1 11 32 24 f 7.532000       0.9773000     430.9500      42.4   
1 1 1 11 32 25 o 1.714000       1.142000      279.9929      121.7  
1 1 1 11 32 26 o 33.85000       1.276000      762.5020      152.3  
1 1 1 11 32 27 o 0.5920000      0.7993000     110.6540      -81.5  
1 1 1 11 32 28 o 12.36000       1.010000      579.7670      28.6   
1 1 1 11 32 29 o 10.42000       0.9568000     453.9747      -87.3  
1 1 1 11 32 30 o 8.970000       1.132000      507.2764      -136.1 
1 1 1 11 32 31 o 22.19000       1.247000      695.9095      -0.9   
1 1 1 11 32 32 o 16.30000       1.058000      516.9666      24.0   
1 1 1 11 32 33 o 6.287000       1.055000      319.2207      171.4  
1 1 1 11 32 34 o 8.673000       1.124000      541.5765      -49.2  
1 1 1 11 32 35 o -0.6544000     0.9900000     156.6252      -16.8  
1 1 1 11 32 36 o 5.068000       1.058000      338.2933      73.5   
1 1 1 11 32 37 o 0.5334000      1.028000      208.1180      143.5  
1 1 1 11 32 38 o 4.516000       1.036000      313.7451      -97.8  
1 1 1 11 32 39 o 15.62000       1.198000      521.6731      -121.8 
1 1 1 11 32 40 o 8.647000       1.304000      483.7444      33.1   
1 1 1 11 32 41 o 31.17000       1.565000      800.1355      -116.1 
1 1 1 11 32 42 o 2.889000       1.199000      205.5357      169.5  
1 1 1 11 32 43 o 2.744000       1.151000      247.0949      -91.3  
1 1 1 11 32 44 o 32.19000       1.548000      835.1869      -124.2 
1 1 1 11 32 45 o 7.748000       1.708000      348.0787      -38.6  
1 1 1 11 32 46 o 52.88000       2.174000      ?             ?      
1 1 1 11 32 47 o 25.79000       1.929000      844.6909      122.9  
1 1 1 11 32 48 o 6.560000       1.407000      ?             ?      
1 1 1 11 32 49 o 10.83000       1.996000      ?             ?      
1 1 1 11 32 50 o 17.19000       2.666000      ?             ?      
1 1 1 11 32 51 o 4.795000       1.218000      ?             ?      
1 1 1 11 32 52 o 7.691000       1.212000      ?             ?      
1 1 1 11 32 53 o 2.081000       1.172000      ?             ?      
1 1 1 11 32 54 o 0.3147000E-01  1.184000      ?             ?      
1 1 1 11 32 55 o 10.37000       1.263000      ?             ?      
1 1 1 11 32 56 o 3.258000       1.194000      ?             ?      
1 1 1 11 32 57 o 3.434000       1.192000      ?             ?      
1 1 1 11 32 58 o 4.057000       1.196000      ?             ?      
1 1 1 11 32 59 o 0.6635000      1.198000      ?             ?      
1 1 1 11 32 60 o 4.007000       1.229000      ?             ?      
1 1 1 11 32 61 o 4.240000       1.256000      ?             ?      
1 1 1 11 32 62 o 2.486000       1.506000      ?             ?      
1 1 1 11 32 63 o -0.2120000     2.022000      ?             ?      
1 1 1 11 32 64 o 1.747000       1.599000      ?             ?      
1 1 1 11 32 65 o 1.889000       1.440000      ?             ?      
1 1 1 11 32 66 o 4.497000       1.614000      ?             ?      
1 1 1 11 33 0  o 5.932000       1.069000      604.0029      90.0   
1 1 1 11 33 1  o 11.92000       0.8106000     334.3074      4.5    
1 1 1 11 33 2  o 43.08000       1.236000      598.4905      -56.6  
1 1 1 11 33 3  o 3.804000       0.7809000     260.9615      165.4  
1 1 1 11 33 4  o -0.5663000     0.8356000     106.1292      -68.7  
1 1 1 11 33 5  o 15.08000       0.9329000     411.5672      -60.9  
1 1 1 11 33 6  f 12.30000       0.9030000     736.8745      45.0   
1 1 1 11 33 7  o 4.981000       0.7978000     329.9376      -34.0  
1 1 1 11 33 8  o 37.32000       1.165000      717.4209      -149.0 
1 1 1 11 33 9  o 2.570000       0.9769000     270.0785      -74.3  
1 1 1 11 33 10 o 67.23000       2.049000      1316.762      5.6    
1 1 1 11 33 11 o 5.577000       1.029000      605.0793      -46.9  
1 1 1 11 33 12 o 44.94000       1.659000      892.4139      -32.2  
1 1 1 11 33 13 o 6.441000       0.9703000     350.7094      -70.0  
1 1 1 11 33 14 o 7.776000       1.451000      265.9928      -125.9 
1 1 1 11 33 15 o 18.45000       1.326000      729.0989      -41.5  
1 1 1 11 33 16 o 14.12000       1.711000      867.9221      34.1   
1 1 1 11 33 17 o 28.09000       1.935000      1093.122      35.6   
1 1 1 11 33 18 o 0.9361000E-01  1.115000      71.00914      -90.3  
1 1 1 11 33 19 o 54.27000       1.919000      1048.130      -158.3 
1 1 1 11 33 20 o 13.69000       1.135000      474.8270      28.3   
1 1 1 11 33 21 o 2.075000       0.9985000     271.6386      60.8   
1 1 1 11 33 22 o -0.4687000     0.9891000     120.7530      0.3    
1 1 1 11 33 23 o 55.84000       1.720000      1019.922      -128.1 
1 1 1 11 33 24 o 8.647000       1.002000      478.3089      -168.6 
1 1 1 11 33 25 o 9.957000       1.003000      403.0482      134.7  
1 1 1 11 33 26 o 9.681000       1.072000      312.2238      131.3  
1 1 1 11 33 27 o 6.148000       0.8303000     265.5773      126.8  
1 1 1 11 33 28 o 13.80000       0.9393000     488.5548      -62.9  
1 1 1 11 33 29 o 11.76000       0.9749000     438.2843      23.6   
1 1 1 11 33 30 o 1.766000       0.8810000     240.5189      126.0  
1 1 1 11 33 31 o 1.676000       1.116000      130.0347      73.1   
1 1 1 11 33 32 o 6.683000       1.180000      378.9113      28.5   
1 1 1 11 33 33 o 2.278000       0.9777000     275.9046      -6.0   
1 1 1 11 33 34 o 5.821000       0.9730000     298.4853      -157.1 
1 1 1 11 33 35 o 12.69000       1.031000      546.6329      -89.6  
1 1 1 11 33 36 o 17.72000       1.108000      656.0620      -117.6 
1 1 1 11 33 37 o 28.37000       1.373000      722.9628      88.5   
1 1 1 11 33 38 o 0.5631000      1.031000      176.8234      94.0   
1 1 1 11 33 39 o 7.164000       1.134000      278.7485      -1.8   
1 1 1 11 33 40 o 4.832000       1.150000      404.7478      -45.1  
1 1 1 11 33 41 o 0.6102000      1.084000      206.2012      119.2  
1 1 1 11 33 42 o 13.62000       1.249000      639.3603      -47.0  
1 1 1 11 33 43 o 7.248000       1.479000      415.3565      16.0   
1 1 1 11 33 44 o 4.796000       1.351000      437.1676      82.0   
1 1 1 11 33 45 o 17.37000       1.593000      584.5175      -58.6  
1 1 1 11 33 46 o 0.7215000      1.455000      184.5423      171.9  
1 1 1 11 33 47 o 1.501000       1.391000      ?             ?      
1 1 1 11 33 48 o 3.342000       1.632000      ?             ?      
1 1 1 11 33 49 o 19.02000       2.152000      ?             ?      
1 1 1 11 33 50 o 2.221000       1.626000      ?             ?      
1 1 1 11 33 51 o 3.063000       1.327000      ?             ?      
1 1 1 11 33 52 o 7.187000       1.196000      ?             ?      
1 1 1 11 33 53 o 0.6845000      1.327000      ?             ?      
1 1 1 11 33 55 o 1.140000       1.163000      ?             ?      
1 1 1 11 33 56 o 3.644000       1.250000      ?             ?      
1 1 1 11 33 57 o 4.759000       1.187000      ?             ?      
1 1 1 11 33 58 o 1.407000       1.174000      ?             ?      
1 1 1 11 33 59 o 2.715000       1.210000      ?             ?      
1 1 1 11 33 60 o 3.638000       1.226000      ?             ?      
1 1 1 11 33 61 o 1.623000       1.225000      ?             ?      
1 1 1 11 33 62 o 2.767000       1.370000      ?             ?      
1 1 1 11 33 63 o 1.258000       1.627000      ?             ?      
1 1 1 11 33 64 o 2.005000       1.636000      ?             ?      
1 1 1 11 33 65 o 4.769000       1.438000      ?             ?      
1 1 1 11 34 0  o 20.78000       1.282000      692.5709      90.0   
1 1 1 11 34 1  o -0.4456000E-01 0.7290000     167.1490      34.5   
1 1 1 11 34 2  o 13.38000       0.8770000     498.5685      -146.4 
1 1 1 11 34 3  o 0.8870000      0.7677000     204.6574      112.1  
1 1 1 11 34 4  o 13.51000       0.8781000     315.2367      104.4  
1 1 1 11 34 5  o 8.628000       0.8916000     289.0428      57.5   
1 1 1 11 34 6  o 32.87000       1.162000      832.7582      -139.8 
1 1 1 11 34 7  o 1.258000       0.7807000     338.1317      -64.4  
1 1 1 11 34 8  o 3.514000       0.7995000     470.2940      105.0  
1 1 1 11 34 9  o 13.27000       0.8880000     276.9132      -7.7   
1 1 1 11 34 10 o 0.6917000      0.8925000     142.0638      82.3   
1 1 1 11 34 11 o 1.310000       0.9161000     159.1185      11.8   
1 1 1 11 34 12 o 13.66000       1.331000      552.6912      -115.5 
1 1 1 11 34 13 o 23.97000       1.421000      645.5319      -93.1  
1 1 1 11 34 14 o 23.29000       1.407000      768.5490      102.3  
1 1 1 11 34 15 o 2.944000       1.124000      117.1316      171.9  
1 1 1 11 34 16 o 23.92000       1.941000      668.4263      88.9   
1 1 1 11 34 17 o 8.945000       1.184000      394.2485      8.4    
1 1 1 11 34 18 o 6.822000       1.117000      375.7841      80.7   
1 1 1 11 34 19 o -1.329000      1.093000      42.84634      158.8  
1 1 1 11 34 20 o 0.3958000      0.9892000     217.7384      105.5  
1 1 1 11 34 21 o 0.2490000      0.9934000     188.7899      137.3  
1 1 1 11 34 22 o 43.16000       1.678000      1034.369      -58.2  
1 1 1 11 34 23 o 4.232000       1.018000      335.9579      49.6   
1 1 1 11 34 24 o 22.02000       1.151000      446.5919      11.7   
1 1 1 11 34 25 o 3.186000       0.9618000     392.4435      -159.5 
1 1 1 11 34 26 o 4.200000       1.003000      496.5098      166.3  
1 1 1 11 34 27 o 3.281000       1.027000      247.0186      -12.0  
1 1 1 11 34 28 o 20.29000       0.9749000     734.4576      171.8  
1 1 1 11 34 29 o 21.05000       1.091000      707.2831      -61.0  
1 1 1 11 34 30 o 3.620000       0.8887000     252.2637      48.5   
1 1 1 11 34 31 o 3.243000       0.8980000     311.4848      -125.1 
1 1 1 11 34 32 o 3.198000       1.394000      289.6932      67.7   
1 1 1 11 34 33 o 3.235000       1.210000      113.1065      -26.5  
1 1 1 11 34 34 o 15.55000       1.222000      724.4064      -97.2  
1 1 1 11 34 35 o 3.393000       0.9390000     309.9064      132.2  
1 1 1 11 34 36 o 8.603000       1.023000      484.9240      12.0   
1 1 1 11 34 37 o 17.04000       1.143000      516.5034      -66.9  
1 1 1 11 34 38 o 7.991000       1.082000      425.3776      65.3   
1 1 1 11 34 39 o 9.696000       1.118000      481.1382      -31.8  
1 1 1 11 34 40 o 24.31000       1.448000      633.8918      10.3   
1 1 1 11 34 41 o 0.3762000      1.246000      269.9892      -103.1 
1 1 1 11 34 42 o 10.65000       1.531000      560.0799      171.5  
1 1 1 11 34 43 o -2.679000      1.494000      168.5199      -122.5 
1 1 1 11 34 44 o 1.828000       1.235000      71.34337      -88.0  
1 1 1 11 34 45 o 5.166000       1.282000      329.9250      53.8   
1 1 1 11 34 46 o 17.81000       1.619000      ?             ?      
1 1 1 11 34 47 o 9.595000       1.755000      ?             ?      
1 1 1 11 34 48 o 3.181000       1.686000      ?             ?      
1 1 1 11 34 49 o 6.796000       1.310000      ?             ?      
1 1 1 11 34 50 o 2.656000       1.464000      ?             ?      
1 1 1 11 34 51 o 4.134000       1.596000      ?             ?      
1 1 1 11 34 52 o 0.8643000      1.345000      ?             ?      
1 1 1 11 34 53 o 6.732000       1.199000      ?             ?      
1 1 1 11 34 54 o 3.029000       1.180000      ?             ?      
1 1 1 11 34 55 o 2.192000       1.158000      ?             ?      
1 1 1 11 34 56 o 3.358000       1.175000      ?             ?      
1 1 1 11 34 57 o 1.483000       1.168000      ?             ?      
1 1 1 11 34 58 o 0.7521000      1.179000      ?             ?      
1 1 1 11 34 59 o 0.1509000      1.184000      ?             ?      
1 1 1 11 34 60 o -0.2755000     1.198000      ?             ?      
1 1 1 11 34 61 o 4.639000       1.310000      ?             ?      
1 1 1 11 34 62 o 1.195000       1.503000      ?             ?      
1 1 1 11 34 63 o 4.163000       1.432000      ?             ?      
1 1 1 11 34 64 o 0.5934000      1.528000      ?             ?      
1 1 1 11 34 65 o -4.520000      2.464000      ?             ?      
1 1 1 11 35 0  o 8.704000       1.106000      563.7504      -90.0  
1 1 1 11 35 1  o 24.93000       0.9725000     844.2188      -92.0  
1 1 1 11 35 2  o 4.994000       0.7632000     424.1417      -165.5 
1 1 1 11 35 3  o 12.95000       0.8255000     486.6517      62.7   
1 1 1 11 35 4  o 5.677000       0.8172000     359.0235      -7.4   
1 1 1 11 35 5  o 7.439000       0.8860000     396.7822      -21.8  
1 1 1 11 35 6  o -0.2062000     0.8235000     325.4663      -16.3  
1 1 1 11 35 7  o 5.226000       0.8071000     392.0101      75.5   
1 1 1 11 35 8  o 0.2646000E-01  0.7876000     347.7540      4.7    
1 1 1 11 35 9  o 4.989000       0.8132000     89.66991      -86.7  
1 1 1 11 35 10 o 6.165000       0.9465000     241.5475      84.1   
1 1 1 11 35 11 o 7.346000       0.9379000     465.1084      -24.5  
1 1 1 11 35 12 o 7.932000       0.8806000     221.4000      -66.9  
1 1 1 11 35 13 o 27.49000       1.323000      595.5641      -127.9 
1 1 1 11 35 14 o 22.73000       1.390000      839.5029      3.8    
1 1 1 11 35 15 o -1.170000      1.496000      201.9989      -89.2  
1 1 1 11 35 16 o 28.04000       1.941000      715.9397      89.9   
1 1 1 11 35 17 o 5.761000       1.117000      235.8513      -146.5 
1 1 1 11 35 18 o 11.50000       1.180000      349.0522      -109.6 
1 1 1 11 35 19 o 2.166000       1.089000      252.2685      178.7  
1 1 1 11 35 20 o 1.472000       1.104000      220.9155      136.1  
1 1 1 11 35 21 o 2.131000       0.9911000     323.2909      -44.8  
1 1 1 11 35 22 o 5.993000       1.030000      499.3612      140.3  
1 1 1 11 35 23 o 27.74000       1.432000      742.7346      96.8   
1 1 1 11 35 24 o 12.04000       1.055000      553.0181      75.7   
1 1 1 11 35 25 o 12.92000       1.029000      687.5117      131.9  
1 1 1 11 35 26 o 2.718000       0.9274000     163.8252      0.7    
1 1 1 11 35 27 o 7.379000       1.042000      380.6046      -12.2  
1 1 1 11 35 28 o 2.619000       0.9998000     238.1157      -34.1  
1 1 1 11 35 29 o 6.720000       0.8434000     407.9235      55.4   
1 1 1 11 35 30 o 2.598000       0.8008000     501.5651      105.4  
1 1 1 11 35 31 o 7.220000       0.9719000     555.5329      10.2   
1 1 1 11 35 32 o 1.705000       1.061000      64.37418      -149.7 
1 1 1 11 35 33 o 12.30000       1.311000      571.8212      -170.2 
1 1 1 11 35 34 o 34.45000       1.816000      685.3828      134.5  
1 1 1 11 35 35 o 2.317000       0.9319000     207.8519      -80.3  
1 1 1 11 35 36 o 2.171000       0.9641000     277.8403      146.7  
1 1 1 11 35 37 o 82.52000       2.748000      ?             ?      
1 1 1 11 35 38 o 7.042000       1.230000      257.1636      15.3   
1 1 1 11 35 39 o 5.860000       1.074000      268.4693      149.0  
1 1 1 11 35 40 o 19.85000       1.395000      613.2536      -57.2  
1 1 1 11 35 41 o 7.926000       1.594000      441.8589      -95.6  
1 1 1 11 35 42 o 15.82000       1.446000      666.7377      27.6   
1 1 1 11 35 43 o 4.809000       1.244000      313.5930      101.6  
1 1 1 11 35 44 o -0.1698000     1.247000      95.40895      15.5   
1 1 1 11 35 45 o 8.987000       1.279000      ?             ?      
1 1 1 11 35 46 o 1.242000       1.223000      ?             ?      
1 1 1 11 35 47 o 2.306000       1.432000      ?             ?      
1 1 1 11 35 48 o 8.383000       1.791000      ?             ?      
1 1 1 11 35 49 o 2.199000       1.344000      ?             ?      
1 1 1 11 35 50 o 13.62000       1.341000      ?             ?      
1 1 1 11 35 51 o 1.341000       1.323000      ?             ?      
1 1 1 11 35 52 o 6.782000       1.478000      ?             ?      
1 1 1 11 35 53 o 3.186000       1.304000      ?             ?      
1 1 1 11 35 54 o 10.18000       1.284000      ?             ?      
1 1 1 11 35 55 o 2.366000       1.223000      ?             ?      
1 1 1 11 35 56 o 6.010000       1.198000      ?             ?      
1 1 1 11 35 57 o 3.203000       1.187000      ?             ?      
1 1 1 11 35 58 o 1.767000       1.179000      ?             ?      
1 1 1 11 35 59 o 6.258000       1.230000      ?             ?      
1 1 1 11 35 60 o 1.150000       1.210000      ?             ?      
1 1 1 11 35 61 o 6.683000       1.384000      ?             ?      
1 1 1 11 35 62 o 3.247000       1.393000      ?             ?      
1 1 1 11 35 63 o 0.5295000      1.326000      ?             ?      
1 1 1 11 35 64 o 0.7219000E-02  2.145000      ?             ?      
1 1 1 11 36 0  o 53.20000       1.995000      1086.759      90.0   
1 1 1 11 36 1  o 5.446000       0.8244000     398.6883      57.4   
1 1 1 11 36 2  o 39.95000       1.285000      844.9064      -83.6  
1 1 1 11 36 3  o 8.553000       0.7884000     508.0331      168.8  
1 1 1 11 36 4  o 12.35000       0.8807000     601.2682      39.3   
1 1 1 11 36 5  o 0.4748000      0.8434000     99.05919      -98.6  
1 1 1 11 36 6  o 4.261000       0.8262000     269.1951      145.8  
1 1 1 11 36 7  o 1.953000       0.7887000     151.5473      -173.7 
1 1 1 11 36 8  o 1.952000       0.8066000     153.7408      170.0  
1 1 1 11 36 9  o 24.32000       1.065000      506.8948      91.9   
1 1 1 11 36 10 o 10.08000       0.9925000     409.1701      19.4   
1 1 1 11 36 11 o 4.620000       0.9551000     289.0876      136.2  
1 1 1 11 36 12 o 13.90000       1.266000      553.1095      74.0   
1 1 1 11 36 13 o 9.214000       1.038000      448.2279      38.0   
1 1 1 11 36 14 o 4.012000       1.104000      388.5488      39.5   
1 1 1 11 36 15 o 15.83000       1.667000      544.5247      134.5  
1 1 1 11 36 16 o 2.428000       1.111000      267.0294      -34.3  
1 1 1 11 36 17 o 8.378000       1.021000      402.0365      -95.1  
1 1 1 11 36 18 o 8.371000       1.141000      422.2418      165.2  
1 1 1 11 36 19 o 1.207000       1.089000      147.5241      17.6   
1 1 1 11 36 20 o 4.520000       1.130000      396.5283      40.7   
1 1 1 11 36 21 o 10.75000       1.173000      414.3007      -84.3  
1 1 1 11 36 22 o 0.4038000      0.9737000     94.62611      -120.0 
1 1 1 11 36 23 o 9.494000       1.064000      455.6808      164.4  
1 1 1 11 36 24 o 19.27000       1.355000      651.9206      -154.7 
1 1 1 11 36 25 o 3.826000       0.9895000     483.8180      -166.8 
1 1 1 11 36 26 o 13.83000       1.051000      561.0087      164.5  
1 1 1 11 36 27 o 6.103000       1.008000      441.2059      -172.9 
1 1 1 11 36 28 o 9.414000       1.017000      233.8812      152.9  
1 1 1 11 36 29 o 2.202000       0.9307000     166.8683      100.4  
1 1 1 11 36 30 o 3.257000       0.8391000     88.08078      119.1  
1 1 1 11 36 31 o 18.70000       1.279000      596.3446      -82.2  
1 1 1 11 36 32 o 4.246000       1.131000      403.9106      120.0  
1 1 1 11 36 33 o -0.3935000     0.9805000     96.55059      -136.8 
1 1 1 11 36 34 o 4.819000       1.207000      356.5140      -114.7 
1 1 1 11 36 35 o -0.5388000     1.033000      48.40755      77.4   
1 1 1 11 36 36 o 3.310000       1.066000      423.4112      75.7   
1 1 1 11 36 37 o -0.5606000     0.9867000     87.13885      150.5  
1 1 1 11 36 38 o 1.316000       1.167000      86.42488      72.3   
1 1 1 11 36 39 o 11.04000       1.357000      469.6230      -20.1  
1 1 1 11 36 40 o 11.17000       1.448000      404.2098      69.3   
1 1 1 11 36 41 o 7.711000       1.254000      422.1481      119.8  
1 1 1 11 36 42 o 3.850000       1.127000      228.8966      -104.5 
1 1 1 11 36 43 o 0.9090000      1.103000      140.4432      10.9   
1 1 1 11 36 44 o 33.33000       1.601000      ?             ?      
1 1 1 11 36 45 o 0.9303000E-01  1.115000      ?             ?      
1 1 1 11 36 46 o 9.263000       1.218000      ?             ?      
1 1 1 11 36 47 o 4.415000       1.460000      ?             ?      
1 1 1 11 36 48 o 1.424000       1.504000      ?             ?      
1 1 1 11 36 49 o -1.129000      1.290000      ?             ?      
1 1 1 11 36 50 o 1.917000       1.176000      ?             ?      
1 1 1 11 36 51 o 1.250000       1.274000      ?             ?      
1 1 1 11 36 52 o 0.2877000      1.503000      ?             ?      
1 1 1 11 36 53 o -0.3214000     1.513000      ?             ?      
1 1 1 11 36 54 o 0.7506000      1.185000      ?             ?      
1 1 1 11 36 55 o 3.663000       1.204000      ?             ?      
1 1 1 11 36 56 o 0.3024000E-01  1.152000      ?             ?      
1 1 1 11 36 57 o 7.745000       1.540000      ?             ?      
1 1 1 11 36 58 o 1.087000       1.244000      ?             ?      
1 1 1 11 36 59 o -0.9222000     1.253000      ?             ?      
1 1 1 11 36 60 o 0.4466000      1.307000      ?             ?      
1 1 1 11 36 61 o -2.648000      1.460000      ?             ?      
1 1 1 11 36 62 o -0.3755000E-01 1.387000      ?             ?      
1 1 1 11 36 63 o 5.915000       1.290000      ?             ?      
1 1 1 11 37 0  o -1.909000      1.028000      16.39569      -90.0  
1 1 1 11 37 1  o 3.848000       0.7455000     202.6960      109.6  
1 1 1 11 37 2  o -0.7524000     0.7521000     54.67248      -137.5 
1 1 1 11 37 3  o 18.30000       0.9556000     725.6014      79.4   
1 1 1 11 37 4  o 20.42000       1.006000      731.4092      -78.2  
1 1 1 11 37 5  o 2.707000       0.8594000     181.7151      -15.0  
1 1 1 11 37 6  o 9.336000       0.8790000     442.8043      -167.9 
1 1 1 11 37 7  o 10.53000       0.8989000     482.5468      109.6  
1 1 1 11 37 8  o 2.828000       0.7862000     117.7887      -109.1 
1 1 1 11 37 9  o 27.55000       1.072000      672.9788      -154.9 
1 1 1 11 37 10 o 1.519000       0.9528000     177.7048      0.9    
1 1 1 11 37 11 o 9.985000       1.134000      457.5023      122.3  
1 1 1 11 37 12 o 6.123000       1.195000      387.3965      -138.9 
1 1 1 11 37 13 o 3.346000       0.9852000     241.7050      -153.8 
1 1 1 11 37 14 o 9.418000       1.577000      337.6035      21.8   
1 1 1 11 37 15 o 4.845000       1.517000      420.4659      159.9  
1 1 1 11 37 16 o 12.39000       1.178000      456.1135      -154.0 
1 1 1 11 37 17 o 0.3567000      1.075000      115.1410      -34.5  
1 1 1 11 37 18 o 3.033000       1.107000      275.2920      -140.0 
1 1 1 11 37 19 o 43.11000       1.775000      701.5146      146.5  
1 1 1 11 37 20 o 5.310000       1.118000      332.6227      -8.6   
1 1 1 11 37 21 o 2.483000       1.122000      184.8642      -135.6 
1 1 1 11 37 22 o 17.94000       1.372000      503.6219      -30.7  
1 1 1 11 37 23 o 8.667000       1.049000      340.4539      12.0   
1 1 1 11 37 24 o 15.41000       1.155000      574.3749      -161.5 
1 1 1 11 37 25 o 11.20000       1.082000      364.1856      -70.0  
1 1 1 11 37 26 o 16.32000       1.360000      479.9003      -54.8  
1 1 1 11 37 27 o 0.6321000      0.9394000     313.5981      160.7  
1 1 1 11 37 28 o 1.064000       0.9267000     106.2704      -129.2 
1 1 1 11 37 29 o 3.908000       1.086000      395.7461      109.0  
1 1 1 11 37 30 o 4.074000       1.093000      248.3863      -0.6   
1 1 1 11 37 31 o 0.8889000      0.8812000     145.5475      19.3   
1 1 1 11 37 32 o 11.22000       0.9992000     668.9372      168.2  
1 1 1 11 37 33 o 5.880000       1.132000      441.4053      162.9  
1 1 1 11 37 34 o 7.741000       1.179000      382.0480      144.9  
1 1 1 11 37 35 o 1.977000       1.209000      79.89221      -126.8 
1 1 1 11 37 36 o 13.74000       1.742000      488.3842      19.3   
1 1 1 11 37 37 o 0.3076000E-01  1.083000      180.0412      78.4   
1 1 1 11 37 38 o 0.9376000      0.9523000     178.6939      159.5  
1 1 1 11 37 39 o 0.1535000E-02  1.180000      196.1947      92.8   
1 1 1 11 37 40 o 5.448000       1.079000      379.1630      -119.0 
1 1 1 11 37 41 o 1.281000       1.068000      106.4812      37.2   
1 1 1 11 37 42 o 2.574000       1.081000      216.5907      33.8   
1 1 1 11 37 43 o 5.322000       1.108000      ?             ?      
1 1 1 11 37 44 o 4.199000       1.117000      ?             ?      
1 1 1 11 37 45 o 1.063000       1.134000      ?             ?      
1 1 1 11 37 46 o 4.490000       1.222000      ?             ?      
1 1 1 11 37 47 o -0.8368000     1.257000      ?             ?      
1 1 1 11 37 48 o 2.934000       1.312000      ?             ?      
1 1 1 11 37 49 o -3.014000      1.701000      ?             ?      
1 1 1 11 37 50 o 1.700000       1.199000      ?             ?      
1 1 1 11 37 51 o 1.074000       1.157000      ?             ?      
1 1 1 11 37 52 o 6.221000       1.474000      ?             ?      
1 1 1 11 37 53 o 0.3028000      1.543000      ?             ?      
1 1 1 11 37 54 o 3.318000       1.297000      ?             ?      
1 1 1 11 37 55 o -0.7112000     1.168000      ?             ?      
1 1 1 11 37 56 o 3.695000       1.264000      ?             ?      
1 1 1 11 37 57 o 0.6373000      1.249000      ?             ?      
1 1 1 11 37 58 o 0.8921000      1.219000      ?             ?      
1 1 1 11 37 59 o 3.726000       1.208000      ?             ?      
1 1 1 11 37 60 o 0.5370000E-01  1.339000      ?             ?      
1 1 1 11 37 61 o 0.7781000      1.483000      ?             ?      
1 1 1 11 37 62 o -0.4407000E-01 1.372000      ?             ?      
1 1 1 11 38 0  o 8.686000       1.085000      359.7883      90.0   
1 1 1 11 38 1  o 5.902000       0.7667000     228.1895      -132.8 
1 1 1 11 38 2  o 5.658000       0.7801000     323.7535      -175.4 
1 1 1 11 38 3  o 2.232000       0.7666000     294.3539      169.5  
1 1 1 11 38 4  o 15.65000       0.9445000     570.5515      -71.1  
1 1 1 11 38 5  o 22.41000       1.031000      578.4747      -7.3   
1 1 1 11 38 6  f 8.203000       0.9221000     313.6854      151.5  
1 1 1 11 38 7  o 1.368000       0.8298000     100.9622      -96.4  
1 1 1 11 38 8  o 0.2763000      0.7659000     141.2584      110.3  
1 1 1 11 38 9  o -2.108000      0.7856000     43.16505      -61.9  
1 1 1 11 38 10 o 1.199000       1.098000      220.3367      9.7    
1 1 1 11 38 11 o 0.6649000      1.109000      182.4061      -173.5 
1 1 1 11 38 12 o 20.89000       1.187000      704.8671      -6.3   
1 1 1 11 38 13 o 1.095000       0.9556000     218.1476      27.4   
1 1 1 11 38 14 o 10.83000       1.654000      481.3597      -99.5  
1 1 1 11 38 15 o 1.613000       1.520000      129.1607      2.5    
1 1 1 11 38 16 o 1.112000       1.085000      72.63775      -53.7  
1 1 1 11 38 17 o 5.587000       1.122000      300.1808      -31.2  
1 1 1 11 38 18 o -0.9907000     1.092000      59.35033      -88.5  
1 1 1 11 38 19 o 1.227000       1.097000      147.6823      23.0   
1 1 1 11 38 20 o 10.91000       1.236000      544.3635      58.1   
1 1 1 11 38 21 o 8.863000       1.245000      406.2269      41.5   
1 1 1 11 38 22 o 1.256000       1.045000      208.1013      -96.5  
1 1 1 11 38 23 o 9.612000       1.259000      437.7326      21.2   
1 1 1 11 38 24 o 3.945000       1.045000      333.4202      -68.2  
1 1 1 11 38 25 o 4.622000       1.076000      314.9456      140.6  
1 1 1 11 38 26 o 1.957000       1.002000      302.8667      152.3  
1 1 1 11 38 27 o 1.567000       1.012000      108.7060      -34.3  
1 1 1 11 38 28 o 2.023000       0.9756000     192.5705      -130.1 
1 1 1 11 38 29 o 1.715000       1.090000      159.6098      52.5   
1 1 1 11 38 30 o 6.527000       1.110000      352.6857      -32.5  
1 1 1 11 38 31 o 0.9961000      1.202000      209.0077      -163.6 
1 1 1 11 38 32 o 1.254000       1.252000      247.6296      -138.6 
1 1 1 11 38 33 o 2.514000       1.077000      265.1071      -55.7  
1 1 1 11 38 34 o -0.1862000     1.109000      122.3638      105.0  
1 1 1 11 38 35 o 0.2906000      1.136000      202.2452      -177.8 
1 1 1 11 38 36 o 1.097000       1.594000      253.2443      116.6  
1 1 1 11 38 37 o -0.4503000     1.598000      54.53310      -49.4  
1 1 1 11 38 38 o 7.347000       1.056000      289.8639      7.8    
1 1 1 11 38 39 o -0.7395000E-01 0.9668000     111.7025      85.8   
1 1 1 11 38 40 o 2.893000       1.056000      219.9129      111.7  
1 1 1 11 38 41 o 2.864000       1.065000      161.8785      159.4  
1 1 1 11 38 42 o -1.688000      1.054000      ?             ?      
1 1 1 11 38 43 o 1.084000       1.072000      ?             ?      
1 1 1 11 38 44 o 4.503000       1.081000      ?             ?      
1 1 1 11 38 45 o 0.2923000      1.095000      ?             ?      
1 1 1 11 38 46 o 0.3595000      1.211000      ?             ?      
1 1 1 11 38 47 o -0.9663000E-01 1.102000      ?             ?      
1 1 1 11 38 48 o -0.2132000     1.064000      ?             ?      
1 1 1 11 38 49 o -0.8962000     1.206000      ?             ?      
1 1 1 11 38 50 o 0.3565000      1.839000      ?             ?      
1 1 1 11 38 51 o 0.7301000      1.194000      ?             ?      
1 1 1 11 38 52 o 0.6666000      1.090000      ?             ?      
1 1 1 11 38 53 o 1.132000       1.248000      ?             ?      
1 1 1 11 38 54 o -0.2568000     1.404000      ?             ?      
1 1 1 11 38 55 o -0.7272000     1.344000      ?             ?      
1 1 1 11 38 56 o -0.1239000     1.206000      ?             ?      
1 1 1 11 38 57 o 0.2589000E-01  1.150000      ?             ?      
1 1 1 11 38 58 o 1.782000       1.217000      ?             ?      
1 1 1 11 38 59 o -0.7269000     1.306000      ?             ?      
1 1 1 11 38 60 o 1.590000       1.958000      ?             ?      
1 1 1 11 38 61 o 4.848000       1.340000      ?             ?      
1 1 1 11 38 62 o -1.243000      4.445000      ?             ?      
1 1 1 11 39 0  o 0.7878000      1.042000      54.79535      -90.0  
1 1 1 11 39 1  o 16.00000       0.8824000     458.8172      -38.8  
1 1 1 11 39 2  o 2.961000       0.7764000     277.8642      -1.3   
1 1 1 11 39 3  o 7.730000       0.8135000     398.3893      60.4   
1 1 1 11 39 4  o 2.643000       0.7697000     230.2594      -125.5 
1 1 1 11 39 5  o 0.7548000E-01  0.8154000     170.5784      78.1   
1 1 1 11 39 6  o 1.609000       0.8745000     200.4827      138.8  
1 1 1 11 39 7  o 2.076000       0.8263000     204.6785      -64.0  
1 1 1 11 39 8  o 1.792000       0.7794000     156.8029      -88.8  
1 1 1 11 39 9  o 1.355000       0.9467000     181.6124      -149.2 
1 1 1 11 39 10 o 27.38000       1.268000      530.4685      -28.6  
1 1 1 11 39 11 o 22.50000       1.294000      421.0175      155.5  
1 1 1 11 39 12 o 12.46000       1.225000      269.9894      -49.2  
1 1 1 11 39 13 o 6.580000       1.156000      262.2065      47.5   
1 1 1 11 39 14 o 8.369000       1.579000      250.2015      -154.1 
1 1 1 11 39 15 o 3.045000       1.093000      227.7471      166.6  
1 1 1 11 39 16 o 0.5412000      1.090000      117.1740      5.5    
1 1 1 11 39 17 o 4.410000       1.123000      170.0689      -107.6 
1 1 1 11 39 18 o 3.376000       1.132000      299.5274      177.5  
1 1 1 11 39 19 o 5.769000       1.167000      291.6222      66.2   
1 1 1 11 39 20 o 2.486000       1.143000      245.1999      144.3  
1 1 1 11 39 21 o 1.493000       1.139000      67.76620      79.9   
1 1 1 11 39 22 o 1.417000       1.166000      177.7329      122.0  
1 1 1 11 39 23 o 0.2160000      1.203000      159.8700      -95.0  
1 1 1 11 39 24 o 2.559000       1.230000      165.7630      44.8   
1 1 1 11 39 25 o 0.5049000      1.068000      105.7317      -78.2  
1 1 1 11 39 26 o 8.926000       1.132000      285.1494      175.0  
1 1 1 11 39 27 o 2.075000       1.105000      220.3489      141.9  
1 1 1 11 39 28 o 4.123000       1.212000      336.4623      -33.0  
1 1 1 11 39 29 o 0.1782000      1.153000      108.6272      7.5    
1 1 1 11 39 30 o 1.309000       1.112000      194.1308      -157.4 
1 1 1 11 39 31 o 16.65000       1.726000      524.0428      102.6  
1 1 1 11 39 32 o -1.249000      1.132000      79.71761      -75.5  
1 1 1 11 39 33 o 1.453000       1.118000      5.580613      172.7  
1 1 1 11 39 34 o 1.567000       0.8786000     135.4268      -8.2   
1 1 1 11 39 35 o 0.2531000      0.9679000     112.9148      -126.6 
1 1 1 11 39 36 o 1.165000       1.010000      158.9448      -131.6 
1 1 1 11 39 37 o 6.942000       1.283000      347.0506      87.5   
1 1 1 11 39 38 o 6.676000       1.229000      324.0709      2.8    
1 1 1 11 39 39 o 0.5057000      1.014000      139.2310      -168.8 
1 1 1 11 39 40 o 6.964000       1.008000      360.1899      -136.2 
1 1 1 11 39 41 o 0.2259000      1.036000      ?             ?      
1 1 1 11 39 42 o 3.282000       1.061000      ?             ?      
1 1 1 11 39 43 o 4.514000       1.072000      ?             ?      
1 1 1 11 39 44 o 0.7017000      1.081000      ?             ?      
1 1 1 11 39 45 o 4.889000       1.244000      ?             ?      
1 1 1 11 39 46 o 1.427000       1.217000      ?             ?      
1 1 1 11 39 47 o 0.5695000      1.073000      ?             ?      
1 1 1 11 39 48 o 4.498000       1.073000      ?             ?      
1 1 1 11 39 49 o 3.751000       1.211000      ?             ?      
1 1 1 11 39 50 o -0.6882000E-01 1.298000      ?             ?      
1 1 1 11 39 51 o 9.018000       1.273000      ?             ?      
1 1 1 11 39 52 o 2.510000       1.103000      ?             ?      
1 1 1 11 39 53 o -2.287000      1.068000      ?             ?      
1 1 1 11 39 54 o 1.617000       1.259000      ?             ?      
1 1 1 11 39 55 o -1.275000      1.394000      ?             ?      
1 1 1 11 39 56 o -1.729000      1.287000      ?             ?      
1 1 1 11 39 57 o 1.984000       1.172000      ?             ?      
1 1 1 11 39 58 o 0.2504000      1.291000      ?             ?      
1 1 1 11 39 59 o 0.4958000      1.711000      ?             ?      
1 1 1 11 39 60 o 3.178000       1.357000      ?             ?      
1 1 1 11 39 61 o 1.118000       1.230000      ?             ?      
1 1 1 11 40 0  o 7.324000       1.126000      320.8932      90.0   
1 1 1 11 40 1  o 1.162000       0.7697000     132.9957      -50.5  
1 1 1 11 40 2  o 8.335000       0.8268000     295.3408      162.3  
1 1 1 11 40 3  o 5.550000       0.8108000     267.6113      -121.2 
1 1 1 11 40 4  o 1.688000       0.7705000     56.97644      8.1    
1 1 1 11 40 5  o 2.334000       0.8320000     50.61837      46.4   
1 1 1 11 40 6  o -1.923000      0.8698000     121.0666      108.7  
1 1 1 11 40 7  o 0.3776000      0.8271000     20.91239      -176.6 
1 1 1 11 40 8  o 1.920000       0.7801000     144.3029      -48.2  
1 1 1 11 40 9  o 6.052000       1.056000      286.4129      3.9    
1 1 1 11 40 10 o 5.059000       0.9220000     288.3802      -64.5  
1 1 1 11 40 11 o 5.318000       1.014000      254.0493      64.4   
1 1 1 11 40 12 o -1.659000      0.9021000     60.03747      163.8  
1 1 1 11 40 13 o -1.019000      1.038000      168.4775      -65.6  
1 1 1 11 40 14 o -1.336000      1.520000      71.64807      28.6   
1 1 1 11 40 15 o 2.588000       1.104000      232.8086      -3.1   
1 1 1 11 40 16 o 3.424000       1.111000      242.7482      -4.4   
1 1 1 11 40 17 o 2.122000       1.121000      118.6301      -29.5  
1 1 1 11 40 18 o 1.541000       1.129000      58.87814      -86.6  
1 1 1 11 40 19 o -0.2853000     1.147000      110.1924      47.1   
1 1 1 11 40 20 o 8.393000       1.233000      441.6383      101.3  
1 1 1 11 40 21 o 3.039000       1.185000      216.4244      -144.3 
1 1 1 11 40 22 o -0.2119000     1.179000      31.51483      -64.4  
1 1 1 11 40 23 o 3.801000       1.217000      161.0863      44.6   
1 1 1 11 40 24 o 6.101000       1.258000      171.7929      16.3   
1 1 1 11 40 25 o 1.880000       1.287000      134.6859      161.4  
1 1 1 11 40 26 o 4.726000       1.321000      216.9790      -102.8 
1 1 1 11 40 27 o -1.535000      1.116000      148.3755      77.3   
1 1 1 11 40 28 o 9.036000       1.784000      326.0023      -61.7  
1 1 1 11 40 29 o 1.075000       1.979000      163.7426      68.6   
1 1 1 11 40 30 o 0.4260000      1.298000      101.7638      157.2  
1 1 1 11 40 31 o -0.4198000     3.974000      98.60830      -6.1   
1 1 1 11 40 32 o 6.957000       1.514000      237.4620      172.9  
1 1 1 11 40 33 o 4.075000       1.110000      117.6838      0.9    
1 1 1 11 40 34 o 0.6658000E-01  1.089000      61.20038      48.8   
1 1 1 11 40 35 o 0.6492000      0.8412000     94.53957      -137.7 
1 1 1 11 40 36 o 0.7301000      0.9962000     16.17024      -30.8  
1 1 1 11 40 37 o 6.710000       1.068000      283.7431      53.9   
1 1 1 11 40 38 o -2.534000      1.219000      162.5200      113.9  
1 1 1 11 40 39 o 6.069000       1.196000      208.2766      -28.4  
1 1 1 11 40 40 o 2.226000       1.014000      ?             ?      
1 1 1 11 40 41 o 1.978000       0.9496000     ?             ?      
1 1 1 11 40 42 o 0.3580000E-01  0.9459000     ?             ?      
1 1 1 11 40 43 o 7.881000       1.093000      ?             ?      
1 1 1 11 40 44 o 2.476000       1.098000      ?             ?      
1 1 1 11 40 45 o 0.7458000      1.172000      ?             ?      
1 1 1 11 40 46 o -1.435000      1.055000      ?             ?      
1 1 1 11 40 47 o 0.3025000      1.017000      ?             ?      
1 1 1 11 40 48 o 2.648000       1.043000      ?             ?      
1 1 1 11 40 49 o 0.1465000      1.035000      ?             ?      
1 1 1 11 40 50 o 1.322000       1.196000      ?             ?      
1 1 1 11 40 51 o -1.052000      1.291000      ?             ?      
1 1 1 11 40 52 o 1.278000       1.183000      ?             ?      
1 1 1 11 40 53 o -0.3057000     1.069000      ?             ?      
1 1 1 11 40 54 o 1.201000       1.254000      ?             ?      
1 1 1 11 40 55 o 1.580000       1.250000      ?             ?      
1 1 1 11 40 56 o 1.324000       1.433000      ?             ?      
1 1 1 11 40 57 o 1.143000       1.177000      ?             ?      
1 1 1 11 40 58 o 1.048000       1.280000      ?             ?      
1 1 1 11 40 59 o -0.2579000     1.405000      ?             ?      
1 1 1 11 40 60 o 0.8400000E-01  1.736000      ?             ?      
1 1 1 11 41 0  o 0.9098000      1.085000      56.25270      90.0   
1 1 1 11 41 1  o 4.471000       0.7899000     234.7791      -30.2  
1 1 1 11 41 2  o 0.4722000      0.7900000     42.42635      -29.9  
1 1 1 11 41 3  o -0.1536000     0.7828000     26.90338      -72.7  
1 1 1 11 41 4  o 0.9691000      0.7820000     136.4032      82.8   
1 1 1 11 41 5  o 9.472000       0.9040000     265.6704      90.2   
1 1 1 11 41 6  o 3.720000       0.9179000     136.9055      -90.2  
1 1 1 11 41 7  o 0.5675000      0.8525000     96.00041      37.0   
1 1 1 11 41 8  o 1.817000       0.7761000     139.9648      -58.4  
1 1 1 11 41 9  o -1.336000      0.8073000     36.01591      -124.2 
1 1 1 11 41 10 o 3.240000       0.8902000     186.9718      -84.3  
1 1 1 11 41 11 o 1.708000       1.006000      105.0616      58.7   
1 1 1 11 41 12 o 2.925000       1.099000      126.4299      -115.0 
1 1 1 11 41 13 o -1.060000      1.027000      86.31242      -115.0 
1 1 1 11 41 14 o 2.651000       1.122000      99.35278      115.7  
1 1 1 11 41 15 o 0.5461000      1.106000      52.96164      105.1  
1 1 1 11 41 16 o -0.9259000     1.111000      111.7716      120.0  
1 1 1 11 41 17 o 0.4748000      1.110000      47.99499      -139.0 
1 1 1 11 41 18 o 2.728000       1.149000      202.0781      121.6  
1 1 1 11 41 19 o 4.803000       1.194000      7.871037      90.9   
1 1 1 11 41 20 o 0.6753000      1.157000      45.17678      -126.9 
1 1 1 11 41 21 o 1.534000       1.178000      32.95150      -118.3 
1 1 1 11 41 22 o 2.542000       1.190000      174.6034      -138.2 
1 1 1 11 41 23 o 1.038000       1.234000      120.1384      11.2   
1 1 1 11 41 24 o 1.801000       1.366000      162.7734      99.2   
1 1 1 11 41 25 o -0.9517000     1.288000      152.8752      122.2  
1 1 1 11 41 26 o 2.755000       1.702000      80.54327      86.9   
1 1 1 11 41 27 o 0.9521000      1.754000      118.7567      -90.0  
1 1 1 11 41 28 o 4.260000       1.891000      243.6979      -42.7  
1 1 1 11 41 29 o 5.239000       2.128000      166.2895      93.8   
1 1 1 11 41 30 o 10.13000       1.444000      376.1527      177.8  
1 1 1 11 41 31 o -0.5860000E-01 1.093000      18.16936      128.8  
1 1 1 11 41 32 o 1.176000       1.071000      160.7384      25.5   
1 1 1 11 41 33 o 1.933000       1.092000      220.1482      -18.1  
1 1 1 11 41 34 o 0.1175000      1.114000      79.28004      -129.0 
1 1 1 11 41 35 o 2.098000       1.131000      299.2253      -169.5 
1 1 1 11 41 36 o 2.939000       1.160000      113.6656      -29.5  
1 1 1 11 41 37 o 1.678000       0.9905000     146.0711      12.1   
1 1 1 11 41 38 o 2.852000       1.011000      ?             ?      
1 1 1 11 41 39 o 0.5959000      1.219000      ?             ?      
1 1 1 11 41 40 o -0.2779000     1.149000      ?             ?      
1 1 1 11 41 41 o -0.2807000     0.9651000     ?             ?      
1 1 1 11 41 42 o 2.895000       0.9437000     ?             ?      
1 1 1 11 41 43 o -0.4286000E-01 0.9657000     ?             ?      
1 1 1 11 41 44 o 1.879000       1.164000      ?             ?      
1 1 1 11 41 45 o 4.007000       1.121000      ?             ?      
1 1 1 11 41 46 o -0.7056000     1.044000      ?             ?      
1 1 1 11 41 47 o -2.244000      1.006000      ?             ?      
1 1 1 11 41 48 o 0.5585000      1.032000      ?             ?      
1 1 1 11 41 49 o 0.4857000      1.024000      ?             ?      
1 1 1 11 41 50 o 0.1058000      1.028000      ?             ?      
1 1 1 11 41 51 o 0.6769000      1.179000      ?             ?      
1 1 1 11 41 52 o 0.8858000      1.292000      ?             ?      
1 1 1 11 41 53 o -1.094000      1.191000      ?             ?      
1 1 1 11 41 54 o -0.8507000     1.100000      ?             ?      
1 1 1 11 41 55 o 1.343000       1.277000      ?             ?      
1 1 1 11 41 56 o 1.512000       1.299000      ?             ?      
1 1 1 11 41 57 o -2.079000      1.520000      ?             ?      
1 1 1 11 41 58 o 1.022000       1.378000      ?             ?      
1 1 1 11 41 59 o 0.2769000E-02  1.676000      ?             ?      
1 1 1 11 42 0  o -2.588000      1.078000      0.8013781     90.0   
1 1 1 11 42 1  o 0.7001000      0.7727000     46.50408      20.2   
1 1 1 11 42 2  o 1.067000       0.8036000     23.49444      -63.4  
1 1 1 11 42 3  o 3.904000       0.8184000     149.7811      82.7   
1 1 1 11 42 4  o 8.275000       0.8503000     207.7893      114.8  
1 1 1 11 42 5  o 3.310000       0.8682000     189.2469      -113.5 
1 1 1 11 42 6  o 2.441000       0.9213000     159.2186      153.1  
1 1 1 11 42 7  o 1.798000       0.8609000     83.54594      70.3   
1 1 1 11 42 8  o 0.9902000      0.8205000     114.3363      -21.5  
1 1 1 11 42 9  o 9.925000       1.073000      197.3952      3.8    
1 1 1 11 42 10 o 3.442000       0.8721000     161.3941      -141.9 
1 1 1 11 42 11 o 0.3792000      0.9710000     75.40719      -0.2   
1 1 1 11 42 12 o 1.601000       1.084000      26.41502      -76.6  
1 1 1 11 42 13 o 1.687000       0.7625000     64.90423      -64.4  
1 1 1 11 42 14 o 2.939000       1.140000      95.19542      -120.7 
1 1 1 11 42 15 o 0.5742000      1.160000      64.38680      4.6    
1 1 1 11 42 16 o 0.2874000      1.149000      38.26118      -76.6  
1 1 1 11 42 17 o -0.9501000     1.153000      61.78460      169.2  
1 1 1 11 42 18 o 7.571000       1.240000      89.48817      -176.1 
1 1 1 11 42 19 o -0.5221000     1.180000      96.77541      -119.4 
1 1 1 11 42 20 o -0.6783000     1.154000      70.37923      -172.9 
1 1 1 11 42 21 o 3.467000       1.199000      96.77599      -145.4 
1 1 1 11 42 22 o 2.425000       1.195000      111.9826      -22.2  
1 1 1 11 42 23 o 4.816000       1.436000      63.80496      165.3  
1 1 1 11 42 24 o 0.2899000      1.652000      84.89101      143.7  
1 1 1 11 42 25 o 1.643000       1.319000      123.4937      153.7  
1 1 1 11 42 26 o 4.045000       1.364000      71.39297      -106.1 
1 1 1 11 42 27 o 2.092000       1.761000      39.16317      130.7  
1 1 1 11 42 28 o 1.225000       1.474000      13.39610      60.6   
1 1 1 11 42 29 o 1.683000       1.319000      76.00990      2.4    
1 1 1 11 42 30 o 1.366000       1.325000      112.9290      -126.3 
1 1 1 11 42 31 o 2.171000       1.138000      34.87583      -23.8  
1 1 1 11 42 32 o -1.106000      1.095000      98.34036      162.0  
1 1 1 11 42 33 o 0.5655000      1.084000      45.32584      -143.4 
1 1 1 11 42 34 o 1.209000       1.092000      96.84109      46.6   
1 1 1 11 42 35 o 2.143000       1.121000      97.29317      8.8    
1 1 1 11 42 36 o 2.809000       1.113000      57.91722      -173.0 
1 1 1 11 42 37 o -1.553000      1.122000      ?             ?      
1 1 1 11 42 38 o -0.3007000     0.8285000     ?             ?      
1 1 1 11 42 39 o 1.913000       0.9666000     ?             ?      
1 1 1 11 42 40 o 2.440000       1.194000      ?             ?      
1 1 1 11 42 41 o 0.4566000      1.304000      ?             ?      
1 1 1 11 42 42 o 2.729000       0.9777000     ?             ?      
1 1 1 11 42 43 o 1.405000       0.9592000     ?             ?      
1 1 1 11 42 44 o 1.038000       1.007000      ?             ?      
1 1 1 11 42 45 o 0.6253000      0.9352000     ?             ?      
1 1 1 11 42 46 o 2.499000       1.020000      ?             ?      
1 1 1 11 42 47 o 0.5435000      1.013000      ?             ?      
1 1 1 11 42 48 o -1.392000      1.011000      ?             ?      
1 1 1 11 42 49 o -1.035000      1.005000      ?             ?      
1 1 1 11 42 50 o -0.2192000     1.028000      ?             ?      
1 1 1 11 42 51 o 0.2442000      1.028000      ?             ?      
1 1 1 11 42 52 o 2.664000       1.313000      ?             ?      
1 1 1 11 42 53 o 0.6283000      1.310000      ?             ?      
1 1 1 11 42 54 o -0.7310000     1.214000      ?             ?      
1 1 1 11 42 55 o 1.749000       1.126000      ?             ?      
1 1 1 11 42 56 o 3.109000       1.296000      ?             ?      
1 1 1 11 42 57 o 0.9723000      1.634000      ?             ?      
1 1 1 11 42 58 o -2.937000      1.989000      ?             ?      
1 1 1 11 43 0  o 2.347000       1.116000      120.2840      90.0   
1 1 1 11 43 1  o -0.5129000     0.7810000     36.24795      40.4   
1 1 1 11 43 2  o 0.7600000      0.8261000     120.4504      117.2  
1 1 1 11 43 3  o 3.597000       0.8349000     169.5717      -156.4 
1 1 1 11 43 4  o -0.2915000     0.8024000     84.45848      173.7  
1 1 1 11 43 5  o -1.451000      0.8512000     71.21922      92.0   
1 1 1 11 43 6  o 2.131000       0.8822000     51.66828      52.6   
1 1 1 11 43 7  o 2.626000       0.9535000     101.4812      -125.9 
1 1 1 11 43 8  o 2.283000       0.9350000     76.24439      -21.1  
1 1 1 11 43 9  o 0.1571000      0.8086000     72.23730      145.4  
1 1 1 11 43 10 o -2.236000      0.9123000     67.30624      169.2  
1 1 1 11 43 11 o -0.5657000     0.9192000     19.53319      120.6  
1 1 1 11 43 12 o 1.683000       1.085000      96.36256      147.8  
1 1 1 11 43 13 o 0.2371000      0.9033000     75.98339      -39.1  
1 1 1 11 43 14 o 2.994000       1.160000      175.4140      -24.8  
1 1 1 11 43 15 o 1.553000       1.182000      71.05627      -5.2   
1 1 1 11 43 16 o 8.143000       1.318000      23.98571      40.6   
1 1 1 11 43 17 o 5.797000       1.246000      236.7753      -24.3  
1 1 1 11 43 18 o -0.2914000     1.221000      20.61689      -2.7   
1 1 1 11 43 19 o 4.521000       1.223000      87.35699      98.5   
1 1 1 11 43 20 o -1.090000      1.297000      181.2343      -95.2  
1 1 1 11 43 21 o 0.3547000      1.396000      49.83222      -163.7 
1 1 1 11 43 22 o 2.680000       1.611000      59.74007      -129.7 
1 1 1 11 43 23 o 7.673000       1.332000      162.1499      -37.9  
1 1 1 11 43 24 o 1.894000       1.334000      39.66304      -177.2 
1 1 1 11 43 25 o 0.2775000      1.356000      22.30595      -26.5  
1 1 1 11 43 26 o 3.026000       1.940000      93.44094      153.6  
1 1 1 11 43 27 o 0.8939000      2.128000      110.6893      -78.5  
1 1 1 11 43 28 o -2.506000      4.038000      121.4156      -135.3 
1 1 1 11 43 29 o 0.4827000      2.051000      59.66715      -120.5 
1 1 1 11 43 30 o 2.570000       1.518000      84.79179      6.3    
1 1 1 11 43 31 o 2.150000       1.145000      65.25049      -133.0 
1 1 1 11 43 32 o 0.1851000      1.226000      67.33467      66.8   
1 1 1 11 43 33 o 1.505000       1.117000      115.9930      34.0   
1 1 1 11 43 34 o 7.126000       1.236000      193.8654      -133.2 
1 1 1 11 43 35 o -0.5368000     1.071000      ?             ?      
1 1 1 11 43 36 o -0.6968000     1.072000      ?             ?      
1 1 1 11 43 37 o 1.337000       1.080000      ?             ?      
1 1 1 11 43 38 o 0.9343000      1.114000      ?             ?      
1 1 1 11 43 39 o 0.7995000      0.8109000     ?             ?      
1 1 1 11 43 40 o 2.211000       0.9400000     ?             ?      
1 1 1 11 43 41 o -0.5796000     0.9387000     ?             ?      
1 1 1 11 43 42 o 0.8544000      1.337000      ?             ?      
1 1 1 11 43 43 o 2.132000       1.281000      ?             ?      
1 1 1 11 43 44 o 0.8386000      0.9523000     ?             ?      
1 1 1 11 43 45 o -0.4916000     0.9119000     ?             ?      
1 1 1 11 43 46 o 0.8488000      0.9112000     ?             ?      
1 1 1 11 43 47 o -1.061000      0.9687000     ?             ?      
1 1 1 11 43 48 o 0.6851000      0.9947000     ?             ?      
1 1 1 11 43 49 o 0.9715000      1.013000      ?             ?      
1 1 1 11 43 50 o 0.7302000      1.037000      ?             ?      
1 1 1 11 43 51 o 0.3248000      1.051000      ?             ?      
1 1 1 11 43 52 o -0.5655000     1.174000      ?             ?      
1 1 1 11 43 53 o 4.165000       1.343000      ?             ?      
1 1 1 11 43 54 o -0.5772000     1.228000      ?             ?      
1 1 1 11 43 55 o 1.317000       1.465000      ?             ?      
1 1 1 11 43 56 o 1.232000       1.303000      ?             ?      
1 1 1 11 43 57 o -2.072000      1.821000      ?             ?      
1 1 1 11 44 0  o -0.2198000     1.150000      97.40819      90.0   
1 1 1 11 44 1  o 1.141000       0.8213000     104.7420      -175.8 
1 1 1 11 44 2  o 1.830000       0.8544000     91.21577      87.6   
1 1 1 11 44 3  o 2.943000       0.8561000     174.6634      -106.6 
1 1 1 11 44 4  o 1.974000       0.8409000     197.1295      -90.7  
1 1 1 11 44 5  o 0.3110000      0.8171000     52.27732      -32.0  
1 1 1 11 44 6  o 3.009000       0.8988000     193.5827      136.8  
1 1 1 11 44 7  o 2.230000       1.046000      180.7451      -94.7  
1 1 1 11 44 8  o 0.1773000      0.9755000     163.1141      -154.6 
1 1 1 11 44 9  o 0.4730000      0.7792000     31.37513      -128.3 
1 1 1 11 44 10 o 2.270000       0.7848000     42.31771      174.3  
1 1 1 11 44 11 o -0.8110000     1.079000      107.8710      -86.8  
1 1 1 11 44 12 o 1.287000       1.128000      45.22049      82.8   
1 1 1 11 44 13 o 8.355000       1.328000      174.8404      104.5  
1 1 1 11 44 14 o 3.583000       1.211000      174.2555      133.6  
1 1 1 11 44 15 o 7.307000       1.267000      229.5009      56.5   
1 1 1 11 44 16 o 1.620000       1.243000      175.9714      87.7   
1 1 1 11 44 17 o -0.6308000     1.227000      46.18082      85.5   
1 1 1 11 44 18 o 4.192000       1.636000      149.6410      -66.3  
1 1 1 11 44 19 o -0.5208000     1.615000      79.25306      -150.4 
1 1 1 11 44 20 o 2.929000       1.427000      145.0939      -132.4 
1 1 1 11 44 21 o -0.9747000     1.346000      72.14707      11.7   
1 1 1 11 44 22 o 0.1338000      1.378000      37.68960      49.0   
1 1 1 11 44 23 o 1.780000       1.434000      147.4921      133.4  
1 1 1 11 44 24 o 5.380000       1.499000      110.0326      156.7  
1 1 1 11 44 25 o -2.075000      1.872000      21.67280      -7.8   
1 1 1 11 44 26 o 0.4801000      1.951000      183.6801      48.2   
1 1 1 11 44 27 o 3.347000       1.601000      194.0906      -140.5 
1 1 1 11 44 28 o 5.649000       2.189000      162.3346      18.0   
1 1 1 11 44 29 o 7.046000       2.554000      87.41484      -82.3  
1 1 1 11 44 30 o 3.825000       1.978000      54.81426      -2.5   
1 1 1 11 44 31 o 2.159000       1.966000      103.6973      174.1  
1 1 1 11 44 32 o 0.4210000      1.124000      61.20389      150.4  
1 1 1 11 44 33 o 0.9021000      1.139000      ?             ?      
1 1 1 11 44 34 o 1.130000       1.100000      ?             ?      
1 1 1 11 44 35 o 2.193000       1.065000      ?             ?      
1 1 1 11 44 36 o 0.3207000      1.036000      ?             ?      
1 1 1 11 44 37 o 0.5093000      1.038000      ?             ?      
1 1 1 11 44 38 o 8.001000       1.175000      ?             ?      
1 1 1 11 44 39 o -1.389000      1.059000      ?             ?      
1 1 1 11 44 40 o 1.492000       1.098000      ?             ?      
1 1 1 11 44 41 o -0.6621000     0.9098000     ?             ?      
1 1 1 11 44 42 o 0.7134000      0.9961000     ?             ?      
1 1 1 11 44 43 o 1.200000       1.357000      ?             ?      
1 1 1 11 44 44 o 2.495000       1.204000      ?             ?      
1 1 1 11 44 45 o 0.4442000      0.9466000     ?             ?      
1 1 1 11 44 46 o 0.9675000      0.8872000     ?             ?      
1 1 1 11 44 47 o 0.3590000      0.8983000     ?             ?      
1 1 1 11 44 48 o -0.6368000     0.9034000     ?             ?      
1 1 1 11 44 49 o 1.037000       0.9989000     ?             ?      
1 1 1 11 44 50 o 0.2895000      1.021000      ?             ?      
1 1 1 11 44 51 o -1.672000      1.188000      ?             ?      
1 1 1 11 44 52 o 0.7366000E-01  1.247000      ?             ?      
1 1 1 11 44 53 o 1.446000       1.377000      ?             ?      
1 1 1 11 44 54 o 0.5289000      1.628000      ?             ?      
1 1 1 11 44 55 o -0.1403000     1.438000      ?             ?      
1 1 1 11 44 56 o -1.026000      1.430000      ?             ?      
1 1 1 11 45 0  o -0.8996000     1.192000      187.6493      90.0   
1 1 1 11 45 1  o 0.4122000      0.8516000     91.65053      178.1  
1 1 1 11 45 2  o 0.4419000      0.8680000     113.8593      149.5  
1 1 1 11 45 3  o 1.556000       0.8551000     72.56225      -105.3 
1 1 1 11 45 4  o 2.712000       0.8556000     197.7973      -68.1  
1 1 1 11 45 5  o 1.905000       0.8422000     163.9425      -92.4  
1 1 1 11 45 6  o 4.814000       0.9497000     279.3564      -38.8  
1 1 1 11 45 7  o 0.5132000      1.059000      75.22314      -63.6  
1 1 1 11 45 8  o -0.2915000E-01 0.9901000     89.05415      13.8   
1 1 1 11 45 9  o 3.142000       0.7933000     131.7836      -141.6 
1 1 1 11 45 10 o 0.8661000      0.7835000     116.7106      -58.5  
1 1 1 11 45 11 o 5.658000       1.826000      144.5894      179.1  
1 1 1 11 45 12 o 3.060000       1.232000      193.5952      -141.1 
1 1 1 11 45 13 o 1.852000       0.9457000     178.8625      136.6  
1 1 1 11 45 14 o 0.4674000      1.205000      59.53904      152.1  
1 1 1 11 45 15 o 0.4448000      1.595000      211.9462      -149.5 
1 1 1 11 45 16 o 3.384000       1.648000      160.0537      41.8   
1 1 1 11 45 17 o 1.211000       1.263000      114.1920      -66.7  
1 1 1 11 45 18 o 2.608000       1.260000      192.9939      -178.5 
1 1 1 11 45 19 o 1.898000       1.278000      157.6627      -116.2 
1 1 1 11 45 20 o 1.118000       1.400000      120.3879      1.3    
1 1 1 11 45 21 o 1.375000       1.390000      86.69659      112.3  
1 1 1 11 45 22 o 6.064000       1.472000      239.1523      -113.9 
1 1 1 11 45 23 o 2.049000       1.491000      159.5682      -20.9  
1 1 1 11 45 24 o 3.037000       1.522000      156.9888      -174.1 
1 1 1 11 45 25 o 2.599000       2.003000      162.8554      -89.0  
1 1 1 11 45 26 o 0.6284000      2.022000      140.1516      12.8   
1 1 1 11 45 27 o 0.6734000      2.119000      109.9644      -39.6  
1 1 1 11 45 28 o 3.242000       2.169000      178.6436      -138.9 
1 1 1 11 45 29 o 0.3885000      1.516000      25.29717      116.3  
1 1 1 11 45 30 o -0.7388000     1.534000      104.2009      153.8  
1 1 1 11 45 31 o 2.625000       1.949000      153.8739      154.5  
1 1 1 11 45 32 o 3.131000       1.942000      ?             ?      
1 1 1 11 45 33 o -0.1900000E-01 1.689000      ?             ?      
1 1 1 11 45 34 o 0.6547000      1.691000      ?             ?      
1 1 1 11 45 35 o 2.370000       1.126000      ?             ?      
1 1 1 11 45 36 o 2.323000       1.072000      ?             ?      
1 1 1 11 45 37 o -0.4658000     1.030000      ?             ?      
1 1 1 11 45 38 o 3.835000       1.092000      ?             ?      
1 1 1 11 45 39 o -1.870000      1.052000      ?             ?      
1 1 1 11 45 40 o -2.204000      1.062000      ?             ?      
1 1 1 11 45 41 o 2.354000       1.207000      ?             ?      
1 1 1 11 45 42 o 1.138000       1.001000      ?             ?      
1 1 1 11 45 43 o -0.8592000     0.9213000     ?             ?      
1 1 1 11 45 44 o 1.372000       1.152000      ?             ?      
1 1 1 11 45 45 o 0.2049000      1.111000      ?             ?      
1 1 1 11 45 46 o 1.227000       0.9295000     ?             ?      
1 1 1 11 45 47 o 0.9378000      0.8821000     ?             ?      
1 1 1 11 45 48 o -0.8983000     0.8950000     ?             ?      
1 1 1 11 45 49 o -0.2431000     0.9181000     ?             ?      
1 1 1 11 45 50 o 0.6225000      0.9334000     ?             ?      
1 1 1 11 45 51 o 0.6004000      1.031000      ?             ?      
1 1 1 11 45 52 o 0.3327000      1.080000      ?             ?      
1 1 1 11 45 53 o 0.8047000      1.078000      ?             ?      
1 1 1 11 45 54 o -1.414000      1.277000      ?             ?      
1 1 1 11 45 55 o -2.564000      1.393000      ?             ?      
1 1 1 11 46 0  o -0.4460000     1.250000      64.74580      90.0   
1 1 1 11 46 1  o 0.6945000      0.8820000     129.4325      167.9  
1 1 1 11 46 2  o -0.4404000     0.8833000     109.0071      -1.8   
1 1 1 11 46 3  o 1.627000       0.8490000     98.74587      -16.8  
1 1 1 11 46 4  o 0.7373000      0.8542000     160.2076      66.7   
1 1 1 11 46 5  o 0.1241000      0.8316000     94.78072      98.4   
1 1 1 11 46 6  o -0.9389000     0.9699000     220.3433      105.1  
1 1 1 11 46 7  o 5.096000       1.709000      186.8169      4.0    
1 1 1 11 46 8  o 1.150000       0.9460000     136.1975      -114.3 
1 1 1 11 46 9  o 2.543000       0.8696000     219.7571      -41.6  
1 1 1 11 46 10 o 4.978000       0.8845000     228.2198      174.8  
1 1 1 11 46 11 o 0.5880000      1.090000      132.1529      -27.0  
1 1 1 11 46 12 o -0.2124000     1.067000      165.8096      138.8  
1 1 1 11 46 13 o -0.1238000     1.392000      103.1614      109.7  
1 1 1 11 46 14 o 1.442000       1.260000      127.8360      -147.9 
1 1 1 11 46 15 f 0.7282000E-01  1.252000      9.158953      9.0    
1 1 1 11 46 16 o -0.2026000     1.261000      87.18192      -6.8   
1 1 1 11 46 17 o 3.151000       1.361000      186.2948      -104.1 
1 1 1 11 46 18 o 3.354000       1.740000      154.2980      -55.9  
1 1 1 11 46 19 o 10.43000       1.496000      266.2684      -173.8 
1 1 1 11 46 20 o 0.3880000      1.409000      97.23792      -67.2  
1 1 1 11 46 21 o 0.8365000      1.446000      130.1133      115.3  
1 1 1 11 46 22 o 1.530000       1.468000      147.2680      -127.2 
1 1 1 11 46 23 o 4.753000       1.507000      158.4416      -12.3  
1 1 1 11 46 24 o 3.496000       1.992000      218.1763      49.3   
1 1 1 11 46 25 o -0.2563000     2.026000      101.2396      95.5   
1 1 1 11 46 26 o 6.092000       1.643000      178.1872      47.4   
1 1 1 11 46 27 o 3.852000       2.168000      130.4862      -132.1 
1 1 1 11 46 28 o 2.514000       2.156000      165.5334      65.6   
1 1 1 11 46 29 o 1.094000       1.517000      205.0119      -122.8 
1 1 1 11 46 30 o -0.1949000     1.503000      ?             ?      
1 1 1 11 46 31 o -0.8424000     1.505000      ?             ?      
1 1 1 11 46 32 o -0.5298000     1.627000      ?             ?      
1 1 1 11 46 33 o 2.850000       1.951000      ?             ?      
1 1 1 11 46 34 o 2.792000       1.936000      ?             ?      
1 1 1 11 46 35 o 3.356000       1.688000      ?             ?      
1 1 1 11 46 36 o -0.3886000     1.664000      ?             ?      
1 1 1 11 46 37 o 1.167000       1.097000      ?             ?      
1 1 1 11 46 38 o 0.4047000      1.048000      ?             ?      
1 1 1 11 46 39 o 0.3310000      1.025000      ?             ?      
1 1 1 11 46 40 o -0.2219000     1.137000      ?             ?      
1 1 1 11 46 41 o 1.468000       1.166000      ?             ?      
1 1 1 11 46 42 o 0.1342000      1.140000      ?             ?      
1 1 1 11 46 43 o 0.3915000      1.162000      ?             ?      
1 1 1 11 46 44 o 0.1391000      0.8760000     ?             ?      
1 1 1 11 46 45 o 0.1552000E-01  0.8907000     ?             ?      
1 1 1 11 46 46 o -0.5451000     1.274000      ?             ?      
1 1 1 11 46 47 o -0.6591000     1.116000      ?             ?      
1 1 1 11 46 48 o -0.3401000     0.8631000     ?             ?      
1 1 1 11 46 49 o -0.4777000     0.8898000     ?             ?      
1 1 1 11 46 50 o 1.649000       0.9157000     ?             ?      
1 1 1 11 46 51 o 2.609000       1.017000      ?             ?      
1 1 1 11 46 52 o 0.5027000      1.056000      ?             ?      
1 1 1 11 46 53 o 1.688000       1.077000      ?             ?      
1 1 1 11 46 54 o 1.411000       1.106000      ?             ?      
1 1 1 11 47 0  o 0.8272000      1.308000      8.560757      90.0   
1 1 1 11 47 1  o 1.197000       0.9204000     114.7899      65.4   
1 1 1 11 47 2  o 0.3552000      0.9168000     103.1755      12.9   
1 1 1 11 47 3  o 1.345000       0.8732000     64.77470      -8.7   
1 1 1 11 47 4  o 3.276000       0.8812000     121.9500      -86.1  
1 1 1 11 47 5  o 2.506000       0.8692000     237.6580      120.5  
1 1 1 11 47 6  o 4.920000       1.126000      330.5929      16.4   
1 1 1 11 47 7  o -0.6222000     1.186000      70.57730      -143.5 
1 1 1 11 47 8  o 0.8291000      0.9645000     28.21575      114.5  
1 1 1 11 47 9  o -1.612000      0.9646000     60.72217      -57.0  
1 1 1 11 47 10 o -0.5177000     1.510000      46.47489      -96.1  
1 1 1 11 47 11 o 1.500000       1.101000      188.1244      -100.7 
1 1 1 11 47 12 o -0.2878000     0.9593000     55.84193      79.4   
1 1 1 11 47 13 o 3.423000       0.9427000     184.1212      -65.0  
1 1 1 11 47 14 o -0.2978000     1.233000      157.0830      -7.3   
1 1 1 11 47 15 o 7.135000       1.336000      263.2196      -28.5  
1 1 1 11 47 16 o 1.389000       1.298000      199.5398      41.0   
1 1 1 11 47 17 o 1.719000       1.744000      188.5624      162.8  
1 1 1 11 47 18 o 2.823000       1.356000      121.2997      -83.3  
1 1 1 11 47 19 o 0.7895000      1.441000      157.3749      102.7  
1 1 1 11 47 20 o 3.842000       1.460000      209.4304      -42.4  
1 1 1 11 47 21 o 1.043000       1.472000      30.18366      -126.0 
1 1 1 11 47 22 o 1.499000       1.495000      129.1169      78.5   
1 1 1 11 47 23 o 1.436000       1.509000      149.9949      16.0   
1 1 1 11 47 24 o 6.755000       2.040000      340.6075      -118.7 
1 1 1 11 47 25 o 6.360000       2.091000      319.2952      55.2   
1 1 1 11 47 26 o 1.767000       2.166000      221.1061      150.0  
1 1 1 11 47 27 o 2.978000       2.108000      ?             ?      
1 1 1 11 47 28 o 0.9056000      1.521000      ?             ?      
1 1 1 11 47 29 o 0.8488000      1.515000      ?             ?      
1 1 1 11 47 30 o 7.211000       1.569000      ?             ?      
1 1 1 11 47 31 o -0.1238000E-01 1.527000      ?             ?      
1 1 1 11 47 32 o 1.669000       1.543000      ?             ?      
1 1 1 11 47 33 o 5.529000       1.557000      ?             ?      
1 1 1 11 47 34 o 2.048000       1.895000      ?             ?      
1 1 1 11 47 35 o 0.5307000      1.927000      ?             ?      
1 1 1 11 47 36 o 2.269000       2.000000      ?             ?      
1 1 1 11 47 37 o -0.5122000     1.632000      ?             ?      
1 1 1 11 47 38 o 0.1313000      1.173000      ?             ?      
1 1 1 11 47 39 o 0.2998000      1.040000      ?             ?      
1 1 1 11 47 40 o 1.947000       1.105000      ?             ?      
1 1 1 11 47 41 o -0.1402000     1.023000      ?             ?      
1 1 1 11 47 42 o 0.1797000      1.155000      ?             ?      
1 1 1 11 47 43 o -0.1683000     1.048000      ?             ?      
1 1 1 11 47 44 o 0.7264000      1.073000      ?             ?      
1 1 1 11 47 45 o -1.137000      0.8562000     ?             ?      
1 1 1 11 47 46 o 2.416000       0.9031000     ?             ?      
1 1 1 11 47 47 o -0.6501000     1.136000      ?             ?      
1 1 1 11 47 48 o -0.9062000     1.118000      ?             ?      
1 1 1 11 47 49 o 1.032000       0.9493000     ?             ?      
1 1 1 11 47 50 o 0.2609000      0.9356000     ?             ?      
1 1 1 11 47 51 o 0.9060000      0.9681000     ?             ?      
1 1 1 11 47 52 o 0.4875000      0.9880000     ?             ?      
1 1 1 11 47 53 o 1.176000       1.278000      ?             ?      
1 1 1 11 48 0  o 14.07000       1.491000      628.9229      90.0   
1 1 1 11 48 1  o 1.512000       0.9596000     160.3350      -114.5 
1 1 1 11 48 2  o 7.100000       0.9968000     299.1849      120.3  
1 1 1 11 48 3  f 6.236000       1.006000      247.4113      133.5  
1 1 1 11 48 4  o -1.319000      0.9661000     105.2526      -133.7 
1 1 1 11 48 5  o 1.511000       0.9114000     214.2054      106.5  
1 1 1 11 48 6  o 1.006000       1.134000      101.3748      -175.6 
1 1 1 11 48 7  o 4.226000       1.786000      213.0135      88.1   
1 1 1 11 48 8  o 0.5831000      0.9978000     88.75952      123.4  
1 1 1 11 48 9  o 4.975000       0.8370000     329.9434      24.2   
1 1 1 11 48 10 o 2.825000       1.033000      232.5934      154.5  
1 1 1 11 48 11 o 0.5104000      0.9425000     35.74380      -67.7  
1 1 1 11 48 12 o 1.545000       0.9586000     166.7619      -98.5  
1 1 1 11 48 13 o 1.025000       0.9470000     144.8054      36.7   
1 1 1 11 48 14 o 5.929000       1.323000      279.0118      148.3  
1 1 1 11 48 15 o 6.143000       1.345000      338.1581      -177.8 
1 1 1 11 48 16 o 1.242000       1.314000      197.0808      -172.4 
1 1 1 11 48 17 o 9.800000       1.808000      309.6822      -162.7 
1 1 1 11 48 18 o 2.412000       1.437000      215.5365      -7.3   
1 1 1 11 48 19 o -0.4222000     1.428000      58.77118      -154.0 
1 1 1 11 48 20 o 8.658000       1.515000      339.6038      153.5  
1 1 1 11 48 21 o 8.659000       1.539000      419.5869      91.4   
1 1 1 11 48 22 o 0.3172000      1.487000      146.8266      -4.7   
1 1 1 11 48 23 o 1.426000       1.917000      231.2361      137.2  
1 1 1 11 48 24 o 9.124000       2.094000      298.5633      164.7  
1 1 1 11 48 25 o 0.1620000      1.571000      ?             ?      
1 1 1 11 48 26 o 5.299000       2.128000      ?             ?      
1 1 1 11 48 27 o 0.7501000      2.086000      ?             ?      
1 1 1 11 48 28 o 0.9673000E-01  1.487000      ?             ?      
1 1 1 11 48 29 o 1.192000       1.502000      ?             ?      
1 1 1 11 48 30 o 1.128000       1.515000      ?             ?      
1 1 1 11 48 31 o 3.271000       1.520000      ?             ?      
1 1 1 11 48 32 o 0.5914000      1.516000      ?             ?      
1 1 1 11 48 33 o 4.832000       1.557000      ?             ?      
1 1 1 11 48 34 o 6.145000       1.595000      ?             ?      
1 1 1 11 48 35 o 5.625000       1.613000      ?             ?      
1 1 1 11 48 36 o -0.3787000     1.971000      ?             ?      
1 1 1 11 48 37 o -1.666000      1.973000      ?             ?      
1 1 1 11 48 38 o -4.971000      1.630000      ?             ?      
1 1 1 11 48 39 o 1.037000       1.747000      ?             ?      
1 1 1 11 48 40 o -2.906000      1.318000      ?             ?      
1 1 1 11 48 41 o -1.546000      1.259000      ?             ?      
1 1 1 11 48 42 o -0.7787000     1.105000      ?             ?      
1 1 1 11 48 43 o 0.5513000      1.023000      ?             ?      
1 1 1 11 48 44 o 0.6191000      1.035000      ?             ?      
1 1 1 11 48 45 o 1.168000       1.049000      ?             ?      
1 1 1 11 48 46 o 0.1048000      1.079000      ?             ?      
1 1 1 11 48 47 o 0.6028000E-01  0.8861000     ?             ?      
1 1 1 11 48 48 o -1.440000      1.351000      ?             ?      
1 1 1 11 48 49 o 0.5132000E-01  1.281000      ?             ?      
1 1 1 11 48 50 o -1.081000      0.9915000     ?             ?      
1 1 1 11 48 51 o 0.2832000      0.9235000     ?             ?      
1 1 1 11 48 52 o 0.5293000      1.179000      ?             ?      
1 1 1 11 49 0  o -0.6380000     1.499000      165.5959      -90.0  
1 1 1 11 49 1  o 4.693000       1.036000      179.7011      -174.9 
1 1 1 11 49 2  o 1.579000       0.9651000     209.1366      -24.1  
1 1 1 11 49 3  o 2.092000       1.034000      133.0675      -153.9 
1 1 1 11 49 4  o 0.6435000      1.135000      91.61581      -55.6  
1 1 1 11 49 5  o 1.227000       0.9494000     167.9385      -17.4  
1 1 1 11 49 6  o 2.422000       1.138000      329.7493      129.1  
1 1 1 11 49 7  o 4.341000       1.219000      324.6229      150.2  
1 1 1 11 49 8  o 13.37000       1.416000      511.8433      88.1   
1 1 1 11 49 9  o 3.300000       0.9884000     281.1489      -99.4  
1 1 1 11 49 10 o 3.898000       0.8155000     282.4041      29.1   
1 1 1 11 49 11 o 3.428000       0.9573000     328.2645      -34.0  
1 1 1 11 49 12 o 3.788000       0.9800000     217.7547      -75.9  
1 1 1 11 49 13 o 11.30000       1.053000      587.7792      -37.1  
1 1 1 11 49 14 o 10.98000       1.392000      447.5414      -28.6  
1 1 1 11 49 15 o 5.341000       1.358000      481.0674      -75.3  
1 1 1 11 49 16 o 3.633000       1.753000      91.10446      13.6   
1 1 1 11 49 17 o 0.5454000      1.732000      80.42429      135.5  
1 1 1 11 49 18 o 2.787000       1.413000      253.7069      -82.1  
1 1 1 11 49 19 o 5.062000       1.445000      317.6654      151.5  
1 1 1 11 49 20 o 1.497000       1.437000      195.8685      -109.7 
1 1 1 11 49 21 o 3.562000       1.479000      251.8265      177.4  
1 1 1 11 49 22 o 5.115000       1.524000      ?             ?      
1 1 1 11 49 23 o -1.320000      1.936000      ?             ?      
1 1 1 11 49 24 o 5.228000       1.593000      ?             ?      
1 1 1 11 49 25 o -1.238000      2.054000      ?             ?      
1 1 1 11 49 26 o 2.904000       2.089000      ?             ?      
1 1 1 11 49 27 o 4.654000       1.538000      ?             ?      
1 1 1 11 49 28 o 0.7899000      1.502000      ?             ?      
1 1 1 11 49 29 o 4.118000       1.528000      ?             ?      
1 1 1 11 49 30 o 3.610000       1.540000      ?             ?      
1 1 1 11 49 31 o -1.986000      1.493000      ?             ?      
1 1 1 11 49 32 o 3.252000       1.519000      ?             ?      
1 1 1 11 49 33 o -0.2705000     1.518000      ?             ?      
1 1 1 11 49 34 o 1.468000       1.583000      ?             ?      
1 1 1 11 49 35 o 0.6189000      1.593000      ?             ?      
1 1 1 11 49 36 o 4.912000       1.637000      ?             ?      
1 1 1 11 49 37 o 1.106000       1.632000      ?             ?      
1 1 1 11 49 38 o 0.8815000E-01  1.975000      ?             ?      
1 1 1 11 49 39 o 3.298000       2.471000      ?             ?      
1 1 1 11 49 40 o -0.8473000     2.004000      ?             ?      
1 1 1 11 49 41 o -0.2408000     1.301000      ?             ?      
1 1 1 11 49 42 o 0.5596000      1.144000      ?             ?      
1 1 1 11 49 43 o -1.535000      1.075000      ?             ?      
1 1 1 11 49 44 o -0.5657000     1.046000      ?             ?      
1 1 1 11 49 45 o 0.3095000      1.032000      ?             ?      
1 1 1 11 49 46 o 0.6175000      1.154000      ?             ?      
1 1 1 11 49 47 o 0.7343000      1.327000      ?             ?      
1 1 1 11 49 48 o -0.4772000     1.352000      ?             ?      
1 1 1 11 49 49 o 0.1110000E-01  0.9309000     ?             ?      
1 1 1 11 49 50 o 1.729000       1.330000      ?             ?      
1 1 1 11 50 0  o 1.364000       1.602000      222.0379      90.0   
1 1 1 11 50 1  o 1.288000       1.147000      234.0786      39.2   
1 1 1 11 50 2  o -0.7373000E-01 1.101000      137.0654      72.4   
1 1 1 11 50 3  o 7.559000       1.001000      370.0487      107.7  
1 1 1 11 50 4  o 1.679000       1.063000      162.7100      -44.1  
1 1 1 11 50 5  o 6.956000       1.158000      380.9066      142.1  
1 1 1 11 50 6  o 8.068000       1.233000      411.6585      -136.5 
1 1 1 11 50 7  o 3.398000       1.109000      403.6479      -168.3 
1 1 1 11 50 8  o -0.3427000     0.9465000     67.82288      -84.3  
1 1 1 11 50 9  o 3.460000       0.8634000     326.4987      123.5  
1 1 1 11 50 10 o 5.307000       0.8754000     263.4796      -98.5  
1 1 1 11 50 11 o 0.2034000E-01  0.9641000     113.2747      -45.8  
1 1 1 11 50 12 o 0.3344000      0.9718000     137.5555      12.8   
1 1 1 11 50 13 o 10.92000       1.368000      440.0020      36.0   
1 1 1 11 50 14 o -1.640000      1.278000      208.0681      62.6   
1 1 1 11 50 15 o 1.858000       1.302000      137.8207      173.9  
1 1 1 11 50 16 o 0.9087000      1.754000      161.6827      86.8   
1 1 1 11 50 17 o 3.225000       1.763000      240.3235      69.2   
1 1 1 11 50 18 o 0.5807000      1.424000      228.5580      -174.1 
1 1 1 11 50 19 o 2.861000       1.424000      ?             ?      
1 1 1 11 50 20 o -1.030000      1.413000      ?             ?      
1 1 1 11 50 21 o 1.223000       1.436000      ?             ?      
1 1 1 11 50 22 o -0.9240000     1.915000      ?             ?      
1 1 1 11 50 23 o 2.693000       1.966000      ?             ?      
1 1 1 11 50 24 o -1.324000      1.504000      ?             ?      
1 1 1 11 50 25 o 4.083000       2.105000      ?             ?      
1 1 1 11 50 26 o 0.6677000      2.017000      ?             ?      
1 1 1 11 50 27 o 3.216000       1.515000      ?             ?      
1 1 1 11 50 28 o 5.452000       1.531000      ?             ?      
1 1 1 11 50 29 o 9.915000       1.571000      ?             ?      
1 1 1 11 50 30 o -1.401000      1.471000      ?             ?      
1 1 1 11 50 31 o 0.9136000      1.521000      ?             ?      
1 1 1 11 50 32 o 5.658000       1.584000      ?             ?      
1 1 1 11 50 33 o 2.545000       1.579000      ?             ?      
1 1 1 11 50 34 o 0.8470000      1.538000      ?             ?      
1 1 1 11 50 35 o 0.5859000E-01  1.562000      ?             ?      
1 1 1 11 50 36 o 1.348000       1.602000      ?             ?      
1 1 1 11 50 37 o 3.775000       1.632000      ?             ?      
1 1 1 11 50 38 o -2.353000      2.112000      ?             ?      
1 1 1 11 50 39 o -3.391000      2.148000      ?             ?      
1 1 1 11 50 40 o -1.207000      4.475000      ?             ?      
1 1 1 11 50 41 o 0.1939000      1.799000      ?             ?      
1 1 1 11 50 42 o 2.089000       1.661000      ?             ?      
1 1 1 11 50 43 o 1.876000       1.200000      ?             ?      
1 1 1 11 50 44 o -2.333000      1.242000      ?             ?      
1 1 1 11 50 45 o 0.6536000      1.314000      ?             ?      
1 1 1 11 50 46 o -0.9169000     1.288000      ?             ?      
1 1 1 11 50 47 o 1.745000       2.577000      ?             ?      
1 1 1 11 50 48 o 1.841000       1.339000      ?             ?      
1 1 1 11 50 49 o -0.5466000     1.307000      ?             ?      
1 1 1 11 51 0  o -1.684000      1.358000      80.13534      90.0   
1 1 1 11 51 1  o 0.7627000      1.174000      162.6116      -175.2 
1 1 1 11 51 2  o 3.242000       1.473000      289.2345      -150.2 
1 1 1 11 51 3  o 2.770000       1.102000      238.9345      45.4   
1 1 1 11 51 4  o 2.647000       1.024000      293.0705      16.2   
1 1 1 11 51 5  o 8.553000       1.050000      301.3895      6.2    
1 1 1 11 51 6  o 8.176000       1.387000      466.2281      173.8  
1 1 1 11 51 7  o -0.2111000     1.075000      86.67833      149.0  
1 1 1 11 51 8  o 3.102000       1.036000      218.2377      -14.3  
1 1 1 11 51 9  o 2.645000       0.8287000     286.5900      -80.6  
1 1 1 11 51 10 o 11.81000       0.9415000     546.7713      8.9    
1 1 1 11 51 11 o 2.381000       0.9709000     223.1733      -8.7   
1 1 1 11 51 12 o 3.270000       0.9680000     200.9433      57.1   
1 1 1 11 51 13 o -0.1187000     0.9052000     174.3680      -48.8  
1 1 1 11 51 14 o 3.077000       1.293000      124.8302      133.4  
1 1 1 11 51 15 o 1.544000       1.701000      ?             ?      
1 1 1 11 51 16 o 3.337000       1.727000      ?             ?      
1 1 1 11 51 17 o 3.489000       1.744000      ?             ?      
1 1 1 11 51 18 o 2.824000       1.413000      ?             ?      
1 1 1 11 51 19 o 1.095000       1.417000      ?             ?      
1 1 1 11 51 20 o 4.883000       1.449000      ?             ?      
1 1 1 11 51 21 o 0.5740000E-02  1.445000      ?             ?      
1 1 1 11 51 22 o 3.516000       1.921000      ?             ?      
1 1 1 11 51 23 o 1.695000       1.484000      ?             ?      
1 1 1 11 51 24 o -1.127000      2.012000      ?             ?      
1 1 1 11 51 25 o 0.4407000      1.997000      ?             ?      
1 1 1 11 51 26 o 6.417000       1.514000      ?             ?      
1 1 1 11 51 27 o 5.483000       1.490000      ?             ?      
1 1 1 11 51 28 o -0.6933000     1.446000      ?             ?      
1 1 1 11 51 29 o 1.067000       1.476000      ?             ?      
1 1 1 11 51 30 o 1.901000       1.514000      ?             ?      
1 1 1 11 51 31 o 0.5844000      1.530000      ?             ?      
1 1 1 11 51 32 o 1.232000       1.551000      ?             ?      
1 1 1 11 51 33 o 1.284000       1.535000      ?             ?      
1 1 1 11 51 34 o -3.146000      1.528000      ?             ?      
1 1 1 11 51 35 o -0.8927000     1.554000      ?             ?      
1 1 1 11 51 36 o 2.578000       1.569000      ?             ?      
1 1 1 11 51 37 o 3.314000       2.090000      ?             ?      
1 1 1 11 51 38 o -3.140000      2.093000      ?             ?      
1 1 1 11 51 39 o 0.8560000      1.642000      ?             ?      
1 1 1 11 51 40 o -0.7989000     2.227000      ?             ?      
1 1 1 11 51 41 o 2.063000       2.027000      ?             ?      
1 1 1 11 51 42 o 0.4723000      2.046000      ?             ?      
1 1 1 11 51 43 o -0.7730000     1.882000      ?             ?      
1 1 1 11 51 44 o 2.362000       1.913000      ?             ?      
1 1 1 11 51 45 o 0.5743000      1.444000      ?             ?      
1 1 1 11 51 46 o 1.425000       1.371000      ?             ?      
1 1 1 11 51 47 o 1.554000       1.379000      ?             ?      
1 1 1 11 51 48 o 0.5408000      0.9044000     ?             ?      
1 1 1 11 52 0  o 2.879000       1.416000      379.9424      -90.0  
1 1 1 11 52 1  o 9.159000       1.126000      447.8098      60.0   
1 1 1 11 52 2  o 5.991000       1.116000      265.3836      148.1  
1 1 1 11 52 3  o 3.118000       0.9608000     273.4985      -176.1 
1 1 1 11 52 4  o 0.5588000E-01  0.9354000     76.85612      124.9  
1 1 1 11 52 5  o 1.005000       0.9714000     208.0591      138.5  
1 1 1 11 52 6  o 0.3211000      0.9167000     185.8846      -132.8 
1 1 1 11 52 7  o 0.4773000      1.079000      192.3741      -126.6 
1 1 1 11 52 8  o 0.9232000      0.9938000     92.65489      -13.9  
1 1 1 11 52 9  o 1.840000       0.8314000     ?             ?      
1 1 1 11 52 10 o 0.5340000      0.8180000     ?             ?      
1 1 1 11 52 11 o -2.524000      0.9469000     ?             ?      
1 1 1 11 52 12 o 2.201000       0.9356000     ?             ?      
1 1 1 11 52 13 o 0.9629000      0.8732000     ?             ?      
1 1 1 11 52 14 o 0.6111000      1.256000      ?             ?      
1 1 1 11 52 15 o 0.1209000      1.672000      ?             ?      
1 1 1 11 52 16 o 0.2930000      1.696000      ?             ?      
1 1 1 11 52 17 o 6.873000       1.536000      ?             ?      
1 1 1 11 52 18 o 0.1470000      1.361000      ?             ?      
1 1 1 11 52 19 o -0.2021000     1.388000      ?             ?      
1 1 1 11 52 20 o 3.317000       1.412000      ?             ?      
1 1 1 11 52 21 o -0.5140000E-01 1.894000      ?             ?      
1 1 1 11 52 22 o 6.654000       1.955000      ?             ?      
1 1 1 11 52 23 o -0.6079000E-01 2.595000      ?             ?      
1 1 1 11 52 24 o -1.293000      1.994000      ?             ?      
1 1 1 11 52 25 o 1.787000       1.974000      ?             ?      
1 1 1 11 52 26 o 0.2496000      1.446000      ?             ?      
1 1 1 11 52 27 o -1.112000      1.462000      ?             ?      
1 1 1 11 52 28 o 1.500000       1.485000      ?             ?      
1 1 1 11 52 29 o 2.223000       1.506000      ?             ?      
1 1 1 11 52 30 o 3.262000       1.545000      ?             ?      
1 1 1 11 52 31 o -1.303000      1.527000      ?             ?      
1 1 1 11 52 32 o -0.3057000E-01 1.507000      ?             ?      
1 1 1 11 52 33 o 4.246000       1.593000      ?             ?      
1 1 1 11 52 34 o 2.613000       1.543000      ?             ?      
1 1 1 11 52 35 o 2.720000       1.588000      ?             ?      
1 1 1 11 52 36 f -1.887000      1.571000      ?             ?      
1 1 1 11 52 37 o -1.024000      2.052000      ?             ?      
1 1 1 11 52 38 o 1.204000       2.098000      ?             ?      
1 1 1 11 52 39 o -2.747000      2.288000      ?             ?      
1 1 1 11 52 40 o 2.143000       2.326000      ?             ?      
1 1 1 11 52 41 o -0.1572000     1.626000      ?             ?      
1 1 1 11 52 42 o 1.147000       1.272000      ?             ?      
1 1 1 11 52 43 o 5.096000       2.792000      ?             ?      
1 1 1 11 52 44 o -1.870000      2.724000      ?             ?      
1 1 1 11 52 45 o 1.379000       1.909000      ?             ?      
1 1 1 11 52 46 o 0.6307000      1.272000      ?             ?      
1 1 1 11 53 0  o 5.779000       1.400000      ?             ?      
1 1 1 11 53 1  o 9.249000       1.021000      ?             ?      
1 1 1 11 53 2  o 5.620000       0.9735000     ?             ?      
1 1 1 11 53 3  o 3.536000       1.110000      ?             ?      
1 1 1 11 53 4  o 0.4982000      0.9605000     ?             ?      
1 1 1 11 53 5  o 0.5025000      0.9136000     ?             ?      
1 1 1 11 53 6  o 2.114000       0.8953000     ?             ?      
1 1 1 11 53 7  o 0.1758000      1.037000      ?             ?      
1 1 1 11 53 8  o -0.9994000     1.010000      ?             ?      
1 1 1 11 53 9  o -0.7378000     0.7869000     ?             ?      
1 1 1 11 53 10 o 2.324000       0.7757000     ?             ?      
1 1 1 11 53 11 o 1.554000       1.078000      ?             ?      
1 1 1 11 53 12 o 0.9824000      0.9012000     ?             ?      
1 1 1 11 53 13 o 1.872000       0.8743000     ?             ?      
1 1 1 11 53 14 o -0.8806000     1.376000      ?             ?      
1 1 1 11 53 15 o -2.445000      1.655000      ?             ?      
1 1 1 11 53 16 o -2.254000      1.663000      ?             ?      
1 1 1 11 53 17 o -1.320000      1.348000      ?             ?      
1 1 1 11 53 18 o 3.165000       1.391000      ?             ?      
1 1 1 11 53 19 o 3.628000       1.398000      ?             ?      
1 1 1 11 53 20 o 1.520000       1.394000      ?             ?      
1 1 1 11 53 21 o 1.818000       1.875000      ?             ?      
1 1 1 11 53 22 o 0.6565000      1.410000      ?             ?      
1 1 1 11 53 23 o 1.184000       1.447000      ?             ?      
1 1 1 11 53 24 o -3.562000      1.919000      ?             ?      
1 1 1 11 53 25 o 0.6490000      1.444000      ?             ?      
1 1 1 11 53 26 o 4.798000       1.490000      ?             ?      
1 1 1 11 53 27 o 0.5830000      1.471000      ?             ?      
1 1 1 11 53 28 o 1.429000       1.472000      ?             ?      
1 1 1 11 53 29 o 2.742000       1.522000      ?             ?      
1 1 1 11 53 30 o 2.179000       1.513000      ?             ?      
1 1 1 11 53 31 o 2.838000       1.883000      ?             ?      
1 1 1 11 53 32 o 0.4454000      1.502000      ?             ?      
1 1 1 11 53 33 o -0.4805000     1.536000      ?             ?      
1 1 1 11 53 34 o 0.5131000      1.570000      ?             ?      
1 1 1 11 53 35 o 1.735000       1.578000      ?             ?      
1 1 1 11 53 36 o 1.041000       2.078000      ?             ?      
1 1 1 11 53 37 o -1.930000      2.070000      ?             ?      
1 1 1 11 53 38 o 0.2794000      2.303000      ?             ?      
1 1 1 11 53 39 o -0.8612000     2.289000      ?             ?      
1 1 1 11 53 40 o 2.097000       1.064000      ?             ?      
1 1 1 11 53 41 o -0.4925000E-01 1.093000      ?             ?      
1 1 1 11 53 42 o 0.4246000E-01  1.092000      ?             ?      
1 1 1 11 53 43 o 1.595000       1.122000      ?             ?      
1 1 1 11 53 44 o -0.7895000     1.261000      ?             ?      
1 1 1 11 53 45 o 3.254000       2.775000      ?             ?      
1 1 1 11 54 0  o 0.5765000      1.290000      ?             ?      
1 1 1 11 54 1  o 6.370000       0.9563000     ?             ?      
1 1 1 11 54 2  o 2.453000       0.9170000     ?             ?      
1 1 1 11 54 3  o 4.865000       1.140000      ?             ?      
1 1 1 11 54 4  o 0.9051000      0.9413000     ?             ?      
1 1 1 11 54 5  o 2.022000       0.9078000     ?             ?      
1 1 1 11 54 6  o 11.96000       1.135000      ?             ?      
1 1 1 11 54 7  o 7.300000       1.100000      ?             ?      
1 1 1 11 54 8  o 1.320000       0.9590000     ?             ?      
1 1 1 11 54 9  o 2.434000       0.7980000     ?             ?      
1 1 1 11 54 10 o 4.186000       0.7632000     ?             ?      
1 1 1 11 54 11 o 0.6736000      0.9322000     ?             ?      
1 1 1 11 54 12 o 1.453000       1.176000      ?             ?      
1 1 1 11 54 13 f 4.189000       0.7057000     ?             ?      
1 1 1 11 54 14 f 1.367000       1.935000      ?             ?      
1 1 1 11 54 15 o 1.615000       1.666000      ?             ?      
1 1 1 11 54 16 o 2.893000       1.955000      ?             ?      
1 1 1 11 54 17 o 2.015000       1.345000      ?             ?      
1 1 1 11 54 18 o 2.799000       1.377000      ?             ?      
1 1 1 11 54 19 o 3.942000       1.401000      ?             ?      
1 1 1 11 54 20 o 2.526000       1.835000      ?             ?      
1 1 1 11 54 21 o 5.203000       1.960000      ?             ?      
1 1 1 11 54 22 o 0.9739000      1.447000      ?             ?      
1 1 1 11 54 23 o 4.999000       2.111000      ?             ?      
1 1 1 11 54 24 o -1.902000      2.032000      ?             ?      
1 1 1 11 54 25 o 1.195000       1.432000      ?             ?      
1 1 1 11 54 26 o -0.1544000     1.446000      ?             ?      
1 1 1 11 54 27 o -0.7103000     1.810000      ?             ?      
1 1 1 11 54 28 o -0.5178000E-01 1.823000      ?             ?      
1 1 1 11 54 29 o 5.417000       1.876000      ?             ?      
1 1 1 11 54 30 o 4.011000       1.920000      ?             ?      
1 1 1 11 54 31 o 3.909000       1.880000      ?             ?      
1 1 1 11 54 32 o 2.837000       1.919000      ?             ?      
1 1 1 11 54 33 o 3.997000       1.947000      ?             ?      
1 1 1 11 54 34 o 2.816000       1.969000      ?             ?      
1 1 1 11 54 35 o -0.2391000     1.921000      ?             ?      
1 1 1 11 54 36 o 3.428000       2.431000      ?             ?      
1 1 1 11 54 38 o 0.1788000      1.007000      ?             ?      
1 1 1 11 54 39 o 2.263000       1.042000      ?             ?      
1 1 1 11 54 40 o 1.610000       1.062000      ?             ?      
1 1 1 11 54 41 o 2.872000       1.064000      ?             ?      
1 1 1 11 54 42 o -1.165000      1.057000      ?             ?      
1 1 1 11 54 43 < 0.000000       -1.000000     ?             ?      
1 1 1 11 55 0  o 0.7874000      1.251000      ?             ?      
1 1 1 11 55 1  o 1.088000       0.9003000     ?             ?      
1 1 1 11 55 2  o 2.610000       0.9127000     ?             ?      
1 1 1 11 55 3  o 3.737000       1.224000      ?             ?      
1 1 1 11 55 4  o 0.9744000      0.9272000     ?             ?      
1 1 1 11 55 5  o -0.6414000     0.8087000     ?             ?      
1 1 1 11 55 6  o 2.556000       0.8503000     ?             ?      
1 1 1 11 55 7  o 0.4055000E-01  1.002000      ?             ?      
1 1 1 11 55 8  o 1.022000       0.8822000     ?             ?      
1 1 1 11 55 9  o 1.575000       0.7289000     ?             ?      
1 1 1 11 55 10 o 2.023000       0.9089000     ?             ?      
1 1 1 11 55 11 o 1.060000       0.9018000     ?             ?      
1 1 1 11 55 12 o 4.295000       1.263000      ?             ?      
1 1 1 11 55 13 o -2.708000      1.215000      ?             ?      
1 1 1 11 55 14 o -3.315000      1.317000      ?             ?      
1 1 1 11 55 15 o 6.293000       2.070000      ?             ?      
1 1 1 11 55 16 o 2.578000       2.233000      ?             ?      
1 1 1 11 55 17 o 0.5930000E-01  0.9895000     ?             ?      
1 1 1 11 55 18 o 1.798000       1.924000      ?             ?      
1 1 1 11 55 19 o -1.008000      1.396000      ?             ?      
1 1 1 11 55 20 o 4.628000       1.906000      ?             ?      
1 1 1 11 55 21 o -1.544000      1.468000      ?             ?      
1 1 1 11 55 22 o 1.194000       1.453000      ?             ?      
1 1 1 11 55 23 o 0.4990000      2.052000      ?             ?      
1 1 1 11 55 24 o 0.5111000      1.461000      ?             ?      
1 1 1 11 55 25 o 1.324000       1.445000      ?             ?      
1 1 1 11 55 26 o 0.9172000      2.360000      ?             ?      
1 1 1 11 55 27 o 0.1833000E-01  1.822000      ?             ?      
1 1 1 11 55 28 o 2.819000       1.842000      ?             ?      
1 1 1 11 55 29 o -0.1320000     1.862000      ?             ?      
1 1 1 11 55 30 o 4.102000       1.926000      ?             ?      
1 1 1 11 55 31 o 1.555000       1.892000      ?             ?      
1 1 1 11 55 32 o 1.547000       1.933000      ?             ?      
1 1 1 11 55 33 o 1.194000       1.921000      ?             ?      
1 1 1 11 55 34 o 1.285000       1.956000      ?             ?      
1 1 1 11 55 35 o -0.4844000E-01 2.477000      ?             ?      
1 1 1 11 55 36 o -3.291000      4.233000      ?             ?      
1 1 1 11 55 38 o 1.841000       2.623000      ?             ?      
1 1 1 11 55 39 o 1.338000       2.642000      ?             ?      
1 1 1 11 55 40 o 2.020000       2.686000      ?             ?      
1 1 1 11 55 41 o -1.286000      2.641000      ?             ?      
1 1 1 11 56 0  o -0.6790000     1.214000      ?             ?      
1 1 1 11 56 1  o 0.9221000      0.8746000     ?             ?      
1 1 1 11 56 2  o 0.1671000      0.8833000     ?             ?      
1 1 1 11 56 3  o 1.864000       1.185000      ?             ?      
1 1 1 11 56 4  o 1.306000       0.8944000     ?             ?      
1 1 1 11 56 5  o 10.22000       0.8738000     ?             ?      
1 1 1 11 56 6  o 6.497000       0.8572000     ?             ?      
1 1 1 11 56 7  o 0.2754000      0.9685000     ?             ?      
1 1 1 11 56 8  o 2.704000       0.8702000     ?             ?      
1 1 1 11 56 9  o -0.1441000     0.7095000     ?             ?      
1 1 1 11 56 10 o 0.8813000      0.8930000     ?             ?      
1 1 1 11 56 11 o 0.4361000      0.8738000     ?             ?      
1 1 1 11 56 12 o -1.305000      0.8227000     ?             ?      
1 1 1 11 56 13 o -0.1666000     1.210000      ?             ?      
1 1 1 11 56 14 o 2.965000       1.346000      ?             ?      
1 1 1 11 56 15 o 3.564000       2.063000      ?             ?      
1 1 1 11 56 16 o 4.077000       2.066000      ?             ?      
1 1 1 11 56 17 o 0.7735000      1.341000      ?             ?      
1 1 1 11 56 18 o 1.382000       1.425000      ?             ?      
1 1 1 11 56 19 o -0.1283000     1.835000      ?             ?      
1 1 1 11 56 20 o 1.236000       1.112000      ?             ?      
1 1 1 11 56 21 o -0.9207000E-01 1.138000      ?             ?      
1 1 1 11 56 22 o -0.5733000     2.058000      ?             ?      
1 1 1 11 56 23 o -0.1805000     2.056000      ?             ?      
1 1 1 11 56 24 o 1.811000       2.041000      ?             ?      
1 1 1 11 56 25 o -3.068000      2.021000      ?             ?      
1 1 1 11 56 26 o 3.963000       2.115000      ?             ?      
1 1 1 11 56 27 o 0.4825000E-01  1.878000      ?             ?      
1 1 1 11 56 28 o -1.630000      1.834000      ?             ?      
1 1 1 11 56 29 o 2.385000       1.884000      ?             ?      
1 1 1 11 56 30 o 1.189000       1.883000      ?             ?      
1 1 1 11 56 31 o 4.653000       1.912000      ?             ?      
1 1 1 11 56 32 o 0.8084000E-01  1.900000      ?             ?      
1 1 1 11 56 33 o 3.703000       2.498000      ?             ?      
1 1 1 11 56 34 o -1.069000      2.497000      ?             ?      
1 1 1 11 56 35 o 2.509000       2.541000      ?             ?      
1 1 1 11 56 37 < 0.000000       -1.000000     ?             ?      
1 1 1 11 56 38 o -6.432000      2.639000      ?             ?      
1 1 1 11 56 39 o -1.953000      2.669000      ?             ?      
1 1 1 11 56 40 f 0.5150000      2.660000      ?             ?      
1 1 1 11 57 0  o -0.1874000     1.200000      ?             ?      
1 1 1 11 57 1  o -0.1654000     0.8634000     ?             ?      
1 1 1 11 57 2  o 1.999000       0.8829000     ?             ?      
1 1 1 11 57 3  o 8.958000       1.170000      ?             ?      
1 1 1 11 57 4  o 1.706000       0.8322000     ?             ?      
1 1 1 11 57 5  o 1.343000       0.7987000     ?             ?      
1 1 1 11 57 6  o 4.482000       0.8654000     ?             ?      
1 1 1 11 57 7  o 0.6452000      0.8729000     ?             ?      
1 1 1 11 57 8  o 0.4312000      0.8043000     ?             ?      
1 1 1 11 57 9  o 0.3977000      0.7027000     ?             ?      
1 1 1 11 57 10 o 5.184000       0.9247000     ?             ?      
1 1 1 11 57 11 o -1.303000      0.8551000     ?             ?      
1 1 1 11 57 12 o -0.2657000E-01 0.8151000     ?             ?      
1 1 1 11 57 13 o 1.462000       1.286000      ?             ?      
1 1 1 11 57 14 o 1.612000       1.320000      ?             ?      
1 1 1 11 57 15 o 0.4853000      1.615000      ?             ?      
1 1 1 11 57 16 o 0.3930000      1.649000      ?             ?      
1 1 1 11 57 17 o 0.7181000      1.353000      ?             ?      
1 1 1 11 57 18 o 1.482000       1.818000      ?             ?      
1 1 1 11 57 19 o -0.1746000     1.809000      ?             ?      
1 1 1 11 57 20 o 0.7408000      1.425000      ?             ?      
1 1 1 11 57 21 o -2.150000      1.420000      ?             ?      
1 1 1 11 57 22 o -1.983000      2.064000      ?             ?      
1 1 1 11 57 23 o 0.4349000      2.221000      ?             ?      
1 1 1 11 57 24 o 1.115000       2.355000      ?             ?      
1 1 1 11 57 25 o 2.728000       2.394000      ?             ?      
1 1 1 11 57 26 o 0.6151000      2.410000      ?             ?      
1 1 1 11 57 27 o 3.777000       2.426000      ?             ?      
1 1 1 11 57 28 o 2.711000       2.145000      ?             ?      
1 1 1 11 57 29 o 4.302000       2.694000      ?             ?      
1 1 1 11 57 30 o -3.146000      3.151000      ?             ?      
1 1 1 11 57 31 o 1.621000       3.106000      ?             ?      
1 1 1 11 57 32 o 0.8529000      2.479000      ?             ?      
1 1 1 11 57 33 o -0.4327000     2.466000      ?             ?      
1 1 1 11 57 34 o -0.1662000E-01 2.527000      ?             ?      
1 1 1 11 57 35 o -3.888000      4.174000      ?             ?      
1 1 1 11 57 37 f -0.3820000     2.576000      ?             ?      
1 1 1 11 57 38 o 1.044000       2.622000      ?             ?      
1 1 1 11 58 0  o 2.197000       1.227000      ?             ?      
1 1 1 11 58 1  o 1.163000       0.8905000     ?             ?      
1 1 1 11 58 2  o 4.286000       0.9672000     ?             ?      
1 1 1 11 58 3  o 1.332000       1.080000      ?             ?      
1 1 1 11 58 4  o 0.2471000      0.8463000     ?             ?      
1 1 1 11 58 5  o 1.578000       0.8349000     ?             ?      
1 1 1 11 58 6  o 0.7560000      0.8208000     ?             ?      
1 1 1 11 58 7  o 2.516000       0.9765000     ?             ?      
1 1 1 11 58 8  o -0.8109000     0.7894000     ?             ?      
1 1 1 11 58 9  o -0.1745000     0.6843000     ?             ?      
1 1 1 11 58 10 o 0.8973000E-01  0.8977000     ?             ?      
1 1 1 11 58 11 o -0.4267000E-01 0.8599000     ?             ?      
1 1 1 11 58 12 o 0.9809000      0.8120000     ?             ?      
1 1 1 11 58 13 o 0.3311000      1.324000      ?             ?      
1 1 1 11 58 14 o 6.532000       1.650000      ?             ?      
1 1 1 11 58 15 o -0.2100000     1.613000      ?             ?      
1 1 1 11 58 16 o 0.1398000      1.436000      ?             ?      
1 1 1 11 58 17 o -0.3574000     1.339000      ?             ?      
1 1 1 11 58 18 o -2.387000      1.772000      ?             ?      
1 1 1 11 58 19 o -0.3520000     1.790000      ?             ?      
1 1 1 11 58 20 o 2.076000       1.430000      ?             ?      
1 1 1 11 58 21 o 1.802000       2.088000      ?             ?      
1 1 1 11 58 22 f -1.844000      2.376000      ?             ?      
1 1 1 11 58 23 o 2.766000       2.253000      ?             ?      
1 1 1 11 58 24 o -0.4781000     2.267000      ?             ?      
1 1 1 11 58 25 o -0.5289000     1.833000      ?             ?      
1 1 1 11 58 26 o 0.2562000      2.408000      ?             ?      
1 1 1 11 58 27 o 0.4791000      2.371000      ?             ?      
1 1 1 11 58 28 o -1.816000      2.396000      ?             ?      
1 1 1 11 58 29 o 2.670000       2.436000      ?             ?      
1 1 1 11 58 30 o 0.6534000      2.462000      ?             ?      
1 1 1 11 58 31 o 2.624000       2.523000      ?             ?      
1 1 1 11 58 32 o -3.327000      2.526000      ?             ?      
1 1 1 11 58 33 o 2.126000       3.303000      ?             ?      
1 1 1 11 58 34 o 3.226000       3.598000      ?             ?      
1 1 1 11 58 36 o -4.080000      2.702000      ?             ?      
1 1 1 11 59 0  o 1.820000       1.215000      ?             ?      
1 1 1 11 59 1  o 0.4759000E-01  0.8643000     ?             ?      
1 1 1 11 59 2  o 1.065000       0.9191000     ?             ?      
1 1 1 11 59 3  o 1.847000       0.9839000     ?             ?      
1 1 1 11 59 4  o -0.4662000E-02 0.8265000     ?             ?      
1 1 1 11 59 5  o -0.2069000     0.8061000     ?             ?      
1 1 1 11 59 6  o 0.4435000      0.8004000     ?             ?      
1 1 1 11 59 7  o 1.992000       0.8307000     ?             ?      
1 1 1 11 59 8  o -1.216000      0.7854000     ?             ?      
1 1 1 11 59 9  o 1.035000       0.6855000     ?             ?      
1 1 1 11 59 10 o -0.6169000     0.9014000     ?             ?      
1 1 1 11 59 11 o 3.856000       0.8820000     ?             ?      
1 1 1 11 59 12 o 0.2059000      0.7993000     ?             ?      
1 1 1 11 59 13 o 0.7680000      1.308000      ?             ?      
1 1 1 11 59 14 o 0.2479000      1.583000      ?             ?      
1 1 1 11 59 15 o 1.444000       1.625000      ?             ?      
1 1 1 11 59 16 o -1.557000      1.437000      ?             ?      
1 1 1 11 59 17 o 0.3727000      1.803000      ?             ?      
1 1 1 11 59 18 o 2.790000       1.827000      ?             ?      
1 1 1 11 59 19 o 2.467000       1.423000      ?             ?      
1 1 1 11 59 20 o 0.7762000      1.411000      ?             ?      
1 1 1 11 59 21 o 2.254000       2.521000      ?             ?      
1 1 1 11 59 22 o -0.1368000     2.331000      ?             ?      
1 1 1 11 59 23 o -0.4275000E-01 2.377000      ?             ?      
1 1 1 11 59 24 o -1.063000      2.359000      ?             ?      
1 1 1 11 59 25 < 0.000000       -1.000000     ?             ?      
1 1 1 11 59 26 o 0.5057000      2.477000      ?             ?      
1 1 1 11 59 27 o 3.115000       3.739000      ?             ?      
1 1 1 11 59 28 o 4.272000       3.818000      ?             ?      
1 1 1 11 59 29 o -2.315000      2.475000      ?             ?      
1 1 1 11 59 30 o 1.681000       2.507000      ?             ?      
1 1 1 11 59 31 o 3.707000       2.547000      ?             ?      
1 1 1 11 59 32 o -0.9526000     2.497000      ?             ?      
1 1 1 11 59 33 o 0.1735000      2.595000      ?             ?      
1 1 1 11 60 0  o 0.8626000      1.191000      ?             ?      
1 1 1 11 60 1  o -0.6165000     0.8483000     ?             ?      
1 1 1 11 60 2  o -0.5101000     1.032000      ?             ?      
1 1 1 11 60 3  o -0.5805000     0.8024000     ?             ?      
1 1 1 11 60 4  o -0.4136000     0.8244000     ?             ?      
1 1 1 11 60 5  o 0.1636000      0.8073000     ?             ?      
1 1 1 11 60 6  o -1.115000      0.7984000     ?             ?      
1 1 1 11 60 7  o 1.574000       0.8077000     ?             ?      
1 1 1 11 60 8  o 1.469000       0.7795000     ?             ?      
1 1 1 11 60 9  o 0.2683000      0.6838000     ?             ?      
1 1 1 11 60 10 o 0.5538000E-01  0.9252000     ?             ?      
1 1 1 11 60 11 o 1.762000       0.8657000     ?             ?      
1 1 1 11 60 12 o -0.2721000     0.9188000     ?             ?      
1 1 1 11 60 13 o 1.392000       1.325000      ?             ?      
1 1 1 11 60 14 o 0.7055000E-01  1.602000      ?             ?      
1 1 1 11 60 15 o 2.004000       1.637000      ?             ?      
1 1 1 11 60 16 o 0.3493000      1.343000      ?             ?      
1 1 1 11 60 17 o 2.433000       1.845000      ?             ?      
1 1 1 11 60 18 o 3.091000       1.838000      ?             ?      
1 1 1 11 60 19 o 0.6783000E-01  0.9983000     ?             ?      
1 1 1 11 60 20 o -0.1972000     0.9595000     ?             ?      
1 1 1 11 60 21 o 2.378000       2.350000      ?             ?      
1 1 1 11 60 22 o -2.427000      2.321000      ?             ?      
1 1 1 11 60 23 o 0.6947000      2.391000      ?             ?      
1 1 1 11 60 24 o -0.4313000     2.420000      ?             ?      
1 1 1 11 60 25 o 2.506000       2.408000      ?             ?      
1 1 1 11 60 26 o -0.6692000     2.414000      ?             ?      
1 1 1 11 60 27 o -3.185000      2.429000      ?             ?      
1 1 1 11 60 28 < 0.000000       -1.000000     ?             ?      
1 1 1 11 60 29 o -1.767000      2.483000      ?             ?      
1 1 1 11 60 30 o 3.509000       2.526000      ?             ?      
1 1 1 11 60 31 o -2.901000      3.874000      ?             ?      
1 1 1 11 61 0  o -0.4730000     1.279000      ?             ?      
1 1 1 11 61 1  o -0.2838000     0.9427000     ?             ?      
1 1 1 11 61 2  o 0.3773000      1.374000      ?             ?      
1 1 1 11 61 3  o 2.109000       0.8346000     ?             ?      
1 1 1 11 61 4  o 1.482000       0.8559000     ?             ?      
1 1 1 11 61 5  o 0.1940000      0.8545000     ?             ?      
1 1 1 11 61 6  o 1.075000       0.8017000     ?             ?      
1 1 1 11 61 7  o -0.4548000E-01 0.8148000     ?             ?      
1 1 1 11 61 8  o -0.1598000E-01 0.7900000     ?             ?      
1 1 1 11 61 9  o 0.3939000E-01  0.6926000     ?             ?      
1 1 1 11 61 10 o 0.7420000      1.035000      ?             ?      
1 1 1 11 61 11 o 0.5844000E-01  0.8975000     ?             ?      
1 1 1 11 61 12 o -1.412000      1.647000      ?             ?      
1 1 1 11 61 13 o -0.2702000     1.650000      ?             ?      
1 1 1 11 61 14 o -4.986000      1.924000      ?             ?      
1 1 1 11 61 15 o 0.6494000      2.132000      ?             ?      
1 1 1 11 61 16 o -0.6214000     0.9784000     ?             ?      
1 1 1 11 61 17 o 0.8352000      1.002000      ?             ?      
1 1 1 11 61 18 o 1.325000       1.021000      ?             ?      
1 1 1 11 61 19 o -0.2620000     0.9727000     ?             ?      
1 1 1 11 61 20 o -3.061000      2.831000      ?             ?      
1 1 1 11 61 21 < 0.000000       -1.000000     ?             ?      
1 1 1 11 61 22 o 1.732000       2.368000      ?             ?      
1 1 1 11 61 23 o 0.9411000      2.386000      ?             ?      
1 1 1 11 61 24 o 2.270000       2.403000      ?             ?      
1 1 1 11 61 25 o 1.469000       2.443000      ?             ?      
1 1 1 11 61 26 o 3.046000       2.441000      ?             ?      
1 1 1 11 61 27 < 0.000000       -1.000000     ?             ?      
1 1 1 11 61 28 < 0.000000       -1.000000     ?             ?      
1 1 1 11 62 0  o -0.6749000     1.281000      ?             ?      
1 1 1 11 62 1  o 1.213000       0.9198000     ?             ?      
1 1 1 11 62 2  o 1.483000       1.050000      ?             ?      
1 1 1 11 62 3  o 1.890000       0.8281000     ?             ?      
1 1 1 11 62 4  o 0.3657000      0.8544000     ?             ?      
1 1 1 11 62 5  o 1.532000       0.8533000     ?             ?      
1 1 1 11 62 6  o 0.1437000E-01  0.9626000     ?             ?      
1 1 1 11 62 7  o -0.2420000     0.8116000     ?             ?      
1 1 1 11 62 8  o 0.4622000      0.7891000     ?             ?      
1 1 1 11 62 9  o 0.5935000      0.7027000     ?             ?      
1 1 1 11 62 10 o -0.5584000     0.9232000     ?             ?      
1 1 1 11 62 11 o 0.7144000      0.8816000     ?             ?      
1 1 1 11 62 12 o 1.341000       1.585000      ?             ?      
1 1 1 11 62 13 o 0.6028000      1.659000      ?             ?      
1 1 1 11 62 14 o 2.043000       1.905000      ?             ?      
1 1 1 11 62 15 o -0.1193000     1.966000      ?             ?      
1 1 1 11 62 16 o 2.476000       1.780000      ?             ?      
1 1 1 11 62 17 o 2.799000       1.849000      ?             ?      
1 1 1 11 62 18 o 0.1640000      1.814000      ?             ?      
1 1 1 11 62 19 o 1.215000       2.910000      ?             ?      
1 1 1 11 62 20 o -1.120000      2.294000      ?             ?      
1 1 1 11 62 21 o 1.017000       2.321000      ?             ?      
1 1 1 11 62 22 o -1.249000      2.373000      ?             ?      
1 1 1 11 62 23 o 1.607000       2.390000      ?             ?      
1 1 1 11 62 24 o -1.851000      2.422000      ?             ?      
1 1 1 11 62 25 o 0.9105000      2.454000      ?             ?      
1 1 1 11 62 26 < 0.000000       -1.000000     ?             ?      
1 1 1 11 63 0  o -0.5440000     1.286000      ?             ?      
1 1 1 11 63 1  o 1.066000       0.9220000     ?             ?      
1 1 1 11 63 2  o 0.8383000      1.043000      ?             ?      
1 1 1 11 63 3  o 1.908000       0.8251000     ?             ?      
1 1 1 11 63 4  o 0.7659000      0.8487000     ?             ?      
1 1 1 11 63 5  o -0.1525000     0.8375000     ?             ?      
1 1 1 11 63 6  o 1.035000       0.9373000     ?             ?      
1 1 1 11 63 7  o -0.8777000     0.8063000     ?             ?      
1 1 1 11 63 8  o 0.6001000      0.7876000     ?             ?      
1 1 1 11 63 9  o 0.4801000      0.8940000     ?             ?      
1 1 1 11 63 10 o -0.7506000     0.9456000     ?             ?      
1 1 1 11 63 11 o -0.6347000     0.9939000     ?             ?      
1 1 1 11 63 12 o 1.655000       1.645000      ?             ?      
1 1 1 11 63 13 o -2.950000      1.621000      ?             ?      
1 1 1 11 63 14 o 0.1367000      1.918000      ?             ?      
1 1 1 11 63 15 o 0.4827000      1.478000      ?             ?      
1 1 1 11 63 16 o 0.6860000      1.701000      ?             ?      
1 1 1 11 63 17 o -1.784000      1.720000      ?             ?      
1 1 1 11 63 18 o -1.024000      2.238000      ?             ?      
1 1 1 11 63 19 o 0.5523000      2.983000      ?             ?      
1 1 1 11 63 20 < 0.000000       -1.000000     ?             ?      
1 1 1 11 63 21 o 2.567000       2.160000      ?             ?      
1 1 1 11 63 22 o -1.337000      2.148000      ?             ?      
1 1 1 11 64 0  o 0.2749000      1.315000      ?             ?      
1 1 1 11 64 1  o -0.9959000     0.9219000     ?             ?      
1 1 1 11 64 2  o -0.6632000     0.9762000     ?             ?      
1 1 1 11 64 3  o -0.9127000     0.8126000     ?             ?      
1 1 1 11 64 4  o -0.6789000     0.8487000     ?             ?      
1 1 1 11 64 5  o -0.1657000     0.8399000     ?             ?      
1 1 1 11 64 6  o -0.7413000     0.8823000     ?             ?      
1 1 1 11 64 7  o 0.9815000      0.9202000     ?             ?      
1 1 1 11 64 8  o 0.4571000      0.7908000     ?             ?      
1 1 1 11 64 9  o 0.4481000      0.9393000     ?             ?      
1 1 1 11 64 10 f 1.962000       0.9468000     ?             ?      
1 1 1 11 64 11 o 1.459000       1.039000      ?             ?      
1 1 1 11 64 12 o 1.322000       1.758000      ?             ?      
1 1 1 11 64 13 o 0.6128000      1.190000      ?             ?      
1 1 1 11 64 14 o 1.273000       1.949000      ?             ?      
1 1 1 11 64 15 o -0.5096000     1.795000      ?             ?      
1 1 1 11 64 16 o -4.669000      1.778000      ?             ?      
1 1 1 11 64 17 o 1.972000       3.422000      ?             ?      
1 1 1 11 64 18 o -2.057000      2.286000      ?             ?      
1 1 1 11 65 0  o -0.8941000     1.640000      ?             ?      
1 1 1 11 65 1  o -0.3269000     1.125000      ?             ?      
1 1 1 11 65 2  o -0.7369000     0.9940000     ?             ?      
1 1 1 11 65 3  o -0.4086000     0.8188000     ?             ?      
1 1 1 11 65 4  o 1.400000       0.9505000     ?             ?      
1 1 1 11 65 5  o 0.1706000E-01  0.9241000     ?             ?      
1 1 1 11 65 6  o 0.5196000      1.183000      ?             ?      
1 1 1 11 65 7  o -0.4311000     1.018000      ?             ?      
1 1 1 11 65 8  o -0.1660000E-01 0.8361000     ?             ?      
1 1 1 11 65 9  o -1.718000      0.9942000     ?             ?      
1 1 1 11 65 10 o -0.1691000     1.655000      ?             ?      
1 1 1 11 65 11 o 0.4491000      1.736000      ?             ?      
1 1 1 11 65 12 o -1.242000      1.745000      ?             ?      
1 1 1 11 65 13 o 4.219000       2.022000      ?             ?      
1 1 1 11 66 0  o -0.3054000     1.641000      ?             ?      
1 1 1 11 66 1  o 2.861000       1.658000      ?             ?      
1 1 1 11 66 2  o -1.113000      1.388000      ?             ?      
1 1 1 11 66 3  o 0.5482000      1.267000      ?             ?      
1 1 1 11 66 4  o 0.8130000      1.653000      ?             ?      
1 1 1 12 0  5  o 994.5000       31.86000      3425.645      -90.0  
1 1 1 12 0  6  o 67.50000       2.801000      895.2673      0.0    
1 1 1 12 0  7  o 89.47000       2.987000      1168.101      90.0   
1 1 1 12 0  8  o 63.46000       1.881000      1410.356      -180.0 
1 1 1 12 0  9  o 1.156000       0.4584000     519.8743      -90.0  
1 1 1 12 0  10 o 89.97000       2.612000      1144.298      -0.0   
1 1 1 12 0  11 o 56.65000       1.732000      1842.446      -90.0  
1 1 1 12 0  12 o 137.7000       3.935000      1839.023      0.0    
1 1 1 12 0  13 o 5.503000       0.6203000     250.9080      -90.0  
1 1 1 12 0  14 o 162.9000       4.647000      1857.383      180.0  
1 1 1 12 0  15 o 22.04000       0.9716000     831.9877      -90.0  
1 1 1 12 0  16 o 127.7000       3.722000      1712.175      0.0    
1 1 1 12 0  17 o 83.69000       2.551000      1029.212      -90.0  
1 1 1 12 0  18 o 139.0000       4.052000      1654.256      0.0    
1 1 1 12 0  19 o 11.04000       0.9240000     376.9454      -90.0  
1 1 1 12 0  20 o 480.7000       13.45000      3086.706      0.0    
1 1 1 12 0  21 o 212.2000       6.111000      1883.898      90.0   
1 1 1 12 0  22 o 83.17000       2.671000      1765.196      -180.0 
1 1 1 12 0  23 o 6.298000       1.110000      39.40442      -90.0  
1 1 1 12 0  24 o 77.73000       2.597000      1448.093      180.0  
1 1 1 12 0  25 o 58.05000       2.178000      557.8813      -90.0  
1 1 1 12 0  26 o 274.8000       7.894000      2373.513      180.0  
1 1 1 12 0  27 o 4.738000       1.652000      127.2148      90.0   
1 1 1 12 0  28 o 109.8000       3.602000      842.4811      0.0    
1 1 1 12 0  29 o 54.26000       2.679000      619.5422      -90.0  
1 1 1 12 0  30 o 112.4000       7.408000      1385.193      0.0    
1 1 1 12 0  31 o 982.6000       54.88000      4029.976      90.0   
1 1 1 12 0  32 o 85.25000       3.694000      1287.826      -180.0 
1 1 1 12 0  33 o 462.5000       13.14000      2988.199      -90.0  
1 1 1 12 0  34 o 16.14000       1.908000      348.0982      -0.0   
1 1 1 12 0  35 o 95.25000       3.325000      1814.838      90.0   
1 1 1 12 0  36 o 481.5000       13.65000      3170.946      0.0    
1 1 1 12 0  37 o 334.7000       9.639000      2531.064      90.0   
1 1 1 12 0  38 o 20.26000       1.741000      769.1693      180.0  
1 1 1 12 0  39 o 16.89000       1.654000      621.8345      90.0   
1 1 1 12 0  40 o 30.85000       1.876000      1059.916      180.0  
1 1 1 12 0  41 o 118.4000       3.865000      1442.108      90.0   
1 1 1 12 0  42 o 0.7704000      1.496000      361.0516      0.0    
1 1 1 12 0  43 o 46.01000       2.478000      946.2029      -90.0  
1 1 1 12 0  44 o 24.71000       1.840000      684.1853      180.0  
1 1 1 12 0  45 o 141.9000       5.275000      1626.338      -90.0  
1 1 1 12 0  46 o 34.65000       2.406000      907.0256      180.0  
1 1 1 12 0  47 o 28.30000       2.712000      938.4485      90.0   
1 1 1 12 0  48 o 9.580000       3.478000      449.3738      -180.0 
1 1 1 12 0  49 o 22.09000       4.467000      625.5728      -90.0  
1 1 1 12 0  50 o 81.78000       4.344000      1420.510      180.0  
1 1 1 12 0  51 o 10.08000       1.810000      543.8911      -90.0  
1 1 1 12 0  52 o 0.7933000      1.726000      55.41425      180.0  
1 1 1 12 0  53 o 0.9529000      1.760000      2.831345      -90.0  
1 1 1 12 0  54 o 7.516000       1.870000      419.6379      -0.0   
1 1 1 12 0  55 o 77.40000       3.197000      1325.256      90.0   
1 1 1 12 0  56 o 75.10000       3.192000      1425.425      180.0  
1 1 1 12 0  57 o 53.86000       2.746000      1154.976      90.0   
1 1 1 12 0  58 o 7.700000       2.000000      130.2078      -180.0 
1 1 1 12 0  59 o 4.162000       1.975000      181.4334      90.0   
1 1 1 12 0  60 o 10.10000       2.040000      611.7504      0.0    
1 1 1 12 0  61 o 2.810000       1.973000      ?             ?      
1 1 1 12 0  62 o 20.42000       2.213000      ?             ?      
1 1 1 12 0  63 o 56.80000       3.295000      ?             ?      
1 1 1 12 0  64 o 0.3286000      2.945000      ?             ?      
1 1 1 12 0  65 o 5.118000       2.739000      ?             ?      
1 1 1 12 0  66 o 0.9633000      1.885000      ?             ?      
1 1 1 12 0  67 o 0.9603000      1.876000      ?             ?      
1 1 1 12 0  68 o 3.000000       1.942000      ?             ?      
1 1 1 12 0  69 o 32.64000       2.393000      ?             ?      
1 1 1 12 0  70 o 1.851000       1.914000      ?             ?      
1 1 1 12 0  71 o 3.872000       1.923000      ?             ?      
1 1 1 12 0  72 o 2.075000       1.918000      ?             ?      
1 1 1 12 0  73 o 2.261000       1.956000      ?             ?      
1 1 1 12 0  74 o 3.640000       1.982000      ?             ?      
1 1 1 12 0  75 o 6.837000       2.052000      ?             ?      
1 1 1 12 1  3  o 14.74000       1.899000      602.7223      152.6  
1 1 1 12 1  4  o 157.2000       4.473000      1764.387      87.5   
1 1 1 12 1  5  o 169.7000       5.816000      1978.474      -86.5  
1 1 1 12 1  6  o 143.6000       4.057000      1581.677      12.0   
1 1 1 12 1  7  o 270.4000       5.364000      1969.361      77.8   
1 1 1 12 1  8  o 33.17000       0.8189000     1148.759      -8.4   
1 1 1 12 1  9  o 410.1000       8.071000      3060.131      -49.6  
1 1 1 12 1  10 o 136.8000       2.752000      2111.881      -6.4   
1 1 1 12 1  11 o 65.28000       1.391000      990.5419      58.3   
1 1 1 12 1  12 o 30.38000       0.7680000     962.5568      29.2   
1 1 1 12 1  13 o 248.8000       4.949000      2272.724      -11.3  
1 1 1 12 1  14 o 5.779000       0.4648000     653.8857      -31.1  
1 1 1 12 1  15 o 83.25000       1.772000      1177.249      -171.3 
1 1 1 12 1  16 o 52.04000       1.214000      1261.457      -153.9 
1 1 1 12 1  17 o 137.3000       2.822000      1914.706      68.1   
1 1 1 12 1  18 o 157.5000       3.219000      2009.446      84.7   
1 1 1 12 1  19 o 9.342000       0.6332000     569.8326      167.3  
1 1 1 12 1  20 o 39.63000       1.089000      956.3201      177.8  
1 1 1 12 1  21 o 223.8000       4.538000      2079.931      -161.9 
1 1 1 12 1  22 o 140.6000       2.955000      1559.310      -9.7   
1 1 1 12 1  23 o 154.5000       3.238000      1618.092      63.6   
1 1 1 12 1  24 o 23.12000       0.9964000     426.7720      -99.9  
1 1 1 12 1  25 o 201.5000       4.164000      2217.571      -151.4 
1 1 1 12 1  26 o 133.2000       2.900000      1377.377      -122.4 
1 1 1 12 1  27 o 462.3000       9.234000      2864.478      -106.8 
1 1 1 12 1  28 o 57.67000       1.673000      908.3499      -148.3 
1 1 1 12 1  29 o 237.0000       5.324000      2408.654      128.5  
1 1 1 12 1  30 o 123.0000       4.612000      1358.371      -94.4  
1 1 1 12 1  31 o 48.57000       3.025000      757.0231      160.8  
1 1 1 12 1  32 o 87.85000       2.709000      1285.152      75.7   
1 1 1 12 1  33 o 96.65000       2.646000      1290.565      -85.3  
1 1 1 12 1  34 o 276.6000       5.720000      2261.694      -98.4  
1 1 1 12 1  35 o 126.0000       2.903000      1482.435      72.5   
1 1 1 12 1  36 o 3.618000       1.160000      186.9364      58.8   
1 1 1 12 1  37 o 18.52000       1.252000      480.3600      -56.2  
1 1 1 12 1  38 o 188.4000       4.025000      1792.945      -140.5 
1 1 1 12 1  39 o 6.776000       1.096000      240.3907      -109.3 
1 1 1 12 1  40 o 19.40000       1.277000      571.1877      -88.3  
1 1 1 12 1  41 o 28.51000       1.378000      1116.475      48.1   
1 1 1 12 1  42 o 6.324000       1.078000      447.8461      63.9   
1 1 1 12 1  43 o 30.12000       1.431000      767.3498      4.4    
1 1 1 12 1  44 o 2.017000       1.205000      104.7668      -85.0  
1 1 1 12 1  45 o 22.80000       1.539000      814.4366      -119.3 
1 1 1 12 1  46 o 49.06000       1.771000      1096.446      -4.2   
1 1 1 12 1  47 o 3.219000       1.305000      277.9792      166.2  
1 1 1 12 1  48 o 35.47000       2.383000      947.3546      66.5   
1 1 1 12 1  49 o 19.75000       2.371000      627.3372      -27.8  
1 1 1 12 1  50 o 8.032000       1.531000      434.0796      101.7  
1 1 1 12 1  51 o 23.95000       1.421000      623.5515      -114.2 
1 1 1 12 1  52 o 27.19000       1.554000      536.6204      13.3   
1 1 1 12 1  53 o 13.43000       1.418000      494.1973      146.6  
1 1 1 12 1  54 o 38.31000       1.660000      817.3311      -84.6  
1 1 1 12 1  55 o 10.92000       1.406000      570.2354      166.7  
1 1 1 12 1  56 o 63.49000       2.092000      ?             ?      
1 1 1 12 1  57 o 9.658000       1.440000      458.6144      -161.9 
1 1 1 12 1  58 o 4.474000       1.412000      301.2343      20.6   
1 1 1 12 1  59 o 16.36000       1.488000      607.4847      110.1  
1 1 1 12 1  60 o 8.923000       1.443000      ?             ?      
1 1 1 12 1  61 o 5.977000       1.428000      ?             ?      
1 1 1 12 1  62 o 9.666000       1.458000      ?             ?      
1 1 1 12 1  63 o 9.380000       1.852000      ?             ?      
1 1 1 12 1  64 o 8.119000       2.496000      ?             ?      
1 1 1 12 1  65 o 0.4477000      2.253000      ?             ?      
1 1 1 12 1  66 o 1.961000       1.440000      ?             ?      
1 1 1 12 1  67 o 14.11000       1.440000      ?             ?      
1 1 1 12 1  68 o 5.308000       1.364000      ?             ?      
1 1 1 12 1  69 o 2.585000       1.351000      ?             ?      
1 1 1 12 1  70 o -0.1258000     1.319000      ?             ?      
1 1 1 12 1  71 o 2.389000       1.333000      ?             ?      
1 1 1 12 1  72 o 2.419000       1.351000      ?             ?      
1 1 1 12 1  73 o 0.8236000      1.379000      ?             ?      
1 1 1 12 1  74 o 0.2314000      1.403000      ?             ?      
1 1 1 12 1  75 o 2.899000       2.009000      ?             ?      
1 1 1 12 2  1  o 429.9000       24.11000      2425.934      -2.6   
1 1 1 12 2  2  o 6.926000       1.536000      543.6462      103.0  
1 1 1 12 2  3  o 258.8000       8.909000      1579.087      -84.9  
1 1 1 12 2  4  o 14.84000       0.7303000     427.0457      -14.2  
1 1 1 12 2  5  o 28.33000       1.168000      763.3483      22.4   
1 1 1 12 2  6  o 133.9000       3.497000      1721.052      80.2   
1 1 1 12 2  7  o 12.00000       0.4917000     863.7753      175.7  
1 1 1 12 2  8  o 13.51000       0.4939000     625.4868      132.2  
1 1 1 12 2  9  o 61.89000       1.317000      1632.892      31.5   
1 1 1 12 2  10 o 366.7000       7.229000      2447.829      1.9    
1 1 1 12 2  11 o 4.952000       0.3830000     318.9135      63.9   
1 1 1 12 2  12 o 7.792000       0.4319000     435.7704      -26.8  
1 1 1 12 2  13 o 50.66000       1.144000      862.4155      141.8  
1 1 1 12 2  14 o 84.46000       1.785000      1035.946      85.0   
1 1 1 12 2  15 o 147.1000       2.997000      1496.957      -43.8  
1 1 1 12 2  16 o 99.09000       2.085000      1946.072      160.7  
1 1 1 12 2  17 o 1.722000       0.5209000     685.1707      15.6   
1 1 1 12 2  18 o 40.82000       1.053000      1130.850      -177.8 
1 1 1 12 2  19 o 34.53000       0.9724000     899.1880      -28.3  
1 1 1 12 2  20 o 152.5000       3.152000      1438.877      48.9   
1 1 1 12 2  21 o 210.6000       4.283000      1883.694      136.7  
1 1 1 12 2  22 o 196.7000       4.034000      2088.513      -161.2 
1 1 1 12 2  23 o 121.9000       2.638000      1798.852      18.0   
1 1 1 12 2  24 o 8.542000       0.8650000     397.2286      -4.5   
1 1 1 12 2  25 o 22.78000       1.060000      721.6239      -131.1 
1 1 1 12 2  26 o 103.8000       2.375000      1687.513      -175.3 
1 1 1 12 2  27 o 4.906000       1.016000      361.8358      142.3  
1 1 1 12 2  28 o 251.1000       5.592000      2003.559      -4.4   
1 1 1 12 2  29 o 233.0000       5.604000      2429.049      -36.2  
1 1 1 12 2  30 o 19.51000       1.990000      955.3619      -164.2 
1 1 1 12 2  31 f 20.27000       2.365000      473.8791      90.7   
1 1 1 12 2  32 o 59.78000       2.399000      1033.123      -76.4  
1 1 1 12 2  33 o 84.75000       2.437000      1119.834      -66.3  
1 1 1 12 2  34 o 263.7000       5.476000      2588.669      101.6  
1 1 1 12 2  35 o 103.5000       2.492000      1274.617      14.9   
1 1 1 12 2  36 o 60.45000       1.779000      973.1918      -111.6 
1 1 1 12 2  37 o 125.2000       2.870000      1560.653      160.7  
1 1 1 12 2  38 o 89.28000       2.415000      1507.769      -11.9  
1 1 1 12 2  39 o 58.54000       1.857000      1018.697      173.9  
1 1 1 12 2  40 o 32.35000       1.480000      864.6867      143.9  
1 1 1 12 2  41 o 17.24000       1.280000      666.0507      14.0   
1 1 1 12 2  42 o 31.69000       1.440000      848.7981      -173.5 
1 1 1 12 2  43 o 9.996000       1.190000      408.2896      -92.6  
1 1 1 12 2  44 o 19.47000       1.201000      365.2137      -97.7  
1 1 1 12 2  45 o 4.013000       1.163000      233.2813      -104.8 
1 1 1 12 2  46 o 27.48000       1.364000      728.0494      110.3  
1 1 1 12 2  47 o 40.55000       1.920000      923.1702      118.5  
1 1 1 12 2  48 o 5.062000       1.847000      433.7531      -28.0  
1 1 1 12 2  49 o 93.12000       4.008000      ?             ?      
1 1 1 12 2  50 o 29.86000       2.129000      774.2565      21.6   
1 1 1 12 2  51 o 14.46000       1.640000      631.6121      -70.8  
1 1 1 12 2  52 o 9.896000       1.429000      508.9283      -101.4 
1 1 1 12 2  53 o 2.967000       1.286000      150.2109      96.8   
1 1 1 12 2  54 o 27.05000       1.614000      664.4767      -145.2 
1 1 1 12 2  55 o 2.943000       1.416000      232.1878      84.5   
1 1 1 12 2  56 o 25.82000       1.583000      881.8073      -150.2 
1 1 1 12 2  57 o 9.267000       1.448000      488.9847      32.1   
1 1 1 12 2  58 o 5.423000       1.407000      392.1659      -145.3 
1 1 1 12 2  59 o 10.21000       1.442000      389.4813      113.0  
1 1 1 12 2  60 f 11.40000       1.460000      ?             ?      
1 1 1 12 2  61 o 15.34000       1.523000      ?             ?      
1 1 1 12 2  62 o 19.01000       1.657000      ?             ?      
1 1 1 12 2  63 o 8.466000       1.872000      ?             ?      
1 1 1 12 2  64 o 5.458000       1.822000      ?             ?      
1 1 1 12 2  65 o 13.32000       1.845000      ?             ?      
1 1 1 12 2  66 o 14.97000       1.841000      ?             ?      
1 1 1 12 2  67 f 4.207000       1.365000      ?             ?      
1 1 1 12 2  68 o 4.093000       1.366000      ?             ?      
1 1 1 12 2  69 o 11.58000       1.435000      ?             ?      
1 1 1 12 2  70 o 2.373000       1.351000      ?             ?      
1 1 1 12 2  71 o 1.742000       1.354000      ?             ?      
1 1 1 12 2  72 o 4.145000       1.398000      ?             ?      
1 1 1 12 2  73 o 1.402000       1.400000      ?             ?      
1 1 1 12 2  75 o 2.688000       1.453000      ?             ?      
1 1 1 12 3  0  o 179.8000       10.38000      1531.225      -0.0   
1 1 1 12 3  1  o 12.51000       1.763000      713.2567      125.8  
1 1 1 12 3  2  o 114.6000       4.099000      1214.540      17.2   
1 1 1 12 3  3  o 51.99000       1.654000      1206.651      103.9  
1 1 1 12 3  4  o 22.98000       1.718000      723.5728      -59.9  
1 1 1 12 3  5  o 16.51000       0.8447000     431.1551      -113.1 
1 1 1 12 3  6  o 120.2000       3.017000      1070.737      46.0   
1 1 1 12 3  7  o 406.3000       9.233000      2659.820      78.9   
1 1 1 12 3  8  o 332.2000       7.064000      2295.312      -30.5  
1 1 1 12 3  9  o 164.5000       3.547000      1389.526      16.3   
1 1 1 12 3  10 o 112.7000       2.289000      1658.364      48.2   
1 1 1 12 3  11 o 36.47000       0.8615000     672.2968      63.3   
1 1 1 12 3  12 o 1.927000       0.3828000     399.4139      -72.5  
1 1 1 12 3  13 o 17.27000       0.5774000     769.5342      -128.8 
1 1 1 12 3  14 o 33.60000       0.8678000     955.4445      -166.8 
1 1 1 12 3  15 o 306.9000       6.096000      2806.112      -178.2 
1 1 1 12 3  16 o 72.27000       1.584000      1718.996      131.9  
1 1 1 12 3  17 o 49.82000       1.196000      1020.814      -73.7  
1 1 1 12 3  18 o 174.3000       3.548000      1522.984      61.0   
1 1 1 12 3  19 o 1.844000       0.5828000     361.0240      132.6  
1 1 1 12 3  20 o 13.16000       0.7237000     709.4760      136.3  
1 1 1 12 3  21 o 88.58000       1.982000      1189.583      -60.8  
1 1 1 12 3  22 o 230.1000       4.675000      2003.841      142.5  
1 1 1 12 3  23 o 2.864000       0.7849000     282.9609      169.5  
1 1 1 12 3  24 o 214.0000       4.392000      2081.514      -50.8  
1 1 1 12 3  25 o 242.4000       4.953000      2310.118      -118.8 
1 1 1 12 3  26 o 401.0000       8.031000      2752.790      -95.2  
1 1 1 12 3  27 f 16.50000       1.106000      1170.464      173.3  
1 1 1 12 3  28 o 49.02000       1.777000      1090.697      77.6   
1 1 1 12 3  29 o 77.21000       2.840000      1325.829      131.6  
1 1 1 12 3  30 o 20.74000       1.541000      500.2263      104.3  
1 1 1 12 3  31 o 263.6000       6.315000      2237.682      -71.1  
1 1 1 12 3  32 o 72.87000       2.560000      1021.505      12.7   
1 1 1 12 3  33 o 201.3000       5.001000      1862.215      167.2  
1 1 1 12 3  34 o 15.21000       1.384000      731.5541      -28.3  
1 1 1 12 3  35 o 8.852000       1.259000      196.6973      85.5   
1 1 1 12 3  36 o 56.88000       1.854000      843.1337      148.4  
1 1 1 12 3  37 o 4.902000       1.117000      121.2514      -42.5  
1 1 1 12 3  38 o 96.64000       2.566000      1146.018      -62.1  
1 1 1 12 3  39 o 12.23000       1.269000      620.6321      49.8   
1 1 1 12 3  40 o 50.97000       1.734000      927.4667      -86.5  
1 1 1 12 3  41 o 100.2000       2.431000      1491.472      77.5   
1 1 1 12 3  42 o 35.90000       1.492000      803.5149      32.0   
1 1 1 12 3  43 o 25.45000       1.353000      667.7480      -49.8  
1 1 1 12 3  44 o 12.56000       1.143000      685.3532      -48.9  
1 1 1 12 3  45 o 12.05000       1.147000      354.6139      38.2   
1 1 1 12 3  46 o 23.16000       1.350000      769.0008      55.5   
1 1 1 12 3  47 o 31.13000       1.776000      788.2048      5.1    
1 1 1 12 3  48 o 10.84000       1.364000      454.9421      -0.3   
1 1 1 12 3  49 o 26.67000       1.536000      899.3367      62.7   
1 1 1 12 3  50 o 20.16000       2.352000      747.2661      -43.2  
1 1 1 12 3  51 o 9.860000       1.473000      528.2762      29.8   
1 1 1 12 3  52 o 63.51000       2.173000      1116.008      -32.8  
1 1 1 12 3  53 o 8.035000       1.424000      348.8364      -35.0  
1 1 1 12 3  54 o 21.25000       1.587000      638.8411      -70.3  
1 1 1 12 3  55 o 18.47000       1.577000      579.8485      139.3  
1 1 1 12 3  56 o 21.39000       1.631000      705.4845      -140.3 
1 1 1 12 3  57 o 17.12000       1.602000      658.0262      -3.1   
1 1 1 12 3  58 o 6.232000       1.436000      337.2578      -41.9  
1 1 1 12 3  59 o 3.602000       1.407000      252.1536      74.3   
1 1 1 12 3  61 o 17.35000       1.543000      ?             ?      
1 1 1 12 3  62 o 20.59000       1.791000      ?             ?      
1 1 1 12 3  63 o 5.081000       1.817000      ?             ?      
1 1 1 12 3  64 o 0.1590000      1.556000      ?             ?      
1 1 1 12 3  65 o 7.459000       1.847000      ?             ?      
1 1 1 12 3  66 o 10.65000       1.879000      ?             ?      
1 1 1 12 3  67 o 1.086000       1.459000      ?             ?      
1 1 1 12 3  68 o 4.675000       1.368000      ?             ?      
1 1 1 12 3  69 o 6.346000       1.389000      ?             ?      
1 1 1 12 3  70 o 5.850000       1.390000      ?             ?      
1 1 1 12 3  71 o 1.800000       1.353000      ?             ?      
1 1 1 12 3  72 o 7.207000       1.426000      ?             ?      
1 1 1 12 3  73 o 0.8004000      1.400000      ?             ?      
1 1 1 12 3  74 o 1.648000       1.431000      ?             ?      
1 1 1 12 3  75 o 4.988000       1.578000      ?             ?      
1 1 1 12 4  0  o 1.429000       1.372000      126.3803      -0.0   
1 1 1 12 4  1  o 32.33000       2.575000      1070.489      150.8  
1 1 1 12 4  2  o 37.37000       1.669000      745.3686      -135.5 
1 1 1 12 4  3  o 30.06000       1.453000      836.4553      -107.7 
1 1 1 12 4  4  o 150.7000       5.274000      1503.564      95.9   
1 1 1 12 4  5  o 56.80000       1.713000      1070.351      62.3   
1 1 1 12 4  6  o 46.99000       1.348000      1430.407      -159.3 
1 1 1 12 4  7  f 35.10000       1.159000      966.7854      98.4   
1 1 1 12 4  8  o 79.30000       1.780000      1357.757      158.7  
1 1 1 12 4  9  o 33.62000       0.8717000     940.0775      166.1  
1 1 1 12 4  10 o 0.1778000      0.3867000     285.9895      45.5   
1 1 1 12 4  11 o 19.33000       0.5794000     783.2315      -143.6 
1 1 1 12 4  12 o 30.28000       0.7715000     880.6133      67.1   
1 1 1 12 4  13 o 39.51000       0.9483000     619.9739      43.2   
1 1 1 12 4  14 o 82.04000       1.745000      1448.064      -67.5  
1 1 1 12 4  15 o 88.20000       1.873000      1839.004      -161.6 
1 1 1 12 4  16 o 64.50000       1.448000      1172.355      -150.1 
1 1 1 12 4  17 o 53.51000       1.265000      1004.044      36.3   
1 1 1 12 4  18 o 4.429000       0.5787000     507.8804      -135.1 
1 1 1 12 4  19 o 42.14000       1.113000      851.0534      70.3   
1 1 1 12 4  20 o 56.20000       1.374000      1318.175      162.9  
1 1 1 12 4  21 o 62.09000       1.514000      1003.860      94.5   
1 1 1 12 4  22 o 97.16000       2.165000      1559.126      -161.8 
1 1 1 12 4  23 o 46.24000       1.310000      1074.800      122.3  
1 1 1 12 4  24 o 17.04000       0.9498000     468.5641      171.3  
1 1 1 12 4  25 o 4.359000       0.9143000     503.6591      -98.8  
1 1 1 12 4  26 o 187.4000       3.942000      1690.029      -15.7  
1 1 1 12 4  27 o 80.94000       2.035000      1277.684      -40.1  
1 1 1 12 4  28 o 118.0000       3.103000      2028.447      -76.7  
1 1 1 12 4  29 o 65.13000       2.552000      1173.692      -144.2 
1 1 1 12 4  30 o 260.7000       5.857000      2304.907      168.4  
1 1 1 12 4  31 o 51.49000       1.842000      1024.837      -124.0 
1 1 1 12 4  32 o 81.77000       2.882000      1230.399      170.5  
1 1 1 12 4  33 o 24.06000       1.837000      927.1730      -131.8 
1 1 1 12 4  34 o 29.78000       1.518000      939.2626      -90.7  
1 1 1 12 4  35 o 74.72000       2.008000      983.7817      -165.0 
1 1 1 12 4  36 o 44.45000       1.901000      761.7857      -24.7  
1 1 1 12 4  37 o 75.66000       2.178000      1199.104      -131.6 
1 1 1 12 4  38 o 32.60000       1.472000      617.5919      165.6  
1 1 1 12 4  39 f 47.94000       1.574000      800.7440      168.1  
1 1 1 12 4  40 o 5.768000       1.169000      374.6354      -97.0  
1 1 1 12 4  41 o 38.91000       1.538000      795.3318      -51.7  
1 1 1 12 4  42 o 113.3000       2.671000      1595.260      -161.3 
1 1 1 12 4  43 o 73.11000       1.972000      1265.786      74.8   
1 1 1 12 4  44 o 24.78000       1.270000      836.5314      26.5   
1 1 1 12 4  45 o 26.45000       1.301000      620.2875      72.4   
1 1 1 12 4  46 o 17.93000       1.512000      714.6568      14.8   
1 1 1 12 4  47 o 32.48000       1.821000      768.0406      89.8   
1 1 1 12 4  48 o 2.574000       1.209000      281.3380      139.2  
1 1 1 12 4  49 o 69.10000       2.163000      1150.160      -145.2 
1 1 1 12 4  50 o 7.343000       1.647000      445.3034      57.3   
1 1 1 12 4  51 o 7.933000       1.703000      276.8661      26.7   
1 1 1 12 4  52 o 23.47000       1.665000      646.3185      149.4  
1 1 1 12 4  53 o 57.06000       2.055000      1173.653      -8.8   
1 1 1 12 4  54 o 32.84000       1.606000      846.4976      179.6  
1 1 1 12 4  55 o -0.3313000     1.442000      61.54945      98.7   
1 1 1 12 4  56 o 11.23000       1.573000      399.5944      -125.0 
1 1 1 12 4  57 o 3.301000       1.531000      214.8999      -107.4 
1 1 1 12 4  58 o 5.983000       1.433000      368.9113      -60.6  
1 1 1 12 4  59 o 17.20000       1.617000      680.9409      28.1   
1 1 1 12 4  60 o 13.97000       1.519000      ?             ?      
1 1 1 12 4  61 o 6.255000       1.535000      ?             ?      
1 1 1 12 4  62 o 9.270000       1.864000      ?             ?      
1 1 1 12 4  63 o 2.248000       1.607000      ?             ?      
1 1 1 12 4  64 o 5.077000       1.397000      ?             ?      
1 1 1 12 4  65 o 5.362000       1.503000      ?             ?      
1 1 1 12 4  66 o 0.1040000      1.693000      ?             ?      
1 1 1 12 4  67 o 2.185000       1.462000      ?             ?      
1 1 1 12 4  68 o 0.9199000      1.339000      ?             ?      
1 1 1 12 4  69 o 1.936000       1.349000      ?             ?      
1 1 1 12 4  70 o 6.714000       1.404000      ?             ?      
1 1 1 12 4  71 o 5.654000       1.387000      ?             ?      
1 1 1 12 4  72 o 1.967000       1.388000      ?             ?      
1 1 1 12 4  73 o 2.120000       1.410000      ?             ?      
1 1 1 12 4  74 o -0.5225000     1.403000      ?             ?      
1 1 1 12 4  75 o 3.498000       1.563000      ?             ?      
1 1 1 12 5  0  o 20.42000       1.200000      863.0812      -0.0   
1 1 1 12 5  1  o 11.62000       0.9900000     781.1368      -149.8 
1 1 1 12 5  2  o 0.2499000      0.8376000     512.3904      -84.4  
1 1 1 12 5  4  o 34.92000       1.079000      752.7256      -53.2  
1 1 1 12 5  5  o 54.32000       1.556000      1223.584      125.2  
1 1 1 12 5  6  o 10.42000       0.5295000     424.8549      -137.4 
1 1 1 12 5  7  o 3.840000       0.4433000     89.71665      -77.9  
1 1 1 12 5  8  o 91.59000       2.178000      1666.392      -125.4 
1 1 1 12 5  9  o 58.49000       1.620000      949.7198      46.5   
1 1 1 12 5  10 o 50.46000       1.209000      1017.115      -10.7  
1 1 1 12 5  11 o 59.95000       1.521000      1102.779      61.4   
1 1 1 12 5  12 o 28.24000       0.8797000     807.0926      -73.0  
1 1 1 12 5  13 o 17.90000       0.6007000     1213.693      111.2  
1 1 1 12 5  14 o 99.86000       2.086000      1359.823      -45.0  
1 1 1 12 5  15 f 16.52000       0.6244000     835.7813      17.2   
1 1 1 12 5  16 o 73.59000       1.616000      1523.843      121.6  
1 1 1 12 5  17 o 18.59000       0.7069000     797.6061      -134.0 
1 1 1 12 5  18 o 312.4000       6.231000      2583.305      164.1  
1 1 1 12 5  19 o 32.18000       0.9622000     631.5172      34.0   
1 1 1 12 5  20 o 50.28000       1.292000      1037.400      164.0  
1 1 1 12 5  21 o 130.5000       2.768000      1595.253      6.5    
1 1 1 12 5  22 o 70.56000       1.691000      1398.449      178.3  
1 1 1 12 5  23 o 225.8000       4.619000      2473.605      -45.5  
1 1 1 12 5  24 o 74.67000       1.822000      1006.945      148.8  
1 1 1 12 5  25 o 68.72000       1.755000      1077.036      123.4  
1 1 1 12 5  26 o 81.33000       2.008000      1623.795      -30.1  
1 1 1 12 5  27 o 18.81000       1.316000      660.0779      -129.9 
1 1 1 12 5  28 o 96.24000       3.226000      1413.403      -8.3   
1 1 1 12 5  29 o 128.0000       3.391000      1859.291      -93.3  
1 1 1 12 5  30 o 12.52000       1.399000      741.5574      43.3   
1 1 1 12 5  31 o 169.6000       4.587000      2030.091      -79.2  
1 1 1 12 5  32 o 197.4000       4.607000      2237.149      -26.6  
1 1 1 12 5  33 o 0.2213000      1.532000      228.8721      -75.4  
1 1 1 12 5  34 o 64.41000       2.427000      1346.723      -68.8  
1 1 1 12 5  35 o 13.56000       1.391000      469.9832      56.3   
1 1 1 12 5  36 o 33.08000       1.487000      875.6726      -47.4  
1 1 1 12 5  37 o 40.75000       1.485000      717.0074      70.4   
1 1 1 12 5  38 o 89.18000       2.399000      1404.757      -64.6  
1 1 1 12 5  39 o 6.514000       1.094000      433.7372      86.4   
1 1 1 12 5  40 o 3.293000       1.062000      200.5799      -9.3   
1 1 1 12 5  41 o 43.79000       1.504000      792.6128      29.7   
1 1 1 12 5  42 o 36.15000       1.390000      939.5548      107.5  
1 1 1 12 5  43 o 6.228000       1.082000      227.4867      -58.4  
1 1 1 12 5  44 o 35.51000       1.402000      1077.244      143.7  
1 1 1 12 5  45 o 13.26000       1.220000      603.4802      130.8  
1 1 1 12 5  46 o 15.46000       1.513000      487.0319      49.2   
1 1 1 12 5  47 o 118.8000       3.276000      ?             ?      
1 1 1 12 5  48 o 2.475000       1.147000      177.7794      -62.4  
1 1 1 12 5  49 o 3.600000       1.171000      342.4376      -161.7 
1 1 1 12 5  50 o 3.533000       1.292000      239.7476      -46.5  
1 1 1 12 5  51 o 22.91000       1.799000      645.9004      54.2   
1 1 1 12 5  52 o 11.13000       1.423000      430.3344      9.2    
1 1 1 12 5  53 o 19.44000       1.431000      689.8046      -104.9 
1 1 1 12 5  54 o 11.93000       1.377000      436.5635      -13.9  
1 1 1 12 5  55 o 12.16000       1.485000      488.7589      -96.3  
1 1 1 12 5  56 o 3.874000       1.407000      403.0870      -48.8  
1 1 1 12 5  57 o 4.846000       1.533000      311.5788      57.0   
1 1 1 12 5  58 o 3.122000       1.520000      208.9895      -58.1  
1 1 1 12 5  59 o 27.94000       1.773000      902.3068      46.7   
1 1 1 12 5  60 o 38.21000       1.798000      ?             ?      
1 1 1 12 5  61 o 3.223000       1.624000      ?             ?      
1 1 1 12 5  62 o 7.923000       1.881000      ?             ?      
1 1 1 12 5  63 o 2.262000       1.485000      ?             ?      
1 1 1 12 5  64 o 1.094000       1.360000      ?             ?      
1 1 1 12 5  65 o 5.588000       1.500000      ?             ?      
1 1 1 12 5  66 o 4.080000       1.811000      ?             ?      
1 1 1 12 5  67 o 1.278000       1.782000      ?             ?      
1 1 1 12 5  68 o -2.580000      1.430000      ?             ?      
1 1 1 12 5  69 o 10.32000       1.430000      ?             ?      
1 1 1 12 5  70 o 2.594000       1.371000      ?             ?      
1 1 1 12 5  71 o 1.541000       1.350000      ?             ?      
1 1 1 12 5  72 o 4.896000       1.407000      ?             ?      
1 1 1 12 5  73 o -0.8499000     1.396000      ?             ?      
1 1 1 12 5  74 o 1.522000       1.428000      ?             ?      
1 1 1 12 5  75 o -1.507000      2.321000      ?             ?      
1 1 1 12 6  0  o -0.5179000     0.6197000     127.4461      -0.0   
1 1 1 12 6  2  o 10.01000       0.6827000     659.7012      166.2  
1 1 1 12 6  3  o 4.796000       0.4485000     529.5360      17.6   
1 1 1 12 6  4  o 28.03000       0.9683000     1017.399      -126.7 
1 1 1 12 6  5  o 2.911000       0.3866000     169.2782      126.1  
1 1 1 12 6  6  o 39.94000       1.296000      1247.368      -103.8 
1 1 1 12 6  7  o 5.655000       0.4868000     376.6788      -122.4 
1 1 1 12 6  8  o 92.79000       2.707000      1347.324      154.1  
1 1 1 12 6  9  o 14.45000       0.6721000     756.6090      175.6  
1 1 1 12 6  10 o 30.50000       0.8313000     931.0966      118.3  
1 1 1 12 6  11 o 116.4000       2.581000      1560.293      55.2   
1 1 1 12 6  12 o 13.31000       0.5178000     713.4328      164.5  
1 1 1 12 6  13 o 9.842000       0.4920000     348.8818      72.8   
1 1 1 12 6  14 o 62.96000       1.399000      1465.760      -163.3 
1 1 1 12 6  15 o 30.66000       0.8415000     635.1866      -7.5   
1 1 1 12 6  16 o 35.17000       0.9455000     1166.956      -7.3   
1 1 1 12 6  17 o 16.45000       0.7213000     771.0745      -140.8 
1 1 1 12 6  18 o 20.20000       0.7693000     698.8987      -36.9  
1 1 1 12 6  19 o 11.90000       0.7009000     266.1618      -130.9 
1 1 1 12 6  20 o 74.34000       1.713000      1726.901      105.1  
1 1 1 12 6  21 o 35.32000       1.088000      769.7292      -179.9 
1 1 1 12 6  22 o 46.30000       1.294000      1109.099      -169.8 
1 1 1 12 6  23 o 30.94000       1.098000      965.1625      -168.9 
1 1 1 12 6  24 o 18.03000       0.9698000     547.5346      137.7  
1 1 1 12 6  25 o 36.62000       1.261000      463.9166      -73.9  
1 1 1 12 6  26 o 49.75000       1.609000      1108.642      171.9  
1 1 1 12 6  27 o 69.56000       2.142000      1278.296      139.3  
1 1 1 12 6  28 o 151.3000       5.714000      1805.734      -0.9   
1 1 1 12 6  29 o 186.4000       5.181000      1744.063      135.7  
1 1 1 12 6  30 o 20.53000       1.331000      489.1846      122.2  
1 1 1 12 6  31 o 51.49000       1.894000      949.4086      163.4  
1 1 1 12 6  32 o 18.64000       1.516000      650.7278      -141.1 
1 1 1 12 6  33 o 83.32000       2.824000      1219.111      7.0    
1 1 1 12 6  34 o 23.50000       1.737000      823.3803      -122.9 
1 1 1 12 6  35 o 5.338000       1.394000      202.1438      168.7  
1 1 1 12 6  36 o 8.393000       1.212000      107.2329      -143.6 
1 1 1 12 6  37 o 7.653000       1.110000      498.5176      -129.2 
1 1 1 12 6  38 o 16.24000       1.159000      774.2256      -177.3 
1 1 1 12 6  39 o 5.433000       1.169000      573.6768      -17.2  
1 1 1 12 6  40 o 5.866000       1.066000      325.5585      -90.0  
1 1 1 12 6  41 o 45.27000       1.517000      924.8191      -112.7 
1 1 1 12 6  42 o 1.970000       1.042000      147.1436      -115.4 
1 1 1 12 6  43 o 26.85000       1.270000      716.0946      68.5   
1 1 1 12 6  44 o -0.2533000     1.055000      220.7754      -77.5  
1 1 1 12 6  45 o 12.19000       1.304000      494.4609      163.4  
1 1 1 12 6  46 o 5.844000       1.421000      459.8470      102.9  
1 1 1 12 6  47 o 37.07000       1.615000      717.2797      154.8  
1 1 1 12 6  48 o 17.07000       1.273000      506.3779      119.0  
1 1 1 12 6  49 o 0.3720000      1.152000      123.4769      -96.0  
1 1 1 12 6  50 o 4.194000       1.292000      278.1763      -73.6  
1 1 1 12 6  51 o 9.958000       1.746000      568.4505      133.0  
1 1 1 12 6  52 o 5.016000       1.752000      210.1611      -28.2  
1 1 1 12 6  53 o 36.92000       1.772000      834.7844      38.1   
1 1 1 12 6  54 o 11.81000       1.371000      432.0051      -179.7 
1 1 1 12 6  55 o 3.936000       1.351000      276.8482      51.7   
1 1 1 12 6  56 o 7.077000       1.410000      193.0257      -95.6  
1 1 1 12 6  57 o 12.79000       1.567000      464.4561      175.8  
1 1 1 12 6  58 o 0.2366000      1.479000      263.8231      -98.1  
1 1 1 12 6  59 o 19.26000       1.659000      676.7637      42.8   
1 1 1 12 6  60 o 7.131000       1.650000      ?             ?      
1 1 1 12 6  61 o 7.860000       1.853000      ?             ?      
1 1 1 12 6  62 o 2.872000       1.791000      ?             ?      
1 1 1 12 6  63 o 2.408000       1.475000      ?             ?      
1 1 1 12 6  64 o 5.086000       1.459000      ?             ?      
1 1 1 12 6  65 o 1.050000       1.357000      ?             ?      
1 1 1 12 6  66 o 0.8311000      1.464000      ?             ?      
1 1 1 12 6  67 o -0.4220000     1.677000      ?             ?      
1 1 1 12 6  68 o 2.518000       1.473000      ?             ?      
1 1 1 12 6  69 o 2.785000       1.355000      ?             ?      
1 1 1 12 6  70 o 0.9064000      1.351000      ?             ?      
1 1 1 12 6  71 o 3.845000       1.371000      ?             ?      
1 1 1 12 6  72 o 0.9807000      1.379000      ?             ?      
1 1 1 12 6  73 o 4.187000       1.431000      ?             ?      
1 1 1 12 6  74 o 1.501000       1.530000      ?             ?      
1 1 1 12 6  75 o 4.550000       2.819000      ?             ?      
1 1 1 12 7  0  o 0.8787000      0.6336000     142.4473      -0.0   
1 1 1 12 7  2  o 13.46000       0.9021000     831.5920      -113.0 
1 1 1 12 7  3  o 26.85000       0.7780000     1003.696      -46.4  
1 1 1 12 7  4  o 9.351000       0.5102000     489.4587      -104.6 
1 1 1 12 7  5  o 9.023000       0.4863000     464.9429      76.6   
1 1 1 12 7  6  o 21.19000       0.7290000     669.2579      162.4  
1 1 1 12 7  7  o 4.891000       0.4820000     461.5618      -149.1 
1 1 1 12 7  8  o 14.30000       0.6649000     712.8233      -41.7  
1 1 1 12 7  9  o 23.97000       0.8745000     867.1138      29.8   
1 1 1 12 7  10 o 4.461000       0.4653000     559.9026      145.2  
1 1 1 12 7  11 o 54.57000       1.418000      1328.741      -47.3  
1 1 1 12 7  12 o 8.609000       0.5449000     299.8221      -170.6 
1 1 1 12 7  13 o 4.350000       0.4884000     371.8830      123.0  
1 1 1 12 7  14 o 30.70000       0.8268000     1063.669      3.8    
1 1 1 12 7  15 f 19.21000       0.6719000     917.8520      38.5   
1 1 1 12 7  16 o 101.8000       2.158000      1633.236      163.7  
1 1 1 12 7  17 o 64.58000       1.606000      1417.570      68.5   
1 1 1 12 7  18 o 9.570000       0.6441000     379.3935      -63.3  
1 1 1 12 7  19 o 60.81000       1.459000      957.9711      75.1   
1 1 1 12 7  20 o 41.29000       1.263000      1236.188      75.6   
1 1 1 12 7  21 o 27.81000       0.9860000     537.2034      -54.4  
1 1 1 12 7  22 o 131.8000       2.823000      1782.339      -115.2 
1 1 1 12 7  23 o 47.24000       1.349000      881.1732      -172.6 
1 1 1 12 7  24 o 0.9138000      0.8555000     177.3517      43.4   
1 1 1 12 7  25 o 67.21000       1.920000      1258.007      -62.0  
1 1 1 12 7  26 o 14.30000       1.400000      754.7257      -135.2 
1 1 1 12 7  27 o 29.68000       1.751000      940.4830      -99.0  
1 1 1 12 7  28 o 14.35000       1.638000      510.9667      40.5   
1 1 1 12 7  29 o 10.10000       1.382000      271.8408      -89.6  
1 1 1 12 7  30 o 26.59000       1.489000      882.3824      179.6  
1 1 1 12 7  31 o 24.39000       1.486000      733.0639      -73.8  
1 1 1 12 7  32 o 31.44000       1.492000      817.0294      -46.4  
1 1 1 12 7  33 o 10.61000       1.345000      317.8243      -150.7 
1 1 1 12 7  34 o 8.315000       1.498000      268.8393      -77.1  
1 1 1 12 7  35 o 12.06000       1.401000      508.8926      -34.1  
1 1 1 12 7  36 o 23.25000       1.377000      714.1658      41.1   
1 1 1 12 7  37 o 4.781000       1.078000      279.7670      -153.5 
1 1 1 12 7  38 o 12.15000       1.112000      438.0376      117.0  
1 1 1 12 7  39 o 4.596000       1.059000      214.9393      -70.2  
1 1 1 12 7  40 o 3.339000       1.046000      246.7558      36.5   
1 1 1 12 7  41 o 5.093000       1.051000      413.6142      56.6   
1 1 1 12 7  42 o 5.589000       1.120000      446.6194      110.6  
1 1 1 12 7  43 o 6.394000       1.064000      371.5958      -177.3 
1 1 1 12 7  44 o 8.458000       1.147000      437.9142      158.4  
1 1 1 12 7  45 o 13.19000       1.442000      564.9041      -74.0  
1 1 1 12 7  46 o 1.599000       1.238000      247.9568      -84.9  
1 1 1 12 7  47 o 34.17000       1.574000      765.7338      -67.7  
1 1 1 12 7  48 o 13.83000       1.241000      447.2162      90.3   
1 1 1 12 7  49 o 1.939000       1.170000      232.2290      157.1  
1 1 1 12 7  50 o 7.347000       1.335000      462.1197      18.8   
1 1 1 12 7  51 o 0.2222000      1.337000      57.20398      -107.6 
1 1 1 12 7  52 o 16.34000       1.803000      582.8992      -124.3 
1 1 1 12 7  53 o 7.339000       1.432000      396.7757      -62.8  
1 1 1 12 7  54 o 7.410000       1.363000      473.1632      74.3   
1 1 1 12 7  55 o 1.126000       1.351000      213.2568      -131.5 
1 1 1 12 7  56 o 6.814000       1.401000      369.8246      -178.9 
1 1 1 12 7  57 o 3.673000       1.406000      277.5288      57.9   
1 1 1 12 7  58 o 0.7398000      1.394000      184.3057      -131.1 
1 1 1 12 7  59 o 2.081000       1.460000      321.7819      8.1    
1 1 1 12 7  60 o 0.3698000      1.595000      ?             ?      
1 1 1 12 7  61 f -0.7795000     1.723000      ?             ?      
1 1 1 12 7  62 o 3.436000       1.770000      ?             ?      
1 1 1 12 7  63 o 5.393000       1.719000      ?             ?      
1 1 1 12 7  64 o 3.540000       1.472000      ?             ?      
1 1 1 12 7  65 o -1.024000      1.430000      ?             ?      
1 1 1 12 7  66 o -1.433000      1.520000      ?             ?      
1 1 1 12 7  67 o -0.8017000     1.686000      ?             ?      
1 1 1 12 7  68 o 0.3024000      1.550000      ?             ?      
1 1 1 12 7  69 o 1.361000       1.347000      ?             ?      
1 1 1 12 7  70 o 0.9840000      1.329000      ?             ?      
1 1 1 12 7  71 o 3.061000       1.380000      ?             ?      
1 1 1 12 7  72 o 0.5492000      1.375000      ?             ?      
1 1 1 12 7  73 o 2.068000       1.414000      ?             ?      
1 1 1 12 7  74 o 1.009000       1.627000      ?             ?      
1 1 1 12 8  0  o 1.346000       0.6593000     218.4253      0.0    
1 1 1 12 8  1  o 6.900000       1.210000      437.4887      7.0    
1 1 1 12 8  2  o 3.656000       0.4113000     332.9869      -55.9  
1 1 1 12 8  3  o 2.200000       0.4023000     366.3503      -33.0  
1 1 1 12 8  4  o 7.759000       0.4751000     698.3918      156.1  
1 1 1 12 8  5  o 2.032000       0.3888000     212.3047      -71.1  
1 1 1 12 8  6  o 1.710000       0.3912000     163.9980      -115.7 
1 1 1 12 8  7  o 5.815000       0.4522000     215.4391      -95.2  
1 1 1 12 8  8  o 5.870000       0.5523000     341.7697      39.9   
1 1 1 12 8  9  o 6.395000       0.5196000     431.6895      134.9  
1 1 1 12 8  10 o 11.36000       0.5921000     601.0690      60.3   
1 1 1 12 8  11 o 2.416000       0.4675000     480.6782      -87.0  
1 1 1 12 8  12 o 17.15000       0.7105000     751.2670      136.3  
1 1 1 12 8  13 o 4.917000       0.4535000     388.8102      150.3  
1 1 1 12 8  14 o 6.998000       0.4949000     324.0244      55.0   
1 1 1 12 8  15 o 13.08000       0.6043000     646.0446      50.8   
1 1 1 12 8  16 o 29.53000       0.9437000     903.9572      144.8  
1 1 1 12 8  17 o 12.40000       0.6555000     593.5011      -111.2 
1 1 1 12 8  18 o 18.50000       0.8373000     486.6965      14.1   
1 1 1 12 8  19 o 1.816000       0.6417000     128.1983      -100.6 
1 1 1 12 8  20 o 34.09000       1.060000      1057.110      -161.5 
1 1 1 12 8  21 o 50.91000       1.471000      1007.394      -140.3 
1 1 1 12 8  22 o 61.45000       1.577000      1227.184      2.6    
1 1 1 12 8  23 o 14.34000       1.032000      441.4823      121.6  
1 1 1 12 8  24 o 9.929000       0.9381000     340.9807      -71.4  
1 1 1 12 8  25 o -0.8645000E-01 0.9435000     285.1830      153.3  
1 1 1 12 8  26 o 6.767000       1.354000      383.8816      81.0   
1 1 1 12 8  27 o 39.83000       2.372000      967.6740      76.0   
1 1 1 12 8  28 o 62.16000       2.329000      1299.723      21.0   
1 1 1 12 8  29 o 19.00000       1.306000      747.5083      -177.5 
1 1 1 12 8  30 o 31.47000       1.542000      869.3264      107.6  
1 1 1 12 8  31 o 28.11000       1.465000      742.9944      -73.5  
1 1 1 12 8  32 o 24.52000       1.276000      704.5528      4.8    
1 1 1 12 8  33 o 3.418000       1.203000      230.6157      61.5   
1 1 1 12 8  34 o 22.10000       1.706000      800.6012      -83.9  
1 1 1 12 8  35 o 30.61000       1.835000      1057.801      143.9  
1 1 1 12 8  36 o 13.00000       1.267000      672.4531      -93.9  
1 1 1 12 8  37 o 2.918000       1.069000      203.0105      -101.1 
1 1 1 12 8  38 o 22.87000       1.230000      637.0897      -87.1  
1 1 1 12 8  39 o 27.86000       1.286000      720.6880      -115.9 
1 1 1 12 8  40 o 1.110000       1.033000      289.3457      42.2   
1 1 1 12 8  41 o 9.368000       1.075000      410.4968      -139.8 
1 1 1 12 8  42 o 1.673000       1.031000      180.6546      56.7   
1 1 1 12 8  43 o 3.521000       1.044000      376.1576      161.7  
1 1 1 12 8  44 o 1.234000       1.166000      181.7476      -178.7 
1 1 1 12 8  45 o 1.794000       1.397000      161.8669      -9.6   
1 1 1 12 8  46 o 2.794000       1.240000      143.0715      -80.8  
1 1 1 12 8  47 o 23.13000       1.314000      671.5704      171.2  
1 1 1 12 8  48 o 6.318000       1.175000      213.1111      67.0   
1 1 1 12 8  49 o 22.38000       1.357000      606.7722      163.2  
1 1 1 12 8  50 o 4.167000       1.232000      174.9462      -66.9  
1 1 1 12 8  51 o 1.107000       1.331000      78.96935      131.6  
1 1 1 12 8  52 o 1.926000       1.845000      255.7818      -58.5  
1 1 1 12 8  53 o 3.697000       1.799000      385.3555      33.0   
1 1 1 12 8  54 o 5.195000       1.646000      318.5920      -155.7 
1 1 1 12 8  55 o 16.56000       1.473000      464.6187      154.9  
1 1 1 12 8  56 o 2.778000       1.400000      310.3050      -156.9 
1 1 1 12 8  57 o 0.8394000      1.385000      84.09234      -116.9 
1 1 1 12 8  58 o 1.871000       1.389000      280.8524      112.9  
1 1 1 12 8  59 o 3.396000       1.391000      241.7829      -2.7   
1 1 1 12 8  60 o -0.7870000     1.569000      ?             ?      
1 1 1 12 8  61 o 1.953000       1.746000      ?             ?      
1 1 1 12 8  62 o 1.276000       1.448000      ?             ?      
1 1 1 12 8  63 o 6.455000       1.400000      ?             ?      
1 1 1 12 8  64 o 0.4848000      1.441000      ?             ?      
1 1 1 12 8  65 o 5.935000       1.658000      ?             ?      
1 1 1 12 8  66 o 1.663000       1.640000      ?             ?      
1 1 1 12 8  67 o -0.4889000     1.766000      ?             ?      
1 1 1 12 8  68 o 5.558000       2.320000      ?             ?      
1 1 1 12 8  69 o 0.1419000      1.524000      ?             ?      
1 1 1 12 8  70 o 2.450000       1.335000      ?             ?      
1 1 1 12 8  71 o 2.128000       1.359000      ?             ?      
1 1 1 12 8  72 o -1.050000      1.359000      ?             ?      
1 1 1 12 8  73 o -2.413000      1.489000      ?             ?      
1 1 1 12 8  74 o 1.765000       1.774000      ?             ?      
1 1 1 12 9  0  o -0.6399000     0.6017000     33.02274      -180.0 
1 1 1 12 9  1  o 2.392000       0.4382000     139.9925      45.3   
1 1 1 12 9  2  o 0.4107000      0.3912000     143.0992      -55.5  
1 1 1 12 9  3  o 5.069000       0.4494000     243.5016      167.3  
1 1 1 12 9  4  o 1.784000       0.3920000     185.9654      -169.9 
1 1 1 12 9  5  o 6.782000       0.4752000     218.5570      126.6  
1 1 1 12 9  6  f 0.3414000      0.4122000     242.7510      53.3   
1 1 1 12 9  7  o 0.5345000      0.4149000     229.3727      -0.0   
1 1 1 12 9  8  o 8.297000       0.5050000     504.6337      -54.5  
1 1 1 12 9  9  o 1.313000       0.4907000     299.8502      -177.8 
1 1 1 12 9  10 o 0.3617000      0.4984000     146.4051      -139.2 
1 1 1 12 9  11 o 15.46000       0.7056000     520.5002      -52.4  
1 1 1 12 9  12 o -0.9398000E-01 0.4812000     96.29339      -156.1 
1 1 1 12 9  13 o 2.351000       0.5160000     272.0887      131.4  
1 1 1 12 9  14 o 1.606000       0.4684000     163.0199      -68.0  
1 1 1 12 9  15 o 31.41000       0.9785000     883.2306      -176.7 
1 1 1 12 9  16 f 8.801000       0.5893000     447.0157      137.5  
1 1 1 12 9  17 o 65.27000       1.783000      1157.769      20.1   
1 1 1 12 9  18 o 17.13000       0.8340000     852.1287      -26.5  
1 1 1 12 9  19 o 7.971000       0.7958000     119.5277      154.3  
1 1 1 12 9  20 o 18.36000       0.9462000     367.1997      -61.8  
1 1 1 12 9  21 o 6.246000       0.8609000     390.7433      -117.7 
1 1 1 12 9  22 o 9.254000       0.8275000     213.4884      -84.4  
1 1 1 12 9  23 o 4.721000       0.9529000     405.6470      161.6  
1 1 1 12 9  24 o 7.143000       1.052000      405.7131      -38.8  
1 1 1 12 9  25 o 23.16000       1.474000      667.9889      123.8  
1 1 1 12 9  26 o 6.871000       1.533000      392.7868      -121.0 
1 1 1 12 9  27 o 2.869000       1.233000      264.9583      49.1   
1 1 1 12 9  28 o 33.65000       1.666000      711.6634      153.4  
1 1 1 12 9  29 o 38.96000       1.674000      719.2211      130.2  
1 1 1 12 9  30 o 7.119000       1.206000      266.3573      114.7  
1 1 1 12 9  31 o 16.34000       1.230000      508.0404      -167.2 
1 1 1 12 9  32 o -0.6220000     1.075000      248.4133      48.2   
1 1 1 12 9  33 o 9.785000       1.221000      528.5492      137.8  
1 1 1 12 9  34 o 2.975000       1.256000      261.0588      49.2   
1 1 1 12 9  35 o 11.85000       1.475000      498.7821      35.2   
1 1 1 12 9  36 o 9.118000       1.326000      234.9681      -114.9 
1 1 1 12 9  37 o 5.710000       1.181000      294.9195      -19.7  
1 1 1 12 9  38 o 2.699000       1.050000      137.0319      87.6   
1 1 1 12 9  39 o 10.86000       1.112000      370.0933      -14.0  
1 1 1 12 9  40 o 1.192000       1.027000      305.0624      -39.8  
1 1 1 12 9  41 o 7.190000       1.064000      282.0468      63.1   
1 1 1 12 9  42 o 1.402000       1.033000      126.2387      -29.7  
1 1 1 12 9  43 o 0.6024000      1.036000      198.3619      133.2  
1 1 1 12 9  44 o -1.873000      1.172000      84.76601      58.8   
1 1 1 12 9  45 o 9.074000       1.266000      431.5263      -89.7  
1 1 1 12 9  46 o 6.533000       1.133000      440.0100      -82.4  
1 1 1 12 9  47 o 2.991000       1.128000      225.3693      -140.1 
1 1 1 12 9  48 o 0.8166000      1.140000      207.4868      -155.9 
1 1 1 12 9  49 o -0.1693000     1.183000      84.14177      93.7   
1 1 1 12 9  50 o 10.25000       1.274000      438.3412      -152.3 
1 1 1 12 9  51 o 4.991000       1.351000      226.5403      -77.5  
1 1 1 12 9  52 o 6.505000       1.534000      245.0518      -9.4   
1 1 1 12 9  53 o 1.973000       1.718000      106.4373      58.9   
1 1 1 12 9  54 o 10.91000       1.501000      468.7477      150.8  
1 1 1 12 9  55 o 7.208000       1.420000      303.8266      -116.6 
1 1 1 12 9  56 o 0.3827000      1.373000      55.23537      -96.0  
1 1 1 12 9  57 o 4.499000       1.397000      197.6824      10.9   
1 1 1 12 9  58 o 3.690000       1.405000      308.8893      -71.6  
1 1 1 12 9  59 o 0.3030000      1.440000      101.0160      154.6  
1 1 1 12 9  60 o 2.977000       1.745000      ?             ?      
1 1 1 12 9  61 o -0.6198000     1.552000      ?             ?      
1 1 1 12 9  62 o 0.6678000      1.360000      ?             ?      
1 1 1 12 9  63 o 2.592000       1.376000      ?             ?      
1 1 1 12 9  64 o 0.3702000      1.425000      ?             ?      
1 1 1 12 9  65 o -0.1875000     1.344000      ?             ?      
1 1 1 12 9  66 f -0.8511000E-01 1.430000      ?             ?      
1 1 1 12 9  67 o 2.773000       1.654000      ?             ?      
1 1 1 12 9  68 o 0.6221000      1.775000      ?             ?      
1 1 1 12 9  69 o -0.5031000     1.651000      ?             ?      
1 1 1 12 9  70 o 1.092000       1.439000      ?             ?      
1 1 1 12 9  71 o 1.098000       1.448000      ?             ?      
1 1 1 12 9  72 o -2.762000      1.375000      ?             ?      
1 1 1 12 9  73 o -1.514000      1.591000      ?             ?      
1 1 1 12 9  74 o -3.992000      1.779000      ?             ?      
1 1 1 12 10 0  o -0.5051000     0.6815000     21.28040      0.0    
1 1 1 12 10 1  o 0.9728000E-01  0.4242000     113.4451      -142.5 
1 1 1 12 10 2  o 2.638000       0.4219000     171.7949      146.5  
1 1 1 12 10 3  o 0.9437000      0.4244000     118.1070      -111.3 
1 1 1 12 10 4  o 4.731000       0.4303000     379.9207      -37.0  
1 1 1 12 10 5  o 1.769000       0.4269000     243.2919      -28.5  
1 1 1 12 10 6  o 1.751000       0.4729000     120.8921      -169.0 
1 1 1 12 10 7  o 0.4055000      0.4353000     166.2260      113.9  
1 1 1 12 10 8  o 1.290000       0.4574000     200.3482      97.2   
1 1 1 12 10 9  o 0.8237000      0.4227000     73.49895      -12.4  
1 1 1 12 10 10 o 0.1858000      0.5140000     217.7206      -46.4  
1 1 1 12 10 11 o 3.341000       0.5705000     189.5883      -25.7  
1 1 1 12 10 12 o 2.302000       0.5166000     293.0191      114.5  
1 1 1 12 10 13 o 2.565000       0.5372000     393.3567      -36.8  
1 1 1 12 10 14 o 5.781000       0.6033000     151.2063      53.0   
1 1 1 12 10 15 o 1.563000       0.5081000     259.1662      -144.8 
1 1 1 12 10 16 o 4.545000       0.6150000     227.2678      105.1  
1 1 1 12 10 17 o 3.879000       0.6944000     117.0517      8.7    
1 1 1 12 10 18 o 2.459000       0.7163000     279.7169      38.2   
1 1 1 12 10 19 o 13.36000       0.9204000     438.8687      146.2  
1 1 1 12 10 20 o 2.607000       0.7266000     175.2874      -117.4 
1 1 1 12 10 21 o 5.350000       0.9547000     98.55509      63.2   
1 1 1 12 10 22 o 1.060000       0.8606000     239.7333      -73.3  
1 1 1 12 10 23 o 2.449000       0.9040000     308.6101      -60.5  
1 1 1 12 10 24 o 1.163000       0.9107000     123.2992      -103.5 
1 1 1 12 10 25 f 2.272000       1.190000      380.6839      160.9  
1 1 1 12 10 26 o 8.995000       1.534000      360.8636      160.6  
1 1 1 12 10 27 o 7.276000       1.228000      173.6655      75.1   
1 1 1 12 10 28 o 2.148000       1.145000      144.4798      -109.4 
1 1 1 12 10 29 o 8.217000       1.201000      66.33578      153.8  
1 1 1 12 10 30 o 4.734000       1.120000      199.0812      178.4  
1 1 1 12 10 31 o 11.09000       1.117000      148.9968      101.6  
1 1 1 12 10 32 o 7.596000       1.144000      321.6930      -56.3  
1 1 1 12 10 33 o 0.1870000      1.070000      161.7047      -173.6 
1 1 1 12 10 34 o 0.5557000      1.158000      15.26563      77.1   
1 1 1 12 10 35 o 2.565000       1.434000      157.2262      -118.0 
1 1 1 12 10 36 o 1.420000       1.302000      72.37513      -176.1 
1 1 1 12 10 37 o 2.647000       1.154000      136.4137      178.6  
1 1 1 12 10 38 o -0.8658000     1.027000      239.8235      -99.0  
1 1 1 12 10 39 o 2.912000       1.045000      320.1063      -179.3 
1 1 1 12 10 40 o 1.387000       1.040000      117.0038      47.2   
1 1 1 12 10 41 o 3.816000       1.043000      272.5519      -18.5  
1 1 1 12 10 42 o 5.153000       1.060000      149.3061      -157.2 
1 1 1 12 10 43 o 2.233000       1.148000      222.3952      172.0  
1 1 1 12 10 44 o 1.304000       1.334000      198.2146      -89.5  
1 1 1 12 10 45 o 2.504000       1.211000      161.5457      -24.7  
1 1 1 12 10 46 o 0.9288000      1.094000      102.1923      43.7   
1 1 1 12 10 47 o 0.4371000E-01  1.108000      151.9977      -148.5 
1 1 1 12 10 48 o 0.4997000      1.137000      12.58185      30.6   
1 1 1 12 10 49 o 1.426000       1.188000      112.9400      79.3   
1 1 1 12 10 50 o 1.800000       1.197000      171.8282      -121.4 
1 1 1 12 10 51 o 4.392000       1.256000      283.2038      -101.7 
1 1 1 12 10 52 o 4.301000       1.393000      263.6043      -13.5  
1 1 1 12 10 53 o 4.644000       1.912000      105.5698      169.7  
1 1 1 12 10 54 o 0.2141000      1.581000      109.2721      -142.9 
1 1 1 12 10 55 o 0.3387000      1.459000      233.9966      -142.4 
1 1 1 12 10 56 o 1.437000       1.372000      231.6504      -135.7 
1 1 1 12 10 57 o 0.4295000      1.382000      190.4886      56.8   
1 1 1 12 10 58 o 3.718000       1.412000      197.6335      -170.9 
1 1 1 12 10 59 o -0.4800000     1.527000      ?             ?      
1 1 1 12 10 60 o 6.233000       1.795000      ?             ?      
1 1 1 12 10 61 o -0.5880000     1.451000      ?             ?      
1 1 1 12 10 62 o 1.192000       1.354000      ?             ?      
1 1 1 12 10 63 o 0.6472000      1.348000      ?             ?      
1 1 1 12 10 64 o 3.027000       1.340000      ?             ?      
1 1 1 12 10 65 o 2.591000       1.351000      ?             ?      
1 1 1 12 10 66 o 3.000000       1.420000      ?             ?      
1 1 1 12 10 67 o 0.2057000      1.531000      ?             ?      
1 1 1 12 10 68 o -3.994000      1.886000      ?             ?      
1 1 1 12 10 69 o 1.660000       1.936000      ?             ?      
1 1 1 12 10 70 o 1.369000       1.650000      ?             ?      
1 1 1 12 10 71 o 3.478000       1.461000      ?             ?      
1 1 1 12 10 72 o 1.217000       1.950000      ?             ?      
1 1 1 12 10 73 o -0.9895000E-01 1.742000      ?             ?      
1 1 1 12 10 74 o -0.7492000     1.626000      ?             ?      
1 1 1 12 11 0  o -1.216000      0.4983000     188.5938      180.0  
1 1 1 12 11 1  o -0.1200000     0.4126000     21.93906      91.4   
1 1 1 12 11 2  o 0.3977000      0.4281000     130.3502      33.2   
1 1 1 12 11 3  o -0.6916000     0.4338000     144.8296      -167.3 
1 1 1 12 11 4  o 0.6102000      0.4128000     113.5794      57.4   
1 1 1 12 11 5  o -0.3714000     0.4438000     138.9154      -68.4  
1 1 1 12 11 6  o -0.4078000     0.4627000     140.1034      97.2   
1 1 1 12 11 7  o -0.7583000     0.4656000     41.37452      -79.9  
1 1 1 12 11 8  o 0.1372000      0.4716000     69.82034      140.9  
1 1 1 12 11 9  o 0.5058000      0.4362000     175.2373      107.5  
1 1 1 12 11 10 o 0.5253000      0.4844000     274.9144      76.4   
1 1 1 12 11 11 o 0.7197000      0.5645000     134.4159      110.8  
1 1 1 12 11 12 o 1.592000       0.5900000     35.56149      -119.6 
1 1 1 12 11 13 o 1.270000       0.5635000     115.4561      -46.6  
1 1 1 12 11 14 o 4.318000       0.6683000     131.5660      7.0    
1 1 1 12 11 15 o 1.167000       0.6154000     271.8709      -155.6 
1 1 1 12 11 16 o 7.850000       0.7146000     215.6181      169.2  
1 1 1 12 11 17 o 2.740000       0.5984000     171.3830      14.1   
1 1 1 12 11 18 o 3.298000       0.7080000     316.5105      -98.7  
1 1 1 12 11 19 o 0.5256000      0.7608000     283.0856      -146.7 
1 1 1 12 11 20 o 8.596000       0.8588000     550.4636      9.6    
1 1 1 12 11 21 o 0.8947000      0.7600000     55.00967      29.4   
1 1 1 12 11 22 o 3.558000       0.8144000     507.8907      -155.6 
1 1 1 12 11 23 o -0.2658000     0.9354000     174.0110      -86.5  
1 1 1 12 11 24 o 6.066000       1.048000      251.5545      16.1   
1 1 1 12 11 25 o 3.731000       1.192000      263.3552      -54.3  
1 1 1 12 11 26 o 13.50000       1.267000      593.4842      -123.9 
1 1 1 12 11 27 o 7.129000       1.132000      235.5019      -110.7 
1 1 1 12 11 28 o 7.987000       1.151000      117.9572      63.9   
1 1 1 12 11 29 o 12.03000       1.202000      525.3008      -149.0 
1 1 1 12 11 30 o 4.229000       1.059000      365.2677      151.3  
1 1 1 12 11 31 o 4.553000       1.056000      428.1325      3.4    
1 1 1 12 11 32 o 2.910000       1.060000      184.6507      120.3  
1 1 1 12 11 33 o 17.19000       1.186000      406.8352      -84.8  
1 1 1 12 11 34 o 5.963000       1.180000      527.9355      10.3   
1 1 1 12 11 35 o 7.586000       1.276000      189.9830      45.2   
1 1 1 12 11 36 o 1.996000       1.386000      264.5576      68.5   
1 1 1 12 11 37 o 0.2536000      1.247000      143.5415      10.5   
1 1 1 12 11 38 o 2.308000       1.143000      155.3759      176.1  
1 1 1 12 11 39 o 4.256000       1.064000      133.2137      -125.3 
1 1 1 12 11 40 o 3.905000       1.039000      118.7141      7.7    
1 1 1 12 11 41 o 4.448000       1.049000      243.6442      10.2   
1 1 1 12 11 42 o 2.164000       1.061000      76.25990      -89.7  
1 1 1 12 11 43 o 2.363000       1.189000      51.29475      128.1  
1 1 1 12 11 44 o -0.2100000     1.190000      51.08933      54.6   
1 1 1 12 11 45 o 2.150000       1.090000      309.4521      79.9   
1 1 1 12 11 46 o -1.226000      1.088000      71.27660      -127.8 
1 1 1 12 11 47 o 3.442000       1.149000      168.8104      85.1   
1 1 1 12 11 48 o 4.099000       1.170000      190.0751      -158.3 
1 1 1 12 11 49 o 2.249000       1.178000      198.8534      109.0  
1 1 1 12 11 50 o 0.3039000      1.181000      116.1100      132.5  
1 1 1 12 11 51 o 5.179000       1.243000      269.1580      62.4   
1 1 1 12 11 52 o 0.2349000E-01  1.375000      75.57274      -154.6 
1 1 1 12 11 53 f 4.589000       1.561000      90.94628      -39.1  
1 1 1 12 11 54 o 4.392000       1.806000      168.1182      -5.8   
1 1 1 12 11 55 o 2.975000       1.475000      210.5498      -16.9  
1 1 1 12 11 56 o 0.3880000      1.365000      149.2704      -81.1  
1 1 1 12 11 57 o 3.429000       1.396000      234.2484      32.3   
1 1 1 12 11 58 o 6.881000       1.507000      240.4420      122.3  
1 1 1 12 11 59 o 1.298000       1.746000      ?             ?      
1 1 1 12 11 60 o 2.870000       1.591000      ?             ?      
1 1 1 12 11 61 o 0.2219000      1.363000      ?             ?      
1 1 1 12 11 62 o 2.569000       1.352000      ?             ?      
1 1 1 12 11 63 o 1.905000       1.347000      ?             ?      
1 1 1 12 11 64 o 0.3227000E-01  1.331000      ?             ?      
1 1 1 12 11 65 o 3.120000       1.339000      ?             ?      
1 1 1 12 11 66 o 2.332000       1.340000      ?             ?      
1 1 1 12 11 67 o 1.353000       1.321000      ?             ?      
1 1 1 12 11 68 o 0.8288000      1.516000      ?             ?      
1 1 1 12 11 69 o -2.236000      2.173000      ?             ?      
1 1 1 12 11 70 o -2.882000      1.647000      ?             ?      
1 1 1 12 11 71 o 1.764000       1.485000      ?             ?      
1 1 1 12 11 72 o 1.456000       1.721000      ?             ?      
1 1 1 12 11 73 o -4.801000      2.622000      ?             ?      
1 1 1 12 11 74 o -0.4011000     1.798000      ?             ?      
1 1 1 12 12 0  o 0.7455000      0.5506000     187.6929      180.0  
1 1 1 12 12 1  o -0.4891000     0.3723000     162.5648      114.7  
1 1 1 12 12 2  o 0.5276000      0.4396000     261.6049      45.8   
1 1 1 12 12 3  o 1.260000       0.4223000     224.6199      106.3  
1 1 1 12 12 4  o 0.5184000      0.4393000     162.5789      11.3   
1 1 1 12 12 5  o 1.968000       0.4540000     425.5030      159.0  
1 1 1 12 12 6  o 1.845000       0.5137000     504.1918      57.5   
1 1 1 12 12 7  o 5.960000       0.5412000     587.0114      -155.4 
1 1 1 12 12 8  o 1.524000       0.5106000     244.4077      78.9   
1 1 1 12 12 9  o 1.968000       0.4711000     175.7426      162.6  
1 1 1 12 12 10 o -0.1978000     0.4608000     103.6930      138.8  
1 1 1 12 12 11 o 1.091000       0.5684000     171.5025      23.3   
1 1 1 12 12 12 o 2.352000       0.6210000     264.9892      -10.9  
1 1 1 12 12 13 o 2.842000       0.6163000     145.0631      106.5  
1 1 1 12 12 14 o 3.506000       0.6274000     299.8372      -115.6 
1 1 1 12 12 15 o 0.8628000      0.6728000     193.1419      132.5  
1 1 1 12 12 16 o 1.392000       0.6410000     207.1242      45.7   
1 1 1 12 12 17 o 0.2212000      0.6546000     98.02419      -130.8 
1 1 1 12 12 18 o 0.2693000      0.6843000     254.2424      129.8  
1 1 1 12 12 19 o -0.1025000     0.6746000     174.2884      175.4  
1 1 1 12 12 20 o 0.8029000      0.7993000     107.2381      -108.0 
1 1 1 12 12 21 o 4.768000       0.9307000     352.2527      62.5   
1 1 1 12 12 22 o 6.339000       0.8601000     139.3329      129.9  
1 1 1 12 12 23 o 5.321000       0.9906000     35.94748      26.7   
1 1 1 12 12 24 o 12.83000       1.113000      464.8335      -39.4  
1 1 1 12 12 25 o 1.680000       1.207000      243.8292      -11.3  
1 1 1 12 12 26 o 15.02000       1.273000      654.4862      110.2  
1 1 1 12 12 27 o 10.22000       1.277000      686.0403      -40.2  
1 1 1 12 12 28 o 11.71000       1.164000      448.9601      -44.3  
1 1 1 12 12 29 o 4.513000       1.059000      287.8066      -92.0  
1 1 1 12 12 30 o 18.41000       1.221000      428.2867      133.4  
1 1 1 12 12 31 o 7.725000       1.073000      453.0007      71.4   
1 1 1 12 12 32 o 10.32000       1.094000      657.7999      37.4   
1 1 1 12 12 33 o 23.46000       1.232000      599.2774      132.4  
1 1 1 12 12 34 o 6.843000       1.171000      263.6851      14.9   
1 1 1 12 12 35 o 7.085000       1.239000      406.4662      147.3  
1 1 1 12 12 36 o 1.943000       1.376000      84.84042      150.0  
1 1 1 12 12 37 o 3.029000       1.256000      107.5171      -48.1  
1 1 1 12 12 38 o 0.7081000      1.130000      88.78677      71.2   
1 1 1 12 12 39 o 12.40000       1.107000      261.6908      126.3  
1 1 1 12 12 40 o 1.302000       1.032000      153.4923      -56.2  
1 1 1 12 12 41 o 4.083000       1.046000      275.8094      -152.4 
1 1 1 12 12 42 o 5.699000       1.192000      375.8357      -100.8 
1 1 1 12 12 43 o 4.163000       1.387000      273.2813      -174.4 
1 1 1 12 12 44 o 8.525000       1.270000      526.9883      176.9  
1 1 1 12 12 45 o 2.827000       1.100000      148.3393      -90.5  
1 1 1 12 12 46 o 2.166000       1.099000      255.9053      71.2   
1 1 1 12 12 47 o 13.36000       1.323000      430.8487      118.3  
1 1 1 12 12 48 o 3.320000       1.169000      171.3581      -22.5  
1 1 1 12 12 49 o -0.8529000     1.169000      152.1201      -76.5  
1 1 1 12 12 50 o 4.472000       1.209000      216.9631      -153.7 
1 1 1 12 12 51 o -0.9380000     1.212000      105.2368      117.9  
1 1 1 12 12 52 o 0.9255000E-01  1.262000      278.8654      92.9   
1 1 1 12 12 53 o 1.559000       1.406000      254.8936      -176.7 
1 1 1 12 12 54 o 1.292000       1.812000      162.3203      41.2   
1 1 1 12 12 55 o 4.640000       1.661000      291.3845      -106.7 
1 1 1 12 12 56 o 2.300000       1.488000      245.4498      135.2  
1 1 1 12 12 57 o 2.939000       1.382000      154.9493      164.1  
1 1 1 12 12 58 o 3.609000       1.560000      218.7136      -130.8 
1 1 1 12 12 59 o 1.215000       1.745000      ?             ?      
1 1 1 12 12 60 o 8.772000       1.531000      ?             ?      
1 1 1 12 12 61 o 4.448000       1.474000      ?             ?      
1 1 1 12 12 62 o -0.6079000     1.346000      ?             ?      
1 1 1 12 12 63 o 5.141000       1.372000      ?             ?      
1 1 1 12 12 64 o 3.520000       1.342000      ?             ?      
1 1 1 12 12 65 o 1.083000       1.302000      ?             ?      
1 1 1 12 12 66 o -1.547000      1.302000      ?             ?      
1 1 1 12 12 67 o 1.325000       1.307000      ?             ?      
1 1 1 12 12 68 o 0.4363000      1.430000      ?             ?      
1 1 1 12 12 69 o 0.3872000      1.670000      ?             ?      
1 1 1 12 12 70 o 0.4913000      2.295000      ?             ?      
1 1 1 12 12 71 o 1.329000       1.577000      ?             ?      
1 1 1 12 12 72 o -0.4386000     1.581000      ?             ?      
1 1 1 12 12 73 o 0.7019000      1.780000      ?             ?      
1 1 1 12 12 74 o 0.1652000E-01  1.672000      ?             ?      
1 1 1 12 13 0  o 0.7908000E-01  0.5558000     60.89332      -0.0   
1 1 1 12 13 1  o 9.673000       0.4943000     631.9433      119.1  
1 1 1 12 13 2  o 4.584000       0.4054000     435.6637      150.8  
1 1 1 12 13 3  o 5.744000       0.4677000     383.5313      111.6  
1 1 1 12 13 4  o 12.15000       0.5789000     564.8429      -53.9  
1 1 1 12 13 5  o 0.7221000      0.4666000     244.5890      -158.6 
1 1 1 12 13 6  o 0.2370000      0.4847000     200.5839      -43.0  
1 1 1 12 13 7  o 2.725000       0.5255000     233.1954      113.7  
1 1 1 12 13 8  o 25.70000       0.9607000     722.9318      -46.4  
1 1 1 12 13 9  o 7.481000       0.7341000     263.9244      19.9   
1 1 1 12 13 10 o 7.315000       0.6230000     308.7076      23.6   
1 1 1 12 13 11 o 2.020000       0.6089000     171.6308      -40.7  
1 1 1 12 13 12 o 2.120000       0.6603000     201.6084      157.8  
1 1 1 12 13 13 f 73.10000       1.914000      1484.708      -24.1  
1 1 1 12 13 14 o 0.4360000      0.8162000     200.0632      -86.5  
1 1 1 12 13 15 o 2.231000       0.7092000     510.3651      49.8   
1 1 1 12 13 16 o 7.975000       0.6435000     473.9001      99.5   
1 1 1 12 13 17 o 3.705000       0.6469000     127.0285      -15.1  
1 1 1 12 13 18 o 0.3956000      0.7079000     86.30177      149.6  
1 1 1 12 13 19 o 20.43000       0.9813000     726.9372      166.1  
1 1 1 12 13 20 o 27.33000       1.046000      668.5224      -22.0  
1 1 1 12 13 21 o 72.98000       1.964000      1424.369      -96.8  
1 1 1 12 13 22 o 4.047000       0.8784000     501.6407      19.6   
1 1 1 12 13 23 o 51.10000       1.649000      1044.742      31.7   
1 1 1 12 13 24 o 3.354000       1.139000      232.5776      -162.6 
1 1 1 12 13 25 o 9.237000       1.163000      531.9674      176.1  
1 1 1 12 13 26 o 5.378000       1.116000      396.0276      -103.8 
1 1 1 12 13 27 o 4.185000       1.109000      319.3366      -86.9  
1 1 1 12 13 28 o 3.692000       1.076000      156.3728      -109.2 
1 1 1 12 13 29 o 8.882000       1.050000      601.6244      -123.0 
1 1 1 12 13 30 o 21.49000       1.295000      729.6064      49.9   
1 1 1 12 13 31 o 3.468000       1.034000      248.4927      26.4   
1 1 1 12 13 32 o 7.183000       1.109000      216.7444      161.4  
1 1 1 12 13 33 o 1.061000       1.025000      306.3701      28.3   
1 1 1 12 13 34 o 5.012000       1.035000      302.7844      60.3   
1 1 1 12 13 35 o 1.399000       1.120000      125.9959      -11.0  
1 1 1 12 13 36 o 4.636000       1.236000      370.6198      -9.7   
1 1 1 12 13 37 o 2.630000       1.398000      84.36282      155.3  
1 1 1 12 13 38 o 9.166000       1.288000      467.6454      155.4  
1 1 1 12 13 39 o 11.51000       1.203000      412.3441      -56.8  
1 1 1 12 13 40 o 2.246000       1.032000      177.7382      84.7   
1 1 1 12 13 41 o 1.548000       1.185000      173.2897      -95.4  
1 1 1 12 13 42 o 3.692000       1.189000      220.2728      44.7   
1 1 1 12 13 43 o -0.3111000     1.190000      177.1903      -17.3  
1 1 1 12 13 44 o 19.77000       1.269000      540.7452      -108.3 
1 1 1 12 13 45 o 1.841000       1.106000      205.8189      -166.3 
1 1 1 12 13 46 o 1.089000       1.104000      58.76159      127.8  
1 1 1 12 13 47 o 17.45000       1.271000      553.3312      68.8   
1 1 1 12 13 48 o 5.081000       1.174000      336.8382      168.3  
1 1 1 12 13 49 o -1.271000      1.162000      101.5462      -14.6  
1 1 1 12 13 50 o 24.06000       1.411000      530.9578      -154.5 
1 1 1 12 13 51 o 1.274000       1.228000      138.4877      -23.5  
1 1 1 12 13 52 o 0.7609000      1.243000      168.0963      27.8   
1 1 1 12 13 53 o 2.689000       1.417000      177.5738      40.1   
1 1 1 12 13 54 o 22.31000       1.812000      536.1317      -88.0  
1 1 1 12 13 55 o 0.3693000      1.805000      193.6202      -147.9 
1 1 1 12 13 56 o 5.257000       1.511000      273.0506      28.0   
1 1 1 12 13 57 o 2.394000       1.457000      268.4033      82.5   
1 1 1 12 13 58 o 0.8729000      1.723000      156.0200      178.0  
1 1 1 12 13 59 o -0.3225000     1.555000      ?             ?      
1 1 1 12 13 60 o 5.242000       1.400000      ?             ?      
1 1 1 12 13 61 o 4.094000       1.395000      ?             ?      
1 1 1 12 13 62 o -0.7291000     1.329000      ?             ?      
1 1 1 12 13 63 o -0.6038000     1.319000      ?             ?      
1 1 1 12 13 64 o 1.954000       1.322000      ?             ?      
1 1 1 12 13 65 o 0.4993000      1.318000      ?             ?      
1 1 1 12 13 66 o 0.3922000      1.299000      ?             ?      
1 1 1 12 13 67 o 0.4679000      1.305000      ?             ?      
1 1 1 12 13 68 o 0.4289000      1.417000      ?             ?      
1 1 1 12 13 69 o 3.145000       1.596000      ?             ?      
1 1 1 12 13 70 o 0.5863000E-01  1.712000      ?             ?      
1 1 1 12 13 71 o 0.8480000      1.748000      ?             ?      
1 1 1 12 13 72 o 0.4111000      1.854000      ?             ?      
1 1 1 12 13 73 o 2.371000       1.622000      ?             ?      
1 1 1 12 13 74 o 1.621000       1.676000      ?             ?      
1 1 1 12 14 0  o 10.01000       1.082000      638.4428      -180.0 
1 1 1 12 14 1  o 4.501000       0.4311000     215.1831      8.4    
1 1 1 12 14 2  o 5.424000       0.4589000     127.6827      83.6   
1 1 1 12 14 3  o 14.73000       0.6144000     662.0629      51.6   
1 1 1 12 14 4  o 9.760000       0.5536000     425.1192      42.5   
1 1 1 12 14 5  o 5.358000       0.5318000     334.6795      -143.2 
1 1 1 12 14 6  o 24.94000       0.8169000     737.3937      139.6  
1 1 1 12 14 7  o 9.966000       0.6241000     251.1772      140.1  
1 1 1 12 14 8  o 67.31000       1.640000      1400.318      61.9   
1 1 1 12 14 9  o 7.093000       0.6101000     358.9954      68.6   
1 1 1 12 14 10 o 25.55000       0.9118000     1000.760      55.4   
1 1 1 12 14 11 o 8.073000       0.6179000     425.6205      143.9  
1 1 1 12 14 12 o 22.62000       0.9669000     631.8109      56.6   
1 1 1 12 14 13 o -0.6682000     0.8046000     154.1479      -132.8 
1 1 1 12 14 14 o 40.77000       1.480000      1070.160      96.1   
1 1 1 12 14 15 o 15.68000       1.014000      524.1774      108.1  
1 1 1 12 14 16 o 4.669000       0.9398000     628.3235      -63.8  
1 1 1 12 14 17 o 55.13000       1.537000      1099.028      -170.7 
1 1 1 12 14 18 o 1.575000       0.6787000     98.16556      -97.5  
1 1 1 12 14 19 o 10.61000       0.7891000     245.8632      77.3   
1 1 1 12 14 20 o 19.21000       1.101000      663.4275      -67.0  
1 1 1 12 14 21 o 84.70000       2.011000      1268.480      89.6   
1 1 1 12 14 22 o 38.20000       1.277000      667.1095      167.5  
1 1 1 12 14 23 o 10.01000       1.066000      645.1627      92.7   
1 1 1 12 14 24 o 54.74000       2.070000      1018.622      -64.2  
1 1 1 12 14 25 o 10.08000       1.201000      140.8326      -151.8 
1 1 1 12 14 26 o 9.584000       1.141000      645.0983      21.3   
1 1 1 12 14 27 o 24.52000       1.262000      852.1607      8.6    
1 1 1 12 14 28 o 25.97000       1.209000      620.4853      68.6   
1 1 1 12 14 29 o 27.26000       1.230000      607.3341      -171.0 
1 1 1 12 14 30 o 13.40000       1.108000      613.0809      -72.1  
1 1 1 12 14 31 o 7.489000       1.051000      227.4112      -109.2 
1 1 1 12 14 32 o 4.578000       1.046000      547.8312      166.5  
1 1 1 12 14 33 o 47.96000       1.540000      826.7762      104.8  
1 1 1 12 14 34 o 6.739000       1.025000      598.8416      51.2   
1 1 1 12 14 35 o 9.362000       1.163000      393.4206      123.5  
1 1 1 12 14 36 o 8.986000       1.248000      428.7933      89.1   
1 1 1 12 14 37 o 8.468000       1.452000      466.6934      128.5  
1 1 1 12 14 38 o 11.91000       1.314000      527.8785      103.5  
1 1 1 12 14 39 o 2.867000       1.120000      217.7074      -103.9 
1 1 1 12 14 40 o 2.547000       1.036000      157.2380      -45.5  
1 1 1 12 14 41 o 4.199000       1.154000      326.5451      -145.9 
1 1 1 12 14 42 o 4.988000       1.351000      170.0155      5.9    
1 1 1 12 14 43 o 0.8983000      1.206000      180.1816      103.2  
1 1 1 12 14 44 o 4.414000       1.107000      258.6326      129.1  
1 1 1 12 14 45 o 8.857000       1.144000      308.4327      -32.3  
1 1 1 12 14 46 o 12.93000       1.198000      356.7507      98.7   
1 1 1 12 14 47 o 9.406000       1.188000      478.2175      -99.1  
1 1 1 12 14 48 o 1.076000       1.144000      70.59012      13.8   
1 1 1 12 14 49 o 1.770000       1.169000      263.8069      -44.8  
1 1 1 12 14 50 o 2.924000       1.213000      147.5240      11.0   
1 1 1 12 14 51 o 4.753000       1.236000      187.8353      -116.1 
1 1 1 12 14 52 o 5.178000       1.271000      394.9497      66.0   
1 1 1 12 14 53 o 6.536000       1.447000      308.9874      -40.5  
1 1 1 12 14 54 o 3.470000       1.514000      192.9468      170.6  
1 1 1 12 14 55 o 9.294000       1.906000      409.6091      -158.5 
1 1 1 12 14 56 o 3.110000       1.638000      206.7366      -176.2 
1 1 1 12 14 57 o 3.853000       1.731000      221.2427      -37.7  
1 1 1 12 14 58 o 0.3658000      1.714000      ?             ?      
1 1 1 12 14 59 o 0.6591000E-01  1.461000      ?             ?      
1 1 1 12 14 60 o 1.635000       1.367000      ?             ?      
1 1 1 12 14 61 o 14.14000       1.460000      ?             ?      
1 1 1 12 14 62 o 1.938000       1.325000      ?             ?      
1 1 1 12 14 63 o 0.3771000      1.289000      ?             ?      
1 1 1 12 14 64 o 1.927000       1.311000      ?             ?      
1 1 1 12 14 65 o 1.392000       1.307000      ?             ?      
1 1 1 12 14 66 o 0.7066000      1.308000      ?             ?      
1 1 1 12 14 67 o -1.394000      1.298000      ?             ?      
1 1 1 12 14 68 o 5.442000       1.356000      ?             ?      
1 1 1 12 14 69 o -0.9301000     1.461000      ?             ?      
1 1 1 12 14 70 o -1.508000      1.691000      ?             ?      
1 1 1 12 14 71 o 0.8954000      1.927000      ?             ?      
1 1 1 12 14 72 o -0.9016000     1.772000      ?             ?      
1 1 1 12 14 73 o -0.5456000     1.416000      ?             ?      
1 1 1 12 15 0  o 1.378000       0.5991000     122.0567      -180.0 
1 1 1 12 15 1  o 107.0000       2.418000      1356.022      136.2  
1 1 1 12 15 2  o 50.72000       1.610000      977.4394      -77.7  
1 1 1 12 15 3  o 16.37000       0.7541000     708.2657      82.6   
1 1 1 12 15 4  o 29.74000       0.8367000     760.7662      -84.4  
1 1 1 12 15 5  o 23.96000       0.8698000     790.5903      158.5  
1 1 1 12 15 6  o 0.7497000E-01  0.5371000     222.4597      47.5   
1 1 1 12 15 7  o 8.871000       0.7784000     294.4439      33.6   
1 1 1 12 15 8  o 29.59000       0.9464000     887.5988      -82.5  
1 1 1 12 15 9  o 13.30000       0.8691000     682.2675      161.6  
1 1 1 12 15 10 o 31.46000       1.338000      886.1143      82.9   
1 1 1 12 15 11 o 21.59000       0.8401000     839.0181      -33.4  
1 1 1 12 15 12 o 5.427000       0.6432000     402.2755      -141.2 
1 1 1 12 15 13 o 32.56000       1.102000      929.9590      29.8   
1 1 1 12 15 14 o 25.45000       1.043000      591.3726      -142.4 
1 1 1 12 15 15 o 39.43000       1.321000      758.5412      -70.3  
1 1 1 12 15 16 o 41.49000       1.273000      792.1362      34.3   
1 1 1 12 15 17 o 11.86000       0.8763000     787.9917      -13.0  
1 1 1 12 15 18 o 24.81000       0.9262000     993.0761      -30.6  
1 1 1 12 15 19 o 4.845000       0.7503000     142.2123      173.7  
1 1 1 12 15 20 o 26.62000       1.050000      757.2637      -66.3  
1 1 1 12 15 21 o 92.59000       2.160000      1497.408      -125.8 
1 1 1 12 15 22 o 55.36000       1.647000      1067.691      44.2   
1 1 1 12 15 23 o 47.84000       1.770000      983.9921      -39.6  
1 1 1 12 15 24 o 66.49000       2.066000      1213.428      -114.4 
1 1 1 12 15 25 o 30.96000       1.366000      993.5002      72.9   
1 1 1 12 15 26 o 93.76000       2.299000      1408.635      -91.1  
1 1 1 12 15 27 o 28.55000       1.235000      648.1657      -147.4 
1 1 1 12 15 28 o 83.93000       2.095000      1009.856      0.6    
1 1 1 12 15 29 o 41.10000       1.414000      799.5458      -6.5   
1 1 1 12 15 30 o 42.21000       1.424000      752.4259      -0.4   
1 1 1 12 15 31 o 54.83000       1.621000      1037.726      60.3   
1 1 1 12 15 32 o 101.6000       2.427000      1339.416      -152.9 
1 1 1 12 15 33 o 2.781000       1.018000      557.1786      -145.6 
1 1 1 12 15 34 o 23.38000       1.177000      924.5356      78.2   
1 1 1 12 15 35 o 14.24000       1.091000      526.1685      -54.2  
1 1 1 12 15 36 o 10.30000       1.176000      530.5830      -10.3  
1 1 1 12 15 37 o 36.00000       1.622000      1067.078      159.6  
1 1 1 12 15 38 o 1.637000       1.392000      107.1383      -47.9  
1 1 1 12 15 39 o 89.55000       2.933000      1279.031      5.2    
1 1 1 12 15 40 o 26.22000       1.395000      642.6021      20.6   
1 1 1 12 15 41 o 11.29000       1.229000      302.9560      -92.1  
1 1 1 12 15 42 o 29.72000       1.521000      574.4530      119.5  
1 1 1 12 15 43 o 18.82000       1.293000      652.7873      -122.5 
1 1 1 12 15 44 o 4.200000       1.101000      165.7579      146.0  
1 1 1 12 15 45 o 25.14000       1.415000      748.5901      47.0   
1 1 1 12 15 46 o 4.018000       1.122000      333.5899      -116.9 
1 1 1 12 15 47 o 6.987000       1.167000      324.3003      -35.2  
1 1 1 12 15 48 o 5.406000       1.168000      307.2389      112.3  
1 1 1 12 15 49 o 5.530000       1.197000      336.7371      55.2   
1 1 1 12 15 50 o 21.04000       1.364000      498.4445      -171.7 
1 1 1 12 15 51 o 12.68000       1.307000      428.4405      40.8   
1 1 1 12 15 52 o 3.782000       1.282000      286.1763      109.8  
1 1 1 12 15 53 o 6.493000       1.350000      262.1027      -127.2 
1 1 1 12 15 54 o 11.42000       1.533000      456.7771      -97.2  
1 1 1 12 15 55 o 0.9883000E-01  1.499000      223.2782      93.2   
1 1 1 12 15 56 o 1.056000       2.295000      192.5069      -15.2  
1 1 1 12 15 57 o -1.705000      1.755000      169.7392      168.3  
1 1 1 12 15 58 o 9.665000       1.603000      ?             ?      
1 1 1 12 15 59 o 6.256000       1.398000      ?             ?      
1 1 1 12 15 60 o 15.17000       1.475000      ?             ?      
1 1 1 12 15 61 o 0.5202000      1.320000      ?             ?      
1 1 1 12 15 62 o 2.905000       1.324000      ?             ?      
1 1 1 12 15 63 o 0.6083000      1.293000      ?             ?      
1 1 1 12 15 64 o 3.338000       1.301000      ?             ?      
1 1 1 12 15 65 o 0.6121000      1.292000      ?             ?      
1 1 1 12 15 66 o 1.311000       1.306000      ?             ?      
1 1 1 12 15 67 o 2.093000       1.314000      ?             ?      
1 1 1 12 15 68 o 0.4240000      1.322000      ?             ?      
1 1 1 12 15 69 o 2.761000       1.489000      ?             ?      
1 1 1 12 15 70 o 3.822000       1.806000      ?             ?      
1 1 1 12 15 71 o 0.4624000      2.327000      ?             ?      
1 1 1 12 15 72 o 1.935000       1.789000      ?             ?      
1 1 1 12 15 73 o 0.2857000      1.972000      ?             ?      
1 1 1 12 16 0  o 7.919000       0.6900000     401.4106      -180.0 
1 1 1 12 16 1  o 128.5000       2.882000      1798.417      66.3   
1 1 1 12 16 2  o 26.06000       0.8520000     714.9042      146.8  
1 1 1 12 16 3  o 91.67000       2.073000      1251.357      47.7   
1 1 1 12 16 4  o 20.37000       0.6847000     746.4686      -157.0 
1 1 1 12 16 5  o 25.96000       0.8630000     882.0980      151.0  
1 1 1 12 16 6  o 3.727000       0.6866000     302.2134      -28.6  
1 1 1 12 16 7  o 68.06000       1.997000      860.6742      94.8   
1 1 1 12 16 8  o 1.931000       0.6206000     303.6702      164.3  
1 1 1 12 16 9  o 94.68000       2.392000      1196.849      -175.5 
1 1 1 12 16 10 o 236.4000       5.584000      2290.497      68.3   
1 1 1 12 16 11 o 52.77000       1.617000      1299.233      175.8  
1 1 1 12 16 12 o 71.93000       1.650000      1326.848      32.7   
1 1 1 12 16 13 o 56.00000       1.486000      1306.404      8.4    
1 1 1 12 16 14 o 105.6000       2.469000      1436.548      56.9   
1 1 1 12 16 15 o 26.02000       1.231000      948.7971      22.6   
1 1 1 12 16 16 o 16.04000       0.9393000     449.6630      15.0   
1 1 1 12 16 17 o 140.7000       3.232000      1914.346      -171.8 
1 1 1 12 16 18 o 17.25000       0.8717000     615.1523      -40.5  
1 1 1 12 16 19 o 71.72000       1.755000      1161.972      103.0  
1 1 1 12 16 20 o 86.75000       2.172000      1268.939      -125.0 
1 1 1 12 16 21 o 17.68000       1.294000      606.9287      136.0  
1 1 1 12 16 22 o 13.60000       1.082000      366.9090      58.7   
1 1 1 12 16 23 o 3.293000       1.126000      199.6312      19.4   
1 1 1 12 16 24 o 3.726000       1.285000      452.0100      161.4  
1 1 1 12 16 25 o 31.19000       1.321000      615.9753      23.8   
1 1 1 12 16 26 o 3.025000       1.027000      661.1552      -1.7   
1 1 1 12 16 27 o 20.65000       1.114000      267.2032      43.0   
1 1 1 12 16 28 o 34.75000       1.305000      578.9243      171.4  
1 1 1 12 16 29 o 41.94000       1.419000      1016.258      -88.2  
1 1 1 12 16 30 o 3.671000       1.011000      48.84962      -83.6  
1 1 1 12 16 31 o 12.04000       1.058000      474.8126      12.6   
1 1 1 12 16 32 o 52.36000       1.582000      1094.262      140.1  
1 1 1 12 16 33 o 33.55000       1.296000      1084.958      63.5   
1 1 1 12 16 34 o 14.75000       1.067000      733.2545      -108.4 
1 1 1 12 16 35 o 24.05000       1.183000      636.6376      -82.9  
1 1 1 12 16 36 o 30.67000       1.416000      755.0330      174.7  
1 1 1 12 16 37 o 15.02000       1.317000      806.3127      76.8   
1 1 1 12 16 38 o 16.03000       1.514000      458.8068      30.6   
1 1 1 12 16 39 o 25.13000       1.413000      592.2814      102.1  
1 1 1 12 16 40 o 45.74000       1.944000      944.0580      77.3   
1 1 1 12 16 41 o 26.36000       1.619000      713.7604      168.6  
1 1 1 12 16 42 o 6.603000       1.183000      496.5370      5.7    
1 1 1 12 16 43 o 35.30000       1.410000      794.1921      -127.3 
1 1 1 12 16 44 o 26.65000       1.299000      727.8668      97.0   
1 1 1 12 16 45 o 16.19000       1.193000      676.4214      -59.1  
1 1 1 12 16 46 o 10.89000       1.163000      650.9717      73.3   
1 1 1 12 16 47 o 22.75000       1.310000      615.7925      -51.2  
1 1 1 12 16 48 o 10.72000       1.218000      453.6180      171.0  
1 1 1 12 16 49 o 25.00000       1.389000      655.9767      -117.5 
1 1 1 12 16 50 o 5.190000       1.236000      320.7404      160.1  
1 1 1 12 16 51 o 12.26000       1.315000      507.6601      -101.6 
1 1 1 12 16 52 o -0.2942000     1.288000      167.9301      -165.0 
1 1 1 12 16 53 o 47.55000       1.838000      967.7596      -88.9  
1 1 1 12 16 54 o 8.638000       1.502000      407.2959      -173.1 
1 1 1 12 16 55 o 4.630000       1.585000      372.6339      141.4  
1 1 1 12 16 56 o 10.71000       2.453000      472.6120      -87.6  
1 1 1 12 16 57 o 0.8777000      2.372000      69.65006      -166.3 
1 1 1 12 16 58 o 11.99000       2.263000      ?             ?      
1 1 1 12 16 59 o 3.727000       1.337000      ?             ?      
1 1 1 12 16 60 o 11.05000       1.397000      ?             ?      
1 1 1 12 16 61 o 2.547000       1.322000      ?             ?      
1 1 1 12 16 62 o 5.219000       1.314000      ?             ?      
1 1 1 12 16 63 o 3.401000       1.308000      ?             ?      
1 1 1 12 16 64 o 0.9238000      1.289000      ?             ?      
1 1 1 12 16 65 o -0.1547000     1.285000      ?             ?      
1 1 1 12 16 66 o 2.055000       1.296000      ?             ?      
1 1 1 12 16 67 o 2.071000       1.312000      ?             ?      
1 1 1 12 16 68 o 10.63000       1.409000      ?             ?      
1 1 1 12 16 69 o 1.565000       1.357000      ?             ?      
1 1 1 12 16 70 o 6.441000       1.773000      ?             ?      
1 1 1 12 16 71 o -0.6906000     2.363000      ?             ?      
1 1 1 12 16 72 o 0.5042000      1.648000      ?             ?      
1 1 1 12 16 73 o 1.937000       1.417000      ?             ?      
1 1 1 12 17 0  o 192.8000       6.409000      2474.523      180.0  
1 1 1 12 17 1  o 14.19000       0.6536000     778.0071      -146.7 
1 1 1 12 17 2  o 67.45000       1.719000      1239.579      -170.4 
1 1 1 12 17 3  o 4.799000       0.5798000     405.5149      -12.4  
1 1 1 12 17 4  o 104.1000       2.507000      1323.666      -176.0 
1 1 1 12 17 5  o 62.69000       1.458000      1032.794      -105.9 
1 1 1 12 17 6  o 123.5000       3.032000      1323.487      -145.4 
1 1 1 12 17 7  o 43.60000       1.342000      993.5049      -37.9  
1 1 1 12 17 8  o 424.5000       9.623000      2669.157      -119.4 
1 1 1 12 17 9  o 139.1000       2.906000      1627.041      97.4   
1 1 1 12 17 10 o 2.172000       0.8164000     288.0730      128.8  
1 1 1 12 17 11 o 21.86000       1.054000      644.7933      -79.0  
1 1 1 12 17 12 o 164.8000       3.679000      1836.515      123.9  
1 1 1 12 17 13 o 97.15000       2.150000      1172.283      57.5   
1 1 1 12 17 14 f 28.45000       0.9743000     842.4941      4.7    
1 1 1 12 17 15 o 54.14000       1.642000      734.3177      -38.0  
1 1 1 12 17 16 o 72.43000       2.308000      1253.115      85.7   
1 1 1 12 17 17 o 252.3000       5.538000      2040.049      -119.7 
1 1 1 12 17 18 o 142.0000       3.285000      1586.903      -89.0  
1 1 1 12 17 19 o 186.9000       3.892000      2010.994      -0.8   
1 1 1 12 17 20 o 40.95000       1.476000      895.2107      -71.6  
1 1 1 12 17 21 o 100.4000       2.477000      1639.466      -94.7  
1 1 1 12 17 22 o 13.47000       1.175000      841.9598      92.1   
1 1 1 12 17 23 o 24.26000       1.391000      628.5898      87.3   
1 1 1 12 17 24 o 209.0000       4.715000      1768.062      -22.5  
1 1 1 12 17 25 o 13.31000       1.084000      580.3655      78.7   
1 1 1 12 17 26 o 180.1000       3.829000      1819.708      -62.8  
1 1 1 12 17 27 o 30.16000       1.226000      634.2949      176.3  
1 1 1 12 17 28 o 142.0000       3.118000      1559.836      61.9   
1 1 1 12 17 29 o 7.376000       1.002000      206.1774      108.2  
1 1 1 12 17 30 o 7.927000       1.012000      176.0278      102.2  
1 1 1 12 17 31 o 104.9000       2.463000      1288.536      -26.0  
1 1 1 12 17 32 o 39.36000       1.377000      1106.182      -142.4 
1 1 1 12 17 33 o 33.87000       1.282000      834.8020      26.8   
1 1 1 12 17 34 f 43.65000       1.429000      997.4160      36.8   
1 1 1 12 17 35 o 25.03000       1.176000      695.6552      -71.3  
1 1 1 12 17 36 o 33.56000       1.331000      643.7042      -161.8 
1 1 1 12 17 37 o 12.49000       1.204000      302.3054      90.4   
1 1 1 12 17 38 o 0.8193000      1.117000      198.8981      -24.1  
1 1 1 12 17 39 o 12.92000       1.542000      566.0878      14.5   
1 1 1 12 17 40 o 16.52000       1.617000      310.6823      -176.4 
1 1 1 12 17 41 o 7.858000       1.356000      475.0649      90.5   
1 1 1 12 17 42 o 24.09000       1.250000      705.1227      -28.4  
1 1 1 12 17 43 o 21.99000       1.227000      571.8141      135.8  
1 1 1 12 17 44 o 12.48000       1.141000      497.1458      -18.3  
1 1 1 12 17 45 o 4.557000       1.102000      254.9475      113.4  
1 1 1 12 17 46 o 2.407000       1.109000      372.1249      19.1   
1 1 1 12 17 47 o 2.640000       1.132000      176.8891      62.6   
1 1 1 12 17 48 o 17.63000       1.281000      528.9720      98.7   
1 1 1 12 17 49 o 2.114000       1.197000      133.7914      -54.9  
1 1 1 12 17 50 o 9.204000       1.271000      535.6671      48.0   
1 1 1 12 17 51 o 10.97000       1.330000      324.5126      33.4   
1 1 1 12 17 52 o 4.308000       1.326000      237.9352      -2.1   
1 1 1 12 17 53 o 10.17000       1.389000      557.1204      -63.7  
1 1 1 12 17 54 o 5.741000       1.360000      257.4560      125.5  
1 1 1 12 17 55 o 10.46000       1.519000      440.3131      -38.2  
1 1 1 12 17 56 o 19.23000       1.886000      695.5511      -131.0 
1 1 1 12 17 57 o -1.339000      1.770000      ?             ?      
1 1 1 12 17 58 o 3.941000       1.473000      ?             ?      
1 1 1 12 17 59 o 5.575000       1.329000      ?             ?      
1 1 1 12 17 60 o 1.108000       1.306000      ?             ?      
1 1 1 12 17 61 o 8.959000       1.358000      ?             ?      
1 1 1 12 17 62 o 1.963000       1.291000      ?             ?      
1 1 1 12 17 63 o 0.4973000      1.288000      ?             ?      
1 1 1 12 17 64 o 2.757000       1.298000      ?             ?      
1 1 1 12 17 65 o 3.408000       1.298000      ?             ?      
1 1 1 12 17 66 o 3.983000       1.314000      ?             ?      
1 1 1 12 17 67 f 2.657000       1.312000      ?             ?      
1 1 1 12 17 68 o 2.514000       1.334000      ?             ?      
1 1 1 12 17 69 o 2.543000       1.423000      ?             ?      
1 1 1 12 17 70 o 5.105000       2.112000      ?             ?      
1 1 1 12 17 72 o 2.882000       1.757000      ?             ?      
1 1 1 12 17 73 o 2.069000       4.217000      ?             ?      
1 1 1 12 18 0  o 0.7457000      0.7151000     67.21398      180.0  
1 1 1 12 18 1  o 54.69000       1.591000      1025.719      -6.7   
1 1 1 12 18 2  o 34.65000       1.183000      838.1318      5.8    
1 1 1 12 18 3  o 40.86000       1.298000      1110.792      147.5  
1 1 1 12 18 4  o 84.78000       2.284000      1752.643      -3.7   
1 1 1 12 18 5  o 93.30000       2.506000      1289.711      -47.0  
1 1 1 12 18 6  o 16.86000       0.8545000     622.0172      -90.9  
1 1 1 12 18 7  o 203.9000       5.030000      1897.075      178.8  
1 1 1 12 18 8  o -0.9911000E-01 0.6835000     69.88490      74.0   
1 1 1 12 18 9  o 49.31000       1.302000      1037.924      4.2    
1 1 1 12 18 10 o 2.278000       0.7540000     594.6790      -106.7 
1 1 1 12 18 11 o 26.39000       1.108000      712.3183      165.9  
1 1 1 12 18 12 o 160.5000       3.575000      1951.266      74.5   
1 1 1 12 18 13 o 143.7000       3.021000      1877.448      -64.0  
1 1 1 12 18 14 o 95.09000       2.139000      1654.116      85.9   
1 1 1 12 18 15 o 16.57000       0.9573000     565.5685      -140.3 
1 1 1 12 18 16 o 18.54000       1.164000      458.4808      -122.8 
1 1 1 12 18 17 o 43.16000       1.578000      1040.984      -104.9 
1 1 1 12 18 18 o 422.5000       9.083000      3063.572      36.1   
1 1 1 12 18 19 o 133.8000       3.173000      1805.529      66.7   
1 1 1 12 18 20 o 1.800000       0.9025000     67.02111      -75.5  
1 1 1 12 18 21 o 39.03000       1.555000      797.8488      162.5  
1 1 1 12 18 22 o 80.10000       2.622000      1285.237      167.6  
1 1 1 12 18 23 o 11.17000       1.389000      619.4937      -117.1 
1 1 1 12 18 24 o 33.17000       1.303000      598.3550      96.8   
1 1 1 12 18 25 o 83.12000       2.208000      1597.983      63.0   
1 1 1 12 18 26 o 16.05000       1.236000      448.6908      -30.7  
1 1 1 12 18 27 o 6.279000       1.175000      466.0298      -74.9  
1 1 1 12 18 28 o 46.07000       1.448000      979.7292      -140.9 
1 1 1 12 18 29 o 10.90000       1.013000      483.3426      -160.2 
1 1 1 12 18 30 o 39.03000       1.350000      721.8372      107.2  
1 1 1 12 18 31 o 76.31000       1.960000      1211.035      -24.0  
1 1 1 12 18 32 o 114.9000       2.639000      1400.268      110.3  
1 1 1 12 18 33 o 22.66000       1.135000      543.3036      -121.3 
1 1 1 12 18 34 o 29.28000       1.229000      1050.725      -114.3 
1 1 1 12 18 35 o 20.41000       1.114000      577.2353      -18.0  
1 1 1 12 18 36 o 41.20000       1.412000      1002.637      146.7  
1 1 1 12 18 37 o 70.65000       2.065000      1151.653      -17.2  
1 1 1 12 18 38 o 33.26000       1.579000      817.6197      133.5  
1 1 1 12 18 39 o 29.34000       1.618000      820.7278      78.1   
1 1 1 12 18 40 o 8.121000       1.729000      509.7835      75.0   
1 1 1 12 18 41 o 18.53000       1.513000      581.4250      -123.4 
1 1 1 12 18 42 o 4.539000       1.066000      293.4399      169.9  
1 1 1 12 18 43 o 46.31000       1.559000      1032.116      79.7   
1 1 1 12 18 44 o 14.81000       1.167000      548.0351      -156.9 
1 1 1 12 18 45 o 13.79000       1.166000      619.8622      -91.0  
1 1 1 12 18 46 o 11.91000       1.168000      603.7323      162.7  
1 1 1 12 18 47 o 27.52000       1.369000      756.9987      160.6  
1 1 1 12 18 48 o 8.508000       1.208000      393.4728      -146.3 
1 1 1 12 18 49 o 53.74000       1.793000      1165.453      -169.1 
1 1 1 12 18 50 o 2.445000       1.244000      379.5261      120.0  
1 1 1 12 18 51 o 9.354000       1.316000      362.1645      -104.6 
1 1 1 12 18 52 o 39.30000       1.694000      783.4566      -81.2  
1 1 1 12 18 53 o 0.4865000E-01  1.326000      261.1043      -89.7  
1 1 1 12 18 54 o 18.50000       1.456000      584.3550      44.6   
1 1 1 12 18 55 o -1.128000      1.617000      65.82760      -155.2 
1 1 1 12 18 56 o 5.128000       2.332000      392.2411      21.9   
1 1 1 12 18 57 o 3.090000       2.363000      ?             ?      
1 1 1 12 18 58 o 8.387000       1.594000      ?             ?      
1 1 1 12 18 59 o 2.551000       1.417000      ?             ?      
1 1 1 12 18 60 o 8.037000       1.336000      ?             ?      
1 1 1 12 18 61 f 6.023000       1.323000      ?             ?      
1 1 1 12 18 62 o -1.169000      1.274000      ?             ?      
1 1 1 12 18 63 o 1.795000       1.294000      ?             ?      
1 1 1 12 18 64 o 6.338000       1.341000      ?             ?      
1 1 1 12 18 65 o 2.566000       1.303000      ?             ?      
1 1 1 12 18 66 o -0.4734000E-01 1.293000      ?             ?      
1 1 1 12 18 67 o 5.501000       1.342000      ?             ?      
1 1 1 12 18 68 o 3.679000       1.334000      ?             ?      
1 1 1 12 18 69 o 0.4480000      1.490000      ?             ?      
1 1 1 12 18 70 o 4.514000       1.748000      ?             ?      
1 1 1 12 18 71 o 3.129000       1.545000      ?             ?      
1 1 1 12 18 72 o -1.856000      1.949000      ?             ?      
1 1 1 12 19 0  o 69.95000       2.264000      1369.675      -180.0 
1 1 1 12 19 1  o 79.73000       2.222000      1100.372      154.9  
1 1 1 12 19 2  o 15.60000       1.319000      310.9451      -154.2 
1 1 1 12 19 3  o 2.692000       0.7516000     321.9046      -148.2 
1 1 1 12 19 4  o 217.5000       5.141000      2030.659      -104.2 
1 1 1 12 19 5  o 222.4000       4.620000      2212.892      -52.3  
1 1 1 12 19 6  o 35.64000       1.074000      903.1499      122.3  
1 1 1 12 19 7  o 59.53000       1.591000      1208.196      -15.9  
1 1 1 12 19 8  o 14.19000       0.8815000     417.7184      50.2   
1 1 1 12 19 9  o 177.0000       4.236000      1712.057      37.0   
1 1 1 12 19 10 o 79.12000       1.847000      1190.682      64.6   
1 1 1 12 19 11 o 355.4000       6.497000      2583.830      -85.7  
1 1 1 12 19 12 f 564.8000       11.33000      3192.119      158.0  
1 1 1 12 19 13 o 4.153000       0.8960000     740.7049      -17.3  
1 1 1 12 19 14 o 122.5000       3.454000      1522.147      11.9   
1 1 1 12 19 15 o 167.5000       3.514000      2090.838      -178.9 
1 1 1 12 19 16 o 81.83000       2.188000      695.5555      128.7  
1 1 1 12 19 17 o 393.6000       9.121000      2425.728      -129.0 
1 1 1 12 19 18 o 12.62000       1.433000      700.1362      -46.2  
1 1 1 12 19 19 o 32.44000       1.719000      320.5521      -85.3  
1 1 1 12 19 20 o 156.4000       3.603000      2007.909      -109.6 
1 1 1 12 19 21 o 16.06000       1.219000      523.5068      -172.0 
1 1 1 12 19 22 o 11.26000       1.191000      529.3638      89.2   
1 1 1 12 19 23 o 6.148000       1.019000      155.3915      31.3   
1 1 1 12 19 24 o 101.7000       2.410000      1346.613      105.7  
1 1 1 12 19 25 o 86.92000       2.124000      1298.877      105.9  
1 1 1 12 19 26 o 11.18000       0.9963000     342.6436      126.3  
1 1 1 12 19 27 o 32.30000       1.230000      579.9149      129.8  
1 1 1 12 19 28 o 22.50000       1.103000      748.2437      -12.1  
1 1 1 12 19 29 o 1.765000       0.9403000     253.6698      -112.3 
1 1 1 12 19 30 o 45.47000       1.430000      712.5831      96.5   
1 1 1 12 19 31 o 35.35000       1.280000      569.7654      -121.0 
1 1 1 12 19 32 o 5.948000       0.9687000     405.2341      162.3  
1 1 1 12 19 33 o 44.46000       1.436000      896.9202      7.2    
1 1 1 12 19 34 o 63.99000       1.855000      1020.020      98.8   
1 1 1 12 19 35 o 6.540000       0.9757000     457.3851      -126.1 
1 1 1 12 19 36 o 22.93000       1.155000      402.6872      108.0  
1 1 1 12 19 37 o 13.68000       1.181000      659.9196      -159.1 
1 1 1 12 19 38 o 8.233000       1.165000      501.3324      40.0   
1 1 1 12 19 39 o 16.67000       1.429000      593.6732      145.7  
1 1 1 12 19 40 o 109.5000       3.749000      1533.486      49.1   
1 1 1 12 19 41 o 60.34000       2.364000      1152.010      -69.3  
1 1 1 12 19 42 o 12.41000       1.250000      475.4582      0.3    
1 1 1 12 19 43 o 31.15000       1.345000      938.2662      174.7  
1 1 1 12 19 44 o 57.22000       1.762000      1113.934      -54.8  
1 1 1 12 19 45 o 11.20000       1.160000      537.6086      -50.3  
1 1 1 12 19 46 o 2.657000       1.134000      171.2842      -25.7  
1 1 1 12 19 47 o 3.472000       1.154000      376.6995      84.4   
1 1 1 12 19 48 o 18.19000       1.300000      703.9160      -143.1 
1 1 1 12 19 49 o 15.71000       1.320000      493.7951      57.1   
1 1 1 12 19 50 o 32.87000       1.526000      662.3537      49.3   
1 1 1 12 19 51 o 19.83000       1.408000      746.0978      55.0   
1 1 1 12 19 52 o 1.595000       1.314000      246.5742      -42.0  
1 1 1 12 19 53 o 10.21000       1.371000      397.7843      -28.0  
1 1 1 12 19 54 o 8.428000       1.384000      318.8683      86.4   
1 1 1 12 19 55 o 15.56000       1.581000      644.7816      -15.7  
1 1 1 12 19 56 o 3.238000       1.656000      ?             ?      
1 1 1 12 19 57 o 5.738000       1.442000      ?             ?      
1 1 1 12 19 58 o 9.418000       1.502000      ?             ?      
1 1 1 12 19 59 o 2.376000       1.428000      ?             ?      
1 1 1 12 19 60 o 1.921000       1.288000      ?             ?      
1 1 1 12 19 61 o 3.301000       1.288000      ?             ?      
1 1 1 12 19 62 o 5.076000       1.305000      ?             ?      
1 1 1 12 19 63 o 8.939000       1.345000      ?             ?      
1 1 1 12 19 64 o 9.622000       1.361000      ?             ?      
1 1 1 12 19 65 o 5.190000       1.309000      ?             ?      
1 1 1 12 19 66 o 3.355000       1.306000      ?             ?      
1 1 1 12 19 67 o 2.721000       1.314000      ?             ?      
1 1 1 12 19 68 o 2.263000       1.414000      ?             ?      
1 1 1 12 19 70 o 0.3951000      1.541000      ?             ?      
1 1 1 12 19 71 o 3.171000       1.808000      ?             ?      
1 1 1 12 19 72 o 3.264000       1.988000      ?             ?      
1 1 1 12 20 0  o -1.809000      0.9125000     115.4771      -180.0 
1 1 1 12 20 1  o 238.2000       5.210000      2207.043      -53.2  
1 1 1 12 20 2  o 201.3000       4.689000      2003.044      -8.8   
1 1 1 12 20 3  o 52.78000       1.614000      1029.077      2.5    
1 1 1 12 20 4  o 206.6000       5.110000      1717.516      1.5    
1 1 1 12 20 5  o 45.29000       1.765000      1028.323      -140.4 
1 1 1 12 20 6  o 550.3000       12.71000      3131.873      137.7  
1 1 1 12 20 7  o 15.13000       0.8762000     335.4337      -65.3  
1 1 1 12 20 8  o 517.6000       9.383000      3030.412      -5.3   
1 1 1 12 20 9  o 93.29000       2.120000      1483.494      -158.5 
1 1 1 12 20 10 o 27.31000       1.207000      1122.035      39.0   
1 1 1 12 20 11 o 14.84000       1.131000      611.9343      -179.9 
1 1 1 12 20 12 o 72.54000       2.182000      1407.123      151.5  
1 1 1 12 20 13 o 290.0000       5.799000      2264.381      -64.2  
1 1 1 12 20 14 o 104.9000       2.580000      1466.252      110.0  
1 1 1 12 20 15 o 103.5000       2.788000      1294.970      178.5  
1 1 1 12 20 16 o 32.97000       1.371000      543.2613      75.7   
1 1 1 12 20 17 o 237.2000       4.905000      1946.541      -70.2  
1 1 1 12 20 18 o 482.2000       11.11000      2783.375      -26.2  
1 1 1 12 20 19 o 140.3000       3.963000      1873.954      -3.6   
1 1 1 12 20 20 o 44.66000       2.608000      802.1949      -167.5 
1 1 1 12 20 21 o 133.9000       3.759000      1260.241      137.2  
1 1 1 12 20 22 o 163.0000       3.799000      1823.964      -87.6  
1 1 1 12 20 23 o 28.65000       1.199000      969.8935      -88.6  
1 1 1 12 20 24 o 15.17000       1.191000      591.3746      -172.8 
1 1 1 12 20 25 o 21.31000       1.090000      666.2130      154.0  
1 1 1 12 20 26 o 83.59000       2.047000      1449.073      -29.4  
1 1 1 12 20 27 o 17.30000       1.030000      755.7583      -99.6  
1 1 1 12 20 28 o 21.40000       1.073000      911.4240      -113.7 
1 1 1 12 20 29 o 129.0000       2.866000      1503.356      -117.6 
1 1 1 12 20 30 o 75.77000       1.922000      1062.530      -171.7 
1 1 1 12 20 31 o 18.02000       1.055000      655.4193      -78.3  
1 1 1 12 20 32 o -0.2205000     0.9258000     373.3126      121.7  
1 1 1 12 20 33 o 60.91000       1.686000      1066.506      -166.8 
1 1 1 12 20 34 o 6.411000       0.9716000     507.7131      -118.9 
1 1 1 12 20 35 o 5.683000       0.9778000     321.1664      6.4    
1 1 1 12 20 36 o 11.50000       1.024000      397.8426      32.2   
1 1 1 12 20 37 o 21.29000       1.152000      555.3847      -103.0 
1 1 1 12 20 38 o 53.89000       2.049000      971.5164      -177.2 
1 1 1 12 20 39 o 108.9000       4.907000      1536.296      116.7  
1 1 1 12 20 40 o 100.3000       3.136000      1458.693      -37.2  
1 1 1 12 20 41 o 21.35000       1.365000      884.7159      118.3  
1 1 1 12 20 42 o 5.690000       1.206000      293.1824      32.8   
1 1 1 12 20 43 o 10.63000       1.129000      617.6760      22.8   
1 1 1 12 20 44 o 31.08000       1.379000      949.4364      -60.3  
1 1 1 12 20 45 o 6.643000       1.140000      320.6781      171.3  
1 1 1 12 20 46 o 85.81000       2.268000      ?             ?      
1 1 1 12 20 47 o 29.41000       1.417000      767.9177      111.4  
1 1 1 12 20 48 o 51.09000       1.746000      980.6393      -137.9 
1 1 1 12 20 49 o 3.769000       1.218000      309.5301      -95.6  
1 1 1 12 20 50 o 14.08000       1.331000      529.0050      49.7   
1 1 1 12 20 51 o 5.017000       1.290000      180.5972      -59.5  
1 1 1 12 20 52 o 20.77000       1.451000      734.3456      130.5  
1 1 1 12 20 53 o 3.662000       1.319000      377.9471      84.0   
1 1 1 12 20 54 o 40.34000       1.888000      950.3813      35.8   
1 1 1 12 20 55 o 2.161000       1.644000      135.6872      -31.3  
1 1 1 12 20 56 o -0.2083000     1.606000      ?             ?      
1 1 1 12 20 57 o 4.127000       1.529000      ?             ?      
1 1 1 12 20 58 o 1.521000       1.673000      ?             ?      
1 1 1 12 20 59 o 3.317000       1.542000      ?             ?      
1 1 1 12 20 60 o 14.93000       1.522000      ?             ?      
1 1 1 12 20 61 o -0.1030000     1.271000      ?             ?      
1 1 1 12 20 62 o 6.602000       1.320000      ?             ?      
1 1 1 12 20 63 o 0.3454000      1.276000      ?             ?      
1 1 1 12 20 64 o 1.155000       1.277000      ?             ?      
1 1 1 12 20 65 o 6.345000       1.318000      ?             ?      
1 1 1 12 20 66 o 2.971000       1.309000      ?             ?      
1 1 1 12 20 67 o 1.221000       1.310000      ?             ?      
1 1 1 12 20 68 o 3.156000       1.516000      ?             ?      
1 1 1 12 20 69 o 0.8991000      2.110000      ?             ?      
1 1 1 12 20 70 o 3.952000       1.795000      ?             ?      
1 1 1 12 20 71 o 2.282000       1.625000      ?             ?      
1 1 1 12 21 0  o 2.624000       0.7757000     208.9628      -180.0 
1 1 1 12 21 1  o 341.1000       6.810000      2539.573      67.5   
1 1 1 12 21 2  o 6.332000       0.6225000     299.1861      14.1   
1 1 1 12 21 3  o 39.27000       1.244000      1154.027      -68.4  
1 1 1 12 21 4  o 178.5000       4.209000      1660.245      -26.6  
1 1 1 12 21 5  o 15.65000       0.8838000     723.2971      38.3   
1 1 1 12 21 6  o 274.5000       5.944000      2099.889      57.1   
1 1 1 12 21 7  o 44.95000       1.501000      1058.205      -165.2 
1 1 1 12 21 8  o 0.1273000E-01  0.8046000     363.1538      67.4   
1 1 1 12 21 9  o 522.1000       11.87000      3181.475      81.3   
1 1 1 12 21 10 o 47.66000       1.687000      1113.721      -123.5 
1 1 1 12 21 11 o 185.4000       4.378000      2351.001      -134.1 
1 1 1 12 21 12 o 143.5000       3.316000      2252.980      89.4   
1 1 1 12 21 13 o 177.5000       4.549000      1856.129      -109.2 
1 1 1 12 21 14 o 3.072000       0.9958000     489.2581      19.3   
1 1 1 12 21 15 o 132.2000       3.769000      1385.493      172.2  
1 1 1 12 21 16 o 174.0000       4.254000      1757.047      -38.4  
1 1 1 12 21 17 o 47.77000       1.522000      1311.662      -46.6  
1 1 1 12 21 18 f 64.36000       2.016000      1286.681      -121.4 
1 1 1 12 21 19 o 10.24000       1.507000      700.6238      146.9  
1 1 1 12 21 20 o 56.64000       2.241000      1021.354      43.6   
1 1 1 12 21 21 o 22.35000       2.690000      876.7592      25.5   
1 1 1 12 21 22 o 17.90000       1.114000      819.7827      -172.1 
1 1 1 12 21 23 o 33.57000       1.383000      530.3053      53.0   
1 1 1 12 21 24 o 189.3000       4.004000      2500.265      62.6   
1 1 1 12 21 25 o 64.81000       1.716000      1093.406      94.7   
1 1 1 12 21 26 o 27.62000       1.147000      718.1218      24.5   
1 1 1 12 21 27 o 30.88000       1.195000      551.8180      -99.9  
1 1 1 12 21 28 o 65.47000       1.725000      877.8419      -25.0  
1 1 1 12 21 29 o 21.89000       1.076000      762.8878      -61.8  
1 1 1 12 21 30 o 1.180000       0.9104000     150.5594      119.8  
1 1 1 12 21 31 o 37.49000       1.301000      959.7743      -55.1  
1 1 1 12 21 32 o 34.25000       1.252000      877.6610      -5.2   
1 1 1 12 21 33 o 2.424000       0.9265000     312.7187      43.3   
1 1 1 12 21 34 o 132.6000       2.974000      1661.282      169.0  
1 1 1 12 21 35 o 74.30000       1.940000      1303.430      -92.4  
1 1 1 12 21 36 o 10.84000       1.126000      363.7868      -16.3  
1 1 1 12 21 37 o 19.24000       1.125000      636.5198      -132.0 
1 1 1 12 21 38 o 38.66000       1.775000      829.1557      71.1   
1 1 1 12 21 39 o 31.88000       2.679000      911.9227      60.7   
1 1 1 12 21 40 o 30.01000       1.540000      735.4316      -53.0  
1 1 1 12 21 41 o 4.287000       1.209000      227.1475      -62.6  
1 1 1 12 21 42 o 26.68000       1.556000      707.8735      49.6   
1 1 1 12 21 43 o 13.99000       1.290000      510.8580      -173.4 
1 1 1 12 21 44 o 31.02000       1.384000      760.2339      -52.9  
1 1 1 12 21 45 o 63.52000       1.893000      1095.466      -164.4 
1 1 1 12 21 46 o -0.7512000E-02 1.145000      124.1348      56.3   
1 1 1 12 21 47 o 6.271000       1.187000      414.3033      -28.6  
1 1 1 12 21 48 o 19.05000       1.327000      628.0158      144.9  
1 1 1 12 21 49 o 29.91000       1.477000      733.9998      74.9   
1 1 1 12 21 50 o 38.99000       1.629000      812.5375      136.5  
1 1 1 12 21 51 o 5.548000       1.298000      242.4490      -57.2  
1 1 1 12 21 52 o 6.801000       1.329000      283.8501      114.9  
1 1 1 12 21 53 o 3.568000       1.319000      298.8629      64.9   
1 1 1 12 21 54 o 48.92000       2.221000      ?             ?      
1 1 1 12 21 55 o 3.092000       1.443000      ?             ?      
1 1 1 12 21 56 o 4.467000       1.304000      ?             ?      
1 1 1 12 21 57 o 0.2257000      1.399000      ?             ?      
1 1 1 12 21 58 o 9.267000       1.466000      ?             ?      
1 1 1 12 21 59 o 12.35000       1.526000      ?             ?      
1 1 1 12 21 60 o 2.008000       1.415000      ?             ?      
1 1 1 12 21 62 o 1.631000       1.270000      ?             ?      
1 1 1 12 21 63 o 4.221000       1.285000      ?             ?      
1 1 1 12 21 64 o 5.622000       1.307000      ?             ?      
1 1 1 12 21 65 o 1.463000       1.280000      ?             ?      
1 1 1 12 21 66 o 1.260000       1.300000      ?             ?      
1 1 1 12 21 67 o 1.415000       1.472000      ?             ?      
1 1 1 12 21 68 o 0.3174000      1.521000      ?             ?      
1 1 1 12 21 69 o -2.295000      1.700000      ?             ?      
1 1 1 12 21 70 o 1.165000       1.476000      ?             ?      
1 1 1 12 21 71 o 0.3653000      1.495000      ?             ?      
1 1 1 12 22 0  o 171.3000       5.712000      1994.473      180.0  
1 1 1 12 22 1  o 369.1000       7.880000      2809.144      -13.6  
1 1 1 12 22 2  o 65.98000       1.709000      1003.475      120.9  
1 1 1 12 22 3  o 98.38000       2.440000      1784.695      -130.0 
1 1 1 12 22 4  o 116.4000       2.684000      1524.604      168.1  
1 1 1 12 22 5  o 35.85000       1.146000      860.3790      17.2   
1 1 1 12 22 6  o 36.80000       1.432000      964.9923      -1.4   
1 1 1 12 22 7  o 101.5000       2.568000      1394.313      -138.7 
1 1 1 12 22 8  o 281.5000       6.497000      2339.890      174.6  
1 1 1 12 22 9  o 68.92000       1.822000      1536.380      55.2   
1 1 1 12 22 10 o 75.82000       2.302000      1281.891      -108.9 
1 1 1 12 22 11 o 58.58000       1.812000      1268.968      -51.2  
1 1 1 12 22 12 o 43.95000       1.798000      642.9314      176.5  
1 1 1 12 22 13 o 9.318000       1.048000      376.0373      -44.4  
1 1 1 12 22 14 o 137.8000       3.453000      1301.216      -53.7  
1 1 1 12 22 15 o 73.70000       2.355000      1264.187      117.7  
1 1 1 12 22 16 o 19.09000       1.166000      427.8933      137.8  
1 1 1 12 22 17 o 80.48000       2.691000      1467.612      -49.0  
1 1 1 12 22 18 o 291.3000       6.410000      2557.034      9.9    
1 1 1 12 22 19 o 33.00000       2.055000      239.6296      -11.3  
1 1 1 12 22 20 o 78.17000       3.317000      1234.202      -167.7 
1 1 1 12 22 21 o 20.44000       1.523000      505.8100      30.1   
1 1 1 12 22 22 o 45.77000       1.991000      943.5840      -59.2  
1 1 1 12 22 23 f 305.7000       6.721000      2461.103      -171.0 
1 1 1 12 22 24 o 24.29000       1.117000      799.1058      -163.3 
1 1 1 12 22 25 o 29.29000       1.161000      826.8688      120.2  
1 1 1 12 22 26 o 197.2000       4.124000      1923.356      -65.0  
1 1 1 12 22 27 o 9.803000       0.9309000     281.3434      109.0  
1 1 1 12 22 28 o 42.33000       1.337000      999.3530      -22.9  
1 1 1 12 22 29 o 59.47000       1.623000      1249.854      159.7  
1 1 1 12 22 30 o 3.160000       0.9098000     365.5623      120.8  
1 1 1 12 22 31 o 19.33000       1.057000      601.5769      -20.6  
1 1 1 12 22 32 o 3.353000       0.9182000     362.6717      -122.5 
1 1 1 12 22 33 o 7.283000       0.9550000     511.6700      -141.6 
1 1 1 12 22 34 o 125.3000       2.837000      1469.163      43.7   
1 1 1 12 22 35 o 0.6123000      0.9588000     277.0713      -44.8  
1 1 1 12 22 36 o 7.939000       0.9998000     424.4956      50.9   
1 1 1 12 22 37 o 25.35000       1.308000      985.0005      154.7  
1 1 1 12 22 38 o 17.30000       1.407000      394.4589      -48.2  
1 1 1 12 22 39 o 43.33000       1.914000      934.5995      4.9    
1 1 1 12 22 40 o 26.44000       1.533000      805.5732      -49.4  
1 1 1 12 22 41 o 52.34000       1.803000      998.1145      140.2  
1 1 1 12 22 42 o 7.564000       1.235000      427.0063      -149.5 
1 1 1 12 22 43 o 11.20000       1.410000      314.0095      66.3   
1 1 1 12 22 44 o 21.64000       1.406000      684.0318      -60.2  
1 1 1 12 22 45 o 17.28000       1.247000      552.3176      -162.3 
1 1 1 12 22 46 o 4.367000       1.154000      369.8080      121.6  
1 1 1 12 22 47 o 4.421000       1.168000      402.9052      109.3  
1 1 1 12 22 48 o 15.46000       1.288000      633.2374      -73.3  
1 1 1 12 22 49 o 11.17000       1.294000      573.7839      -38.1  
1 1 1 12 22 50 o 12.98000       1.332000      547.8159      154.9  
1 1 1 12 22 51 o 8.787000       1.311000      398.5625      -132.2 
1 1 1 12 22 52 o 43.58000       1.739000      891.6562      101.0  
1 1 1 12 22 53 o 7.870000       1.459000      410.8220      69.2   
1 1 1 12 22 54 o -0.3779000     1.620000      122.1944      100.0  
1 1 1 12 22 55 o 5.420000       1.438000      ?             ?      
1 1 1 12 22 56 o 3.369000       1.296000      ?             ?      
1 1 1 12 22 57 o 5.423000       1.425000      ?             ?      
1 1 1 12 22 58 o 3.672000       1.517000      ?             ?      
1 1 1 12 22 59 o 0.4981000      1.606000      ?             ?      
1 1 1 12 22 60 o 0.6398000      1.485000      ?             ?      
1 1 1 12 22 61 o 1.313000       1.381000      ?             ?      
1 1 1 12 22 62 o 8.314000       1.318000      ?             ?      
1 1 1 12 22 63 o 3.834000       1.281000      ?             ?      
1 1 1 12 22 64 o 2.103000       1.274000      ?             ?      
1 1 1 12 22 65 o 0.7836000      1.421000      ?             ?      
1 1 1 12 22 66 o 3.890000       1.467000      ?             ?      
1 1 1 12 22 67 o -0.9009000     1.651000      ?             ?      
1 1 1 12 22 68 o 2.599000       1.849000      ?             ?      
1 1 1 12 22 69 o -0.4102000     1.719000      ?             ?      
1 1 1 12 22 70 o 3.296000       1.518000      ?             ?      
1 1 1 12 23 0  o 150.9000       4.414000      2006.307      180.0  
1 1 1 12 23 1  o 9.922000       0.7712000     1049.889      -128.9 
1 1 1 12 23 2  o 20.93000       0.9125000     799.9832      84.8   
1 1 1 12 23 3  o 30.64000       1.340000      683.3367      -40.0  
1 1 1 12 23 4  o 287.5000       6.252000      2554.040      91.1   
1 1 1 12 23 5  o 22.44000       0.9609000     961.6446      -133.3 
1 1 1 12 23 6  o 6.827000       1.058000      414.5211      -28.3  
1 1 1 12 23 7  o 163.4000       3.524000      2057.639      179.2  
1 1 1 12 23 8  o -1.160000      0.9510000     171.1237      -55.9  
1 1 1 12 23 9  o 32.83000       1.328000      1184.375      105.3  
1 1 1 12 23 10 o 286.5000       5.997000      2472.780      176.3  
1 1 1 12 23 11 o 193.8000       4.131000      1766.947      44.7   
1 1 1 12 23 12 o 661.2000       14.79000      3174.332      48.2   
1 1 1 12 23 13 o 28.20000       1.177000      1052.912      -58.6  
1 1 1 12 23 14 o 63.03000       1.853000      901.0418      18.8   
1 1 1 12 23 15 o 273.8000       7.817000      2288.424      54.8   
1 1 1 12 23 16 o 29.00000       1.359000      710.9694      -28.5  
1 1 1 12 23 17 o 22.11000       1.509000      1025.445      -82.5  
1 1 1 12 23 18 o 13.10000       1.587000      646.5326      -49.7  
1 1 1 12 23 19 o 66.25000       3.454000      1288.261      98.6   
1 1 1 12 23 20 o 41.22000       2.378000      886.0103      57.9   
1 1 1 12 23 21 o 3.399000       1.424000      240.2360      -53.5  
1 1 1 12 23 22 o 11.80000       1.214000      460.8092      -91.8  
1 1 1 12 23 23 o 11.82000       1.010000      275.0823      158.3  
1 1 1 12 23 24 o 86.41000       2.080000      1243.338      55.9   
1 1 1 12 23 25 o 3.167000       0.8910000     228.0481      -24.0  
1 1 1 12 23 26 o 50.58000       1.454000      908.8802      142.5  
1 1 1 12 23 27 o 42.94000       1.436000      877.1903      -30.6  
1 1 1 12 23 28 o 19.90000       1.011000      736.4788      -70.5  
1 1 1 12 23 29 o 4.307000       1.007000      362.8087      -39.5  
1 1 1 12 23 30 o 43.85000       1.365000      1116.746      6.5    
1 1 1 12 23 31 o 6.543000       0.9195000     266.7141      -46.7  
1 1 1 12 23 32 o 17.72000       1.033000      530.0770      132.3  
1 1 1 12 23 33 o 24.64000       1.130000      803.0656      -163.1 
1 1 1 12 23 34 o 36.63000       1.314000      878.5201      -120.5 
1 1 1 12 23 35 o 44.24000       1.438000      1005.666      -18.0  
1 1 1 12 23 36 o 19.25000       1.124000      527.7644      119.2  
1 1 1 12 23 37 o 45.14000       1.660000      974.1790      156.0  
1 1 1 12 23 38 o 13.59000       1.292000      588.7697      -24.8  
1 1 1 12 23 39 o 23.04000       1.476000      815.0139      -32.6  
1 1 1 12 23 40 o 62.99000       2.156000      1112.772      -65.9  
1 1 1 12 23 41 o 1.720000       1.160000      255.7143      -161.7 
1 1 1 12 23 42 o -0.6596000     1.219000      337.8394      -126.9 
1 1 1 12 23 43 o 22.57000       1.554000      668.5286      161.4  
1 1 1 12 23 44 o 7.870000       1.290000      351.4270      76.9   
1 1 1 12 23 45 o 19.79000       1.276000      767.0689      115.6  
1 1 1 12 23 46 o 25.49000       1.342000      655.9230      -7.5   
1 1 1 12 23 47 o 8.017000       1.203000      331.9065      148.5  
1 1 1 12 23 48 o 28.40000       1.434000      827.7059      96.9   
1 1 1 12 23 49 o 2.372000       1.235000      259.8595      -7.4   
1 1 1 12 23 50 o 10.82000       1.322000      606.4537      47.9   
1 1 1 12 23 51 o -1.533000      1.254000      205.8797      -103.0 
1 1 1 12 23 52 o 10.02000       1.341000      594.1387      81.0   
1 1 1 12 23 53 o 4.936000       1.441000      420.4453      -68.6  
1 1 1 12 23 54 o 19.60000       1.616000      ?             ?      
1 1 1 12 23 55 o 11.49000       1.357000      ?             ?      
1 1 1 12 23 56 o 23.30000       1.469000      ?             ?      
1 1 1 12 23 57 o 7.066000       1.445000      ?             ?      
1 1 1 12 23 58 o 2.645000       1.503000      ?             ?      
1 1 1 12 23 59 o 1.466000       1.350000      ?             ?      
1 1 1 12 23 60 o 3.490000       1.393000      ?             ?      
1 1 1 12 23 61 o 2.905000       1.369000      ?             ?      
1 1 1 12 23 62 o 5.574000       1.264000      ?             ?      
1 1 1 12 23 63 o 0.7797000      1.364000      ?             ?      
1 1 1 12 23 64 o 1.309000       1.383000      ?             ?      
1 1 1 12 23 65 o 3.911000       1.413000      ?             ?      
1 1 1 12 23 66 o 0.1994000      1.290000      ?             ?      
1 1 1 12 23 67 o 7.111000       1.730000      ?             ?      
1 1 1 12 23 68 o 2.669000       1.713000      ?             ?      
1 1 1 12 23 69 o 0.8332000      1.351000      ?             ?      
1 1 1 12 23 70 o -1.250000      1.351000      ?             ?      
1 1 1 12 24 0  o 117.8000       3.614000      2007.105      -180.0 
1 1 1 12 24 1  o 125.6000       2.670000      1480.615      -123.1 
1 1 1 12 24 2  o 135.4000       3.072000      1567.523      -157.6 
1 1 1 12 24 3  o 233.3000       5.472000      2233.439      178.9  
1 1 1 12 24 4  o 158.5000       3.809000      1801.484      3.1    
1 1 1 12 24 5  o 155.9000       3.974000      1725.543      -7.5   
1 1 1 12 24 6  o 73.37000       1.911000      1203.535      -151.5 
1 1 1 12 24 7  o 166.5000       3.614000      1581.877      -123.7 
1 1 1 12 24 8  o 104.7000       2.867000      1507.986      -105.0 
1 1 1 12 24 9  o 17.89000       1.311000      782.1542      -25.1  
1 1 1 12 24 10 o 99.78000       2.461000      1622.876      -72.3  
1 1 1 12 24 11 o 30.65000       1.560000      723.9797      115.8  
1 1 1 12 24 12 o 629.0000       13.44000      3439.483      128.4  
1 1 1 12 24 13 o 139.9000       3.703000      1498.514      91.2   
1 1 1 12 24 14 o 39.72000       1.497000      935.7522      150.9  
1 1 1 12 24 15 o 10.78000       1.420000      284.5605      113.8  
1 1 1 12 24 16 o 98.04000       2.760000      1784.168      59.9   
1 1 1 12 24 17 o 7.912000       2.169000      502.0855      -41.4  
1 1 1 12 24 18 o 119.6000       4.030000      1671.456      -11.5  
1 1 1 12 24 19 o 135.8000       4.344000      1683.487      -141.4 
1 1 1 12 24 20 o 32.86000       2.025000      608.9007      -3.8   
1 1 1 12 24 21 o 41.06000       1.865000      1001.311      -16.2  
1 1 1 12 24 22 o 153.7000       3.659000      1541.272      -51.6  
1 1 1 12 24 23 o 141.7000       3.869000      1560.370      143.0  
1 1 1 12 24 24 o 21.76000       1.083000      633.0466      90.9   
1 1 1 12 24 25 o 36.71000       1.238000      1026.889      -150.2 
1 1 1 12 24 26 o 49.61000       1.439000      1116.685      -52.0  
1 1 1 12 24 27 o 7.304000       0.8736000     425.1605      -146.2 
1 1 1 12 24 28 o 41.57000       1.311000      1224.037      36.7   
1 1 1 12 24 29 o 29.29000       1.142000      761.0095      70.4   
1 1 1 12 24 30 o 5.661000       0.9111000     387.5829      146.6  
1 1 1 12 24 31 o 31.44000       1.202000      667.2054      -178.4 
1 1 1 12 24 32 o 9.451000       0.9585000     270.7941      -106.8 
1 1 1 12 24 33 o 19.61000       1.067000      581.9194      43.9   
1 1 1 12 24 34 o 13.90000       1.020000      561.6349      62.0   
1 1 1 12 24 35 o 2.815000       0.9538000     176.3131      -120.0 
1 1 1 12 24 36 o 26.98000       1.306000      719.9997      91.2   
1 1 1 12 24 37 o 40.04000       1.703000      937.3688      -21.1  
1 1 1 12 24 38 o 32.48000       1.470000      824.5239      -26.6  
1 1 1 12 24 39 o 35.48000       1.374000      741.5143      -3.0   
1 1 1 12 24 40 o 2.512000       1.138000      237.9653      155.7  
1 1 1 12 24 41 o 15.21000       1.368000      654.1682      89.1   
1 1 1 12 24 42 o 44.51000       1.699000      971.3360      -130.3 
1 1 1 12 24 43 o 35.84000       1.622000      770.0996      -179.6 
1 1 1 12 24 44 o 8.802000       1.418000      316.1937      -115.5 
1 1 1 12 24 45 o 14.25000       1.353000      547.1190      -171.7 
1 1 1 12 24 46 o 7.455000       1.176000      412.6364      146.4  
1 1 1 12 24 47 o 1.831000       1.166000      254.2999      -149.8 
1 1 1 12 24 48 o 8.775000       1.256000      455.8556      162.3  
1 1 1 12 24 49 o 8.327000       1.276000      360.4319      126.3  
1 1 1 12 24 50 o 7.990000       1.287000      432.6573      -59.3  
1 1 1 12 24 51 o 8.597000       1.297000      362.2688      114.2  
1 1 1 12 24 52 o -1.322000      1.390000      80.06012      147.6  
1 1 1 12 24 53 o 1.550000       1.624000      141.0638      46.0   
1 1 1 12 24 54 o 0.1607000      1.423000      ?             ?      
1 1 1 12 24 55 o 15.67000       1.391000      ?             ?      
1 1 1 12 24 56 o 3.906000       1.278000      ?             ?      
1 1 1 12 24 57 o 11.30000       1.336000      ?             ?      
1 1 1 12 24 58 o 2.509000       1.387000      ?             ?      
1 1 1 12 24 59 o 8.278000       1.418000      ?             ?      
1 1 1 12 24 60 o -0.5048000     1.581000      ?             ?      
1 1 1 12 24 61 o -1.986000      1.446000      ?             ?      
1 1 1 12 24 62 o 5.931000       1.397000      ?             ?      
1 1 1 12 24 63 o 0.9034000      1.369000      ?             ?      
1 1 1 12 24 64 o 3.300000       1.279000      ?             ?      
1 1 1 12 24 65 o 1.833000       1.384000      ?             ?      
1 1 1 12 24 66 o -0.1285000     1.664000      ?             ?      
1 1 1 12 24 67 o 5.350000       1.630000      ?             ?      
1 1 1 12 24 68 o 2.265000       2.049000      ?             ?      
1 1 1 12 24 69 o -0.6633000     1.325000      ?             ?      
1 1 1 12 24 70 o -0.6031000     1.899000      ?             ?      
1 1 1 12 25 0  o 103.9000       3.254000      1697.305      180.0  
1 1 1 12 25 1  o 68.86000       1.800000      1279.914      -100.0 
1 1 1 12 25 2  o 71.17000       1.758000      1106.145      116.7  
1 1 1 12 25 3  o 19.95000       0.9988000     1037.378      -58.4  
1 1 1 12 25 4  o 29.01000       1.182000      646.0202      137.4  
1 1 1 12 25 5  o 1.161000       0.8716000     86.79261      68.9   
1 1 1 12 25 6  o 100.2000       2.391000      1516.238      -39.2  
1 1 1 12 25 7  o 85.74000       2.430000      1289.307      -175.1 
1 1 1 12 25 8  o 7.951000       1.089000      663.7626      22.4   
1 1 1 12 25 9  o 214.7000       5.212000      1796.187      102.4  
1 1 1 12 25 10 o 136.0000       3.449000      1955.019      164.6  
1 1 1 12 25 11 o 46.17000       1.564000      1086.389      65.5   
1 1 1 12 25 12 o 6.885000       1.096000      435.6608      -80.5  
1 1 1 12 25 13 o 75.27000       2.348000      1542.319      -154.3 
1 1 1 12 25 14 o 13.99000       1.176000      539.3005      65.3   
1 1 1 12 25 15 o 34.76000       1.477000      801.5699      13.7   
1 1 1 12 25 16 o 105.2000       2.658000      1611.954      -22.2  
1 1 1 12 25 17 o 25.88000       1.574000      539.6662      18.5   
1 1 1 12 25 18 o 26.31000       1.622000      1037.350      -13.9  
1 1 1 12 25 20 o 63.50000       2.487000      1169.077      34.5   
1 1 1 12 25 21 o 52.05000       1.932000      1029.328      89.6   
1 1 1 12 25 22 o 3.867000       1.250000      581.5446      160.8  
1 1 1 12 25 23 o 118.4000       3.502000      1505.125      147.3  
1 1 1 12 25 24 o 139.5000       4.011000      1583.361      -50.5  
1 1 1 12 25 25 o 3.385000       0.8679000     297.9742      71.1   
1 1 1 12 25 26 o 25.43000       1.071000      580.7349      109.0  
1 1 1 12 25 27 o 45.56000       1.369000      1089.766      75.6   
1 1 1 12 25 28 o 13.25000       0.9491000     557.0309      -84.4  
1 1 1 12 25 29 o 19.39000       1.003000      470.4434      -164.5 
1 1 1 12 25 30 o 7.732000       0.9210000     440.5114      -38.3  
1 1 1 12 25 31 o 20.60000       1.062000      749.5730      -166.2 
1 1 1 12 25 32 o 8.658000       0.9463000     498.5489      41.0   
1 1 1 12 25 33 o 29.15000       1.194000      706.9241      48.5   
1 1 1 12 25 34 o 7.847000       0.9649000     307.5379      26.2   
1 1 1 12 25 35 o 4.285000       0.9803000     317.3051      65.9   
1 1 1 12 25 36 o 28.00000       1.354000      687.1362      -153.9 
1 1 1 12 25 37 o 3.103000       1.144000      321.6726      -122.3 
1 1 1 12 25 38 o 20.02000       1.210000      548.5103      24.6   
1 1 1 12 25 39 o 14.15000       1.112000      578.6834      -125.5 
1 1 1 12 25 40 o 2.958000       1.154000      379.9598      -25.8  
1 1 1 12 25 41 o -0.4981000     1.249000      207.4613      -69.2  
1 1 1 12 25 42 o 2.884000       1.207000      231.1906      -58.2  
1 1 1 12 25 43 o 11.47000       1.193000      553.2604      -18.3  
1 1 1 12 25 44 o 5.599000       1.294000      450.2294      27.1   
1 1 1 12 25 45 o 15.84000       1.388000      609.5229      -156.2 
1 1 1 12 25 46 o 10.01000       1.220000      422.0684      -27.1  
1 1 1 12 25 47 o 3.744000       1.213000      262.1558      149.8  
1 1 1 12 25 48 o 9.042000       1.282000      488.4843      23.5   
1 1 1 12 25 49 o 0.4734000      1.239000      249.3660      -7.5   
1 1 1 12 25 50 o 14.66000       1.354000      606.1318      72.5   
1 1 1 12 25 51 o 0.4369000      1.256000      217.3714      -32.2  
1 1 1 12 25 52 o 5.194000       1.397000      280.7597      -66.8  
1 1 1 12 25 53 o -0.3844000     1.415000      ?             ?      
1 1 1 12 25 54 o -0.4366000     1.259000      ?             ?      
1 1 1 12 25 55 o 2.731000       1.267000      ?             ?      
1 1 1 12 25 56 o 1.242000       1.251000      ?             ?      
1 1 1 12 25 57 o 10.91000       1.307000      ?             ?      
1 1 1 12 25 58 o -0.1432000     1.363000      ?             ?      
1 1 1 12 25 59 o 6.229000       1.814000      ?             ?      
1 1 1 12 25 60 o -1.317000      1.457000      ?             ?      
1 1 1 12 25 61 o 6.449000       1.409000      ?             ?      
1 1 1 12 25 62 o 0.7603000      1.468000      ?             ?      
1 1 1 12 25 63 o 1.606000       1.368000      ?             ?      
1 1 1 12 25 64 o -0.6368000     1.384000      ?             ?      
1 1 1 12 25 65 o 3.238000       1.439000      ?             ?      
1 1 1 12 25 66 o -0.8450000     1.406000      ?             ?      
1 1 1 12 25 67 o 0.2617000      1.435000      ?             ?      
1 1 1 12 25 68 o -0.5977000E-01 1.304000      ?             ?      
1 1 1 12 25 69 o 0.5166000E-02  1.318000      ?             ?      
1 1 1 12 26 0  o 0.7088000      1.133000      543.5950      -0.0   
1 1 1 12 26 1  o 2.735000       0.7919000     497.4156      -1.8   
1 1 1 12 26 2  o 4.428000       0.8256000     208.0393      47.8   
1 1 1 12 26 3  o 48.13000       1.416000      694.8022      -169.4 
1 1 1 12 26 4  o 5.567000       0.9152000     230.6852      -47.6  
1 1 1 12 26 5  o 3.493000       0.9477000     251.3522      116.1  
1 1 1 12 26 6  o 3.020000       0.9146000     386.7409      -43.8  
1 1 1 12 26 7  o 4.290000       0.9747000     307.8262      -94.7  
1 1 1 12 26 8  o 23.93000       1.414000      672.1866      -176.6 
1 1 1 12 26 9  o -0.4137000     1.093000      300.1502      -133.9 
1 1 1 12 26 10 o 24.62000       1.359000      962.4709      -113.8 
1 1 1 12 26 11 o 27.63000       1.288000      805.3558      -65.2  
1 1 1 12 26 12 o 17.70000       1.134000      892.4272      57.9   
1 1 1 12 26 13 o 51.44000       1.692000      1099.917      127.9  
1 1 1 12 26 14 o 23.01000       1.226000      526.4822      113.7  
1 1 1 12 26 15 o 3.585000       1.077000      257.2845      29.3   
1 1 1 12 26 16 o 24.39000       1.522000      982.3326      79.2   
1 1 1 12 26 17 o 20.80000       1.522000      638.8248      -136.1 
1 1 1 12 26 18 o 56.78000       1.879000      1230.601      -80.5  
1 1 1 12 26 19 o 10.22000       1.438000      419.8427      106.0  
1 1 1 12 26 20 o 14.73000       1.130000      736.7303      -1.3   
1 1 1 12 26 21 o 4.356000       1.072000      334.1474      -148.7 
1 1 1 12 26 22 o 4.060000       1.069000      431.4149      148.7  
1 1 1 12 26 23 o 24.47000       1.650000      647.0339      87.2   
1 1 1 12 26 24 o 69.65000       2.475000      1155.720      -168.2 
1 1 1 12 26 25 o 7.686000       1.111000      395.8495      -96.8  
1 1 1 12 26 26 o 7.377000       0.9034000     673.3867      -129.1 
1 1 1 12 26 27 o 4.144000       0.9027000     230.8752      26.6   
1 1 1 12 26 28 o 16.06000       0.9907000     557.0065      87.8   
1 1 1 12 26 29 o 6.285000       0.9006000     287.8980      64.9   
1 1 1 12 26 30 o 19.30000       1.041000      691.7086      135.9  
1 1 1 12 26 31 o 14.57000       0.9921000     624.1597      118.0  
1 1 1 12 26 32 o 13.88000       0.9917000     469.6511      177.4  
1 1 1 12 26 33 o 7.772000       0.9414000     438.0764      146.7  
1 1 1 12 26 34 o 6.499000       0.9467000     378.1474      114.1  
1 1 1 12 26 35 o 6.987000       1.022000      291.8478      51.1   
1 1 1 12 26 36 o 3.485000       1.087000      168.2968      -65.8  
1 1 1 12 26 37 o 8.256000       1.119000      552.8688      -84.4  
1 1 1 12 26 38 o 11.11000       1.217000      600.3217      -129.1 
1 1 1 12 26 39 o 52.64000       1.655000      1131.695      46.3   
1 1 1 12 26 40 o 20.80000       1.227000      716.0798      49.1   
1 1 1 12 26 41 o 26.24000       1.440000      711.6068      153.3  
1 1 1 12 26 42 o 24.32000       1.527000      638.1480      137.2  
1 1 1 12 26 43 o 5.842000       1.258000      302.4006      125.5  
1 1 1 12 26 44 o 23.33000       1.482000      626.7411      -43.7  
1 1 1 12 26 45 o 4.354000       1.417000      219.8737      -172.0 
1 1 1 12 26 46 o 3.958000       1.331000      243.9791      -138.3 
1 1 1 12 26 47 o 9.622000       1.283000      386.4081      80.5   
1 1 1 12 26 48 o 14.10000       1.331000      546.6507      123.0  
1 1 1 12 26 49 o 0.4854000      1.248000      22.32310      -89.7  
1 1 1 12 26 50 o 3.831000       1.261000      353.1144      -93.7  
1 1 1 12 26 51 o 7.457000       1.402000      463.0171      114.4  
1 1 1 12 26 52 o -0.4899000     1.486000      120.0136      99.2   
1 1 1 12 26 53 o 13.03000       1.478000      ?             ?      
1 1 1 12 26 54 o 1.392000       1.242000      ?             ?      
1 1 1 12 26 55 o 12.53000       1.320000      ?             ?      
1 1 1 12 26 56 o -1.101000      1.231000      ?             ?      
1 1 1 12 26 57 o 2.887000       1.363000      ?             ?      
1 1 1 12 26 58 o 1.182000       1.376000      ?             ?      
1 1 1 12 26 59 o 0.3578000      1.519000      ?             ?      
1 1 1 12 26 60 o 4.336000       1.637000      ?             ?      
1 1 1 12 26 61 o 3.058000       1.604000      ?             ?      
1 1 1 12 26 62 o -2.360000      1.752000      ?             ?      
1 1 1 12 26 63 o 1.016000       1.679000      ?             ?      
1 1 1 12 26 64 o 1.356000       1.252000      ?             ?      
1 1 1 12 26 66 o 1.724000       1.642000      ?             ?      
1 1 1 12 26 67 o 1.103000       1.439000      ?             ?      
1 1 1 12 26 68 o -0.3776000     1.297000      ?             ?      
1 1 1 12 26 69 o 1.103000       1.307000      ?             ?      
1 1 1 12 27 0  o 41.70000       2.053000      808.7426      0.0    
1 1 1 12 27 1  o 17.72000       1.080000      496.7488      169.9  
1 1 1 12 27 2  o 203.4000       5.266000      1898.984      -129.0 
1 1 1 12 27 3  o 23.63000       1.091000      886.7258      -39.8  
1 1 1 12 27 4  o 9.246000       0.9847000     455.1886      -92.1  
1 1 1 12 27 5  o 12.21000       1.012000      272.1551      -109.7 
1 1 1 12 27 6  o 11.67000       0.9884000     464.1139      -46.3  
1 1 1 12 27 7  o 25.08000       1.391000      817.7189      155.4  
1 1 1 12 27 8  o 61.80000       2.059000      922.0253      1.1    
1 1 1 12 27 9  o 23.95000       1.362000      1085.974      144.1  
1 1 1 12 27 10 o 17.45000       1.213000      764.7850      -82.1  
1 1 1 12 27 11 o 3.899000       1.039000      362.4682      179.3  
1 1 1 12 27 12 o 4.224000       1.030000      172.5953      163.0  
1 1 1 12 27 13 o 16.79000       1.079000      802.0596      118.1  
1 1 1 12 27 14 o 32.20000       1.378000      809.5841      -91.0  
1 1 1 12 27 15 o 0.5152000      1.291000      174.2054      -36.4  
1 1 1 12 27 16 o 28.29000       1.392000      822.9960      -58.7  
1 1 1 12 27 17 o 1.720000       1.109000      275.6895      117.8  
1 1 1 12 27 18 o 5.032000       1.359000      196.0526      -68.9  
1 1 1 12 27 19 o 7.856000       1.368000      181.8985      75.0   
1 1 1 12 27 20 o 2.919000       1.112000      196.5074      83.5   
1 1 1 12 27 21 o 3.488000       1.135000      220.3863      71.4   
1 1 1 12 27 22 o 4.610000       0.9909000     376.3033      176.8  
1 1 1 12 27 23 o 11.99000       1.248000      613.2190      -169.0 
1 1 1 12 27 24 o 38.61000       1.821000      1104.354      -42.7  
1 1 1 12 27 25 o 19.34000       1.432000      565.0297      -162.3 
1 1 1 12 27 26 o 4.265000       0.9372000     268.1555      57.6   
1 1 1 12 27 27 f 30.42000       1.227000      626.5451      129.2  
1 1 1 12 27 28 o 17.22000       1.014000      663.4778      -143.6 
1 1 1 12 27 29 o 24.44000       1.151000      676.6329      -155.4 
1 1 1 12 27 30 o 14.35000       1.035000      649.9261      121.8  
1 1 1 12 27 31 o 5.785000       0.9042000     417.1556      -164.4 
1 1 1 12 27 32 o 5.038000       0.9058000     259.7506      -9.0   
1 1 1 12 27 33 o 1.421000       0.9177000     193.7987      125.7  
1 1 1 12 27 34 o 19.04000       1.130000      596.6024      -121.0 
1 1 1 12 27 35 o 23.65000       1.350000      608.9569      -96.3  
1 1 1 12 27 36 o 2.137000       1.125000      141.7429      -40.7  
1 1 1 12 27 37 o -0.4014000     1.016000      136.8449      47.8   
1 1 1 12 27 38 o 21.24000       1.184000      636.0247      153.2  
1 1 1 12 27 39 o 3.890000       1.047000      346.9704      -151.3 
1 1 1 12 27 40 o 15.99000       1.181000      593.9371      164.7  
1 1 1 12 27 41 o 0.7350000      1.197000      145.1592      63.5   
1 1 1 12 27 42 o 7.240000       1.361000      402.3554      12.5   
1 1 1 12 27 43 o 1.647000       1.264000      222.9684      -13.1  
1 1 1 12 27 44 o 3.085000       1.200000      200.8325      17.8   
1 1 1 12 27 45 o 3.457000       1.343000      176.8715      129.6  
1 1 1 12 27 46 o 2.886000       1.495000      161.1298      -118.3 
1 1 1 12 27 47 o 2.866000       1.367000      241.4100      -67.8  
1 1 1 12 27 48 o 3.863000       1.262000      268.4420      87.6   
1 1 1 12 27 49 o -1.351000      1.239000      208.0577      -58.2  
1 1 1 12 27 50 o 2.062000       1.297000      176.7269      104.6  
1 1 1 12 27 51 o 2.051000       1.366000      207.6721      -135.1 
1 1 1 12 27 52 o 0.9015000      1.372000      ?             ?      
1 1 1 12 27 53 o 7.232000       1.271000      ?             ?      
1 1 1 12 27 54 o 1.572000       1.351000      ?             ?      
1 1 1 12 27 55 o 6.467000       1.403000      ?             ?      
1 1 1 12 27 56 o 3.534000       1.367000      ?             ?      
1 1 1 12 27 57 o 9.911000       1.432000      ?             ?      
1 1 1 12 27 58 o 0.2083000      1.367000      ?             ?      
1 1 1 12 27 59 o -0.7266000     1.457000      ?             ?      
1 1 1 12 27 60 o 2.044000       1.472000      ?             ?      
1 1 1 12 27 61 o -0.2795000     1.455000      ?             ?      
1 1 1 12 27 62 o 0.1352000      1.351000      ?             ?      
1 1 1 12 27 63 o -0.1258000     1.376000      ?             ?      
1 1 1 12 27 64 o 1.253000       1.255000      ?             ?      
1 1 1 12 27 65 o 1.297000       1.426000      ?             ?      
1 1 1 12 27 66 o 0.9428000      1.944000      ?             ?      
1 1 1 12 27 67 o -2.443000      1.282000      ?             ?      
1 1 1 12 27 68 o -1.177000      1.318000      ?             ?      
1 1 1 12 28 0  o 76.38000       2.629000      984.3452      -0.0   
1 1 1 12 28 1  o 36.10000       1.243000      691.5419      -39.1  
1 1 1 12 28 2  o 28.42000       1.124000      682.9275      -169.8 
1 1 1 12 28 3  o 22.60000       1.162000      716.5005      -20.4  
1 1 1 12 28 4  o 15.10000       1.012000      551.7123      49.3   
1 1 1 12 28 5  o 3.844000       0.9739000     293.1425      -40.2  
1 1 1 12 28 6  o 16.41000       1.025000      418.6076      131.3  
1 1 1 12 28 7  o 8.272000       0.9860000     236.4865      8.6    
1 1 1 12 28 8  o 23.36000       1.367000      526.6072      -99.5  
1 1 1 12 28 9  o 5.856000       1.065000      542.2950      -152.1 
1 1 1 12 28 10 o 19.30000       1.268000      597.3455      -29.4  
1 1 1 12 28 11 o 5.852000       1.054000      420.8381      34.9   
1 1 1 12 28 12 o 27.56000       1.365000      595.0121      145.9  
1 1 1 12 28 13 o 10.93000       1.065000      591.4823      152.6  
1 1 1 12 28 14 o 1.042000       1.024000      124.5574      -119.4 
1 1 1 12 28 15 o 29.69000       1.576000      865.8492      4.3    
1 1 1 12 28 16 o 8.252000       1.325000      398.3899      143.5  
1 1 1 12 28 17 o 11.34000       1.156000      277.7941      -124.6 
1 1 1 12 28 18 o 3.609000       1.314000      393.8360      3.1    
1 1 1 12 28 19 o 5.302000       1.083000      267.7690      -16.0  
1 1 1 12 28 20 o 4.722000       1.082000      149.7726      178.4  
1 1 1 12 28 21 o 65.09000       2.132000      1103.993      -168.7 
1 1 1 12 28 22 o 16.25000       1.151000      521.6849      24.1   
1 1 1 12 28 23 o 12.31000       1.117000      474.1962      -27.2  
1 1 1 12 28 24 o 1.685000       1.232000      219.8464      107.5  
1 1 1 12 28 25 o 4.633000       1.113000      459.4305      24.5   
1 1 1 12 28 26 o 5.512000       1.088000      352.6017      -131.0 
1 1 1 12 28 27 o 2.562000       0.9119000     225.8660      152.6  
1 1 1 12 28 28 o 20.87000       1.126000      409.6045      -170.9 
1 1 1 12 28 29 o -0.1451000     0.9078000     138.1005      141.3  
1 1 1 12 28 30 o 4.894000       0.9481000     337.6443      39.4   
1 1 1 12 28 31 o 0.1562000      0.9005000     281.2751      -150.0 
1 1 1 12 28 32 o 6.809000       0.9621000     278.9518      -101.9 
1 1 1 12 28 33 o 12.31000       1.047000      567.0048      -25.2  
1 1 1 12 28 34 o 2.670000       0.9908000     216.9275      127.2  
1 1 1 12 28 35 o 1.410000       1.078000      107.0308      -100.2 
1 1 1 12 28 36 o 9.096000       1.090000      448.8788      -123.3 
1 1 1 12 28 37 o 13.86000       1.083000      503.5605      -140.0 
1 1 1 12 28 38 o -0.4696000E-01 1.008000      17.01665      143.9  
1 1 1 12 28 39 o 2.794000       1.048000      312.0924      -33.2  
1 1 1 12 28 40 o 13.96000       1.290000      621.0763      176.9  
1 1 1 12 28 41 o 8.109000       1.163000      403.4379      -146.5 
1 1 1 12 28 42 o 17.33000       1.382000      583.6257      96.4   
1 1 1 12 28 43 o -0.7637000E-01 1.353000      151.9326      -11.1  
1 1 1 12 28 44 o 6.038000       1.327000      279.2245      -23.5  
1 1 1 12 28 45 o 2.692000       1.378000      262.4241      81.1   
1 1 1 12 28 46 o 1.918000       1.510000      97.05701      -128.9 
1 1 1 12 28 47 o 22.50000       1.586000      621.3823      -9.0   
1 1 1 12 28 48 o 3.270000       1.265000      145.4023      117.0  
1 1 1 12 28 49 o 2.266000       1.236000      212.4384      -153.9 
1 1 1 12 28 50 o 5.246000       1.380000      184.0848      49.7   
1 1 1 12 28 51 o 3.241000       1.485000      ?             ?      
1 1 1 12 28 52 o 0.3846000      1.298000      ?             ?      
1 1 1 12 28 53 o 3.118000       1.381000      ?             ?      
1 1 1 12 28 54 f 4.090000       1.388000      ?             ?      
1 1 1 12 28 55 o 5.429000       1.392000      ?             ?      
1 1 1 12 28 56 o 0.6584000      1.355000      ?             ?      
1 1 1 12 28 57 o -0.7283000     1.303000      ?             ?      
1 1 1 12 28 58 o -0.7665000     1.351000      ?             ?      
1 1 1 12 28 59 o 2.952000       1.363000      ?             ?      
1 1 1 12 28 60 o 0.2771000      1.347000      ?             ?      
1 1 1 12 28 61 o -0.7393000     1.321000      ?             ?      
1 1 1 12 28 62 o 0.9182000      1.374000      ?             ?      
1 1 1 12 28 63 o 2.321000       1.510000      ?             ?      
1 1 1 12 28 64 o -1.093000      1.578000      ?             ?      
1 1 1 12 28 65 o 2.182000       1.635000      ?             ?      
1 1 1 12 28 66 o 2.061000       1.365000      ?             ?      
1 1 1 12 28 67 o -0.8098000     1.288000      ?             ?      
1 1 1 12 28 68 o -0.5088000     1.801000      ?             ?      
1 1 1 12 29 0  o 12.35000       1.263000      499.0799      -0.0   
1 1 1 12 29 1  o 15.04000       0.9409000     594.4156      -141.6 
1 1 1 12 29 2  o 31.96000       1.136000      647.1102      89.0   
1 1 1 12 29 3  o 79.90000       2.717000      1052.965      -75.4  
1 1 1 12 29 4  o 4.488000       0.8781000     146.4708      -143.6 
1 1 1 12 29 5  o 4.611000       0.9502000     422.1886      115.0  
1 1 1 12 29 6  o 14.89000       1.024000      517.6675      -33.4  
1 1 1 12 29 7  o 7.798000       0.9702000     247.6927      -136.5 
1 1 1 12 29 8  o 3.388000       0.8907000     195.5148      -65.7  
1 1 1 12 29 9  o 9.813000       1.072000      494.9673      52.7   
1 1 1 12 29 10 o 0.5811000      1.021000      154.9010      -104.0 
1 1 1 12 29 11 o 3.912000       1.043000      372.6186      86.9   
1 1 1 12 29 12 o 32.23000       1.461000      559.3026      149.0  
1 1 1 12 29 13 o -2.718000      1.267000      147.5525      -124.8 
1 1 1 12 29 14 o 1.684000       1.457000      150.3794      -104.7 
1 1 1 12 29 15 o 1.583000       1.267000      166.3118      170.8  
1 1 1 12 29 16 o 2.715000       1.083000      284.3038      -153.6 
1 1 1 12 29 17 o 9.978000       1.434000      378.8358      15.7   
1 1 1 12 29 18 o 5.245000       1.294000      180.8052      -63.2  
1 1 1 12 29 19 o 1.977000       1.025000      126.1912      136.2  
1 1 1 12 29 20 o 2.987000       1.020000      206.6275      14.8   
1 1 1 12 29 21 o 2.072000       1.019000      262.8577      -113.5 
1 1 1 12 29 22 o 5.494000       1.015000      286.7716      52.7   
1 1 1 12 29 23 f 5.596000       0.9521000     254.8410      159.9  
1 1 1 12 29 24 o 0.1333000E-01  0.9339000     210.7486      48.9   
1 1 1 12 29 25 o 13.68000       1.254000      464.2871      104.2  
1 1 1 12 29 26 o 1.711000       1.126000      97.04501      3.6    
1 1 1 12 29 27 o 12.22000       1.219000      402.6593      -99.4  
1 1 1 12 29 28 o 4.522000       0.8926000     292.0157      -129.0 
1 1 1 12 29 29 o 0.5614000      0.8466000     151.3519      150.2  
1 1 1 12 29 30 o 2.423000       0.9125000     180.5026      66.9   
1 1 1 12 29 31 o 5.849000       0.9763000     286.4396      -162.2 
1 1 1 12 29 32 o 3.614000       0.9760000     296.4444      63.3   
1 1 1 12 29 33 o -0.5813000     1.018000      66.03240      -157.6 
1 1 1 12 29 34 o 1.387000       1.082000      216.6499      26.6   
1 1 1 12 29 35 o 3.530000       1.131000      271.1357      -68.4  
1 1 1 12 29 36 o -0.1824000     1.060000      132.7248      -106.3 
1 1 1 12 29 37 o 2.331000       1.007000      237.1649      -71.3  
1 1 1 12 29 38 o -0.1726000     1.024000      109.4969      80.4   
1 1 1 12 29 39 o 6.060000       1.075000      349.1677      -167.1 
1 1 1 12 29 40 o 2.671000       1.092000      129.7834      25.7   
1 1 1 12 29 41 o 3.748000       1.149000      310.6574      -116.7 
1 1 1 12 29 42 o -3.269000      1.551000      124.6043      -3.5   
1 1 1 12 29 43 o 1.102000       1.354000      60.49749      41.1   
1 1 1 12 29 44 o 0.6948000      1.291000      141.7449      77.9   
1 1 1 12 29 45 o 1.738000       1.230000      148.2871      -58.6  
1 1 1 12 29 46 o -0.5432000E-01 1.392000      57.84621      -108.6 
1 1 1 12 29 47 o 7.779000       1.604000      378.5513      74.9   
1 1 1 12 29 48 o 5.343000       1.417000      290.3161      110.1  
1 1 1 12 29 49 o 4.021000       1.315000      260.4486      -154.5 
1 1 1 12 29 50 o 6.145000       1.521000      ?             ?      
1 1 1 12 29 51 o 1.574000       1.576000      ?             ?      
1 1 1 12 29 52 o 3.230000       1.270000      ?             ?      
1 1 1 12 29 53 o 2.110000       1.366000      ?             ?      
1 1 1 12 29 54 o 1.103000       1.216000      ?             ?      
1 1 1 12 29 55 o 2.064000       1.311000      ?             ?      
1 1 1 12 29 56 o 0.7384000      1.339000      ?             ?      
1 1 1 12 29 57 o 0.3480000      1.323000      ?             ?      
1 1 1 12 29 58 o 3.060000       1.211000      ?             ?      
1 1 1 12 29 59 o -0.3719000     1.198000      ?             ?      
1 1 1 12 29 60 o -0.1525000E-01 1.349000      ?             ?      
1 1 1 12 29 61 o 0.2453000      1.453000      ?             ?      
1 1 1 12 29 62 o 0.9152000      1.356000      ?             ?      
1 1 1 12 29 63 o 0.8818000E-01  1.392000      ?             ?      
1 1 1 12 29 64 o 0.9252000      1.773000      ?             ?      
1 1 1 12 29 65 o -0.1281000     1.432000      ?             ?      
1 1 1 12 29 66 o 0.3182000      1.288000      ?             ?      
1 1 1 12 29 67 o -1.278000      1.300000      ?             ?      
1 1 1 12 30 0  o -0.9762000     1.091000      36.20784      -0.0   
1 1 1 12 30 1  o 0.6297000      0.7892000     202.5905      -150.3 
1 1 1 12 30 2  o 2.443000       0.7829000     76.21071      -82.0  
1 1 1 12 30 3  o 3.590000       0.8020000     386.8924      -57.6  
1 1 1 12 30 4  f 8.822000       0.8926000     290.6022      -93.0  
1 1 1 12 30 5  o 0.5425000      0.8973000     244.3895      -153.1 
1 1 1 12 30 6  o 4.607000       0.9463000     157.8929      34.6   
1 1 1 12 30 7  o 3.978000       0.9231000     155.7126      113.7  
1 1 1 12 30 8  o 5.818000       0.8983000     152.8556      -172.3 
1 1 1 12 30 9  o 6.846000       1.069000      186.6727      -14.8  
1 1 1 12 30 10 o 6.696000       1.022000      358.4262      84.5   
1 1 1 12 30 11 o 0.4604000      0.9960000     123.8252      -37.3  
1 1 1 12 30 12 o 0.9357000      0.9690000     248.6857      171.5  
1 1 1 12 30 13 o -0.7373000     0.9961000     142.9456      -73.5  
1 1 1 12 30 14 o 0.7368000      1.451000      165.1534      80.2   
1 1 1 12 30 15 o 7.002000       1.545000      137.7716      -156.9 
1 1 1 12 30 16 o 0.6109000      1.064000      178.3012      -70.7  
1 1 1 12 30 17 o 5.106000       1.345000      302.8218      -74.7  
1 1 1 12 30 18 o -2.042000      1.249000      100.5016      105.3  
1 1 1 12 30 19 o -0.5471000E-01 1.018000      137.6951      51.0   
1 1 1 12 30 20 o 14.93000       1.242000      447.0806      144.1  
1 1 1 12 30 21 o 5.073000       1.018000      169.5879      73.6   
1 1 1 12 30 22 o 1.077000       0.9736000     176.9616      47.6   
1 1 1 12 30 23 o 6.652000       1.014000      448.1737      170.3  
1 1 1 12 30 24 o 2.322000       0.9423000     137.5432      87.2   
1 1 1 12 30 25 o 3.577000       0.9317000     225.6160      121.2  
1 1 1 12 30 26 o 5.111000       1.150000      38.58641      -122.5 
1 1 1 12 30 27 o 3.926000       1.134000      194.8876      -44.3  
1 1 1 12 30 28 o 17.75000       1.266000      404.3428      24.1   
1 1 1 12 30 29 o 0.7933000E-01  0.8991000     119.0335      -95.8  
1 1 1 12 30 30 o 4.461000       0.9053000     279.3908      -71.8  
1 1 1 12 30 31 o 0.4753000      0.8939000     173.4806      -94.5  
1 1 1 12 30 32 o 1.742000       0.9278000     99.14043      -145.2 
1 1 1 12 30 33 o 3.360000       1.011000      162.3421      127.0  
1 1 1 12 30 34 o 2.094000       1.120000      59.77840      131.4  
1 1 1 12 30 35 o 5.338000       1.041000      294.8688      -107.5 
1 1 1 12 30 36 o 0.9542000      1.025000      201.2466      18.5   
1 1 1 12 30 37 o 3.066000       1.019000      220.8329      -141.5 
1 1 1 12 30 38 o 1.356000       1.068000      182.4008      -102.6 
1 1 1 12 30 39 o -1.872000      1.095000      14.74273      69.1   
1 1 1 12 30 40 o -0.6835000     1.115000      120.1160      1.5    
1 1 1 12 30 41 o 2.394000       1.141000      142.6749      -87.9  
1 1 1 12 30 42 o 0.4476000      1.169000      136.5346      -165.0 
1 1 1 12 30 43 o 3.816000       1.284000      228.8942      5.9    
1 1 1 12 30 44 o 12.86000       1.495000      438.3338      38.4   
1 1 1 12 30 45 o 3.870000       1.336000      103.5670      141.9  
1 1 1 12 30 46 o 1.836000       1.237000      154.3854      -18.0  
1 1 1 12 30 47 o 3.049000       1.420000      228.0007      -63.1  
1 1 1 12 30 48 o -2.487000      1.498000      94.05904      136.3  
1 1 1 12 30 49 o 4.579000       1.572000      142.3469      -21.7  
1 1 1 12 30 50 o 1.529000       1.510000      ?             ?      
1 1 1 12 30 51 o -2.241000      1.426000      ?             ?      
1 1 1 12 30 52 o 0.6655000E-01  1.361000      ?             ?      
1 1 1 12 30 53 o 2.923000       1.319000      ?             ?      
1 1 1 12 30 54 o 2.551000       1.328000      ?             ?      
1 1 1 12 30 55 o -0.4228000     1.310000      ?             ?      
1 1 1 12 30 56 o 1.194000       1.200000      ?             ?      
1 1 1 12 30 57 o 2.018000       1.191000      ?             ?      
1 1 1 12 30 58 o -1.600000      1.187000      ?             ?      
1 1 1 12 30 59 o 0.9941000      1.194000      ?             ?      
1 1 1 12 30 60 o 2.253000       1.221000      ?             ?      
1 1 1 12 30 61 o 1.518000       1.394000      ?             ?      
1 1 1 12 30 62 o 0.4277000      1.353000      ?             ?      
1 1 1 12 30 63 o -3.400000      1.770000      ?             ?      
1 1 1 12 30 64 o -0.3150000     2.164000      ?             ?      
1 1 1 12 30 65 o 1.929000       1.562000      ?             ?      
1 1 1 12 30 66 o 2.246000       1.308000      ?             ?      
1 1 1 12 30 67 f 1.291000       1.319000      ?             ?      
1 1 1 12 31 0  o 2.511000       1.082000      8.385549      -0.0   
1 1 1 12 31 1  o 5.854000       0.7973000     276.2467      -38.4  
1 1 1 12 31 2  o 1.923000       0.7715000     186.4604      61.0   
1 1 1 12 31 3  o -0.1692000     0.7587000     55.80220      -169.5 
1 1 1 12 31 4  o 2.713000       0.8302000     182.1036      -151.4 
1 1 1 12 31 5  o 1.823000       0.8988000     123.6088      -19.9  
1 1 1 12 31 6  o 1.670000       0.9112000     24.32735      131.1  
1 1 1 12 31 7  o 0.2558000      0.8739000     58.29585      -130.2 
1 1 1 12 31 8  o 0.8112000      0.9037000     120.7192      83.1   
1 1 1 12 31 9  o -1.035000      1.001000      34.89536      -145.2 
1 1 1 12 31 10 o 1.937000       0.9899000     56.80781      54.1   
1 1 1 12 31 11 o 6.315000       1.005000      237.6839      84.8   
1 1 1 12 31 12 o 0.7962000      0.9552000     80.04297      23.5   
1 1 1 12 31 13 o -1.128000      1.206000      75.65853      -34.6  
1 1 1 12 31 14 o 0.8160000      1.452000      54.99625      74.5   
1 1 1 12 31 15 o 0.9874000E-01  1.145000      150.5311      -140.0 
1 1 1 12 31 16 o -0.2476000     1.641000      71.23132      30.9   
1 1 1 12 31 17 o 12.78000       1.498000      271.4160      42.3   
1 1 1 12 31 18 o 2.324000       1.055000      104.4819      60.4   
1 1 1 12 31 19 o 3.423000       1.034000      176.9933      -81.5  
1 1 1 12 31 20 o -0.3764000     1.018000      219.6888      -143.0 
1 1 1 12 31 21 o -1.054000      0.9746000     75.81165      -157.4 
1 1 1 12 31 22 o -0.4702000     0.9625000     119.2270      -30.3  
1 1 1 12 31 23 f 5.078000       0.9997000     97.82519      -123.6 
1 1 1 12 31 24 o 0.4079000      0.9577000     101.7161      95.6   
1 1 1 12 31 25 o 0.4744000      0.9118000     131.2863      53.5   
1 1 1 12 31 26 o 2.294000       0.9100000     94.12563      -29.3  
1 1 1 12 31 27 o 3.037000       1.148000      108.9324      -147.1 
1 1 1 12 31 28 o 3.446000       1.135000      174.0202      44.2   
1 1 1 12 31 29 o 5.297000       1.102000      257.1626      83.0   
1 1 1 12 31 30 o 4.579000       0.8632000     224.4152      -31.5  
1 1 1 12 31 31 o 0.8316000      0.8519000     50.03674      43.1   
1 1 1 12 31 32 o 2.269000       0.9865000     169.1908      114.7  
1 1 1 12 31 33 o 0.6454000      1.050000      100.8816      114.9  
1 1 1 12 31 34 o 1.187000       1.084000      141.0833      -29.0  
1 1 1 12 31 35 o 1.106000       0.9982000     129.1544      -29.5  
1 1 1 12 31 36 o 9.234000       1.101000      320.2340      -13.8  
1 1 1 12 31 37 o 0.4239000      1.038000      18.22149      -165.8 
1 1 1 12 31 38 o 1.229000       1.109000      36.67556      -42.1  
1 1 1 12 31 39 o 0.5576000      1.138000      33.28575      157.5  
1 1 1 12 31 40 o 6.069000       1.152000      115.8763      -123.6 
1 1 1 12 31 41 o 6.525000       1.229000      134.5545      44.7   
1 1 1 12 31 42 o 4.268000       1.214000      173.8286      38.4   
1 1 1 12 31 43 o -2.151000      1.311000      134.9726      109.4  
1 1 1 12 31 44 o 4.035000       1.418000      60.47622      54.2   
1 1 1 12 31 45 f 1.770000       1.330000      133.0599      -108.8 
1 1 1 12 31 46 o -1.478000      1.231000      71.03360      -153.4 
1 1 1 12 31 47 o 8.208000       1.540000      256.9117      94.3   
1 1 1 12 31 48 o -0.6483000     1.608000      100.1680      -7.3   
1 1 1 12 31 49 o 1.491000       2.059000      ?             ?      
1 1 1 12 31 50 o 3.115000       1.598000      ?             ?      
1 1 1 12 31 51 o 0.1803000      1.337000      ?             ?      
1 1 1 12 31 52 o 0.6810000      1.315000      ?             ?      
1 1 1 12 31 53 o 0.6072000      1.195000      ?             ?      
1 1 1 12 31 54 o 6.392000       1.243000      ?             ?      
1 1 1 12 31 55 o 0.2820000      1.185000      ?             ?      
1 1 1 12 31 56 o 1.428000       1.191000      ?             ?      
1 1 1 12 31 57 o -0.6433000E-02 1.165000      ?             ?      
1 1 1 12 31 58 o -0.5559000     1.189000      ?             ?      
1 1 1 12 31 59 o 1.191000       1.208000      ?             ?      
1 1 1 12 31 60 o 1.300000       1.225000      ?             ?      
1 1 1 12 31 61 o 0.6894000E-01  1.362000      ?             ?      
1 1 1 12 31 62 o 1.098000       1.595000      ?             ?      
1 1 1 12 31 63 o 0.2417000      1.526000      ?             ?      
1 1 1 12 31 64 o -3.694000      1.882000      ?             ?      
1 1 1 12 31 65 o 0.3603000      1.532000      ?             ?      
1 1 1 12 31 66 o -0.4388000     2.147000      ?             ?      
1 1 1 12 32 0  o 3.406000       1.085000      62.55963      180.0  
1 1 1 12 32 1  o -1.136000      0.7493000     95.45028      -92.7  
1 1 1 12 32 2  o 1.529000       0.7604000     123.9982      -129.1 
1 1 1 12 32 3  o 1.814000       0.7499000     51.04286      43.7   
1 1 1 12 32 4  o 0.5579000      0.8104000     91.25625      143.4  
1 1 1 12 32 5  o 0.6987000      0.8035000     91.31168      16.8   
1 1 1 12 32 6  o 0.8381000      0.8921000     136.7195      27.4   
1 1 1 12 32 7  o 0.4169000      0.8522000     75.78119      -142.0 
1 1 1 12 32 8  o 0.9052000      0.8771000     66.91045      -41.9  
1 1 1 12 32 9  o -0.3844000     0.8396000     125.1778      44.2   
1 1 1 12 32 10 o 1.468000       0.9734000     115.1067      148.9  
1 1 1 12 32 11 o 2.908000       1.008000      299.4551      -163.8 
1 1 1 12 32 12 o -0.8175000     0.9528000     72.32293      153.2  
1 1 1 12 32 13 o 1.854000       1.219000      45.78168      63.7   
1 1 1 12 32 14 o 0.9263000      1.416000      122.9428      -83.8  
1 1 1 12 32 15 o 0.3376000      1.117000      141.7107      57.0   
1 1 1 12 32 16 o 1.976000       1.601000      172.1021      -33.9  
1 1 1 12 32 17 o 5.887000       1.659000      272.1526      134.4  
1 1 1 12 32 18 o 3.350000       1.030000      276.3466      147.3  
1 1 1 12 32 19 o 2.847000       1.026000      28.03533      41.1   
1 1 1 12 32 20 o 0.1401000      1.012000      79.65541      -48.8  
1 1 1 12 32 21 o 3.323000       1.035000      110.3509      -62.5  
1 1 1 12 32 22 o 1.874000       0.9651000     45.92193      -149.7 
1 1 1 12 32 23 o 0.3022000      0.9574000     119.8186      35.4   
1 1 1 12 32 24 o 1.821000       0.9733000     68.27931      -89.5  
1 1 1 12 32 25 o 4.292000       0.9757000     73.46114      128.4  
1 1 1 12 32 26 o 1.563000       0.9071000     126.0301      88.9   
1 1 1 12 32 27 o -0.7860000E-01 0.8842000     203.4904      4.4    
1 1 1 12 32 28 o 0.7185000      1.077000      150.8073      -27.4  
1 1 1 12 32 29 o 0.7431000      1.030000      91.45013      -114.3 
1 1 1 12 32 30 o -0.5508000     1.034000      57.28139      47.1   
1 1 1 12 32 31 o 2.622000       0.8632000     116.1572      18.8   
1 1 1 12 32 32 o 1.273000       0.8998000     37.92104      146.1  
1 1 1 12 32 33 o -0.1136000     0.9388000     35.09958      -27.0  
1 1 1 12 32 34 o 1.539000       0.9947000     102.1682      138.6  
1 1 1 12 32 35 o 2.013000       1.050000      26.24640      -117.8 
1 1 1 12 32 36 o 0.9228000      1.045000      136.8433      70.6   
1 1 1 12 32 37 o -0.6061000     1.059000      66.56437      40.7   
1 1 1 12 32 38 o 0.3844000      1.034000      107.2261      -138.6 
1 1 1 12 32 39 f 1.076000       1.124000      87.72849      20.9   
1 1 1 12 32 40 o -2.618000      1.162000      65.87633      39.2   
1 1 1 12 32 41 o 4.933000       1.220000      242.9169      -172.3 
1 1 1 12 32 42 o 0.7691000      1.203000      118.1777      -114.4 
1 1 1 12 32 43 o 2.711000       1.267000      135.5089      58.9   
1 1 1 12 32 44 o 7.216000       1.472000      192.1082      75.7   
1 1 1 12 32 45 o -1.904000      1.778000      145.4615      -141.2 
1 1 1 12 32 46 o 3.856000       1.849000      118.8733      70.4   
1 1 1 12 32 47 o 0.3748000      1.398000      77.13666      -4.5   
1 1 1 12 32 48 o 1.212000       2.152000      ?             ?      
1 1 1 12 32 50 o 0.1359000      2.226000      ?             ?      
1 1 1 12 32 51 o 2.528000       1.208000      ?             ?      
1 1 1 12 32 52 o 0.3458000      1.176000      ?             ?      
1 1 1 12 32 53 o -0.4818000     1.163000      ?             ?      
1 1 1 12 32 54 o 0.1302000      1.188000      ?             ?      
1 1 1 12 32 55 o 0.7890000      1.198000      ?             ?      
1 1 1 12 32 56 o 2.460000       1.173000      ?             ?      
1 1 1 12 32 57 o 0.6613000      1.177000      ?             ?      
1 1 1 12 32 58 o 2.970000       1.203000      ?             ?      
1 1 1 12 32 59 o 1.002000       1.204000      ?             ?      
1 1 1 12 32 60 o -0.2018000     1.194000      ?             ?      
1 1 1 12 32 61 o 1.814000       1.211000      ?             ?      
1 1 1 12 32 62 o -0.5525000E-01 1.530000      ?             ?      
1 1 1 12 32 63 o 0.4770000E-01  1.838000      ?             ?      
1 1 1 12 32 64 o -0.1773000     1.321000      ?             ?      
1 1 1 12 32 65 o 0.3424000      1.432000      ?             ?      
1 1 1 12 32 66 o 1.732000       1.689000      ?             ?      
1 1 1 12 33 0  o -0.5155000     1.048000      36.85216      -180.0 
1 1 1 12 33 1  o 1.903000       0.7392000     52.53151      126.8  
1 1 1 12 33 2  o 1.568000       0.7494000     143.1623      43.3   
1 1 1 12 33 3  o 0.4166000      0.7233000     165.8940      104.7  
1 1 1 12 33 4  o 0.4273000      0.7462000     70.92097      -52.2  
1 1 1 12 33 5  o 0.8743000      0.7822000     127.3339      165.0  
1 1 1 12 33 6  o 2.111000       0.8687000     79.34468      -84.2  
1 1 1 12 33 7  o 0.1122000      0.8338000     40.47299      84.6   
1 1 1 12 33 8  o 1.146000       0.9808000     149.5307      117.9  
1 1 1 12 33 9  o -0.7706000     0.8182000     198.6173      -72.1  
1 1 1 12 33 10 o 0.4435000      0.9514000     168.9940      -128.2 
1 1 1 12 33 11 o 0.3031000      0.9701000     75.87077      -129.9 
1 1 1 12 33 12 o 2.605000       1.218000      118.6699      -75.0  
1 1 1 12 33 13 o -2.555000      1.195000      95.07588      107.5  
1 1 1 12 33 14 o 1.746000       1.096000      85.50061      -78.8  
1 1 1 12 33 15 o 2.149000       1.570000      182.8726      -142.7 
1 1 1 12 33 16 o 4.229000       1.525000      257.0721      -129.0 
1 1 1 12 33 17 o 4.636000       1.136000      238.9296      -42.7  
1 1 1 12 33 18 o -0.4210000     1.064000      90.71445      -143.9 
1 1 1 12 33 19 o 7.287000       1.038000      239.8288      102.1  
1 1 1 12 33 20 o 2.624000       1.002000      148.2745      -162.3 
1 1 1 12 33 21 o -0.5787000     0.9662000     47.10050      167.9  
1 1 1 12 33 22 o 0.1901000      0.9793000     136.4288      -29.1  
1 1 1 12 33 23 o 5.913000       1.049000      266.6613      74.8   
1 1 1 12 33 24 o 2.047000       0.9868000     106.9131      52.2   
1 1 1 12 33 25 o 1.330000       0.9639000     132.9622      77.0   
1 1 1 12 33 26 o -1.532000      0.9396000     61.62843      -39.7  
1 1 1 12 33 27 o 0.8608000      0.8931000     60.74243      -72.5  
1 1 1 12 33 28 o 1.232000       0.9070000     193.4751      154.6  
1 1 1 12 33 29 o 1.594000       1.036000      63.62470      -30.6  
1 1 1 12 33 30 o 0.2122000      1.022000      45.56939      10.0   
1 1 1 12 33 31 o -3.534000      1.082000      47.03320      154.3  
1 1 1 12 33 32 o 1.772000       0.9303000     106.0038      -76.4  
1 1 1 12 33 33 o -1.372000      0.9493000     45.61453      -154.2 
1 1 1 12 33 34 o 0.4283000      0.9296000     105.0445      122.0  
1 1 1 12 33 35 o 1.886000       0.9776000     83.91468      42.3   
1 1 1 12 33 36 o 2.807000       1.023000      121.4932      164.2  
1 1 1 12 33 37 o 5.016000       1.069000      150.7559      -72.4  
1 1 1 12 33 38 o -0.2239000     1.047000      106.1725      41.1   
1 1 1 12 33 39 o 1.284000       1.152000      175.0736      -168.7 
1 1 1 12 33 40 o 1.588000       1.149000      199.8692      -149.7 
1 1 1 12 33 41 o 0.1920000      1.102000      89.28644      52.9   
1 1 1 12 33 42 o 3.793000       1.436000      171.7621      -133.5 
1 1 1 12 33 43 o -0.1627000     1.448000      136.6909      -61.3  
1 1 1 12 33 44 o 0.3426000      1.609000      127.4326      -54.3  
1 1 1 12 33 45 o 2.401000       1.855000      144.0466      -123.7 
1 1 1 12 33 46 o -1.468000      1.308000      77.81306      25.5   
1 1 1 12 33 47 o -0.2286000     1.455000      ?             ?      
1 1 1 12 33 48 o 1.584000       1.562000      ?             ?      
1 1 1 12 33 49 o 3.602000       1.848000      ?             ?      
1 1 1 12 33 50 o 1.170000       1.458000      ?             ?      
1 1 1 12 33 51 o 0.5321000      1.178000      ?             ?      
1 1 1 12 33 52 o -0.4851000     1.149000      ?             ?      
1 1 1 12 33 53 o 2.062000       1.177000      ?             ?      
1 1 1 12 33 54 o 9.196000       1.345000      ?             ?      
1 1 1 12 33 55 o -0.2474000     1.170000      ?             ?      
1 1 1 12 33 56 o 0.7565000      1.167000      ?             ?      
1 1 1 12 33 57 o 1.189000       1.174000      ?             ?      
1 1 1 12 33 58 o -0.1974000     1.218000      ?             ?      
1 1 1 12 33 59 o 1.922000       1.197000      ?             ?      
1 1 1 12 33 60 o 0.8905000      1.196000      ?             ?      
1 1 1 12 33 61 o -0.3635000     1.247000      ?             ?      
1 1 1 12 33 62 o -0.5337000     2.001000      ?             ?      
1 1 1 12 33 63 o -1.394000      1.758000      ?             ?      
1 1 1 12 33 64 o -0.4107000     1.360000      ?             ?      
1 1 1 12 33 65 o 3.522000       1.451000      ?             ?      
1 1 1 12 34 0  o 0.3491000E-01  1.038000      72.32683      -0.0   
1 1 1 12 34 1  o -0.5197000     0.7421000     89.70887      -24.9  
1 1 1 12 34 2  o 1.358000       0.7419000     162.0310      80.0   
1 1 1 12 34 3  o 0.3912000      0.7261000     228.5787      -9.1   
1 1 1 12 34 4  o 3.197000       0.7657000     189.2115      -18.7  
1 1 1 12 34 5  o 1.964000       0.7986000     255.1823      -21.5  
1 1 1 12 34 6  o 7.591000       0.9216000     376.9265      138.5  
1 1 1 12 34 7  o 2.343000       0.8308000     127.9426      -167.3 
1 1 1 12 34 8  o 0.8877000      0.8482000     143.4945      56.4   
1 1 1 12 34 9  o 2.454000       0.8268000     82.84106      -165.2 
1 1 1 12 34 10 o 2.718000       0.9330000     281.7580      26.7   
1 1 1 12 34 11 o 1.641000       0.9871000     151.5455      -147.0 
1 1 1 12 34 12 o 2.836000       1.218000      317.7999      111.2  
1 1 1 12 34 13 o -0.6599000     1.202000      101.3757      -127.1 
1 1 1 12 34 14 o 3.578000       1.115000      165.0971      -19.0  
1 1 1 12 34 15 o -0.6375000E-02 1.522000      126.8112      -157.5 
1 1 1 12 34 16 o 16.83000       1.737000      453.7718      7.6    
1 1 1 12 34 17 o 2.313000       1.061000      110.4632      123.8  
1 1 1 12 34 18 o -0.5500000     1.035000      44.09737      -36.5  
1 1 1 12 34 19 o -2.189000      1.054000      130.0331      -103.5 
1 1 1 12 34 20 o -0.7285000     0.9442000     90.44257      -157.7 
1 1 1 12 34 21 o 0.1373000      0.9657000     145.0281      8.3    
1 1 1 12 34 22 o 13.34000       1.116000      433.6100      -179.2 
1 1 1 12 34 23 o -0.3062000     0.9795000     81.63059      -35.2  
1 1 1 12 34 24 o 4.544000       0.9662000     253.5029      -103.8 
1 1 1 12 34 25 o 1.080000       0.9253000     70.18629      111.3  
1 1 1 12 34 26 o 1.056000       0.9778000     140.3051      61.0   
1 1 1 12 34 27 o 0.6674000      0.9908000     100.2493      -5.8   
1 1 1 12 34 28 o 6.977000       0.9873000     355.5638      103.1  
1 1 1 12 34 29 o -0.4242000     0.9244000     59.80481      166.4  
1 1 1 12 34 30 o -0.1204000     1.068000      39.08672      -74.1  
1 1 1 12 34 31 o 0.6184000      1.029000      148.5596      99.3   
1 1 1 12 34 32 o 1.173000       1.047000      182.4578      17.4   
1 1 1 12 34 33 o 0.7194000      0.8827000     66.04193      -148.6 
1 1 1 12 34 34 o 2.515000       0.8928000     130.2645      137.2  
1 1 1 12 34 35 o 0.8092000      0.8991000     119.8234      50.5   
1 1 1 12 34 36 o 2.519000       0.9975000     76.63621      -42.7  
1 1 1 12 34 37 o 4.526000       1.054000      263.8380      -122.6 
1 1 1 12 34 38 o 3.290000       1.079000      161.0485      -82.2  
1 1 1 12 34 39 o 2.128000       1.083000      149.0259      -119.5 
1 1 1 12 34 40 o 6.163000       1.255000      259.5685      -107.6 
1 1 1 12 34 41 o 0.7191000      1.117000      21.33087      137.3  
1 1 1 12 34 42 o 0.6908000      1.486000      181.1500      38.2   
1 1 1 12 34 43 o 0.2598000      1.502000      169.2556      139.8  
1 1 1 12 34 44 o -1.712000      1.231000      30.77864      74.4   
1 1 1 12 34 45 o -0.8610000     1.402000      165.1140      7.9    
1 1 1 12 34 46 o 5.041000       1.554000      ?             ?      
1 1 1 12 34 47 o 1.188000       1.517000      ?             ?      
1 1 1 12 34 48 o 4.089000       1.386000      ?             ?      
1 1 1 12 34 49 o 0.2891000      1.365000      ?             ?      
1 1 1 12 34 50 o 2.727000       1.469000      ?             ?      
1 1 1 12 34 51 o 0.7801000      1.354000      ?             ?      
1 1 1 12 34 52 o -0.1315000     1.201000      ?             ?      
1 1 1 12 34 53 o 2.132000       1.159000      ?             ?      
1 1 1 12 34 54 o 0.1355000      1.157000      ?             ?      
1 1 1 12 34 55 o 0.9380000      1.143000      ?             ?      
1 1 1 12 34 56 o 2.549000       1.177000      ?             ?      
1 1 1 12 34 57 o -0.5852000     1.175000      ?             ?      
1 1 1 12 34 58 o 0.7610000      1.180000      ?             ?      
1 1 1 12 34 59 o -0.8899000E-01 1.182000      ?             ?      
1 1 1 12 34 60 o -0.8028000     1.195000      ?             ?      
1 1 1 12 34 61 o 4.272000       1.367000      ?             ?      
1 1 1 12 34 62 o -0.7361000     1.490000      ?             ?      
1 1 1 12 34 63 o 1.534000       1.534000      ?             ?      
1 1 1 12 34 64 o 1.895000       1.515000      ?             ?      
1 1 1 12 35 0  o 1.535000       1.045000      82.96714      -180.0 
1 1 1 12 35 1  o 6.256000       0.8475000     323.1301      157.7  
1 1 1 12 35 2  o 1.172000       0.7736000     412.1042      69.3   
1 1 1 12 35 3  o 1.102000       0.7348000     110.9443      -8.2   
1 1 1 12 35 4  o -0.4478000     0.7384000     138.3904      -46.9  
1 1 1 12 35 5  o 2.061000       0.8016000     179.4851      -153.9 
1 1 1 12 35 6  o 0.8101000      0.8620000     247.4205      165.0  
1 1 1 12 35 7  o 4.568000       0.8873000     262.1182      -115.9 
1 1 1 12 35 8  o 0.6368000      0.8386000     116.8591      174.1  
1 1 1 12 35 9  o -0.3039000     0.8072000     92.86201      -94.8  
1 1 1 12 35 10 o 6.213000       0.9603000     144.4055      -70.3  
1 1 1 12 35 11 o 1.816000       1.158000      143.3627      -100.5 
1 1 1 12 35 12 o 3.759000       1.245000      212.7754      -163.4 
1 1 1 12 35 13 o 15.58000       1.225000      492.4861      128.4  
1 1 1 12 35 14 o 8.573000       1.590000      239.8636      -104.3 
1 1 1 12 35 15 o 1.694000       1.504000      204.5805      127.2  
1 1 1 12 35 16 o 10.95000       1.171000      371.6750      30.0   
1 1 1 12 35 17 o 0.6948000E-01  1.067000      111.1489      33.0   
1 1 1 12 35 18 o 2.563000       1.069000      145.6665      154.2  
1 1 1 12 35 19 o 4.055000       1.090000      304.8544      71.2   
1 1 1 12 35 20 o -0.8088000     1.051000      81.28604      58.8   
1 1 1 12 35 21 o 4.401000       0.9816000     316.7519      -112.2 
1 1 1 12 35 22 o 3.562000       0.9815000     268.1551      30.2   
1 1 1 12 35 23 o 2.131000       0.9665000     305.0766      -1.4   
1 1 1 12 35 24 o -0.6533000     0.9368000     48.56643      -151.4 
1 1 1 12 35 25 o 4.339000       0.9332000     211.2848      47.2   
1 1 1 12 35 26 o 3.931000       0.9494000     261.2931      -93.6  
1 1 1 12 35 27 o 4.689000       1.047000      303.0800      -127.8 
1 1 1 12 35 28 o 1.654000       0.9898000     242.8533      170.1  
1 1 1 12 35 29 o 3.524000       0.9192000     405.0678      -57.9  
1 1 1 12 35 30 o -0.4305000     0.9392000     165.3526      56.3   
1 1 1 12 35 31 o 1.425000       1.253000      208.8685      -109.3 
1 1 1 12 35 32 o 1.973000       1.180000      193.4508      135.6  
1 1 1 12 35 33 o 9.181000       1.160000      455.4067      102.5  
1 1 1 12 35 34 o 5.055000       0.9503000     261.1888      46.6   
1 1 1 12 35 35 o 1.998000       0.9070000     98.30392      174.5  
1 1 1 12 35 36 o 0.6462000      0.9294000     80.27607      77.4   
1 1 1 12 35 37 o 14.27000       1.183000      454.2536      -69.0  
1 1 1 12 35 38 o 1.892000       1.186000      290.3916      -110.0 
1 1 1 12 35 39 o -1.185000      1.048000      66.75803      -12.6  
1 1 1 12 35 40 o 10.85000       1.323000      441.3578      -162.8 
1 1 1 12 35 41 o 1.649000       1.236000      257.6769      106.6  
1 1 1 12 35 42 o 6.713000       1.237000      258.8636      -105.3 
1 1 1 12 35 43 o 0.6415000      1.227000      42.33565      -45.1  
1 1 1 12 35 44 o 4.167000       1.269000      201.9989      -110.5 
1 1 1 12 35 45 o 3.795000       1.225000      ?             ?      
1 1 1 12 35 46 o -1.206000      1.463000      ?             ?      
1 1 1 12 35 47 o 3.519000       1.786000      ?             ?      
1 1 1 12 35 48 o 4.680000       1.457000      ?             ?      
1 1 1 12 35 49 o 2.477000       1.186000      ?             ?      
1 1 1 12 35 50 o 4.454000       1.430000      ?             ?      
1 1 1 12 35 51 o 2.504000       1.541000      ?             ?      
1 1 1 12 35 52 f 1.123000       1.391000      ?             ?      
1 1 1 12 35 53 o 4.663000       1.171000      ?             ?      
1 1 1 12 35 54 o 1.493000       1.202000      ?             ?      
1 1 1 12 35 55 o -0.1271000     1.197000      ?             ?      
1 1 1 12 35 56 o 1.689000       1.223000      ?             ?      
1 1 1 12 35 57 o -0.5620000E-01 1.157000      ?             ?      
1 1 1 12 35 58 o 2.693000       1.181000      ?             ?      
1 1 1 12 35 59 o 0.5262000      1.203000      ?             ?      
1 1 1 12 35 60 o -0.2465000     1.256000      ?             ?      
1 1 1 12 35 61 o 3.392000       1.501000      ?             ?      
1 1 1 12 35 62 o 4.272000       1.416000      ?             ?      
1 1 1 12 35 63 o 0.5136000      1.412000      ?             ?      
1 1 1 12 36 0  o 5.599000       1.104000      272.3958      0.0    
1 1 1 12 36 1  o 4.434000       0.7642000     370.1275      -54.3  
1 1 1 12 36 2  o 8.773000       0.8161000     379.8030      -154.7 
1 1 1 12 36 3  o 2.174000       0.7499000     145.0440      109.3  
1 1 1 12 36 4  o 14.04000       0.8454000     437.9919      -33.6  
1 1 1 12 36 5  o 0.5129000      0.7957000     96.60089      -38.9  
1 1 1 12 36 6  o 8.708000       0.8637000     294.2865      36.2   
1 1 1 12 36 7  o 2.435000       0.8645000     67.15142      -1.1   
1 1 1 12 36 8  o 2.544000       0.8619000     266.1519      29.7   
1 1 1 12 36 9  o 13.39000       0.9040000     415.5987      -14.8  
1 1 1 12 36 10 o 3.528000       1.096000      298.8285      -40.8  
1 1 1 12 36 11 o -0.4352000     1.115000      111.0292      91.2   
1 1 1 12 36 12 o 6.448000       1.051000      489.2962      6.3    
1 1 1 12 36 13 o 13.06000       1.065000      437.8251      -95.1  
1 1 1 12 36 14 o 1.898000       1.482000      169.2152      -84.3  
1 1 1 12 36 15 o 0.6712000      1.471000      144.6090      50.8   
1 1 1 12 36 16 o 1.719000       1.062000      122.5501      -28.7  
1 1 1 12 36 17 o 4.636000       1.083000      287.3267      -173.3 
1 1 1 12 36 18 o 1.008000       1.063000      112.9425      108.6  
1 1 1 12 36 19 o 1.761000       1.077000      161.5831      -67.0  
1 1 1 12 36 20 o 6.719000       1.130000      462.4874      -0.1   
1 1 1 12 36 21 o 2.740000       1.097000      355.4333      179.3  
1 1 1 12 36 22 o 2.202000       0.9437000     124.4652      -117.8 
1 1 1 12 36 23 o 2.437000       0.9246000     203.9985      57.9   
1 1 1 12 36 24 o 2.822000       1.140000      47.75258      75.2   
1 1 1 12 36 25 o 3.333000       0.9715000     233.6648      44.0   
1 1 1 12 36 26 o 8.441000       0.9992000     351.3853      39.1   
1 1 1 12 36 27 o 2.888000       0.9465000     263.3330      86.0   
1 1 1 12 36 28 o 1.635000       0.9564000     184.2492      22.7   
1 1 1 12 36 29 o 2.596000       1.076000      210.5805      -5.4   
1 1 1 12 36 30 o -1.027000      1.244000      172.6038      -112.2 
1 1 1 12 36 31 f 10.93000       1.328000      495.6626      -152.1 
1 1 1 12 36 32 o 2.148000       1.191000      213.6642      19.4   
1 1 1 12 36 33 o -0.2931000     1.072000      105.7269      178.7  
1 1 1 12 36 34 o 0.1433000      1.065000      162.8344      -172.3 
1 1 1 12 36 35 o 3.210000       1.039000      236.9230      -94.3  
1 1 1 12 36 36 o 2.772000       1.064000      384.1433      -29.8  
1 1 1 12 36 37 o -0.2031000     1.161000      183.9888      12.2   
1 1 1 12 36 38 o 0.9400000      1.072000      68.71812      -151.7 
1 1 1 12 36 39 o 11.08000       1.241000      446.5624      -99.3  
1 1 1 12 36 40 o 1.890000       1.205000      272.5992      -74.9  
1 1 1 12 36 41 o 12.54000       1.341000      519.9561      -6.8   
1 1 1 12 36 42 o 3.081000       1.132000      234.7363      -115.7 
1 1 1 12 36 43 o 0.9757000      1.100000      170.7501      -107.9 
1 1 1 12 36 44 o 7.876000       1.162000      ?             ?      
1 1 1 12 36 45 o 0.1394000      1.128000      ?             ?      
1 1 1 12 36 46 o 1.799000       1.402000      ?             ?      
1 1 1 12 36 47 o 13.61000       1.874000      ?             ?      
1 1 1 12 36 48 o -1.991000      1.351000      ?             ?      
1 1 1 12 36 49 o 0.6362000      1.168000      ?             ?      
1 1 1 12 36 50 o 2.532000       1.131000      ?             ?      
1 1 1 12 36 51 o 0.1046000      1.284000      ?             ?      
1 1 1 12 36 52 o 0.1279000      1.473000      ?             ?      
1 1 1 12 36 53 o -0.5248000     1.522000      ?             ?      
1 1 1 12 36 54 o 0.6119000      1.163000      ?             ?      
1 1 1 12 36 55 o 1.835000       1.183000      ?             ?      
1 1 1 12 36 56 o 0.1961000      1.142000      ?             ?      
1 1 1 12 36 57 o 6.094000       1.271000      ?             ?      
1 1 1 12 36 58 o -0.3094000     1.234000      ?             ?      
1 1 1 12 36 59 o 0.7462000E-01  1.250000      ?             ?      
1 1 1 12 36 60 f 0.2867000      1.308000      ?             ?      
1 1 1 12 36 61 o -0.8964000     1.455000      ?             ?      
1 1 1 12 36 62 o -0.1050000     1.301000      ?             ?      
1 1 1 12 36 63 o 1.059000       1.275000      ?             ?      
1 1 1 12 37 0  o 6.187000       1.089000      494.8796      -0.0   
1 1 1 12 37 1  o 4.683000       0.7640000     309.2538      -64.3  
1 1 1 12 37 2  o 5.133000       0.8311000     298.3577      62.3   
1 1 1 12 37 3  o 8.525000       0.7985000     360.8385      32.4   
1 1 1 12 37 4  o 6.844000       0.7884000     394.0171      -161.4 
1 1 1 12 37 5  o 1.584000       0.7689000     155.1202      -172.9 
1 1 1 12 37 6  o 16.69000       0.9607000     560.7656      117.5  
1 1 1 12 37 7  o 5.759000       0.8949000     368.5406      27.5   
1 1 1 12 37 8  o -1.121000      0.8794000     98.30789      171.8  
1 1 1 12 37 9  o 14.63000       0.9030000     546.7800      97.9   
1 1 1 12 37 10 o 13.55000       1.214000      537.4402      -79.6  
1 1 1 12 37 11 o 8.752000       1.175000      411.0908      78.4   
1 1 1 12 37 12 o 3.555000       1.005000      310.0535      96.1   
1 1 1 12 37 13 o 7.979000       1.038000      453.3313      165.3  
1 1 1 12 37 14 o 5.222000       1.208000      338.8576      -33.0  
1 1 1 12 37 15 o 9.759000       1.131000      486.5773      68.7   
1 1 1 12 37 16 o 11.93000       1.153000      454.6183      73.7   
1 1 1 12 37 17 o -0.7104000     1.057000      121.3704      -57.9  
1 1 1 12 37 18 o 14.75000       1.203000      568.2886      110.8  
1 1 1 12 37 19 o 26.64000       1.360000      627.6449      61.1   
1 1 1 12 37 20 o 12.41000       1.192000      403.0428      -94.3  
1 1 1 12 37 21 o 1.789000       1.089000      134.6103      61.6   
1 1 1 12 37 22 o 7.849000       1.167000      399.1029      -93.3  
1 1 1 12 37 23 o 0.6061000      0.9537000     139.4370      -155.9 
1 1 1 12 37 24 o 34.83000       1.590000      843.8922      106.0  
1 1 1 12 37 25 o 0.7350000      0.9937000     139.8399      -172.4 
1 1 1 12 37 26 o 1.144000       0.9834000     249.5207      -109.1 
1 1 1 12 37 27 o 3.002000       0.9755000     303.2431      46.3   
1 1 1 12 37 28 o 4.376000       0.9837000     213.2947      65.8   
1 1 1 12 37 29 o 13.82000       1.262000      545.8270      -9.9   
1 1 1 12 37 30 o -0.1128000     1.048000      46.66173      -47.5  
1 1 1 12 37 31 o 2.285000       1.313000      311.3568      -111.6 
1 1 1 12 37 32 o 14.82000       1.263000      608.5682      68.6   
1 1 1 12 37 33 o 10.84000       1.596000      447.0807      50.3   
1 1 1 12 37 34 o 7.098000       1.164000      459.4413      40.8   
1 1 1 12 37 35 o 1.644000       1.242000      125.3492      98.7   
1 1 1 12 37 36 o 5.223000       1.066000      337.4523      -61.5  
1 1 1 12 37 37 o 0.1557000      1.019000      132.2771      -10.9  
1 1 1 12 37 38 o 4.139000       1.127000      287.1101      13.3   
1 1 1 12 37 39 o 3.042000       1.138000      264.4590      -22.4  
1 1 1 12 37 40 o 15.95000       1.336000      399.3440      100.9  
1 1 1 12 37 41 o 1.516000       1.078000      259.1881      33.2   
1 1 1 12 37 42 o 0.5818000      1.079000      91.13156      30.2   
1 1 1 12 37 43 o 5.658000       1.120000      ?             ?      
1 1 1 12 37 44 o 1.406000       1.120000      ?             ?      
1 1 1 12 37 45 o -0.6045000     1.138000      ?             ?      
1 1 1 12 37 46 o 7.155000       1.310000      ?             ?      
1 1 1 12 37 47 o -0.2481000     1.331000      ?             ?      
1 1 1 12 37 48 o -0.1816000     1.287000      ?             ?      
1 1 1 12 37 49 o 1.516000       1.187000      ?             ?      
1 1 1 12 37 50 o 5.341000       1.188000      ?             ?      
1 1 1 12 37 51 o 2.458000       1.423000      ?             ?      
1 1 1 12 37 52 o 2.864000       1.452000      ?             ?      
1 1 1 12 37 53 o -1.541000      1.554000      ?             ?      
1 1 1 12 37 54 o 2.795000       1.150000      ?             ?      
1 1 1 12 37 55 o -0.5891000     1.156000      ?             ?      
1 1 1 12 37 56 o -0.1039000     1.183000      ?             ?      
1 1 1 12 37 57 o 2.924000       1.721000      ?             ?      
1 1 1 12 37 58 o 3.882000       1.223000      ?             ?      
1 1 1 12 37 59 o 0.9771000      1.304000      ?             ?      
1 1 1 12 37 60 o 2.131000       1.458000      ?             ?      
1 1 1 12 37 61 o 3.526000       1.501000      ?             ?      
1 1 1 12 37 62 o -2.369000      1.313000      ?             ?      
1 1 1 12 38 0  o 1.925000       1.039000      304.3728      0.0    
1 1 1 12 38 1  o 6.432000       0.7856000     342.9438      145.1  
1 1 1 12 38 2  o 4.822000       0.7909000     204.5382      101.8  
1 1 1 12 38 3  o 1.115000       0.7699000     371.9064      101.4  
1 1 1 12 38 4  o 21.63000       0.9511000     657.4294      171.0  
1 1 1 12 38 5  o 9.202000       0.8329000     481.7849      -92.4  
1 1 1 12 38 6  o 1.115000       0.8378000     181.1544      3.0    
1 1 1 12 38 7  o 4.501000       0.8985000     387.7157      -126.9 
1 1 1 12 38 8  o 0.6576000      0.8292000     144.1568      59.5   
1 1 1 12 38 9  o -0.3732000     0.8721000     117.5310      60.3   
1 1 1 12 38 10 o 6.496000       1.212000      437.8905      -89.2  
1 1 1 12 38 11 o 2.224000       0.9932000     331.6216      50.4   
1 1 1 12 38 12 o 20.68000       1.301000      635.5840      -94.7  
1 1 1 12 38 13 o 2.660000       1.261000      158.2892      -46.5  
1 1 1 12 38 14 o 8.319000       1.192000      429.2303      -163.1 
1 1 1 12 38 15 o 1.933000       1.066000      195.9722      145.3  
1 1 1 12 38 16 o 1.070000       1.067000      261.4447      -45.3  
1 1 1 12 38 17 o 13.51000       1.186000      606.8687      -128.9 
1 1 1 12 38 18 o 0.9655000      1.084000      209.6432      -156.5 
1 1 1 12 38 19 o 4.959000       1.117000      348.3040      -15.8  
1 1 1 12 38 20 o 21.26000       1.336000      575.2230      -24.1  
1 1 1 12 38 21 o 3.402000       1.133000      350.8631      -39.9  
1 1 1 12 38 22 o 9.506000       1.214000      319.6934      -171.9 
1 1 1 12 38 23 o 21.51000       1.398000      676.6561      -81.2  
1 1 1 12 38 24 o 4.069000       1.014000      313.7081      -121.3 
1 1 1 12 38 25 o 5.982000       1.033000      360.3803      94.9   
1 1 1 12 38 26 o 3.683000       1.015000      317.2743      29.4   
1 1 1 12 38 27 o 3.353000       1.019000      255.0523      177.0  
1 1 1 12 38 28 o 4.308000       1.165000      243.1108      95.8   
1 1 1 12 38 29 o 2.248000       1.168000      180.9966      -61.8  
1 1 1 12 38 30 o 14.08000       1.382000      517.3244      -118.2 
1 1 1 12 38 31 o 3.309000       1.227000      178.7717      117.0  
1 1 1 12 38 32 o 4.847000       1.347000      479.6542      105.2  
1 1 1 12 38 33 o 9.902000       1.208000      443.8063      171.8  
1 1 1 12 38 34 o 3.329000       1.331000      217.5605      -76.2  
1 1 1 12 38 35 o 2.209000       1.251000      311.5492      81.3   
1 1 1 12 38 36 o 10.29000       1.673000      376.1157      49.9   
1 1 1 12 38 37 o -1.388000      1.076000      139.7782      173.8  
1 1 1 12 38 38 o 4.715000       0.9998000     361.9914      -103.3 
1 1 1 12 38 39 o 0.5412000      0.9762000     86.75818      67.7   
1 1 1 12 38 40 o 0.6275000      0.9776000     76.71078      -35.4  
1 1 1 12 38 41 o 0.8749000      1.043000      99.89680      63.6   
1 1 1 12 38 42 o -0.7543000     1.067000      ?             ?      
1 1 1 12 38 43 o -1.008000      1.087000      ?             ?      
1 1 1 12 38 44 o 5.709000       1.136000      ?             ?      
1 1 1 12 38 45 o 2.521000       1.166000      ?             ?      
1 1 1 12 38 46 o -0.8128000E-01 1.240000      ?             ?      
1 1 1 12 38 47 o 2.209000       1.114000      ?             ?      
1 1 1 12 38 48 o 1.843000       1.275000      ?             ?      
1 1 1 12 38 49 o 1.688000       1.286000      ?             ?      
1 1 1 12 38 50 f 1.376000       1.180000      ?             ?      
1 1 1 12 38 51 o 4.053000       1.101000      ?             ?      
1 1 1 12 38 52 o 1.432000       1.257000      ?             ?      
1 1 1 12 38 53 o 0.5319000E-02  1.391000      ?             ?      
1 1 1 12 38 54 o -0.1819000     1.267000      ?             ?      
1 1 1 12 38 55 o 1.431000       1.204000      ?             ?      
1 1 1 12 38 56 o -1.193000      1.221000      ?             ?      
1 1 1 12 38 57 o -0.1755000     1.149000      ?             ?      
1 1 1 12 38 58 o 0.6414000      1.217000      ?             ?      
1 1 1 12 38 59 o 2.466000       1.303000      ?             ?      
1 1 1 12 38 60 o 2.140000       1.402000      ?             ?      
1 1 1 12 38 61 o 3.392000       1.300000      ?             ?      
1 1 1 12 39 0  o 0.9509000      1.069000      95.23375      180.0  
1 1 1 12 39 1  o 33.92000       1.123000      737.7696      -125.3 
1 1 1 12 39 2  o -1.104000      0.7699000     163.1729      158.5  
1 1 1 12 39 3  o 15.10000       0.8721000     543.0120      -55.5  
1 1 1 12 39 4  o 7.665000       0.8119000     441.3462      -115.5 
1 1 1 12 39 5  o 0.6177000      0.7801000     37.05092      89.6   
1 1 1 12 39 6  o 5.008000       0.8587000     371.3764      62.5   
1 1 1 12 39 7  o 1.832000       0.9008000     148.5237      -136.3 
1 1 1 12 39 8  o 3.142000       0.8543000     220.3050      173.9  
1 1 1 12 39 9  o 1.173000       1.102000      160.2289      51.2   
1 1 1 12 39 10 o 40.42000       2.090000      830.0619      -105.3 
1 1 1 12 39 11 o 38.95000       1.642000      603.5906      72.7   
1 1 1 12 39 12 o 19.46000       1.153000      520.1633      -159.3 
1 1 1 12 39 13 o 3.320000       1.101000      284.8523      -62.8  
1 1 1 12 39 14 o 6.003000       0.9297000     219.0176      120.4  
1 1 1 12 39 15 o 2.823000       1.063000      309.0712      37.7   
1 1 1 12 39 16 o 4.106000       1.103000      454.4244      -55.7  
1 1 1 12 39 17 o 2.148000       1.109000      76.33862      -176.1 
1 1 1 12 39 18 o 25.47000       1.382000      813.0652      84.9   
1 1 1 12 39 19 o 16.05000       1.284000      517.4700      -59.6  
1 1 1 12 39 20 o 1.813000       1.141000      201.4766      -8.1   
1 1 1 12 39 21 o -0.7579000     1.127000      90.45610      -40.5  
1 1 1 12 39 22 o 9.730000       1.245000      412.4253      15.2   
1 1 1 12 39 23 o 3.298000       1.217000      265.1532      174.8  
1 1 1 12 39 24 o 0.5317000      1.210000      268.8687      39.4   
1 1 1 12 39 25 o 0.4067000      1.016000      57.57930      94.3   
1 1 1 12 39 26 o 4.180000       1.067000      299.5888      17.1   
1 1 1 12 39 27 o 13.85000       1.165000      647.0293      39.9   
1 1 1 12 39 28 o 3.852000       1.237000      271.5298      -56.7  
1 1 1 12 39 29 o -0.6979000     1.079000      113.1575      -75.1  
1 1 1 12 39 30 o 6.215000       1.378000      262.7483      115.7  
1 1 1 12 39 31 o 18.79000       1.665000      562.8923      -16.5  
1 1 1 12 39 32 o -0.4508000E-01 1.175000      121.3688      -175.0 
1 1 1 12 39 33 o 0.1519000      1.316000      96.02396      137.8  
1 1 1 12 39 34 o 8.928000       1.677000      279.0706      -69.9  
1 1 1 12 39 35 o 4.585000       1.640000      70.76510      -55.3  
1 1 1 12 39 36 o -0.5790000     1.358000      55.68502      99.2   
1 1 1 12 39 37 o 8.007000       1.255000      504.9533      7.6    
1 1 1 12 39 38 o 17.84000       1.269000      575.5892      -95.4  
1 1 1 12 39 39 o -0.1676000     0.9704000     63.92437      117.4  
1 1 1 12 39 40 o 9.427000       1.022000      ?             ?      
1 1 1 12 39 41 o 2.203000       0.9838000     ?             ?      
1 1 1 12 39 42 o 1.099000       0.9871000     ?             ?      
1 1 1 12 39 43 o 13.69000       1.156000      ?             ?      
1 1 1 12 39 44 o 2.643000       1.103000      ?             ?      
1 1 1 12 39 45 o 9.713000       1.271000      ?             ?      
1 1 1 12 39 46 o 1.970000       1.086000      ?             ?      
1 1 1 12 39 47 o 0.3917000      1.043000      ?             ?      
1 1 1 12 39 48 o 1.686000       1.183000      ?             ?      
1 1 1 12 39 49 o 2.489000       1.307000      ?             ?      
1 1 1 12 39 50 o 1.226000       1.172000      ?             ?      
1 1 1 12 39 52 o 2.804000       1.101000      ?             ?      
1 1 1 12 39 53 o 0.4465000      1.242000      ?             ?      
1 1 1 12 39 54 o 1.664000       1.407000      ?             ?      
1 1 1 12 39 55 o -0.3097000E-01 1.278000      ?             ?      
1 1 1 12 39 56 o 1.339000       1.223000      ?             ?      
1 1 1 12 39 57 o 3.493000       1.180000      ?             ?      
1 1 1 12 39 58 o 0.7616000      1.294000      ?             ?      
1 1 1 12 39 59 o 1.411000       1.423000      ?             ?      
1 1 1 12 39 60 o 0.5475000      1.347000      ?             ?      
1 1 1 12 40 0  o 12.73000       1.200000      419.8198      0.0    
1 1 1 12 40 1  o 4.797000       0.7971000     249.1792      -133.8 
1 1 1 12 40 2  o 13.31000       0.8698000     463.9104      34.6   
1 1 1 12 40 3  o 23.57000       1.005000      603.7088      135.6  
1 1 1 12 40 4  o 1.094000       0.7698000     67.97552      -83.5  
1 1 1 12 40 5  o 4.778000       0.8095000     453.8825      -87.6  
1 1 1 12 40 6  f 2.805000       0.8510000     229.4322      -89.9  
1 1 1 12 40 7  o 4.750000       0.9341000     354.7971      170.3  
1 1 1 12 40 8  o 3.186000       0.9359000     407.2858      144.1  
1 1 1 12 40 9  o 22.29000       1.350000      798.2267      -98.5  
1 1 1 12 40 10 o 11.19000       1.374000      563.2652      -137.2 
1 1 1 12 40 11 o 2.799000       1.224000      263.4297      -39.7  
1 1 1 12 40 12 o -0.6685000     1.097000      79.75519      132.0  
1 1 1 12 40 13 o 0.1115000      1.061000      22.76878      -1.9   
1 1 1 12 40 14 o 3.508000       0.9110000     275.3473      -43.5  
1 1 1 12 40 15 o 3.605000       1.096000      335.2447      -34.3  
1 1 1 12 40 16 o 17.62000       1.262000      606.0772      -98.5  
1 1 1 12 40 17 o 0.7786000      1.099000      222.6994      -158.2 
1 1 1 12 40 18 o -0.6165000     1.120000      131.8667      -55.4  
1 1 1 12 40 19 o 4.234000       1.157000      304.4129      -8.9   
1 1 1 12 40 20 o 35.35000       1.595000      1000.087      -3.4   
1 1 1 12 40 21 o 9.782000       1.250000      485.0817      118.0  
1 1 1 12 40 22 o 2.110000       1.202000      106.6115      15.6   
1 1 1 12 40 23 o 0.6840000      1.207000      107.4329      -2.6   
1 1 1 12 40 24 o 6.300000       1.275000      238.6500      -147.7 
1 1 1 12 40 25 o 4.718000       1.289000      347.8675      -177.5 
1 1 1 12 40 26 o 9.151000       1.307000      436.3212      115.3  
1 1 1 12 40 27 o 0.9251000      1.266000      264.7215      62.3   
1 1 1 12 40 28 o 11.22000       1.463000      569.0212      -147.5 
1 1 1 12 40 29 o -0.2784000     1.577000      81.43964      -5.6   
1 1 1 12 40 30 o 2.874000       1.309000      278.6610      69.7   
1 1 1 12 40 31 o 3.080000       1.492000      326.0917      22.1   
1 1 1 12 40 32 o 11.41000       1.564000      529.0372      105.3  
1 1 1 12 40 33 o 2.276000       1.136000      212.4583      16.3   
1 1 1 12 40 34 o 1.723000       1.130000      243.6751      -64.6  
1 1 1 12 40 35 o 3.444000       1.003000      216.3665      96.4   
1 1 1 12 40 36 o -0.3846000     1.020000      150.2056      -127.2 
1 1 1 12 40 37 o 25.73000       2.070000      696.2660      -54.4  
1 1 1 12 40 38 o -2.817000      1.189000      211.3639      -37.5  
1 1 1 12 40 39 o 5.825000       1.033000      ?             ?      
1 1 1 12 40 40 o 5.847000       1.049000      ?             ?      
1 1 1 12 40 41 f 2.185000       0.9664000     ?             ?      
1 1 1 12 40 42 o 1.561000       0.9726000     ?             ?      
1 1 1 12 40 43 o 10.07000       1.070000      ?             ?      
1 1 1 12 40 44 o 11.90000       1.300000      ?             ?      
1 1 1 12 40 45 o 1.455000       1.182000      ?             ?      
1 1 1 12 40 46 o -0.6518000     1.037000      ?             ?      
1 1 1 12 40 47 o 0.4091000      1.017000      ?             ?      
1 1 1 12 40 48 o 6.083000       1.077000      ?             ?      
1 1 1 12 40 49 o 1.118000       1.186000      ?             ?      
1 1 1 12 40 50 o 8.209000       1.360000      ?             ?      
1 1 1 12 40 51 o 2.692000       1.200000      ?             ?      
1 1 1 12 40 52 o 1.597000       1.075000      ?             ?      
1 1 1 12 40 53 o -0.1034000     1.081000      ?             ?      
1 1 1 12 40 54 o 1.995000       1.261000      ?             ?      
1 1 1 12 40 55 o 0.3361000      1.407000      ?             ?      
1 1 1 12 40 56 o 2.283000       1.293000      ?             ?      
1 1 1 12 40 57 o 4.136000       1.184000      ?             ?      
1 1 1 12 40 58 o 1.989000       1.281000      ?             ?      
1 1 1 12 40 59 o 0.9065000      1.310000      ?             ?      
1 1 1 12 41 0  o -0.9142000     1.087000      124.3616      0.0    
1 1 1 12 41 1  o 9.563000       0.8347000     392.8027      -132.7 
1 1 1 12 41 2  o 1.183000       0.7773000     160.7870      87.0   
1 1 1 12 41 3  o 2.403000       0.8418000     336.6881      -109.1 
1 1 1 12 41 4  o 23.49000       1.012000      695.0825      -74.8  
1 1 1 12 41 5  o 11.18000       0.8693000     430.8830      -20.9  
1 1 1 12 41 6  o 17.90000       1.004000      694.1948      -167.2 
1 1 1 12 41 7  o 10.55000       0.9443000     546.1053      -50.6  
1 1 1 12 41 8  o 15.04000       1.120000      501.6206      -88.9  
1 1 1 12 41 9  o 3.641000       1.089000      437.1355      -42.3  
1 1 1 12 41 10 o 4.900000       0.9061000     391.0896      -175.6 
1 1 1 12 41 11 o 0.2024000      1.013000      199.5835      -8.1   
1 1 1 12 41 12 o 7.111000       1.161000      265.6433      179.3  
1 1 1 12 41 13 o 1.877000       1.087000      198.8329      87.4   
1 1 1 12 41 14 o 3.824000       0.9233000     248.0023      82.4   
1 1 1 12 41 15 f 0.8387000      1.113000      61.61596      -105.0 
1 1 1 12 41 16 o 0.1683000      1.114000      227.5050      96.3   
1 1 1 12 41 17 o 2.011000       1.128000      88.64953      66.6   
1 1 1 12 41 18 o 21.29000       1.359000      743.9391      68.8   
1 1 1 12 41 19 o 12.93000       1.299000      583.0824      -108.9 
1 1 1 12 41 20 o 4.269000       1.213000      262.1105      165.5  
1 1 1 12 41 21 o 15.27000       1.341000      510.5632      125.8  
1 1 1 12 41 22 o 8.864000       1.285000      374.3355      119.7  
1 1 1 12 41 23 o 1.825000       1.245000      170.0753      -170.2 
1 1 1 12 41 24 o 7.440000       1.328000      523.1601      -10.2  
1 1 1 12 41 25 o 1.297000       1.383000      87.90835      69.2   
1 1 1 12 41 26 o 9.165000       1.637000      401.2683      -56.2  
1 1 1 12 41 27 o -0.4327000     1.341000      194.7741      79.4   
1 1 1 12 41 28 o 20.07000       1.771000      699.3751      -136.6 
1 1 1 12 41 29 o 4.697000       2.082000      258.4181      -11.3  
1 1 1 12 41 30 o 35.22000       1.556000      784.1238      89.9   
1 1 1 12 41 31 o 0.9194000      1.129000      206.2919      -7.0   
1 1 1 12 41 32 o 17.63000       1.724000      629.1381      133.7  
1 1 1 12 41 33 o 6.743000       1.185000      450.4691      -128.0 
1 1 1 12 41 34 o 0.7373000E-01  1.134000      65.75989      156.4  
1 1 1 12 41 35 o 12.78000       1.337000      550.9019      58.4   
1 1 1 12 41 36 o 4.324000       1.269000      88.32992      35.7   
1 1 1 12 41 37 o 4.933000       1.012000      331.4785      -78.2  
1 1 1 12 41 38 o 21.84000       2.038000      ?             ?      
1 1 1 12 41 39 o 1.996000       1.198000      ?             ?      
1 1 1 12 41 40 o 0.1498000      0.9754000     ?             ?      
1 1 1 12 41 41 o 2.599000       0.9212000     ?             ?      
1 1 1 12 41 42 o 3.626000       0.9579000     ?             ?      
1 1 1 12 41 43 o 2.198000       0.9854000     ?             ?      
1 1 1 12 41 44 o 1.919000       1.036000      ?             ?      
1 1 1 12 41 45 o 6.253000       1.063000      ?             ?      
1 1 1 12 41 46 o -1.371000      1.006000      ?             ?      
1 1 1 12 41 47 o 0.4739000      1.014000      ?             ?      
1 1 1 12 41 48 o 4.950000       1.051000      ?             ?      
1 1 1 12 41 49 o 1.073000       1.035000      ?             ?      
1 1 1 12 41 50 o -0.9765000     1.382000      ?             ?      
1 1 1 12 41 51 o 0.6619000      1.288000      ?             ?      
1 1 1 12 41 52 o 1.189000       1.170000      ?             ?      
1 1 1 12 41 53 o 1.244000       1.085000      ?             ?      
1 1 1 12 41 54 o 1.203000       1.102000      ?             ?      
1 1 1 12 41 55 o 0.9994000      1.264000      ?             ?      
1 1 1 12 41 56 o 1.813000       1.435000      ?             ?      
1 1 1 12 41 57 o -1.234000      1.691000      ?             ?      
1 1 1 12 41 58 o 1.254000       1.356000      ?             ?      
1 1 1 12 41 59 o -0.5333000E-01 1.471000      ?             ?      
1 1 1 12 42 0  o 0.6373000      1.095000      266.1596      -0.0   
1 1 1 12 42 1  o 3.199000       0.7961000     117.3168      94.2   
1 1 1 12 42 2  o 2.228000       0.7975000     113.1469      84.4   
1 1 1 12 42 3  o 7.653000       0.8536000     458.5472      18.6   
1 1 1 12 42 4  o 34.19000       1.176000      884.9044      -15.8  
1 1 1 12 42 5  o 2.563000       0.8255000     290.0372      153.0  
1 1 1 12 42 6  o 7.897000       0.9148000     495.8749      126.0  
1 1 1 12 42 7  o 1.870000       0.9152000     226.3889      -86.6  
1 1 1 12 42 8  o 8.848000       1.130000      343.6015      7.9    
1 1 1 12 42 9  o 45.00000       1.587000      1052.795      -109.1 
1 1 1 12 42 10 o 28.36000       1.413000      751.3556      104.2  
1 1 1 12 42 11 o 2.576000       1.027000      256.0213      -30.6  
1 1 1 12 42 12 o 3.946000       1.166000      248.1681      47.4   
1 1 1 12 42 13 o 13.76000       1.047000      586.7759      -72.1  
1 1 1 12 42 14 o 4.463000       0.9453000     424.9611      -106.4 
1 1 1 12 42 15 o 4.318000       1.178000      241.8155      145.8  
1 1 1 12 42 16 o 7.506000       1.211000      368.3190      -117.7 
1 1 1 12 42 17 o 12.78000       1.275000      559.4578      160.2  
1 1 1 12 42 18 o 20.84000       1.407000      691.4447      -16.0  
1 1 1 12 42 19 f 1.815000       1.232000      281.5091      -127.6 
1 1 1 12 42 20 o 4.050000       1.242000      335.6599      -94.6  
1 1 1 12 42 21 o 26.77000       1.553000      791.7690      150.9  
1 1 1 12 42 22 o -0.1316000     1.266000      13.05372      76.9   
1 1 1 12 42 23 o 5.781000       1.684000      288.1801      -130.3 
1 1 1 12 42 24 o 1.708000       1.347000      167.1439      -72.9  
1 1 1 12 42 25 o 9.900000       1.460000      358.2045      104.4  
1 1 1 12 42 26 o 6.465000       1.870000      230.6353      80.6   
1 1 1 12 42 27 o 1.962000       1.845000      220.5378      -6.7   
1 1 1 12 42 28 o 11.22000       1.585000      394.7903      -168.2 
1 1 1 12 42 29 o 4.871000       1.362000      191.9149      137.8  
1 1 1 12 42 30 o 2.530000       1.175000      246.1977      126.0  
1 1 1 12 42 31 o 3.799000       1.174000      343.6874      -119.7 
1 1 1 12 42 32 o 4.177000       1.182000      327.0212      86.8   
1 1 1 12 42 33 o 7.948000       1.189000      426.3397      -134.5 
1 1 1 12 42 34 o 2.822000       1.131000      325.6220      -49.1  
1 1 1 12 42 35 o 6.880000       1.253000      604.6572      -87.5  
1 1 1 12 42 36 o 4.426000       1.146000      ?             ?      
1 1 1 12 42 37 o 0.9975000      1.239000      ?             ?      
1 1 1 12 42 38 o 3.164000       0.9794000     ?             ?      
1 1 1 12 42 39 o 2.897000       1.248000      ?             ?      
1 1 1 12 42 40 o 3.157000       1.171000      ?             ?      
1 1 1 12 42 41 o 0.2546000E-01  0.9643000     ?             ?      
1 1 1 12 42 42 o 3.890000       0.9276000     ?             ?      
1 1 1 12 42 43 o 2.735000       1.021000      ?             ?      
1 1 1 12 42 44 o 1.826000       1.025000      ?             ?      
1 1 1 12 42 45 o 0.4685000      0.9556000     ?             ?      
1 1 1 12 42 46 o 12.08000       1.095000      ?             ?      
1 1 1 12 42 47 o 4.078000       1.020000      ?             ?      
1 1 1 12 42 48 o 0.1388000      1.005000      ?             ?      
1 1 1 12 42 49 o -0.5552000     1.001000      ?             ?      
1 1 1 12 42 50 o 1.799000       1.163000      ?             ?      
1 1 1 12 42 51 o 1.774000       1.274000      ?             ?      
1 1 1 12 42 52 o 1.295000       1.299000      ?             ?      
1 1 1 12 42 53 o 3.387000       1.212000      ?             ?      
1 1 1 12 42 54 o 0.1681000      1.102000      ?             ?      
1 1 1 12 42 55 o 0.8426000      1.279000      ?             ?      
1 1 1 12 42 56 o 1.424000       1.314000      ?             ?      
1 1 1 12 42 57 o -1.465000      1.660000      ?             ?      
1 1 1 12 42 58 o 1.692000       1.471000      ?             ?      
1 1 1 12 43 0  o 6.759000       1.202000      341.2700      180.0  
1 1 1 12 43 1  o -1.285000      0.8139000     50.31596      1.5    
1 1 1 12 43 2  o 5.863000       0.8511000     391.6972      173.9  
1 1 1 12 43 3  o 17.89000       0.9989000     651.1100      -38.6  
1 1 1 12 43 4  o -0.6150000     0.8152000     257.9210      -109.2 
1 1 1 12 43 5  o 1.166000       0.8095000     160.8710      83.0   
1 1 1 12 43 6  o 12.65000       1.012000      468.2192      -96.0  
1 1 1 12 43 7  o 6.845000       0.9205000     401.2848      -28.9  
1 1 1 12 43 8  o 3.146000       1.081000      327.5397      -156.0 
1 1 1 12 43 9  o 9.677000       0.9809000     422.3462      -174.5 
1 1 1 12 43 10 o 0.8882000      0.8087000     128.1510      47.1   
1 1 1 12 43 11 o 4.057000       1.131000      333.1616      166.0  
1 1 1 12 43 12 o 18.77000       1.147000      698.4180      65.4   
1 1 1 12 43 13 o 1.920000       0.9509000     287.8372      -58.5  
1 1 1 12 43 14 o 11.42000       1.295000      344.1614      90.5   
1 1 1 12 43 15 o 2.278000       1.173000      249.3873      -96.5  
1 1 1 12 43 16 o 15.95000       1.337000      448.9867      75.9   
1 1 1 12 43 17 o 22.05000       1.448000      624.3737      55.1   
1 1 1 12 43 18 o 3.244000       1.265000      194.2956      -42.8  
1 1 1 12 43 19 o 19.42000       1.470000      708.0919      -91.2  
1 1 1 12 43 20 o 3.988000       1.626000      336.1905      -152.6 
1 1 1 12 43 21 o -2.822000      1.612000      125.2754      157.3  
1 1 1 12 43 22 o 0.3531000      1.267000      69.19105      -112.1 
1 1 1 12 43 23 o 4.811000       1.338000      274.4255      73.8   
1 1 1 12 43 24 o 3.519000       1.375000      315.1086      -41.4  
1 1 1 12 43 25 o 3.821000       1.906000      303.1614      140.8  
1 1 1 12 43 26 o 8.607000       1.973000      419.1218      -153.3 
1 1 1 12 43 27 o 8.611000       1.514000      438.9046      40.2   
1 1 1 12 43 28 o 10.14000       2.178000      526.5175      -115.6 
1 1 1 12 43 29 o 12.71000       2.204000      560.7736      -26.4  
1 1 1 12 43 30 o 8.251000       1.553000      366.4983      87.4   
1 1 1 12 43 31 o 0.9890000      1.156000      275.1119      -174.3 
1 1 1 12 43 32 o -0.8226000     1.145000      208.2226      84.7   
1 1 1 12 43 33 o -0.7820000     1.134000      127.8714      120.8  
1 1 1 12 43 34 o 40.59000       2.151000      ?             ?      
1 1 1 12 43 35 o -1.381000      1.103000      ?             ?      
1 1 1 12 43 36 o 1.919000       1.115000      ?             ?      
1 1 1 12 43 37 o 0.4593000      1.115000      ?             ?      
1 1 1 12 43 38 o 1.269000       1.116000      ?             ?      
1 1 1 12 43 39 o 3.335000       1.235000      ?             ?      
1 1 1 12 43 40 o -1.293000      1.211000      ?             ?      
1 1 1 12 43 41 o 3.988000       1.348000      ?             ?      
1 1 1 12 43 42 o 0.3191000      1.211000      ?             ?      
1 1 1 12 43 43 o 5.678000       0.9895000     ?             ?      
1 1 1 12 43 44 o -0.9413000E-01 0.9046000     ?             ?      
1 1 1 12 43 45 o 1.318000       0.9473000     ?             ?      
1 1 1 12 43 46 o 0.2048000      0.9152000     ?             ?      
1 1 1 12 43 47 o -0.7310000     0.9151000     ?             ?      
1 1 1 12 43 48 o 1.353000       0.9400000     ?             ?      
1 1 1 12 43 49 o 1.260000       1.023000      ?             ?      
1 1 1 12 43 50 o 1.911000       1.035000      ?             ?      
1 1 1 12 43 51 o 1.298000       1.176000      ?             ?      
1 1 1 12 43 52 o -1.404000      1.291000      ?             ?      
1 1 1 12 43 53 o 4.176000       1.232000      ?             ?      
1 1 1 12 43 54 o 2.337000       1.105000      ?             ?      
1 1 1 12 43 55 o 0.4504000E-01  1.096000      ?             ?      
1 1 1 12 43 56 o 0.2903000      1.445000      ?             ?      
1 1 1 12 43 57 o -1.374000      1.943000      ?             ?      
1 1 1 12 44 0  o 13.98000       1.334000      502.4035      -0.0   
1 1 1 12 44 1  o -0.8633000     0.8508000     115.4612      117.8  
1 1 1 12 44 2  o 1.011000       0.8514000     40.25766      77.3   
1 1 1 12 44 3  o 16.69000       0.9908000     625.7242      2.5    
1 1 1 12 44 4  o 13.63000       0.9406000     423.0457      37.6   
1 1 1 12 44 5  o -0.4284000     0.8202000     158.4994      173.2  
1 1 1 12 44 6  o 3.261000       0.8669000     450.3590      -143.6 
1 1 1 12 44 7  o 8.225000       1.065000      548.2125      -45.4  
1 1 1 12 44 8  o 1.151000       1.063000      77.60361      -65.8  
1 1 1 12 44 9  o 5.303000       0.9054000     280.8720      -97.4  
1 1 1 12 44 10 o 1.452000       0.8242000     150.6097      -165.3 
1 1 1 12 44 11 o 7.060000       1.169000      394.6630      -23.9  
1 1 1 12 44 12 o 2.520000       0.9940000     177.8038      117.6  
1 1 1 12 44 13 o 19.50000       1.389000      663.3445      -179.4 
1 1 1 12 44 14 o 1.269000       1.207000      201.6071      -77.9  
1 1 1 12 44 15 o 25.17000       1.499000      653.7564      152.0  
1 1 1 12 44 16 o 1.611000       1.266000      201.6967      165.9  
1 1 1 12 44 17 o 4.303000       1.374000      295.0022      172.9  
1 1 1 12 44 18 o 3.234000       1.404000      332.4986      11.1   
1 1 1 12 44 19 o 5.624000       1.324000      339.1988      -88.2  
1 1 1 12 44 20 o 3.175000       1.306000      273.2089      116.5  
1 1 1 12 44 21 o 3.506000       0.9385000     176.6588      163.4  
1 1 1 12 44 22 o 8.433000       1.407000      445.5193      -27.1  
1 1 1 12 44 23 o 3.918000       1.388000      320.2201      -149.4 
1 1 1 12 44 24 o 4.568000       1.431000      321.0034      -74.9  
1 1 1 12 44 25 o 7.533000       1.906000      398.7518      75.9   
1 1 1 12 44 26 o 1.906000       1.906000      321.6280      -148.4 
1 1 1 12 44 27 o 7.470000       2.178000      266.9311      -24.4  
1 1 1 12 44 28 o 14.81000       2.331000      465.7243      91.6   
1 1 1 12 44 29 o 10.75000       1.585000      453.7208      -94.7  
1 1 1 12 44 30 o 14.24000       1.636000      450.9697      115.8  
1 1 1 12 44 31 o 3.890000       1.120000      244.0081      131.6  
1 1 1 12 44 32 o 1.118000       1.126000      125.7495      143.8  
1 1 1 12 44 33 o 2.971000       1.158000      ?             ?      
1 1 1 12 44 34 o 0.1892000      1.126000      ?             ?      
1 1 1 12 44 35 o 2.190000       1.090000      ?             ?      
1 1 1 12 44 36 o -1.238000      1.066000      ?             ?      
1 1 1 12 44 37 o 1.818000       1.080000      ?             ?      
1 1 1 12 44 38 o 22.77000       1.886000      ?             ?      
1 1 1 12 44 39 o 1.593000       1.074000      ?             ?      
1 1 1 12 44 40 o 2.565000       1.187000      ?             ?      
1 1 1 12 44 41 o -0.9598000     0.9338000     ?             ?      
1 1 1 12 44 42 o 7.642000       1.807000      ?             ?      
1 1 1 12 44 43 o 5.887000       1.350000      ?             ?      
1 1 1 12 44 44 o 1.856000       0.9566000     ?             ?      
1 1 1 12 44 45 o 2.629000       0.8830000     ?             ?      
1 1 1 12 44 46 o 2.999000       0.9178000     ?             ?      
1 1 1 12 44 47 o -0.7027000     0.9087000     ?             ?      
1 1 1 12 44 48 o -0.6062000     0.9231000     ?             ?      
1 1 1 12 44 49 o 0.3017000      0.9337000     ?             ?      
1 1 1 12 44 50 o 0.2803000      1.019000      ?             ?      
1 1 1 12 44 51 o -0.6730000     1.046000      ?             ?      
1 1 1 12 44 52 o -1.497000      1.187000      ?             ?      
1 1 1 12 44 53 o 0.6056000      1.792000      ?             ?      
1 1 1 12 44 54 o 0.3945000      1.198000      ?             ?      
1 1 1 12 44 55 o 0.8776000      1.133000      ?             ?      
1 1 1 12 44 56 o -0.1980000     1.887000      ?             ?      
1 1 1 12 45 0  o 3.959000       1.252000      390.5106      -180.0 
1 1 1 12 45 1  o 0.2712000      0.8772000     105.5222      106.7  
1 1 1 12 45 2  o 6.168000       0.9031000     345.4662      171.7  
1 1 1 12 45 3  o 0.5442000      0.8804000     101.1910      -11.9  
1 1 1 12 45 4  o 2.964000       0.8596000     150.0076      -65.9  
1 1 1 12 45 5  o 13.24000       0.9663000     493.3098      -48.2  
1 1 1 12 45 6  o 10.76000       0.9432000     426.0440      67.8   
1 1 1 12 45 7  o 0.1446000      1.023000      198.8772      69.8   
1 1 1 12 45 8  o 6.016000       1.113000      248.4982      26.5   
1 1 1 12 45 9  o 4.057000       0.8948000     241.7177      -125.7 
1 1 1 12 45 10 o 2.387000       0.8228000     396.6833      46.8   
1 1 1 12 45 11 o 6.120000       1.827000      180.4093      -146.6 
1 1 1 12 45 12 o 3.852000       0.9820000     334.5952      -14.0  
1 1 1 12 45 13 o 3.954000       0.9825000     366.3095      -117.5 
1 1 1 12 45 14 o 2.653000       1.010000      269.9716      -145.1 
1 1 1 12 45 15 o 0.1029000      1.320000      73.05746      103.7  
1 1 1 12 45 16 o 1.745000       1.312000      192.2371      -172.9 
1 1 1 12 45 17 o 2.785000       1.313000      107.3981      -38.0  
1 1 1 12 45 18 o 17.20000       1.469000      551.4200      -78.0  
1 1 1 12 45 19 o 2.601000       1.328000      200.4306      -112.1 
1 1 1 12 45 20 o 9.790000       1.378000      346.9828      138.0  
1 1 1 12 45 21 o -1.232000      1.300000      69.31447      171.7  
1 1 1 12 45 22 o 7.484000       1.836000      203.9441      -32.6  
1 1 1 12 45 23 o 3.847000       1.854000      268.4196      74.8   
1 1 1 12 45 24 o -0.5113000E-01 2.226000      281.0600      -25.0  
1 1 1 12 45 25 o 6.559000       2.783000      335.7354      22.6   
1 1 1 12 45 26 o 4.234000       2.794000      265.1887      163.3  
1 1 1 12 45 27 o -1.431000      2.696000      148.6080      40.6   
1 1 1 12 45 28 o 6.877000       2.514000      262.7331      -74.8  
1 1 1 12 45 29 f 1.175000       1.933000      94.82127      -115.6 
1 1 1 12 45 30 o 0.7274000      1.941000      219.6292      -133.4 
1 1 1 12 45 31 o 6.536000       1.673000      ?             ?      
1 1 1 12 45 32 o 4.643000       1.526000      ?             ?      
1 1 1 12 45 33 o 0.1629000      1.108000      ?             ?      
1 1 1 12 45 34 o 4.593000       1.135000      ?             ?      
1 1 1 12 45 35 o 1.490000       1.110000      ?             ?      
1 1 1 12 45 36 o 3.359000       1.130000      ?             ?      
1 1 1 12 45 37 o -0.2266000     1.056000      ?             ?      
1 1 1 12 45 38 o 11.81000       1.238000      ?             ?      
1 1 1 12 45 39 o 1.027000       1.058000      ?             ?      
1 1 1 12 45 40 o -1.064000      1.205000      ?             ?      
1 1 1 12 45 41 o 3.484000       1.281000      ?             ?      
1 1 1 12 45 42 o 0.3773000      1.029000      ?             ?      
1 1 1 12 45 43 o 0.6109000      1.298000      ?             ?      
1 1 1 12 45 44 o 3.237000       1.150000      ?             ?      
1 1 1 12 45 45 o -1.070000      0.9234000     ?             ?      
1 1 1 12 45 46 o 1.491000       0.8732000     ?             ?      
1 1 1 12 45 47 o 2.578000       0.8967000     ?             ?      
1 1 1 12 45 48 o -0.1316000     0.9062000     ?             ?      
1 1 1 12 45 49 o 0.7102000      0.9247000     ?             ?      
1 1 1 12 45 50 o 0.4890000      0.9505000     ?             ?      
1 1 1 12 45 51 o 0.2601000      0.9574000     ?             ?      
1 1 1 12 45 52 o 0.5744000      1.172000      ?             ?      
1 1 1 12 45 53 o 0.4899000      1.308000      ?             ?      
1 1 1 12 45 54 o 2.617000       1.691000      ?             ?      
1 1 1 12 45 55 o -2.573000      2.161000      ?             ?      
1 1 1 12 46 0  o 0.4938000E-01  1.241000      53.78733      180.0  
1 1 1 12 46 1  o 1.765000       0.9003000     209.5305      -44.7  
1 1 1 12 46 2  o 0.3121000E-02  0.9007000     121.2359      -53.4  
1 1 1 12 46 3  o 0.6996000      0.8914000     31.63960      -155.5 
1 1 1 12 46 4  o 5.990000       0.8861000     387.3369      157.2  
1 1 1 12 46 5  o 0.5556000      0.9581000     138.3074      -44.8  
1 1 1 12 46 6  o 3.467000       0.9315000     149.3128      -137.9 
1 1 1 12 46 7  o 11.00000       1.224000      527.3091      112.6  
1 1 1 12 46 8  o -0.4165000     1.010000      38.24417      -50.5  
1 1 1 12 46 9  o 3.283000       0.8905000     256.0244      54.4   
1 1 1 12 46 10 o 8.125000       0.8729000     476.3289      -109.6 
1 1 1 12 46 11 o 0.8704000      0.9823000     86.71744      135.7  
1 1 1 12 46 12 o 0.9578000      1.105000      237.9007      -161.7 
1 1 1 12 46 13 o -1.022000      1.140000      86.45995      171.1  
1 1 1 12 46 14 o 2.966000       1.060000      307.1096      -62.2  
1 1 1 12 46 15 o -0.1548000     1.292000      107.2918      -60.0  
1 1 1 12 46 16 o -1.088000      1.294000      41.62466      93.8   
1 1 1 12 46 17 o 9.001000       1.376000      341.9520      -66.8  
1 1 1 12 46 18 o 5.010000       1.377000      222.7018      54.3   
1 1 1 12 46 19 o 11.31000       1.434000      409.3583      -23.4  
1 1 1 12 46 20 o -2.724000      1.754000      32.77256      148.4  
1 1 1 12 46 21 o 1.354000       1.804000      228.2677      -63.5  
1 1 1 12 46 22 o 4.389000       1.849000      240.5253      10.7   
1 1 1 12 46 23 o 3.430000       1.877000      312.4984      159.0  
1 1 1 12 46 24 o 1.599000       2.286000      204.3989      45.2   
1 1 1 12 46 25 o -1.045000      2.521000      195.8001      8.9    
1 1 1 12 46 26 o 0.9975000      2.786000      173.3947      166.5  
1 1 1 12 46 27 o -0.2676000     2.434000      194.9818      -81.2  
1 1 1 12 46 28 o 4.609000       1.951000      218.1598      -143.3 
1 1 1 12 46 29 o 7.134000       1.984000      ?             ?      
1 1 1 12 46 30 o 1.908000       2.895000      ?             ?      
1 1 1 12 46 31 o 0.4950000      1.932000      ?             ?      
1 1 1 12 46 32 o -3.833000      1.888000      ?             ?      
1 1 1 12 46 33 o 2.410000       1.575000      ?             ?      
1 1 1 12 46 34 o -0.2418000E-01 1.083000      ?             ?      
1 1 1 12 46 35 o 4.075000       1.113000      ?             ?      
1 1 1 12 46 36 o -0.1970000     1.126000      ?             ?      
1 1 1 12 46 37 o 3.273000       1.102000      ?             ?      
1 1 1 12 46 38 o 0.8916000      1.055000      ?             ?      
1 1 1 12 46 39 o -1.101000      1.032000      ?             ?      
1 1 1 12 46 40 o 0.6948000      1.168000      ?             ?      
1 1 1 12 46 41 o 1.230000       1.094000      ?             ?      
1 1 1 12 46 42 o -0.2369000     1.182000      ?             ?      
1 1 1 12 46 43 o 0.9398000E-01  1.256000      ?             ?      
1 1 1 12 46 44 o 1.598000       1.168000      ?             ?      
1 1 1 12 46 45 o 1.414000       1.334000      ?             ?      
1 1 1 12 46 46 o -0.3879000     1.756000      ?             ?      
1 1 1 12 46 47 o -0.2483000     0.8662000     ?             ?      
1 1 1 12 46 48 o -0.2170000     0.8781000     ?             ?      
1 1 1 12 46 49 o -0.4366000E-01 1.025000      ?             ?      
1 1 1 12 46 50 o 0.5815000      1.049000      ?             ?      
1 1 1 12 46 51 o 0.7409000      1.097000      ?             ?      
1 1 1 12 46 52 o 0.9241000      1.122000      ?             ?      
1 1 1 12 46 53 o 1.152000       1.121000      ?             ?      
1 1 1 12 46 54 o 0.3555000      2.152000      ?             ?      
1 1 1 12 47 0  o -1.374000      1.283000      15.14625      180.0  
1 1 1 12 47 1  o 0.6232000      0.9320000     124.0608      125.3  
1 1 1 12 47 2  o 1.132000       0.9375000     111.1770      -167.1 
1 1 1 12 47 3  o 3.634000       0.9344000     268.7581      -27.6  
1 1 1 12 47 4  o 1.268000       0.8999000     188.6618      99.7   
1 1 1 12 47 5  o 3.154000       0.9475000     341.2499      -150.7 
1 1 1 12 47 6  o 11.58000       1.176000      430.9919      114.5  
1 1 1 12 47 7  o 1.862000       1.178000      159.9336      -39.9  
1 1 1 12 47 8  o 1.254000       1.100000      183.8105      -139.8 
1 1 1 12 47 9  o 1.136000       1.082000      169.1767      30.0   
1 1 1 12 47 10 o 5.550000       1.298000      340.7638      101.2  
1 1 1 12 47 11 o -0.4122000     0.9986000     151.7020      -82.6  
1 1 1 12 47 12 o 1.378000       1.013000      254.3161      -74.2  
1 1 1 12 47 13 o 2.831000       0.9774000     302.0602      60.2   
1 1 1 12 47 14 o 1.588000       1.284000      175.9241      110.1  
1 1 1 12 47 15 o 11.50000       1.420000      384.5275      74.2   
1 1 1 12 47 16 o 2.716000       1.323000      189.9496      -174.8 
1 1 1 12 47 17 o 2.837000       1.329000      248.5912      -152.0 
1 1 1 12 47 18 o 0.7254000      1.344000      116.8475      54.4   
1 1 1 12 47 19 o 9.111000       1.418000      282.3208      -170.8 
1 1 1 12 47 20 o 8.244000       1.864000      302.5623      58.9   
1 1 1 12 47 21 o 2.079000       1.840000      89.19767      -170.9 
1 1 1 12 47 22 o 1.271000       1.858000      136.0001      105.9  
1 1 1 12 47 23 o 6.097000       2.299000      249.8138      87.1   
1 1 1 12 47 24 o 9.206000       2.877000      365.2626      -1.4   
1 1 1 12 47 25 o 7.527000       2.858000      316.1808      133.3  
1 1 1 12 47 26 o 2.177000       2.684000      134.7717      -105.5 
1 1 1 12 47 27 o 0.9030000      2.393000      ?             ?      
1 1 1 12 47 28 o 2.317000       1.907000      ?             ?      
1 1 1 12 47 29 o 0.8442000      2.830000      ?             ?      
1 1 1 12 47 30 o 6.186000       1.935000      ?             ?      
1 1 1 12 47 31 o 1.813000       1.910000      ?             ?      
1 1 1 12 47 32 o 4.471000       1.938000      ?             ?      
1 1 1 12 47 33 o -2.684000      1.877000      ?             ?      
1 1 1 12 47 34 o 4.480000       1.899000      ?             ?      
1 1 1 12 47 35 o 2.446000       1.250000      ?             ?      
1 1 1 12 47 36 o 2.511000       1.191000      ?             ?      
1 1 1 12 47 37 o -0.2390000     1.170000      ?             ?      
1 1 1 12 47 38 o -0.3695000     1.065000      ?             ?      
1 1 1 12 47 39 o 0.9709000      1.183000      ?             ?      
1 1 1 12 47 40 o 1.914000       1.142000      ?             ?      
1 1 1 12 47 41 o -0.3529000     1.199000      ?             ?      
1 1 1 12 47 42 o 0.8335000      1.192000      ?             ?      
1 1 1 12 47 43 o 0.6258000      1.065000      ?             ?      
1 1 1 12 47 44 o -0.1178000E-01 1.152000      ?             ?      
1 1 1 12 47 45 o 1.408000       1.168000      ?             ?      
1 1 1 12 47 46 o 1.230000       1.205000      ?             ?      
1 1 1 12 47 47 o -3.140000      1.724000      ?             ?      
1 1 1 12 47 48 o -1.335000      0.9307000     ?             ?      
1 1 1 12 47 49 o -0.2576000     0.9227000     ?             ?      
1 1 1 12 47 50 o -0.6823000     0.9292000     ?             ?      
1 1 1 12 47 51 o -0.1703000     0.9683000     ?             ?      
1 1 1 12 47 52 o 0.5923000      1.400000      ?             ?      
1 1 1 12 48 0  o 10.05000       1.446000      276.8490      -180.0 
1 1 1 12 48 1  o 3.965000       0.9956000     278.4741      3.4    
1 1 1 12 48 2  o 13.56000       1.147000      437.2384      -143.5 
1 1 1 12 48 3  o 10.09000       1.103000      380.7546      -153.2 
1 1 1 12 48 4  o 0.8097000      1.072000      128.3444      53.3   
1 1 1 12 48 5  o 2.801000       0.9826000     221.2804      -124.4 
1 1 1 12 48 6  o -0.2551000     1.108000      123.0767      -86.5  
1 1 1 12 48 7  o 4.892000       1.220000      334.6194      -179.5 
1 1 1 12 48 8  o 1.308000       1.570000      69.13113      178.6  
1 1 1 12 48 9  o 6.670000       0.9929000     255.8846      116.7  
1 1 1 12 48 10 o 0.9790000      1.113000      131.6911      -134.0 
1 1 1 12 48 11 o 1.061000       0.9841000     106.3208      -153.4 
1 1 1 12 48 12 o 0.9404000      0.9904000     125.2683      17.3   
1 1 1 12 48 13 o 0.6481000      0.9885000     127.3891      104.1  
1 1 1 12 48 14 o 10.06000       1.397000      404.6183      -123.8 
1 1 1 12 48 15 o 9.845000       1.401000      410.1808      -82.6  
1 1 1 12 48 16 o 4.552000       1.341000      239.7188      -134.1 
1 1 1 12 48 17 o 6.335000       1.377000      246.3448      -77.9  
1 1 1 12 48 18 o 3.586000       1.786000      182.4082      45.1   
1 1 1 12 48 19 o 3.981000       1.812000      164.8047      -40.3  
1 1 1 12 48 20 o 8.863000       1.895000      342.7141      -139.2 
1 1 1 12 48 21 o 3.803000       1.894000      280.4212      171.0  
1 1 1 12 48 22 o 2.499000       1.884000      190.9531      102.3  
1 1 1 12 48 23 o 1.222000       2.095000      237.4952      -134.5 
1 1 1 12 48 24 o 2.010000       1.616000      ?             ?      
1 1 1 12 48 25 o 2.533000       1.622000      ?             ?      
1 1 1 12 48 26 o 8.068000       2.194000      ?             ?      
1 1 1 12 48 27 o -1.093000      1.510000      ?             ?      
1 1 1 12 48 28 o 0.8463000      1.503000      ?             ?      
1 1 1 12 48 29 o 1.760000       1.499000      ?             ?      
1 1 1 12 48 30 o 0.7525000      1.887000      ?             ?      
1 1 1 12 48 31 o 2.687000       1.874000      ?             ?      
1 1 1 12 48 32 o 0.3758000      1.868000      ?             ?      
1 1 1 12 48 33 o 3.039000       1.882000      ?             ?      
1 1 1 12 48 34 o 8.050000       1.998000      ?             ?      
1 1 1 12 48 35 o 4.422000       1.968000      ?             ?      
1 1 1 12 48 36 o -1.672000      1.633000      ?             ?      
1 1 1 12 48 37 o 1.491000       1.166000      ?             ?      
1 1 1 12 48 38 o 1.039000       1.176000      ?             ?      
1 1 1 12 48 39 o -0.2527000     1.279000      ?             ?      
1 1 1 12 48 40 o -0.8049000     1.082000      ?             ?      
1 1 1 12 48 41 o 0.2068000      1.201000      ?             ?      
1 1 1 12 48 42 o 1.766000       1.155000      ?             ?      
1 1 1 12 48 43 o 1.199000       1.054000      ?             ?      
1 1 1 12 48 44 o 0.2714000      1.062000      ?             ?      
1 1 1 12 48 45 o 0.8960000      1.064000      ?             ?      
1 1 1 12 48 46 o 0.1834000      1.171000      ?             ?      
1 1 1 12 48 47 o 0.6545000      1.180000      ?             ?      
1 1 1 12 48 48 o 0.7443000      1.431000      ?             ?      
1 1 1 12 48 49 o -0.8065000     1.336000      ?             ?      
1 1 1 12 48 50 o -0.2639000     0.9111000     ?             ?      
1 1 1 12 48 51 o -0.2151000     1.010000      ?             ?      
1 1 1 12 49 0  o 1.430000       1.541000      15.94671      0.0    
1 1 1 12 49 1  o 2.069000       1.057000      207.5716      -59.0  
1 1 1 12 49 2  o 0.9427000E-01  1.064000      126.3451      58.5   
1 1 1 12 49 3  o 1.500000       1.032000      152.6729      -55.3  
1 1 1 12 49 4  o -1.123000      1.200000      50.34821      -178.5 
1 1 1 12 49 5  o -0.1052000     1.045000      31.09930      13.9   
1 1 1 12 49 6  o 0.1287000      0.9305000     207.9005      -163.0 
1 1 1 12 49 7  o 3.707000       1.002000      232.4824      -169.0 
1 1 1 12 49 8  o 4.354000       1.851000      194.8423      -152.2 
1 1 1 12 49 9  o 2.142000       1.985000      186.6332      14.1   
1 1 1 12 49 10 o 4.685000       0.8469000     360.0600      131.0  
1 1 1 12 49 11 o 1.618000       0.9894000     61.35382      135.1  
1 1 1 12 49 12 o 2.733000       1.011000      118.1986      -27.3  
1 1 1 12 49 13 o 11.32000       1.405000      433.2976      53.7   
1 1 1 12 49 14 o 1.988000       1.348000      173.7359      59.0   
1 1 1 12 49 15 o 3.867000       1.348000      346.7714      21.7   
1 1 1 12 49 16 o 0.2746000      1.315000      53.89987      122.8  
1 1 1 12 49 17 o 0.1526000      1.304000      119.8845      -155.5 
1 1 1 12 49 18 o 0.2232000      1.785000      129.2160      7.3    
1 1 1 12 49 19 o 4.167000       1.809000      147.4245      -98.5  
1 1 1 12 49 20 o 1.333000       1.808000      27.45845      73.9   
1 1 1 12 49 21 o 0.3082000      1.824000      ?             ?      
1 1 1 12 49 22 o 2.536000       1.998000      ?             ?      
1 1 1 12 49 23 o -0.3552000     1.992000      ?             ?      
1 1 1 12 49 24 f 1.405000       1.575000      ?             ?      
1 1 1 12 49 25 o 1.410000       2.106000      ?             ?      
1 1 1 12 49 26 o -0.6050000     2.103000      ?             ?      
1 1 1 12 49 27 o 1.045000       1.256000      ?             ?      
1 1 1 12 49 28 o 3.965000       1.521000      ?             ?      
1 1 1 12 49 29 o -0.4482000     1.493000      ?             ?      
1 1 1 12 49 30 o 5.316000       1.547000      ?             ?      
1 1 1 12 49 31 o 2.029000       1.503000      ?             ?      
1 1 1 12 49 32 o -3.842000      1.497000      ?             ?      
1 1 1 12 49 33 o 2.548000       1.901000      ?             ?      
1 1 1 12 49 34 o 1.927000       1.936000      ?             ?      
1 1 1 12 49 35 o 1.685000       1.921000      ?             ?      
1 1 1 12 49 36 o 1.937000       1.953000      ?             ?      
1 1 1 12 49 37 o 4.965000       1.952000      ?             ?      
1 1 1 12 49 38 o 2.190000       1.343000      ?             ?      
1 1 1 12 49 39 o 0.5576000      1.337000      ?             ?      
1 1 1 12 49 40 o 0.5598000      1.349000      ?             ?      
1 1 1 12 49 41 o 0.6280000      1.299000      ?             ?      
1 1 1 12 49 42 o 0.4534000      1.062000      ?             ?      
1 1 1 12 49 43 o -0.6537000     1.017000      ?             ?      
1 1 1 12 49 44 o -0.7810000     1.047000      ?             ?      
1 1 1 12 49 45 o -0.1016000     1.056000      ?             ?      
1 1 1 12 49 46 o -1.538000      1.382000      ?             ?      
1 1 1 12 49 47 o -0.7325000     1.342000      ?             ?      
1 1 1 12 49 48 o -0.7655000     1.408000      ?             ?      
1 1 1 12 49 49 o -0.8328000     1.390000      ?             ?      
1 1 1 12 49 50 o 1.583000       1.525000      ?             ?      
1 1 1 12 50 0  o -1.069000      1.584000      8.187444      180.0  
1 1 1 12 50 1  f 0.8225000      1.241000      133.0048      138.3  
1 1 1 12 50 2  o -1.237000      1.009000      37.80910      -118.8 
1 1 1 12 50 3  o 0.3695000      0.9918000     58.18786      138.2  
1 1 1 12 50 4  o 1.900000       1.129000      33.06682      71.0   
1 1 1 12 50 5  o 4.713000       1.133000      290.9113      -142.7 
1 1 1 12 50 6  o 6.960000       0.9333000     261.0384      -46.2  
1 1 1 12 50 7  o 0.5340000      1.092000      133.5990      -51.3  
1 1 1 12 50 8  o -0.7277000     1.067000      10.98300      -157.0 
1 1 1 12 50 9  o 2.014000       0.9417000     199.1969      -122.9 
1 1 1 12 50 10 o 0.5265000      0.8340000     92.28545      -28.5  
1 1 1 12 50 11 o 2.062000       1.005000      47.23186      89.0   
1 1 1 12 50 12 o 1.260000       1.005000      53.89760      54.9   
1 1 1 12 50 13 o 1.990000       0.9797000     247.5090      133.0  
1 1 1 12 50 14 o 2.005000       1.291000      143.4181      154.1  
1 1 1 12 50 15 o 2.237000       1.304000      115.5973      -88.5  
1 1 1 12 50 16 o 4.609000       1.389000      120.1276      125.5  
1 1 1 12 50 17 o 0.7225000      1.449000      61.00313      -9.9   
1 1 1 12 50 18 o 3.771000       1.812000      ?             ?      
1 1 1 12 50 19 o -1.081000      1.763000      ?             ?      
1 1 1 12 50 20 o 1.419000       1.776000      ?             ?      
1 1 1 12 50 21 o -0.1054000     1.498000      ?             ?      
1 1 1 12 50 22 o 0.6628000      1.875000      ?             ?      
1 1 1 12 50 23 o -2.318000      1.473000      ?             ?      
1 1 1 12 50 24 o 2.817000       1.515000      ?             ?      
1 1 1 12 50 25 o 5.610000       2.125000      ?             ?      
1 1 1 12 50 26 o 2.707000       1.504000      ?             ?      
1 1 1 12 50 27 o 1.516000       1.503000      ?             ?      
1 1 1 12 50 28 o -1.037000      1.498000      ?             ?      
1 1 1 12 50 29 o 6.742000       1.571000      ?             ?      
1 1 1 12 50 30 o 1.732000       1.516000      ?             ?      
1 1 1 12 50 31 o 1.117000       1.541000      ?             ?      
1 1 1 12 50 32 o 4.231000       1.576000      ?             ?      
1 1 1 12 50 33 o 0.5236000      1.558000      ?             ?      
1 1 1 12 50 34 o -1.781000      1.526000      ?             ?      
1 1 1 12 50 35 o -0.3470000     1.889000      ?             ?      
1 1 1 12 50 36 o 1.640000       1.935000      ?             ?      
1 1 1 12 50 37 o -2.805000      2.369000      ?             ?      
1 1 1 12 50 38 o 1.027000       2.404000      ?             ?      
1 1 1 12 50 39 o 2.367000       3.049000      ?             ?      
1 1 1 12 50 40 o 0.6842000      1.348000      ?             ?      
1 1 1 12 50 41 o 0.8112000      1.191000      ?             ?      
1 1 1 12 50 42 o -1.237000      1.171000      ?             ?      
1 1 1 12 50 43 o -0.8898000     1.186000      ?             ?      
1 1 1 12 50 44 o -0.1335000     1.165000      ?             ?      
1 1 1 12 50 45 o -1.510000      1.297000      ?             ?      
1 1 1 12 50 46 o -0.4315000     1.344000      ?             ?      
1 1 1 12 50 47 o 3.007000       1.410000      ?             ?      
1 1 1 12 50 48 o 0.7483000      1.377000      ?             ?      
1 1 1 12 50 49 o 1.629000       2.009000      ?             ?      
1 1 1 12 51 0  o -0.2814000     1.375000      8.407328      -0.0   
1 1 1 12 51 1  o 0.9033000      1.179000      89.67198      38.3   
1 1 1 12 51 2  o 0.9328000      1.136000      75.13478      160.8  
1 1 1 12 51 3  o 1.150000       1.066000      83.77824      -166.6 
1 1 1 12 51 4  o 0.5440000      1.078000      100.5729      120.9  
1 1 1 12 51 5  o 2.403000       0.9744000     84.56526      107.9  
1 1 1 12 51 6  o 2.961000       0.9260000     86.28954      -147.8 
1 1 1 12 51 7  o 0.7094000      1.066000      20.97964      105.5  
1 1 1 12 51 8  o 3.022000       1.073000      134.5494      10.7   
1 1 1 12 51 9  o 2.742000       0.9452000     49.68738      62.9   
1 1 1 12 51 10 o 5.389000       0.8550000     198.6172      139.5  
1 1 1 12 51 11 o 0.3350000E-01  0.9898000     17.09161      15.0   
1 1 1 12 51 12 o 1.132000       0.9805000     43.14407      144.9  
1 1 1 12 51 13 o 0.7654000      0.9590000     ?             ?      
1 1 1 12 51 14 o 3.742000       1.290000      ?             ?      
1 1 1 12 51 15 o 1.741000       1.287000      ?             ?      
1 1 1 12 51 16 o 0.1060000      1.293000      ?             ?      
1 1 1 12 51 17 o -0.3220000     1.706000      ?             ?      
1 1 1 12 51 18 f 0.5955000      1.745000      ?             ?      
1 1 1 12 51 19 o 1.560000       1.731000      ?             ?      
1 1 1 12 51 20 o 2.017000       1.759000      ?             ?      
1 1 1 12 51 21 o -0.5576000     1.812000      ?             ?      
1 1 1 12 51 22 o 1.679000       1.893000      ?             ?      
1 1 1 12 51 23 o 0.8953000      1.524000      ?             ?      
1 1 1 12 51 24 o -1.145000      2.054000      ?             ?      
1 1 1 12 51 25 f 3.155000       2.082000      ?             ?      
1 1 1 12 51 26 o 2.611000       1.487000      ?             ?      
1 1 1 12 51 27 o 2.123000       1.507000      ?             ?      
1 1 1 12 51 28 o -0.7400000     1.473000      ?             ?      
1 1 1 12 51 29 o 0.7309000      1.488000      ?             ?      
1 1 1 12 51 30 o 0.8854000      1.524000      ?             ?      
1 1 1 12 51 31 o -1.946000      1.478000      ?             ?      
1 1 1 12 51 32 o 0.6631000      1.520000      ?             ?      
1 1 1 12 51 33 o 0.8081000      1.543000      ?             ?      
1 1 1 12 51 34 o 0.6691000      1.565000      ?             ?      
1 1 1 12 51 35 o 3.335000       1.595000      ?             ?      
1 1 1 12 51 36 o 1.778000       1.603000      ?             ?      
1 1 1 12 51 37 o -0.8331000     2.152000      ?             ?      
1 1 1 12 51 38 o 5.074000       4.130000      ?             ?      
1 1 1 12 51 39 o -1.620000      2.815000      ?             ?      
1 1 1 12 51 40 o 2.808000       2.569000      ?             ?      
1 1 1 12 51 41 o 2.618000       1.667000      ?             ?      
1 1 1 12 51 42 o 1.722000       1.210000      ?             ?      
1 1 1 12 51 43 o 0.8340000E-01  1.510000      ?             ?      
1 1 1 12 51 44 o -0.9019000     1.509000      ?             ?      
1 1 1 12 51 45 o -0.4030000     1.506000      ?             ?      
1 1 1 12 51 46 o -0.3826000     1.389000      ?             ?      
1 1 1 12 51 47 o 1.817000       1.392000      ?             ?      
1 1 1 12 52 0  o 0.5386000      1.409000      69.83665      180.0  
1 1 1 12 52 1  f 3.379000       1.090000      101.6767      177.9  
1 1 1 12 52 2  o 2.006000       1.030000      101.5008      -51.2  
1 1 1 12 52 3  o 2.015000       0.9770000     69.99989      -46.5  
1 1 1 12 52 4  o -0.9659000     1.003000      102.3250      -146.1 
1 1 1 12 52 5  o 0.9441000      0.9023000     ?             ?      
1 1 1 12 52 6  o 0.2516000E-01  0.9032000     ?             ?      
1 1 1 12 52 7  o -0.8523000     1.065000      ?             ?      
1 1 1 12 52 8  o -1.966000      0.9419000     ?             ?      
1 1 1 12 52 9  o -0.1327000     0.8647000     ?             ?      
1 1 1 12 52 10 o -0.5864000     0.8290000     ?             ?      
1 1 1 12 52 11 o 0.6785000      0.9715000     ?             ?      
1 1 1 12 52 12 o -0.1945000     0.9510000     ?             ?      
1 1 1 12 52 13 o 1.266000       0.9205000     ?             ?      
1 1 1 12 52 14 o 0.5858000      1.258000      ?             ?      
1 1 1 12 52 15 o 0.1083000      1.266000      ?             ?      
1 1 1 12 52 16 o 2.921000       1.377000      ?             ?      
1 1 1 12 52 17 o -0.9451000     1.695000      ?             ?      
1 1 1 12 52 18 o -0.3564000     1.694000      ?             ?      
1 1 1 12 52 19 o 1.740000       1.728000      ?             ?      
1 1 1 12 52 20 o 1.872000       1.960000      ?             ?      
1 1 1 12 52 21 o -1.945000      1.881000      ?             ?      
1 1 1 12 52 22 o 0.2133000      1.485000      ?             ?      
1 1 1 12 52 23 f 0.5447000E-01  1.484000      ?             ?      
1 1 1 12 52 24 o 0.5358000      2.041000      ?             ?      
1 1 1 12 52 25 o -0.7306000     1.480000      ?             ?      
1 1 1 12 52 26 o -1.010000      1.469000      ?             ?      
1 1 1 12 52 27 o 0.9712000      1.489000      ?             ?      
1 1 1 12 52 28 o 2.429000       1.505000      ?             ?      
1 1 1 12 52 29 o -0.5583000     1.495000      ?             ?      
1 1 1 12 52 30 o -0.7307000     1.475000      ?             ?      
1 1 1 12 52 31 o -0.5842000     1.513000      ?             ?      
1 1 1 12 52 32 o 1.911000       1.533000      ?             ?      
1 1 1 12 52 33 o 2.541000       1.563000      ?             ?      
1 1 1 12 52 34 o 0.3626000      1.574000      ?             ?      
1 1 1 12 52 35 f 0.7022000      1.608000      ?             ?      
1 1 1 12 52 36 o -1.877000      2.070000      ?             ?      
1 1 1 12 52 37 f -0.2130000     2.077000      ?             ?      
1 1 1 12 52 38 o -0.2081000     1.638000      ?             ?      
1 1 1 12 52 39 o 2.480000       2.332000      ?             ?      
1 1 1 12 52 40 o 0.9133000      2.018000      ?             ?      
1 1 1 12 52 41 o 1.882000       2.614000      ?             ?      
1 1 1 12 52 42 o 0.3933000      2.590000      ?             ?      
1 1 1 12 52 43 o 1.484000       1.918000      ?             ?      
1 1 1 12 52 44 o 0.5770000      1.576000      ?             ?      
1 1 1 12 52 45 o 1.587000       1.155000      ?             ?      
1 1 1 12 52 46 o 0.2829000      1.159000      ?             ?      
1 1 1 12 53 0  o 3.648000       1.371000      ?             ?      
1 1 1 12 53 1  o 1.836000       0.9632000     ?             ?      
1 1 1 12 53 2  o -0.4924000E-01 0.9606000     ?             ?      
1 1 1 12 53 3  o 1.171000       1.011000      ?             ?      
1 1 1 12 53 4  o 0.5591000      0.9528000     ?             ?      
1 1 1 12 53 5  o -0.2949000     0.9133000     ?             ?      
1 1 1 12 53 6  o 1.267000       0.8934000     ?             ?      
1 1 1 12 53 7  o -0.3009000     1.034000      ?             ?      
1 1 1 12 53 8  o -0.8624000     0.9232000     ?             ?      
1 1 1 12 53 9  o 0.4576000      0.9033000     ?             ?      
1 1 1 12 53 10 o 0.5747000      1.081000      ?             ?      
1 1 1 12 53 11 o 0.8894000      1.103000      ?             ?      
1 1 1 12 53 12 o -0.3162000     0.9402000     ?             ?      
1 1 1 12 53 13 o -0.9728000     0.9198000     ?             ?      
1 1 1 12 53 14 o 0.9334000      1.264000      ?             ?      
1 1 1 12 53 15 o 0.9736000      1.289000      ?             ?      
1 1 1 12 53 16 o 0.6084000      1.414000      ?             ?      
1 1 1 12 53 17 o -1.992000      1.681000      ?             ?      
1 1 1 12 53 18 o 3.401000       1.747000      ?             ?      
1 1 1 12 53 19 o 1.096000       1.752000      ?             ?      
1 1 1 12 53 20 o 1.944000       1.858000      ?             ?      
1 1 1 12 53 21 o 1.926000       1.890000      ?             ?      
1 1 1 12 53 22 o -0.4846000     1.466000      ?             ?      
1 1 1 12 53 23 o 0.1830000      2.008000      ?             ?      
1 1 1 12 53 24 o 1.999000       2.024000      ?             ?      
1 1 1 12 53 25 o -0.7543000     1.465000      ?             ?      
1 1 1 12 53 26 o 1.167000       1.478000      ?             ?      
1 1 1 12 53 27 o -1.229000      1.458000      ?             ?      
1 1 1 12 53 28 o 1.657000       1.478000      ?             ?      
1 1 1 12 53 29 o -0.2720000     1.474000      ?             ?      
1 1 1 12 53 30 o 0.5176000      1.515000      ?             ?      
1 1 1 12 53 31 o 3.307000       1.571000      ?             ?      
1 1 1 12 53 32 o -0.3115000     1.546000      ?             ?      
1 1 1 12 53 33 o -0.7722000     1.547000      ?             ?      
1 1 1 12 53 34 o 1.834000       1.594000      ?             ?      
1 1 1 12 53 35 o 0.6165000      1.589000      ?             ?      
1 1 1 12 53 36 o -2.816000      2.071000      ?             ?      
1 1 1 12 53 37 o 3.301000       2.188000      ?             ?      
1 1 1 12 53 38 o 2.911000       2.329000      ?             ?      
1 1 1 12 53 39 o 5.371000       2.406000      ?             ?      
1 1 1 12 53 40 o -1.048000      1.361000      ?             ?      
1 1 1 12 53 41 < 0.000000       -1.000000     ?             ?      
1 1 1 12 53 42 o 0.5094000      2.634000      ?             ?      
1 1 1 12 53 43 o 1.047000       2.613000      ?             ?      
1 1 1 12 53 44 o 3.183000       2.639000      ?             ?      
1 1 1 12 54 0  o -0.5867000     1.278000      ?             ?      
1 1 1 12 54 1  o 0.2001000      0.9008000     ?             ?      
1 1 1 12 54 2  o -0.9964000     1.060000      ?             ?      
1 1 1 12 54 3  o 2.169000       0.9859000     ?             ?      
1 1 1 12 54 4  o 0.1444000      0.9408000     ?             ?      
1 1 1 12 54 5  o -0.7371000     0.8345000     ?             ?      
1 1 1 12 54 6  o 4.602000       0.8969000     ?             ?      
1 1 1 12 54 7  o 0.9218000      1.035000      ?             ?      
1 1 1 12 54 8  o 2.791000       1.016000      ?             ?      
1 1 1 12 54 9  o 0.3393000      0.8707000     ?             ?      
1 1 1 12 54 10 o 0.3765000      0.9794000     ?             ?      
1 1 1 12 54 11 o -0.2241000     0.9617000     ?             ?      
1 1 1 12 54 12 o 0.7120000      1.052000      ?             ?      
1 1 1 12 54 13 o 0.5355000      1.172000      ?             ?      
1 1 1 12 54 14 o 2.862000       1.903000      ?             ?      
1 1 1 12 54 15 o -3.164000      1.804000      ?             ?      
1 1 1 12 54 16 o -0.5543000E-01 1.385000      ?             ?      
1 1 1 12 54 17 o 2.370000       1.957000      ?             ?      
1 1 1 12 54 18 o 1.544000       1.939000      ?             ?      
1 1 1 12 54 19 o -0.2099000     2.293000      ?             ?      
1 1 1 12 54 20 o 1.329000       1.927000      ?             ?      
1 1 1 12 54 21 o 0.3297000      1.477000      ?             ?      
1 1 1 12 54 22 o -0.4627000     1.486000      ?             ?      
1 1 1 12 54 23 o 0.7011000E-01  1.976000      ?             ?      
1 1 1 12 54 24 o -1.063000      1.453000      ?             ?      
1 1 1 12 54 25 o -0.6683000     1.453000      ?             ?      
1 1 1 12 54 26 o 0.6995000      1.434000      ?             ?      
1 1 1 12 54 27 o 0.8210000E-01  1.450000      ?             ?      
1 1 1 12 54 28 o 0.8975000      1.476000      ?             ?      
1 1 1 12 54 29 o 1.689000       1.534000      ?             ?      
1 1 1 12 54 30 o 0.8677000      1.541000      ?             ?      
1 1 1 12 54 31 o -0.2846000     1.563000      ?             ?      
1 1 1 12 54 32 o 2.752000       1.563000      ?             ?      
1 1 1 12 54 33 o 2.373000       1.585000      ?             ?      
1 1 1 12 54 34 o 0.5910000      1.608000      ?             ?      
1 1 1 12 54 35 o 0.1266000      2.056000      ?             ?      
1 1 1 12 54 36 o -0.8306000E-01 2.084000      ?             ?      
1 1 1 12 54 37 o 0.9385000      1.233000      ?             ?      
1 1 1 12 54 38 < 0.000000       -1.000000     ?             ?      
1 1 1 12 54 39 o 2.088000       1.440000      ?             ?      
1 1 1 12 54 40 o 0.1360000      1.126000      ?             ?      
1 1 1 12 54 41 o 0.6002000E-01  1.149000      ?             ?      
1 1 1 12 54 42 o -0.5692000     1.152000      ?             ?      
1 1 1 12 54 43 o -0.8877000     1.341000      ?             ?      
1 1 1 12 55 0  o -0.4845000     1.280000      ?             ?      
1 1 1 12 55 1  o 1.280000       0.9178000     ?             ?      
1 1 1 12 55 2  o 1.389000       1.119000      ?             ?      
1 1 1 12 55 3  o 1.123000       0.9572000     ?             ?      
1 1 1 12 55 4  o -0.1955000     0.8414000     ?             ?      
1 1 1 12 55 5  o -1.400000      0.8209000     ?             ?      
1 1 1 12 55 6  o -0.5912000     0.8723000     ?             ?      
1 1 1 12 55 7  o -0.3227000     0.8838000     ?             ?      
1 1 1 12 55 8  o 0.7831000      0.8667000     ?             ?      
1 1 1 12 55 9  o 0.6918000      0.8009000     ?             ?      
1 1 1 12 55 10 o 0.2215000      0.9480000     ?             ?      
1 1 1 12 55 11 o 0.1540000      0.9354000     ?             ?      
1 1 1 12 55 12 o 1.412000       0.9095000     ?             ?      
1 1 1 12 55 13 o -0.5699000     0.8768000     ?             ?      
1 1 1 12 55 14 o 0.5290000      1.253000      ?             ?      
1 1 1 12 55 15 o 0.3628000      1.756000      ?             ?      
1 1 1 12 55 16 o -0.4567000     1.239000      ?             ?      
1 1 1 12 55 17 o -0.9601000     2.193000      ?             ?      
1 1 1 12 55 18 o 1.422000       2.225000      ?             ?      
1 1 1 12 55 19 o 0.8884000      1.141000      ?             ?      
1 1 1 12 55 20 o 1.156000       1.943000      ?             ?      
1 1 1 12 55 21 o 1.333000       1.438000      ?             ?      
1 1 1 12 55 22 o 2.264000       2.046000      ?             ?      
1 1 1 12 55 23 o 0.5953000E-01  2.019000      ?             ?      
1 1 1 12 55 24 o 1.566000       1.433000      ?             ?      
1 1 1 12 55 25 o 0.6542000      1.422000      ?             ?      
1 1 1 12 55 26 o -0.4415000     1.459000      ?             ?      
1 1 1 12 55 27 o 0.3752000      1.460000      ?             ?      
1 1 1 12 55 28 o 0.6069000      1.489000      ?             ?      
1 1 1 12 55 29 o 1.557000       1.526000      ?             ?      
1 1 1 12 55 30 o 0.8581000      1.547000      ?             ?      
1 1 1 12 55 31 o 0.6211000      1.599000      ?             ?      
1 1 1 12 55 32 o -0.3340000     1.928000      ?             ?      
1 1 1 12 55 33 o -2.114000      1.544000      ?             ?      
1 1 1 12 55 34 o 2.361000       2.126000      ?             ?      
1 1 1 12 55 35 o -0.1204000     1.335000      ?             ?      
1 1 1 12 55 36 o -1.045000      1.607000      ?             ?      
1 1 1 12 55 37 < 0.000000       -1.000000     ?             ?      
1 1 1 12 55 38 o 1.416000       1.078000      ?             ?      
1 1 1 12 55 39 o 2.431000       1.121000      ?             ?      
1 1 1 12 55 40 o 1.167000       1.132000      ?             ?      
1 1 1 12 55 41 o 0.8477000      1.133000      ?             ?      
1 1 1 12 56 0  o -0.3098000     1.238000      ?             ?      
1 1 1 12 56 1  o -0.5684000     0.8964000     ?             ?      
1 1 1 12 56 2  o -0.1280000     1.082000      ?             ?      
1 1 1 12 56 3  o -0.3569000     0.9076000     ?             ?      
1 1 1 12 56 4  o 1.354000       0.8400000     ?             ?      
1 1 1 12 56 5  o 4.251000       0.8906000     ?             ?      
1 1 1 12 56 6  o 1.635000       0.8666000     ?             ?      
1 1 1 12 56 7  o 0.5139000      0.8548000     ?             ?      
1 1 1 12 56 8  o 1.524000       0.8477000     ?             ?      
1 1 1 12 56 9  o -0.3903000     0.7731000     ?             ?      
1 1 1 12 56 10 o -0.6161000     0.9300000     ?             ?      
1 1 1 12 56 11 o -0.6097000     1.039000      ?             ?      
1 1 1 12 56 12 o -0.6127000     0.8759000     ?             ?      
1 1 1 12 56 13 o 0.1606000E-01  0.8741000     ?             ?      
1 1 1 12 56 14 o 0.4817000      1.328000      ?             ?      
1 1 1 12 56 15 o -0.1975000     1.348000      ?             ?      
1 1 1 12 56 16 o -2.276000      1.391000      ?             ?      
1 1 1 12 56 17 o 1.227000       1.694000      ?             ?      
1 1 1 12 56 18 o 1.184000       2.098000      ?             ?      
1 1 1 12 56 19 o -1.551000      1.875000      ?             ?      
1 1 1 12 56 20 o 0.3921000      1.140000      ?             ?      
1 1 1 12 56 21 o -0.6890000E-01 1.164000      ?             ?      
1 1 1 12 56 22 o 1.173000       1.977000      ?             ?      
1 1 1 12 56 23 o 2.373000       1.961000      ?             ?      
1 1 1 12 56 24 o -2.191000      1.465000      ?             ?      
1 1 1 12 56 25 o 1.699000       1.494000      ?             ?      
1 1 1 12 56 26 o 0.5585000      1.511000      ?             ?      
1 1 1 12 56 27 o -1.563000      1.494000      ?             ?      
1 1 1 12 56 28 o -1.068000      1.840000      ?             ?      
1 1 1 12 56 29 o 0.4181000      1.872000      ?             ?      
1 1 1 12 56 30 o -3.791000      2.817000      ?             ?      
1 1 1 12 56 31 o -0.2761000E-01 1.874000      ?             ?      
1 1 1 12 56 32 o 2.061000       1.911000      ?             ?      
1 1 1 12 56 33 o -1.409000      2.432000      ?             ?      
1 1 1 12 56 34 o 2.920000       2.528000      ?             ?      
1 1 1 12 56 35 o -5.043000      3.884000      ?             ?      
1 1 1 12 56 37 o -1.709000      2.569000      ?             ?      
1 1 1 12 56 38 o -0.8593000     2.597000      ?             ?      
1 1 1 12 56 39 o -1.147000      2.633000      ?             ?      
1 1 1 12 57 0  o 0.2856000      1.247000      ?             ?      
1 1 1 12 57 1  o 1.267000       0.9105000     ?             ?      
1 1 1 12 57 2  o 2.727000       1.110000      ?             ?      
1 1 1 12 57 3  o 3.885000       0.8645000     ?             ?      
1 1 1 12 57 4  o 0.7996000      0.8304000     ?             ?      
1 1 1 12 57 5  o 0.6767000      0.8565000     ?             ?      
1 1 1 12 57 6  o 3.233000       0.8730000     ?             ?      
1 1 1 12 57 7  f 0.9154000      0.8537000     ?             ?      
1 1 1 12 57 8  o -0.5994000E-01 0.8226000     ?             ?      
1 1 1 12 57 9  o 0.1288000      0.7676000     ?             ?      
1 1 1 12 57 10 o 0.6067000      0.9468000     ?             ?      
1 1 1 12 57 11 o -0.3225000     0.8924000     ?             ?      
1 1 1 12 57 12 o -1.259000      0.8637000     ?             ?      
1 1 1 12 57 13 o 1.205000       1.254000      ?             ?      
1 1 1 12 57 14 o 0.8897000      1.294000      ?             ?      
1 1 1 12 57 15 o -2.025000      1.313000      ?             ?      
1 1 1 12 57 16 o 0.2138000      1.647000      ?             ?      
1 1 1 12 57 17 o -1.073000      1.667000      ?             ?      
1 1 1 12 57 18 o 0.9736000      2.070000      ?             ?      
1 1 1 12 57 19 o 0.3708000      1.860000      ?             ?      
1 1 1 12 57 20 o -0.7384000E-01 1.400000      ?             ?      
1 1 1 12 57 21 o -1.958000      1.968000      ?             ?      
1 1 1 12 57 22 o 0.3321000E-01  2.096000      ?             ?      
1 1 1 12 57 23 o -0.7158000     1.903000      ?             ?      
1 1 1 12 57 24 o 1.792000       1.060000      ?             ?      
1 1 1 12 57 25 o 2.033000       1.045000      ?             ?      
1 1 1 12 57 26 o -1.161000      0.9924000     ?             ?      
1 1 1 12 57 27 o -2.623000      2.412000      ?             ?      
1 1 1 12 57 28 o 1.338000       1.887000      ?             ?      
1 1 1 12 57 29 o 0.5131000      2.145000      ?             ?      
1 1 1 12 57 30 o 0.1910000      3.119000      ?             ?      
1 1 1 12 57 31 o -2.585000      3.128000      ?             ?      
1 1 1 12 57 32 o -2.011000      2.457000      ?             ?      
1 1 1 12 57 34 o 2.020000       2.588000      ?             ?      
1 1 1 12 57 36 o 4.110000       3.441000      ?             ?      
1 1 1 12 57 37 o -0.8336000     2.594000      ?             ?      
1 1 1 12 58 0  o 0.2053000      1.309000      ?             ?      
1 1 1 12 58 1  o -1.049000      0.9433000     ?             ?      
1 1 1 12 58 2  o 2.958000       1.095000      ?             ?      
1 1 1 12 58 3  o 1.297000       0.8238000     ?             ?      
1 1 1 12 58 4  o 1.502000       0.7955000     ?             ?      
1 1 1 12 58 5  o 0.8917000      0.8470000     ?             ?      
1 1 1 12 58 6  o -0.2360000     0.7835000     ?             ?      
1 1 1 12 58 7  o 0.5991000      0.8234000     ?             ?      
1 1 1 12 58 8  o 0.1541000      0.8066000     ?             ?      
1 1 1 12 58 9  o 0.4991000      0.7615000     ?             ?      
1 1 1 12 58 10 o -0.4428000     0.9473000     ?             ?      
1 1 1 12 58 11 o -1.533000      0.8887000     ?             ?      
1 1 1 12 58 12 o 0.4282000      0.8648000     ?             ?      
1 1 1 12 58 13 o 1.458000       1.245000      ?             ?      
1 1 1 12 58 14 o 0.8247000      1.334000      ?             ?      
1 1 1 12 58 15 o 2.230000       1.347000      ?             ?      
1 1 1 12 58 16 o -2.154000      1.608000      ?             ?      
1 1 1 12 58 17 o 0.1958000      2.030000      ?             ?      
1 1 1 12 58 18 o 0.1652000      1.954000      ?             ?      
1 1 1 12 58 19 o -0.2583000     1.411000      ?             ?      
1 1 1 12 58 20 o 1.929000       1.420000      ?             ?      
1 1 1 12 58 21 o 2.344000       2.116000      ?             ?      
1 1 1 12 58 22 o 1.364000       2.095000      ?             ?      
1 1 1 12 58 23 o -0.3245000     1.484000      ?             ?      
1 1 1 12 58 24 o 1.453000       1.481000      ?             ?      
1 1 1 12 58 25 o -1.071000      1.820000      ?             ?      
1 1 1 12 58 26 o 2.014000       2.323000      ?             ?      
1 1 1 12 58 27 o -2.073000      2.439000      ?             ?      
1 1 1 12 58 28 o 0.3159000      2.401000      ?             ?      
1 1 1 12 58 29 o 1.765000       2.404000      ?             ?      
1 1 1 12 58 30 o -1.449000      2.490000      ?             ?      
1 1 1 12 58 31 o 1.309000       2.483000      ?             ?      
1 1 1 12 58 32 o 0.4136000      2.494000      ?             ?      
1 1 1 12 58 33 o 4.638000       3.425000      ?             ?      
1 1 1 12 58 35 < 0.000000       -1.000000     ?             ?      
1 1 1 12 59 0  o 3.222000       1.303000      ?             ?      
1 1 1 12 59 1  o -0.1457000     0.9185000     ?             ?      
1 1 1 12 59 2  o 1.288000       0.9907000     ?             ?      
1 1 1 12 59 3  o -0.6897000     0.7919000     ?             ?      
1 1 1 12 59 4  o -0.6437000     0.8354000     ?             ?      
1 1 1 12 59 5  o 0.9898000E-01  0.8345000     ?             ?      
1 1 1 12 59 6  o -1.294000      0.8065000     ?             ?      
1 1 1 12 59 7  o 2.628000       0.8401000     ?             ?      
1 1 1 12 59 8  o 1.250000       0.8781000     ?             ?      
1 1 1 12 59 9  o -0.1417000     0.7663000     ?             ?      
1 1 1 12 59 10 o 0.2922000      0.9500000     ?             ?      
1 1 1 12 59 11 o 2.123000       0.9060000     ?             ?      
1 1 1 12 59 12 o 1.087000       0.8588000     ?             ?      
1 1 1 12 59 13 o -1.703000      1.220000      ?             ?      
1 1 1 12 59 14 o 1.493000       1.298000      ?             ?      
1 1 1 12 59 15 o 0.4894000      1.350000      ?             ?      
1 1 1 12 59 16 o -0.2169000     1.634000      ?             ?      
1 1 1 12 59 17 o 0.2858000E-01  2.034000      ?             ?      
1 1 1 12 59 18 o -1.083000      1.817000      ?             ?      
1 1 1 12 59 19 o 1.784000       1.471000      ?             ?      
1 1 1 12 59 20 o 2.138000       2.080000      ?             ?      
1 1 1 12 59 21 o 0.4816000      2.099000      ?             ?      
1 1 1 12 59 22 o 1.931000       1.442000      ?             ?      
1 1 1 12 59 23 o 1.845000       1.008000      ?             ?      
1 1 1 12 59 24 o -1.567000      2.363000      ?             ?      
1 1 1 12 59 25 o -0.7919000     2.367000      ?             ?      
1 1 1 12 59 26 o -0.7101000     2.441000      ?             ?      
1 1 1 12 59 27 o -1.491000      3.641000      ?             ?      
1 1 1 12 59 28 o -0.1952000     3.702000      ?             ?      
1 1 1 12 59 29 o -2.759000      2.542000      ?             ?      
1 1 1 12 59 30 o -1.219000      2.505000      ?             ?      
1 1 1 12 59 31 o 0.4761000      2.544000      ?             ?      
1 1 1 12 59 32 < 0.000000       -1.000000     ?             ?      
1 1 1 12 59 33 < 0.000000       -1.000000     ?             ?      
1 1 1 12 60 0  o 1.106000       1.272000      ?             ?      
1 1 1 12 60 1  o 0.2964000E-01  0.9109000     ?             ?      
1 1 1 12 60 2  o 2.636000       0.9306000     ?             ?      
1 1 1 12 60 3  o 0.9840000      0.7978000     ?             ?      
1 1 1 12 60 4  o 0.1346000      0.8347000     ?             ?      
1 1 1 12 60 5  o -0.3944000     0.8357000     ?             ?      
1 1 1 12 60 6  o 0.6350000      0.9810000     ?             ?      
1 1 1 12 60 7  o -0.5594000E-01 0.8142000     ?             ?      
1 1 1 12 60 8  o -0.4423000     0.8673000     ?             ?      
1 1 1 12 60 9  o -0.7007000     0.7644000     ?             ?      
1 1 1 12 60 10 o 1.206000       0.9121000     ?             ?      
1 1 1 12 60 11 o 0.3834000      0.8922000     ?             ?      
1 1 1 12 60 12 o 0.2907000      0.8345000     ?             ?      
1 1 1 12 60 13 o -0.3945000E-01 1.308000      ?             ?      
1 1 1 12 60 14 o -0.8305000     1.316000      ?             ?      
1 1 1 12 60 15 o -0.9989000     1.364000      ?             ?      
1 1 1 12 60 16 o 0.6010000      2.046000      ?             ?      
1 1 1 12 60 17 o -1.979000      3.318000      ?             ?      
1 1 1 12 60 18 o -1.296000      1.138000      ?             ?      
1 1 1 12 60 19 o 0.2768000      1.079000      ?             ?      
1 1 1 12 60 20 o 1.309000       1.091000      ?             ?      
1 1 1 12 60 21 o 3.721000       1.032000      ?             ?      
1 1 1 12 60 22 o -0.6912000     0.9847000     ?             ?      
1 1 1 12 60 23 o 2.580000       2.369000      ?             ?      
1 1 1 12 60 24 o -1.799000      2.340000      ?             ?      
1 1 1 12 60 25 o -3.496000      2.336000      ?             ?      
1 1 1 12 60 26 o 2.760000       2.426000      ?             ?      
1 1 1 12 60 27 o -2.641000      2.437000      ?             ?      
1 1 1 12 60 28 o 1.061000       2.465000      ?             ?      
1 1 1 12 60 29 o 3.671000       2.525000      ?             ?      
1 1 1 12 60 30 < 0.000000       -1.000000     ?             ?      
1 1 1 12 61 0  o -0.4664000     1.579000      ?             ?      
1 1 1 12 61 1  o 1.402000       1.064000      ?             ?      
1 1 1 12 61 2  o -0.1580000     0.8038000     ?             ?      
1 1 1 12 61 3  o 2.240000       0.8084000     ?             ?      
1 1 1 12 61 4  o -0.1239000     0.8449000     ?             ?      
1 1 1 12 61 5  o -0.1356000     0.8446000     ?             ?      
1 1 1 12 61 6  o -0.3107000     0.9454000     ?             ?      
1 1 1 12 61 7  o 1.599000       0.8330000     ?             ?      
1 1 1 12 61 8  o 0.1396000      0.8613000     ?             ?      
1 1 1 12 61 9  o 0.4753000      0.7286000     ?             ?      
1 1 1 12 61 10 o 0.4479000      1.024000      ?             ?      
1 1 1 12 61 11 o -0.2110000     0.9841000     ?             ?      
1 1 1 12 61 12 o -0.1905000     0.9280000     ?             ?      
1 1 1 12 61 13 o 0.9175000      1.073000      ?             ?      
1 1 1 12 61 14 o 0.4583000      1.017000      ?             ?      
1 1 1 12 61 15 o 1.445000       1.178000      ?             ?      
1 1 1 12 61 16 o 0.8293000E-01  2.165000      ?             ?      
1 1 1 12 61 17 o 4.424000       3.371000      ?             ?      
1 1 1 12 61 18 o -0.7230000     1.056000      ?             ?      
1 1 1 12 61 19 o -2.155000      1.026000      ?             ?      
1 1 1 12 61 20 o 1.404000       1.028000      ?             ?      
1 1 1 12 61 21 o -0.7315000     0.9868000     ?             ?      
1 1 1 12 61 22 o 2.588000       2.301000      ?             ?      
1 1 1 12 61 23 o 1.459000       2.368000      ?             ?      
1 1 1 12 61 24 o -0.8343000     2.315000      ?             ?      
1 1 1 12 61 25 o -2.059000      2.360000      ?             ?      
1 1 1 12 61 26 o 1.610000       2.425000      ?             ?      
1 1 1 12 61 27 o -2.353000      2.495000      ?             ?      
1 1 1 12 61 28 o 3.714000       2.524000      ?             ?      
1 1 1 12 62 0  o -1.582000      1.602000      ?             ?      
1 1 1 12 62 1  o 0.2691000      1.144000      ?             ?      
1 1 1 12 62 2  o -0.6790000     0.7966000     ?             ?      
1 1 1 12 62 3  o 0.4460000      0.7971000     ?             ?      
1 1 1 12 62 4  o 2.150000       0.8532000     ?             ?      
1 1 1 12 62 5  o -1.090000      0.7946000     ?             ?      
1 1 1 12 62 6  o -3.142000      1.268000      ?             ?      
1 1 1 12 62 7  o 0.5693000E-01  0.8115000     ?             ?      
1 1 1 12 62 8  o 0.1584000      0.8837000     ?             ?      
1 1 1 12 62 9  o -0.3168000     0.8948000     ?             ?      
1 1 1 12 62 10 o -1.285000      1.186000      ?             ?      
1 1 1 12 62 11 o -0.1601000     1.121000      ?             ?      
1 1 1 12 62 12 o 0.1209000E-01  1.117000      ?             ?      
1 1 1 12 62 13 o 0.6554000      1.073000      ?             ?      
1 1 1 12 62 14 o 0.3251000      1.136000      ?             ?      
1 1 1 12 62 15 o -0.9010000     2.141000      ?             ?      
1 1 1 12 62 16 o 0.2481000      3.246000      ?             ?      
1 1 1 12 62 17 o -0.5801000     1.107000      ?             ?      
1 1 1 12 62 18 o 1.029000       1.097000      ?             ?      
1 1 1 12 62 19 o -2.041000      1.020000      ?             ?      
1 1 1 12 62 20 o -0.4792000     1.239000      ?             ?      
1 1 1 12 62 21 o -0.3382000     2.307000      ?             ?      
1 1 1 12 62 22 o -1.000000      2.308000      ?             ?      
1 1 1 12 62 23 o 3.650000       2.362000      ?             ?      
1 1 1 12 62 24 < 0.000000       -1.000000     ?             ?      
1 1 1 12 62 25 < 0.000000       -1.000000     ?             ?      
1 1 1 12 63 0  o -1.801000      1.607000      ?             ?      
1 1 1 12 63 1  o 0.1209000      1.153000      ?             ?      
1 1 1 12 63 2  o -0.1418000     0.8235000     ?             ?      
1 1 1 12 63 3  f -0.9333000E-01 0.8119000     ?             ?      
1 1 1 12 63 4  o -1.361000      0.8799000     ?             ?      
1 1 1 12 63 5  o 0.2343000      0.8076000     ?             ?      
1 1 1 12 63 6  o 1.215000       0.9176000     ?             ?      
1 1 1 12 63 7  o -0.3169000     0.8957000     ?             ?      
1 1 1 12 63 8  o 0.3132000      0.8717000     ?             ?      
1 1 1 12 63 9  o 0.1788000      0.9290000     ?             ?      
1 1 1 12 63 10 o 0.4518000      0.9985000     ?             ?      
1 1 1 12 63 11 o -0.3095000     1.738000      ?             ?      
1 1 1 12 63 12 o 3.507000       1.761000      ?             ?      
1 1 1 12 63 13 o 0.8627000      1.082000      ?             ?      
1 1 1 12 63 14 o 0.2599000      1.172000      ?             ?      
1 1 1 12 63 15 o 0.4100000      2.147000      ?             ?      
1 1 1 12 63 16 o 3.813000       3.321000      ?             ?      
1 1 1 12 63 17 o -1.808000      1.319000      ?             ?      
1 1 1 12 63 18 o 0.1669000      1.324000      ?             ?      
1 1 1 12 63 19 o 0.4214000      1.180000      ?             ?      
1 1 1 12 63 20 o 1.776000       0.9863000     ?             ?      
1 1 1 12 63 21 o -0.8667000     2.320000      ?             ?      
1 1 1 12 64 0  o -0.7646000     1.626000      ?             ?      
1 1 1 12 64 1  o -1.702000      1.057000      ?             ?      
1 1 1 12 64 2  o 1.176000       0.8437000     ?             ?      
1 1 1 12 64 3  o -0.8223000     0.8703000     ?             ?      
1 1 1 12 64 4  o -0.3386000     0.8908000     ?             ?      
1 1 1 12 64 5  o 1.067000       0.8484000     ?             ?      
1 1 1 12 64 6  o -1.250000      0.9259000     ?             ?      
1 1 1 12 64 7  o 0.5001000      0.9210000     ?             ?      
1 1 1 12 64 8  o 0.9674000      0.8953000     ?             ?      
1 1 1 12 64 9  o 1.882000       1.032000      ?             ?      
1 1 1 12 64 10 o -1.213000      0.9892000     ?             ?      
1 1 1 12 64 11 o 0.3705000      0.9301000     ?             ?      
1 1 1 12 64 12 o 0.7904000      1.700000      ?             ?      
1 1 1 12 64 13 o -0.9700000     1.722000      ?             ?      
1 1 1 12 64 14 o 1.721000       1.772000      ?             ?      
1 1 1 12 64 15 o 2.210000       2.372000      ?             ?      
1 1 1 12 64 16 o -1.564000      3.451000      ?             ?      
1 1 1 12 64 17 o 3.217000       1.907000      ?             ?      
1 1 1 12 65 0  o 1.573000       2.246000      ?             ?      
1 1 1 12 65 1  o -0.5760000     1.501000      ?             ?      
1 1 1 12 65 2  o 0.7397000      0.8941000     ?             ?      
1 1 1 12 65 3  o -0.1790000     0.9473000     ?             ?      
1 1 1 12 65 4  o 1.698000       0.9581000     ?             ?      
1 1 1 12 65 5  o 0.3084000      1.086000      ?             ?      
1 1 1 12 65 6  o 0.5898000      0.8170000     ?             ?      
1 1 1 12 65 7  o -0.4938000     1.085000      ?             ?      
1 1 1 12 65 8  o 1.850000       0.9923000     ?             ?      
1 1 1 12 65 9  o 0.5435000      1.717000      ?             ?      
1 1 1 12 65 10 o 2.682000       1.659000      ?             ?      
1 1 1 12 65 11 o 3.761000       3.251000      ?             ?      
1 1 1 13 0  1  o -0.1436000     0.3897000     134.0271      90.0   
1 1 1 13 0  2  o 0.9655000      0.4002000     66.79635      180.0  
1 1 1 13 0  3  o 0.3494000      0.4183000     159.0016      90.0   
1 1 1 13 0  4  o 0.3461000      0.3825000     124.3075      180.0  
1 1 1 13 0  5  o -0.6881000     0.3918000     95.78119      90.0   
1 1 1 13 0  6  o 1.933000       0.4211000     26.53086      -0.0   
1 1 1 13 0  7  o 0.1614000      0.4192000     53.83220      -90.0  
1 1 1 13 0  8  o -0.5286000     0.4313000     4.736845      -180.0 
1 1 1 13 0  9  o -1.076000      0.4626000     49.60278      90.0   
1 1 1 13 0  10 o 0.1876000      0.4940000     50.91391      -0.0   
1 1 1 13 0  11 o -0.3024000     0.5135000     87.75375      90.0   
1 1 1 13 0  12 o 0.8599000      0.5586000     35.55220      180.0  
1 1 1 13 0  13 o 1.671000       0.5967000     27.23482      -90.0  
1 1 1 13 0  14 o 2.343000       0.6410000     223.7988      180.0  
1 1 1 13 0  15 o 1.469000       0.6672000     223.0789      90.0   
1 1 1 13 0  16 o 0.6730000      0.6937000     89.01686      -180.0 
1 1 1 13 0  17 o 3.693000       0.7647000     259.3846      -90.0  
1 1 1 13 0  18 o 1.318000       0.7992000     197.2126      180.0  
1 1 1 13 0  19 o 0.9172000      0.8523000     255.6322      90.0   
1 1 1 13 0  20 o 7.962000       0.9832000     171.4216      0.0    
1 1 1 13 0  21 o 3.191000       0.9876000     209.3459      -90.0  
1 1 1 13 0  22 o 10.99000       1.143000      156.7111      0.0    
1 1 1 13 0  23 o 3.342000       1.145000      317.8262      90.0   
1 1 1 13 0  24 o 0.6104000      1.199000      124.7879      -0.0   
1 1 1 13 0  25 o 3.755000       1.314000      85.02407      -90.0  
1 1 1 13 0  26 o 3.919000       1.416000      265.2066      -180.0 
1 1 1 13 0  27 o 0.4025000      1.481000      115.2968      90.0   
1 1 1 13 0  28 o 4.813000       1.773000      147.7051      0.0    
1 1 1 13 0  29 o -1.010000      2.954000      283.2049      -90.0  
1 1 1 13 0  30 o 4.954000       3.938000      234.9276      180.0  
1 1 1 13 0  31 o 14.31000       2.280000      139.5098      -90.0  
1 1 1 13 0  32 o 3.384000       1.815000      334.8427      0.0    
1 1 1 13 0  33 o 5.190000       1.812000      347.4335      90.0   
1 1 1 13 0  34 o 1.731000       1.721000      69.13459      -0.0   
1 1 1 13 0  35 o 0.8895000E-01  1.595000      169.9695      90.0   
1 1 1 13 0  36 o 2.404000       1.616000      90.01327      0.0    
1 1 1 13 0  37 f 5.520000       1.568000      109.9396      90.0   
1 1 1 13 0  38 o -1.741000      1.479000      63.59449      180.0  
1 1 1 13 0  39 o 2.737000       1.484000      418.6672      -90.0  
1 1 1 13 0  40 o -2.700000      1.468000      178.5564      0.0    
1 1 1 13 0  41 o 3.280000       1.498000      254.9420      90.0   
1 1 1 13 0  42 o 0.5751000      1.718000      95.16615      -0.0   
1 1 1 13 0  43 o -0.1773000     1.730000      270.3328      -90.0  
1 1 1 13 0  44 o 3.231000       1.576000      43.26876      -0.0   
1 1 1 13 0  45 o 3.484000       1.893000      63.79720      90.0   
1 1 1 13 0  46 o -1.201000      1.888000      85.87487      -0.0   
1 1 1 13 0  47 o 5.738000       2.308000      395.0153      90.0   
1 1 1 13 0  48 o 0.3262000      2.598000      242.7077      -0.0   
1 1 1 13 0  49 o -5.415000      2.022000      146.9632      -90.0  
1 1 1 13 0  50 o 8.506000       2.036000      203.8570      -0.0   
1 1 1 13 0  51 o 1.698000       1.752000      204.2964      90.0   
1 1 1 13 0  52 o 1.015000       1.754000      118.4609      0.0    
1 1 1 13 0  53 o 0.2806000      1.818000      160.8609      90.0   
1 1 1 13 0  54 o 3.453000       1.851000      148.3459      180.0  
1 1 1 13 0  55 o 2.696000       1.940000      305.9573      -90.0  
1 1 1 13 0  56 o 5.485000       1.995000      342.1335      -0.0   
1 1 1 13 0  57 o 3.237000       1.967000      138.9001      90.0   
1 1 1 13 0  58 o 3.787000       1.959000      137.6759      -0.0   
1 1 1 13 0  59 o -0.8965000     1.957000      220.3849      90.0   
1 1 1 13 0  60 o 0.2771000      1.940000      ?             ?      
1 1 1 13 0  61 o -0.9457000     1.946000      ?             ?      
1 1 1 13 0  62 o -2.582000      1.948000      ?             ?      
1 1 1 13 0  63 o -3.015000      2.740000      ?             ?      
1 1 1 13 0  64 o 0.5331000      3.958000      ?             ?      
1 1 1 13 0  65 o -1.492000      2.125000      ?             ?      
1 1 1 13 0  66 o -0.3563000     1.852000      ?             ?      
1 1 1 13 0  67 o 0.2164000      1.850000      ?             ?      
1 1 1 13 0  68 o 1.490000       1.877000      ?             ?      
1 1 1 13 0  69 o 0.7405000      1.918000      ?             ?      
1 1 1 13 0  70 o -0.6106000     1.847000      ?             ?      
1 1 1 13 0  71 o 1.859000       1.882000      ?             ?      
1 1 1 13 0  72 o -4.705000      1.878000      ?             ?      
1 1 1 13 0  73 o -1.090000      1.897000      ?             ?      
1 1 1 13 0  74 o 1.347000       1.931000      ?             ?      
1 1 1 13 0  75 o 0.4079000      1.982000      ?             ?      
1 1 1 13 1  0  o 1.137000       0.4006000     69.85567      -90.0  
1 1 1 13 1  1  f 0.6747000      0.3393000     161.9073      87.8   
1 1 1 13 1  2  o 0.6533000      0.2856000     260.1384      -145.4 
1 1 1 13 1  3  o 0.3210000      0.2735000     171.1944      71.7   
1 1 1 13 1  4  o 0.7922000      0.2771000     315.4792      20.9   
1 1 1 13 1  5  o 0.3740000      0.2820000     82.85803      -73.4  
1 1 1 13 1  6  o 1.222000       0.2938000     248.5224      -125.9 
1 1 1 13 1  7  o 1.135000       0.3121000     96.63594      -68.4  
1 1 1 13 1  8  o -0.2912000     0.3039000     65.25642      -160.8 
1 1 1 13 1  9  o 1.674000       0.3332000     317.5397      -175.0 
1 1 1 13 1  10 o -0.7132000E-01 0.3483000     242.2965      -107.6 
1 1 1 13 1  11 o 0.7752000      0.3675000     178.7433      156.1  
1 1 1 13 1  12 o 0.1017000      0.3916000     394.2719      -172.2 
1 1 1 13 1  13 o 6.741000       0.5376000     517.8539      -76.2  
1 1 1 13 1  14 o 1.543000       0.4500000     176.5732      117.6  
1 1 1 13 1  15 o 0.9504000      0.4675000     67.63968      -70.4  
1 1 1 13 1  16 o 1.703000       0.4992000     75.83147      162.8  
1 1 1 13 1  17 o 1.967000       0.5403000     246.5533      -20.0  
1 1 1 13 1  18 o 0.3068000      0.5533000     169.7108      -134.9 
1 1 1 13 1  19 o 1.257000       0.6020000     266.0558      43.5   
1 1 1 13 1  20 o 2.490000       0.6557000     112.7364      104.2  
1 1 1 13 1  21 o 7.111000       0.7251000     313.9235      140.3  
1 1 1 13 1  22 o 9.820000       0.8024000     231.1276      -93.4  
1 1 1 13 1  23 o 7.694000       0.8323000     280.3169      42.0   
1 1 1 13 1  24 o 2.895000       0.8603000     454.3034      58.9   
1 1 1 13 1  25 o 5.795000       0.9440000     535.2104      165.0  
1 1 1 13 1  26 o 9.565000       1.034000      293.7065      149.9  
1 1 1 13 1  27 o 10.54000       1.187000      189.6880      -6.6   
1 1 1 13 1  28 o 2.334000       1.190000      234.1240      153.6  
1 1 1 13 1  29 o 0.9497000      1.764000      176.8658      -15.4  
1 1 1 13 1  30 o 4.014000       2.501000      112.9718      47.2   
1 1 1 13 1  31 o 1.474000       2.242000      160.3750      -28.4  
1 1 1 13 1  32 o 7.407000       1.416000      338.4623      -33.9  
1 1 1 13 1  33 o 6.060000       1.267000      365.0520      123.2  
1 1 1 13 1  34 o 6.838000       1.219000      264.3482      125.3  
1 1 1 13 1  35 o 4.712000       1.146000      242.3070      -104.5 
1 1 1 13 1  36 o 6.452000       1.140000      237.0225      74.7   
1 1 1 13 1  37 o 6.127000       1.107000      125.7298      -131.9 
1 1 1 13 1  38 f 3.797000       1.069000      399.9313      90.4   
1 1 1 13 1  39 o 0.7706000      1.051000      104.4007      49.6   
1 1 1 13 1  40 o 3.030000       1.134000      117.1577      -5.0   
1 1 1 13 1  41 o 0.9676000      1.123000      91.25073      -93.9  
1 1 1 13 1  42 o 1.342000       1.068000      209.8516      88.5   
1 1 1 13 1  43 o -1.119000      1.156000      178.6082      -154.7 
1 1 1 13 1  44 o 2.048000       1.104000      144.4678      128.9  
1 1 1 13 1  45 o -0.6709000     1.340000      66.40586      104.6  
1 1 1 13 1  46 o 0.8226000      1.336000      141.3544      -119.8 
1 1 1 13 1  47 o -1.464000      1.828000      79.83845      16.1   
1 1 1 13 1  48 o 0.1813000      2.453000      142.8628      -98.6  
1 1 1 13 1  49 o 6.661000       2.319000      305.1639      -142.0 
1 1 1 13 1  50 o 0.2785000      1.495000      169.0855      -58.4  
1 1 1 13 1  51 o 1.497000       1.238000      156.8570      33.8   
1 1 1 13 1  52 o 1.973000       1.319000      92.44296      -179.5 
1 1 1 13 1  53 o 0.5949000      1.349000      119.0108      -46.4  
1 1 1 13 1  54 o -0.5235000     1.307000      60.63652      124.7  
1 1 1 13 1  55 o 2.542000       1.353000      128.4302      167.5  
1 1 1 13 1  56 o 4.507000       1.421000      244.2990      74.8   
1 1 1 13 1  57 o 1.398000       1.407000      232.5456      47.3   
1 1 1 13 1  58 o 1.334000       1.397000      155.4920      -102.3 
1 1 1 13 1  59 o 1.118000       1.378000      3.194781      -132.5 
1 1 1 13 1  60 o 3.323000       1.409000      ?             ?      
1 1 1 13 1  61 o 0.8692000E-01  1.392000      ?             ?      
1 1 1 13 1  62 o 3.485000       1.470000      ?             ?      
1 1 1 13 1  63 o 4.985000       2.339000      ?             ?      
1 1 1 13 1  64 o 4.160000       2.300000      ?             ?      
1 1 1 13 1  65 o 0.8459000      1.562000      ?             ?      
1 1 1 13 1  66 o -1.930000      1.323000      ?             ?      
1 1 1 13 1  67 o 2.140000       1.341000      ?             ?      
1 1 1 13 1  68 o -0.4707000     1.319000      ?             ?      
1 1 1 13 1  69 o -2.024000      1.316000      ?             ?      
1 1 1 13 1  70 o -1.230000      1.313000      ?             ?      
1 1 1 13 1  71 o 0.2391000      1.320000      ?             ?      
1 1 1 13 1  72 o 0.6658000      1.900000      ?             ?      
1 1 1 13 1  73 o -1.263000      1.347000      ?             ?      
1 1 1 13 1  74 o 2.589000       1.371000      ?             ?      
1 1 1 13 1  75 o 2.213000       2.017000      ?             ?      
1 1 1 13 2  0  o 6.174000       0.4978000     630.5110      -90.0  
1 1 1 13 2  1  o 3.115000       0.3446000     313.7853      -132.7 
1 1 1 13 2  2  o -0.3358000     0.2825000     255.6334      148.2  
1 1 1 13 2  3  o 4.264000       0.3065000     231.6944      177.9  
1 1 1 13 2  4  o 2.130000       0.2850000     242.4271      -7.0   
1 1 1 13 2  5  o 1.023000       0.2807000     242.6045      33.6   
1 1 1 13 2  6  o 6.916000       0.3477000     620.5118      -39.6  
1 1 1 13 2  7  o 1.693000       0.3075000     238.5371      81.0   
1 1 1 13 2  8  o 0.2793000      0.3111000     121.3339      51.8   
1 1 1 13 2  9  o 3.470000       0.3489000     544.7101      -80.0  
1 1 1 13 2  10 o 12.59000       0.5283000     511.2014      -111.0 
1 1 1 13 2  11 o 0.2351000      0.3703000     474.0718      -40.8  
1 1 1 13 2  12 o 1.087000       0.3907000     245.3037      14.3   
1 1 1 13 2  13 o 1.586000       0.4239000     253.7531      72.1   
1 1 1 13 2  14 o 4.284000       0.4629000     407.1790      -27.6  
1 1 1 13 2  15 o 8.425000       0.5931000     502.8696      -124.6 
1 1 1 13 2  16 o 15.02000       0.6832000     903.2988      43.5   
1 1 1 13 2  17 o 6.370000       0.5648000     390.3096      -53.5  
1 1 1 13 2  18 o 14.78000       0.7457000     615.2510      100.3  
1 1 1 13 2  19 o 3.611000       0.6241000     363.7082      -163.0 
1 1 1 13 2  20 o 14.79000       0.7625000     546.1613      -37.7  
1 1 1 13 2  21 o 12.05000       0.7785000     490.5327      98.6   
1 1 1 13 2  22 o 19.08000       0.9059000     709.7896      128.7  
1 1 1 13 2  23 o 11.36000       0.8715000     523.4376      -169.4 
1 1 1 13 2  24 o 3.404000       0.8778000     514.5831      -105.9 
1 1 1 13 2  25 o 27.49000       1.155000      673.7925      173.7  
1 1 1 13 2  26 o 9.668000       1.046000      135.6293      116.1  
1 1 1 13 2  27 o 1.380000       1.119000      305.9397      -10.1  
1 1 1 13 2  28 o 50.48000       2.079000      724.1952      -104.5 
1 1 1 13 2  29 o 10.81000       1.887000      493.8963      -133.8 
1 1 1 13 2  30 o 3.703000       2.188000      420.0782      143.1  
1 1 1 13 2  31 o 13.59000       1.771000      372.6728      -2.9   
1 1 1 13 2  32 o 9.358000       1.439000      321.4890      -142.7 
1 1 1 13 2  33 o 9.968000       1.306000      420.9120      -134.3 
1 1 1 13 2  34 o 5.818000       1.186000      506.9567      26.1   
1 1 1 13 2  35 o 2.232000       1.129000      262.5856      -102.2 
1 1 1 13 2  36 o 2.234000       1.114000      160.7299      -175.7 
1 1 1 13 2  37 o 2.574000       1.194000      318.8246      109.3  
1 1 1 13 2  38 o 8.668000       1.213000      196.6284      -93.8  
1 1 1 13 2  39 o 4.532000       1.089000      448.2820      107.7  
1 1 1 13 2  40 o -0.3857000     1.150000      112.6571      -53.6  
1 1 1 13 2  41 o 1.291000       1.161000      61.83535      -56.0  
1 1 1 13 2  42 o 4.885000       1.178000      148.9386      78.4   
1 1 1 13 2  43 o 1.838000       1.158000      98.07988      -41.1  
1 1 1 13 2  44 o 2.693000       1.084000      184.0713      -135.1 
1 1 1 13 2  45 o 0.5269000      1.156000      106.9584      -24.1  
1 1 1 13 2  46 o 2.801000       1.264000      239.8251      -10.1  
1 1 1 13 2  47 o 7.606000       1.614000      396.2447      61.7   
1 1 1 13 2  48 o 2.878000       1.502000      166.6334      -80.4  
1 1 1 13 2  49 o 12.41000       1.706000      457.5246      127.8  
1 1 1 13 2  50 o 6.009000       1.548000      240.5349      -32.6  
1 1 1 13 2  51 o 0.3938000      1.244000      137.8011      -97.9  
1 1 1 13 2  52 o 1.891000       1.373000      192.2248      47.3   
1 1 1 13 2  53 o 3.044000       1.401000      203.6665      87.0   
1 1 1 13 2  54 o 0.8464000      1.372000      101.0449      -136.0 
1 1 1 13 2  55 o 0.5492000      1.433000      52.90604      45.5   
1 1 1 13 2  56 o 6.142000       1.415000      421.0341      66.2   
1 1 1 13 2  57 o 4.318000       1.419000      183.2998      -78.5  
1 1 1 13 2  58 o 1.385000       1.401000      178.2711      103.3  
1 1 1 13 2  59 o 7.209000       1.435000      266.9290      7.9    
1 1 1 13 2  60 o 4.188000       1.415000      ?             ?      
1 1 1 13 2  61 o 0.3127000      1.408000      ?             ?      
1 1 1 13 2  62 o 0.9560000      1.587000      ?             ?      
1 1 1 13 2  63 o 1.361000       2.248000      ?             ?      
1 1 1 13 2  64 o -3.432000      2.234000      ?             ?      
1 1 1 13 2  65 o 2.067000       1.782000      ?             ?      
1 1 1 13 2  66 o 3.100000       1.466000      ?             ?      
1 1 1 13 2  67 o 2.033000       1.347000      ?             ?      
1 1 1 13 2  68 o 0.5328000      1.333000      ?             ?      
1 1 1 13 2  69 o 2.848000       1.362000      ?             ?      
1 1 1 13 2  70 o -1.475000      1.327000      ?             ?      
1 1 1 13 2  71 o 0.2315000      1.356000      ?             ?      
1 1 1 13 2  72 o -0.1649000     1.362000      ?             ?      
1 1 1 13 2  73 o -2.797000      1.365000      ?             ?      
1 1 1 13 2  74 o 1.574000       1.393000      ?             ?      
1 1 1 13 2  75 o 0.2371000      1.533000      ?             ?      
1 1 1 13 3  0  o 6.929000       0.5226000     354.7311      -90.0  
1 1 1 13 3  1  o 2.818000       0.3041000     269.2387      7.5    
1 1 1 13 3  2  o 20.19000       0.6591000     902.2826      -113.4 
1 1 1 13 3  3  o 10.14000       0.3966000     502.1578      48.8   
1 1 1 13 3  4  o 6.513000       0.3313000     469.8879      113.0  
1 1 1 13 3  5  o 2.644000       0.2934000     246.0734      -49.3  
1 1 1 13 3  6  o 4.347000       0.3187000     501.5736      -134.6 
1 1 1 13 3  7  o 52.70000       1.289000      1162.986      -16.8  
1 1 1 13 3  8  o 28.21000       0.7682000     948.4780      -106.2 
1 1 1 13 3  9  o 2.130000       0.3370000     253.4890      -111.9 
1 1 1 13 3  10 o 8.701000       0.5010000     501.9554      -7.1   
1 1 1 13 3  11 o 10.22000       0.5564000     404.1019      2.8    
1 1 1 13 3  12 o 3.036000       0.4040000     460.0188      -131.2 
1 1 1 13 3  13 o 7.833000       0.4733000     248.6554      74.8   
1 1 1 13 3  14 o 0.6937000      0.4430000     193.5644      76.1   
1 1 1 13 3  15 o 43.73000       1.159000      1041.615      92.6   
1 1 1 13 3  16 o 15.53000       0.6504000     452.0306      7.1    
1 1 1 13 3  17 o 8.048000       0.5820000     783.3209      148.4  
1 1 1 13 3  18 o 21.28000       0.7730000     959.5297      -52.0  
1 1 1 13 3  19 o -0.9861000E-02 0.6035000     130.6163      125.6  
1 1 1 13 3  20 o 0.5459000      0.6587000     204.4410      -0.7   
1 1 1 13 3  21 o 25.62000       0.9415000     837.6582      -89.7  
1 1 1 13 3  22 o 10.02000       0.8052000     281.9856      17.8   
1 1 1 13 3  23 o 9.709000       0.8565000     339.9861      77.2   
1 1 1 13 3  24 o 58.01000       1.569000      1252.449      -149.8 
1 1 1 13 3  25 o 45.48000       1.408000      1052.731      -142.8 
1 1 1 13 3  26 o 48.65000       1.505000      825.2568      160.0  
1 1 1 13 3  27 o 39.66000       1.530000      1032.190      32.3   
1 1 1 13 3  28 o 4.122000       1.423000      363.0755      -54.6  
1 1 1 13 3  29 o 5.487000       1.421000      404.5094      -90.1  
1 1 1 13 3  30 o 4.204000       1.441000      341.7189      51.8   
1 1 1 13 3  31 o 13.43000       1.658000      631.1320      -113.7 
1 1 1 13 3  32 o 12.95000       1.729000      527.6154      -92.7  
1 1 1 13 3  33 o 25.15000       1.510000      802.2587      44.6   
1 1 1 13 3  34 o 8.082000       1.181000      220.2387      11.4   
1 1 1 13 3  35 o 3.339000       1.225000      148.7643      98.8   
1 1 1 13 3  36 o 14.53000       1.289000      421.9098      81.2   
1 1 1 13 3  37 o 2.986000       1.101000      386.9372      -122.4 
1 1 1 13 3  38 o 6.943000       1.215000      119.9851      -164.6 
1 1 1 13 3  39 o 3.968000       1.100000      201.7505      38.9   
1 1 1 13 3  40 o 4.220000       1.152000      48.18005      -135.9 
1 1 1 13 3  41 o 8.565000       1.191000      506.7153      -71.5  
1 1 1 13 3  42 o 0.6210000      1.135000      157.3825      93.4   
1 1 1 13 3  43 o 5.528000       1.170000      254.2675      -84.7  
1 1 1 13 3  44 o 2.235000       1.080000      164.1962      -148.7 
1 1 1 13 3  45 o 5.004000       1.113000      214.7391      -109.3 
1 1 1 13 3  46 o 2.564000       1.282000      253.1557      -50.2  
1 1 1 13 3  47 o -1.236000      1.409000      120.5315      -99.5  
1 1 1 13 3  48 o 7.161000       1.365000      558.9200      -111.5 
1 1 1 13 3  49 o 7.539000       1.713000      251.0655      -84.7  
1 1 1 13 3  50 o 7.012000       2.213000      187.9765      135.6  
1 1 1 13 3  51 o 3.482000       1.351000      262.1216      44.7   
1 1 1 13 3  52 o 14.90000       1.486000      534.3161      -125.2 
1 1 1 13 3  53 o 10.15000       1.443000      406.4043      -100.3 
1 1 1 13 3  54 o 0.9417000      1.417000      99.02288      153.6  
1 1 1 13 3  55 o 5.946000       1.482000      242.6417      84.6   
1 1 1 13 3  56 o 1.135000       1.395000      220.8860      87.9   
1 1 1 13 3  57 o -1.698000      1.702000      200.0047      -105.8 
1 1 1 13 3  58 o 2.469000       1.417000      153.7102      22.9   
1 1 1 13 3  59 o 0.2618000      1.386000      123.9242      -76.7  
1 1 1 13 3  60 o 6.490000       1.437000      ?             ?      
1 1 1 13 3  61 o 5.227000       1.521000      ?             ?      
1 1 1 13 3  62 o 4.307000       1.815000      ?             ?      
1 1 1 13 3  63 o -0.7554000E-01 1.583000      ?             ?      
1 1 1 13 3  64 o 2.226000       1.472000      ?             ?      
1 1 1 13 3  65 o 4.206000       1.709000      ?             ?      
1 1 1 13 3  66 o 5.127000       1.487000      ?             ?      
1 1 1 13 3  67 o -0.4354000     1.328000      ?             ?      
1 1 1 13 3  68 o 3.007000       1.334000      ?             ?      
1 1 1 13 3  69 o 1.746000       1.352000      ?             ?      
1 1 1 13 3  70 o 3.795000       1.375000      ?             ?      
1 1 1 13 3  71 o 2.720000       1.356000      ?             ?      
1 1 1 13 3  72 o 3.585000       1.389000      ?             ?      
1 1 1 13 3  73 o 1.729000       1.382000      ?             ?      
1 1 1 13 3  74 o 0.8547000      1.390000      ?             ?      
1 1 1 13 3  75 o 2.241000       1.564000      ?             ?      
1 1 1 13 4  0  o 3.735000       0.6316000     349.5481      90.0   
1 1 1 13 4  1  o 16.06000       0.5261000     721.0734      64.9   
1 1 1 13 4  2  o 18.71000       0.5249000     580.9228      74.3   
1 1 1 13 4  3  o 16.31000       0.5273000     437.1862      128.4  
1 1 1 13 4  4  o 28.04000       0.7439000     1078.364      16.6   
1 1 1 13 4  5  o 7.638000       0.3528000     548.4714      -78.8  
1 1 1 13 4  6  o 3.932000       0.3177000     669.4476      111.1  
1 1 1 13 4  7  o 4.699000       0.3460000     266.9033      -46.4  
1 1 1 13 4  8  o 7.922000       0.3836000     349.2226      91.1   
1 1 1 13 4  9  o 11.24000       0.5031000     569.8139      113.5  
1 1 1 13 4  10 o 1.109000       0.3511000     83.72785      0.2    
1 1 1 13 4  11 o 23.79000       0.7445000     992.7308      95.1   
1 1 1 13 4  12 o 15.62000       0.6833000     601.5347      -84.4  
1 1 1 13 4  13 o 2.174000       0.4262000     438.4463      -147.2 
1 1 1 13 4  14 o 8.255000       0.5095000     229.2567      147.1  
1 1 1 13 4  15 o 51.40000       1.327000      1447.759      98.6   
1 1 1 13 4  16 o 12.10000       0.6133000     467.9962      53.3   
1 1 1 13 4  17 o 2.372000       0.5487000     356.7511      6.8    
1 1 1 13 4  18 o 2.306000       0.5857000     138.2695      -92.0  
1 1 1 13 4  19 o 8.158000       0.6666000     360.1853      32.0   
1 1 1 13 4  20 o 104.8000       2.271000      1257.607      30.0   
1 1 1 13 4  21 o 13.03000       0.8618000     488.6320      -10.0  
1 1 1 13 4  22 o 12.86000       0.8388000     487.2951      87.2   
1 1 1 13 4  23 o 44.62000       1.314000      1163.040      98.5   
1 1 1 13 4  24 o 9.919000       0.9286000     536.8631      -30.6  
1 1 1 13 4  25 o 31.10000       1.202000      1019.636      -174.1 
1 1 1 13 4  26 o 17.08000       1.177000      467.3851      -157.5 
1 1 1 13 4  27 o 8.382000       1.238000      585.6454      -105.1 
1 1 1 13 4  28 o 108.1000       3.335000      1498.352      -144.5 
1 1 1 13 4  29 o 44.82000       1.836000      924.4768      140.4  
1 1 1 13 4  30 o 71.71000       2.344000      1242.948      59.8   
1 1 1 13 4  31 o 3.718000       1.655000      320.3569      94.2   
1 1 1 13 4  32 o 90.22000       3.045000      1201.073      116.4  
1 1 1 13 4  33 o 22.19000       1.445000      683.0052      143.0  
1 1 1 13 4  34 o 14.63000       1.215000      717.1583      -159.5 
1 1 1 13 4  35 o 20.34000       1.358000      650.3120      164.1  
1 1 1 13 4  36 o 26.95000       1.433000      654.3135      -92.2  
1 1 1 13 4  37 o 24.59000       1.384000      678.0824      160.8  
1 1 1 13 4  38 o 17.98000       1.298000      340.3828      138.0  
1 1 1 13 4  39 o 16.90000       1.195000      673.9420      101.8  
1 1 1 13 4  40 o 0.5029000      1.122000      137.5237      -68.8  
1 1 1 13 4  41 o 8.272000       1.265000      338.5662      170.2  
1 1 1 13 4  42 o 34.28000       1.397000      899.3591      118.3  
1 1 1 13 4  43 o 33.50000       1.386000      836.4731      -35.7  
1 1 1 13 4  44 o 11.16000       1.142000      618.6053      -79.9  
1 1 1 13 4  45 o 5.555000       1.165000      268.1018      -22.2  
1 1 1 13 4  46 o 37.42000       1.893000      871.0318      -68.2  
1 1 1 13 4  47 o 5.275000       1.317000      313.0752      -10.2  
1 1 1 13 4  48 o 0.4508000      1.157000      231.7950      -146.2 
1 1 1 13 4  49 o 23.04000       1.507000      832.9996      121.5  
1 1 1 13 4  50 o 12.37000       1.649000      447.8847      -30.4  
1 1 1 13 4  51 o 2.837000       1.361000      200.5961      11.5   
1 1 1 13 4  52 o 5.650000       1.401000      255.7944      1.9    
1 1 1 13 4  53 o 16.79000       1.504000      653.3127      -119.6 
1 1 1 13 4  54 o 3.656000       1.440000      222.9072      20.6   
1 1 1 13 4  55 o 7.263000       1.492000      358.4447      -4.9   
1 1 1 13 4  56 o 5.063000       1.528000      258.3855      168.0  
1 1 1 13 4  57 o 5.829000       1.538000      492.5335      149.0  
1 1 1 13 4  58 o 4.791000       1.429000      254.4438      -166.2 
1 1 1 13 4  59 o 4.293000       1.508000      339.6691      -18.1  
1 1 1 13 4  60 o 11.60000       1.577000      ?             ?      
1 1 1 13 4  61 o 1.772000       1.491000      ?             ?      
1 1 1 13 4  62 o 1.840000       1.722000      ?             ?      
1 1 1 13 4  63 o 2.756000       1.477000      ?             ?      
1 1 1 13 4  64 o 4.169000       1.493000      ?             ?      
1 1 1 13 4  65 o 2.858000       1.800000      ?             ?      
1 1 1 13 4  66 o 3.739000       1.787000      ?             ?      
1 1 1 13 4  67 o -2.403000      1.430000      ?             ?      
1 1 1 13 4  68 o 0.1247000      1.337000      ?             ?      
1 1 1 13 4  69 o 0.2291000      1.336000      ?             ?      
1 1 1 13 4  70 o 8.342000       1.407000      ?             ?      
1 1 1 13 4  71 o 1.353000       1.350000      ?             ?      
1 1 1 13 4  72 o -2.687000      1.354000      ?             ?      
1 1 1 13 4  73 o 0.8804000      1.378000      ?             ?      
1 1 1 13 4  74 o 0.7774000      1.381000      ?             ?      
1 1 1 13 4  75 o -3.875000      2.344000      ?             ?      
1 1 1 13 5  0  o 1.840000       0.4242000     53.94226      90.0   
1 1 1 13 5  1  o 66.52000       1.376000      1263.574      -179.2 
1 1 1 13 5  2  o 5.802000       0.3389000     230.1025      57.1   
1 1 1 13 5  3  o 8.433000       0.3758000     460.0670      34.8   
1 1 1 13 5  4  o 30.11000       0.8774000     690.3489      -169.2 
1 1 1 13 5  5  o 20.88000       0.6004000     689.9223      20.1   
1 1 1 13 5  6  o 0.5318000      0.3012000     129.4518      52.8   
1 1 1 13 5  7  o 12.87000       0.4368000     538.6590      -78.1  
1 1 1 13 5  8  o 34.32000       0.7864000     892.9767      -176.1 
1 1 1 13 5  9  o 93.78000       2.269000      1051.274      -1.4   
1 1 1 13 5  10 o 44.88000       1.120000      1034.714      -51.7  
1 1 1 13 5  11 o 115.6000       2.584000      1720.465      -17.9  
1 1 1 13 5  12 o 91.75000       2.227000      1588.341      -152.5 
1 1 1 13 5  13 o 93.45000       1.959000      1673.107      -9.5   
1 1 1 13 5  14 o 145.9000       2.972000      1594.274      -111.1 
1 1 1 13 5  15 o 10.96000       0.5772000     579.1543      -63.5  
1 1 1 13 5  16 o 64.07000       1.582000      1170.793      -1.5   
1 1 1 13 5  17 o 57.80000       1.358000      1032.497      114.2  
1 1 1 13 5  18 o 186.2000       3.794000      2061.252      71.0   
1 1 1 13 5  19 o 4.660000       0.6483000     214.8860      16.2   
1 1 1 13 5  20 o 24.28000       0.9037000     682.7814      101.5  
1 1 1 13 5  21 o 97.87000       2.174000      1292.604      -36.9  
1 1 1 13 5  22 o 21.59000       0.9515000     594.0659      168.1  
1 1 1 13 5  23 o 108.8000       2.426000      1825.458      -142.9 
1 1 1 13 5  24 o 28.83000       1.150000      909.2881      -154.6 
1 1 1 13 5  25 o 12.62000       1.023000      431.2385      -41.3  
1 1 1 13 5  26 o 117.2000       2.886000      1703.443      -145.0 
1 1 1 13 5  27 o 17.22000       1.454000      472.6438      74.9   
1 1 1 13 5  28 o 155.3000       4.440000      1877.862      -92.3  
1 1 1 13 5  29 o 126.3000       3.193000      1549.328      175.5  
1 1 1 13 5  30 o 4.245000       1.580000      383.9261      -134.8 
1 1 1 13 5  31 o 96.12000       3.177000      1501.347      -147.1 
1 1 1 13 5  32 o 101.0000       3.242000      1510.078      -84.0  
1 1 1 13 5  33 o 25.52000       1.570000      638.7051      -50.3  
1 1 1 13 5  34 o 20.29000       1.487000      709.3560      -149.9 
1 1 1 13 5  35 o 18.30000       1.298000      697.3226      -5.3   
1 1 1 13 5  36 o 43.62000       1.638000      967.1445      -95.9  
1 1 1 13 5  37 o 13.95000       1.182000      453.7120      -46.4  
1 1 1 13 5  38 o 77.68000       2.196000      1514.666      -137.4 
1 1 1 13 5  39 o 12.86000       1.149000      596.1450      14.7   
1 1 1 13 5  40 o 8.406000       1.094000      491.4664      -100.7 
1 1 1 13 5  41 o 27.95000       1.290000      734.7256      -100.2 
1 1 1 13 5  42 o 15.15000       1.148000      519.3611      33.8   
1 1 1 13 5  43 o 5.357000       1.083000      367.8044      -63.8  
1 1 1 13 5  44 o 17.66000       1.200000      710.0204      57.6   
1 1 1 13 5  45 o 13.10000       1.334000      522.1094      30.4   
1 1 1 13 5  46 o 11.88000       1.514000      641.3579      -76.0  
1 1 1 13 5  47 o 60.35000       1.991000      984.8802      -107.8 
1 1 1 13 5  48 o 5.193000       1.159000      463.0260      -148.9 
1 1 1 13 5  49 o 8.169000       1.302000      376.0324      100.1  
1 1 1 13 5  50 o 0.1145000E-01  1.626000      257.0439      -47.3  
1 1 1 13 5  51 f 21.87000       1.894000      572.4468      -1.1   
1 1 1 13 5  52 o 16.31000       1.487000      633.0146      -63.9  
1 1 1 13 5  53 o 8.596000       1.329000      462.3883      144.1  
1 1 1 13 5  54 o 1.505000       1.387000      114.2306      60.0   
1 1 1 13 5  55 o 8.016000       1.471000      477.8388      -154.8 
1 1 1 13 5  56 o 3.473000       1.403000      328.7938      -124.4 
1 1 1 13 5  57 o 1.467000       1.517000      147.3813      -78.3  
1 1 1 13 5  58 o 3.438000       1.434000      359.5977      163.0  
1 1 1 13 5  59 o 19.63000       1.681000      677.1383      -65.1  
1 1 1 13 5  60 o 24.21000       1.827000      ?             ?      
1 1 1 13 5  61 o 11.52000       1.688000      ?             ?      
1 1 1 13 5  62 o 10.16000       2.002000      ?             ?      
1 1 1 13 5  63 o 3.015000       1.469000      ?             ?      
1 1 1 13 5  64 o 4.028000       1.381000      ?             ?      
1 1 1 13 5  65 o 4.040000       1.503000      ?             ?      
1 1 1 13 5  66 o 1.308000       1.681000      ?             ?      
1 1 1 13 5  67 o -0.8314000     1.440000      ?             ?      
1 1 1 13 5  68 o -1.311000      1.329000      ?             ?      
1 1 1 13 5  69 o 8.226000       1.401000      ?             ?      
1 1 1 13 5  70 o 4.558000       1.371000      ?             ?      
1 1 1 13 5  71 o 1.292000       1.363000      ?             ?      
1 1 1 13 5  72 o -0.6812000E-01 1.367000      ?             ?      
1 1 1 13 5  73 o -2.152000      1.378000      ?             ?      
1 1 1 13 5  74 o 0.2705000      1.481000      ?             ?      
1 1 1 13 5  75 f -0.5239000     2.398000      ?             ?      
1 1 1 13 6  0  o 4.451000       0.4825000     167.4483      90.0   
1 1 1 13 6  1  o 19.53000       0.5058000     673.9647      99.8   
1 1 1 13 6  2  o 27.61000       0.6284000     622.9302      43.4   
1 1 1 13 6  3  o 1.361000       0.3224000     408.1765      151.6  
1 1 1 13 6  4  o 24.41000       0.7374000     625.3713      -147.7 
1 1 1 13 6  5  o 37.31000       1.348000      794.3853      60.4   
1 1 1 13 6  6  o 54.82000       1.327000      1714.768      -169.6 
1 1 1 13 6  7  o 5.198000       0.3551000     183.8242      175.5  
1 1 1 13 6  8  o 123.4000       2.380000      1439.671      89.4   
1 1 1 13 6  9  o 66.41000       1.353000      1310.700      83.2   
1 1 1 13 6  10 o 88.34000       1.753000      1480.446      58.0   
1 1 1 13 6  11 o 100.5000       1.988000      1339.263      -35.9  
1 1 1 13 6  12 o 17.03000       0.6194000     688.7405      56.0   
1 1 1 13 6  13 o 97.11000       2.028000      1273.805      18.6   
1 1 1 13 6  14 o 240.5000       4.814000      2338.791      76.3   
1 1 1 13 6  15 o 24.82000       0.7641000     568.3207      154.1  
1 1 1 13 6  16 o 69.07000       1.546000      1537.692      -79.0  
1 1 1 13 6  17 o 6.636000       0.5994000     899.5696      73.7   
1 1 1 13 6  18 o 11.86000       0.6810000     613.7837      -73.8  
1 1 1 13 6  19 o 12.26000       0.8604000     617.1025      158.1  
1 1 1 13 6  20 o 152.4000       3.169000      1709.598      28.6   
1 1 1 13 6  21 o 27.50000       1.044000      866.8168      -52.3  
1 1 1 13 6  22 o 75.01000       1.790000      1386.247      111.2  
1 1 1 13 6  23 o 67.67000       1.687000      1308.614      90.2   
1 1 1 13 6  24 o 49.64000       1.702000      1095.088      -76.4  
1 1 1 13 6  25 o 91.42000       2.343000      1349.276      -132.4 
1 1 1 13 6  26 o 187.5000       4.566000      2077.584      77.3   
1 1 1 13 6  27 o 368.4000       10.49000      2207.839      38.4   
1 1 1 13 6  28 o 307.0000       8.067000      2617.304      -108.4 
1 1 1 13 6  29 o 123.4000       2.874000      1476.231      64.1   
1 1 1 13 6  30 o 86.83000       2.456000      1491.696      23.1   
1 1 1 13 6  31 o 111.5000       3.095000      1612.806      66.3   
1 1 1 13 6  32 o 109.9000       3.386000      1393.414      135.9  
1 1 1 13 6  33 o 48.58000       2.098000      968.3974      -88.8  
1 1 1 13 6  34 o 22.82000       1.376000      659.7183      178.8  
1 1 1 13 6  35 o 11.05000       1.228000      98.62807      -148.2 
1 1 1 13 6  36 o 19.29000       1.296000      441.3097      -10.4  
1 1 1 13 6  37 o 12.94000       1.147000      445.7274      -80.1  
1 1 1 13 6  38 o 51.52000       1.617000      1005.046      156.0  
1 1 1 13 6  39 o 49.85000       1.589000      1157.607      41.8   
1 1 1 13 6  40 o 9.538000       1.105000      581.9536      105.4  
1 1 1 13 6  41 o 62.70000       1.780000      1182.425      173.2  
1 1 1 13 6  42 o 0.9260000      1.039000      307.2781      -155.0 
1 1 1 13 6  43 o 31.28000       1.329000      704.7875      -32.4  
1 1 1 13 6  44 o 2.203000       1.121000      271.0851      -154.0 
1 1 1 13 6  45 o 24.09000       1.602000      572.1262      7.8    
1 1 1 13 6  46 o 6.703000       1.306000      357.6348      -44.3  
1 1 1 13 6  47 o 17.90000       1.280000      434.4417      59.5   
1 1 1 13 6  48 o 5.258000       1.175000      245.8895      41.2   
1 1 1 13 6  49 o 2.580000       1.263000      251.1190      27.4   
1 1 1 13 6  50 o 0.7208000      1.394000      223.2177      -7.3   
1 1 1 13 6  51 o 40.93000       2.102000      956.3648      47.4   
1 1 1 13 6  52 o 14.65000       1.486000      525.3178      -114.8 
1 1 1 13 6  53 o 26.74000       1.519000      691.0202      -41.5  
1 1 1 13 6  54 o 15.82000       1.425000      583.4564      14.7   
1 1 1 13 6  55 o 0.4860000E-01  1.351000      130.1571      -75.0  
1 1 1 13 6  56 o 9.109000       1.445000      493.2195      -119.4 
1 1 1 13 6  57 o 18.45000       1.644000      565.2811      80.9   
1 1 1 13 6  58 o 0.5478000      1.409000      194.7022      138.2  
1 1 1 13 6  59 o 22.28000       1.691000      674.1484      -57.3  
1 1 1 13 6  60 o 12.58000       1.688000      ?             ?      
1 1 1 13 6  61 o 6.404000       1.765000      ?             ?      
1 1 1 13 6  62 o 6.090000       1.599000      ?             ?      
1 1 1 13 6  63 o 5.786000       1.481000      ?             ?      
1 1 1 13 6  64 o 7.458000       1.487000      ?             ?      
1 1 1 13 6  65 o -1.332000      1.458000      ?             ?      
1 1 1 13 6  66 o 0.2051000      1.774000      ?             ?      
1 1 1 13 6  67 o 1.998000       1.763000      ?             ?      
1 1 1 13 6  68 o 8.590000       1.502000      ?             ?      
1 1 1 13 6  69 o 0.8627000E-01  1.343000      ?             ?      
1 1 1 13 6  70 o -1.610000      1.343000      ?             ?      
1 1 1 13 6  71 o 0.3804000      1.362000      ?             ?      
1 1 1 13 6  72 o 0.6476000      1.366000      ?             ?      
1 1 1 13 6  73 o 2.490000       1.387000      ?             ?      
1 1 1 13 6  74 o -0.1956000     1.601000      ?             ?      
1 1 1 13 7  0  o 5.753000       0.4891000     110.1664      90.0   
1 1 1 13 7  1  o 5.169000       0.3801000     324.0883      84.5   
1 1 1 13 7  2  o 9.911000       0.5121000     616.0888      163.3  
1 1 1 13 7  3  o 180.1000       3.483000      1899.989      -163.0 
1 1 1 13 7  4  o 110.1000       2.162000      1324.718      141.9  
1 1 1 13 7  5  o 327.1000       5.809000      2401.099      -33.2  
1 1 1 13 7  6  o 99.93000       2.067000      961.6557      79.0   
1 1 1 13 7  7  o 3.335000       0.4014000     273.2973      -96.2  
1 1 1 13 7  8  o 79.98000       1.699000      970.4492      -113.9 
1 1 1 13 7  9  o 201.8000       3.827000      2208.551      -54.0  
1 1 1 13 7  10 o 200.4000       3.802000      1856.007      30.8   
1 1 1 13 7  11 o 94.01000       1.979000      1425.077      -122.4 
1 1 1 13 7  12 o 110.9000       2.169000      1185.023      -166.5 
1 1 1 13 7  13 o 50.08000       1.277000      849.2799      31.8   
1 1 1 13 7  14 o 198.3000       3.985000      1788.539      -84.5  
1 1 1 13 7  15 o 140.7000       2.886000      1880.792      -61.7  
1 1 1 13 7  16 o 234.6000       4.713000      2438.790      82.5   
1 1 1 13 7  17 o 273.0000       5.464000      2327.951      -3.7   
1 1 1 13 7  18 o 17.84000       0.7544000     675.8870      -156.7 
1 1 1 13 7  19 o 48.50000       1.248000      856.9990      21.2   
1 1 1 13 7  20 o 248.9000       5.031000      2298.895      15.6   
1 1 1 13 7  21 o 47.17000       1.297000      1127.455      -116.2 
1 1 1 13 7  22 o 100.8000       2.259000      1323.546      115.8  
1 1 1 13 7  23 o 180.4000       3.765000      1312.411      96.7   
1 1 1 13 7  24 o 42.81000       1.348000      787.7640      165.5  
1 1 1 13 7  25 o 208.8000       5.600000      2149.260      -148.9 
1 1 1 13 7  26 o 67.42000       3.003000      1079.442      132.2  
1 1 1 13 7  27 o 84.41000       2.475000      869.3883      -85.7  
1 1 1 13 7  28 o 38.22000       1.928000      802.1066      -145.1 
1 1 1 13 7  29 o 116.7000       2.987000      1423.904      -170.0 
1 1 1 13 7  30 o 9.449000       1.358000      409.4375      71.5   
1 1 1 13 7  31 o 87.17000       2.566000      1384.258      -145.2 
1 1 1 13 7  32 o 31.28000       1.585000      640.8657      -148.2 
1 1 1 13 7  33 o 16.15000       1.609000      745.6861      164.8  
1 1 1 13 7  34 o 52.29000       1.934000      955.4139      -105.6 
1 1 1 13 7  35 o 12.21000       1.252000      432.2267      -47.5  
1 1 1 13 7  36 o 127.3000       2.891000      1712.864      -46.1  
1 1 1 13 7  37 o 13.42000       1.137000      530.1132      118.9  
1 1 1 13 7  38 o 31.00000       1.324000      900.9385      37.4   
1 1 1 13 7  39 o 9.697000       1.105000      320.7020      -17.8  
1 1 1 13 7  40 o 55.58000       1.683000      660.8825      -157.2 
1 1 1 13 7  41 o 5.771000       1.059000      356.2005      -86.4  
1 1 1 13 7  42 o 1.636000       1.037000      62.10197      -19.1  
1 1 1 13 7  43 o 31.16000       1.329000      945.4043      144.0  
1 1 1 13 7  44 o 17.52000       1.326000      515.7990      50.3   
1 1 1 13 7  45 o 16.40000       1.485000      516.5051      -157.0 
1 1 1 13 7  46 o 25.31000       1.416000      623.0600      170.9  
1 1 1 13 7  47 o 69.84000       2.009000      1319.663      174.4  
1 1 1 13 7  48 o 46.88000       1.657000      1019.792      14.6   
1 1 1 13 7  49 o 11.42000       1.254000      350.9254      136.9  
1 1 1 13 7  50 o 22.02000       1.500000      692.5513      -91.6  
1 1 1 13 7  51 o 23.11000       1.858000      558.2441      32.5   
1 1 1 13 7  52 o 31.30000       1.827000      910.4555      128.9  
1 1 1 13 7  53 o 41.93000       1.835000      929.1681      147.0  
1 1 1 13 7  54 o 5.833000       1.357000      321.5993      -64.4  
1 1 1 13 7  55 o 1.118000       1.368000      109.6815      148.0  
1 1 1 13 7  56 o 9.221000       1.436000      345.5542      42.6   
1 1 1 13 7  57 o 11.47000       1.457000      468.8852      -26.7  
1 1 1 13 7  58 o 18.39000       1.525000      506.0031      145.1  
1 1 1 13 7  59 o 10.75000       1.545000      509.9566      -73.0  
1 1 1 13 7  60 o 3.499000       1.715000      ?             ?      
1 1 1 13 7  61 o 10.01000       1.827000      ?             ?      
1 1 1 13 7  62 o 5.189000       1.586000      ?             ?      
1 1 1 13 7  63 o 5.320000       1.506000      ?             ?      
1 1 1 13 7  64 o 5.917000       1.482000      ?             ?      
1 1 1 13 7  65 o 2.823000       1.471000      ?             ?      
1 1 1 13 7  66 o 6.390000       1.582000      ?             ?      
1 1 1 13 7  67 o 2.748000       1.700000      ?             ?      
1 1 1 13 7  68 o -0.2746000     1.442000      ?             ?      
1 1 1 13 7  69 o 4.093000       1.342000      ?             ?      
1 1 1 13 7  70 o 1.739000       1.347000      ?             ?      
1 1 1 13 7  72 o 2.473000       1.394000      ?             ?      
1 1 1 13 7  73 o 1.033000       1.487000      ?             ?      
1 1 1 13 7  74 o 6.470000       1.786000      ?             ?      
1 1 1 13 8  0  o 3.087000       0.4442000     103.7579      90.0   
1 1 1 13 8  1  o 42.23000       0.8629000     887.1851      -128.1 
1 1 1 13 8  2  o 21.24000       0.8201000     870.5110      -142.3 
1 1 1 13 8  3  o 17.90000       0.5705000     660.3866      -175.4 
1 1 1 13 8  4  o 145.2000       2.639000      1903.919      28.5   
1 1 1 13 8  5  o 75.53000       1.521000      1185.318      121.8  
1 1 1 13 8  6  o 30.11000       0.7785000     581.2701      -36.2  
1 1 1 13 8  7  o 1.910000       0.4095000     282.3732      -17.7  
1 1 1 13 8  8  o 91.22000       1.916000      1362.893      -0.3   
1 1 1 13 8  9  o 37.72000       1.117000      979.1576      -23.1  
1 1 1 13 8  10 o 118.9000       2.432000      1459.275      17.7   
1 1 1 13 8  11 o 31.62000       0.8329000     1224.591      172.2  
1 1 1 13 8  12 o 115.4000       2.373000      1390.128      30.3   
1 1 1 13 8  13 o 33.72000       0.9077000     631.2525      6.7    
1 1 1 13 8  14 o 73.87000       1.616000      990.9028      3.1    
1 1 1 13 8  15 o 241.9000       4.845000      1966.758      -38.1  
1 1 1 13 8  16 o 245.8000       4.932000      1950.230      19.1   
1 1 1 13 8  17 o 105.9000       2.265000      1085.553      -112.3 
1 1 1 13 8  18 o 72.47000       1.820000      1014.584      -95.1  
1 1 1 13 8  19 o 74.74000       1.881000      1207.276      175.0  
1 1 1 13 8  20 o 602.8000       11.91000      3848.724      109.8  
1 1 1 13 8  21 o 91.38000       2.236000      1639.292      138.4  
1 1 1 13 8  22 o 485.8000       10.42000      2472.229      -114.9 
1 1 1 13 8  23 o 129.6000       3.065000      1920.430      143.8  
1 1 1 13 8  24 o 58.48000       1.618000      1197.024      -111.8 
1 1 1 13 8  25 o 71.73000       2.396000      783.0900      139.6  
1 1 1 13 8  26 o 131.2000       5.033000      1628.578      34.2   
1 1 1 13 8  27 o 99.28000       3.078000      1415.496      -44.5  
1 1 1 13 8  28 o 624.7000       13.40000      3507.554      -72.9  
1 1 1 13 8  29 o 48.39000       1.669000      1456.877      106.0  
1 1 1 13 8  30 o 305.6000       6.769000      2787.791      15.6   
1 1 1 13 8  31 o 97.88000       2.581000      1363.349      -163.9 
1 1 1 13 8  32 o 25.01000       1.372000      765.2035      -58.9  
1 1 1 13 8  33 o 24.36000       1.699000      869.9720      -44.7  
1 1 1 13 8  34 o 163.0000       4.583000      1544.667      -149.6 
1 1 1 13 8  35 o 183.8000       4.239000      2066.386      23.3   
1 1 1 13 8  36 o 148.1000       3.270000      1639.489      176.0  
1 1 1 13 8  37 o 19.93000       1.185000      598.6150      138.3  
1 1 1 13 8  38 o 110.9000       2.601000      1385.996      156.9  
1 1 1 13 8  39 o 78.17000       2.038000      1346.712      84.4   
1 1 1 13 8  40 o 11.32000       1.101000      381.8441      -93.4  
1 1 1 13 8  41 o 19.70000       1.180000      757.3211      134.6  
1 1 1 13 8  42 o 20.26000       1.185000      619.8370      -119.5 
1 1 1 13 8  43 o -1.271000      1.087000      140.0055      61.7   
1 1 1 13 8  44 o 18.54000       1.467000      730.9911      -55.7  
1 1 1 13 8  45 o 15.25000       1.340000      478.4956      -130.5 
1 1 1 13 8  46 o 20.23000       1.289000      655.6127      -154.3 
1 1 1 13 8  47 o 55.87000       1.925000      1253.818      78.2   
1 1 1 13 8  48 o 43.38000       1.592000      986.3621      -51.5  
1 1 1 13 8  49 o 67.36000       1.997000      1192.224      39.6   
1 1 1 13 8  50 o 19.70000       1.482000      553.2664      -120.8 
1 1 1 13 8  51 o 9.930000       1.519000      344.9297      -13.4  
1 1 1 13 8  52 o 2.174000       1.704000      249.8486      167.0  
1 1 1 13 8  53 o 17.19000       1.550000      560.3118      -72.2  
1 1 1 13 8  54 f 5.451000       1.369000      323.6340      107.3  
1 1 1 13 8  55 o 59.12000       2.016000      ?             ?      
1 1 1 13 8  56 o 9.114000       1.431000      485.6236      59.5   
1 1 1 13 8  57 o 9.147000       1.440000      435.3588      77.0   
1 1 1 13 8  58 o 8.181000       1.428000      402.9233      51.2   
1 1 1 13 8  59 o 13.03000       1.562000      ?             ?      
1 1 1 13 8  60 o -0.2567000E-02 1.731000      ?             ?      
1 1 1 13 8  61 o 4.736000       1.556000      ?             ?      
1 1 1 13 8  62 o 8.168000       1.502000      ?             ?      
1 1 1 13 8  63 o 10.07000       1.567000      ?             ?      
1 1 1 13 8  64 o 2.206000       1.447000      ?             ?      
1 1 1 13 8  65 o 4.274000       1.363000      ?             ?      
1 1 1 13 8  66 o 2.210000       1.646000      ?             ?      
1 1 1 13 8  67 o 0.6851000      1.756000      ?             ?      
1 1 1 13 8  68 o 11.27000       1.830000      ?             ?      
1 1 1 13 8  69 o -0.8801000     1.419000      ?             ?      
1 1 1 13 8  70 o 0.2805000      1.340000      ?             ?      
1 1 1 13 8  71 o 1.545000       1.359000      ?             ?      
1 1 1 13 8  72 o -0.8275000     1.368000      ?             ?      
1 1 1 13 8  73 o -0.3930000     1.558000      ?             ?      
1 1 1 13 8  74 o -0.8642000E-01 1.750000      ?             ?      
1 1 1 13 9  0  o 168.6000       5.642000      1124.159      -90.0  
1 1 1 13 9  1  o 656.1000       13.93000      3624.262      -108.1 
1 1 1 13 9  2  o 53.07000       1.085000      1070.138      -156.3 
1 1 1 13 9  3  o 218.6000       4.135000      1757.905      81.3   
1 1 1 13 9  4  o 58.26000       1.159000      1102.594      146.8  
1 1 1 13 9  5  o 283.7000       5.363000      1931.108      33.5   
1 1 1 13 9  6  o 57.26000       1.414000      951.6304      62.1   
1 1 1 13 9  7  o 1.985000       0.4325000     388.9582      85.4   
1 1 1 13 9  8  o 99.21000       2.207000      1497.372      -110.6 
1 1 1 13 9  9  o 196.8000       4.255000      1604.047      43.2   
1 1 1 13 9  10 o 133.8000       2.801000      1761.384      1.6    
1 1 1 13 9  11 o 158.2000       3.200000      2095.781      -154.6 
1 1 1 13 9  12 o 13.17000       0.5331000     621.0952      94.9   
1 1 1 13 9  13 o 212.9000       4.065000      1732.247      26.4   
1 1 1 13 9  14 o 9.441000       0.5564000     456.5724      -50.8  
1 1 1 13 9  15 o 378.8000       7.511000      2776.330      92.5   
1 1 1 13 9  16 o 114.2000       2.632000      1401.827      48.6   
1 1 1 13 9  17 o 1042.000       20.46000      ?             ?      
1 1 1 13 9  18 o 229.0000       4.628000      2352.765      -132.7 
1 1 1 13 9  19 o 33.63000       1.051000      1124.906      157.9  
1 1 1 13 9  20 o 372.3000       8.019000      2220.527      -63.0  
1 1 1 13 9  21 o 89.95000       2.242000      1570.047      171.1  
1 1 1 13 9  22 o 12.08000       0.9940000     441.9263      -126.0 
1 1 1 13 9  23 o 11.92000       1.065000      483.8801      -27.0  
1 1 1 13 9  24 o 349.2000       9.042000      2580.759      -117.1 
1 1 1 13 9  25 o 43.67000       1.947000      1143.697      83.7   
1 1 1 13 9  26 o 39.42000       1.806000      904.8438      93.4   
1 1 1 13 9  27 o 142.2000       3.458000      1671.170      -25.4  
1 1 1 13 9  28 o 161.6000       3.832000      1574.981      65.6   
1 1 1 13 9  29 o 497.6000       10.75000      3190.964      29.0   
1 1 1 13 9  30 o 42.16000       1.505000      883.5996      3.8    
1 1 1 13 9  31 o 244.8000       5.076000      2151.954      135.8  
1 1 1 13 9  32 o 22.60000       1.329000      381.5994      93.6   
1 1 1 13 9  33 o 12.63000       1.309000      527.5109      -29.0  
1 1 1 13 9  34 o 102.2000       3.022000      1227.620      -45.0  
1 1 1 13 9  35 o 116.8000       3.133000      1548.856      -48.5  
1 1 1 13 9  36 o 29.25000       1.386000      951.1167      169.1  
1 1 1 13 9  37 o 23.46000       1.211000      899.2368      -173.6 
1 1 1 13 9  38 o 12.16000       1.109000      580.2139      -36.2  
1 1 1 13 9  39 o 71.32000       1.923000      1437.398      -138.8 
1 1 1 13 9  40 o 39.12000       1.415000      1022.962      174.7  
1 1 1 13 9  41 o 65.61000       1.832000      1075.815      -28.7  
1 1 1 13 9  42 o 40.37000       1.452000      1004.738      109.1  
1 1 1 13 9  43 o 12.82000       1.235000      324.8488      62.8   
1 1 1 13 9  44 o 23.48000       1.566000      834.4422      -62.8  
1 1 1 13 9  45 o 42.10000       1.725000      1010.642      132.4  
1 1 1 13 9  46 o 98.45000       2.457000      1394.011      161.8  
1 1 1 13 9  47 o 10.66000       1.175000      541.9474      135.8  
1 1 1 13 9  48 o 2.675000       1.162000      108.5369      -24.1  
1 1 1 13 9  49 o 15.17000       1.284000      585.4954      -27.4  
1 1 1 13 9  50 o 28.76000       1.461000      845.4724      140.3  
1 1 1 13 9  51 o 23.28000       1.536000      670.1873      117.4  
1 1 1 13 9  52 o 42.10000       2.203000      817.5891      165.8  
1 1 1 13 9  53 o 18.53000       1.713000      560.6414      160.4  
1 1 1 13 9  54 o 35.70000       1.810000      991.0953      89.8   
1 1 1 13 9  55 o 16.54000       1.481000      610.5355      98.6   
1 1 1 13 9  56 o 2.079000       1.383000      295.5258      132.7  
1 1 1 13 9  57 o 3.559000       1.401000      319.8230      -113.7 
1 1 1 13 9  58 o 33.49000       1.704000      794.2973      161.2  
1 1 1 13 9  59 o 0.7283000      1.538000      ?             ?      
1 1 1 13 9  60 o 0.2845000      1.715000      ?             ?      
1 1 1 13 9  61 o 2.381000       1.434000      ?             ?      
1 1 1 13 9  62 o 2.251000       1.347000      ?             ?      
1 1 1 13 9  63 o 15.22000       1.547000      ?             ?      
1 1 1 13 9  64 o -0.1181000     1.425000      ?             ?      
1 1 1 13 9  65 o 2.416000       1.343000      ?             ?      
1 1 1 13 9  66 o 6.963000       1.684000      ?             ?      
1 1 1 13 9  67 o 7.891000       1.815000      ?             ?      
1 1 1 13 9  68 o 2.140000       1.767000      ?             ?      
1 1 1 13 9  69 o 2.895000       1.657000      ?             ?      
1 1 1 13 9  70 o 1.549000       1.423000      ?             ?      
1 1 1 13 9  71 o 2.733000       1.456000      ?             ?      
1 1 1 13 9  72 o 3.814000       1.492000      ?             ?      
1 1 1 13 9  73 o -1.456000      1.566000      ?             ?      
1 1 1 13 9  74 o -0.9168000     1.620000      ?             ?      
1 1 1 13 10 0  o 5.578000       0.6147000     255.9079      -90.0  
1 1 1 13 10 1  o 123.7000       2.320000      1392.403      -31.5  
1 1 1 13 10 2  o 142.6000       2.663000      1601.581      19.7   
1 1 1 13 10 3  o 23.56000       0.6098000     623.5132      170.1  
1 1 1 13 10 4  o 123.6000       2.280000      1389.851      -169.1 
1 1 1 13 10 5  o 161.0000       3.082000      1969.507      -172.8 
1 1 1 13 10 6  o 36.82000       0.9908000     965.9038      -139.4 
1 1 1 13 10 7  o 12.87000       0.5513000     769.3794      -67.9  
1 1 1 13 10 8  o 92.05000       2.505000      1409.870      -11.8  
1 1 1 13 10 9  o 28.82000       0.8137000     566.0163      -40.6  
1 1 1 13 10 10 o 81.51000       1.883000      1549.646      147.9  
1 1 1 13 10 11 o 79.85000       2.159000      1392.868      -126.9 
1 1 1 13 10 12 o 25.64000       0.7320000     1013.611      99.8   
1 1 1 13 10 13 o 261.8000       4.959000      2192.796      -124.7 
1 1 1 13 10 14 o 215.5000       4.113000      2174.353      -42.4  
1 1 1 13 10 15 o 55.34000       1.493000      1139.159      61.2   
1 1 1 13 10 16 o 199.1000       4.041000      1854.721      -37.6  
1 1 1 13 10 17 o 358.7000       7.722000      2400.680      -95.3  
1 1 1 13 10 18 o 62.87000       1.670000      1177.535      -157.1 
1 1 1 13 10 19 o 390.5000       7.774000      2560.526      34.8   
1 1 1 13 10 20 o 211.9000       4.681000      1822.017      -150.2 
1 1 1 13 10 21 o 169.9000       3.845000      2096.445      -54.1  
1 1 1 13 10 22 o 403.4000       8.710000      2905.950      -167.4 
1 1 1 13 10 23 o 107.8000       2.648000      1531.177      163.2  
1 1 1 13 10 24 o 5.694000       1.070000      604.9759      -167.1 
1 1 1 13 10 25 o 162.1000       5.798000      1578.133      166.6  
1 1 1 13 10 26 o 89.96000       2.822000      1421.922      -102.4 
1 1 1 13 10 27 o 55.54000       1.695000      697.5364      -91.3  
1 1 1 13 10 28 o 51.53000       1.676000      1102.596      73.7   
1 1 1 13 10 29 o 9.895000       1.187000      321.0471      81.0   
1 1 1 13 10 30 o 9.552000       1.077000      533.4730      28.2   
1 1 1 13 10 31 o 116.9000       2.683000      1512.516      -161.2 
1 1 1 13 10 32 o 33.36000       1.455000      699.4977      35.7   
1 1 1 13 10 33 o 21.77000       1.329000      1096.953      165.6  
1 1 1 13 10 34 o 48.60000       1.985000      1032.839      -108.7 
1 1 1 13 10 35 o 21.64000       1.578000      440.6787      -140.7 
1 1 1 13 10 36 o 23.14000       1.457000      679.3634      140.2  
1 1 1 13 10 37 o 37.24000       1.380000      989.9480      47.0   
1 1 1 13 10 38 o 25.01000       1.222000      816.9241      -41.8  
1 1 1 13 10 39 o 6.921000       1.060000      460.8724      27.2   
1 1 1 13 10 40 o 6.061000       1.048000      159.2938      -57.7  
1 1 1 13 10 41 o 36.47000       1.389000      782.4018      178.7  
1 1 1 13 10 42 o 31.22000       1.405000      1064.548      30.6   
1 1 1 13 10 43 o 33.78000       1.700000      829.1874      168.6  
1 1 1 13 10 44 o 3.348000       1.216000      257.2435      -140.7 
1 1 1 13 10 45 o 36.87000       1.462000      765.4251      -106.8 
1 1 1 13 10 46 o 10.92000       1.176000      540.3520      97.9   
1 1 1 13 10 47 o 3.742000       1.143000      120.0679      169.0  
1 1 1 13 10 48 o 2.754000       1.148000      177.1108      16.4   
1 1 1 13 10 49 o 15.70000       1.292000      645.9680      -81.9  
1 1 1 13 10 50 o 4.156000       1.217000      241.7293      -68.8  
1 1 1 13 10 51 o 13.63000       1.433000      559.2697      -176.2 
1 1 1 13 10 52 o 74.32000       2.556000      ?             ?      
1 1 1 13 10 53 o 69.00000       2.730000      ?             ?      
1 1 1 13 10 54 o 2.141000       1.461000      107.4069      -77.6  
1 1 1 13 10 55 o 12.77000       1.439000      387.8797      45.0   
1 1 1 13 10 56 o 16.41000       1.472000      562.8734      86.6   
1 1 1 13 10 57 o 16.60000       1.501000      630.5604      -109.9 
1 1 1 13 10 58 o 27.36000       1.836000      944.4023      58.9   
1 1 1 13 10 59 o 2.891000       1.713000      ?             ?      
1 1 1 13 10 60 o 36.21000       1.937000      ?             ?      
1 1 1 13 10 61 o 3.001000       1.344000      ?             ?      
1 1 1 13 10 62 o 6.315000       1.369000      ?             ?      
1 1 1 13 10 63 o 4.433000       1.366000      ?             ?      
1 1 1 13 10 64 o 19.05000       1.488000      ?             ?      
1 1 1 13 10 65 o 8.393000       1.390000      ?             ?      
1 1 1 13 10 66 o 6.129000       1.459000      ?             ?      
1 1 1 13 10 67 o 2.913000       1.561000      ?             ?      
1 1 1 13 10 68 o -2.599000      1.729000      ?             ?      
1 1 1 13 10 69 o 1.852000       1.631000      ?             ?      
1 1 1 13 10 70 o 0.4171000      1.439000      ?             ?      
1 1 1 13 10 71 o 1.001000       1.474000      ?             ?      
1 1 1 13 10 72 o 1.169000       1.560000      ?             ?      
1 1 1 13 10 73 o 0.9494000      1.748000      ?             ?      
1 1 1 13 10 74 o 3.022000       1.639000      ?             ?      
1 1 1 13 11 0  o 185.1000       5.223000      1581.976      -90.0  
1 1 1 13 11 1  o 277.4000       5.485000      2068.115      -112.5 
1 1 1 13 11 2  o 73.00000       1.645000      1234.109      84.7   
1 1 1 13 11 3  o 39.89000       0.9716000     977.6470      149.8  
1 1 1 13 11 4  o 4.472000       0.4785000     168.3795      93.9   
1 1 1 13 11 5  o 248.4000       4.697000      2172.838      9.9    
1 1 1 13 11 6  o 166.7000       3.449000      1895.083      -87.2  
1 1 1 13 11 7  o 137.0000       2.816000      1427.866      78.9   
1 1 1 13 11 8  o 21.13000       0.8142000     496.7121      123.1  
1 1 1 13 11 9  o 173.2000       3.514000      1876.810      -11.9  
1 1 1 13 11 10 o 17.67000       0.7451000     799.3758      15.7   
1 1 1 13 11 11 o 224.6000       4.495000      2400.290      -124.6 
1 1 1 13 11 12 o 336.1000       6.668000      2345.522      -44.1  
1 1 1 13 11 13 o 52.30000       1.349000      1098.176      76.7   
1 1 1 13 11 14 o 272.1000       5.165000      1876.488      57.5   
1 1 1 13 11 15 o 54.78000       1.615000      1776.389      62.0   
1 1 1 13 11 16 o 867.5000       17.05000      4207.755      -75.2  
1 1 1 13 11 17 o 3.486000       0.6341000     580.9001      -67.1  
1 1 1 13 11 18 o 31.74000       1.114000      917.7603      172.9  
1 1 1 13 11 19 o 172.3000       3.854000      2101.758      -38.4  
1 1 1 13 11 20 o 268.1000       5.866000      1887.363      141.8  
1 1 1 13 11 21 o 53.52000       1.570000      1222.212      -146.7 
1 1 1 13 11 22 o 290.1000       6.372000      2231.200      -39.5  
1 1 1 13 11 23 o 46.56000       1.766000      1146.080      -65.7  
1 1 1 13 11 24 o 113.4000       3.610000      1384.132      -159.2 
1 1 1 13 11 25 o 46.73000       1.709000      1101.376      105.1  
1 1 1 13 11 26 o 280.7000       5.772000      2473.134      -71.7  
1 1 1 13 11 27 o 128.9000       2.926000      1504.794      42.5   
1 1 1 13 11 28 o 54.24000       1.692000      1165.709      45.2   
1 1 1 13 11 29 o 248.5000       5.139000      2628.345      1.1    
1 1 1 13 11 30 o 8.185000       1.054000      350.5324      -133.3 
1 1 1 13 11 31 o 82.00000       2.077000      1491.377      167.5  
1 1 1 13 11 32 o 8.384000       1.077000      747.4828      -25.7  
1 1 1 13 11 33 o 276.7000       6.150000      2167.728      36.6   
1 1 1 13 11 34 o 2.571000       1.244000      315.0720      174.8  
1 1 1 13 11 35 o 80.57000       2.585000      1319.827      176.4  
1 1 1 13 11 36 o 19.08000       1.372000      713.0838      146.7  
1 1 1 13 11 37 o 5.895000       1.133000      325.5024      138.4  
1 1 1 13 11 38 o 28.66000       1.263000      744.5850      -154.7 
1 1 1 13 11 39 o 39.50000       1.414000      841.1059      -30.6  
1 1 1 13 11 40 o 83.17000       2.112000      1158.251      -122.0 
1 1 1 13 11 41 o 16.97000       1.157000      439.5382      -13.0  
1 1 1 13 11 42 o 18.42000       1.299000      432.4675      160.2  
1 1 1 13 11 43 o 71.65000       2.636000      1181.712      -171.3 
1 1 1 13 11 44 o 23.51000       1.428000      727.6285      -24.2  
1 1 1 13 11 45 o 15.03000       1.191000      489.6882      -162.4 
1 1 1 13 11 46 o 11.64000       1.183000      463.6680      133.1  
1 1 1 13 11 47 o 35.86000       1.490000      766.8558      139.1  
1 1 1 13 11 48 o 7.098000       1.192000      317.6541      115.4  
1 1 1 13 11 49 o 12.68000       1.248000      505.2980      35.8   
1 1 1 13 11 50 o 7.819000       1.236000      408.6041      -117.4 
1 1 1 13 11 51 o 47.00000       1.751000      1111.045      -167.7 
1 1 1 13 11 52 o 13.77000       1.485000      616.5527      -58.8  
1 1 1 13 11 53 o 12.72000       1.863000      493.5968      82.9   
1 1 1 13 11 54 o 14.90000       1.713000      578.5648      69.8   
1 1 1 13 11 55 o 3.062000       1.474000      154.1802      -112.9 
1 1 1 13 11 56 o 4.772000       1.390000      277.4368      145.2  
1 1 1 13 11 57 o 29.80000       1.631000      1066.052      162.2  
1 1 1 13 11 58 o 22.01000       1.753000      783.5862      145.9  
1 1 1 13 11 59 o 4.775000       1.731000      ?             ?      
1 1 1 13 11 60 o 8.876000       1.504000      ?             ?      
1 1 1 13 11 61 o -1.713000      1.331000      ?             ?      
1 1 1 13 11 62 o 5.282000       1.355000      ?             ?      
1 1 1 13 11 63 o 3.746000       1.353000      ?             ?      
1 1 1 13 11 64 o 8.543000       1.382000      ?             ?      
1 1 1 13 11 65 o 9.637000       1.381000      ?             ?      
1 1 1 13 11 66 o 4.182000       1.335000      ?             ?      
1 1 1 13 11 67 o 10.25000       1.515000      ?             ?      
1 1 1 13 11 68 o -1.776000      2.227000      ?             ?      
1 1 1 13 11 69 o 0.9307000      2.272000      ?             ?      
1 1 1 13 11 70 o 1.736000       1.639000      ?             ?      
1 1 1 13 11 72 o -1.583000      1.696000      ?             ?      
1 1 1 13 11 73 o 3.249000       1.605000      ?             ?      
1 1 1 13 11 74 o 0.1770000      1.526000      ?             ?      
1 1 1 13 12 0  o 208.0000       5.283000      1505.481      -90.0  
1 1 1 13 12 1  o 21.13000       0.6908000     459.1721      -2.1   
1 1 1 13 12 2  o 17.41000       0.5372000     572.6872      112.5  
1 1 1 13 12 3  o 75.20000       1.702000      1238.634      152.4  
1 1 1 13 12 4  o 243.0000       5.589000      2279.464      117.5  
1 1 1 13 12 5  o 14.30000       0.5778000     431.4156      90.0   
1 1 1 13 12 6  o 88.08000       2.155000      1141.077      -164.2 
1 1 1 13 12 7  o 165.0000       3.421000      1612.056      -36.5  
1 1 1 13 12 8  o 58.71000       1.369000      797.3940      172.2  
1 1 1 13 12 9  o 44.41000       1.171000      1085.356      -113.4 
1 1 1 13 12 10 o 8.907000       0.6076000     648.2035      108.2  
1 1 1 13 12 11 o 61.79000       1.705000      1320.472      49.7   
1 1 1 13 12 12 o 82.65000       2.274000      1644.003      30.2   
1 1 1 13 12 13 o 116.9000       2.570000      1762.436      -149.1 
1 1 1 13 12 14 o 115.4000       2.422000      1811.352      13.8   
1 1 1 13 12 15 o 152.9000       3.403000      1769.755      -37.4  
1 1 1 13 12 16 o 8.969000       0.7446000     682.6915      -19.3  
1 1 1 13 12 17 o 283.9000       6.152000      2536.054      57.3   
1 1 1 13 12 18 o 77.42000       1.950000      1170.622      -152.8 
1 1 1 13 12 19 o 64.30000       1.743000      932.1993      -38.4  
1 1 1 13 12 20 o 113.3000       2.707000      1583.092      -148.5 
1 1 1 13 12 21 o 5.825000       0.9238000     313.9577      -85.6  
1 1 1 13 12 22 o 103.7000       2.372000      1421.999      -163.9 
1 1 1 13 12 23 o 27.95000       1.268000      823.0795      -169.8 
1 1 1 13 12 24 o 4.946000       1.200000      579.2372      31.3   
1 1 1 13 12 25 o 73.08000       2.167000      1207.166      -132.3 
1 1 1 13 12 26 o 74.14000       2.131000      1478.363      -108.4 
1 1 1 13 12 27 o 191.3000       4.067000      1691.081      55.5   
1 1 1 13 12 28 o 32.54000       1.333000      1329.198      128.7  
1 1 1 13 12 29 o 4.157000       1.019000      303.5421      -120.5 
1 1 1 13 12 30 o 109.9000       2.552000      1183.326      -176.8 
1 1 1 13 12 31 o 369.8000       7.465000      2468.951      157.3  
1 1 1 13 12 32 o 86.38000       2.144000      1286.113      94.3   
1 1 1 13 12 33 o 136.2000       3.305000      1795.076      -170.2 
1 1 1 13 12 34 o 11.53000       1.289000      542.7285      -156.1 
1 1 1 13 12 35 o 65.24000       2.273000      1173.269      -77.9  
1 1 1 13 12 36 o 26.92000       1.402000      1004.348      -15.9  
1 1 1 13 12 37 o 53.31000       1.777000      1254.134      109.8  
1 1 1 13 12 38 o 40.45000       1.441000      1106.000      -39.2  
1 1 1 13 12 39 f 39.79000       1.415000      877.1946      -97.8  
1 1 1 13 12 40 o 65.65000       1.825000      1187.556      66.5   
1 1 1 13 12 41 o 48.86000       1.601000      967.0431      -61.6  
1 1 1 13 12 42 o 12.84000       1.259000      639.6100      47.9   
1 1 1 13 12 43 o 8.753000       1.243000      418.4080      -137.1 
1 1 1 13 12 44 o 25.77000       1.391000      687.1858      -79.8  
1 1 1 13 12 45 o 2.801000       1.115000      242.4123      79.3   
1 1 1 13 12 46 o 20.09000       1.275000      674.0370      142.9  
1 1 1 13 12 47 o 113.5000       2.760000      ?             ?      
1 1 1 13 12 48 o 52.85000       1.752000      1227.776      48.7   
1 1 1 13 12 49 o 20.06000       1.330000      663.2808      -149.0 
1 1 1 13 12 50 o 9.520000       1.261000      342.7140      -20.5  
1 1 1 13 12 51 o 7.612000       1.282000      316.7233      136.8  
1 1 1 13 12 52 o 18.78000       1.527000      786.2195      -171.2 
1 1 1 13 12 53 o 15.82000       1.858000      708.0181      -142.6 
1 1 1 13 12 54 o 29.99000       2.130000      759.0056      150.8  
1 1 1 13 12 55 o 8.586000       1.530000      240.7928      -1.3   
1 1 1 13 12 56 o 2.610000       1.392000      207.9733      -74.6  
1 1 1 13 12 57 o 23.28000       1.665000      770.9714      -127.2 
1 1 1 13 12 58 o 27.37000       2.009000      ?             ?      
1 1 1 13 12 59 o 1.222000       1.548000      ?             ?      
1 1 1 13 12 60 o 24.87000       1.565000      ?             ?      
1 1 1 13 12 61 o 14.97000       1.451000      ?             ?      
1 1 1 13 12 62 o 3.880000       1.343000      ?             ?      
1 1 1 13 12 64 o 8.759000       1.365000      ?             ?      
1 1 1 13 12 65 o 1.015000       1.298000      ?             ?      
1 1 1 13 12 66 o 6.258000       1.344000      ?             ?      
1 1 1 13 12 67 o 2.437000       1.316000      ?             ?      
1 1 1 13 12 68 o 1.700000       1.448000      ?             ?      
1 1 1 13 12 69 o -0.8985000     1.663000      ?             ?      
1 1 1 13 12 70 o 3.502000       1.578000      ?             ?      
1 1 1 13 12 71 o 1.995000       1.624000      ?             ?      
1 1 1 13 12 72 o 0.8230000      1.699000      ?             ?      
1 1 1 13 12 73 o 3.800000       1.756000      ?             ?      
1 1 1 13 13 0  o 30.06000       1.060000      993.2839      -90.0  
1 1 1 13 13 1  o 237.1000       4.713000      2218.688      -143.4 
1 1 1 13 13 2  o 55.86000       1.403000      951.3713      171.7  
1 1 1 13 13 3  o 78.03000       1.830000      1355.153      168.2  
1 1 1 13 13 4  o 54.23000       1.348000      1344.167      14.8   
1 1 1 13 13 5  o 50.23000       1.341000      1037.536      -102.0 
1 1 1 13 13 6  o 13.02000       0.6180000     730.3461      -164.1 
1 1 1 13 13 7  o 4.696000       0.5457000     95.99354      119.9  
1 1 1 13 13 8  o 332.8000       6.819000      2429.172      33.5   
1 1 1 13 13 9  o 5.048000       0.5813000     220.8874      152.7  
1 1 1 13 13 10 o 29.81000       1.086000      513.9358      163.5  
1 1 1 13 13 11 o 12.46000       0.6967000     850.5823      142.5  
1 1 1 13 13 12 o 11.76000       0.7291000     512.5634      -148.7 
1 1 1 13 13 13 o 268.9000       6.224000      2233.205      59.2   
1 1 1 13 13 14 o 136.6000       2.840000      2065.238      -4.5   
1 1 1 13 13 15 o 16.03000       0.7529000     882.7664      116.7  
1 1 1 13 13 16 o 0.4125000      0.5876000     344.8712      -66.6  
1 1 1 13 13 17 o 26.97000       1.024000      823.5227      150.4  
1 1 1 13 13 18 o 35.51000       1.217000      869.2601      -166.9 
1 1 1 13 13 19 o 434.6000       8.650000      3370.577      -80.8  
1 1 1 13 13 20 o 298.4000       6.026000      2278.685      114.0  
1 1 1 13 13 21 o 639.2000       12.65000      3376.683      -17.7  
1 1 1 13 13 22 o 31.70000       1.240000      882.7552      79.1   
1 1 1 13 13 23 o 90.12000       2.705000      1704.257      138.0  
1 1 1 13 13 24 o 6.203000       1.112000      656.2188      156.6  
1 1 1 13 13 25 o 44.11000       1.538000      1081.695      -62.6  
1 1 1 13 13 26 o 224.8000       4.686000      2393.022      -31.6  
1 1 1 13 13 27 o 42.46000       1.601000      492.5488      158.7  
1 1 1 13 13 28 o 5.511000       1.012000      579.1884      -79.5  
1 1 1 13 13 29 o 121.0000       2.746000      1249.986      -1.5   
1 1 1 13 13 30 o 37.52000       1.367000      1490.676      -151.7 
1 1 1 13 13 31 o 32.30000       1.298000      631.7169      159.2  
1 1 1 13 13 32 o 75.44000       1.949000      1116.575      -176.4 
1 1 1 13 13 33 o 18.65000       1.165000      806.5071      -136.7 
1 1 1 13 13 34 o 84.38000       2.313000      1177.726      179.1  
1 1 1 13 13 35 o 2.183000       1.214000      301.9667      118.2  
1 1 1 13 13 36 o 33.17000       1.734000      891.8320      100.7  
1 1 1 13 13 37 o 26.29000       1.485000      761.4220      78.6   
1 1 1 13 13 38 o 71.92000       2.081000      1311.109      -117.9 
1 1 1 13 13 39 o 73.13000       1.954000      1078.831      74.7   
1 1 1 13 13 40 o 22.77000       1.219000      664.4419      -144.1 
1 1 1 13 13 41 o 7.553000       1.167000      545.2399      107.4  
1 1 1 13 13 42 o 6.711000       1.361000      303.4983      176.6  
1 1 1 13 13 43 o 3.462000       1.209000      393.2722      -159.4 
1 1 1 13 13 44 o 116.2000       2.776000      ?             ?      
1 1 1 13 13 45 o 81.44000       2.167000      1217.989      -127.6 
1 1 1 13 13 46 o 14.25000       1.213000      573.3838      152.7  
1 1 1 13 13 47 o 51.35000       1.712000      1051.383      130.9  
1 1 1 13 13 48 o 32.75000       1.456000      819.0979      -64.3  
1 1 1 13 13 49 o 3.949000       1.194000      373.0421      168.0  
1 1 1 13 13 50 o 51.79000       1.784000      1078.403      -73.1  
1 1 1 13 13 51 o 27.63000       1.471000      629.0517      69.3   
1 1 1 13 13 52 o 0.2972000      1.373000      153.1424      -26.3  
1 1 1 13 13 53 o 12.53000       1.625000      522.2720      -158.4 
1 1 1 13 13 54 o 10.72000       1.881000      718.4036      -4.0   
1 1 1 13 13 55 o -0.2400000     1.629000      226.6624      -50.0  
1 1 1 13 13 56 o 12.40000       1.565000      602.9115      76.6   
1 1 1 13 13 57 o 5.844000       1.560000      379.9155      143.8  
1 1 1 13 13 58 o 5.622000       1.738000      ?             ?      
1 1 1 13 13 59 o 11.15000       1.533000      ?             ?      
1 1 1 13 13 60 o 0.8936000      1.362000      ?             ?      
1 1 1 13 13 61 o 13.25000       1.440000      ?             ?      
1 1 1 13 13 62 o 3.469000       1.330000      ?             ?      
1 1 1 13 13 63 o 1.164000       1.307000      ?             ?      
1 1 1 13 13 64 o -0.1533000     1.298000      ?             ?      
1 1 1 13 13 65 o 6.460000       1.332000      ?             ?      
1 1 1 13 13 66 o 3.192000       1.308000      ?             ?      
1 1 1 13 13 67 o 3.890000       1.321000      ?             ?      
1 1 1 13 13 68 o 0.5524000      1.438000      ?             ?      
1 1 1 13 13 69 o 6.940000       1.745000      ?             ?      
1 1 1 13 13 70 o 3.491000       1.597000      ?             ?      
1 1 1 13 13 71 o -1.351000      1.720000      ?             ?      
1 1 1 13 13 72 o 2.748000       1.709000      ?             ?      
1 1 1 13 14 0  o 4.225000       0.5628000     368.3170      -90.0  
1 1 1 13 14 1  o 24.79000       0.7776000     927.7153      95.0   
1 1 1 13 14 2  o 30.50000       0.8320000     782.6138      -69.2  
1 1 1 13 14 3  o 117.5000       2.614000      1808.728      135.3  
1 1 1 13 14 4  o 5.943000       0.5077000     289.5164      149.3  
1 1 1 13 14 5  o 78.67000       1.965000      1316.302      -6.2   
1 1 1 13 14 6  o 100.8000       2.205000      1403.883      -97.5  
1 1 1 13 14 7  o 80.46000       1.832000      1207.295      -172.2 
1 1 1 13 14 8  o 95.77000       2.207000      1163.038      -160.9 
1 1 1 13 14 9  o 35.58000       1.379000      815.0591      98.1   
1 1 1 13 14 10 o 30.12000       1.045000      777.1252      -175.6 
1 1 1 13 14 11 o 12.92000       0.8833000     415.2635      -115.8 
1 1 1 13 14 12 o 18.03000       0.8618000     719.4050      69.1   
1 1 1 13 14 13 o 3.691000       0.7305000     502.6337      164.4  
1 1 1 13 14 14 o 65.00000       1.511000      1372.126      -129.5 
1 1 1 13 14 15 o 25.29000       0.9614000     1144.932      114.0  
1 1 1 13 14 16 o 49.10000       1.369000      1301.524      66.5   
1 1 1 13 14 17 o 17.53000       0.8705000     825.9000      -110.1 
1 1 1 13 14 18 o 99.01000       2.216000      1713.467      -67.6  
1 1 1 13 14 19 o 45.59000       1.310000      758.2418      60.2   
1 1 1 13 14 20 o 238.6000       4.878000      2305.325      29.0   
1 1 1 13 14 21 o 239.9000       5.308000      1940.473      -147.3 
1 1 1 13 14 22 o 39.57000       1.444000      820.3417      -127.1 
1 1 1 13 14 23 o 47.94000       1.871000      1019.678      -165.3 
1 1 1 13 14 24 o 115.5000       3.021000      1424.406      5.4    
1 1 1 13 14 25 o 59.16000       1.710000      757.0101      -36.4  
1 1 1 13 14 26 o 4.201000       1.083000      534.2932      142.5  
1 1 1 13 14 27 o 53.81000       1.745000      1242.700      105.1  
1 1 1 13 14 28 o 95.87000       2.293000      1423.837      -154.1 
1 1 1 13 14 29 o 158.4000       3.437000      1713.912      -86.7  
1 1 1 13 14 30 o 24.29000       1.185000      887.0183      47.1   
1 1 1 13 14 31 o 15.30000       1.086000      425.4027      104.6  
1 1 1 13 14 32 o 15.80000       1.100000      663.9085      -56.2  
1 1 1 13 14 33 o 61.38000       1.724000      980.0005      -146.6 
1 1 1 13 14 34 o 11.20000       1.185000      525.1401      -69.1  
1 1 1 13 14 35 o 20.18000       1.363000      573.7432      -135.4 
1 1 1 13 14 36 o 33.06000       1.459000      895.0477      94.5   
1 1 1 13 14 37 o 38.43000       1.571000      1032.199      -142.5 
1 1 1 13 14 38 o 2.583000       1.134000      184.1987      -117.4 
1 1 1 13 14 39 o 83.64000       2.329000      1410.431      -2.7   
1 1 1 13 14 40 o 3.348000       1.054000      140.1646      93.8   
1 1 1 13 14 41 o 24.30000       1.377000      839.3360      -48.1  
1 1 1 13 14 42 o 19.85000       1.360000      688.9962      141.1  
1 1 1 13 14 43 o 17.05000       1.186000      524.7209      7.7    
1 1 1 13 14 44 o 10.85000       1.151000      464.6566      -51.3  
1 1 1 13 14 45 o 8.652000       1.146000      527.8137      58.6   
1 1 1 13 14 46 o 31.17000       1.386000      867.8467      -141.7 
1 1 1 13 14 47 o 3.087000       1.139000      201.2354      69.9   
1 1 1 13 14 48 o 8.262000       1.205000      431.7794      22.4   
1 1 1 13 14 49 o 2.652000       1.190000      240.2422      71.2   
1 1 1 13 14 50 o 2.716000       1.229000      310.9281      2.0    
1 1 1 13 14 51 o 15.84000       1.364000      616.6152      100.3  
1 1 1 13 14 52 o 6.017000       1.316000      419.4036      166.5  
1 1 1 13 14 53 o 19.02000       1.603000      639.1529      84.2   
1 1 1 13 14 54 o -0.8595000     1.500000      81.23138      -98.0  
1 1 1 13 14 55 o 11.18000       1.635000      554.5400      -7.7   
1 1 1 13 14 56 o 0.9791000      1.559000      187.4790      4.1    
1 1 1 13 14 57 o 0.3102000      1.539000      239.4991      37.6   
1 1 1 13 14 58 o 5.753000       1.563000      ?             ?      
1 1 1 13 14 59 o 3.415000       1.363000      ?             ?      
1 1 1 13 14 60 o 3.354000       1.356000      ?             ?      
1 1 1 13 14 61 o 23.50000       1.648000      ?             ?      
1 1 1 13 14 62 o 1.411000       1.317000      ?             ?      
1 1 1 13 14 63 o 0.8889000      1.296000      ?             ?      
1 1 1 13 14 64 o 1.686000       1.298000      ?             ?      
1 1 1 13 14 65 o 1.900000       1.300000      ?             ?      
1 1 1 13 14 66 o 2.113000       1.306000      ?             ?      
1 1 1 13 14 67 o 0.5814000      1.302000      ?             ?      
1 1 1 13 14 68 o 8.798000       1.524000      ?             ?      
1 1 1 13 14 69 o 0.1919000      1.561000      ?             ?      
1 1 1 13 14 70 o 1.033000       2.161000      ?             ?      
1 1 1 13 14 71 o 3.110000       2.140000      ?             ?      
1 1 1 13 14 72 o 3.272000       1.583000      ?             ?      
1 1 1 13 14 73 o 0.3492000      1.393000      ?             ?      
1 1 1 13 15 0  o 35.94000       1.457000      738.9964      -90.0  
1 1 1 13 15 1  o 78.31000       1.994000      917.7333      -145.1 
1 1 1 13 15 2  o 73.07000       1.802000      1491.330      -1.9   
1 1 1 13 15 3  o 18.28000       0.6568000     621.3526      171.4  
1 1 1 13 15 4  o 30.25000       0.8539000     893.8323      -44.7  
1 1 1 13 15 5  o 1.715000       0.5285000     196.7170      59.7   
1 1 1 13 15 6  o 35.20000       1.020000      730.5596      -148.4 
1 1 1 13 15 7  o 27.82000       0.9757000     1188.807      33.2   
1 1 1 13 15 8  o 7.709000       0.6849000     517.4069      -111.4 
1 1 1 13 15 9  o 60.44000       1.865000      1224.079      -102.6 
1 1 1 13 15 10 o 96.29000       2.733000      1001.430      158.9  
1 1 1 13 15 11 o 90.66000       2.441000      1799.537      62.3   
1 1 1 13 15 12 o 73.59000       2.122000      1507.684      -70.4  
1 1 1 13 15 13 o -0.8640000     0.8484000     242.9647      47.4   
1 1 1 13 15 14 o 32.27000       1.340000      896.2055      -20.3  
1 1 1 13 15 15 o 105.4000       2.482000      1626.186      -16.6  
1 1 1 13 15 16 o 6.903000       0.6877000     757.6483      -166.5 
1 1 1 13 15 17 o 27.23000       0.9455000     1183.126      63.4   
1 1 1 13 15 18 o 65.91000       1.575000      1324.717      107.0  
1 1 1 13 15 19 o 15.95000       0.9156000     871.6564      -50.7  
1 1 1 13 15 20 o 21.00000       1.105000      741.7314      125.9  
1 1 1 13 15 21 o 72.26000       1.934000      1321.694      -29.2  
1 1 1 13 15 22 o 110.4000       3.194000      1422.674      108.5  
1 1 1 13 15 23 o 14.35000       1.240000      625.6512      87.7   
1 1 1 13 15 24 o 175.2000       4.018000      1983.133      13.5   
1 1 1 13 15 25 o 7.220000       1.091000      252.9598      72.3   
1 1 1 13 15 26 o 78.54000       2.030000      1268.408      7.4    
1 1 1 13 15 27 o 9.936000       1.014000      499.0467      -65.9  
1 1 1 13 15 28 o 131.0000       2.922000      1379.597      76.2   
1 1 1 13 15 29 o 8.676000       1.016000      256.7251      65.1   
1 1 1 13 15 30 o 10.70000       1.036000      411.4152      101.7  
1 1 1 13 15 31 o 40.56000       1.386000      976.7248      147.0  
1 1 1 13 15 32 o 78.16000       1.992000      1287.701      -94.7  
1 1 1 13 15 33 o -0.5860000     0.9823000     461.0402      -38.4  
1 1 1 13 15 34 o 75.80000       1.971000      1371.359      154.4  
1 1 1 13 15 35 o 44.11000       1.619000      861.5684      67.6   
1 1 1 13 15 36 o 19.90000       1.371000      884.2494      115.9  
1 1 1 13 15 37 o 37.86000       1.926000      871.6878      -107.8 
1 1 1 13 15 38 o 2.111000       1.244000      296.4239      101.0  
1 1 1 13 15 39 o 155.9000       3.736000      ?             ?      
1 1 1 13 15 40 o 40.90000       1.844000      988.2161      131.0  
1 1 1 13 15 41 o 20.47000       1.529000      508.4990      15.6   
1 1 1 13 15 42 o 29.46000       1.487000      774.2891      -176.4 
1 1 1 13 15 43 o 14.02000       1.159000      557.5154      -61.7  
1 1 1 13 15 44 o 0.9079000      1.055000      109.0966      6.2    
1 1 1 13 15 45 o 23.13000       1.269000      720.4512      177.0  
1 1 1 13 15 46 o 7.011000       1.136000      282.2709      43.8   
1 1 1 13 15 47 o 11.83000       1.198000      573.0604      71.7   
1 1 1 13 15 48 o 35.72000       1.490000      778.1662      -137.0 
1 1 1 13 15 49 o 0.8912000      1.193000      252.0110      136.4  
1 1 1 13 15 50 o 3.036000       1.237000      237.2112      -170.9 
1 1 1 13 15 51 o 19.84000       1.410000      698.6132      102.3  
1 1 1 13 15 52 o 20.79000       1.465000      781.2840      -154.0 
1 1 1 13 15 53 o 2.325000       1.475000      168.2206      -8.7   
1 1 1 13 15 54 o 14.73000       1.692000      542.1305      89.3   
1 1 1 13 15 55 o 1.562000       1.827000      149.9309      88.6   
1 1 1 13 15 56 o 9.536000       1.986000      310.4865      31.0   
1 1 1 13 15 57 o 1.580000       2.191000      205.4881      -148.7 
1 1 1 13 15 58 o 5.848000       1.548000      ?             ?      
1 1 1 13 15 59 o 11.40000       1.416000      ?             ?      
1 1 1 13 15 60 o 4.342000       1.350000      ?             ?      
1 1 1 13 15 61 o 5.008000       1.335000      ?             ?      
1 1 1 13 15 62 o 3.214000       1.313000      ?             ?      
1 1 1 13 15 63 o 1.327000       1.293000      ?             ?      
1 1 1 13 15 64 o 4.553000       1.306000      ?             ?      
1 1 1 13 15 65 o 0.3445000      1.290000      ?             ?      
1 1 1 13 15 66 o 2.597000       1.318000      ?             ?      
1 1 1 13 15 67 o 3.818000       1.339000      ?             ?      
1 1 1 13 15 68 o 4.114000       1.363000      ?             ?      
1 1 1 13 15 69 o 1.436000       1.476000      ?             ?      
1 1 1 13 15 70 o 5.007000       2.278000      ?             ?      
1 1 1 13 15 71 o -7.337000      2.279000      ?             ?      
1 1 1 13 15 72 o 3.763000       1.645000      ?             ?      
1 1 1 13 15 73 o -0.1363000     1.375000      ?             ?      
1 1 1 13 16 0  o 7.536000       0.6863000     1087.325      90.0   
1 1 1 13 16 1  o 77.91000       1.711000      1548.898      159.7  
1 1 1 13 16 2  o 6.277000       0.6039000     375.7400      -150.0 
1 1 1 13 16 3  o 86.37000       2.008000      1530.347      126.3  
1 1 1 13 16 4  o 18.29000       0.7991000     865.2894      -64.4  
1 1 1 13 16 5  o 13.90000       0.7518000     840.8346      -44.9  
1 1 1 13 16 6  o 8.219000       0.7718000     589.3055      -146.4 
1 1 1 13 16 7  o 25.40000       1.084000      668.9061      -117.7 
1 1 1 13 16 8  o 58.09000       1.631000      1217.319      -20.1  
1 1 1 13 16 9  o 69.69000       2.058000      1103.036      -91.3  
1 1 1 13 16 10 o 240.6000       6.290000      2549.673      160.5  
1 1 1 13 16 11 o 4.431000       0.7325000     303.7817      -134.1 
1 1 1 13 16 12 o 90.30000       2.631000      1165.143      97.3   
1 1 1 13 16 13 o 21.69000       0.9614000     1032.797      110.2  
1 1 1 13 16 14 o 5.443000       0.9831000     430.4789      127.5  
1 1 1 13 16 15 o 331.6000       6.638000      2682.741      107.1  
1 1 1 13 16 16 o 14.51000       0.8189000     727.9926      113.6  
1 1 1 13 16 17 o 124.7000       2.904000      1733.678      -90.2  
1 1 1 13 16 18 o 24.20000       1.048000      754.9760      -27.6  
1 1 1 13 16 19 o 97.48000       2.232000      1405.788      -156.8 
1 1 1 13 16 20 o 33.95000       1.221000      929.6627      -13.5  
1 1 1 13 16 21 o 63.27000       2.027000      1244.708      -126.2 
1 1 1 13 16 22 o 7.636000       1.432000      346.4763      164.3  
1 1 1 13 16 23 o 2.926000       1.092000      292.7227      160.0  
1 1 1 13 16 24 o 5.187000       1.062000      448.6388      -159.0 
1 1 1 13 16 25 o 41.73000       1.430000      593.9351      148.8  
1 1 1 13 16 26 o 11.41000       1.036000      564.4233      74.2   
1 1 1 13 16 27 o 23.58000       1.135000      556.6263      168.6  
1 1 1 13 16 28 o 13.09000       1.035000      622.5936      -125.7 
1 1 1 13 16 29 o 15.35000       1.056000      741.5710      15.4   
1 1 1 13 16 30 o 32.62000       1.264000      928.9835      57.6   
1 1 1 13 16 31 o 3.687000       0.9827000     70.57276      85.8   
1 1 1 13 16 32 o 39.31000       1.360000      727.7101      -134.8 
1 1 1 13 16 33 o 0.7178000      0.9843000     283.1113      139.7  
1 1 1 13 16 34 o 8.679000       1.026000      558.1224      -45.9  
1 1 1 13 16 35 o 6.238000       1.130000      312.5695      50.3   
1 1 1 13 16 36 o 50.66000       1.856000      1056.086      -94.4  
1 1 1 13 16 37 o 5.204000       1.146000      418.7336      -152.2 
1 1 1 13 16 38 o 2.302000       1.172000      204.5617      81.3   
1 1 1 13 16 39 o 16.57000       1.309000      619.3232      -114.5 
1 1 1 13 16 40 o 31.33000       1.670000      897.2924      -178.7 
1 1 1 13 16 41 o 15.43000       1.370000      658.9736      -109.1 
1 1 1 13 16 42 o 18.76000       1.204000      804.5667      123.7  
1 1 1 13 16 43 o 49.60000       1.641000      943.1453      -20.1  
1 1 1 13 16 44 o 6.572000       1.101000      443.9174      -108.3 
1 1 1 13 16 45 o 4.503000       1.093000      286.3514      34.8   
1 1 1 13 16 46 o 5.207000       1.116000      517.9494      161.6  
1 1 1 13 16 47 o 7.792000       1.153000      368.6995      24.6   
1 1 1 13 16 48 o 18.01000       1.296000      628.4545      -45.6  
1 1 1 13 16 49 o 6.054000       1.219000      240.7568      -29.0  
1 1 1 13 16 50 o -0.5961000     1.216000      138.7247      -151.9 
1 1 1 13 16 51 o -0.1275000     1.270000      51.91589      160.9  
1 1 1 13 16 52 o 0.3134000      1.325000      212.3231      -99.6  
1 1 1 13 16 53 o 31.21000       1.638000      775.1768      4.2    
1 1 1 13 16 54 o 2.883000       1.503000      135.6922      5.9    
1 1 1 13 16 55 o 1.716000       1.535000      261.1979      -153.9 
1 1 1 13 16 56 o 2.591000       1.793000      352.7599      21.3   
1 1 1 13 16 57 o 0.2985000      1.728000      ?             ?      
1 1 1 13 16 58 o 2.497000       1.343000      ?             ?      
1 1 1 13 16 59 o 3.088000       1.327000      ?             ?      
1 1 1 13 16 60 o 4.738000       1.344000      ?             ?      
1 1 1 13 16 61 o 4.222000       1.324000      ?             ?      
1 1 1 13 16 62 o 3.171000       1.302000      ?             ?      
1 1 1 13 16 63 o 3.785000       1.298000      ?             ?      
1 1 1 13 16 64 o 2.985000       1.304000      ?             ?      
1 1 1 13 16 65 o 5.248000       1.325000      ?             ?      
1 1 1 13 16 66 o 2.530000       1.305000      ?             ?      
1 1 1 13 16 67 o 0.9388000      1.307000      ?             ?      
1 1 1 13 16 68 o 9.644000       1.409000      ?             ?      
1 1 1 13 16 69 o 1.253000       1.550000      ?             ?      
1 1 1 13 16 70 o 0.6925000      1.910000      ?             ?      
1 1 1 13 16 71 o -0.5442000     2.336000      ?             ?      
1 1 1 13 16 72 o 1.866000       1.518000      ?             ?      
1 1 1 13 17 0  o 185.6000       6.109000      1916.656      -90.0  
1 1 1 13 17 1  o 15.20000       0.6532000     768.6061      -88.6  
1 1 1 13 17 2  o 36.44000       1.316000      1102.136      -75.7  
1 1 1 13 17 3  o -1.230000      0.5647000     208.2798      34.0   
1 1 1 13 17 4  o 43.96000       1.560000      879.9944      -85.4  
1 1 1 13 17 5  o 20.10000       0.8909000     526.2961      -0.6   
1 1 1 13 17 6  o 22.55000       0.9839000     684.1418      3.9    
1 1 1 13 17 7  o 22.63000       1.038000      925.5082      -22.9  
1 1 1 13 17 8  o 42.66000       1.626000      956.8465      -101.6 
1 1 1 13 17 9  o 8.868000       0.8198000     349.5347      -150.3 
1 1 1 13 17 10 o 1.765000       0.7611000     352.2837      -102.9 
1 1 1 13 17 11 o 3.579000       0.7921000     492.0459      -105.1 
1 1 1 13 17 12 o 122.4000       3.045000      1667.096      -141.2 
1 1 1 13 17 13 o 13.06000       0.9146000     618.1099      79.5   
1 1 1 13 17 14 o 4.341000       0.8653000     415.3103      70.0   
1 1 1 13 17 15 o 17.51000       1.073000      696.9858      -34.2  
1 1 1 13 17 16 o 124.1000       2.684000      1787.578      -157.6 
1 1 1 13 17 17 o 110.3000       3.292000      1588.506      -22.1  
1 1 1 13 17 18 o 26.30000       1.030000      928.4808      -24.8  
1 1 1 13 17 19 o 4.871000       0.8639000     475.4297      24.6   
1 1 1 13 17 20 o 4.961000       0.9434000     385.9385      39.4   
1 1 1 13 17 21 o 11.95000       1.184000      653.8787      30.4   
1 1 1 13 17 22 o 13.75000       1.228000      824.2868      138.6  
1 1 1 13 17 23 o 5.292000       1.066000      432.6956      -132.9 
1 1 1 13 17 24 o 143.9000       3.185000      1710.165      42.3   
1 1 1 13 17 25 o 2.500000       0.9620000     423.8391      160.6  
1 1 1 13 17 26 o 35.35000       1.304000      1029.156      54.2   
1 1 1 13 17 27 o 4.632000       0.9738000     449.3680      -155.9 
1 1 1 13 17 28 o 45.76000       1.442000      830.6662      122.2  
1 1 1 13 17 29 o 15.58000       1.054000      419.8554      -171.7 
1 1 1 13 17 30 o 1.413000       0.9520000     149.0443      31.7   
1 1 1 13 17 31 o 23.82000       1.162000      633.0721      99.3   
1 1 1 13 17 32 o 1.303000       0.9805000     262.1520      -17.9  
1 1 1 13 17 33 o 8.035000       1.005000      504.2194      147.2  
1 1 1 13 17 34 o 31.73000       1.267000      808.2988      99.2   
1 1 1 13 17 35 o 18.15000       1.218000      788.5803      60.6   
1 1 1 13 17 36 o 12.21000       1.204000      397.4265      -69.4  
1 1 1 13 17 37 o 2.538000       1.110000      378.6409      -66.3  
1 1 1 13 17 38 o 3.188000       1.207000      157.4277      -153.4 
1 1 1 13 17 39 o 1.534000       1.435000      377.4636      158.9  
1 1 1 13 17 40 o 6.001000       1.576000      365.6636      -18.5  
1 1 1 13 17 41 o 4.711000       1.172000      405.7069      167.2  
1 1 1 13 17 42 o 7.745000       1.096000      385.9312      91.4   
1 1 1 13 17 43 o 8.619000       1.186000      499.4691      -119.6 
1 1 1 13 17 44 o 18.30000       1.216000      501.9904      82.7   
1 1 1 13 17 45 f 6.539000       1.108000      214.7991      46.7   
1 1 1 13 17 46 o 8.787000       1.145000      533.7172      82.1   
1 1 1 13 17 47 o 7.095000       1.156000      384.9878      115.7  
1 1 1 13 17 48 o 12.51000       1.243000      482.5678      -143.3 
1 1 1 13 17 49 o 4.305000       1.203000      288.4746      39.3   
1 1 1 13 17 50 o 14.72000       1.336000      569.4286      142.8  
1 1 1 13 17 51 o 0.5484000      1.277000      206.9366      149.3  
1 1 1 13 17 52 o -1.014000      1.312000      138.1762      -93.8  
1 1 1 13 17 53 o 3.865000       1.361000      380.6858      40.9   
1 1 1 13 17 54 o 6.333000       1.505000      292.8125      137.1  
1 1 1 13 17 55 o -0.9477000     1.797000      171.7520      -7.3   
1 1 1 13 17 56 o 8.366000       2.684000      405.0422      -46.7  
1 1 1 13 17 57 o 1.730000       1.909000      ?             ?      
1 1 1 13 17 58 o 0.8865000      1.443000      ?             ?      
1 1 1 13 17 59 o -0.2841000     1.290000      ?             ?      
1 1 1 13 17 60 o 0.2586000      1.289000      ?             ?      
1 1 1 13 17 61 o 2.693000       1.304000      ?             ?      
1 1 1 13 17 62 o 2.732000       1.302000      ?             ?      
1 1 1 13 17 63 o 3.017000       1.290000      ?             ?      
1 1 1 13 17 64 o 1.934000       1.299000      ?             ?      
1 1 1 13 17 65 o 1.229000       1.290000      ?             ?      
1 1 1 13 17 66 o 4.069000       1.318000      ?             ?      
1 1 1 13 17 67 o 1.618000       1.311000      ?             ?      
1 1 1 13 17 68 o -1.545000      1.319000      ?             ?      
1 1 1 13 17 69 o 1.227000       1.513000      ?             ?      
1 1 1 13 17 70 o -1.207000      2.087000      ?             ?      
1 1 1 13 17 72 o -3.708000      1.627000      ?             ?      
1 1 1 13 18 0  o 2.907000       0.7786000     120.9046      -90.0  
1 1 1 13 18 1  o 21.23000       0.9729000     638.2925      52.1   
1 1 1 13 18 2  o 20.74000       0.8716000     774.6306      101.9  
1 1 1 13 18 3  o 5.067000       0.7928000     392.2284      -71.7  
1 1 1 13 18 4  o 21.98000       1.150000      881.9086      57.4   
1 1 1 13 18 5  o 6.314000       0.8446000     414.9371      30.8   
1 1 1 13 18 6  o 16.40000       0.8268000     715.7791      16.9   
1 1 1 13 18 7  o 113.0000       3.174000      1513.068      -90.5  
1 1 1 13 18 8  o 7.509000       0.8077000     428.9783      1.5    
1 1 1 13 18 9  f 1.990000       0.7815000     405.7802      122.1  
1 1 1 13 18 10 o 3.425000       0.8143000     450.3858      9.1    
1 1 1 13 18 11 o 3.916000       0.8642000     428.1477      -149.9 
1 1 1 13 18 12 o 31.53000       1.355000      686.9284      123.7  
1 1 1 13 18 13 o 30.89000       1.194000      850.0319      5.3    
1 1 1 13 18 14 o 10.34000       0.9920000     681.5183      106.4  
1 1 1 13 18 15 o 2.829000       0.9600000     390.3448      42.2   
1 1 1 13 18 16 o 8.386000       1.066000      443.6491      -93.6  
1 1 1 13 18 17 o 26.69000       1.146000      998.8099      -42.8  
1 1 1 13 18 18 o 79.61000       2.097000      1146.359      127.3  
1 1 1 13 18 19 o 56.76000       1.611000      1197.246      176.2  
1 1 1 13 18 20 o 3.120000       0.9744000     243.1744      -142.2 
1 1 1 13 18 21 o 18.80000       1.297000      595.5316      -156.0 
1 1 1 13 18 22 o 44.22000       1.551000      871.2555      -91.1  
1 1 1 13 18 23 o 15.66000       1.082000      518.9042      158.2  
1 1 1 13 18 24 o 24.03000       1.155000      583.5402      163.1  
1 1 1 13 18 25 o 44.99000       1.461000      747.8174      146.8  
1 1 1 13 18 26 o 9.417000       1.003000      354.5660      -135.4 
1 1 1 13 18 27 o 10.19000       0.9916000     350.3572      -170.4 
1 1 1 13 18 28 o 18.79000       1.075000      561.1038      -46.5  
1 1 1 13 18 29 o -2.515000      0.9185000     74.37737      54.5   
1 1 1 13 18 30 o 6.059000       0.9538000     182.2830      -116.5 
1 1 1 13 18 31 o 32.81000       1.267000      883.6986      91.4   
1 1 1 13 18 32 o 34.29000       1.292000      855.0208      -149.0 
1 1 1 13 18 33 o 5.756000       0.9850000     311.4849      24.3   
1 1 1 13 18 34 o 3.147000       0.9776000     194.2118      -104.5 
1 1 1 13 18 35 o 7.388000       1.003000      340.1102      154.3  
1 1 1 13 18 36 o 13.03000       1.182000      552.0814      -91.4  
1 1 1 13 18 37 o 18.57000       1.360000      616.6664      71.0   
1 1 1 13 18 38 o 8.808000       1.174000      370.2850      -95.4  
1 1 1 13 18 39 o 2.597000       1.343000      352.0273      175.9  
1 1 1 13 18 40 o 6.527000       1.578000      439.5366      -168.3 
1 1 1 13 18 41 o 1.840000       1.185000      125.7815      67.9   
1 1 1 13 18 42 o 5.683000       1.079000      194.0528      82.0   
1 1 1 13 18 43 o 9.569000       1.129000      350.6849      -152.0 
1 1 1 13 18 44 o 13.02000       1.174000      462.3667      -84.1  
1 1 1 13 18 45 o 1.530000       1.099000      122.4740      78.2   
1 1 1 13 18 46 o 2.916000       1.121000      256.1769      167.3  
1 1 1 13 18 47 o 7.038000       1.180000      444.2177      -104.7 
1 1 1 13 18 48 o 4.873000       1.181000      225.1339      -109.4 
1 1 1 13 18 49 o 11.33000       1.266000      479.5653      -71.5  
1 1 1 13 18 50 o 0.5368000      1.225000      13.22935      111.8  
1 1 1 13 18 51 o 1.476000       1.287000      150.2541      -98.2  
1 1 1 13 18 52 o 11.04000       1.380000      365.3500      13.6   
1 1 1 13 18 53 o 1.056000       1.323000      283.9799      11.1   
1 1 1 13 18 54 o 3.223000       1.363000      109.1072      83.1   
1 1 1 13 18 55 o 2.012000       1.656000      232.5690      -172.9 
1 1 1 13 18 56 o 3.571000       1.695000      ?             ?      
1 1 1 13 18 57 o 1.481000       1.471000      ?             ?      
1 1 1 13 18 58 o -0.5540000E-01 1.418000      ?             ?      
1 1 1 13 18 59 o 2.780000       1.283000      ?             ?      
1 1 1 13 18 60 o 5.492000       1.313000      ?             ?      
1 1 1 13 18 61 o 1.851000       1.279000      ?             ?      
1 1 1 13 18 62 o 1.482000       1.280000      ?             ?      
1 1 1 13 18 63 f -1.267000      1.286000      ?             ?      
1 1 1 13 18 64 o 4.578000       1.302000      ?             ?      
1 1 1 13 18 65 o 2.733000       1.326000      ?             ?      
1 1 1 13 18 66 o 0.8886000      1.302000      ?             ?      
1 1 1 13 18 67 o 0.9669000      1.317000      ?             ?      
1 1 1 13 18 68 o 1.832000       1.335000      ?             ?      
1 1 1 13 18 69 o 1.336000       1.504000      ?             ?      
1 1 1 13 18 70 o 5.027000       1.806000      ?             ?      
1 1 1 13 18 71 o -1.416000      1.498000      ?             ?      
1 1 1 13 18 72 o -0.8991000     2.303000      ?             ?      
1 1 1 13 19 0  o 9.518000       0.8361000     524.5805      -90.0  
1 1 1 13 19 1  o 19.27000       0.7684000     614.1004      -117.4 
1 1 1 13 19 2  o 7.890000       0.8235000     522.2916      74.2   
1 1 1 13 19 3  o 3.737000       0.7659000     336.1244      -72.5  
1 1 1 13 19 4  o 15.59000       0.8347000     273.0358      -24.2  
1 1 1 13 19 5  o 2.869000       0.6137000     452.7596      69.2   
1 1 1 13 19 6  o 3.100000       0.6681000     240.2742      -62.0  
1 1 1 13 19 7  o -0.4899000     0.8659000     222.6885      161.2  
1 1 1 13 19 8  o 9.386000       1.003000      567.1945      109.7  
1 1 1 13 19 9  o -0.6218000     0.8496000     173.6371      120.5  
1 1 1 13 19 10 o 1.975000       0.8804000     207.5019      -169.0 
1 1 1 13 19 11 o 7.844000       0.9455000     647.7177      13.6   
1 1 1 13 19 12 f 85.30000       2.593000      1191.383      -86.1  
1 1 1 13 19 13 o 0.7183000      0.9891000     218.1374      59.1   
1 1 1 13 19 14 o 16.62000       1.094000      444.4778      92.3   
1 1 1 13 19 15 o 8.097000       1.042000      509.4646      -87.7  
1 1 1 13 19 16 o 12.44000       1.333000      314.1078      -129.4 
1 1 1 13 19 17 o 69.10000       1.978000      1115.554      -34.6  
1 1 1 13 19 18 o 2.403000       0.8863000     377.5267      12.6   
1 1 1 13 19 19 o 4.019000       0.9519000     237.9098      -75.6  
1 1 1 13 19 20 o 0.8154000      1.038000      255.3950      -39.6  
1 1 1 13 19 21 o 18.18000       1.257000      653.5258      -70.9  
1 1 1 13 19 22 o 2.368000       1.010000      88.45202      -92.3  
1 1 1 13 19 23 o 3.486000       0.9762000     159.0753      77.3   
1 1 1 13 19 24 o 16.22000       1.060000      441.8026      -145.8 
1 1 1 13 19 25 o 16.94000       1.050000      447.1494      -169.5 
1 1 1 13 19 26 o 3.325000       0.9430000     103.7141      -62.5  
1 1 1 13 19 27 o 0.9023000      0.9233000     189.1932      -168.9 
1 1 1 13 19 28 o 2.136000       0.9226000     261.1770      148.5  
1 1 1 13 19 29 o 6.442000       0.9456000     186.5207      162.0  
1 1 1 13 19 30 o 2.354000       0.9206000     78.22710      -123.5 
1 1 1 13 19 31 o 7.070000       0.9642000     67.86371      -83.0  
1 1 1 13 19 32 o 1.830000       0.9526000     266.0862      -95.2  
1 1 1 13 19 33 o 6.911000       0.9830000     227.9840      115.6  
1 1 1 13 19 34 o 3.507000       1.005000      287.5898      -66.0  
1 1 1 13 19 35 o 0.5691000      0.9639000     203.4932      38.2   
1 1 1 13 19 36 o 9.650000       1.140000      520.3351      -108.0 
1 1 1 13 19 37 o 0.4822000      1.185000      110.9194      -76.5  
1 1 1 13 19 38 o 0.5282000      1.228000      224.6614      -164.7 
1 1 1 13 19 39 o 0.3603000      1.709000      127.9596      -110.1 
1 1 1 13 19 40 o 12.33000       1.676000      459.9511      178.8  
1 1 1 13 19 41 o 6.088000       1.210000      329.0434      72.5   
1 1 1 13 19 42 o -0.1561000E-01 1.056000      146.1328      147.4  
1 1 1 13 19 43 o 6.191000       1.102000      479.4721      -90.8  
1 1 1 13 19 44 o 6.679000       1.138000      379.2142      63.1   
1 1 1 13 19 45 o 3.775000       1.117000      271.2860      80.6   
1 1 1 13 19 46 o 1.929000       1.142000      127.7492      -15.3  
1 1 1 13 19 47 o 3.655000       1.158000      213.4227      -164.1 
1 1 1 13 19 48 o 5.504000       1.198000      345.4943      -73.5  
1 1 1 13 19 49 o 3.641000       1.221000      64.32418      -93.8  
1 1 1 13 19 50 o 5.135000       1.260000      157.6847      143.0  
1 1 1 13 19 51 o 4.716000       1.291000      269.9881      -167.4 
1 1 1 13 19 52 o 1.523000       1.302000      98.20863      4.2    
1 1 1 13 19 53 o 1.136000       1.306000      175.5021      144.7  
1 1 1 13 19 54 o -1.250000      1.427000      61.36325      -21.8  
1 1 1 13 19 55 o 1.630000       2.005000      192.2663      49.0   
1 1 1 13 19 56 o 0.4184000      1.770000      ?             ?      
1 1 1 13 19 57 o 0.7478000      1.686000      ?             ?      
1 1 1 13 19 58 o 0.9828000      1.523000      ?             ?      
1 1 1 13 19 59 o 0.9458000      1.389000      ?             ?      
1 1 1 13 19 60 o -1.088000      1.263000      ?             ?      
1 1 1 13 19 61 o 0.7691000      1.259000      ?             ?      
1 1 1 13 19 62 o 2.615000       1.288000      ?             ?      
1 1 1 13 19 63 o 1.954000       1.290000      ?             ?      
1 1 1 13 19 64 o 2.911000       1.304000      ?             ?      
1 1 1 13 19 65 o 0.6821000      1.285000      ?             ?      
1 1 1 13 19 66 o 0.7141000      1.291000      ?             ?      
1 1 1 13 19 67 o 3.110000       1.315000      ?             ?      
1 1 1 13 19 68 o 0.2097000      1.477000      ?             ?      
1 1 1 13 19 69 o 2.721000       1.673000      ?             ?      
1 1 1 13 19 70 o -2.552000      1.758000      ?             ?      
1 1 1 13 19 71 o 0.2009000      1.846000      ?             ?      
1 1 1 13 19 72 o 0.9719000      2.746000      ?             ?      
1 1 1 13 20 0  o -1.229000      0.9519000     33.99496      -90.0  
1 1 1 13 20 1  o 10.32000       0.8033000     460.9548      17.3   
1 1 1 13 20 2  o 8.050000       0.6383000     305.1418      28.5   
1 1 1 13 20 3  o 1.636000       0.5885000     142.5137      -37.1  
1 1 1 13 20 4  o 4.600000       0.6829000     268.5363      49.2   
1 1 1 13 20 5  o 0.1556000      0.7142000     60.35276      -45.8  
1 1 1 13 20 6  o 18.46000       1.057000      421.1213      -106.0 
1 1 1 13 20 7  o 2.721000       1.096000      408.5407      -95.7  
1 1 1 13 20 8  o 28.40000       1.288000      604.6587      100.1  
1 1 1 13 20 9  o 7.799000       1.049000      277.1432      18.3   
1 1 1 13 20 10 o -0.7054000     0.9497000     91.58113      176.8  
1 1 1 13 20 11 o 3.909000       0.9722000     150.9002      179.2  
1 1 1 13 20 12 o 1.234000       1.035000      373.4762      -1.6   
1 1 1 13 20 13 o 25.83000       1.268000      604.7446      -7.5   
1 1 1 13 20 14 o 3.635000       1.070000      222.2434      165.1  
1 1 1 13 20 15 o -0.3937000     1.054000      203.2418      157.2  
1 1 1 13 20 16 o 5.512000       1.122000      387.6965      169.2  
1 1 1 13 20 17 o 19.29000       1.557000      505.6294      18.3   
1 1 1 13 20 18 o 17.82000       1.124000      579.0254      78.3   
1 1 1 13 20 19 o 1.820000       1.048000      250.2002      154.7  
1 1 1 13 20 20 o 1.612000       1.046000      247.9519      -8.3   
1 1 1 13 20 21 o 5.484000       1.021000      213.5911      176.4  
1 1 1 13 20 22 o 3.619000       0.9556000     117.7682      -8.9   
1 1 1 13 20 23 o 3.785000       0.9498000     276.0427      38.5   
1 1 1 13 20 24 o 2.410000       0.9488000     219.7549      -71.4  
1 1 1 13 20 25 o 1.728000       0.9182000     130.5579      165.1  
1 1 1 13 20 26 o 0.4163000      0.9180000     195.1991      -165.0 
1 1 1 13 20 27 o 3.064000       0.9156000     206.5216      67.0   
1 1 1 13 20 28 o 2.913000       0.9088000     213.8121      19.9   
1 1 1 13 20 29 o 0.4270000      0.9006000     144.9743      -83.9  
1 1 1 13 20 30 o 5.678000       0.9306000     30.09318      -44.1  
1 1 1 13 20 31 o 2.913000       0.9174000     366.7492      38.5   
1 1 1 13 20 32 o 1.556000       0.9317000     148.6140      -130.8 
1 1 1 13 20 33 o 1.565000       0.9414000     124.6937      -137.5 
1 1 1 13 20 34 o -0.1056000     0.9390000     175.3000      -93.6  
1 1 1 13 20 35 o 2.101000       0.9626000     91.06055      -141.9 
1 1 1 13 20 36 o 1.646000       0.9831000     136.4763      139.2  
1 1 1 13 20 37 o 4.168000       1.133000      267.9659      -6.1   
1 1 1 13 20 38 o 1.881000       1.412000      82.79256      38.5   
1 1 1 13 20 39 o 7.264000       1.418000      308.6681      -115.7 
1 1 1 13 20 40 o 4.236000       1.247000      100.2613      54.1   
1 1 1 13 20 41 o 3.713000       1.306000      173.2279      39.6   
1 1 1 13 20 42 o 1.795000       1.179000      172.9052      164.6  
1 1 1 13 20 43 o 1.166000       1.197000      103.7385      -112.7 
1 1 1 13 20 44 o 0.5614000      1.102000      169.6696      -11.7  
1 1 1 13 20 45 o -1.124000      1.124000      121.7724      -125.6 
1 1 1 13 20 46 o 4.419000       1.185000      219.8273      -95.9  
1 1 1 13 20 47 o 5.851000       1.192000      248.9030      -133.7 
1 1 1 13 20 48 o 3.697000       1.210000      256.0502      -34.6  
1 1 1 13 20 49 o 1.593000       1.226000      126.6380      31.2   
1 1 1 13 20 50 o 4.848000       1.275000      81.41827      60.2   
1 1 1 13 20 51 o 0.2970000      1.280000      104.8836      -33.9  
1 1 1 13 20 52 o 4.967000       1.318000      227.4282      -100.6 
1 1 1 13 20 53 o 0.4262000      1.294000      138.7317      160.1  
1 1 1 13 20 54 o 2.428000       1.439000      117.6561      -108.5 
1 1 1 13 20 55 o -0.1812000     1.633000      ?             ?      
1 1 1 13 20 56 o -1.214000      1.499000      ?             ?      
1 1 1 13 20 57 o 0.8253000      1.390000      ?             ?      
1 1 1 13 20 58 o -0.6194000     1.551000      ?             ?      
1 1 1 13 20 59 o 1.262000       1.355000      ?             ?      
1 1 1 13 20 60 o 2.407000       1.352000      ?             ?      
1 1 1 13 20 61 o 0.3697000      1.262000      ?             ?      
1 1 1 13 20 62 o 1.416000       1.267000      ?             ?      
1 1 1 13 20 63 o -0.3196000     1.274000      ?             ?      
1 1 1 13 20 64 o 2.407000       1.285000      ?             ?      
1 1 1 13 20 65 o 0.6920000      1.278000      ?             ?      
1 1 1 13 20 66 o 0.7930000      1.297000      ?             ?      
1 1 1 13 20 67 o -0.9180000     1.302000      ?             ?      
1 1 1 13 20 68 o -0.2576000     1.485000      ?             ?      
1 1 1 13 20 69 o 2.260000       1.749000      ?             ?      
1 1 1 13 20 70 o 1.942000       1.515000      ?             ?      
1 1 1 13 20 71 o 0.1019000      1.604000      ?             ?      
1 1 1 13 21 1  o 2.747000       0.7270000     67.67564      -125.0 
1 1 1 13 21 2  o 1.777000       0.6209000     197.6981      85.4   
1 1 1 13 21 3  o 1.273000       0.6587000     190.9636      -70.5  
1 1 1 13 21 4  o -1.050000      0.7377000     110.6885      -7.1   
1 1 1 13 21 5  o 1.021000       0.6840000     126.8985      -136.7 
1 1 1 13 21 6  o -2.207000      0.7177000     86.37187      97.1   
1 1 1 13 21 7  o 0.7920000      1.373000      330.0068      47.1   
1 1 1 13 21 8  o -2.728000      2.196000      148.8293      -49.1  
1 1 1 13 21 9  o -0.9376000     1.479000      233.1777      -94.0  
1 1 1 13 21 10 o 0.1937000      1.105000      123.9256      -134.0 
1 1 1 13 21 11 o 1.117000       1.044000      138.1044      84.0   
1 1 1 13 21 12 o 1.499000       1.091000      116.3602      -57.8  
1 1 1 13 21 13 o 0.2870000      1.114000      138.4301      125.9  
1 1 1 13 21 14 o 2.937000       1.123000      96.83293      -117.3 
1 1 1 13 21 15 o 2.273000       1.205000      141.3712      -122.2 
1 1 1 13 21 16 o -0.5714000     1.155000      125.2322      -98.4  
1 1 1 13 21 17 o -0.4453000     1.195000      155.2849      -113.4 
1 1 1 13 21 18 o 1.393000       1.404000      209.9401      -21.8  
1 1 1 13 21 19 o 2.807000       1.087000      211.8799      -138.4 
1 1 1 13 21 20 o 3.047000       1.054000      264.3231      103.9  
1 1 1 13 21 21 o 3.117000       0.9892000     298.7661      22.5   
1 1 1 13 21 22 o 3.032000       0.9328000     207.3277      106.7  
1 1 1 13 21 23 o 0.6358000      0.9326000     175.4147      118.3  
1 1 1 13 21 24 o 2.422000       0.9457000     266.2287      169.8  
1 1 1 13 21 25 o 2.173000       0.9175000     121.1630      -60.9  
1 1 1 13 21 26 o 1.831000       0.9040000     71.32536      4.0    
1 1 1 13 21 27 o 2.470000       0.9096000     104.0271      108.2  
1 1 1 13 21 28 o 5.660000       0.9174000     100.8564      112.6  
1 1 1 13 21 29 o 0.9665000      0.8742000     206.1114      140.0  
1 1 1 13 21 30 o -0.1160000     0.8774000     100.1307      -7.9   
1 1 1 13 21 31 o 2.853000       0.9331000     220.9964      -127.5 
1 1 1 13 21 32 o 4.687000       0.9459000     189.2412      -126.5 
1 1 1 13 21 33 o 1.429000       0.9306000     64.47418      -45.5  
1 1 1 13 21 34 o 7.957000       1.009000      225.9426      -54.7  
1 1 1 13 21 35 o 3.230000       0.9789000     181.8398      42.9   
1 1 1 13 21 36 o -0.3037000     0.9690000     72.65440      101.5  
1 1 1 13 21 37 o 3.581000       1.223000      285.5337      136.3  
1 1 1 13 21 38 o 4.738000       1.757000      193.9250      128.3  
1 1 1 13 21 39 o 4.589000       1.349000      173.7712      26.0   
1 1 1 13 21 40 o 0.6180000      1.192000      177.4477      47.1   
1 1 1 13 21 41 o 1.771000       1.306000      181.0456      166.7  
1 1 1 13 21 42 o 1.864000       1.200000      95.15090      -15.9  
1 1 1 13 21 43 o -0.4711000     1.085000      110.9255      59.3   
1 1 1 13 21 44 o -0.4838000E-01 1.106000      142.5403      132.7  
1 1 1 13 21 45 o 11.94000       1.353000      272.9402      36.7   
1 1 1 13 21 46 o -1.000000      1.153000      78.58533      21.5   
1 1 1 13 21 47 o 0.1341000      1.167000      97.20284      -102.1 
1 1 1 13 21 48 o 4.257000       1.224000      108.9433      -92.2  
1 1 1 13 21 49 o 4.134000       1.261000      119.1349      -68.4  
1 1 1 13 21 50 o 4.772000       1.291000      213.0251      -100.8 
1 1 1 13 21 51 o -0.5945000E-01 1.284000      182.3138      -166.1 
1 1 1 13 21 52 o 0.6527000      1.307000      37.86479      -65.7  
1 1 1 13 21 53 o 0.1219000E-01  1.419000      167.4864      -47.7  
1 1 1 13 21 54 o 4.897000       1.691000      135.9923      -28.6  
1 1 1 13 21 55 o 1.180000       1.410000      ?             ?      
1 1 1 13 21 56 o 2.250000       1.415000      ?             ?      
1 1 1 13 21 57 o 3.129000       1.388000      ?             ?      
1 1 1 13 21 58 o 3.414000       1.663000      ?             ?      
1 1 1 13 21 59 o 2.343000       1.481000      ?             ?      
1 1 1 13 21 60 o 0.1292000      1.344000      ?             ?      
1 1 1 13 21 61 o 2.071000       1.265000      ?             ?      
1 1 1 13 21 62 o 0.1383000      1.233000      ?             ?      
1 1 1 13 21 63 o 1.499000       1.274000      ?             ?      
1 1 1 13 21 64 o 2.846000       1.286000      ?             ?      
1 1 1 13 21 65 o 1.984000       1.270000      ?             ?      
1 1 1 13 21 66 o 0.9079000      1.285000      ?             ?      
1 1 1 13 21 67 o 2.206000       1.666000      ?             ?      
1 1 1 13 21 68 o 1.525000       2.204000      ?             ?      
1 1 1 13 21 69 o 2.591000       1.740000      ?             ?      
1 1 1 13 21 70 o 2.577000       1.489000      ?             ?      
1 1 1 13 21 71 o 3.137000       2.313000      ?             ?      
1 1 1 13 22 0  o 2.303000       0.9057000     143.7195      90.0   
1 1 1 13 22 1  o -1.942000      0.6671000     217.6421      -73.3  
1 1 1 13 22 2  o -0.1635000     0.6274000     36.37919      176.1  
1 1 1 13 22 3  o -0.7367000E-02 0.6528000     219.6862      168.6  
1 1 1 13 22 4  o -1.078000      0.7153000     118.9108      45.1   
1 1 1 13 22 5  o 1.206000       0.7635000     181.5755      -115.4 
1 1 1 13 22 6  o -1.218000      1.205000      93.28012      65.8   
1 1 1 13 22 7  o -0.1344000E-01 1.124000      155.5261      82.8   
1 1 1 13 22 8  o 0.1119000      1.030000      152.4754      118.3  
1 1 1 13 22 9  o 0.5441000      1.313000      151.9569      24.2   
1 1 1 13 22 10 o -0.2097000     1.303000      242.1590      124.5  
1 1 1 13 22 11 o -0.5461000     1.130000      219.3823      -138.2 
1 1 1 13 22 12 o 1.931000       1.368000      228.2032      169.6  
1 1 1 13 22 13 o -0.3202000     1.118000      156.1753      80.5   
1 1 1 13 22 14 o 2.291000       1.169000      115.2679      -79.4  
1 1 1 13 22 15 o 1.673000       1.213000      82.55210      -113.5 
1 1 1 13 22 16 o 0.7521000      1.376000      86.17116      -99.1  
1 1 1 13 22 17 o 1.123000       1.444000      118.2405      78.0   
1 1 1 13 22 18 o 3.850000       1.548000      345.8647      -64.7  
1 1 1 13 22 19 o 0.7034000      1.353000      235.5409      158.9  
1 1 1 13 22 20 o 2.622000       0.9939000     270.7412      89.9   
1 1 1 13 22 21 o 1.256000       0.9527000     163.0937      -131.3 
1 1 1 13 22 22 o 1.072000       0.9406000     317.4890      -125.0 
1 1 1 13 22 23 o 3.342000       0.9323000     281.5689      80.1   
1 1 1 13 22 24 o -0.3269000     0.9055000     72.76585      105.8  
1 1 1 13 22 25 o 0.8025000      0.9089000     190.5664      -130.5 
1 1 1 13 22 26 o 4.096000       0.9130000     213.5792      -162.9 
1 1 1 13 22 27 o 3.162000       0.8825000     255.6898      52.3   
1 1 1 13 22 28 o 0.1370000      0.8682000     84.45115      -84.2  
1 1 1 13 22 29 o 3.671000       1.041000      18.62251      178.3  
1 1 1 13 22 30 o 0.2921000      0.8698000     82.17658      80.6   
1 1 1 13 22 31 o 2.251000       0.9163000     163.5083      176.5  
1 1 1 13 22 32 o -0.1668000     0.9189000     75.18007      34.8   
1 1 1 13 22 33 o 1.474000       0.9326000     64.01441      -33.0  
1 1 1 13 22 34 o 4.843000       0.9782000     219.9716      -64.2  
1 1 1 13 22 35 o -0.4743000     0.9497000     54.45018      145.3  
1 1 1 13 22 36 o 1.496000       1.003000      141.8306      -159.5 
1 1 1 13 22 37 o 0.1172000      1.103000      53.20340      -113.0 
1 1 1 13 22 38 o 3.070000       1.321000      144.7450      -88.4  
1 1 1 13 22 39 o 0.7158000      1.273000      173.7576      -93.3  
1 1 1 13 22 40 o 4.788000       1.199000      184.7891      142.5  
1 1 1 13 22 41 o 0.1150000      1.204000      65.50730      116.7  
1 1 1 13 22 42 o 0.2105000E-01  1.325000      170.3581      -140.7 
1 1 1 13 22 43 o -0.3159000     1.226000      173.5879      64.7   
1 1 1 13 22 44 o 0.6870000      1.129000      147.7606      99.9   
1 1 1 13 22 45 o 1.035000       1.146000      26.74580      -58.6  
1 1 1 13 22 46 o -1.134000      1.153000      72.96036      -158.2 
1 1 1 13 22 47 o 3.182000       1.188000      73.01997      119.8  
1 1 1 13 22 48 o 4.360000       1.234000      155.2260      -6.9   
1 1 1 13 22 49 o 1.103000       1.249000      92.01601      -130.0 
1 1 1 13 22 50 o 4.196000       1.287000      134.2761      11.6   
1 1 1 13 22 51 o -0.7852000     1.280000      44.06070      -143.4 
1 1 1 13 22 52 o 4.265000       1.349000      160.5361      -22.8  
1 1 1 13 22 53 o 2.392000       1.438000      85.21243      78.1   
1 1 1 13 22 54 o 0.3106000      1.434000      ?             ?      
1 1 1 13 22 55 o -0.9145000     1.256000      ?             ?      
1 1 1 13 22 56 o 1.993000       1.414000      ?             ?      
1 1 1 13 22 57 o 0.8574000      1.505000      ?             ?      
1 1 1 13 22 58 o 0.8107000      1.353000      ?             ?      
1 1 1 13 22 59 o -1.326000      1.362000      ?             ?      
1 1 1 13 22 60 o 0.2831000      1.343000      ?             ?      
1 1 1 13 22 61 o 0.4618000      1.236000      ?             ?      
1 1 1 13 22 62 o 4.694000       1.291000      ?             ?      
1 1 1 13 22 63 o 2.547000       1.270000      ?             ?      
1 1 1 13 22 64 o 0.6831000E-01  1.251000      ?             ?      
1 1 1 13 22 65 o 0.9686000      1.366000      ?             ?      
1 1 1 13 22 66 o -1.365000      1.381000      ?             ?      
1 1 1 13 22 67 o -0.4760000     1.618000      ?             ?      
1 1 1 13 22 68 o -0.7708000     1.687000      ?             ?      
1 1 1 13 22 69 o 1.496000       1.471000      ?             ?      
1 1 1 13 22 70 o 0.7608000      1.482000      ?             ?      
1 1 1 13 23 0  o 0.4904000E-02  1.393000      616.9997      90.0   
1 1 1 13 23 1  o 0.1346000      0.7074000     230.7697      127.1  
1 1 1 13 23 2  o 4.515000       0.8478000     374.0680      13.5   
1 1 1 13 23 3  o 5.924000       0.7798000     439.1979      -104.8 
1 1 1 13 23 4  o 6.788000       0.8733000     509.6108      -14.4  
1 1 1 13 23 5  o 2.657000       0.7992000     396.6963      147.5  
1 1 1 13 23 6  o 3.000000       0.8340000     268.5709      161.8  
1 1 1 13 23 7  o 2.370000       0.9142000     188.7934      85.2   
1 1 1 13 23 8  o -1.049000      1.131000      99.17944      165.2  
1 1 1 13 23 9  o -0.9265000     1.141000      326.6498      66.3   
1 1 1 13 23 10 o 4.269000       1.372000      309.1051      79.0   
1 1 1 13 23 11 o 2.800000       1.359000      235.9841      -36.1  
1 1 1 13 23 12 o 4.295000       1.465000      429.5868      -15.0  
1 1 1 13 23 13 o 2.699000       1.394000      220.7707      -80.3  
1 1 1 13 23 14 o 3.975000       1.471000      176.3589      -169.9 
1 1 1 13 23 15 o 8.703000       1.596000      566.1561      -15.8  
1 1 1 13 23 16 o 0.2377000      1.285000      179.8372      -109.4 
1 1 1 13 23 17 o 2.666000       1.744000      273.8625      -153.6 
1 1 1 13 23 18 o 2.853000       1.586000      229.4784      -124.7 
1 1 1 13 23 19 f -0.6388000     1.547000      200.6996      -41.4  
1 1 1 13 23 20 o 8.718000       1.473000      276.4931      24.0   
1 1 1 13 23 21 o 4.379000       0.9429000     229.0794      33.8   
1 1 1 13 23 22 o 2.821000       0.9305000     249.5568      -110.2 
1 1 1 13 23 23 o 2.988000       0.9145000     264.9410      150.4  
1 1 1 13 23 24 o 2.729000       0.8981000     183.8730      -31.0  
1 1 1 13 23 25 o -0.3783000     0.8820000     114.9667      78.6   
1 1 1 13 23 26 o 3.324000       0.8834000     148.9928      98.7   
1 1 1 13 23 27 o -1.200000      0.8506000     227.5451      164.6  
1 1 1 13 23 28 o 1.786000       0.8634000     171.8500      -86.6  
1 1 1 13 23 29 o 2.303000       0.8757000     198.2663      -53.3  
1 1 1 13 23 30 o 3.258000       0.9010000     352.4265      -92.2  
1 1 1 13 23 31 o -1.503000      0.8899000     88.96553      136.9  
1 1 1 13 23 32 o 3.557000       0.9345000     213.0251      22.8   
1 1 1 13 23 33 o 2.031000       0.9356000     113.1247      106.4  
1 1 1 13 23 34 o 3.722000       0.9538000     149.5106      111.8  
1 1 1 13 23 35 o 4.631000       0.9805000     260.5852      -49.3  
1 1 1 13 23 36 o 1.958000       1.067000      160.0049      38.2   
1 1 1 13 23 37 o 3.583000       1.200000      199.5144      29.3   
1 1 1 13 23 38 o 3.557000       1.308000      202.1698      68.0   
1 1 1 13 23 39 o -0.6007000E-01 1.230000      72.96780      166.9  
1 1 1 13 23 40 o 4.716000       1.195000      245.2958      145.8  
1 1 1 13 23 41 o -0.5286000     1.090000      91.09689      -39.9  
1 1 1 13 23 42 o -0.2606000     1.241000      50.13130      -154.1 
1 1 1 13 23 43 o 4.441000       1.279000      197.1652      96.4   
1 1 1 13 23 44 o 3.512000       1.156000      141.2143      52.0   
1 1 1 13 23 45 o 3.752000       1.157000      94.01476      14.5   
1 1 1 13 23 46 o 9.103000       1.220000      394.8253      -123.9 
1 1 1 13 23 47 o 1.958000       1.188000      227.3982      19.6   
1 1 1 13 23 48 o 6.857000       1.262000      199.1071      4.6    
1 1 1 13 23 49 o 1.051000       1.263000      97.59415      -106.4 
1 1 1 13 23 50 o 3.652000       1.288000      231.6797      -71.7  
1 1 1 13 23 51 o -0.3498000E-01 1.275000      82.78925      108.1  
1 1 1 13 23 52 o 2.800000       1.438000      233.6104      -45.4  
1 1 1 13 23 53 o 1.004000       1.605000      125.2748      145.3  
1 1 1 13 23 54 o 0.9162000E-01  1.418000      ?             ?      
1 1 1 13 23 55 o 1.336000       1.283000      ?             ?      
1 1 1 13 23 56 o 1.698000       1.298000      ?             ?      
1 1 1 13 23 57 o 0.8395000      1.396000      ?             ?      
1 1 1 13 23 58 o 0.4210000      1.337000      ?             ?      
1 1 1 13 23 59 o 1.553000       1.363000      ?             ?      
1 1 1 13 23 60 o -0.5307000E-01 1.452000      ?             ?      
1 1 1 13 23 61 o -0.2220000     1.338000      ?             ?      
1 1 1 13 23 62 o 1.557000       1.252000      ?             ?      
1 1 1 13 23 63 o 0.7221000      1.365000      ?             ?      
1 1 1 13 23 64 o 0.1043000E-01  1.247000      ?             ?      
1 1 1 13 23 65 o 0.1655000      1.378000      ?             ?      
1 1 1 13 23 66 o 1.781000       1.415000      ?             ?      
1 1 1 13 23 67 o -1.416000      2.039000      ?             ?      
1 1 1 13 23 68 o 2.978000       2.663000      ?             ?      
1 1 1 13 23 69 o 0.5858000      1.324000      ?             ?      
1 1 1 13 23 70 o 1.059000       1.326000      ?             ?      
1 1 1 13 24 0  o 63.39000       2.636000      1438.914      90.0   
1 1 1 13 24 1  o 14.98000       0.8786000     428.8990      173.2  
1 1 1 13 24 2  o 0.7647000      0.9116000     421.7811      154.2  
1 1 1 13 24 3  o 23.04000       0.9432000     848.4546      112.2  
1 1 1 13 24 4  f 9.810000       0.8198000     486.0841      -63.4  
1 1 1 13 24 5  o 14.63000       0.9171000     601.8571      -122.2 
1 1 1 13 24 6  o 8.591000       0.9166000     498.8086      64.8   
1 1 1 13 24 7  o 8.924000       1.002000      731.2805      173.2  
1 1 1 13 24 8  o 39.92000       1.752000      867.4257      147.2  
1 1 1 13 24 9  o 1.695000       1.248000      155.4371      -124.7 
1 1 1 13 24 10 o 21.74000       1.664000      801.6332      -154.1 
1 1 1 13 24 11 o -0.3347000     1.216000      140.6736      -143.8 
1 1 1 13 24 12 o 42.99000       2.168000      882.0452      42.1   
1 1 1 13 24 13 o -1.896000      1.237000      64.26900      179.9  
1 1 1 13 24 14 o 4.734000       1.229000      380.7086      41.7   
1 1 1 13 24 15 o 0.6536000      1.155000      120.2179      -151.2 
1 1 1 13 24 16 o 17.99000       1.634000      896.0938      -26.9  
1 1 1 13 24 17 o 2.132000       2.141000      269.5035      32.6   
1 1 1 13 24 18 o 1.455000       1.766000      243.0324      -61.4  
1 1 1 13 24 19 o 41.38000       2.041000      969.2624      138.9  
1 1 1 13 24 20 o 5.132000       1.311000      126.1848      -77.5  
1 1 1 13 24 21 o 23.63000       1.442000      727.8290      -117.5 
1 1 1 13 24 22 o 20.59000       1.099000      652.0289      -138.4 
1 1 1 13 24 23 f 8.014000       0.9347000     499.6625      50.8   
1 1 1 13 24 24 o 5.288000       1.129000      348.0964      -92.9  
1 1 1 13 24 25 o 6.480000       0.8945000     226.3809      99.6   
1 1 1 13 24 26 o 2.918000       0.8737000     211.4256      -149.6 
1 1 1 13 24 27 o 5.481000       0.8904000     350.2555      106.9  
1 1 1 13 24 28 o 12.24000       0.9737000     549.9818      -120.4 
1 1 1 13 24 29 o 6.841000       0.9148000     335.8478      -33.6  
1 1 1 13 24 30 o 5.059000       0.9087000     270.1202      115.9  
1 1 1 13 24 31 o 23.62000       1.131000      695.5474      84.1   
1 1 1 13 24 32 o 2.711000       0.9290000     215.9738      127.2  
1 1 1 13 24 33 o 1.777000       0.9280000     233.7243      -24.5  
1 1 1 13 24 34 f -0.5098000     0.9294000     288.5558      3.3    
1 1 1 13 24 35 o 8.663000       1.035000      458.1891      94.1   
1 1 1 13 24 36 o 3.133000       1.145000      161.0838      -48.8  
1 1 1 13 24 37 o 4.434000       1.378000      291.1227      -93.9  
1 1 1 13 24 38 o 5.693000       1.076000      367.3850      -143.9 
1 1 1 13 24 39 o 11.20000       1.224000      578.3415      -164.0 
1 1 1 13 24 40 o 0.3622000      1.246000      83.29215      13.4   
1 1 1 13 24 41 o 4.177000       1.215000      171.1445      -21.5  
1 1 1 13 24 42 o 8.706000       1.432000      393.6500      117.9  
1 1 1 13 24 43 o 9.984000       1.470000      374.6947      93.4   
1 1 1 13 24 44 o -1.583000      1.254000      154.8680      34.0   
1 1 1 13 24 45 o 3.598000       1.167000      189.6482      110.0  
1 1 1 13 24 46 o 1.556000       1.187000      207.9755      70.6   
1 1 1 13 24 47 o 2.973000       1.217000      188.3495      124.9  
1 1 1 13 24 48 o 6.464000       1.287000      359.0573      73.0   
1 1 1 13 24 49 o 2.649000       1.272000      245.7793      23.2   
1 1 1 13 24 50 o 2.719000       1.269000      142.4750      169.3  
1 1 1 13 24 51 o 2.529000       1.277000      93.45119      26.2   
1 1 1 13 24 52 o -2.744000      1.392000      100.7394      7.0    
1 1 1 13 24 53 o 1.342000       1.422000      ?             ?      
1 1 1 13 24 54 o -0.1954000     1.279000      ?             ?      
1 1 1 13 24 55 o 2.163000       1.271000      ?             ?      
1 1 1 13 24 56 o 1.403000       1.256000      ?             ?      
1 1 1 13 24 57 o -1.795000      1.386000      ?             ?      
1 1 1 13 24 58 o -2.176000      1.447000      ?             ?      
1 1 1 13 24 59 o 0.7094000      1.359000      ?             ?      
1 1 1 13 24 60 o -1.714000      1.338000      ?             ?      
1 1 1 13 24 61 o 0.4274000      1.352000      ?             ?      
1 1 1 13 24 62 o 4.824000       1.298000      ?             ?      
1 1 1 13 24 63 o 0.6304000      1.369000      ?             ?      
1 1 1 13 24 64 o -0.8316000     1.228000      ?             ?      
1 1 1 13 24 65 o 2.373000       1.381000      ?             ?      
1 1 1 13 24 66 o -0.9690000E-01 1.614000      ?             ?      
1 1 1 13 24 67 o 1.875000       1.675000      ?             ?      
1 1 1 13 24 68 o 3.813000       1.325000      ?             ?      
1 1 1 13 24 69 o -0.7334000     1.319000      ?             ?      
1 1 1 13 24 70 o 6.310000       2.667000      ?             ?      
1 1 1 13 25 0  f 16.43000       1.312000      760.2878      90.0   
1 1 1 13 25 1  o 63.26000       1.788000      1311.665      157.5  
1 1 1 13 25 2  o 20.04000       0.9403000     743.4805      5.2    
1 1 1 13 25 3  o 18.50000       0.9283000     956.0634      -172.1 
1 1 1 13 25 4  o 0.7898000      0.8066000     214.8231      -134.9 
1 1 1 13 25 5  o 5.754000       0.8769000     262.9938      84.8   
1 1 1 13 25 6  o 13.57000       0.9914000     547.9680      -126.0 
1 1 1 13 25 7  o 27.67000       1.246000      523.1295      153.2  
1 1 1 13 25 8  o 9.387000       1.300000      354.9586      -106.7 
1 1 1 13 25 9  o 50.62000       2.316000      1099.878      15.9   
1 1 1 13 25 10 o 54.41000       1.901000      1209.801      55.1   
1 1 1 13 25 11 o 9.065000       1.162000      497.4947      -31.9  
1 1 1 13 25 12 o 4.390000       1.265000      481.6368      126.9  
1 1 1 13 25 13 f 31.07000       1.421000      734.1983      133.7  
1 1 1 13 25 14 o 5.254000       1.202000      409.4023      -18.7  
1 1 1 13 25 15 o 13.76000       1.435000      401.3447      -135.0 
1 1 1 13 25 16 o 31.73000       1.705000      1041.794      -123.9 
1 1 1 13 25 17 o 24.70000       1.700000      621.6445      -97.8  
1 1 1 13 25 18 o 10.33000       2.133000      487.3997      -110.1 
1 1 1 13 25 19 o 35.87000       2.522000      861.9204      30.1   
1 1 1 13 25 20 o 12.69000       1.562000      627.0588      -45.4  
1 1 1 13 25 21 o 11.59000       1.467000      702.8777      28.2   
1 1 1 13 25 22 o -0.1565000     0.9509000     245.3299      59.0   
1 1 1 13 25 23 o 44.49000       1.405000      780.9717      59.8   
1 1 1 13 25 24 o 58.75000       1.646000      937.0499      -130.3 
1 1 1 13 25 25 o 0.6733000      0.8724000     297.4262      -27.8  
1 1 1 13 25 26 o 2.981000       0.8689000     294.9806      6.2    
1 1 1 13 25 27 o 26.08000       1.103000      901.4417      -24.0  
1 1 1 13 25 28 o -0.3178000     0.8819000     155.7112      -171.6 
1 1 1 13 25 29 o -0.2507000     0.8759000     226.5732      151.6  
1 1 1 13 25 30 o 14.79000       0.9913000     483.5996      -168.7 
1 1 1 13 25 31 o 5.734000       0.9389000     373.5225      134.1  
1 1 1 13 25 32 o 5.288000       0.9510000     378.1673      -73.0  
1 1 1 13 25 33 o 16.50000       1.055000      539.5177      -73.2  
1 1 1 13 25 34 o 2.972000       0.9495000     136.2678      -135.5 
1 1 1 13 25 35 o 5.965000       1.058000      376.8878      -27.0  
1 1 1 13 25 36 o 3.501000       1.158000      259.9798      104.5  
1 1 1 13 25 37 o 0.1755000      1.051000      167.8758      -169.8 
1 1 1 13 25 38 o 6.465000       1.054000      383.9120      -72.6  
1 1 1 13 25 39 o 2.614000       1.156000      199.6576      61.6   
1 1 1 13 25 40 o 1.772000       1.267000      246.2990      -115.4 
1 1 1 13 25 41 o 2.850000       1.201000      95.93373      121.6  
1 1 1 13 25 42 o 1.702000       1.139000      154.1526      -155.0 
1 1 1 13 25 43 o 3.274000       1.303000      310.2704      -103.2 
1 1 1 13 25 44 o 5.811000       1.454000      342.5753      -80.0  
1 1 1 13 25 45 o 11.84000       1.543000      564.5554      119.5  
1 1 1 13 25 46 o 5.384000       1.231000      370.9533      -115.7 
1 1 1 13 25 47 o 11.71000       1.451000      584.4977      95.7   
1 1 1 13 25 48 o 0.1597000      1.266000      155.8903      -67.5  
1 1 1 13 25 49 o 2.219000       1.258000      111.8670      -142.1 
1 1 1 13 25 50 o 6.254000       1.292000      233.6988      -28.7  
1 1 1 13 25 51 o 2.541000       1.384000      146.2762      -159.2 
1 1 1 13 25 52 o 6.115000       1.622000      323.2869      -140.5 
1 1 1 13 25 53 o -0.3617000E-01 1.402000      ?             ?      
1 1 1 13 25 54 o 3.272000       1.265000      ?             ?      
1 1 1 13 25 55 o 2.122000       1.254000      ?             ?      
1 1 1 13 25 56 o 1.027000       1.243000      ?             ?      
1 1 1 13 25 57 o 1.704000       1.237000      ?             ?      
1 1 1 13 25 58 o 0.3267000      1.347000      ?             ?      
1 1 1 13 25 59 o 3.866000       1.494000      ?             ?      
1 1 1 13 25 60 o 0.2948000      1.383000      ?             ?      
1 1 1 13 25 61 o 2.664000       1.481000      ?             ?      
1 1 1 13 25 62 o 0.3731000E-01  1.369000      ?             ?      
1 1 1 13 25 63 o -0.9037000     1.344000      ?             ?      
1 1 1 13 25 64 o 1.207000       1.384000      ?             ?      
1 1 1 13 25 65 o 3.020000       1.604000      ?             ?      
1 1 1 13 25 66 o -0.8638000     1.644000      ?             ?      
1 1 1 13 25 67 o 2.571000       1.448000      ?             ?      
1 1 1 13 25 68 o 1.627000       1.806000      ?             ?      
1 1 1 13 25 69 o 0.6819000      1.316000      ?             ?      
1 1 1 13 26 0  o 76.62000       2.593000      1249.142      -90.0  
1 1 1 13 26 1  o 22.10000       1.011000      895.3813      -103.6 
1 1 1 13 26 2  o 3.755000       0.8434000     408.9749      -60.2  
1 1 1 13 26 3  o 61.47000       1.558000      606.7775      58.6   
1 1 1 13 26 4  o 3.971000       0.8579000     329.4619      -122.8 
1 1 1 13 26 5  o 12.29000       0.9520000     565.0085      -25.9  
1 1 1 13 26 6  o 9.732000       0.9697000     504.9618      -110.2 
1 1 1 13 26 7  o 13.41000       1.081000      423.2805      120.6  
1 1 1 13 26 8  o 83.37000       2.844000      1260.644      90.0   
1 1 1 13 26 9  o 0.8429000      1.230000      87.30845      -179.1 
1 1 1 13 26 10 o 25.62000       1.434000      775.5795      146.1  
1 1 1 13 26 11 o 12.38000       1.265000      525.7366      -176.5 
1 1 1 13 26 12 o 16.44000       1.209000      269.8880      -14.2  
1 1 1 13 26 13 o 6.700000       1.211000      379.9374      114.6  
1 1 1 13 26 14 o 26.03000       1.301000      695.1094      -27.8  
1 1 1 13 26 15 o -1.685000      1.079000      163.8357      -7.2   
1 1 1 13 26 16 o 12.75000       1.446000      810.9963      -4.6   
1 1 1 13 26 17 o 35.14000       1.751000      783.5740      109.8  
1 1 1 13 26 18 o 8.852000       1.528000      340.8952      178.5  
1 1 1 13 26 19 o 2.885000       1.459000      374.0198      78.7   
1 1 1 13 26 20 o 22.56000       1.440000      755.2388      -108.3 
1 1 1 13 26 21 o 6.803000       1.417000      499.8798      117.3  
1 1 1 13 26 22 o 10.70000       1.413000      390.0113      63.8   
1 1 1 13 26 23 o 10.21000       1.057000      481.5816      -78.4  
1 1 1 13 26 24 o 72.48000       2.001000      1259.137      85.0   
1 1 1 13 26 25 o 16.41000       0.9898000     589.6248      99.8   
1 1 1 13 26 26 o 4.070000       0.8985000     599.1070      122.2  
1 1 1 13 26 27 o 18.53000       1.039000      687.9991      -160.9 
1 1 1 13 26 28 o 13.04000       0.9722000     487.9308      -46.7  
1 1 1 13 26 29 o 8.574000       0.9231000     422.6740      -8.0   
1 1 1 13 26 30 o 5.194000       0.9064000     235.2467      24.0   
1 1 1 13 26 31 o 9.076000       0.9326000     429.1609      16.5   
1 1 1 13 26 32 o 11.41000       0.9786000     464.3742      64.0   
1 1 1 13 26 33 o 14.90000       1.045000      595.1954      87.9   
1 1 1 13 26 34 o 4.329000       0.9893000     224.4799      42.8   
1 1 1 13 26 35 o 5.725000       1.127000      274.5949      36.4   
1 1 1 13 26 36 o 1.144000       1.086000      131.7969      -127.8 
1 1 1 13 26 37 o 7.487000       1.091000      416.7088      145.5  
1 1 1 13 26 38 o 11.19000       1.092000      428.1150      156.3  
1 1 1 13 26 39 o 12.25000       1.226000      544.6446      -52.7  
1 1 1 13 26 40 o 17.49000       1.323000      626.3232      -48.6  
1 1 1 13 26 41 o 13.67000       1.426000      495.5468      40.5   
1 1 1 13 26 42 o 33.39000       1.585000      840.5209      57.8   
1 1 1 13 26 43 o 5.895000       1.328000      245.8958      101.8  
1 1 1 13 26 44 o 9.855000       1.513000      490.4121      -177.5 
1 1 1 13 26 45 o 3.921000       1.379000      281.7366      128.6  
1 1 1 13 26 46 o 19.09000       1.376000      525.9424      -163.7 
1 1 1 13 26 47 o 1.702000       1.264000      120.3332      -44.8  
1 1 1 13 26 48 o 7.035000       1.296000      306.7821      49.0   
1 1 1 13 26 49 o 0.8579000E-01  1.256000      100.7468      -90.1  
1 1 1 13 26 50 o 3.278000       1.271000      308.7896      161.5  
1 1 1 13 26 51 o 4.997000       1.384000      309.8314      16.3   
1 1 1 13 26 52 o 2.523000       1.391000      ?             ?      
1 1 1 13 26 53 o 5.967000       1.274000      ?             ?      
1 1 1 13 26 54 o 0.6994000      1.249000      ?             ?      
1 1 1 13 26 55 o 11.31000       1.319000      ?             ?      
1 1 1 13 26 56 o 1.436000       1.221000      ?             ?      
1 1 1 13 26 57 o 0.4577000      1.341000      ?             ?      
1 1 1 13 26 58 o 2.108000       1.412000      ?             ?      
1 1 1 13 26 59 o 3.576000       1.769000      ?             ?      
1 1 1 13 26 60 o 0.2082000      1.353000      ?             ?      
1 1 1 13 26 61 o -0.4289000     1.586000      ?             ?      
1 1 1 13 26 62 o 1.488000       1.685000      ?             ?      
1 1 1 13 26 63 o 1.989000       1.375000      ?             ?      
1 1 1 13 26 64 o 1.659000       1.235000      ?             ?      
1 1 1 13 26 65 o 3.783000       1.420000      ?             ?      
1 1 1 13 26 66 o -0.9689000     1.436000      ?             ?      
1 1 1 13 26 67 o -1.543000      1.279000      ?             ?      
1 1 1 13 26 68 o 0.4599000      1.300000      ?             ?      
1 1 1 13 26 69 o 0.4595000      1.535000      ?             ?      
1 1 1 13 27 0  o 29.58000       1.612000      1098.544      -90.0  
1 1 1 13 27 1  o 83.08000       1.925000      1143.123      55.2   
1 1 1 13 27 2  o 221.5000       5.001000      1924.566      137.6  
1 1 1 13 27 3  o 23.21000       1.030000      990.3701      -128.2 
1 1 1 13 27 4  o 35.10000       1.286000      825.2273      -151.9 
1 1 1 13 27 5  o 14.00000       0.9856000     436.6530      109.4  
1 1 1 13 27 6  o 23.35000       1.179000      676.2206      -155.1 
1 1 1 13 27 7  o 13.57000       1.084000      659.6589      90.2   
1 1 1 13 27 8  o 7.958000       1.051000      301.6508      -73.7  
1 1 1 13 27 9  o 15.49000       1.293000      698.3941      37.5   
1 1 1 13 27 10 o 47.20000       1.750000      949.4380      144.4  
1 1 1 13 27 11 o 21.84000       1.313000      619.3143      155.3  
1 1 1 13 27 12 o 1.861000       1.132000      281.8319      112.4  
1 1 1 13 27 13 o 0.6750000      1.069000      156.5315      -12.7  
1 1 1 13 27 14 o 50.50000       1.996000      1076.875      170.9  
1 1 1 13 27 15 o 9.573000       1.409000      502.3770      -158.7 
1 1 1 13 27 16 o 56.51000       1.914000      1257.832      -158.8 
1 1 1 13 27 17 o 12.59000       1.483000      468.6060      31.0   
1 1 1 13 27 18 o 26.23000       1.582000      797.4255      162.4  
1 1 1 13 27 19 o 5.965000       1.171000      231.0949      -133.8 
1 1 1 13 27 20 o 12.61000       1.265000      559.1653      -128.9 
1 1 1 13 27 21 o 0.3300000      1.319000      194.8595      -58.4  
1 1 1 13 27 22 o 11.60000       1.200000      554.2470      76.0   
1 1 1 13 27 23 o 19.67000       1.261000      632.6800      115.7  
1 1 1 13 27 24 o 46.44000       1.530000      1069.970      -130.9 
1 1 1 13 27 25 o 17.43000       1.069000      745.8345      156.0  
1 1 1 13 27 26 f 9.563000       0.9803000     344.2239      -61.5  
1 1 1 13 27 27 o 64.91000       1.826000      1021.404      35.8   
1 1 1 13 27 28 o 22.03000       1.062000      664.0275      118.4  
1 1 1 13 27 29 o 1.845000       0.9154000     331.3954      131.2  
1 1 1 13 27 30 o 4.501000       0.9344000     384.6297      36.6   
1 1 1 13 27 31 o 5.923000       0.9341000     316.1957      -4.1   
1 1 1 13 27 32 o 20.68000       1.088000      500.8028      -106.3 
1 1 1 13 27 33 o 3.054000       0.9459000     229.6299      -175.6 
1 1 1 13 27 34 o 12.93000       1.127000      576.3023      167.2  
1 1 1 13 27 35 o 20.01000       1.336000      552.8515      155.3  
1 1 1 13 27 36 o 10.78000       1.251000      543.4905      -162.7 
1 1 1 13 27 37 o 3.225000       1.017000      375.9416      -46.1  
1 1 1 13 27 38 o 3.665000       1.044000      303.2141      38.5   
1 1 1 13 27 39 o 10.45000       1.123000      591.6592      52.9   
1 1 1 13 27 40 o 1.144000       1.197000      84.90426      127.6  
1 1 1 13 27 41 o 9.277000       1.393000      476.7093      3.7    
1 1 1 13 27 42 o 16.83000       1.494000      588.8549      -86.9  
1 1 1 13 27 43 o 2.072000       1.189000      256.2459      -139.4 
1 1 1 13 27 44 o 13.30000       1.441000      427.2757      -80.8  
1 1 1 13 27 45 o 3.676000       1.526000      90.68546      109.4  
1 1 1 13 27 46 o 5.613000       1.430000      255.7224      -89.0  
1 1 1 13 27 47 o 4.402000       1.285000      347.0692      126.6  
1 1 1 13 27 48 o 4.939000       1.422000      374.4475      -50.9  
1 1 1 13 27 49 o 5.325000       1.262000      368.7043      -112.9 
1 1 1 13 27 50 o 3.747000       1.387000      196.7872      101.6  
1 1 1 13 27 51 o 1.664000       1.505000      ?             ?      
1 1 1 13 27 52 o 1.862000       1.367000      ?             ?      
1 1 1 13 27 53 o 2.028000       1.237000      ?             ?      
1 1 1 13 27 54 o 2.168000       1.244000      ?             ?      
1 1 1 13 27 55 o 3.277000       1.373000      ?             ?      
1 1 1 13 27 56 o 3.481000       1.250000      ?             ?      
1 1 1 13 27 57 o 13.20000       1.439000      ?             ?      
1 1 1 13 27 58 o 1.169000       1.236000      ?             ?      
1 1 1 13 27 59 o -0.5588000     1.460000      ?             ?      
1 1 1 13 27 60 o 1.232000       1.467000      ?             ?      
1 1 1 13 27 61 o 3.802000       1.504000      ?             ?      
1 1 1 13 27 62 o 1.335000       1.471000      ?             ?      
1 1 1 13 27 63 o 1.350000       1.356000      ?             ?      
1 1 1 13 27 64 o 0.5967000      1.375000      ?             ?      
1 1 1 13 27 65 o 0.9311000      1.628000      ?             ?      
1 1 1 13 27 66 o 0.3253000      1.437000      ?             ?      
1 1 1 13 27 67 o 0.4562000      1.792000      ?             ?      
1 1 1 13 27 68 o 1.121000       1.297000      ?             ?      
1 1 1 13 28 0  o 124.9000       3.848000      1538.848      -90.0  
1 1 1 13 28 1  o 86.69000       2.119000      1112.078      -113.5 
1 1 1 13 28 2  o 104.0000       2.279000      1325.121      80.6   
1 1 1 13 28 3  o 68.55000       1.697000      1121.008      -84.2  
1 1 1 13 28 4  o 60.51000       1.539000      865.7890      -79.9  
1 1 1 13 28 5  o 15.03000       0.9650000     377.2333      -107.1 
1 1 1 13 28 6  o 33.44000       1.196000      690.0519      50.7   
1 1 1 13 28 7  o 9.831000       0.9698000     505.3351      -69.9  
1 1 1 13 28 8  o 47.57000       1.561000      751.1190      149.6  
1 1 1 13 28 9  o 26.38000       1.480000      572.6995      101.0  
1 1 1 13 28 10 o 17.26000       1.307000      681.3498      -134.6 
1 1 1 13 28 11 o 33.39000       1.489000      609.9212      -30.3  
1 1 1 13 28 12 o 26.47000       1.368000      590.5359      37.9   
1 1 1 13 28 13 o 16.55000       1.168000      529.5535      115.5  
1 1 1 13 28 14 o 6.132000       1.361000      201.0040      -171.7 
1 1 1 13 28 15 o 26.86000       1.606000      877.3099      -90.6  
1 1 1 13 28 16 o 26.64000       1.381000      714.6044      71.1   
1 1 1 13 28 17 o 19.12000       1.504000      610.1680      -145.6 
1 1 1 13 28 18 o 11.19000       1.414000      576.5267      -95.5  
1 1 1 13 28 19 o 22.90000       1.269000      751.7320      -120.7 
1 1 1 13 28 20 o 1.513000       1.117000      188.9157      -164.8 
1 1 1 13 28 21 o 115.6000       2.870000      1411.257      94.2   
1 1 1 13 28 22 o 25.94000       1.330000      662.6787      -50.3  
1 1 1 13 28 23 o 36.60000       1.523000      896.2791      -137.1 
1 1 1 13 28 24 o 10.80000       1.184000      462.8160      33.8   
1 1 1 13 28 25 o 3.952000       0.8862000     327.6685      -127.2 
1 1 1 13 28 26 o 4.647000       0.8671000     250.9331      -158.4 
1 1 1 13 28 27 o 6.058000       0.9480000     415.9550      127.9  
1 1 1 13 28 28 o 35.10000       1.460000      842.1936      61.8   
1 1 1 13 28 29 o 1.187000       0.9171000     93.27626      -121.1 
1 1 1 13 28 30 o 27.20000       1.370000      793.7935      -55.6  
1 1 1 13 28 31 o 6.254000       0.9490000     426.7817      117.6  
1 1 1 13 28 32 o 5.694000       0.9959000     322.6383      152.9  
1 1 1 13 28 33 o 32.22000       1.386000      842.3112      -128.6 
1 1 1 13 28 34 o 6.133000       1.137000      336.2533      -60.6  
1 1 1 13 28 35 o 2.376000       1.158000      376.0076      -17.3  
1 1 1 13 28 36 o 38.05000       1.495000      800.7645      129.1  
1 1 1 13 28 37 o 16.58000       1.131000      551.7339      103.2  
1 1 1 13 28 38 o 10.01000       1.098000      413.0228      139.4  
1 1 1 13 28 39 o 4.212000       1.098000      332.1836      -59.1  
1 1 1 13 28 40 f 38.94000       1.648000      878.4814      70.8   
1 1 1 13 28 41 o 3.487000       1.259000      420.4236      49.7   
1 1 1 13 28 42 o 29.26000       1.565000      798.8427      44.4   
1 1 1 13 28 43 o 1.727000       1.318000      97.72018      -103.4 
1 1 1 13 28 44 o 7.205000       1.269000      488.8176      -111.0 
1 1 1 13 28 45 f 15.86000       1.508000      692.5878      -10.8  
1 1 1 13 28 46 o 7.009000       1.435000      275.0934      155.4  
1 1 1 13 28 47 o 12.33000       1.359000      495.3676      -116.0 
1 1 1 13 28 48 o -0.4655000     1.257000      52.20395      146.8  
1 1 1 13 28 49 o 3.911000       1.318000      214.8805      -148.0 
1 1 1 13 28 50 o 6.774000       1.419000      356.1696      -3.9   
1 1 1 13 28 51 o 1.364000       1.391000      ?             ?      
1 1 1 13 28 52 o -0.2109000     1.233000      ?             ?      
1 1 1 13 28 53 o 3.502000       1.386000      ?             ?      
1 1 1 13 28 54 o 8.116000       1.279000      ?             ?      
1 1 1 13 28 55 o 3.116000       1.359000      ?             ?      
1 1 1 13 28 56 o 0.3930000      1.206000      ?             ?      
1 1 1 13 28 57 o 0.8022000      1.301000      ?             ?      
1 1 1 13 28 58 o 6.545000       1.410000      ?             ?      
1 1 1 13 28 59 o 2.425000       1.382000      ?             ?      
1 1 1 13 28 60 o -1.825000      1.438000      ?             ?      
1 1 1 13 28 61 o -0.3433000     1.333000      ?             ?      
1 1 1 13 28 62 o 1.743000       1.364000      ?             ?      
1 1 1 13 28 63 o 3.470000       1.534000      ?             ?      
1 1 1 13 28 64 o 0.6220000      1.404000      ?             ?      
1 1 1 13 28 65 o 1.542000       1.423000      ?             ?      
1 1 1 13 28 67 o 2.323000       1.289000      ?             ?      
1 1 1 13 28 68 o 1.019000       2.532000      ?             ?      
1 1 1 13 29 0  o 30.30000       1.535000      844.7604      -90.0  
1 1 1 13 29 1  o 7.550000       0.8169000     449.2508      103.7  
1 1 1 13 29 2  o 98.96000       2.215000      1202.815      -40.1  
1 1 1 13 29 3  o 99.48000       2.232000      1514.778      -146.9 
1 1 1 13 29 4  o 12.29000       0.8773000     441.9082      155.6  
1 1 1 13 29 5  o 43.41000       1.297000      858.9644      -17.8  
1 1 1 13 29 6  o 83.40000       2.018000      992.0576      -165.2 
1 1 1 13 29 7  o 23.08000       1.082000      778.8312      116.6  
1 1 1 13 29 8  o 0.8088000      0.9634000     162.6720      -102.4 
1 1 1 13 29 9  o 17.37000       1.317000      701.7418      -23.4  
1 1 1 13 29 10 o 49.92000       1.784000      1064.797      148.1  
1 1 1 13 29 11 o 22.02000       1.349000      786.7123      -18.5  
1 1 1 13 29 12 o 90.79000       2.529000      1264.292      50.6   
1 1 1 13 29 13 o 35.99000       1.783000      935.5718      179.7  
1 1 1 13 29 14 o 16.28000       1.473000      691.6918      -172.1 
1 1 1 13 29 15 o 11.23000       1.191000      247.5016      -142.5 
1 1 1 13 29 16 o 4.380000       1.377000      399.9568      31.6   
1 1 1 13 29 17 o 50.88000       2.003000      1307.228      -82.5  
1 1 1 13 29 18 o 13.12000       1.150000      511.7101      -131.5 
1 1 1 13 29 19 o 5.207000       1.088000      222.0108      75.6   
1 1 1 13 29 20 o 1.160000       1.061000      243.5030      -104.7 
1 1 1 13 29 21 o 9.259000       1.295000      676.1900      -146.3 
1 1 1 13 29 22 o 6.139000       1.059000      342.3996      -6.7   
1 1 1 13 29 23 o 4.664000       1.088000      214.0429      84.4   
1 1 1 13 29 24 o 36.34000       1.566000      875.9769      -72.5  
1 1 1 13 29 25 o 23.26000       1.294000      677.6280      -27.8  
1 1 1 13 29 26 o 2.857000       0.9156000     231.3768      -70.8  
1 1 1 13 29 27 f 45.17000       1.501000      938.5972      121.8  
1 1 1 13 29 28 o 16.83000       1.000000      479.2344      163.3  
1 1 1 13 29 29 f 0.3892000      0.8595000     205.7594      -20.1  
1 1 1 13 29 30 o 9.963000       0.9732000     537.7546      -41.1  
1 1 1 13 29 31 o 9.584000       1.023000      427.5372      61.5   
1 1 1 13 29 32 o 12.35000       1.083000      570.0651      -37.6  
1 1 1 13 29 33 o 6.748000       1.172000      436.8194      59.9   
1 1 1 13 29 34 o 8.080000       1.193000      305.9900      -64.8  
1 1 1 13 29 35 o 34.93000       1.496000      1046.403      -170.4 
1 1 1 13 29 36 o 3.578000       1.069000      220.7499      -156.4 
1 1 1 13 29 37 o 3.022000       1.090000      301.0591      -179.5 
1 1 1 13 29 38 o 2.497000       1.112000      185.0644      83.6   
1 1 1 13 29 39 o 4.059000       1.099000      490.6478      86.6   
1 1 1 13 29 40 o 2.172000       1.127000      245.9593      -120.8 
1 1 1 13 29 41 o 10.67000       1.300000      388.7044      141.3  
1 1 1 13 29 42 o 7.188000       1.408000      304.2671      -178.9 
1 1 1 13 29 43 o 1.645000       1.319000      257.9693      0.2    
1 1 1 13 29 44 o -0.3435000     1.216000      213.0573      -57.0  
1 1 1 13 29 45 o 15.54000       1.508000      484.0110      -163.8 
1 1 1 13 29 46 o 3.738000       1.554000      236.1097      -128.3 
1 1 1 13 29 47 o 15.18000       1.497000      538.8324      7.5    
1 1 1 13 29 48 o 15.81000       1.357000      592.0829      -41.0  
1 1 1 13 29 49 o 4.538000       1.396000      294.3812      160.8  
1 1 1 13 29 50 o 27.87000       2.151000      ?             ?      
1 1 1 13 29 51 o -0.3013000     1.513000      ?             ?      
1 1 1 13 29 52 o 18.35000       1.386000      ?             ?      
1 1 1 13 29 53 o 2.641000       1.365000      ?             ?      
1 1 1 13 29 54 o -1.708000      1.202000      ?             ?      
1 1 1 13 29 55 o 4.721000       1.337000      ?             ?      
1 1 1 13 29 56 o 0.4322000      1.450000      ?             ?      
1 1 1 13 29 57 o -0.3094000     1.318000      ?             ?      
1 1 1 13 29 58 o 4.998000       1.224000      ?             ?      
1 1 1 13 29 59 o 4.371000       1.246000      ?             ?      
1 1 1 13 29 60 o 1.479000       1.454000      ?             ?      
1 1 1 13 29 61 o -0.3036000E-01 1.327000      ?             ?      
1 1 1 13 29 62 o 4.284000       1.401000      ?             ?      
1 1 1 13 29 63 o 3.183000       1.786000      ?             ?      
1 1 1 13 29 64 o 3.609000       1.936000      ?             ?      
1 1 1 13 29 65 o 1.495000       1.928000      ?             ?      
1 1 1 13 29 66 o 4.206000       1.305000      ?             ?      
1 1 1 13 29 67 o 0.7481000      1.303000      ?             ?      
1 1 1 13 30 0  o 4.722000       1.126000      87.70819      -90.0  
1 1 1 13 30 1  o 17.42000       0.8800000     243.7466      -57.1  
1 1 1 13 30 2  o 49.04000       1.325000      1174.919      31.6   
1 1 1 13 30 3  o 16.47000       0.8900000     966.9228      -118.6 
1 1 1 13 30 4  o 38.65000       1.164000      763.3543      -152.3 
1 1 1 13 30 5  o 6.982000       0.8422000     240.0459      103.0  
1 1 1 13 30 6  o 37.21000       1.249000      797.5179      10.4   
1 1 1 13 30 7  o 2.979000       1.034000      114.3532      -80.2  
1 1 1 13 30 8  o 99.00000       2.463000      1408.699      125.4  
1 1 1 13 30 9  o 41.76000       1.660000      746.5724      123.0  
1 1 1 13 30 10 o 37.12000       1.521000      1032.016      34.7   
1 1 1 13 30 11 o 2.034000       1.125000      130.9891      -22.0  
1 1 1 13 30 12 o -0.4374000     1.135000      259.6456      -61.1  
1 1 1 13 30 13 o 7.798000       1.370000      269.6764      -59.2  
1 1 1 13 30 14 o 5.336000       1.500000      581.0066      -12.7  
1 1 1 13 30 15 o 19.27000       1.207000      704.0133      14.8   
1 1 1 13 30 16 o 13.84000       1.434000      571.6411      116.2  
1 1 1 13 30 17 o 31.56000       1.631000      734.6071      -178.0 
1 1 1 13 30 18 o 4.903000       1.211000      728.6003      -139.7 
1 1 1 13 30 19 o 22.86000       1.254000      676.1390      -71.4  
1 1 1 13 30 20 o 39.03000       1.463000      957.6776      -0.1   
1 1 1 13 30 21 o 37.15000       1.416000      840.7023      69.7   
1 1 1 13 30 22 o 22.11000       1.385000      651.8857      -54.9  
1 1 1 13 30 23 o 41.18000       1.484000      982.0088      84.2   
1 1 1 13 30 24 o 11.12000       1.121000      496.8626      -9.4   
1 1 1 13 30 25 o 7.858000       1.103000      483.3942      35.8   
1 1 1 13 30 26 o 3.991000       1.073000      258.1576      136.7  
1 1 1 13 30 27 o 6.469000       1.138000      428.3352      151.4  
1 1 1 13 30 28 o 101.6000       2.306000      1393.567      -52.7  
1 1 1 13 30 29 o 6.322000       0.9391000     360.8039      -143.9 
1 1 1 13 30 30 o 22.91000       1.144000      748.4030      -151.5 
1 1 1 13 30 31 o 11.00000       0.9478000     528.9510      101.4  
1 1 1 13 30 32 o 11.05000       1.054000      448.8267      -146.6 
1 1 1 13 30 33 o 15.59000       1.254000      590.5701      19.1   
1 1 1 13 30 34 o 3.557000       1.197000      348.8846      -4.1   
1 1 1 13 30 35 o 20.11000       1.222000      509.6723      151.2  
1 1 1 13 30 36 o 0.7937000      1.058000      166.1326      175.4  
1 1 1 13 30 37 o 8.930000       1.092000      434.2951      149.0  
1 1 1 13 30 38 o 6.964000       1.154000      378.9621      175.0  
1 1 1 13 30 39 o 7.292000       1.175000      439.8762      -46.2  
1 1 1 13 30 40 o 9.107000       1.222000      419.8106      -56.6  
1 1 1 13 30 41 o 1.332000       1.258000      229.9242      -172.2 
1 1 1 13 30 42 o 46.14000       2.019000      960.2731      81.9   
1 1 1 13 30 43 o 31.53000       1.736000      792.1738      -67.7  
1 1 1 13 30 44 o 63.83000       2.135000      ?             ?      
1 1 1 13 30 45 o 16.60000       1.348000      655.4253      19.0   
1 1 1 13 30 46 o -0.7796000     1.386000      214.6508      -94.6  
1 1 1 13 30 47 o 8.033000       1.541000      424.3955      -120.2 
1 1 1 13 30 48 o 2.369000       1.479000      232.7122      -39.9  
1 1 1 13 30 49 o 31.44000       2.054000      ?             ?      
1 1 1 13 30 50 o 0.2296000      1.398000      ?             ?      
1 1 1 13 30 51 o 5.652000       1.406000      ?             ?      
1 1 1 13 30 52 o 11.41000       1.446000      ?             ?      
1 1 1 13 30 53 o 4.978000       1.356000      ?             ?      
1 1 1 13 30 54 o 8.021000       1.390000      ?             ?      
1 1 1 13 30 55 o 1.625000       1.330000      ?             ?      
1 1 1 13 30 56 o 0.9588000E-01  1.177000      ?             ?      
1 1 1 13 30 57 o 6.626000       1.231000      ?             ?      
1 1 1 13 30 58 o 5.666000       1.215000      ?             ?      
1 1 1 13 30 59 o 1.406000       1.212000      ?             ?      
1 1 1 13 30 60 o 2.279000       1.371000      ?             ?      
1 1 1 13 30 61 o 7.494000       1.534000      ?             ?      
1 1 1 13 30 62 o -1.884000      1.331000      ?             ?      
1 1 1 13 30 63 o -0.6414000     1.608000      ?             ?      
1 1 1 13 30 64 o -0.8815000     1.792000      ?             ?      
1 1 1 13 30 65 o 3.550000       1.439000      ?             ?      
1 1 1 13 30 66 o 1.625000       1.291000      ?             ?      
1 1 1 13 31 0  o 8.135000       1.126000      718.3624      -90.0  
1 1 1 13 31 1  o 39.48000       1.190000      1005.314      -138.8 
1 1 1 13 31 2  o 8.169000       0.8017000     522.5790      -12.0  
1 1 1 13 31 3  o 12.95000       0.8612000     364.9853      -7.8   
1 1 1 13 31 4  o 8.153000       0.8120000     637.8482      154.4  
1 1 1 13 31 5  o 27.36000       1.027000      858.2453      -122.9 
1 1 1 13 31 6  o 11.13000       0.9093000     475.8549      -144.2 
1 1 1 13 31 7  o 47.55000       1.412000      821.0031      -125.4 
1 1 1 13 31 8  o 8.843000       0.9828000     581.4722      7.0    
1 1 1 13 31 9  o 8.538000       1.181000      657.6679      158.6  
1 1 1 13 31 10 o 42.54000       1.612000      1037.007      164.2  
1 1 1 13 31 11 o 46.25000       1.711000      1274.746      16.6   
1 1 1 13 31 12 o 6.590000       1.281000      479.9517      38.3   
1 1 1 13 31 13 o 13.50000       1.272000      646.7440      177.5  
1 1 1 13 31 14 o 7.805000       1.161000      666.9487      50.3   
1 1 1 13 31 15 o 5.208000       1.592000      157.6114      -75.7  
1 1 1 13 31 16 o 41.95000       1.462000      1039.694      -52.8  
1 1 1 13 31 17 o 121.5000       3.305000      1791.189      -41.2  
1 1 1 13 31 18 o 73.39000       1.980000      1317.876      58.3   
1 1 1 13 31 19 o 1.936000       1.046000      274.3709      -163.5 
1 1 1 13 31 20 o -1.011000      1.169000      203.0126      6.7    
1 1 1 13 31 21 o 1.101000       1.019000      307.8247      -130.6 
1 1 1 13 31 22 o 13.21000       1.099000      426.5970      -129.2 
1 1 1 13 31 23 o 13.47000       1.105000      529.4460      -76.8  
1 1 1 13 31 24 o 17.17000       1.115000      669.3509      -16.1  
1 1 1 13 31 25 o 18.12000       1.276000      602.3043      -39.6  
1 1 1 13 31 26 o 8.033000       1.093000      501.6055      -171.6 
1 1 1 13 31 27 o 28.42000       1.533000      878.7826      30.7   
1 1 1 13 31 28 o 47.96000       1.464000      1080.757      -62.9  
1 1 1 13 31 29 o 10.83000       0.9514000     608.8749      13.3   
1 1 1 13 31 30 o 31.92000       1.289000      912.2788      -93.8  
1 1 1 13 31 31 o 11.02000       0.9755000     519.6904      6.9    
1 1 1 13 31 32 o 11.89000       1.085000      524.2604      82.8   
1 1 1 13 31 33 o 5.562000       1.008000      247.1872      35.9   
1 1 1 13 31 34 o 10.81000       1.085000      639.8797      -127.9 
1 1 1 13 31 35 o 3.447000       0.9972000     331.4114      143.9  
1 1 1 13 31 36 o 41.91000       1.542000      949.2370      -100.5 
1 1 1 13 31 37 o 5.938000       1.117000      337.0231      4.1    
1 1 1 13 31 38 o 13.93000       1.245000      507.0732      99.4   
1 1 1 13 31 39 o 1.406000       1.179000      163.8632      -42.1  
1 1 1 13 31 40 o 10.17000       1.201000      534.5370      -147.9 
1 1 1 13 31 41 o 21.94000       1.335000      516.1741      84.8   
1 1 1 13 31 42 o -0.9317000     1.327000      67.29875      0.0    
1 1 1 13 31 43 o 2.337000       1.506000      181.5758      -17.3  
1 1 1 13 31 44 o 15.34000       1.431000      567.1177      130.1  
1 1 1 13 31 45 o 7.090000       1.260000      444.5164      84.6   
1 1 1 13 31 46 o 1.538000       1.514000      181.8941      61.1   
1 1 1 13 31 47 o 29.60000       1.813000      835.5927      49.4   
1 1 1 13 31 48 o 3.024000       1.769000      ?             ?      
1 1 1 13 31 49 o 0.9135000      1.944000      ?             ?      
1 1 1 13 31 50 o 9.955000       1.486000      ?             ?      
1 1 1 13 31 51 o 3.748000       1.346000      ?             ?      
1 1 1 13 31 52 o 3.148000       1.334000      ?             ?      
1 1 1 13 31 53 o 2.578000       1.217000      ?             ?      
1 1 1 13 31 54 o 20.35000       1.380000      ?             ?      
1 1 1 13 31 55 o 1.379000       1.186000      ?             ?      
1 1 1 13 31 56 o 13.37000       1.283000      ?             ?      
1 1 1 13 31 57 o 2.281000       1.343000      ?             ?      
1 1 1 13 31 58 o 4.474000       1.239000      ?             ?      
1 1 1 13 31 59 o 7.038000       1.263000      ?             ?      
1 1 1 13 31 60 o 8.026000       1.404000      ?             ?      
1 1 1 13 31 61 o -1.167000      1.439000      ?             ?      
1 1 1 13 31 62 o 2.223000       1.538000      ?             ?      
1 1 1 13 31 63 o 2.348000       2.057000      ?             ?      
1 1 1 13 31 64 o 2.655000       1.656000      ?             ?      
1 1 1 13 31 65 o 0.1987000      1.416000      ?             ?      
1 1 1 13 31 66 o 2.086000       1.813000      ?             ?      
1 1 1 13 32 0  o 65.09000       2.284000      806.0665      90.0   
1 1 1 13 32 1  f 1.033000       0.7501000     74.62096      -1.2   
1 1 1 13 32 2  o 23.66000       0.9352000     829.6218      10.1   
1 1 1 13 32 3  o -1.293000      0.7512000     65.87415      -106.1 
1 1 1 13 32 4  o 12.99000       0.8364000     449.6995      84.7   
1 1 1 13 32 5  o 0.2118000      0.7836000     346.2991      -55.9  
1 1 1 13 32 6  o 12.05000       0.9059000     553.7357      119.5  
1 1 1 13 32 7  o 14.49000       0.9407000     349.3302      158.9  
1 1 1 13 32 8  o 4.641000       1.118000      394.6236      -116.9 
1 1 1 13 32 9  o 16.59000       1.241000      513.9154      26.9   
1 1 1 13 32 10 o 5.677000       1.132000      403.0554      95.4   
1 1 1 13 32 11 o 16.60000       1.601000      494.5173      -39.5  
1 1 1 13 32 12 o 5.201000       1.291000      558.3635      -118.0 
1 1 1 13 32 13 o 7.428000       1.290000      573.3703      -159.9 
1 1 1 13 32 14 o 11.51000       1.182000      436.4771      74.7   
1 1 1 13 32 15 o 9.979000       1.649000      714.9254      -36.5  
1 1 1 13 32 16 o 45.66000       2.325000      983.5305      85.3   
1 1 1 13 32 17 o 24.75000       1.365000      670.8459      163.3  
1 1 1 13 32 18 o 21.72000       1.212000      581.5341      107.7  
1 1 1 13 32 19 o 2.786000       1.046000      347.8509      -35.6  
1 1 1 13 32 20 o 6.310000       1.040000      329.7503      -44.4  
1 1 1 13 32 21 o 34.32000       1.350000      902.5713      56.2   
1 1 1 13 32 22 o 29.68000       1.301000      722.0944      -11.2  
1 1 1 13 32 23 o 14.44000       1.272000      720.3209      87.6   
1 1 1 13 32 24 o 21.00000       1.187000      740.1254      39.7   
1 1 1 13 32 25 o 26.02000       1.258000      659.8264      27.6   
1 1 1 13 32 26 o 20.75000       1.319000      680.0073      72.8   
1 1 1 13 32 27 o 4.257000       1.058000      62.39458      -19.3  
1 1 1 13 32 28 o 1.752000       1.017000      320.6871      13.4   
1 1 1 13 32 29 o -0.3086000     0.8198000     129.8654      156.2  
1 1 1 13 32 30 o 17.57000       0.9610000     720.5157      171.5  
1 1 1 13 32 31 o 9.491000       0.9450000     545.2166      3.7    
1 1 1 13 32 32 o 1.139000       0.9849000     131.3454      -171.9 
1 1 1 13 32 33 o 6.188000       1.034000      350.7030      -148.8 
1 1 1 13 32 34 o 1.646000       0.9625000     198.1647      77.1   
1 1 1 13 32 35 o 0.2564000      1.047000      183.6192      -48.6  
1 1 1 13 32 36 o 1.768000       1.095000      231.4039      95.5   
1 1 1 13 32 37 o 0.2393000      1.057000      94.83602      -144.7 
1 1 1 13 32 38 o -1.310000      1.060000      68.30556      -76.4  
1 1 1 13 32 39 o 15.11000       1.251000      623.4033      -105.4 
1 1 1 13 32 40 o 2.822000       1.204000      463.0173      44.6   
1 1 1 13 32 41 o 5.925000       1.258000      321.6189      171.5  
1 1 1 13 32 42 o 11.52000       1.311000      502.9564      -5.3   
1 1 1 13 32 43 o 66.39000       2.197000      ?             ?      
1 1 1 13 32 44 o 23.89000       1.982000      739.8842      -128.8 
1 1 1 13 32 45 f 0.8200000      1.546000      261.0914      -65.7  
1 1 1 13 32 46 o 38.36000       2.003000      881.9763      -159.7 
1 1 1 13 32 47 o -3.605000      1.445000      ?             ?      
1 1 1 13 32 48 o 14.75000       2.660000      ?             ?      
1 1 1 13 32 49 o 10.63000       1.815000      ?             ?      
1 1 1 13 32 50 o 4.735000       1.337000      ?             ?      
1 1 1 13 32 51 o 17.31000       1.392000      ?             ?      
1 1 1 13 32 52 o 2.829000       1.186000      ?             ?      
1 1 1 13 32 53 o 1.617000       1.167000      ?             ?      
1 1 1 13 32 54 o 2.382000       1.206000      ?             ?      
1 1 1 13 32 55 o 6.856000       1.232000      ?             ?      
1 1 1 13 32 56 o -0.8518000E-01 1.177000      ?             ?      
1 1 1 13 32 58 o 0.8179000      1.207000      ?             ?      
1 1 1 13 32 59 o 4.361000       1.224000      ?             ?      
1 1 1 13 32 60 o 1.619000       1.212000      ?             ?      
1 1 1 13 32 61 o 1.417000       1.387000      ?             ?      
1 1 1 13 32 62 o 0.5354000      1.706000      ?             ?      
1 1 1 13 32 63 o 2.903000       1.866000      ?             ?      
1 1 1 13 32 64 o -0.3690000     1.728000      ?             ?      
1 1 1 13 32 65 o 2.051000       2.177000      ?             ?      
1 1 1 13 33 0  o -0.1963000     1.066000      146.3051      -90.0  
1 1 1 13 33 1  o 15.77000       0.8648000     565.1595      125.8  
1 1 1 13 33 2  o 3.242000       0.7400000     431.1285      18.3   
1 1 1 13 33 3  o 1.066000       0.7398000     188.5651      -19.4  
1 1 1 13 33 4  o 0.3050000      0.7485000     408.9630      67.4   
1 1 1 13 33 5  o 22.59000       0.9646000     926.6591      -100.5 
1 1 1 13 33 6  f 5.742000       0.8088000     678.6263      81.1   
1 1 1 13 33 7  o 6.176000       0.8550000     322.5647      -117.1 
1 1 1 13 33 8  o 1.212000       0.8975000     216.1885      -116.6 
1 1 1 13 33 9  o 26.58000       1.155000      870.8405      118.2  
1 1 1 13 33 10 o 4.733000       1.127000      392.4664      -47.7  
1 1 1 13 33 11 o 21.03000       1.697000      853.7440      -30.3  
1 1 1 13 33 12 o 13.73000       1.348000      503.2422      -41.5  
1 1 1 13 33 13 o 10.38000       1.096000      404.3148      128.6  
1 1 1 13 33 14 o 10.74000       1.120000      437.3144      162.2  
1 1 1 13 33 15 o 8.150000       1.614000      398.6932      -13.2  
1 1 1 13 33 16 o 11.96000       1.186000      538.8033      -19.1  
1 1 1 13 33 17 o 0.9876000      1.098000      233.3587      24.9   
1 1 1 13 33 18 o 2.357000       0.9959000     145.2426      -2.4   
1 1 1 13 33 19 o 38.35000       1.539000      891.6849      -134.8 
1 1 1 13 33 20 o 51.38000       1.780000      968.9542      52.3   
1 1 1 13 33 21 o 0.1940000      0.9847000     205.7206      140.8  
1 1 1 13 33 22 o -1.382000      1.223000      146.8148      157.3  
1 1 1 13 33 23 o 15.48000       1.130000      509.6302      145.4  
1 1 1 13 33 24 o 9.252000       1.068000      461.0121      159.2  
1 1 1 13 33 25 o 1.209000       1.028000      189.0969      86.4   
1 1 1 13 33 26 o 18.35000       1.182000      584.9659      9.7    
1 1 1 13 33 27 o 15.85000       1.248000      643.5869      102.1  
1 1 1 13 33 28 o 53.23000       2.118000      996.6069      -83.0  
1 1 1 13 33 29 o 3.808000       1.013000      290.1579      -9.0   
1 1 1 13 33 30 o 3.490000       0.9013000     280.0287      15.8   
1 1 1 13 33 31 o 7.607000       0.9263000     492.6934      -22.7  
1 1 1 13 33 32 o 2.507000       0.9493000     237.9324      52.7   
1 1 1 13 33 33 o 2.132000       0.9204000     235.8242      -103.2 
1 1 1 13 33 34 o 6.871000       0.9440000     392.5094      -103.7 
1 1 1 13 33 35 o 21.55000       1.268000      599.7455      -154.6 
1 1 1 13 33 36 o 2.272000       1.017000      369.8119      -91.5  
1 1 1 13 33 37 o 11.95000       1.129000      417.3608      45.1   
1 1 1 13 33 38 o -0.4271000     1.122000      64.48540      -173.8 
1 1 1 13 33 39 o 2.244000       1.149000      194.4743      -46.8  
1 1 1 13 33 40 o 25.34000       1.390000      868.5571      -32.2  
1 1 1 13 33 41 o 7.740000       1.168000      541.9793      83.2   
1 1 1 13 33 42 o 10.29000       1.504000      389.9928      -33.6  
1 1 1 13 33 43 o -0.2295000     1.437000      246.8231      3.6    
1 1 1 13 33 44 o 11.38000       1.932000      504.6272      24.0   
1 1 1 13 33 45 o 5.265000       1.720000      353.6167      -28.9  
1 1 1 13 33 46 o 6.973000       1.534000      ?             ?      
1 1 1 13 33 47 o 0.4875000      1.330000      ?             ?      
1 1 1 13 33 48 o 3.101000       2.015000      ?             ?      
1 1 1 13 33 49 o -2.897000      1.740000      ?             ?      
1 1 1 13 33 50 o 3.974000       1.344000      ?             ?      
1 1 1 13 33 51 o -0.1102000     1.158000      ?             ?      
1 1 1 13 33 52 o 2.948000       1.157000      ?             ?      
1 1 1 13 33 53 o 4.150000       1.188000      ?             ?      
1 1 1 13 33 54 o 15.82000       1.305000      ?             ?      
1 1 1 13 33 55 o 2.473000       1.175000      ?             ?      
1 1 1 13 33 56 o 8.061000       1.218000      ?             ?      
1 1 1 13 33 57 o 12.21000       1.399000      ?             ?      
1 1 1 13 33 58 o 3.740000       1.200000      ?             ?      
1 1 1 13 33 59 o 1.677000       1.186000      ?             ?      
1 1 1 13 33 60 o -0.6831000     1.204000      ?             ?      
1 1 1 13 33 61 o 1.474000       1.357000      ?             ?      
1 1 1 13 33 62 o 5.097000       2.170000      ?             ?      
1 1 1 13 33 63 o 1.309000       1.421000      ?             ?      
1 1 1 13 33 64 o 2.565000       1.270000      ?             ?      
1 1 1 13 34 0  o 9.947000       1.136000      579.5599      90.0   
1 1 1 13 34 1  o 10.34000       0.8302000     497.9578      26.7   
1 1 1 13 34 2  o 1.135000       0.7437000     379.5173      129.5  
1 1 1 13 34 3  o 8.887000       0.8035000     486.5263      36.3   
1 1 1 13 34 4  o 47.49000       1.301000      1078.060      33.3   
1 1 1 13 34 5  o 20.30000       0.9958000     660.4194      101.6  
1 1 1 13 34 6  o 18.03000       0.9698000     755.3184      -145.6 
1 1 1 13 34 7  o 5.531000       0.8599000     402.2022      147.4  
1 1 1 13 34 8  o 13.31000       0.9861000     409.5863      -151.7 
1 1 1 13 34 9  o 12.78000       0.9817000     594.8335      50.3   
1 1 1 13 34 10 o 25.44000       1.714000      794.3844      102.7  
1 1 1 13 34 11 o 19.91000       1.730000      697.9269      -64.2  
1 1 1 13 34 12 o 55.11000       2.404000      924.5208      -156.2 
1 1 1 13 34 13 o 10.10000       1.092000      591.0476      -169.3 
1 1 1 13 34 14 o 0.2909000E-02  1.299000      199.9605      -176.4 
1 1 1 13 34 15 o 19.27000       1.742000      694.0734      -16.3  
1 1 1 13 34 16 o 76.27000       2.420000      1198.791      104.5  
1 1 1 13 34 17 o -0.4512000     1.071000      160.0427      163.7  
1 1 1 13 34 18 o 6.032000       1.097000      338.4984      115.3  
1 1 1 13 34 19 o 6.403000       0.9984000     253.1579      -118.2 
1 1 1 13 34 20 o 7.931000       1.007000      235.4560      138.7  
1 1 1 13 34 21 o 0.6340000      0.9852000     224.4077      77.4   
1 1 1 13 34 22 o 37.07000       1.420000      902.0250      -105.7 
1 1 1 13 34 23 o 2.460000       0.9857000     257.0594      104.0  
1 1 1 13 34 24 o 7.539000       0.9735000     474.6724      13.3   
1 1 1 13 34 25 o -1.107000      0.9565000     43.94663      9.8    
1 1 1 13 34 26 o 4.892000       1.062000      429.3316      127.8  
1 1 1 13 34 27 o 1.652000       1.050000      332.4358      59.7   
1 1 1 13 34 28 f 17.92000       1.277000      710.9952      -170.5 
1 1 1 13 34 29 o 0.3514000      1.010000      104.6070      65.1   
1 1 1 13 34 30 o 2.856000       1.040000      233.8383      145.9  
1 1 1 13 34 31 o 4.089000       0.9062000     298.1689      -155.6 
1 1 1 13 34 32 o 2.485000       0.9066000     352.9456      37.4   
1 1 1 13 34 33 o 2.523000       0.9073000     251.7787      38.9   
1 1 1 13 34 34 o 2.053000       0.9986000     143.0890      176.5  
1 1 1 13 34 35 o 0.3586000      0.9189000     198.7182      137.1  
1 1 1 13 34 36 o 1.932000       0.9563000     370.0474      -51.8  
1 1 1 13 34 37 o 1.525000       1.043000      137.0686      -63.5  
1 1 1 13 34 38 o 5.946000       1.075000      339.1327      77.8   
1 1 1 13 34 39 o -0.4448000     1.059000      147.3424      32.1   
1 1 1 13 34 40 o 10.16000       1.280000      396.6333      47.4   
1 1 1 13 34 41 o 4.054000       1.137000      264.8215      122.7  
1 1 1 13 34 42 o 3.698000       1.508000      172.7420      176.4  
1 1 1 13 34 43 o -1.282000      1.224000      133.3102      -152.4 
1 1 1 13 34 44 o 6.392000       1.409000      250.8542      -128.8 
1 1 1 13 34 45 o 5.317000       1.517000      ?             ?      
1 1 1 13 34 46 o 17.57000       1.709000      ?             ?      
1 1 1 13 34 47 o 10.52000       1.548000      ?             ?      
1 1 1 13 34 48 o 7.740000       1.612000      ?             ?      
1 1 1 13 34 49 o 4.215000       1.383000      ?             ?      
1 1 1 13 34 50 o 5.259000       1.507000      ?             ?      
1 1 1 13 34 51 o 6.665000       1.282000      ?             ?      
1 1 1 13 34 52 o 0.9190000      1.206000      ?             ?      
1 1 1 13 34 53 o 5.932000       1.259000      ?             ?      
1 1 1 13 34 54 o 1.986000       1.158000      ?             ?      
1 1 1 13 34 55 o -0.2655000     1.138000      ?             ?      
1 1 1 13 34 56 o -0.5094000     1.167000      ?             ?      
1 1 1 13 34 57 o 6.365000       1.211000      ?             ?      
1 1 1 13 34 58 o 1.128000       1.177000      ?             ?      
1 1 1 13 34 59 o 1.770000       1.195000      ?             ?      
1 1 1 13 34 60 o 1.774000       1.259000      ?             ?      
1 1 1 13 34 61 o 4.047000       1.391000      ?             ?      
1 1 1 13 34 62 o -1.468000      1.570000      ?             ?      
1 1 1 13 34 63 o 4.936000       1.522000      ?             ?      
1 1 1 13 34 64 o -2.030000      1.362000      ?             ?      
1 1 1 13 35 0  o 0.2691000E-01  1.087000      1.548648      -90.0  
1 1 1 13 35 1  o 2.844000       0.7814000     342.0737      148.2  
1 1 1 13 35 2  o 39.75000       1.189000      1079.629      138.5  
1 1 1 13 35 3  o 0.6670000      0.7449000     36.60912      122.3  
1 1 1 13 35 4  o 5.348000       0.7828000     305.2223      139.7  
1 1 1 13 35 5  o -0.3627000     0.7721000     137.4435      -27.7  
1 1 1 13 35 6  o 8.080000       0.8198000     437.4450      -138.1 
1 1 1 13 35 7  o 5.838000       0.8578000     389.5166      -37.7  
1 1 1 13 35 8  o 1.582000       0.8567000     184.0176      -116.7 
1 1 1 13 35 9  o 10.17000       0.9563000     509.0467      70.2   
1 1 1 13 35 10 o 34.85000       1.978000      570.2205      40.7   
1 1 1 13 35 11 o 2.298000       1.485000      350.0394      -4.3   
1 1 1 13 35 12 o 33.38000       1.506000      885.1537      -108.3 
1 1 1 13 35 13 o 20.32000       1.372000      618.6027      -139.5 
1 1 1 13 35 14 o -1.284000      1.223000      418.6295      -18.9  
1 1 1 13 35 15 o 5.547000       1.132000      449.8120      -119.9 
1 1 1 13 35 16 o 45.31000       1.710000      975.8003      148.0  
1 1 1 13 35 17 o 2.466000       1.089000      252.8720      26.3   
1 1 1 13 35 18 o 9.823000       1.142000      459.5932      -110.7 
1 1 1 13 35 19 o 12.85000       1.176000      580.2651      174.2  
1 1 1 13 35 20 o 0.3551000      0.9680000     13.61251      -6.4   
1 1 1 13 35 21 o 14.29000       1.072000      516.3062      -30.6  
1 1 1 13 35 22 o 25.08000       1.416000      720.5427      73.6   
1 1 1 13 35 23 o 1.756000       0.9629000     291.2602      101.0  
1 1 1 13 35 24 o 14.48000       1.070000      465.0254      -113.4 
1 1 1 13 35 25 o 7.483000       0.9684000     381.1571      88.9   
1 1 1 13 35 26 o 2.241000       0.9686000     322.2994      50.5   
1 1 1 13 35 27 o 17.42000       1.191000      625.3938      -49.5  
1 1 1 13 35 28 o 12.02000       1.084000      475.2714      -91.0  
1 1 1 13 35 29 o 1.055000       1.158000      193.8158      28.9   
1 1 1 13 35 30 o 1.695000       1.167000      422.7077      172.8  
1 1 1 13 35 31 o 7.235000       1.172000      353.0126      -1.0   
1 1 1 13 35 32 o 5.903000       0.9764000     321.0763      -137.1 
1 1 1 13 35 33 o 49.23000       1.666000      927.6792      -167.2 
1 1 1 13 35 34 o 1.158000       0.9052000     208.3661      125.8  
1 1 1 13 35 35 o 6.147000       0.9572000     352.2239      -105.3 
1 1 1 13 35 36 o 6.838000       0.9855000     295.3034      -58.2  
1 1 1 13 35 37 o 19.09000       1.295000      599.3803      17.0   
1 1 1 13 35 38 o 3.932000       1.186000      258.9867      -88.0  
1 1 1 13 35 39 o 1.406000       1.237000      152.8441      -160.2 
1 1 1 13 35 40 o 13.70000       1.369000      489.2209      -68.4  
1 1 1 13 35 41 o 15.30000       1.325000      592.1311      -158.5 
1 1 1 13 35 42 o 4.409000       1.216000      314.7745      35.0   
1 1 1 13 35 43 o 1.432000       1.235000      137.6101      -54.8  
1 1 1 13 35 44 o 18.82000       1.440000      ?             ?      
1 1 1 13 35 45 o 3.094000       1.520000      ?             ?      
1 1 1 13 35 46 o 0.2547000      1.599000      ?             ?      
1 1 1 13 35 47 o 8.233000       1.685000      ?             ?      
1 1 1 13 35 48 o 9.398000       1.320000      ?             ?      
1 1 1 13 35 49 o 3.100000       1.361000      ?             ?      
1 1 1 13 35 50 o 12.19000       1.650000      ?             ?      
1 1 1 13 35 51 o 6.554000       1.434000      ?             ?      
1 1 1 13 35 52 o -0.1452000     1.175000      ?             ?      
1 1 1 13 35 53 o 7.127000       1.183000      ?             ?      
1 1 1 13 35 54 o 1.541000       1.188000      ?             ?      
1 1 1 13 35 55 o -0.5848000E-01 1.193000      ?             ?      
1 1 1 13 35 56 o 2.406000       1.220000      ?             ?      
1 1 1 13 35 57 o 0.2294000      1.159000      ?             ?      
1 1 1 13 35 58 o -0.4248000     1.188000      ?             ?      
1 1 1 13 35 59 o 5.581000       1.212000      ?             ?      
1 1 1 13 35 60 o 1.140000       1.315000      ?             ?      
1 1 1 13 35 61 o 1.185000       1.462000      ?             ?      
1 1 1 13 35 62 o 5.943000       1.349000      ?             ?      
1 1 1 13 35 63 o -0.8764000     1.391000      ?             ?      
1 1 1 13 36 0  o -0.9695000     1.064000      12.45149      90.0   
1 1 1 13 36 1  o 5.299000       0.7856000     314.2459      20.2   
1 1 1 13 36 2  o 0.9464000      0.7476000     238.6898      -66.9  
1 1 1 13 36 3  o 2.151000       0.7515000     80.97494      -82.2  
1 1 1 13 36 4  o 45.48000       1.285000      976.3668      30.7   
1 1 1 13 36 5  o 6.746000       0.8066000     220.1088      105.3  
1 1 1 13 36 6  o 21.64000       0.9551000     607.4210      148.4  
1 1 1 13 36 7  o 2.460000       0.8306000     213.7177      110.8  
1 1 1 13 36 8  o 24.85000       1.365000      706.0400      127.6  
1 1 1 13 36 9  o 7.436000       1.037000      189.9559      64.5   
1 1 1 13 36 10 o 2.916000       1.462000      300.2786      173.6  
1 1 1 13 36 11 o 0.3659000      1.170000      153.2715      176.5  
1 1 1 13 36 12 o 10.23000       1.260000      491.8843      140.0  
1 1 1 13 36 13 o 10.23000       1.043000      359.5408      -32.9  
1 1 1 13 36 14 o 6.529000       1.243000      343.4293      -12.0  
1 1 1 13 36 15 o 3.910000       1.090000      259.1975      -22.6  
1 1 1 13 36 16 o 4.231000       1.096000      365.6878      134.7  
1 1 1 13 36 17 o 9.399000       1.128000      418.2096      -79.2  
1 1 1 13 36 18 o 0.6403000      1.073000      168.7800      -90.2  
1 1 1 13 36 19 o 7.358000       1.133000      529.7906      -24.1  
1 1 1 13 36 20 o 26.98000       1.417000      917.0834      98.7   
1 1 1 13 36 21 o -0.1221000     0.9555000     70.39429      -113.0 
1 1 1 13 36 22 o 2.140000       0.9785000     138.3738      -85.5  
1 1 1 13 36 23 o 2.365000       0.9632000     146.3629      37.4   
1 1 1 13 36 24 o -0.7980000     0.9757000     210.2575      22.6   
1 1 1 13 36 25 o 5.846000       0.9996000     297.0376      143.6  
1 1 1 13 36 26 o 6.755000       0.9765000     392.5011      69.8   
1 1 1 13 36 27 o -0.7225000     0.9962000     134.9767      -68.5  
1 1 1 13 36 28 o 0.1384000E-01  0.9719000     106.3528      -2.8   
1 1 1 13 36 29 o 0.4582000      1.099000      213.4519      -165.4 
1 1 1 13 36 30 o 4.857000       1.289000      413.1534      -108.4 
1 1 1 13 36 31 o 18.22000       1.727000      568.3517      -15.7  
1 1 1 13 36 32 o 1.257000       1.194000      200.1062      107.1  
1 1 1 13 36 33 o 2.614000       0.9147000     88.38910      -31.6  
1 1 1 13 36 34 o 2.461000       0.9230000     294.9375      -72.8  
1 1 1 13 36 35 o 10.48000       1.130000      382.4147      20.4   
1 1 1 13 36 36 o 0.9964000E-01  1.130000      210.8745      65.7   
1 1 1 13 36 37 o 5.151000       1.195000      181.5165      64.9   
1 1 1 13 36 38 o 2.353000       1.104000      219.5894      -50.0  
1 1 1 13 36 39 o 9.632000       1.297000      374.1370      6.1    
1 1 1 13 36 40 o -0.3082000     1.192000      114.3012      -8.4   
1 1 1 13 36 41 o 8.626000       1.336000      473.8616      116.5  
1 1 1 13 36 42 o 4.941000       1.163000      309.1231      -29.2  
1 1 1 13 36 43 o 0.7397000E-01  1.102000      ?             ?      
1 1 1 13 36 44 o 0.3803000      1.118000      ?             ?      
1 1 1 13 36 45 o 1.147000       1.340000      ?             ?      
1 1 1 13 36 46 o 2.586000       1.729000      ?             ?      
1 1 1 13 36 47 o 13.41000       1.539000      ?             ?      
1 1 1 13 36 48 o 0.6875000      1.188000      ?             ?      
1 1 1 13 36 49 o 2.084000       1.176000      ?             ?      
1 1 1 13 36 50 o 3.697000       1.323000      ?             ?      
1 1 1 13 36 51 o 0.6419000      1.411000      ?             ?      
1 1 1 13 36 52 o -1.480000      1.347000      ?             ?      
1 1 1 13 36 53 o 0.4452000E-01  1.152000      ?             ?      
1 1 1 13 36 54 o -0.2285000     1.159000      ?             ?      
1 1 1 13 36 55 o 1.768000       1.183000      ?             ?      
1 1 1 13 36 56 o -0.1550000E-01 1.148000      ?             ?      
1 1 1 13 36 57 o 4.066000       1.242000      ?             ?      
1 1 1 13 36 58 o 2.703000       1.250000      ?             ?      
1 1 1 13 36 59 o 1.366000       1.277000      ?             ?      
1 1 1 13 36 60 o 0.5393000      1.322000      ?             ?      
1 1 1 13 36 61 o -2.067000      1.349000      ?             ?      
1 1 1 13 36 62 o -0.6076000     1.681000      ?             ?      
1 1 1 13 37 0  o 10.70000       1.164000      666.2580      90.0   
1 1 1 13 37 1  o 7.879000       0.8194000     519.4968      65.3   
1 1 1 13 37 2  o 22.78000       0.9564000     734.5861      169.8  
1 1 1 13 37 3  o 22.76000       0.9598000     528.3303      148.5  
1 1 1 13 37 4  o 1.847000       0.7829000     251.0296      -33.8  
1 1 1 13 37 5  o 5.054000       0.8013000     320.6489      -56.0  
1 1 1 13 37 6  o 25.83000       1.109000      771.7661      -166.8 
1 1 1 13 37 7  o 9.029000       0.8978000     429.3837      147.3  
1 1 1 13 37 8  o -0.7391000E-01 0.8667000     92.92416      75.9   
1 1 1 13 37 9  o 14.26000       1.101000      515.7623      -142.9 
1 1 1 13 37 10 o 25.08000       1.851000      710.2467      4.9    
1 1 1 13 37 11 o 10.75000       1.273000      398.8676      -159.6 
1 1 1 13 37 12 o 3.412000       1.105000      283.6131      -95.3  
1 1 1 13 37 13 o 9.764000       1.330000      447.0069      -49.9  
1 1 1 13 37 14 o 5.562000       1.210000      380.7868      79.4   
1 1 1 13 37 15 o 4.287000       1.082000      416.6510      176.0  
1 1 1 13 37 16 o 7.157000       1.104000      272.1717      146.1  
1 1 1 13 37 17 o 1.117000       1.087000      166.5208      54.7   
1 1 1 13 37 18 o 23.21000       1.363000      679.5016      179.2  
1 1 1 13 37 19 o 15.89000       1.245000      458.8182      173.5  
1 1 1 13 37 20 o 20.52000       1.351000      665.5923      29.9   
1 1 1 13 37 21 o -0.5524000     1.118000      159.5252      75.7   
1 1 1 13 37 22 o 6.498000       1.011000      406.0909      5.5    
1 1 1 13 37 23 o 2.166000       0.9960000     171.1257      -121.2 
1 1 1 13 37 24 o 41.08000       1.761000      869.6830      -165.8 
1 1 1 13 37 25 o 2.609000       1.014000      300.0343      104.4  
1 1 1 13 37 26 o 1.446000       0.9983000     118.2534      51.6   
1 1 1 13 37 27 o 3.637000       1.009000      266.3153      35.7   
1 1 1 13 37 28 o 3.920000       1.168000      123.5464      118.0  
1 1 1 13 37 29 o 9.633000       1.331000      409.4868      79.0   
1 1 1 13 37 30 o -0.3507000     1.226000      161.1916      40.7   
1 1 1 13 37 31 o 9.420000       1.468000      432.4363      -19.2  
1 1 1 13 37 32 o 26.41000       1.772000      734.7471      175.7  
1 1 1 13 37 33 o 6.901000       1.191000      399.7234      167.2  
1 1 1 13 37 34 o 9.275000       1.030000      369.6955      106.3  
1 1 1 13 37 35 o -2.590000      1.129000      82.81823      -40.9  
1 1 1 13 37 36 o 1.185000       1.055000      244.7743      26.4   
1 1 1 13 37 37 o 1.831000       1.054000      60.01922      -96.1  
1 1 1 13 37 38 o 2.482000       1.141000      313.6996      97.8   
1 1 1 13 37 39 o 2.588000       1.162000      290.8869      28.6   
1 1 1 13 37 40 o 11.37000       1.337000      390.6409      -170.4 
1 1 1 13 37 41 o 0.8923000      1.087000      111.8569      172.0  
1 1 1 13 37 42 o 3.944000       1.115000      ?             ?      
1 1 1 13 37 43 o 3.094000       1.124000      ?             ?      
1 1 1 13 37 44 o 1.954000       1.121000      ?             ?      
1 1 1 13 37 45 o -0.2279000     1.198000      ?             ?      
1 1 1 13 37 46 o 5.719000       1.721000      ?             ?      
1 1 1 13 37 47 o -1.109000      1.376000      ?             ?      
1 1 1 13 37 48 o 0.2400000      1.184000      ?             ?      
1 1 1 13 37 49 o 1.380000       1.095000      ?             ?      
1 1 1 13 37 50 o 5.333000       1.159000      ?             ?      
1 1 1 13 37 51 o -1.813000      1.422000      ?             ?      
1 1 1 13 37 52 o -0.7038000     1.551000      ?             ?      
1 1 1 13 37 53 o 1.375000       1.322000      ?             ?      
1 1 1 13 37 54 o 4.360000       1.149000      ?             ?      
1 1 1 13 37 55 o -0.5701000     1.164000      ?             ?      
1 1 1 13 37 56 o 2.750000       1.192000      ?             ?      
1 1 1 13 37 57 o 1.698000       1.260000      ?             ?      
1 1 1 13 37 58 o 3.571000       1.232000      ?             ?      
1 1 1 13 37 59 o 3.675000       1.370000      ?             ?      
1 1 1 13 37 60 o 0.3529000      1.441000      ?             ?      
1 1 1 13 37 61 o 2.832000       1.369000      ?             ?      
1 1 1 13 37 62 o -0.3577000     1.467000      ?             ?      
1 1 1 13 38 0  o -0.6442000     1.056000      41.26760      -90.0  
1 1 1 13 38 1  o 0.6354000      0.7676000     256.5401      -100.0 
1 1 1 13 38 2  o 2.920000       0.7678000     177.6979      159.9  
1 1 1 13 38 3  o 0.8559000      0.7742000     213.5984      -134.8 
1 1 1 13 38 4  o 15.06000       0.9063000     453.9741      -116.9 
1 1 1 13 38 5  o -0.4049000     0.7788000     162.2153      -8.5   
1 1 1 13 38 6  o 0.7705000      0.7929000     130.8886      4.3    
1 1 1 13 38 7  o 2.174000       0.8202000     192.5161      -15.6  
1 1 1 13 38 8  o 2.691000       0.9445000     303.2020      -171.7 
1 1 1 13 38 9  o 3.561000       1.093000      299.7061      -135.8 
1 1 1 13 38 10 o 4.535000       1.218000      344.3943      37.4   
1 1 1 13 38 11 o 3.423000       1.205000      276.5381      140.8  
1 1 1 13 38 12 o -0.1781000     1.289000      223.9191      -39.6  
1 1 1 13 38 13 o -0.7827000     1.166000      131.5199      40.0   
1 1 1 13 38 14 o -0.3089000E-01 0.9251000     223.9394      -56.2  
1 1 1 13 38 15 o 3.578000       1.086000      192.0434      -146.4 
1 1 1 13 38 16 o 3.374000       1.107000      205.2987      97.0   
1 1 1 13 38 17 o 15.72000       1.253000      634.9596      -44.4  
1 1 1 13 38 18 o 2.284000       1.139000      234.8467      -36.8  
1 1 1 13 38 19 o 4.179000       1.151000      271.9308      97.5   
1 1 1 13 38 20 o 17.68000       1.325000      636.9946      75.4   
1 1 1 13 38 21 o -0.8572000     1.149000      41.09816      62.1   
1 1 1 13 38 22 o 9.467000       1.248000      338.6983      -52.0  
1 1 1 13 38 23 o 10.74000       1.107000      454.6800      27.5   
1 1 1 13 38 24 o 1.171000       1.030000      175.7339      -25.3  
1 1 1 13 38 25 o 7.453000       1.073000      399.8607      -133.1 
1 1 1 13 38 26 o 3.129000       1.062000      293.0057      85.4   
1 1 1 13 38 27 o 0.4270000      1.084000      92.95615      -160.7 
1 1 1 13 38 28 o 1.563000       1.193000      249.6522      166.5  
1 1 1 13 38 29 o 0.4060000      1.083000      120.3906      -32.8  
1 1 1 13 38 30 o 6.115000       1.315000      291.0366      -27.1  
1 1 1 13 38 31 o 2.545000       1.295000      218.3615      142.2  
1 1 1 13 38 32 o 7.232000       1.211000      431.2491      -143.1 
1 1 1 13 38 33 o 3.199000       1.332000      351.4563      -89.3  
1 1 1 13 38 34 o 1.814000       1.315000      226.8636      41.8   
1 1 1 13 38 35 o 0.7439000      1.084000      164.9977      139.6  
1 1 1 13 38 36 o 4.911000       1.072000      224.7091      175.4  
1 1 1 13 38 37 o 0.4074000      1.071000      41.16535      110.9  
1 1 1 13 38 38 o 0.8648000      0.9855000     217.0092      56.3   
1 1 1 13 38 39 o 0.2585000      0.9980000     202.1171      162.8  
1 1 1 13 38 40 o -0.9844000     1.002000      31.55282      -152.2 
1 1 1 13 38 41 o 0.7790000      1.003000      ?             ?      
1 1 1 13 38 42 o 0.7108000      1.065000      ?             ?      
1 1 1 13 38 43 o 1.704000       1.088000      ?             ?      
1 1 1 13 38 44 o 1.511000       1.125000      ?             ?      
1 1 1 13 38 45 o -0.9647000E-01 1.235000      ?             ?      
1 1 1 13 38 46 o -0.1274000     1.336000      ?             ?      
1 1 1 13 38 47 o 1.524000       1.274000      ?             ?      
1 1 1 13 38 48 o -1.262000      1.162000      ?             ?      
1 1 1 13 38 49 o -1.411000      1.068000      ?             ?      
1 1 1 13 38 50 o 0.8980000      1.090000      ?             ?      
1 1 1 13 38 51 o 2.233000       1.257000      ?             ?      
1 1 1 13 38 52 o -0.2547000     1.246000      ?             ?      
1 1 1 13 38 53 o 1.660000       1.381000      ?             ?      
1 1 1 13 38 54 o -1.050000      1.317000      ?             ?      
1 1 1 13 38 55 o 1.013000       1.203000      ?             ?      
1 1 1 13 38 56 o 1.874000       1.213000      ?             ?      
1 1 1 13 38 57 o 1.547000       1.149000      ?             ?      
1 1 1 13 38 58 o -0.8893000     1.207000      ?             ?      
1 1 1 13 38 59 o -0.3331000E-01 1.726000      ?             ?      
1 1 1 13 38 60 o -0.8925000     1.372000      ?             ?      
1 1 1 13 38 61 o 0.6241000      1.282000      ?             ?      
1 1 1 13 39 0  o 3.136000       1.100000      184.3392      90.0   
1 1 1 13 39 1  o 7.944000       0.8270000     184.2001      -8.2   
1 1 1 13 39 2  o 0.7834000      0.7605000     179.4449      -153.8 
1 1 1 13 39 3  o 1.136000       0.7720000     174.2452      -10.8  
1 1 1 13 39 4  o 11.12000       0.8839000     340.8722      3.8    
1 1 1 13 39 5  o 3.308000       0.8086000     188.4424      -21.8  
1 1 1 13 39 6  o 5.586000       0.8349000     156.7064      157.9  
1 1 1 13 39 7  o -1.010000      0.7984000     11.88253      54.9   
1 1 1 13 39 8  o 1.092000       0.9227000     87.37298      -11.1  
1 1 1 13 39 9  o 2.346000       1.553000      236.6500      -125.5 
1 1 1 13 39 10 o 13.96000       1.356000      546.4295      -1.0   
1 1 1 13 39 11 o 6.751000       1.237000      286.0657      163.4  
1 1 1 13 39 12 o 11.78000       1.029000      436.6324      -45.3  
1 1 1 13 39 13 o 0.1893000      1.079000      114.1365      -118.4 
1 1 1 13 39 14 o 0.8209000      0.9145000     157.4172      167.1  
1 1 1 13 39 15 o 2.796000       1.999000      47.86280      -97.7  
1 1 1 13 39 16 o 4.280000       1.142000      218.9314      65.8   
1 1 1 13 39 17 o -0.5491000     1.129000      36.52968      120.9  
1 1 1 13 39 18 o 11.32000       1.249000      453.9567      169.9  
1 1 1 13 39 19 o 9.394000       1.227000      307.9465      67.7   
1 1 1 13 39 20 o 4.512000       1.203000      275.5821      77.6   
1 1 1 13 39 21 o -0.8410000     1.178000      188.0349      -95.1  
1 1 1 13 39 22 o 2.243000       1.217000      42.79432      -176.7 
1 1 1 13 39 23 o 0.2052000      1.194000      16.47910      52.2   
1 1 1 13 39 24 o 0.3114000      1.227000      150.6411      170.7  
1 1 1 13 39 25 o -0.4200000     1.059000      53.31998      35.4   
1 1 1 13 39 26 o -0.6073000     1.074000      108.2658      -54.6  
1 1 1 13 39 27 o 9.101000       1.315000      413.4687      123.1  
1 1 1 13 39 28 o 3.443000       1.309000      258.9261      57.0   
1 1 1 13 39 29 o 2.079000       1.357000      175.3723      -37.7  
1 1 1 13 39 30 o -0.1226000     1.357000      145.3111      -165.5 
1 1 1 13 39 31 o 3.992000       1.244000      218.2441      61.1   
1 1 1 13 39 32 o 2.363000       1.306000      162.3072      -159.2 
1 1 1 13 39 33 o 0.5393000E-01  1.180000      171.4250      174.6  
1 1 1 13 39 34 o 3.206000       1.742000      141.8746      -2.9   
1 1 1 13 39 35 o 0.1496000      1.265000      52.95028      1.1    
1 1 1 13 39 36 o 2.598000       1.016000      185.3910      -159.7 
1 1 1 13 39 37 o 0.9773000      0.9634000     78.15119      74.7   
1 1 1 13 39 38 o 6.305000       1.012000      365.5572      12.6   
1 1 1 13 39 39 o 0.1837000      0.9779000     114.5355      -128.8 
1 1 1 13 39 40 o 0.9847000      0.9840000     ?             ?      
1 1 1 13 39 41 o -0.8489000     0.9779000     ?             ?      
1 1 1 13 39 42 o -1.162000      0.9825000     ?             ?      
1 1 1 13 39 43 o 8.590000       1.070000      ?             ?      
1 1 1 13 39 44 o 1.914000       1.238000      ?             ?      
1 1 1 13 39 45 o 3.859000       1.263000      ?             ?      
1 1 1 13 39 46 o -0.7515000     1.076000      ?             ?      
1 1 1 13 39 47 o -0.4235000     1.171000      ?             ?      
1 1 1 13 39 48 o 0.9478000      1.287000      ?             ?      
1 1 1 13 39 49 o 0.6462000      1.165000      ?             ?      
1 1 1 13 39 50 o 1.267000       1.075000      ?             ?      
1 1 1 13 39 51 o 4.386000       1.119000      ?             ?      
1 1 1 13 39 52 o 1.102000       1.240000      ?             ?      
1 1 1 13 39 53 o -0.5012000     1.253000      ?             ?      
1 1 1 13 39 54 o -0.4621000E-01 1.399000      ?             ?      
1 1 1 13 39 55 o 0.4839000      1.120000      ?             ?      
1 1 1 13 39 56 o 0.5942000      1.136000      ?             ?      
1 1 1 13 39 57 o 3.288000       1.182000      ?             ?      
1 1 1 13 39 58 o 2.723000       1.422000      ?             ?      
1 1 1 13 39 59 o -2.894000      1.721000      ?             ?      
1 1 1 13 39 60 o -0.5637000     1.771000      ?             ?      
1 1 1 13 40 0  o -0.2663000E-01 1.103000      3.245882      -90.0  
1 1 1 13 40 1  o 1.108000       0.7881000     80.61232      32.5   
1 1 1 13 40 2  o 2.408000       0.7811000     177.9439      145.2  
1 1 1 13 40 3  o 7.504000       0.8242000     270.7492      -147.1 
1 1 1 13 40 4  o 2.648000       0.7965000     99.77365      134.4  
1 1 1 13 40 5  o 3.104000       0.8101000     253.9921      6.6    
1 1 1 13 40 6  o 3.118000       0.8146000     99.94641      -74.1  
1 1 1 13 40 7  o 6.230000       0.8768000     299.0935      -151.7 
1 1 1 13 40 8  o 2.772000       0.9949000     201.7240      -96.2  
1 1 1 13 40 9  o 6.054000       1.097000      246.6617      77.4   
1 1 1 13 40 10 o 3.540000       1.242000      229.9731      -63.2  
1 1 1 13 40 11 o -2.611000      1.663000      116.4156      139.5  
1 1 1 13 40 12 o 0.4444000E-01  1.125000      51.43416      -99.2  
1 1 1 13 40 13 o 0.9599000      0.9181000     131.4353      30.0   
1 1 1 13 40 14 o 3.767000       0.9544000     197.1475      42.8   
1 1 1 13 40 15 o 5.347000       1.141000      169.3938      159.3  
1 1 1 13 40 16 o 4.462000       1.164000      260.6017      -19.6  
1 1 1 13 40 17 o 0.3595000      1.132000      55.20105      -53.6  
1 1 1 13 40 18 o 0.7555000E-01  1.152000      32.21400      9.4    
1 1 1 13 40 19 o 0.4420000      1.176000      87.67637      123.7  
1 1 1 13 40 20 o 13.65000       1.344000      474.7042      93.6   
1 1 1 13 40 21 o 0.9635000      1.226000      93.53515      -90.7  
1 1 1 13 40 22 o 1.822000       1.224000      76.53989      130.4  
1 1 1 13 40 23 o 0.9959000      1.237000      64.52530      131.8  
1 1 1 13 40 24 o 1.651000       1.279000      119.8390      -12.3  
1 1 1 13 40 25 o 3.568000       1.333000      223.0671      -68.1  
1 1 1 13 40 26 o 4.057000       1.291000      231.7609      164.9  
1 1 1 13 40 27 o 2.549000       1.404000      169.6540      140.1  
1 1 1 13 40 28 o 5.515000       1.336000      303.9366      -52.2  
1 1 1 13 40 29 o 1.053000       1.402000      78.45502      -100.7 
1 1 1 13 40 30 o 0.3830000E-01  1.341000      49.66351      20.4   
1 1 1 13 40 31 o 6.514000       1.554000      212.4699      151.5  
1 1 1 13 40 32 o 5.995000       1.545000      239.9384      -156.8 
1 1 1 13 40 33 o 1.469000       1.184000      137.3862      35.1   
1 1 1 13 40 34 o 6.182000       1.204000      190.3797      19.5   
1 1 1 13 40 35 o 0.7306000      1.296000      74.68768      169.8  
1 1 1 13 40 36 o 1.223000       1.254000      58.56046      -167.5 
1 1 1 13 40 37 o 11.20000       1.181000      354.2750      67.9   
1 1 1 13 40 38 o 0.4456000      0.9472000     ?             ?      
1 1 1 13 40 39 o 2.079000       0.9652000     ?             ?      
1 1 1 13 40 40 o 0.3913000      0.9462000     ?             ?      
1 1 1 13 40 41 o 0.7398000E-01  0.9613000     ?             ?      
1 1 1 13 40 42 o 2.393000       0.9822000     ?             ?      
1 1 1 13 40 43 o 3.623000       1.027000      ?             ?      
1 1 1 13 40 44 o 2.752000       1.080000      ?             ?      
1 1 1 13 40 45 o 2.144000       1.052000      ?             ?      
1 1 1 13 40 46 o 0.1397000      1.020000      ?             ?      
1 1 1 13 40 47 o -1.627000      1.030000      ?             ?      
1 1 1 13 40 48 o 2.718000       1.307000      ?             ?      
1 1 1 13 40 49 o 1.058000       1.309000      ?             ?      
1 1 1 13 40 50 o -0.2380000     1.185000      ?             ?      
1 1 1 13 40 51 o -0.3739000     1.045000      ?             ?      
1 1 1 13 40 52 o 0.1220000      1.057000      ?             ?      
1 1 1 13 40 53 o 0.7354000      1.239000      ?             ?      
1 1 1 13 40 54 o 2.742000       1.408000      ?             ?      
1 1 1 13 40 55 o 0.8166000      1.285000      ?             ?      
1 1 1 13 40 56 o 0.7609000      1.146000      ?             ?      
1 1 1 13 40 57 o 2.585000       1.214000      ?             ?      
1 1 1 13 40 58 o 2.053000       1.409000      ?             ?      
1 1 1 13 40 59 o 2.905000       1.309000      ?             ?      
1 1 1 13 41 0  o 2.285000       1.127000      70.88972      90.0   
1 1 1 13 41 1  o 0.7232000      0.7877000     76.83108      75.3   
1 1 1 13 41 2  o 1.123000       0.7743000     205.8251      -130.3 
1 1 1 13 41 3  o 0.4377000      0.7842000     144.4628      -30.7  
1 1 1 13 41 4  o 5.491000       0.8430000     228.0596      58.6   
1 1 1 13 41 5  o -0.1307000     0.8105000     95.83665      62.9   
1 1 1 13 41 6  o 6.637000       0.8634000     197.0397      -83.6  
1 1 1 13 41 7  f 3.408000       0.8787000     181.8094      -1.5   
1 1 1 13 41 8  o 4.590000       1.017000      168.8833      -61.4  
1 1 1 13 41 9  o -0.5340000     1.062000      57.00035      143.1  
1 1 1 13 41 10 o 2.912000       1.232000      113.0290      -95.8  
1 1 1 13 41 11 o 0.9730000      1.712000      114.4564      25.1   
1 1 1 13 41 12 o -0.3930000     1.153000      54.71107      -169.2 
1 1 1 13 41 13 o -0.2608000     0.9344000     53.60490      138.3  
1 1 1 13 41 14 o -0.2479000     0.9438000     98.28045      147.0  
1 1 1 13 41 15 o -0.3408000     1.138000      75.04095      -48.6  
1 1 1 13 41 16 o 0.1100000E-01  1.154000      87.54655      -168.3 
1 1 1 13 41 17 o -0.9531000     1.175000      102.6435      125.0  
1 1 1 13 41 18 o 7.932000       1.271000      257.0143      148.7  
1 1 1 13 41 19 o 1.903000       1.214000      82.20995      18.7   
1 1 1 13 41 20 o 0.4634000      1.216000      116.1235      -63.0  
1 1 1 13 41 21 o 6.412000       1.262000      226.2381      -87.8  
1 1 1 13 41 22 o 2.155000       1.265000      210.3834      -148.4 
1 1 1 13 41 23 o 0.9436000      1.278000      128.0780      -50.5  
1 1 1 13 41 24 o -0.2507000     1.317000      101.9183      96.3   
1 1 1 13 41 25 o 0.1062000E-02  1.438000      71.44759      8.3    
1 1 1 13 41 26 o 2.217000       1.994000      234.4825      54.2   
1 1 1 13 41 27 o 5.489000       1.404000      138.1178      158.2  
1 1 1 13 41 28 o 7.518000       2.195000      220.6388      -23.3  
1 1 1 13 41 29 o 2.253000       2.098000      78.23062      119.7  
1 1 1 13 41 30 o 4.362000       1.565000      177.8829      -154.1 
1 1 1 13 41 31 o -1.261000      1.162000      47.10221      106.1  
1 1 1 13 41 32 o 5.658000       1.191000      144.2486      -153.9 
1 1 1 13 41 33 o -0.7704000     1.138000      152.9525      -2.6   
1 1 1 13 41 34 o -1.554000      1.180000      86.97256      173.2  
1 1 1 13 41 35 o 1.336000       1.204000      192.6009      131.8  
1 1 1 13 41 36 o 0.2344000      1.263000      6.490513      -42.1  
1 1 1 13 41 37 o -2.074000      1.232000      ?             ?      
1 1 1 13 41 38 o 5.573000       1.297000      ?             ?      
1 1 1 13 41 39 o 2.161000       0.9223000     ?             ?      
1 1 1 13 41 40 o 0.4693000      0.9198000     ?             ?      
1 1 1 13 41 41 o -0.4637000     0.9211000     ?             ?      
1 1 1 13 41 42 o 3.053000       0.9662000     ?             ?      
1 1 1 13 41 43 o 0.5232000      1.066000      ?             ?      
1 1 1 13 41 44 o -1.119000      1.055000      ?             ?      
1 1 1 13 41 45 o 2.591000       0.9739000     ?             ?      
1 1 1 13 41 46 o 0.2427000      0.9483000     ?             ?      
1 1 1 13 41 47 o 0.4995000      1.014000      ?             ?      
1 1 1 13 41 48 o -0.8846000     1.173000      ?             ?      
1 1 1 13 41 49 o 1.048000       1.284000      ?             ?      
1 1 1 13 41 50 o -1.531000      1.157000      ?             ?      
1 1 1 13 41 51 o 0.1168000E-01  1.157000      ?             ?      
1 1 1 13 41 52 o 0.6841000      1.062000      ?             ?      
1 1 1 13 41 53 o 1.860000       1.092000      ?             ?      
1 1 1 13 41 54 o 0.6324000      1.255000      ?             ?      
1 1 1 13 41 55 o 1.018000       1.408000      ?             ?      
1 1 1 13 41 56 o -0.5393000     1.304000      ?             ?      
1 1 1 13 41 57 o 0.1692000      1.260000      ?             ?      
1 1 1 13 41 58 o 3.284000       1.397000      ?             ?      
1 1 1 13 42 0  o -1.280000      1.132000      65.07903      -90.0  
1 1 1 13 42 1  o -0.1404000     0.8021000     94.80658      6.9    
1 1 1 13 42 2  o 0.2357000      0.7924000     66.10027      -129.5 
1 1 1 13 42 3  f -0.2432000     0.7929000     162.7834      77.0   
1 1 1 13 42 4  o 5.073000       0.8622000     108.7561      135.1  
1 1 1 13 42 5  o 0.1935000      0.8257000     74.47137      -120.5 
1 1 1 13 42 6  o 2.422000       0.8618000     109.9802      165.1  
1 1 1 13 42 7  o 0.3797000      0.8827000     33.65937      -106.6 
1 1 1 13 42 8  o 2.247000       0.9529000     94.13822      0.4    
1 1 1 13 42 9  o 3.597000       0.9787000     19.04309      -113.2 
1 1 1 13 42 10 o 6.778000       1.354000      186.8872      -130.4 
1 1 1 13 42 11 o 1.294000       1.744000      49.77785      103.8  
1 1 1 13 42 12 o 1.187000       0.9679000     40.95829      171.4  
1 1 1 13 42 13 o 2.473000       0.9516000     35.00311      -33.3  
1 1 1 13 42 14 o 2.111000       0.9871000     125.2725      -131.0 
1 1 1 13 42 15 o 0.6379000      1.211000      88.47548      -122.1 
1 1 1 13 42 16 o 0.4008000      1.206000      37.16954      84.2   
1 1 1 13 42 17 o 3.162000       1.254000      176.2868      114.0  
1 1 1 13 42 18 o 0.5718000      1.247000      110.5510      156.2  
1 1 1 13 42 19 o 1.277000       1.238000      58.62992      -67.7  
1 1 1 13 42 20 o 3.724000       1.258000      81.83079      39.9   
1 1 1 13 42 21 o 7.162000       1.333000      152.8633      -89.8  
1 1 1 13 42 22 o -0.8798000     1.349000      71.24137      -32.9  
1 1 1 13 42 23 o 3.190000       1.423000      131.4973      -91.7  
1 1 1 13 42 24 o -0.8874000     1.397000      124.0647      125.7  
1 1 1 13 42 25 o 0.7106000      1.873000      116.4665      166.8  
1 1 1 13 42 26 o -1.936000      1.879000      51.83775      -33.3  
1 1 1 13 42 27 o 1.389000       1.461000      84.02404      109.7  
1 1 1 13 42 28 o 0.6457000      1.378000      63.27609      -107.9 
1 1 1 13 42 29 o 1.325000       1.397000      12.42558      32.4   
1 1 1 13 42 30 o 0.1349000      1.199000      65.31960      -52.7  
1 1 1 13 42 31 o 1.603000       1.195000      99.16100      155.4  
1 1 1 13 42 32 o 2.738000       1.191000      114.6607      -131.1 
1 1 1 13 42 33 o 1.063000       1.147000      63.19277      -31.1  
1 1 1 13 42 34 o -0.7389000     1.139000      122.9495      94.1   
1 1 1 13 42 35 o 4.339000       1.262000      ?             ?      
1 1 1 13 42 36 o 1.082000       1.178000      ?             ?      
1 1 1 13 42 37 o -1.034000      1.158000      ?             ?      
1 1 1 13 42 38 o 4.002000       1.410000      ?             ?      
1 1 1 13 42 39 o -1.864000      1.224000      ?             ?      
1 1 1 13 42 40 o -0.8525000     0.9384000     ?             ?      
1 1 1 13 42 41 o 0.7183000      0.8917000     ?             ?      
1 1 1 13 42 42 o 1.055000       0.9496000     ?             ?      
1 1 1 13 42 43 o 2.855000       1.028000      ?             ?      
1 1 1 13 42 44 o -0.4539000     0.9595000     ?             ?      
1 1 1 13 42 45 o -0.2374000     0.9266000     ?             ?      
1 1 1 13 42 46 o 2.887000       0.9567000     ?             ?      
1 1 1 13 42 47 o 0.1563000E-01  0.9339000     ?             ?      
1 1 1 13 42 48 o -0.4021000     0.9902000     ?             ?      
1 1 1 13 42 49 o 0.5561000      1.158000      ?             ?      
1 1 1 13 42 50 o 2.334000       1.301000      ?             ?      
1 1 1 13 42 51 o -0.3957000     1.162000      ?             ?      
1 1 1 13 42 52 o 0.5083000E-01  1.067000      ?             ?      
1 1 1 13 42 53 o -0.5813000     1.087000      ?             ?      
1 1 1 13 42 54 o 1.866000       1.105000      ?             ?      
1 1 1 13 42 55 o -2.116000      1.428000      ?             ?      
1 1 1 13 42 56 o 0.6100000      1.621000      ?             ?      
1 1 1 13 42 57 o -1.700000      1.505000      ?             ?      
1 1 1 13 43 0  o 0.9721000      1.196000      25.02378      90.0   
1 1 1 13 43 1  o 1.103000       0.8424000     33.73342      67.5   
1 1 1 13 43 2  o 1.237000       0.8420000     128.3121      130.6  
1 1 1 13 43 3  o 2.508000       0.8395000     74.73488      -128.3 
1 1 1 13 43 4  o 0.4455000      0.8465000     74.41882      147.2  
1 1 1 13 43 5  o -0.3324000     0.8343000     48.51068      -64.6  
1 1 1 13 43 6  o 0.6766000      0.8515000     67.37901      -25.2  
1 1 1 13 43 7  o -0.2796000     0.8540000     30.23496      2.8    
1 1 1 13 43 8  f 1.092000       0.9298000     39.91544      -147.4 
1 1 1 13 43 9  o 0.3681000      0.9819000     74.03603      123.4  
1 1 1 13 43 10 o 0.8020000E-01  1.050000      89.10225      -135.1 
1 1 1 13 43 11 o 2.172000       1.778000      124.4037      -40.2  
1 1 1 13 43 12 o 1.913000       0.9840000     98.60314      54.5   
1 1 1 13 43 13 o 2.027000       0.9789000     70.14610      -103.7 
1 1 1 13 43 14 o 1.083000       1.008000      72.34038      -41.8  
1 1 1 13 43 15 f 0.6766000      1.208000      37.46445      -13.2  
1 1 1 13 43 16 o 8.050000       1.305000      113.6510      -152.7 
1 1 1 13 43 17 o 3.237000       1.298000      137.6306      -45.5  
1 1 1 13 43 18 o -0.8443000     1.242000      109.4917      -60.9  
1 1 1 13 43 19 o 2.349000       1.298000      32.89537      164.1  
1 1 1 13 43 20 o -1.751000      1.381000      28.25820      -29.6  
1 1 1 13 43 21 o -1.021000      1.310000      71.28392      -6.4   
1 1 1 13 43 22 o -0.1126000     1.346000      56.09710      -7.1   
1 1 1 13 43 23 o -0.3906000     1.363000      40.77842      52.6   
1 1 1 13 43 24 o 2.329000       1.414000      107.6761      24.9   
1 1 1 13 43 25 o 1.389000       1.939000      107.2811      -25.8  
1 1 1 13 43 26 o 2.733000       1.516000      128.1069      139.1  
1 1 1 13 43 27 o 5.042000       2.146000      106.3337      -89.0  
1 1 1 13 43 28 o 1.679000       2.131000      96.67090      -130.7 
1 1 1 13 43 29 o 7.191000       1.311000      108.1581      -164.1 
1 1 1 13 43 30 o 0.5221000      1.189000      104.3671      -34.3  
1 1 1 13 43 31 o -2.604000      1.180000      82.57980      -11.6  
1 1 1 13 43 32 o 0.6426000      1.164000      31.74014      -151.3 
1 1 1 13 43 33 o 2.232000       1.173000      20.12220      17.2   
1 1 1 13 43 34 o 8.614000       1.252000      ?             ?      
1 1 1 13 43 35 o 0.8320000      1.137000      ?             ?      
1 1 1 13 43 36 o 1.810000       1.161000      ?             ?      
1 1 1 13 43 37 o 1.115000       1.170000      ?             ?      
1 1 1 13 43 38 o -1.982000      1.135000      ?             ?      
1 1 1 13 43 39 o 0.2430000      1.231000      ?             ?      
1 1 1 13 43 40 o 0.9313000      1.180000      ?             ?      
1 1 1 13 43 41 o 3.318000       0.9795000     ?             ?      
1 1 1 13 43 42 o -0.9225000     0.9705000     ?             ?      
1 1 1 13 43 43 o 1.161000       1.012000      ?             ?      
1 1 1 13 43 44 o 0.4658000      0.9117000     ?             ?      
1 1 1 13 43 45 o 0.7391000      0.9027000     ?             ?      
1 1 1 13 43 46 o -1.012000      0.9152000     ?             ?      
1 1 1 13 43 47 o 0.6853000      0.9269000     ?             ?      
1 1 1 13 43 48 o 0.3873000      0.9437000     ?             ?      
1 1 1 13 43 49 o 0.8764000      0.9438000     ?             ?      
1 1 1 13 43 50 o 0.9422000      1.157000      ?             ?      
1 1 1 13 43 51 o -0.2985000E-01 1.279000      ?             ?      
1 1 1 13 43 52 o 1.262000       1.168000      ?             ?      
1 1 1 13 43 53 o 2.308000       1.104000      ?             ?      
1 1 1 13 43 54 o 1.108000       1.109000      ?             ?      
1 1 1 13 43 55 o 2.270000       1.293000      ?             ?      
1 1 1 13 43 56 o -0.2621000     1.472000      ?             ?      
1 1 1 13 44 0  o 4.482000       1.262000      125.4981      -90.0  
1 1 1 13 44 1  o -0.1419000     0.8603000     83.28468      -95.5  
1 1 1 13 44 2  o -0.8479000     0.8624000     107.8971      89.0   
1 1 1 13 44 3  o 2.536000       0.8843000     88.93216      -112.3 
1 1 1 13 44 4  o 0.8176000      0.8680000     142.1458      -45.3  
1 1 1 13 44 5  o -0.6806000     0.8820000     148.6766      1.0    
1 1 1 13 44 6  o 2.162000       0.9277000     79.55419      107.7  
1 1 1 13 44 7  o 0.2490000      0.8585000     98.92204      -141.1 
1 1 1 13 44 8  o 0.3950000      0.8404000     37.71847      114.7  
1 1 1 13 44 9  o -0.9973000     0.9772000     34.70053      -95.7  
1 1 1 13 44 10 o 2.447000       1.833000      76.83765      56.8   
1 1 1 13 44 11 o 2.053000       1.816000      62.55174      -69.7  
1 1 1 13 44 12 o 1.266000       0.9782000     63.08327      135.4  
1 1 1 13 44 13 o 3.024000       1.232000      102.8875      159.6  
1 1 1 13 44 14 o -0.1702000E-01 1.041000      87.99161      -154.1 
1 1 1 13 44 15 o 2.893000       1.280000      134.9061      30.8   
1 1 1 13 44 16 o -1.081000      1.286000      113.0915      38.6   
1 1 1 13 44 17 o 3.289000       1.392000      159.6039      96.3   
1 1 1 13 44 18 o -0.3937000     1.418000      108.6820      -50.4  
1 1 1 13 44 19 o -0.5168000     1.354000      104.9330      41.1   
1 1 1 13 44 20 o 2.968000       1.380000      121.5555      80.6   
1 1 1 13 44 21 o -0.5927000     1.375000      47.48871      -25.5  
1 1 1 13 44 22 o 5.243000       1.452000      147.9411      -120.7 
1 1 1 13 44 23 o 3.054000       1.461000      129.7010      116.8  
1 1 1 13 44 24 o -0.8095000     1.917000      63.62177      116.8  
1 1 1 13 44 25 o 0.7731000      1.947000      81.07315      2.5    
1 1 1 13 44 26 o 0.6905000      1.482000      72.73148      65.5   
1 1 1 13 44 27 o 1.450000       2.113000      23.24710      -147.1 
1 1 1 13 44 28 o 5.174000       2.198000      138.6320      27.2   
1 1 1 13 44 29 o 0.4879000      1.505000      37.02524      -117.4 
1 1 1 13 44 30 o 5.569000       1.532000      180.5182      56.0   
1 1 1 13 44 31 o 1.542000       1.169000      98.84747      22.6   
1 1 1 13 44 32 o 1.316000       1.203000      ?             ?      
1 1 1 13 44 33 o 1.568000       1.171000      ?             ?      
1 1 1 13 44 34 o 1.824000       1.167000      ?             ?      
1 1 1 13 44 35 o 1.004000       1.119000      ?             ?      
1 1 1 13 44 36 o -1.279000      1.087000      ?             ?      
1 1 1 13 44 37 o 1.037000       1.098000      ?             ?      
1 1 1 13 44 38 o 1.178000       1.180000      ?             ?      
1 1 1 13 44 39 o 1.434000       1.119000      ?             ?      
1 1 1 13 44 40 o 1.509000       1.293000      ?             ?      
1 1 1 13 44 41 o 1.916000       1.450000      ?             ?      
1 1 1 13 44 42 o -0.3602000     1.312000      ?             ?      
1 1 1 13 44 43 o 1.150000       0.8723000     ?             ?      
1 1 1 13 44 44 o 1.379000       0.8658000     ?             ?      
1 1 1 13 44 45 o 2.236000       0.8968000     ?             ?      
1 1 1 13 44 46 o 1.353000       0.9045000     ?             ?      
1 1 1 13 44 47 f 0.3680000      0.9197000     ?             ?      
1 1 1 13 44 48 o 0.4393000      0.9347000     ?             ?      
1 1 1 13 44 49 o -0.7672000     0.9524000     ?             ?      
1 1 1 13 44 50 o 0.6925000      0.9399000     ?             ?      
1 1 1 13 44 51 o 2.307000       1.228000      ?             ?      
1 1 1 13 44 52 o 0.8911000      1.304000      ?             ?      
1 1 1 13 44 53 o 0.3598000      1.179000      ?             ?      
1 1 1 13 44 54 o -0.5093000     1.080000      ?             ?      
1 1 1 13 44 55 o 1.079000       1.301000      ?             ?      
1 1 1 13 45 0  o 2.143000       1.254000      194.1246      90.0   
1 1 1 13 45 1  o -0.7497000     0.8692000     22.11446      -78.8  
1 1 1 13 45 2  o 2.632000       0.8922000     149.6257      105.6  
1 1 1 13 45 3  o 1.168000       0.8845000     93.25663      -171.5 
1 1 1 13 45 4  o 3.613000       0.9109000     75.80445      167.3  
1 1 1 13 45 5  o 4.338000       0.9359000     173.3997      -108.3 
1 1 1 13 45 6  o 2.651000       0.9193000     124.7358      -51.5  
1 1 1 13 45 7  o 1.361000       0.8584000     143.9928      98.0   
1 1 1 13 45 8  o 1.774000       0.9406000     66.48582      144.1  
1 1 1 13 45 9  o 1.061000       0.9520000     153.8081      -157.5 
1 1 1 13 45 10 o -0.2300000     1.890000      112.3846      9.3    
1 1 1 13 45 11 o -1.416000      1.314000      88.69776      50.8   
1 1 1 13 45 12 o 0.4961000E-01  1.022000      185.7997      -88.9  
1 1 1 13 45 13 o -0.2468000     1.003000      56.14813      -166.3 
1 1 1 13 45 14 o 1.810000       1.093000      106.2411      35.1   
1 1 1 13 45 15 o 0.1216000      1.345000      58.30054      98.9   
1 1 1 13 45 16 o 1.155000       1.141000      109.5229      -165.4 
1 1 1 13 45 17 o -1.214000      1.341000      34.72859      92.8   
1 1 1 13 45 18 o 7.623000       1.437000      292.9696      166.6  
1 1 1 13 45 19 o 4.022000       1.401000      175.1744      148.9  
1 1 1 13 45 20 o 2.968000       1.402000      192.9046      19.5   
1 1 1 13 45 21 o 0.1250000      1.380000      45.78965      98.0   
1 1 1 13 45 22 o -1.363000      1.401000      60.54792      -143.0 
1 1 1 13 45 23 o 0.7435000E-01  1.440000      117.3960      64.4   
1 1 1 13 45 24 o -1.418000      1.908000      25.78871      49.1   
1 1 1 13 45 25 o 1.350000       1.507000      249.8692      -104.7 
1 1 1 13 45 26 o -4.471000      2.104000      30.40708      107.0  
1 1 1 13 45 27 o 1.514000       2.111000      117.9513      -74.6  
1 1 1 13 45 28 o -0.5358000E-01 1.459000      124.6514      174.8  
1 1 1 13 45 29 o -1.924000      1.467000      79.60260      100.0  
1 1 1 13 45 30 o -0.5803000     1.512000      ?             ?      
1 1 1 13 45 31 o 3.557000       1.551000      ?             ?      
1 1 1 13 45 32 o 3.039000       1.164000      ?             ?      
1 1 1 13 45 33 o 2.355000       1.159000      ?             ?      
1 1 1 13 45 34 o 2.322000       1.149000      ?             ?      
1 1 1 13 45 35 o -0.4164000     1.116000      ?             ?      
1 1 1 13 45 36 o 1.335000       1.101000      ?             ?      
1 1 1 13 45 37 o -0.8598000E-01 1.078000      ?             ?      
1 1 1 13 45 38 o 4.858000       1.114000      ?             ?      
1 1 1 13 45 39 o 1.596000       1.107000      ?             ?      
1 1 1 13 45 40 o 1.447000       1.261000      ?             ?      
1 1 1 13 45 41 o 0.3398000      1.246000      ?             ?      
1 1 1 13 45 42 f 1.529000       1.535000      ?             ?      
1 1 1 13 45 43 f 0.6237000      1.245000      ?             ?      
1 1 1 13 45 44 o 1.038000       0.9136000     ?             ?      
1 1 1 13 45 45 o 0.2737000      0.8561000     ?             ?      
1 1 1 13 45 46 o 1.334000       0.8837000     ?             ?      
1 1 1 13 45 47 o 0.9936000      0.9029000     ?             ?      
1 1 1 13 45 48 o 0.3607000      0.9147000     ?             ?      
1 1 1 13 45 49 o 0.5967000      0.9380000     ?             ?      
1 1 1 13 45 50 o 0.6445000      0.9539000     ?             ?      
1 1 1 13 45 51 o 1.174000       1.087000      ?             ?      
1 1 1 13 45 52 o 0.7236000      1.231000      ?             ?      
1 1 1 13 45 53 o -1.109000      1.314000      ?             ?      
1 1 1 13 45 54 o 0.5888000      1.612000      ?             ?      
1 1 1 13 46 0  o -1.850000      1.260000      26.00778      90.0   
1 1 1 13 46 1  o 2.067000       0.9605000     90.68118      -166.0 
1 1 1 13 46 2  o 0.7188000      0.9038000     89.70782      -138.7 
1 1 1 13 46 3  o 1.756000       0.8996000     210.6622      -58.0  
1 1 1 13 46 4  o 0.3418000      0.9532000     100.6686      83.8   
1 1 1 13 46 5  o 2.426000       1.006000      156.4742      -106.0 
1 1 1 13 46 6  o 0.9276000      0.8985000     85.27874      137.5  
1 1 1 13 46 7  o 3.779000       0.8395000     243.6887      -1.8   
1 1 1 13 46 8  o -0.5834000     1.051000      26.43098      25.9   
1 1 1 13 46 9  o -0.1681000     1.057000      194.8195      -60.1  
1 1 1 13 46 10 o -0.3899000     1.990000      215.9379      124.7  
1 1 1 13 46 11 o 0.3987000      1.460000      189.7020      73.1   
1 1 1 13 46 12 o -1.189000      1.141000      180.2675      106.4  
1 1 1 13 46 13 o 0.1824000      1.078000      86.50455      152.1  
1 1 1 13 46 14 o 6.608000       1.118000      282.0799      -166.6 
1 1 1 13 46 15 o -0.9897000     1.332000      99.50953      -160.5 
1 1 1 13 46 16 o 3.406000       1.375000      122.2152      -151.9 
1 1 1 13 46 17 o 7.299000       1.439000      208.8613      -163.2 
1 1 1 13 46 18 o 0.6771000      1.397000      90.52457      0.8    
1 1 1 13 46 19 o 1.481000       1.400000      99.03533      -85.3  
1 1 1 13 46 20 o -0.6711000     1.354000      65.90691      -42.4  
1 1 1 13 46 21 o 1.451000       1.395000      90.77751      -133.6 
1 1 1 13 46 22 o 1.293000       1.411000      208.1394      -95.9  
1 1 1 13 46 23 o -0.4336000     1.875000      185.0030      46.7   
1 1 1 13 46 24 o 2.869000       1.943000      240.2133      -55.2  
1 1 1 13 46 25 o -2.112000      1.465000      195.7899      -35.5  
1 1 1 13 46 26 o 2.353000       2.223000      72.19443      33.4   
1 1 1 13 46 27 o -0.4924000     2.150000      114.4716      159.5  
1 1 1 13 46 28 o -0.9632000     1.467000      ?             ?      
1 1 1 13 46 29 o 4.962000       1.649000      ?             ?      
1 1 1 13 46 30 o -1.168000      1.495000      ?             ?      
1 1 1 13 46 31 o 0.3281000      1.492000      ?             ?      
1 1 1 13 46 32 o -3.010000      1.484000      ?             ?      
1 1 1 13 46 33 o 0.2940000      1.165000      ?             ?      
1 1 1 13 46 34 o -0.6452000     1.121000      ?             ?      
1 1 1 13 46 35 o 4.121000       1.177000      ?             ?      
1 1 1 13 46 36 o -0.1313000     1.100000      ?             ?      
1 1 1 13 46 37 o 1.024000       1.114000      ?             ?      
1 1 1 13 46 38 o -1.110000      1.057000      ?             ?      
1 1 1 13 46 39 o -0.8154000     1.166000      ?             ?      
1 1 1 13 46 40 o 1.723000       1.181000      ?             ?      
1 1 1 13 46 41 o -1.002000      1.108000      ?             ?      
1 1 1 13 46 42 o -1.826000      1.202000      ?             ?      
1 1 1 13 46 43 o 0.3010000      1.168000      ?             ?      
1 1 1 13 46 44 o -0.1220000     1.169000      ?             ?      
1 1 1 13 46 45 o -1.466000      0.9147000     ?             ?      
1 1 1 13 46 46 o 0.4913000      0.8422000     ?             ?      
1 1 1 13 46 47 o -0.1514000     0.8737000     ?             ?      
1 1 1 13 46 48 o 0.1991000      0.9061000     ?             ?      
1 1 1 13 46 49 o 0.7323000      0.9188000     ?             ?      
1 1 1 13 46 50 o -0.3453000E-01 0.9429000     ?             ?      
1 1 1 13 46 51 o -0.8385000     1.005000      ?             ?      
1 1 1 13 46 52 o -0.2435000     1.200000      ?             ?      
1 1 1 13 46 53 o 2.540000       1.701000      ?             ?      
1 1 1 13 47 0  o 3.023000       1.368000      153.8932      -90.0  
1 1 1 13 47 1  o 0.1422000      0.9417000     207.7647      -9.4   
1 1 1 13 47 2  o 0.2970000      1.022000      108.6965      59.9   
1 1 1 13 47 3  o 4.649000       0.9533000     210.6341      -105.8 
1 1 1 13 47 4  o 4.169000       0.9951000     319.9442      33.8   
1 1 1 13 47 5  o 1.824000       1.126000      106.4856      156.4  
1 1 1 13 47 6  o 4.901000       1.061000      342.2995      27.4   
1 1 1 13 47 7  o -0.7148000     0.8269000     66.92413      -165.8 
1 1 1 13 47 8  o 1.009000       1.007000      152.7677      131.2  
1 1 1 13 47 9  o -1.387000      0.9445000     200.5098      -76.7  
1 1 1 13 47 10 o 6.866000       1.732000      288.5069      46.9   
1 1 1 13 47 11 o -0.6438000     1.208000      136.7267      -149.2 
1 1 1 13 47 12 o 2.769000       1.061000      164.7505      -159.6 
1 1 1 13 47 13 o 3.152000       1.034000      278.9323      -50.6  
1 1 1 13 47 14 o -1.266000      1.024000      72.32980      -50.2  
1 1 1 13 47 15 o 5.070000       1.403000      179.8776      -56.6  
1 1 1 13 47 16 o 2.490000       1.365000      48.84742      167.2  
1 1 1 13 47 17 o 3.540000       1.387000      177.6409      86.8   
1 1 1 13 47 18 o 0.5181000      1.378000      62.38041      76.9   
1 1 1 13 47 19 o 2.163000       1.398000      175.2966      120.4  
1 1 1 13 47 20 o 3.125000       1.409000      143.4395      1.3    
1 1 1 13 47 21 o 2.108000       1.400000      168.5587      48.3   
1 1 1 13 47 22 o 0.7872000      1.827000      89.93950      3.0    
1 1 1 13 47 23 o 4.193000       2.008000      310.4493      26.1   
1 1 1 13 47 24 o -2.540000      1.625000      123.5875      -91.5  
1 1 1 13 47 25 o 3.176000       2.346000      187.7455      9.8    
1 1 1 13 47 26 o 0.9523000E-01  2.210000      ?             ?      
1 1 1 13 47 27 o 3.040000       1.649000      ?             ?      
1 1 1 13 47 28 o 0.2466000      1.613000      ?             ?      
1 1 1 13 47 29 o 2.482000       1.585000      ?             ?      
1 1 1 13 47 30 o 3.394000       1.577000      ?             ?      
1 1 1 13 47 31 o 1.479000       1.568000      ?             ?      
1 1 1 13 47 32 o 2.611000       1.581000      ?             ?      
1 1 1 13 47 33 o -1.317000      1.553000      ?             ?      
1 1 1 13 47 34 o -0.5119000     1.474000      ?             ?      
1 1 1 13 47 35 o -0.3973000     1.107000      ?             ?      
1 1 1 13 47 36 o 1.104000       1.129000      ?             ?      
1 1 1 13 47 37 o -0.3875000     1.140000      ?             ?      
1 1 1 13 47 38 o 0.8616000      1.090000      ?             ?      
1 1 1 13 47 39 o 2.566000       1.201000      ?             ?      
1 1 1 13 47 40 o -0.1606000     1.049000      ?             ?      
1 1 1 13 47 41 o -0.9777000     1.157000      ?             ?      
1 1 1 13 47 42 o 0.6582000      1.206000      ?             ?      
1 1 1 13 47 43 o 1.334000       1.111000      ?             ?      
1 1 1 13 47 44 o -0.8806000E-01 1.100000      ?             ?      
1 1 1 13 47 45 o 2.271000       1.359000      ?             ?      
1 1 1 13 47 46 o 1.165000       1.189000      ?             ?      
1 1 1 13 47 47 o 0.1877000      0.9316000     ?             ?      
1 1 1 13 47 48 o 0.2050000      0.8719000     ?             ?      
1 1 1 13 47 49 o 1.869000       1.270000      ?             ?      
1 1 1 13 47 50 o 1.060000       0.9598000     ?             ?      
1 1 1 13 47 51 o -0.1391000     1.086000      ?             ?      
1 1 1 13 47 52 o -0.6829000     1.268000      ?             ?      
1 1 1 13 48 0  o 7.721000       1.468000      302.7521      90.0   
1 1 1 13 48 1  o 5.566000       1.007000      307.4316      -75.7  
1 1 1 13 48 2  o 12.82000       1.137000      424.9138      119.2  
1 1 1 13 48 3  o 2.882000       1.122000      164.0751      109.2  
1 1 1 13 48 4  o 0.7559000      1.036000      84.03783      -22.1  
1 1 1 13 48 5  o 1.535000       1.163000      273.5174      107.6  
1 1 1 13 48 6  o -0.3334000     0.9446000     84.67477      -151.6 
1 1 1 13 48 7  o 5.801000       1.069000      352.6589      81.2   
1 1 1 13 48 8  o -1.360000      1.454000      156.8103      34.3   
1 1 1 13 48 9  o 2.079000       0.9707000     102.2593      6.1    
1 1 1 13 48 10 o 1.893000       1.448000      115.3860      91.2   
1 1 1 13 48 11 o -0.9123000     1.166000      164.6730      141.5  
1 1 1 13 48 12 o 0.8402000      1.034000      219.2157      -41.7  
1 1 1 13 48 13 o 0.5036000      1.028000      73.56482      178.8  
1 1 1 13 48 14 o 16.40000       1.527000      502.6688      163.5  
1 1 1 13 48 15 o 5.817000       1.400000      336.6172      177.0  
1 1 1 13 48 16 o 3.621000       1.368000      224.1118      124.0  
1 1 1 13 48 17 o 5.093000       1.382000      181.8379      174.3  
1 1 1 13 48 18 o 0.7922000      0.8485000     63.35276      -11.2  
1 1 1 13 48 19 o 2.610000       1.366000      173.3901      -147.5 
1 1 1 13 48 20 o 4.020000       1.401000      173.5457      129.2  
1 1 1 13 48 21 o -1.370000      1.477000      199.6686      51.4   
1 1 1 13 48 22 o -0.6134000     1.918000      123.7754      2.2    
1 1 1 13 48 23 o 1.520000       2.172000      ?             ?      
1 1 1 13 48 24 o -1.516000      2.793000      ?             ?      
1 1 1 13 48 25 o 7.122000       2.726000      ?             ?      
1 1 1 13 48 26 o 7.651000       2.469000      ?             ?      
1 1 1 13 48 27 o -2.236000      1.880000      ?             ?      
1 1 1 13 48 28 o 0.5111000E-01  1.877000      ?             ?      
1 1 1 13 48 29 o 2.545000       1.893000      ?             ?      
1 1 1 13 48 30 o 3.899000       1.634000      ?             ?      
1 1 1 13 48 31 o 0.1467000      1.584000      ?             ?      
1 1 1 13 48 32 o -0.5127000     1.528000      ?             ?      
1 1 1 13 48 33 o 3.273000       1.564000      ?             ?      
1 1 1 13 48 34 o 7.612000       1.624000      ?             ?      
1 1 1 13 48 35 o 6.490000       1.623000      ?             ?      
1 1 1 13 48 36 o 0.9128000      1.155000      ?             ?      
1 1 1 13 48 37 o -0.7618000     1.096000      ?             ?      
1 1 1 13 48 38 o 1.141000       1.242000      ?             ?      
1 1 1 13 48 39 o 0.4441000      1.223000      ?             ?      
1 1 1 13 48 40 o 0.8696000      1.243000      ?             ?      
1 1 1 13 48 41 o 2.376000       1.197000      ?             ?      
1 1 1 13 48 42 o 0.2441000      1.061000      ?             ?      
1 1 1 13 48 43 o 1.248000       1.072000      ?             ?      
1 1 1 13 48 44 o 0.7493000      1.121000      ?             ?      
1 1 1 13 48 45 o -1.244000      1.107000      ?             ?      
1 1 1 13 48 46 o 0.4090000      1.179000      ?             ?      
1 1 1 13 48 47 o -1.687000      1.438000      ?             ?      
1 1 1 13 48 48 o 1.115000       1.164000      ?             ?      
1 1 1 13 48 49 o -0.9716000     0.9971000     ?             ?      
1 1 1 13 48 50 o -0.1154000     1.149000      ?             ?      
1 1 1 13 48 51 o -0.3007000     1.325000      ?             ?      
1 1 1 13 49 0  o 0.4028000      1.665000      46.88689      90.0   
1 1 1 13 49 1  o 1.235000       1.072000      183.1394      -89.6  
1 1 1 13 49 2  o -2.639000      1.051000      104.7030      -133.2 
1 1 1 13 49 3  o 0.2233000      1.068000      220.8979      -177.9 
1 1 1 13 49 4  o -1.526000      1.194000      122.7970      106.0  
1 1 1 13 49 5  o 0.2198000      1.101000      170.8913      -62.2  
1 1 1 13 49 6  o 4.435000       0.8984000     272.5448      134.2  
1 1 1 13 49 7  o 6.666000       0.9315000     397.3003      102.0  
1 1 1 13 49 8  o 5.179000       1.217000      338.9183      82.0   
1 1 1 13 49 9  o 3.330000       1.171000      301.2510      -65.9  
1 1 1 13 49 10 o 9.642000       1.521000      434.4161      37.3   
1 1 1 13 49 11 o 0.2065000      1.172000      188.8797      19.0   
1 1 1 13 49 12 o 0.8657000      1.045000      137.9221      -105.3 
1 1 1 13 49 13 o 8.021000       1.419000      485.4691      -41.6  
1 1 1 13 49 14 o -0.3997000     1.029000      86.49657      -132.3 
1 1 1 13 49 15 o 9.721000       1.423000      500.1462      -80.4  
1 1 1 13 49 16 o 0.8619000      1.336000      89.39314      -27.4  
1 1 1 13 49 17 o 1.904000       1.322000      59.73311      172.1  
1 1 1 13 49 18 o 0.5720000      1.327000      153.8360      -106.6 
1 1 1 13 49 19 o 2.433000       1.333000      167.1428      -174.6 
1 1 1 13 49 20 o -0.2083000     1.482000      ?             ?      
1 1 1 13 49 21 o -1.496000      1.945000      ?             ?      
1 1 1 13 49 22 o 7.639000       2.779000      ?             ?      
1 1 1 13 49 23 o 0.7265000      2.498000      ?             ?      
1 1 1 13 49 24 o 3.173000       2.192000      ?             ?      
1 1 1 13 49 25 o 4.795000       2.385000      ?             ?      
1 1 1 13 49 26 o -0.3516000     1.874000      ?             ?      
1 1 1 13 49 27 o -0.8053000     1.865000      ?             ?      
1 1 1 13 49 28 o 6.631000       1.959000      ?             ?      
1 1 1 13 49 29 o -5.052000      1.877000      ?             ?      
1 1 1 13 49 30 o 1.317000       1.915000      ?             ?      
1 1 1 13 49 31 o -0.1727000     1.832000      ?             ?      
1 1 1 13 49 32 o 1.262000       1.866000      ?             ?      
1 1 1 13 49 33 o -2.091000      1.603000      ?             ?      
1 1 1 13 49 34 o 3.264000       1.630000      ?             ?      
1 1 1 13 49 35 o 2.838000       1.575000      ?             ?      
1 1 1 13 49 36 o 1.648000       1.577000      ?             ?      
1 1 1 13 49 37 o -1.126000      1.589000      ?             ?      
1 1 1 13 49 38 o -0.1408000E-01 1.330000      ?             ?      
1 1 1 13 49 39 o 1.086000       1.242000      ?             ?      
1 1 1 13 49 40 o -0.4067000     1.290000      ?             ?      
1 1 1 13 49 41 o 0.1628000      1.273000      ?             ?      
1 1 1 13 49 42 o -0.5517000E-01 1.084000      ?             ?      
1 1 1 13 49 43 o 0.7408000      1.051000      ?             ?      
1 1 1 13 49 44 o 0.9770000      1.087000      ?             ?      
1 1 1 13 49 45 o -0.5878000     1.095000      ?             ?      
1 1 1 13 49 46 o 1.415000       1.130000      ?             ?      
1 1 1 13 49 47 o 0.2079000      1.399000      ?             ?      
1 1 1 13 49 48 o -0.6411000     1.448000      ?             ?      
1 1 1 13 49 49 o 0.2512000      1.510000      ?             ?      
1 1 1 13 49 50 o -1.764000      1.411000      ?             ?      
1 1 1 13 50 0  o -1.913000      1.649000      90.62215      90.0   
1 1 1 13 50 1  o 4.388000       1.124000      326.1509      42.9   
1 1 1 13 50 2  o 1.133000       1.051000      143.7308      100.5  
1 1 1 13 50 3  o 0.9562000      1.157000      123.1993      -53.9  
1 1 1 13 50 4  o 0.4141000      1.112000      83.71137      -60.6  
1 1 1 13 50 5  o 8.295000       1.091000      381.8016      137.0  
1 1 1 13 50 6  o 7.528000       0.9415000     354.8697      -170.7 
1 1 1 13 50 7  o 1.105000       0.9328000     106.2312      125.1  
1 1 1 13 50 8  o -0.1004000     0.9898000     122.2304      108.1  
1 1 1 13 50 9  o 3.213000       0.9849000     429.5028      134.6  
1 1 1 13 50 10 o -0.4186000     1.468000      191.0722      -127.2 
1 1 1 13 50 11 o 0.9597000      1.174000      73.53408      115.8  
1 1 1 13 50 12 o 1.200000       1.033000      153.9187      -94.5  
1 1 1 13 50 13 o 2.405000       1.014000      287.3415      89.5   
1 1 1 13 50 14 o 1.701000       1.015000      235.1980      79.1   
1 1 1 13 50 15 o -0.7640000     1.318000      68.55349      -165.0 
1 1 1 13 50 16 o 8.814000       1.412000      ?             ?      
1 1 1 13 50 17 o 0.2081000      1.332000      ?             ?      
1 1 1 13 50 18 o 4.214000       1.383000      ?             ?      
1 1 1 13 50 19 o -0.2706000E-01 1.452000      ?             ?      
1 1 1 13 50 20 o 2.110000       1.462000      ?             ?      
1 1 1 13 50 21 o 0.1265000      2.041000      ?             ?      
1 1 1 13 50 22 o 2.153000       2.623000      ?             ?      
1 1 1 13 50 23 o -0.6724000     2.226000      ?             ?      
1 1 1 13 50 24 o 4.157000       2.596000      ?             ?      
1 1 1 13 50 25 o 0.5728000E-02  2.333000      ?             ?      
1 1 1 13 50 26 o 6.771000       1.933000      ?             ?      
1 1 1 13 50 27 o 0.7693000      1.869000      ?             ?      
1 1 1 13 50 28 o 2.233000       1.852000      ?             ?      
1 1 1 13 50 29 o 6.722000       1.903000      ?             ?      
1 1 1 13 50 30 o -2.469000      1.847000      ?             ?      
1 1 1 13 50 31 o 0.5882000      1.845000      ?             ?      
1 1 1 13 50 32 o 5.205000       1.900000      ?             ?      
1 1 1 13 50 33 o 0.4706000      1.886000      ?             ?      
1 1 1 13 50 34 o 0.5974000      1.880000      ?             ?      
1 1 1 13 50 35 o 2.131000       1.609000      ?             ?      
1 1 1 13 50 36 o 3.853000       1.631000      ?             ?      
1 1 1 13 50 37 o -2.634000      2.105000      ?             ?      
1 1 1 13 50 38 o 3.208000       2.214000      ?             ?      
1 1 1 13 50 39 o 1.246000       1.396000      ?             ?      
1 1 1 13 50 40 o 1.134000       1.356000      ?             ?      
1 1 1 13 50 41 o -2.046000      1.195000      ?             ?      
1 1 1 13 50 42 o 0.4498000      1.144000      ?             ?      
1 1 1 13 50 43 o 0.7651000      1.107000      ?             ?      
1 1 1 13 50 44 o 0.5329000      1.098000      ?             ?      
1 1 1 13 50 45 o 0.4116000      0.9719000     ?             ?      
1 1 1 13 50 46 o -0.9029000     2.673000      ?             ?      
1 1 1 13 50 47 o -0.9799000     1.434000      ?             ?      
1 1 1 13 50 48 o 2.677000       2.734000      ?             ?      
1 1 1 13 51 0  o 1.884000       1.439000      261.9971      90.0   
1 1 1 13 51 1  o 4.288000       1.188000      299.8118      -79.8  
1 1 1 13 51 2  o 8.711000       1.209000      414.0541      130.3  
1 1 1 13 51 3  o 5.032000       1.134000      337.4572      47.6   
1 1 1 13 51 4  o 2.316000       1.025000      53.83814      50.1   
1 1 1 13 51 5  o 2.210000       0.9404000     208.3825      105.9  
1 1 1 13 51 6  o 3.720000       0.9364000     462.2822      157.6  
1 1 1 13 51 7  o 1.031000       1.001000      204.4873      -176.7 
1 1 1 13 51 8  o 14.94000       2.418000      432.8175      -76.9  
1 1 1 13 51 9  o 2.202000       0.9695000     303.6053      -69.2  
1 1 1 13 51 10 o 10.73000       1.544000      433.2200      39.9   
1 1 1 13 51 11 o 1.890000       1.162000      ?             ?      
1 1 1 13 51 12 o 1.155000       1.010000      ?             ?      
1 1 1 13 51 13 o 2.546000       1.006000      ?             ?      
1 1 1 13 51 14 o 6.203000       1.354000      ?             ?      
1 1 1 13 51 15 o 4.001000       1.359000      ?             ?      
1 1 1 13 51 16 o 0.3160000      1.326000      ?             ?      
1 1 1 13 51 17 o -0.4627000     1.325000      ?             ?      
1 1 1 13 51 18 o 2.080000       1.447000      ?             ?      
1 1 1 13 51 19 o -0.6985000     1.435000      ?             ?      
1 1 1 13 51 20 o 0.9883000      1.930000      ?             ?      
1 1 1 13 51 21 o -1.174000      2.551000      ?             ?      
1 1 1 13 51 22 o 1.342000       2.336000      ?             ?      
1 1 1 13 51 23 o -0.6086000     2.081000      ?             ?      
1 1 1 13 51 24 o 8.923000       2.446000      ?             ?      
1 1 1 13 51 25 o 1.279000       1.833000      ?             ?      
1 1 1 13 51 26 o 1.261000       1.819000      ?             ?      
1 1 1 13 51 27 o 2.035000       1.813000      ?             ?      
1 1 1 13 51 28 o -0.9567000     1.816000      ?             ?      
1 1 1 13 51 29 o 0.4079000      1.804000      ?             ?      
1 1 1 13 51 30 o 4.397000       1.861000      ?             ?      
1 1 1 13 51 31 o -3.471000      1.817000      ?             ?      
1 1 1 13 51 32 o 0.3658000      1.844000      ?             ?      
1 1 1 13 51 33 o 1.497000       1.895000      ?             ?      
1 1 1 13 51 34 o 0.9113000      1.882000      ?             ?      
1 1 1 13 51 35 o 2.039000       1.916000      ?             ?      
1 1 1 13 51 36 o 5.648000       2.476000      ?             ?      
1 1 1 13 51 37 f 0.9533000      4.100000      ?             ?      
1 1 1 13 51 38 o 5.910000       1.771000      ?             ?      
1 1 1 13 51 39 o 1.110000       2.319000      ?             ?      
1 1 1 13 51 40 o 0.2981000      2.357000      ?             ?      
1 1 1 13 51 41 o -0.3427000     1.193000      ?             ?      
1 1 1 13 51 42 o 0.9097000      1.208000      ?             ?      
1 1 1 13 51 43 o 1.405000       1.580000      ?             ?      
1 1 1 13 51 44 o 0.7310000      1.551000      ?             ?      
1 1 1 13 51 45 o -1.769000      1.465000      ?             ?      
1 1 1 13 51 46 o -0.7457000E-01 1.353000      ?             ?      
1 1 1 13 51 47 o 0.4612000      1.132000      ?             ?      
1 1 1 13 52 0  o 1.226000       1.416000      ?             ?      
1 1 1 13 52 1  o 2.520000       1.111000      ?             ?      
1 1 1 13 52 2  o 2.980000       1.074000      ?             ?      
1 1 1 13 52 3  o 9.599000       1.098000      ?             ?      
1 1 1 13 52 4  o 3.060000       0.9123000     ?             ?      
1 1 1 13 52 5  o 0.5339000E-01  0.9048000     ?             ?      
1 1 1 13 52 6  o 5.502000       0.9983000     ?             ?      
1 1 1 13 52 7  o -0.1057000     0.8934000     ?             ?      
1 1 1 13 52 8  o 0.5863000      0.9280000     ?             ?      
1 1 1 13 52 9  o 1.316000       0.9061000     ?             ?      
1 1 1 13 52 10 o 1.534000       1.455000      ?             ?      
1 1 1 13 52 11 o -0.7469000     1.147000      ?             ?      
1 1 1 13 52 12 o 1.689000       0.9937000     ?             ?      
1 1 1 13 52 13 o 0.5906000      0.9716000     ?             ?      
1 1 1 13 52 14 o 3.921000       1.321000      ?             ?      
1 1 1 13 52 15 o 2.055000       1.316000      ?             ?      
1 1 1 13 52 16 o 8.986000       1.381000      ?             ?      
1 1 1 13 52 17 o 3.981000       1.339000      ?             ?      
1 1 1 13 52 18 o -1.151000      1.390000      ?             ?      
1 1 1 13 52 19 o -1.970000      1.412000      ?             ?      
1 1 1 13 52 20 o 3.060000       2.133000      ?             ?      
1 1 1 13 52 21 o 1.261000       2.491000      ?             ?      
1 1 1 13 52 22 o 4.197000       2.147000      ?             ?      
1 1 1 13 52 23 o 0.8504000      2.458000      ?             ?      
1 1 1 13 52 24 o 2.902000       2.345000      ?             ?      
1 1 1 13 52 25 o -1.683000      1.774000      ?             ?      
1 1 1 13 52 26 o 1.149000       1.491000      ?             ?      
1 1 1 13 52 27 o 0.9565000      1.485000      ?             ?      
1 1 1 13 52 28 o 0.6602000      1.501000      ?             ?      
1 1 1 13 52 29 o -1.061000      1.500000      ?             ?      
1 1 1 13 52 30 o -0.7905000     1.478000      ?             ?      
1 1 1 13 52 31 o 1.302000       1.535000      ?             ?      
1 1 1 13 52 32 o 1.296000       1.538000      ?             ?      
1 1 1 13 52 33 o 0.3030000      1.623000      ?             ?      
1 1 1 13 52 34 o 1.265000       1.909000      ?             ?      
1 1 1 13 52 35 o 3.992000       1.951000      ?             ?      
1 1 1 13 52 36 o 1.457000       2.388000      ?             ?      
1 1 1 13 52 37 o -1.527000      3.058000      ?             ?      
1 1 1 13 52 38 o 0.3350000      2.832000      ?             ?      
1 1 1 13 52 39 o 1.608000       2.539000      ?             ?      
1 1 1 13 52 40 o 0.4945000      1.688000      ?             ?      
1 1 1 13 52 41 o -1.791000      1.346000      ?             ?      
1 1 1 13 52 42 o 0.2248000      1.187000      ?             ?      
1 1 1 13 52 43 o 0.2404000      1.594000      ?             ?      
1 1 1 13 52 44 o 2.424000       1.659000      ?             ?      
1 1 1 13 52 45 o -0.8858000E-02 1.306000      ?             ?      
1 1 1 13 53 0  o 1.954000       1.340000      ?             ?      
1 1 1 13 53 1  o 7.077000       1.002000      ?             ?      
1 1 1 13 53 2  o 0.5657000      1.014000      ?             ?      
1 1 1 13 53 3  o 1.507000       0.9757000     ?             ?      
1 1 1 13 53 4  o 1.035000       0.9430000     ?             ?      
1 1 1 13 53 5  o 0.4704000      1.019000      ?             ?      
1 1 1 13 53 6  o 0.3820000      0.9293000     ?             ?      
1 1 1 13 53 7  o 1.118000       0.8247000     ?             ?      
1 1 1 13 53 8  o 0.2547000E-01  0.9013000     ?             ?      
1 1 1 13 53 9  o -0.5780000     0.8897000     ?             ?      
1 1 1 13 53 10 o -0.4433000     1.903000      ?             ?      
1 1 1 13 53 11 o 1.177000       1.246000      ?             ?      
1 1 1 13 53 12 o 3.977000       1.018000      ?             ?      
1 1 1 13 53 13 o 1.675000       0.9720000     ?             ?      
1 1 1 13 53 14 o 0.6881000      1.283000      ?             ?      
1 1 1 13 53 15 o 0.4929000E-01  1.306000      ?             ?      
1 1 1 13 53 16 o 7.141000       1.380000      ?             ?      
1 1 1 13 53 17 o 2.654000       1.404000      ?             ?      
1 1 1 13 53 18 o 2.574000       1.411000      ?             ?      
1 1 1 13 53 19 o 4.904000       1.867000      ?             ?      
1 1 1 13 53 20 o 0.8357000      2.458000      ?             ?      
1 1 1 13 53 21 o -0.8595000     2.214000      ?             ?      
1 1 1 13 53 22 o 3.734000       2.061000      ?             ?      
1 1 1 13 53 23 o -0.6932000E-01 2.288000      ?             ?      
1 1 1 13 53 24 o 3.610000       1.514000      ?             ?      
1 1 1 13 53 25 o 2.889000       1.464000      ?             ?      
1 1 1 13 53 26 o 1.080000       1.479000      ?             ?      
1 1 1 13 53 27 o 0.6113000      1.472000      ?             ?      
1 1 1 13 53 28 o -0.2955000     1.498000      ?             ?      
1 1 1 13 53 29 o -0.3123000     1.498000      ?             ?      
1 1 1 13 53 30 o 2.253000       1.550000      ?             ?      
1 1 1 13 53 31 o 4.634000       1.600000      ?             ?      
1 1 1 13 53 32 o 0.2992000      1.548000      ?             ?      
1 1 1 13 53 33 o -1.698000      1.531000      ?             ?      
1 1 1 13 53 34 o 3.184000       1.626000      ?             ?      
1 1 1 13 53 35 o 5.716000       2.200000      ?             ?      
1 1 1 13 53 36 o 0.1632000      2.232000      ?             ?      
1 1 1 13 53 37 o -2.317000      2.997000      ?             ?      
1 1 1 13 53 38 o -5.161000      2.587000      ?             ?      
1 1 1 13 53 39 < 0.000000       -1.000000     ?             ?      
1 1 1 13 53 40 o -3.241000      2.473000      ?             ?      
1 1 1 13 53 41 o 4.560000       2.673000      ?             ?      
1 1 1 13 53 42 o 0.9272000      1.441000      ?             ?      
1 1 1 13 53 43 o -0.5587000     1.365000      ?             ?      
1 1 1 13 53 44 o -0.6807000     1.368000      ?             ?      
1 1 1 13 54 0  o -2.726000      1.254000      ?             ?      
1 1 1 13 54 1  o 0.7351000      0.9238000     ?             ?      
1 1 1 13 54 2  o 1.589000       0.9798000     ?             ?      
1 1 1 13 54 3  o 5.329000       0.9615000     ?             ?      
1 1 1 13 54 4  o 0.9679000      0.8397000     ?             ?      
1 1 1 13 54 5  o 0.3315000      0.8828000     ?             ?      
1 1 1 13 54 6  o 4.874000       0.9406000     ?             ?      
1 1 1 13 54 7  o 2.801000       0.8292000     ?             ?      
1 1 1 13 54 8  o -0.1556000     1.005000      ?             ?      
1 1 1 13 54 9  o 1.928000       0.9855000     ?             ?      
1 1 1 13 54 10 o -0.3749000     1.347000      ?             ?      
1 1 1 13 54 11 o 2.512000       1.104000      ?             ?      
1 1 1 13 54 12 o 0.6647000      1.097000      ?             ?      
1 1 1 13 54 13 o 3.015000       1.293000      ?             ?      
1 1 1 13 54 14 o 0.8033000      1.863000      ?             ?      
1 1 1 13 54 15 o 1.726000       1.877000      ?             ?      
1 1 1 13 54 16 o -0.1867000     1.351000      ?             ?      
1 1 1 13 54 17 o 1.423000       1.390000      ?             ?      
1 1 1 13 54 18 o -0.6550000     1.404000      ?             ?      
1 1 1 13 54 19 o -1.315000      2.313000      ?             ?      
1 1 1 13 54 20 o -1.299000      2.246000      ?             ?      
1 1 1 13 54 21 o 2.464000       2.034000      ?             ?      
1 1 1 13 54 22 o 6.761000       2.532000      ?             ?      
1 1 1 13 54 23 o 1.469000       2.116000      ?             ?      
1 1 1 13 54 24 o -1.173000      1.470000      ?             ?      
1 1 1 13 54 25 o -0.6886000E-02 1.475000      ?             ?      
1 1 1 13 54 26 o -0.1589000     1.461000      ?             ?      
1 1 1 13 54 27 o 0.1833000      1.468000      ?             ?      
1 1 1 13 54 28 o 0.6173000      1.493000      ?             ?      
1 1 1 13 54 29 o 1.874000       1.525000      ?             ?      
1 1 1 13 54 30 o -0.9445000     1.499000      ?             ?      
1 1 1 13 54 31 o 2.637000       1.560000      ?             ?      
1 1 1 13 54 32 o 1.306000       1.559000      ?             ?      
1 1 1 13 54 33 o 0.1888000      1.578000      ?             ?      
1 1 1 13 54 34 o 1.414000       1.621000      ?             ?      
1 1 1 13 54 35 o -3.607000      2.088000      ?             ?      
1 1 1 13 54 36 o 0.6669000      1.674000      ?             ?      
1 1 1 13 54 37 o 4.239000       2.363000      ?             ?      
1 1 1 13 54 38 o 3.881000       1.216000      ?             ?      
1 1 1 13 54 39 o 2.785000       1.463000      ?             ?      
1 1 1 13 54 40 o -0.2976000     2.663000      ?             ?      
1 1 1 13 54 41 o -3.318000      2.619000      ?             ?      
1 1 1 13 54 42 o 1.805000       2.660000      ?             ?      
1 1 1 13 55 0  o 4.988000       1.406000      ?             ?      
1 1 1 13 55 1  o 3.715000       1.118000      ?             ?      
1 1 1 13 55 2  o -0.8127000     0.9253000     ?             ?      
1 1 1 13 55 3  o 2.454000       0.8462000     ?             ?      
1 1 1 13 55 4  o 0.2938000      0.8249000     ?             ?      
1 1 1 13 55 5  o 0.9284000      0.8733000     ?             ?      
1 1 1 13 55 6  o 0.5604000      0.8943000     ?             ?      
1 1 1 13 55 7  o 0.5105000      0.7991000     ?             ?      
1 1 1 13 55 8  o 2.178000       0.8705000     ?             ?      
1 1 1 13 55 9  o 0.7246000      0.8394000     ?             ?      
1 1 1 13 55 10 o 0.3132000      1.330000      ?             ?      
1 1 1 13 55 11 o 0.1150000      1.106000      ?             ?      
1 1 1 13 55 12 o 0.4653000      0.9395000     ?             ?      
1 1 1 13 55 13 o -0.7850000     0.9131000     ?             ?      
1 1 1 13 55 14 o -0.8937000     1.278000      ?             ?      
1 1 1 13 55 15 o 0.6427000      1.748000      ?             ?      
1 1 1 13 55 16 o 0.7906000      1.838000      ?             ?      
1 1 1 13 55 17 o 1.984000       1.141000      ?             ?      
1 1 1 13 55 18 o 3.032000       1.116000      ?             ?      
1 1 1 13 55 19 o -4.758000      3.402000      ?             ?      
1 1 1 13 55 20 o -1.686000      2.172000      ?             ?      
1 1 1 13 55 21 o 0.5826000      1.993000      ?             ?      
1 1 1 13 55 22 o -1.560000      2.434000      ?             ?      
1 1 1 13 55 23 o 2.017000       1.497000      ?             ?      
1 1 1 13 55 24 o -1.942000      1.455000      ?             ?      
1 1 1 13 55 25 o 1.636000       1.486000      ?             ?      
1 1 1 13 55 26 o -1.807000      1.474000      ?             ?      
1 1 1 13 55 27 o 1.235000       1.499000      ?             ?      
1 1 1 13 55 28 o 3.364000       1.506000      ?             ?      
1 1 1 13 55 29 o 1.161000       1.506000      ?             ?      
1 1 1 13 55 30 o 0.8706000      1.522000      ?             ?      
1 1 1 13 55 31 o 2.583000       1.554000      ?             ?      
1 1 1 13 55 32 o -0.2600000     1.586000      ?             ?      
1 1 1 13 55 33 o -0.9543000     1.602000      ?             ?      
1 1 1 13 55 34 o 0.4645000      2.077000      ?             ?      
1 1 1 13 55 35 o 0.5536000      1.248000      ?             ?      
1 1 1 13 55 36 < 0.000000       -1.000000     ?             ?      
1 1 1 13 55 37 o 0.3484000      1.168000      ?             ?      
1 1 1 13 55 38 o -0.5331000E-01 1.493000      ?             ?      
1 1 1 13 55 39 o 2.611000       1.489000      ?             ?      
1 1 1 13 55 40 o 3.756000       1.486000      ?             ?      
1 1 1 13 56 0  o 2.491000       1.382000      ?             ?      
1 1 1 13 56 1  o 3.801000       1.114000      ?             ?      
1 1 1 13 56 2  o -0.2447000     0.9088000     ?             ?      
1 1 1 13 56 3  o -0.1907000     0.8332000     ?             ?      
1 1 1 13 56 4  o -1.490000      0.8188000     ?             ?      
1 1 1 13 56 5  o 1.774000       0.8923000     ?             ?      
1 1 1 13 56 6  o 0.2935000      0.8732000     ?             ?      
1 1 1 13 56 7  o 0.8679000      0.7708000     ?             ?      
1 1 1 13 56 8  o 0.2289000      0.8338000     ?             ?      
1 1 1 13 56 9  o 0.1656000      0.8248000     ?             ?      
1 1 1 13 56 10 o 0.5233000      1.282000      ?             ?      
1 1 1 13 56 11 o 0.8822000      1.053000      ?             ?      
1 1 1 13 56 12 o 0.8605000      0.9262000     ?             ?      
1 1 1 13 56 13 o 1.507000       0.9136000     ?             ?      
1 1 1 13 56 14 o 2.081000       1.281000      ?             ?      
1 1 1 13 56 15 o 1.027000       1.288000      ?             ?      
1 1 1 13 56 16 o 3.009000       1.403000      ?             ?      
1 1 1 13 56 17 o 0.1043000      1.392000      ?             ?      
1 1 1 13 56 18 o 2.904000       1.911000      ?             ?      
1 1 1 13 56 19 o 3.135000       2.493000      ?             ?      
1 1 1 13 56 20 o 0.4375000      2.393000      ?             ?      
1 1 1 13 56 21 o 5.931000       2.979000      ?             ?      
1 1 1 13 56 22 o -0.9337000     2.013000      ?             ?      
1 1 1 13 56 23 o 1.554000       2.049000      ?             ?      
1 1 1 13 56 24 o -0.8129000     1.474000      ?             ?      
1 1 1 13 56 25 o -0.6385000     1.492000      ?             ?      
1 1 1 13 56 26 o 2.519000       1.553000      ?             ?      
1 1 1 13 56 27 o 1.990000       1.516000      ?             ?      
1 1 1 13 56 28 o 2.014000       1.516000      ?             ?      
1 1 1 13 56 29 o 2.447000       1.538000      ?             ?      
1 1 1 13 56 30 o 0.9127000      1.526000      ?             ?      
1 1 1 13 56 31 o 2.959000       1.569000      ?             ?      
1 1 1 13 56 32 o -1.173000      2.212000      ?             ?      
1 1 1 13 56 33 o 0.3551000      1.120000      ?             ?      
1 1 1 13 56 34 o -0.2189000     1.122000      ?             ?      
1 1 1 13 56 35 o -0.4223000     1.254000      ?             ?      
1 1 1 13 56 36 o -1.736000      1.541000      ?             ?      
1 1 1 13 56 37 o -0.5540000E-01 1.451000      ?             ?      
1 1 1 13 56 38 o -0.3916000     1.400000      ?             ?      
1 1 1 13 57 0  o -0.2236000E-01 1.676000      ?             ?      
1 1 1 13 57 1  o 2.393000       1.137000      ?             ?      
1 1 1 13 57 2  o 2.168000       0.8523000     ?             ?      
1 1 1 13 57 3  o 2.801000       0.8389000     ?             ?      
1 1 1 13 57 4  o 0.7770000      0.8781000     ?             ?      
1 1 1 13 57 5  o 0.3582000      0.8779000     ?             ?      
1 1 1 13 57 6  o 5.066000       0.9074000     ?             ?      
1 1 1 13 57 7  o -1.963000      0.7626000     ?             ?      
1 1 1 13 57 8  o 1.660000       0.8226000     ?             ?      
1 1 1 13 57 9  o 0.3756000      0.8603000     ?             ?      
1 1 1 13 57 10 o -1.844000      1.264000      ?             ?      
1 1 1 13 57 11 o 1.469000       0.9345000     ?             ?      
1 1 1 13 57 12 o 0.7594000E-01  0.9066000     ?             ?      
1 1 1 13 57 13 o 0.1604000      0.9072000     ?             ?      
1 1 1 13 57 14 f 1.014000       1.248000      ?             ?      
1 1 1 13 57 15 o 1.573000       1.341000      ?             ?      
1 1 1 13 57 16 o 0.7451000      1.371000      ?             ?      
1 1 1 13 57 17 o -1.186000      1.785000      ?             ?      
1 1 1 13 57 18 f 3.213000       1.914000      ?             ?      
1 1 1 13 57 19 o 0.5129000      2.166000      ?             ?      
1 1 1 13 57 20 o 4.522000       2.643000      ?             ?      
1 1 1 13 57 21 o -0.3942000     2.052000      ?             ?      
1 1 1 13 57 22 o 1.967000       2.055000      ?             ?      
1 1 1 13 57 23 o -0.4878000     1.905000      ?             ?      
1 1 1 13 57 24 o -2.443000      1.948000      ?             ?      
1 1 1 13 57 25 o 1.655000       1.170000      ?             ?      
1 1 1 13 57 26 o -0.5330000     2.050000      ?             ?      
1 1 1 13 57 27 o -0.5187000     2.103000      ?             ?      
1 1 1 13 57 28 o -1.682000      2.188000      ?             ?      
1 1 1 13 57 29 o -0.9253000     2.201000      ?             ?      
1 1 1 13 57 30 o 0.1611000      1.152000      ?             ?      
1 1 1 13 57 31 o -0.3719000     1.133000      ?             ?      
1 1 1 13 57 32 < 0.000000       -1.000000     ?             ?      
1 1 1 13 57 33 o -5.082000      2.511000      ?             ?      
1 1 1 13 57 34 o -0.5400000     4.028000      ?             ?      
1 1 1 13 57 35 o -0.3101000     1.504000      ?             ?      
1 1 1 13 57 36 o -0.4207000     1.376000      ?             ?      
1 1 1 13 58 0  o -1.981000      1.627000      ?             ?      
1 1 1 13 58 1  o -0.2621000E-01 1.179000      ?             ?      
1 1 1 13 58 2  o -1.153000      0.8140000     ?             ?      
1 1 1 13 58 3  o -0.2238000     0.8023000     ?             ?      
1 1 1 13 58 4  o 0.5915000      0.8562000     ?             ?      
1 1 1 13 58 5  o -0.2407000     0.8640000     ?             ?      
1 1 1 13 58 6  o -0.2504000     0.8493000     ?             ?      
1 1 1 13 58 7  o -0.4374000     0.7528000     ?             ?      
1 1 1 13 58 8  o -0.2375000     0.8158000     ?             ?      
1 1 1 13 58 9  o -0.4871000     0.8447000     ?             ?      
1 1 1 13 58 10 o 1.561000       1.278000      ?             ?      
1 1 1 13 58 11 o -0.4061000     0.9289000     ?             ?      
1 1 1 13 58 12 o 0.8398000      0.9104000     ?             ?      
1 1 1 13 58 13 o 2.344000       1.286000      ?             ?      
1 1 1 13 58 14 o 1.926000       1.269000      ?             ?      
1 1 1 13 58 15 o 0.2336000      2.471000      ?             ?      
1 1 1 13 58 16 o 1.300000       1.363000      ?             ?      
1 1 1 13 58 17 o 0.5551000      1.796000      ?             ?      
1 1 1 13 58 18 o -4.342000      2.056000      ?             ?      
1 1 1 13 58 19 o 1.488000       1.981000      ?             ?      
1 1 1 13 58 20 o 2.923000       2.450000      ?             ?      
1 1 1 13 58 21 o -1.720000      2.015000      ?             ?      
1 1 1 13 58 22 o -0.3737000     1.415000      ?             ?      
1 1 1 13 58 23 o -0.8237000     1.455000      ?             ?      
1 1 1 13 58 24 o 2.164000       1.489000      ?             ?      
1 1 1 13 58 25 o -0.8713000     1.473000      ?             ?      
1 1 1 13 58 26 o -2.684000      2.166000      ?             ?      
1 1 1 13 58 27 o 1.496000       1.115000      ?             ?      
1 1 1 13 58 28 o -1.768000      1.068000      ?             ?      
1 1 1 13 58 29 o 0.4743000      2.451000      ?             ?      
1 1 1 13 58 30 o 1.566000       2.491000      ?             ?      
1 1 1 13 58 31 < 0.000000       -1.000000     ?             ?      
1 1 1 13 58 32 o 0.4689000      2.577000      ?             ?      
1 1 1 13 58 33 o 4.787000       4.206000      ?             ?      
1 1 1 13 59 0  o -0.6550000     1.593000      ?             ?      
1 1 1 13 59 1  o 1.760000       1.102000      ?             ?      
1 1 1 13 59 2  o -0.7868000     0.8014000     ?             ?      
1 1 1 13 59 3  o -0.9862000E-01 0.7936000     ?             ?      
1 1 1 13 59 4  o 1.354000       0.8543000     ?             ?      
1 1 1 13 59 5  o 1.463000       0.8547000     ?             ?      
1 1 1 13 59 6  o 1.739000       0.7908000     ?             ?      
1 1 1 13 59 7  o 2.554000       0.8103000     ?             ?      
1 1 1 13 59 8  o 1.030000       0.8143000     ?             ?      
1 1 1 13 59 9  o -0.8167000     0.8624000     ?             ?      
1 1 1 13 59 10 o -0.7981000     1.035000      ?             ?      
1 1 1 13 59 11 o 0.8044000      0.9398000     ?             ?      
1 1 1 13 59 12 o 1.076000       0.9076000     ?             ?      
1 1 1 13 59 13 o -1.184000      1.256000      ?             ?      
1 1 1 13 59 14 o -0.1081000     1.327000      ?             ?      
1 1 1 13 59 15 o 1.969000       1.352000      ?             ?      
1 1 1 13 59 16 o 0.4727000      1.825000      ?             ?      
1 1 1 13 59 17 o 0.7202000      1.870000      ?             ?      
1 1 1 13 59 18 o -0.1889000     2.060000      ?             ?      
1 1 1 13 59 19 o 2.120000       1.974000      ?             ?      
1 1 1 13 59 20 o 3.931000       2.062000      ?             ?      
1 1 1 13 59 21 o 2.156000       1.988000      ?             ?      
1 1 1 13 59 22 o 2.201000       2.051000      ?             ?      
1 1 1 13 59 23 o 2.265000       2.066000      ?             ?      
1 1 1 13 59 24 o 1.042000       2.124000      ?             ?      
1 1 1 13 59 25 o -2.503000      2.133000      ?             ?      
1 1 1 13 59 26 o 0.3004000      1.079000      ?             ?      
1 1 1 13 59 27 o 0.3640000      1.084000      ?             ?      
1 1 1 13 59 28 o -0.3515000     3.663000      ?             ?      
1 1 1 13 59 29 o -1.094000      2.558000      ?             ?      
1 1 1 13 59 30 o 0.6337000E-01  2.522000      ?             ?      
1 1 1 13 59 31 o 1.180000       2.539000      ?             ?      
1 1 1 13 59 32 o 1.003000       2.558000      ?             ?      
1 1 1 13 60 0  o -1.384000      1.603000      ?             ?      
1 1 1 13 60 1  o 0.2059000      1.062000      ?             ?      
1 1 1 13 60 2  o 0.9282000      0.8133000     ?             ?      
1 1 1 13 60 3  o -1.290000      0.7945000     ?             ?      
1 1 1 13 60 4  o -0.6937000     0.8687000     ?             ?      
1 1 1 13 60 5  o -0.3096000     0.7925000     ?             ?      
1 1 1 13 60 6  o 0.4354000      0.7571000     ?             ?      
1 1 1 13 60 7  o 0.2757000      0.7793000     ?             ?      
1 1 1 13 60 8  o 0.1775000      0.8050000     ?             ?      
1 1 1 13 60 9  o -1.836000      0.8658000     ?             ?      
1 1 1 13 60 10 o 0.6571000      1.032000      ?             ?      
1 1 1 13 60 11 o 1.677000       0.9233000     ?             ?      
1 1 1 13 60 12 o -0.2523000     0.8885000     ?             ?      
1 1 1 13 60 13 o 0.5612000      1.240000      ?             ?      
1 1 1 13 60 14 o -1.050000      1.329000      ?             ?      
1 1 1 13 60 15 o 3.138000       1.387000      ?             ?      
1 1 1 13 60 16 o 2.568000       1.873000      ?             ?      
1 1 1 13 60 17 o 1.533000       2.047000      ?             ?      
1 1 1 13 60 18 o 3.893000       2.160000      ?             ?      
1 1 1 13 60 19 o 1.897000       2.386000      ?             ?      
1 1 1 13 60 20 o 0.5813000      2.009000      ?             ?      
1 1 1 13 60 21 o 2.847000       2.109000      ?             ?      
1 1 1 13 60 22 o -2.006000      2.083000      ?             ?      
1 1 1 13 60 23 o 2.352000       1.125000      ?             ?      
1 1 1 13 60 24 o 1.035000       1.091000      ?             ?      
1 1 1 13 60 25 o 0.5242000      1.057000      ?             ?      
1 1 1 13 60 26 o 0.9699000      2.386000      ?             ?      
1 1 1 13 60 27 o 1.118000       2.435000      ?             ?      
1 1 1 13 60 28 o -1.339000      2.479000      ?             ?      
1 1 1 13 60 29 o 1.353000       2.544000      ?             ?      
1 1 1 13 60 30 < 0.000000       -1.000000     ?             ?      
1 1 1 13 61 0  o -1.069000      2.250000      ?             ?      
1 1 1 13 61 1  o -0.1994000     1.225000      ?             ?      
1 1 1 13 61 2  o 1.494000       0.8866000     ?             ?      
1 1 1 13 61 3  o 2.424000       0.8971000     ?             ?      
1 1 1 13 61 4  o 0.1582000      0.8664000     ?             ?      
1 1 1 13 61 5  o 0.4898000      0.8025000     ?             ?      
1 1 1 13 61 6  o -0.7109000     0.7766000     ?             ?      
1 1 1 13 61 7  o -0.5962000E-01 0.8116000     ?             ?      
1 1 1 13 61 8  o 0.3463000      0.8336000     ?             ?      
1 1 1 13 61 9  o 0.3064000      1.847000      ?             ?      
1 1 1 13 61 10 o 0.6383000      1.162000      ?             ?      
1 1 1 13 61 11 o 0.3020000E-01  1.041000      ?             ?      
1 1 1 13 61 12 o 0.5304000      0.9994000     ?             ?      
1 1 1 13 61 13 o 3.037000       1.808000      ?             ?      
1 1 1 13 61 14 o -1.388000      1.850000      ?             ?      
1 1 1 13 61 15 o 0.8121000      1.084000      ?             ?      
1 1 1 13 61 16 o 0.6324000E-01  1.373000      ?             ?      
1 1 1 13 61 17 o -0.8060000     2.515000      ?             ?      
1 1 1 13 61 18 o 2.057000       2.435000      ?             ?      
1 1 1 13 61 19 o -0.9128000     2.475000      ?             ?      
1 1 1 13 61 20 < 0.000000       -1.000000     ?             ?      
1 1 1 13 61 21 o -0.6694000     1.117000      ?             ?      
1 1 1 13 61 22 o 0.7137000      1.084000      ?             ?      
1 1 1 13 61 23 o -0.2641000     1.081000      ?             ?      
1 1 1 13 61 24 o -0.8372000     1.021000      ?             ?      
1 1 1 13 61 25 o -1.970000      2.340000      ?             ?      
1 1 1 13 61 26 o 0.9023000      2.421000      ?             ?      
1 1 1 13 61 27 o -1.435000      2.444000      ?             ?      
1 1 1 13 62 0  o 3.214000       1.836000      ?             ?      
1 1 1 13 62 1  o 1.652000       0.9647000     ?             ?      
1 1 1 13 62 2  o 1.204000       0.8767000     ?             ?      
1 1 1 13 62 3  o -0.3210000     0.8612000     ?             ?      
1 1 1 13 62 4  o 1.656000       0.8774000     ?             ?      
1 1 1 13 62 5  o 0.7194000      0.9774000     ?             ?      
1 1 1 13 62 6  o 0.6612000      0.7817000     ?             ?      
1 1 1 13 62 7  o 0.3135000      0.8063000     ?             ?      
1 1 1 13 62 8  o -0.6002000     0.9108000     ?             ?      
1 1 1 13 62 9  o 1.880000       1.827000      ?             ?      
1 1 1 13 62 10 o 1.443000       1.973000      ?             ?      
1 1 1 13 62 11 o -1.732000      1.028000      ?             ?      
1 1 1 13 62 12 o -0.1446000     1.005000      ?             ?      
1 1 1 13 62 13 o -0.1066000     1.935000      ?             ?      
1 1 1 13 62 14 o -1.593000      1.928000      ?             ?      
1 1 1 13 62 15 o -1.341000      1.089000      ?             ?      
1 1 1 13 62 16 o 0.8673000      1.373000      ?             ?      
1 1 1 13 62 17 o -1.577000      2.217000      ?             ?      
1 1 1 13 62 18 o -3.374000      2.937000      ?             ?      
1 1 1 13 62 19 o 1.203000       1.551000      ?             ?      
1 1 1 13 62 20 o -0.5194000     1.068000      ?             ?      
1 1 1 13 62 21 o 0.5913000      1.091000      ?             ?      
1 1 1 13 62 22 o 0.1627000      1.050000      ?             ?      
1 1 1 13 62 23 o -0.7949000E-01 1.029000      ?             ?      
1 1 1 13 62 24 < 0.000000       -1.000000     ?             ?      
1 1 1 13 63 0  o 0.4209000      1.802000      ?             ?      
1 1 1 13 63 1  o -0.3279000     0.9462000     ?             ?      
1 1 1 13 63 2  o -0.2927000     0.8683000     ?             ?      
1 1 1 13 63 3  o -0.2678000     0.8581000     ?             ?      
1 1 1 13 63 4  o -0.7232000     0.8733000     ?             ?      
1 1 1 13 63 5  o -0.5030000     0.9545000     ?             ?      
1 1 1 13 63 6  o 0.1101000      0.7768000     ?             ?      
1 1 1 13 63 7  o -0.3929000     0.7646000     ?             ?      
1 1 1 13 63 8  o 0.2476000      0.9096000     ?             ?      
1 1 1 13 63 9  o -0.1718000     1.904000      ?             ?      
1 1 1 13 63 10 o -0.2939000     1.176000      ?             ?      
1 1 1 13 63 11 o -1.077000      1.036000      ?             ?      
1 1 1 13 63 12 o 1.500000       1.043000      ?             ?      
1 1 1 13 63 13 o 2.736000       1.139000      ?             ?      
1 1 1 13 63 14 o -0.2201000     1.068000      ?             ?      
1 1 1 13 63 15 o 0.4303000      1.177000      ?             ?      
1 1 1 13 63 16 < 0.000000       -1.000000     ?             ?      
1 1 1 13 63 17 o -0.5095000     2.919000      ?             ?      
1 1 1 13 63 18 o -7.245000      2.922000      ?             ?      
1 1 1 13 63 19 < 0.000000       -1.000000     ?             ?      
1 1 1 13 63 20 o 0.4187000      1.089000      ?             ?      
1 1 1 13 64 0  o 0.1482000      1.385000      ?             ?      
1 1 1 13 64 1  o 0.7164000      0.9179000     ?             ?      
1 1 1 13 64 2  o 0.1288000      0.8812000     ?             ?      
1 1 1 13 64 3  o -0.1712000     0.8644000     ?             ?      
1 1 1 13 64 4  o 0.8814000      0.8793000     ?             ?      
1 1 1 13 64 5  f 1.247000       0.9016000     ?             ?      
1 1 1 13 64 6  o 0.1529000E-01  0.7710000     ?             ?      
1 1 1 13 64 7  o 0.9487000      0.7637000     ?             ?      
1 1 1 13 64 8  o 0.9298000      0.9016000     ?             ?      
1 1 1 13 64 9  o 1.198000       1.081000      ?             ?      
1 1 1 13 64 10 o -0.8950000     1.239000      ?             ?      
1 1 1 13 64 11 o -1.989000      1.191000      ?             ?      
1 1 1 13 64 12 o -0.3088000     0.6916000     ?             ?      
1 1 1 13 64 13 o -0.2147000     1.127000      ?             ?      
1 1 1 13 64 14 < 0.000000       -1.000000     ?             ?      
1 1 1 13 64 15 o -1.012000      1.184000      ?             ?      
1 1 1 13 64 16 o 0.2546000      1.555000      ?             ?      
1 1 1 13 65 0  o -1.230000      1.651000      ?             ?      
1 1 1 13 65 1  o 0.5394000      1.030000      ?             ?      
1 1 1 13 65 2  o -1.844000      1.025000      ?             ?      
1 1 1 13 65 3  o -1.307000      0.9846000     ?             ?      
1 1 1 13 65 4  o 1.269000       0.8761000     ?             ?      
1 1 1 13 65 5  o -0.1673000     1.422000      ?             ?      
1 1 1 13 65 6  o -0.2660000     0.8170000     ?             ?      
1 1 1 13 65 7  o -0.7621000     0.8034000     ?             ?      
1 1 1 13 65 8  o -0.1011000     1.048000      ?             ?      
1 1 1 13 65 9  o -2.131000      3.113000      ?             ?      
1 1 1 14 0  0  o 604.5000       19.43000      2997.830      -0.0   
1 1 1 14 0  1  o 31.58000       0.9268000     666.4783      90.0   
1 1 1 14 0  2  o 28.64000       1.349000      867.8850      0.0    
1 1 1 14 0  3  o 105.7000       2.517000      1564.138      90.0   
1 1 1 14 0  4  o 17.28000       0.6558000     208.4739      -180.0 
1 1 1 14 0  5  o 158.1000       3.704000      1540.916      -90.0  
1 1 1 14 0  6  o 120.8000       3.130000      1419.431      -0.0   
1 1 1 14 0  7  o 4.837000       0.6386000     246.6995      90.0   
1 1 1 14 0  8  o 139.7000       3.599000      1487.523      180.0  
1 1 1 14 0  9  o 4.535000       0.5235000     25.97704      -90.0  
1 1 1 14 0  10 o 18.04000       0.7928000     1340.710      180.0  
1 1 1 14 0  11 o 4.264000       0.5869000     78.08228      90.0   
1 1 1 14 0  12 o 123.0000       3.552000      1752.796      0.0    
1 1 1 14 0  13 o 96.19000       2.840000      1890.854      90.0   
1 1 1 14 0  14 o 150.8000       4.331000      1831.049      180.0  
1 1 1 14 0  15 o 435.2000       12.17000      3063.788      -90.0  
1 1 1 14 0  16 o 1.520000       0.7481000     25.85581      180.0  
1 1 1 14 0  17 o 20.86000       1.055000      392.9918      90.0   
1 1 1 14 0  18 o 1.768000       0.8476000     265.5293      0.0    
1 1 1 14 0  19 o 284.3000       8.067000      2139.649      -90.0  
1 1 1 14 0  20 o 174.2000       5.074000      2465.314      0.0    
1 1 1 14 0  21 o 18.04000       1.419000      764.7310      -90.0  
1 1 1 14 0  22 o 29.37000       1.504000      818.1850      0.0    
1 1 1 14 0  23 o 7.182000       1.255000      1247.077      90.0   
1 1 1 14 0  24 f 34.66000       1.722000      1329.333      180.0  
1 1 1 14 0  25 o 9.695000       1.459000      575.4587      90.0   
1 1 1 14 0  26 o 170.8000       5.151000      1818.448      -0.0   
1 1 1 14 0  27 o 103.3000       3.988000      1376.831      90.0   
1 1 1 14 0  28 o -2.040000      3.004000      108.3046      -0.0   
1 1 1 14 0  29 o 5.022000       3.845000      252.6216      90.0   
1 1 1 14 0  30 o 296.1000       9.953000      2349.984      0.0    
1 1 1 14 0  31 o 28.30000       2.081000      1116.392      90.0   
1 1 1 14 0  32 o 4.136000       1.829000      695.8813      -180.0 
1 1 1 14 0  33 o 114.4000       3.839000      1251.532      -90.0  
1 1 1 14 0  34 o 20.39000       1.766000      296.1880      180.0  
1 1 1 14 0  35 o 55.18000       2.391000      1070.007      90.0   
1 1 1 14 0  36 o 14.45000       1.655000      840.2693      0.0    
1 1 1 14 0  37 o 9.448000       1.563000      288.3014      90.0   
1 1 1 14 0  38 o 12.07000       1.561000      834.0938      -0.0   
1 1 1 14 0  39 o 12.92000       1.572000      548.6823      90.0   
1 1 1 14 0  40 o 39.80000       2.010000      644.6522      -0.0   
1 1 1 14 0  41 o 8.314000       1.535000      662.9671      90.0   
1 1 1 14 0  42 o 5.209000       1.752000      410.5942      180.0  
1 1 1 14 0  43 o 6.726000       1.799000      347.1305      90.0   
1 1 1 14 0  44 f 9.009000       1.641000      512.7363      -180.0 
1 1 1 14 0  45 o 3.169000       1.863000      72.32644      90.0   
1 1 1 14 0  46 o 26.93000       2.271000      527.3422      0.0    
1 1 1 14 0  47 o 44.78000       4.681000      863.1315      90.0   
1 1 1 14 0  48 o -1.697000      3.603000      62.46468      0.0    
1 1 1 14 0  49 o 4.207000       2.017000      157.9080      90.0   
1 1 1 14 0  50 o 65.74000       3.213000      1145.725      -180.0 
1 1 1 14 0  51 o 5.325000       1.815000      412.7097      -90.0  
1 1 1 14 0  52 o 1.478000       1.823000      129.7874      180.0  
1 1 1 14 0  53 o 16.90000       1.987000      565.0897      -90.0  
1 1 1 14 0  54 o 53.34000       2.664000      1027.841      0.0    
1 1 1 14 0  55 o 46.67000       2.592000      965.1536      90.0   
1 1 1 14 0  56 o 68.67000       3.072000      1305.912      180.0  
1 1 1 14 0  57 o 12.09000       2.062000      750.6069      90.0   
1 1 1 14 0  58 o 3.643000       1.976000      42.14350      180.0  
1 1 1 14 0  59 o 1.257000       1.944000      83.04482      -90.0  
1 1 1 14 0  60 o 1.123000       1.969000      ?             ?      
1 1 1 14 0  61 o 3.097000       1.958000      ?             ?      
1 1 1 14 0  62 o 21.83000       2.504000      ?             ?      
1 1 1 14 0  63 o 4.898000       4.106000      ?             ?      
1 1 1 14 0  64 o 32.07000       3.378000      ?             ?      
1 1 1 14 0  65 o -0.2494000     1.872000      ?             ?      
1 1 1 14 0  66 o 3.593000       1.872000      ?             ?      
1 1 1 14 0  67 o 1.361000       1.859000      ?             ?      
1 1 1 14 0  68 o 4.164000       1.903000      ?             ?      
1 1 1 14 0  69 o 13.22000       2.025000      ?             ?      
1 1 1 14 0  70 o 2.074000       1.876000      ?             ?      
1 1 1 14 0  71 o 3.260000       1.906000      ?             ?      
1 1 1 14 0  72 o 0.3494000      1.910000      ?             ?      
1 1 1 14 0  73 o 2.554000       1.938000      ?             ?      
1 1 1 14 0  74 o 4.398000       1.998000      ?             ?      
1 1 1 14 1  0  o 5.835000       0.4950000     95.57256      -0.0   
1 1 1 14 1  1  o 220.0000       3.776000      1981.617      135.9  
1 1 1 14 1  2  o 52.46000       1.053000      1035.600      -89.2  
1 1 1 14 1  3  o 10.35000       0.4002000     400.6617      117.4  
1 1 1 14 1  4  o 125.2000       2.098000      2110.934      130.2  
1 1 1 14 1  5  o 49.84000       1.037000      671.7166      70.3   
1 1 1 14 1  6  o 117.2000       2.062000      1792.591      32.8   
1 1 1 14 1  7  o 136.2000       2.476000      1332.634      71.3   
1 1 1 14 1  8  o 1.702000       0.3363000     125.5212      141.0  
1 1 1 14 1  9  o 106.7000       2.077000      1537.097      -150.0 
1 1 1 14 1  10 o 45.81000       1.007000      900.5694      -25.0  
1 1 1 14 1  11 o 20.59000       0.6142000     845.6454      -146.8 
1 1 1 14 1  12 o 138.0000       2.797000      1990.023      -60.3  
1 1 1 14 1  13 o 103.6000       2.151000      1819.922      26.4   
1 1 1 14 1  14 o 438.9000       8.671000      3064.338      -99.8  
1 1 1 14 1  15 o 7.012000       0.5472000     282.1626      -176.9 
1 1 1 14 1  16 o 46.88000       1.144000      1263.097      -76.0  
1 1 1 14 1  17 o 27.77000       0.8494000     955.6880      171.3  
1 1 1 14 1  18 o 93.44000       2.027000      1142.569      -64.6  
1 1 1 14 1  19 o 101.2000       2.194000      1713.687      169.9  
1 1 1 14 1  20 o 58.98000       1.455000      1226.593      -92.3  
1 1 1 14 1  21 o 50.34000       1.331000      918.2739      158.6  
1 1 1 14 1  22 o 216.9000       4.435000      1837.904      8.6    
1 1 1 14 1  23 o 215.4000       4.424000      1879.510      151.8  
1 1 1 14 1  24 o 83.47000       2.181000      1403.899      156.6  
1 1 1 14 1  25 o 271.6000       5.539000      2356.791      22.0   
1 1 1 14 1  26 o 183.8000       3.902000      1808.702      166.2  
1 1 1 14 1  27 o 81.15000       2.272000      1317.928      -86.8  
1 1 1 14 1  28 o 66.23000       3.193000      1055.822      101.8  
1 1 1 14 1  29 o 7.062000       2.527000      497.9890      68.3   
1 1 1 14 1  30 o 43.52000       2.753000      1054.671      -29.3  
1 1 1 14 1  31 o 140.6000       3.484000      2037.923      163.5  
1 1 1 14 1  32 o 179.7000       3.907000      1524.148      47.5   
1 1 1 14 1  33 o 15.28000       1.264000      581.0379      -121.1 
1 1 1 14 1  34 o 27.00000       1.334000      725.4499      -135.1 
1 1 1 14 1  35 o 52.14000       1.644000      894.4920      106.7  
1 1 1 14 1  36 o 114.6000       2.670000      1462.516      103.4  
1 1 1 14 1  37 o 60.87000       1.751000      1119.462      -48.6  
1 1 1 14 1  38 o 27.10000       1.276000      831.4647      143.5  
1 1 1 14 1  39 o 12.24000       1.125000      383.7845      153.6  
1 1 1 14 1  40 o 4.237000       1.145000      368.8230      -162.2 
1 1 1 14 1  41 o 10.74000       1.116000      391.4892      114.7  
1 1 1 14 1  42 o 14.13000       1.241000      497.2869      -137.5 
1 1 1 14 1  43 o 16.59000       1.280000      803.8583      171.1  
1 1 1 14 1  44 o 37.15000       1.480000      929.8513      -138.0 
1 1 1 14 1  45 o 4.325000       1.376000      307.3179      -28.9  
1 1 1 14 1  46 o 45.60000       2.073000      981.0051      85.9   
1 1 1 14 1  47 o 4.400000       1.873000      189.8181      -155.8 
1 1 1 14 1  48 o 16.34000       2.398000      644.9002      104.2  
1 1 1 14 1  49 o 84.05000       2.499000      1387.889      6.7    
1 1 1 14 1  50 o 10.98000       1.405000      372.7836      108.7  
1 1 1 14 1  51 o 18.57000       1.387000      646.3899      -63.5  
1 1 1 14 1  52 o 29.95000       1.711000      584.4445      92.7   
1 1 1 14 1  53 o 1.379000       1.372000      278.9995      -34.8  
1 1 1 14 1  54 o 13.72000       1.410000      460.4187      -13.5  
1 1 1 14 1  55 o 18.58000       1.490000      565.4263      132.5  
1 1 1 14 1  56 o 20.67000       1.540000      676.0112      -102.3 
1 1 1 14 1  57 o 12.34000       1.613000      502.7157      -171.6 
1 1 1 14 1  58 o 9.285000       1.455000      405.5285      -14.0  
1 1 1 14 1  59 o 5.130000       1.416000      451.8427      33.9   
1 1 1 14 1  60 o 8.705000       1.447000      ?             ?      
1 1 1 14 1  61 o 6.518000       1.407000      ?             ?      
1 1 1 14 1  62 o 3.447000       1.782000      ?             ?      
1 1 1 14 1  63 o 17.21000       2.555000      ?             ?      
1 1 1 14 1  64 o 6.755000       2.296000      ?             ?      
1 1 1 14 1  65 o 6.487000       1.469000      ?             ?      
1 1 1 14 1  66 o 1.614000       1.316000      ?             ?      
1 1 1 14 1  67 o 10.76000       1.405000      ?             ?      
1 1 1 14 1  68 o 4.179000       1.342000      ?             ?      
1 1 1 14 1  69 o 2.509000       1.331000      ?             ?      
1 1 1 14 1  70 o 3.425000       1.345000      ?             ?      
1 1 1 14 1  71 o 1.756000       1.349000      ?             ?      
1 1 1 14 1  72 o -1.110000      1.349000      ?             ?      
1 1 1 14 1  73 o -1.998000      1.345000      ?             ?      
1 1 1 14 1  74 o -0.1174000     1.370000      ?             ?      
1 1 1 14 2  0  o 4.185000       0.4705000     582.1632      -0.0   
1 1 1 14 2  1  o 87.47000       1.983000      1274.782      -109.3 
1 1 1 14 2  2  o 44.58000       0.9189000     1190.998      -142.1 
1 1 1 14 2  3  o 50.58000       1.240000      1029.649      102.0  
1 1 1 14 2  4  o 122.2000       2.054000      1364.193      127.6  
1 1 1 14 2  5  o 34.99000       0.8402000     1143.472      -158.3 
1 1 1 14 2  6  o 46.59000       0.9708000     1056.404      113.2  
1 1 1 14 2  7  o 73.57000       1.684000      1437.553      -177.8 
1 1 1 14 2  8  o 7.087000       0.3829000     354.4614      -114.8 
1 1 1 14 2  9  o 246.6000       4.647000      2336.709      -27.6  
1 1 1 14 2  10 o 20.13000       0.5809000     663.8737      20.8   
1 1 1 14 2  11 o 28.22000       0.7984000     943.2780      100.4  
1 1 1 14 2  12 o 9.841000       0.4897000     452.9057      -67.2  
1 1 1 14 2  13 o 24.99000       0.8014000     634.0919      -20.5  
1 1 1 14 2  14 o 7.679000       0.5165000     533.2563      -124.6 
1 1 1 14 2  15 o 219.0000       4.392000      2096.123      -64.4  
1 1 1 14 2  16 o 281.1000       5.607000      2291.322      110.5  
1 1 1 14 2  17 o 110.0000       2.321000      1533.831      25.3   
1 1 1 14 2  18 o 298.5000       5.973000      2670.654      -146.5 
1 1 1 14 2  19 o 50.20000       1.275000      917.7314      -112.8 
1 1 1 14 2  20 o 186.3000       3.821000      2168.700      40.5   
1 1 1 14 2  21 o 179.6000       3.711000      1841.622      -140.2 
1 1 1 14 2  22 o 21.21000       0.9555000     724.7386      -96.3  
1 1 1 14 2  23 o 77.44000       2.028000      1535.365      172.2  
1 1 1 14 2  24 o 61.64000       1.649000      995.9666      -45.3  
1 1 1 14 2  25 o 169.2000       3.604000      1458.216      -104.1 
1 1 1 14 2  26 o 0.5942000      1.115000      319.1706      38.0   
1 1 1 14 2  27 o 102.7000       3.110000      1535.735      99.0   
1 1 1 14 2  28 o 280.7000       9.276000      2311.801      10.3   
1 1 1 14 2  29 o 96.44000       3.985000      1105.901      -17.8  
1 1 1 14 2  30 o 204.3000       5.646000      2095.264      -79.6  
1 1 1 14 2  31 o 561.7000       12.12000      3246.911      124.5  
1 1 1 14 2  32 o 65.26000       1.949000      1580.326      -76.6  
1 1 1 14 2  33 o 82.61000       2.157000      1033.046      -42.1  
1 1 1 14 2  34 o 84.45000       2.161000      934.2265      -111.5 
1 1 1 14 2  35 o 15.71000       1.204000      201.9650      -7.1   
1 1 1 14 2  36 o 16.57000       1.190000      477.9292      -174.1 
1 1 1 14 2  37 o 11.60000       1.238000      565.8803      -173.4 
1 1 1 14 2  38 o 84.27000       2.304000      1382.368      30.9   
1 1 1 14 2  39 o 28.89000       1.301000      973.4410      -122.5 
1 1 1 14 2  40 o 36.70000       1.514000      742.8597      -70.2  
1 1 1 14 2  41 o 6.715000       1.370000      416.0192      -175.4 
1 1 1 14 2  42 o 56.35000       1.838000      1011.573      -134.1 
1 1 1 14 2  43 o 35.03000       1.513000      753.2689      -8.9   
1 1 1 14 2  44 o 33.38000       1.398000      695.5501      -134.5 
1 1 1 14 2  45 o 1.001000       1.220000      55.98276      -17.3  
1 1 1 14 2  46 o 20.24000       1.975000      692.4718      113.2  
1 1 1 14 2  47 o 50.66000       2.710000      1096.071      -176.5 
1 1 1 14 2  48 o 38.37000       2.627000      757.4788      8.7    
1 1 1 14 2  49 o 108.7000       3.578000      ?             ?      
1 1 1 14 2  50 o 47.10000       2.103000      720.1820      54.8   
1 1 1 14 2  51 o 4.871000       1.276000      290.3720      -12.2  
1 1 1 14 2  52 o 3.011000       1.390000      240.3705      166.6  
1 1 1 14 2  53 o 9.864000       1.471000      395.0865      -129.6 
1 1 1 14 2  54 o 1.776000       1.386000      250.6880      44.8   
1 1 1 14 2  55 o 6.010000       1.474000      465.5254      82.6   
1 1 1 14 2  56 o 17.26000       1.517000      644.5637      -168.6 
1 1 1 14 2  57 o 45.81000       1.858000      969.4125      15.9   
1 1 1 14 2  58 o 7.764000       1.442000      459.8945      -158.6 
1 1 1 14 2  59 o 11.46000       1.458000      528.4988      86.0   
1 1 1 14 2  60 o 20.05000       1.547000      ?             ?      
1 1 1 14 2  61 o 3.748000       1.585000      ?             ?      
1 1 1 14 2  62 o 1.886000       1.773000      ?             ?      
1 1 1 14 2  63 o 13.31000       1.924000      ?             ?      
1 1 1 14 2  64 o -0.7455000     1.705000      ?             ?      
1 1 1 14 2  65 o 8.765000       1.516000      ?             ?      
1 1 1 14 2  66 o 6.180000       1.364000      ?             ?      
1 1 1 14 2  67 o 5.693000       1.361000      ?             ?      
1 1 1 14 2  68 o 3.108000       1.353000      ?             ?      
1 1 1 14 2  70 o 2.659000       1.352000      ?             ?      
1 1 1 14 2  71 o 0.2439000      1.349000      ?             ?      
1 1 1 14 2  73 o -0.6671000     1.365000      ?             ?      
1 1 1 14 2  74 o 1.646000       1.395000      ?             ?      
1 1 1 14 3  0  o 31.64000       1.050000      547.6943      -0.0   
1 1 1 14 3  1  o 2.300000       0.3309000     213.7396      -126.5 
1 1 1 14 3  2  o 120.2000       2.062000      1806.678      -31.4  
1 1 1 14 3  3  o 47.15000       0.9157000     1099.651      -140.9 
1 1 1 14 3  4  o 144.2000       2.402000      1444.072      171.1  
1 1 1 14 3  5  o 51.64000       1.032000      1470.457      51.6   
1 1 1 14 3  6  o 110.5000       1.963000      1547.296      -59.8  
1 1 1 14 3  7  o 219.5000       3.779000      1864.714      50.9   
1 1 1 14 3  8  o 89.72000       1.777000      1373.571      23.5   
1 1 1 14 3  9  o 26.74000       0.7256000     451.6752      150.3  
1 1 1 14 3  10 o 11.34000       0.4658000     363.5055      87.2   
1 1 1 14 3  11 o 148.3000       2.860000      1958.001      93.9   
1 1 1 14 3  12 o 48.30000       1.108000      1455.878      -35.7  
1 1 1 14 3  13 o 20.17000       0.6468000     605.6699      -114.1 
1 1 1 14 3  14 o 9.141000       0.5349000     578.0612      -72.3  
1 1 1 14 3  15 o 221.3000       4.443000      1795.869      137.9  
1 1 1 14 3  16 o 67.61000       1.524000      943.7701      81.1   
1 1 1 14 3  17 o 74.12000       1.659000      1600.245      -118.9 
1 1 1 14 3  18 o 34.10000       0.9905000     1222.952      39.7   
1 1 1 14 3  19 o 8.594000       0.6864000     242.4383      -53.1  
1 1 1 14 3  20 o 101.6000       2.225000      1682.181      -68.2  
1 1 1 14 3  21 o 196.4000       4.032000      2081.035      18.3   
1 1 1 14 3  22 o 14.01000       0.8857000     598.2427      75.6   
1 1 1 14 3  23 o 5.648000       0.8714000     250.6288      -170.9 
1 1 1 14 3  24 o 251.2000       5.138000      2234.705      -54.3  
1 1 1 14 3  25 o 221.7000       4.596000      1826.409      -17.0  
1 1 1 14 3  26 o 186.4000       4.544000      1740.152      -98.2  
1 1 1 14 3  27 o 405.3000       10.51000      2689.034      137.0  
1 1 1 14 3  28 o 51.85000       2.368000      931.1964      74.6   
1 1 1 14 3  29 o 253.6000       6.114000      2471.256      16.7   
1 1 1 14 3  30 o 84.21000       2.780000      1453.276      -107.9 
1 1 1 14 3  31 o 43.33000       1.972000      930.9078      -11.1  
1 1 1 14 3  32 o 15.62000       1.418000      617.7009      41.5   
1 1 1 14 3  33 o 64.55000       1.859000      1124.866      122.8  
1 1 1 14 3  34 o 103.8000       2.494000      1342.863      166.7  
1 1 1 14 3  35 o 21.21000       1.347000      546.9181      17.2   
1 1 1 14 3  36 o 41.73000       1.605000      929.0952      -149.7 
1 1 1 14 3  37 o 21.95000       1.244000      608.7585      -18.3  
1 1 1 14 3  38 o 26.95000       1.401000      820.7797      24.7   
1 1 1 14 3  39 o 9.484000       1.117000      399.9494      -120.7 
1 1 1 14 3  40 o 1.446000       1.141000      259.9430      79.7   
1 1 1 14 3  41 o 23.42000       1.331000      892.1130      35.8   
1 1 1 14 3  42 o 12.56000       1.147000      359.8903      -70.7  
1 1 1 14 3  43 o 12.39000       1.229000      622.9489      -26.2  
1 1 1 14 3  44 o 1.457000       1.089000      117.5500      -125.0 
1 1 1 14 3  45 o 16.18000       1.285000      608.8265      -14.6  
1 1 1 14 3  46 o 17.61000       1.580000      639.7812      128.3  
1 1 1 14 3  47 o 17.12000       1.606000      586.4825      -87.6  
1 1 1 14 3  48 o 5.174000       1.412000      345.2505      11.1   
1 1 1 14 3  49 o 29.10000       2.500000      776.9295      9.7    
1 1 1 14 3  50 o 6.790000       1.442000      396.0743      6.6    
1 1 1 14 3  51 o 10.50000       1.319000      495.6755      172.4  
1 1 1 14 3  52 o 24.30000       1.582000      702.0178      -5.2   
1 1 1 14 3  53 o 30.84000       1.672000      858.9528      -24.8  
1 1 1 14 3  54 o 13.36000       1.512000      412.2032      30.3   
1 1 1 14 3  55 o 5.233000       1.484000      312.0330      165.5  
1 1 1 14 3  56 o 0.5636000      1.404000      112.5451      170.4  
1 1 1 14 3  57 o 4.692000       1.503000      281.7427      -90.3  
1 1 1 14 3  58 o 2.572000       1.421000      291.8784      39.1   
1 1 1 14 3  59 o 2.309000       1.407000      128.5735      30.4   
1 1 1 14 3  60 o 8.302000       1.450000      ?             ?      
1 1 1 14 3  61 o 20.54000       1.660000      ?             ?      
1 1 1 14 3  62 o 7.402000       1.750000      ?             ?      
1 1 1 14 3  63 o 4.085000       1.587000      ?             ?      
1 1 1 14 3  64 o 4.547000       1.812000      ?             ?      
1 1 1 14 3  65 o 4.570000       1.740000      ?             ?      
1 1 1 14 3  66 o 15.88000       1.578000      ?             ?      
1 1 1 14 3  67 o 2.621000       1.332000      ?             ?      
1 1 1 14 3  68 o 6.365000       1.365000      ?             ?      
1 1 1 14 3  69 o 8.543000       1.397000      ?             ?      
1 1 1 14 3  71 o 4.450000       1.366000      ?             ?      
1 1 1 14 3  72 o -0.4210000     1.361000      ?             ?      
1 1 1 14 3  73 o 1.576000       1.392000      ?             ?      
1 1 1 14 3  74 o 2.166000       1.408000      ?             ?      
1 1 1 14 4  0  o 26.22000       1.097000      622.0506      -180.0 
1 1 1 14 4  1  o 35.47000       0.7386000     938.6495      150.7  
1 1 1 14 4  2  o 27.98000       0.6359000     586.6428      150.4  
1 1 1 14 4  3  o 11.75000       0.4246000     506.2735      154.9  
1 1 1 14 4  4  o 0.8982000      0.3209000     303.7136      92.3   
1 1 1 14 4  5  o 22.31000       0.5943000     550.9444      19.0   
1 1 1 14 4  6  o 49.28000       1.134000      1321.525      149.2  
1 1 1 14 4  7  o 13.46000       0.4565000     594.7590      -25.7  
1 1 1 14 4  8  o 40.23000       0.8954000     618.7932      -79.7  
1 1 1 14 4  9  o 72.35000       1.664000      1449.583      -109.0 
1 1 1 14 4  10 o 89.38000       1.780000      1564.927      152.0  
1 1 1 14 4  11 o 112.4000       2.206000      1690.933      177.8  
1 1 1 14 4  12 o 170.9000       3.447000      1908.028      -21.3  
1 1 1 14 4  13 o 29.45000       0.8067000     1050.471      -40.1  
1 1 1 14 4  14 o 113.0000       2.345000      1631.209      172.1  
1 1 1 14 4  15 o 133.4000       2.752000      1788.892      -172.5 
1 1 1 14 4  16 o 2.903000       0.5390000     77.65611      90.3   
1 1 1 14 4  17 o 3.299000       0.5809000     280.4848      83.9   
1 1 1 14 4  18 o 15.32000       0.7242000     573.8846      92.4   
1 1 1 14 4  19 o 39.89000       1.120000      954.6028      174.2  
1 1 1 14 4  20 o 320.8000       6.424000      2371.131      84.0   
1 1 1 14 4  21 o 4.520000       0.7729000     464.5187      146.9  
1 1 1 14 4  22 o 52.17000       1.425000      1049.827      59.2   
1 1 1 14 4  23 o 209.0000       4.315000      2050.319      -164.4 
1 1 1 14 4  24 o 135.7000       2.977000      2117.941      47.8   
1 1 1 14 4  25 o 15.71000       1.167000      894.5882      -57.9  
1 1 1 14 4  26 o 0.2690000      1.187000      108.5512      27.9   
1 1 1 14 4  27 o 59.70000       2.220000      1118.672      63.2   
1 1 1 14 4  28 o 324.2000       7.626000      2267.651      -33.5  
1 1 1 14 4  29 o 26.57000       1.509000      781.2497      -124.5 
1 1 1 14 4  30 o 74.45000       2.699000      1606.738      158.9  
1 1 1 14 4  31 o 22.89000       1.818000      984.0767      107.3  
1 1 1 14 4  32 o 234.4000       5.347000      1906.497      -136.1 
1 1 1 14 4  33 o 83.83000       2.312000      1261.588      -99.7  
1 1 1 14 4  34 o 17.03000       1.207000      798.7325      -101.2 
1 1 1 14 4  35 o 56.89000       1.857000      923.9285      -19.3  
1 1 1 14 4  36 o 47.35000       1.702000      1010.525      33.2   
1 1 1 14 4  37 o 58.03000       1.742000      1215.674      -70.0  
1 1 1 14 4  38 o 8.124000       1.200000      406.1547      82.0   
1 1 1 14 4  39 o 26.20000       1.282000      873.4412      -140.0 
1 1 1 14 4  40 o 1.510000       1.123000      195.7775      33.4   
1 1 1 14 4  41 o 49.23000       1.709000      990.9078      -171.3 
1 1 1 14 4  42 o 31.03000       1.357000      777.9429      -131.4 
1 1 1 14 4  43 o 65.22000       1.864000      1167.823      55.6   
1 1 1 14 4  44 o 4.356000       1.154000      394.2052      -0.2   
1 1 1 14 4  45 o 7.302000       1.412000      415.8257      -105.7 
1 1 1 14 4  46 o 48.45000       2.081000      1005.249      26.6   
1 1 1 14 4  47 o 3.020000       1.218000      248.2119      36.0   
1 1 1 14 4  48 o 10.57000       1.315000      412.9052      38.1   
1 1 1 14 4  49 o 50.25000       2.220000      1137.956      -149.7 
1 1 1 14 4  50 o 29.61000       2.427000      801.4293      46.7   
1 1 1 14 4  51 o 31.57000       1.669000      888.6382      112.2  
1 1 1 14 4  52 o 5.017000       1.388000      224.3499      -61.7  
1 1 1 14 4  53 o 17.24000       1.430000      675.3644      -19.3  
1 1 1 14 4  54 o 13.33000       1.512000      414.4138      101.7  
1 1 1 14 4  55 o 11.94000       1.562000      618.2557      131.9  
1 1 1 14 4  56 o 12.30000       1.481000      533.3509      -80.4  
1 1 1 14 4  57 o 6.322000       1.530000      291.7033      -119.4 
1 1 1 14 4  58 o 4.657000       1.412000      246.6325      -35.3  
1 1 1 14 4  59 o 23.04000       1.678000      ?             ?      
1 1 1 14 4  60 o 7.758000       1.535000      ?             ?      
1 1 1 14 4  61 o 3.112000       1.802000      ?             ?      
1 1 1 14 4  62 o 4.039000       1.787000      ?             ?      
1 1 1 14 4  63 o 7.375000       1.488000      ?             ?      
1 1 1 14 4  64 o 9.937000       1.528000      ?             ?      
1 1 1 14 4  65 o 0.8347000      1.683000      ?             ?      
1 1 1 14 4  66 o 1.007000       1.450000      ?             ?      
1 1 1 14 4  67 o 1.570000       1.331000      ?             ?      
1 1 1 14 4  68 o 0.4526000      1.337000      ?             ?      
1 1 1 14 4  69 o 1.562000       1.344000      ?             ?      
1 1 1 14 4  70 o 5.134000       1.401000      ?             ?      
1 1 1 14 4  71 o 2.859000       1.363000      ?             ?      
1 1 1 14 4  72 o -0.3234000     1.352000      ?             ?      
1 1 1 14 4  73 o 2.592000       1.384000      ?             ?      
1 1 1 14 4  74 o -0.6854000     1.488000      ?             ?      
1 1 1 14 5  0  o 13.44000       0.9243000     883.6039      180.0  
1 1 1 14 5  1  o 178.5000       3.101000      2030.856      -58.9  
1 1 1 14 5  2  o 39.78000       0.8639000     1181.255      145.4  
1 1 1 14 5  3  o 4.394000       0.3577000     262.8352      6.4    
1 1 1 14 5  4  o 3.088000       0.3650000     697.5583      82.6   
1 1 1 14 5  5  o 12.42000       0.5324000     344.8683      73.6   
1 1 1 14 5  6  o 3.128000       0.3441000     285.2327      -121.5 
1 1 1 14 5  7  o 36.11000       0.8959000     922.9279      -27.0  
1 1 1 14 5  8  o 4.060000       0.4198000     259.7044      -80.4  
1 1 1 14 5  9  o 66.26000       1.550000      1321.035      113.0  
1 1 1 14 5  10 o 37.47000       1.004000      816.2725      69.8   
1 1 1 14 5  11 o 150.9000       2.914000      2023.285      91.5   
1 1 1 14 5  12 o 111.5000       2.310000      1623.157      -51.2  
1 1 1 14 5  13 o 172.0000       3.478000      2081.501      62.9   
1 1 1 14 5  14 o 83.83000       1.806000      1325.331      -14.9  
1 1 1 14 5  15 o 21.21000       0.8760000     732.2607      -2.5   
1 1 1 14 5  16 o 20.73000       0.7518000     1146.400      53.4   
1 1 1 14 5  17 o 54.06000       1.402000      591.7921      -169.0 
1 1 1 14 5  18 o 61.14000       1.458000      1216.346      155.0  
1 1 1 14 5  19 o 18.13000       0.8082000     672.3524      175.4  
1 1 1 14 5  20 o 79.51000       1.835000      1466.167      -112.5 
1 1 1 14 5  21 o 178.7000       3.708000      2215.043      107.0  
1 1 1 14 5  22 o 33.77000       1.146000      848.0383      -58.1  
1 1 1 14 5  23 o 19.88000       1.029000      448.3119      -39.1  
1 1 1 14 5  24 o 124.3000       2.769000      1857.053      -85.2  
1 1 1 14 5  25 o 20.44000       1.289000      479.9554      134.5  
1 1 1 14 5  26 o 145.2000       4.460000      1638.096      -24.7  
1 1 1 14 5  27 o 129.7000       3.417000      1535.824      147.4  
1 1 1 14 5  28 o 56.56000       1.933000      1185.950      14.0   
1 1 1 14 5  29 o 36.77000       1.945000      1123.659      -62.6  
1 1 1 14 5  30 o 21.97000       1.842000      824.5891      -104.2 
1 1 1 14 5  31 o 21.41000       1.786000      764.0761      -51.3  
1 1 1 14 5  32 o 6.574000       1.438000      368.5404      -53.8  
1 1 1 14 5  33 o 55.96000       1.991000      723.0046      14.5   
1 1 1 14 5  34 o 13.96000       1.170000      324.5473      53.1   
1 1 1 14 5  35 o 35.15000       1.494000      866.3403      78.6   
1 1 1 14 5  36 o 59.47000       1.865000      846.5786      31.4   
1 1 1 14 5  37 f 8.345000       1.118000      427.1960      145.1  
1 1 1 14 5  38 o 85.54000       2.349000      1624.067      -39.7  
1 1 1 14 5  39 o 26.75000       1.296000      877.6011      163.1  
1 1 1 14 5  40 o 7.130000       1.081000      309.8851      -4.9   
1 1 1 14 5  41 o 15.68000       1.151000      548.0021      -16.6  
1 1 1 14 5  42 o 10.97000       1.122000      360.8741      -127.6 
1 1 1 14 5  43 o 5.317000       1.103000      208.3582      -33.7  
1 1 1 14 5  44 o 9.751000       1.207000      458.8091      173.4  
1 1 1 14 5  45 o 13.37000       1.474000      600.9258      113.4  
1 1 1 14 5  46 o 13.75000       1.369000      477.0351      -16.1  
1 1 1 14 5  47 o 13.92000       1.228000      544.4773      -19.6  
1 1 1 14 5  48 o 1.055000       1.249000      401.4197      -38.4  
1 1 1 14 5  49 o 5.615000       1.416000      330.2660      -150.3 
1 1 1 14 5  50 o 9.322000       1.635000      393.6414      62.7   
1 1 1 14 5  51 o 22.34000       1.555000      543.4895      111.2  
1 1 1 14 5  52 o 13.46000       1.365000      571.5347      71.7   
1 1 1 14 5  53 o 11.70000       1.362000      515.0886      -38.7  
1 1 1 14 5  54 o 2.959000       1.427000      264.7713      -105.2 
1 1 1 14 5  55 o 9.105000       1.500000      463.2820      -73.5  
1 1 1 14 5  56 o 0.1022000      1.512000      153.7911      -104.2 
1 1 1 14 5  57 o 3.500000       1.512000      129.0743      24.7   
1 1 1 14 5  58 o 7.727000       1.444000      408.9799      -83.7  
1 1 1 14 5  59 o 2.631000       1.515000      ?             ?      
1 1 1 14 5  60 o 11.97000       1.694000      ?             ?      
1 1 1 14 5  61 o 15.78000       2.434000      ?             ?      
1 1 1 14 5  62 o 10.25000       1.825000      ?             ?      
1 1 1 14 5  63 o 2.585000       1.352000      ?             ?      
1 1 1 14 5  64 o 6.564000       1.494000      ?             ?      
1 1 1 14 5  65 o 3.575000       1.800000      ?             ?      
1 1 1 14 5  66 o -0.7250000E-01 1.745000      ?             ?      
1 1 1 14 5  67 o -1.752000      1.424000      ?             ?      
1 1 1 14 5  68 o 0.3802000      1.312000      ?             ?      
1 1 1 14 5  69 o 2.687000       1.334000      ?             ?      
1 1 1 14 5  70 o 3.124000       1.361000      ?             ?      
1 1 1 14 5  71 o 2.454000       1.353000      ?             ?      
1 1 1 14 5  72 o 0.7144000E-01  1.363000      ?             ?      
1 1 1 14 5  73 o -1.520000      1.371000      ?             ?      
1 1 1 14 5  74 o -2.127000      1.578000      ?             ?      
1 1 1 14 6  0  o 0.1942000      0.4508000     53.44122      180.0  
1 1 1 14 6  1  o 22.36000       0.6438000     831.4551      -153.9 
1 1 1 14 6  2  o 30.11000       0.7693000     853.9340      85.2   
1 1 1 14 6  3  o 6.649000       0.4474000     649.4679      -105.2 
1 1 1 14 6  4  o 56.08000       1.190000      1120.500      -17.1  
1 1 1 14 6  5  o 13.03000       0.4535000     521.3159      133.5  
1 1 1 14 6  6  o 8.529000       0.4022000     816.0662      -61.5  
1 1 1 14 6  7  o 18.35000       0.5374000     561.7990      -117.2 
1 1 1 14 6  8  o 80.61000       1.784000      1377.181      -145.6 
1 1 1 14 6  9  o 38.15000       0.9617000     1416.540      172.1  
1 1 1 14 6  10 o 99.71000       2.235000      1522.370      148.2  
1 1 1 14 6  11 o 14.42000       0.5513000     952.3263      30.2   
1 1 1 14 6  12 o 2.691000       0.4336000     227.3470      100.9  
1 1 1 14 6  13 o 64.18000       1.437000      1354.032      94.5   
1 1 1 14 6  14 o 228.0000       4.584000      2390.482      150.2  
1 1 1 14 6  15 o 11.05000       0.6095000     379.2182      154.6  
1 1 1 14 6  16 o 63.89000       1.602000      1237.519      36.5   
1 1 1 14 6  17 o 2.106000       0.5874000     529.0257      123.2  
1 1 1 14 6  18 o 8.286000       0.6640000     638.9504      73.3   
1 1 1 14 6  19 o 0.9816000      0.6613000     298.5788      -112.8 
1 1 1 14 6  20 o 45.19000       1.249000      841.0104      133.3  
1 1 1 14 6  21 o 52.54000       1.400000      992.9713      -1.8   
1 1 1 14 6  22 o 5.774000       0.8363000     514.8358      -103.6 
1 1 1 14 6  23 o 6.176000       0.8950000     386.4264      152.0  
1 1 1 14 6  24 o 101.3000       2.549000      1713.547      6.8    
1 1 1 14 6  25 o 34.22000       1.483000      809.4059      -15.4  
1 1 1 14 6  26 o 72.21000       2.643000      1619.832      -157.0 
1 1 1 14 6  27 o 142.2000       4.127000      1565.941      126.1  
1 1 1 14 6  28 o 114.5000       2.964000      1947.586      -10.5  
1 1 1 14 6  29 o 24.93000       1.410000      681.2915      -142.3 
1 1 1 14 6  30 o 12.56000       1.510000      479.1628      171.5  
1 1 1 14 6  31 o 13.88000       1.633000      517.3284      134.0  
1 1 1 14 6  32 o 61.99000       2.367000      1361.392      -142.5 
1 1 1 14 6  33 o 6.346000       1.289000      530.0693      -55.2  
1 1 1 14 6  34 o 2.446000       1.079000      105.3663      1.3    
1 1 1 14 6  35 o 55.42000       1.804000      995.8821      4.4    
1 1 1 14 6  36 o 2.532000       1.175000      170.0907      132.2  
1 1 1 14 6  37 o 21.20000       1.208000      729.0385      43.1   
1 1 1 14 6  38 o 44.15000       1.511000      1166.864      -51.9  
1 1 1 14 6  39 o 43.10000       1.500000      926.1708      140.8  
1 1 1 14 6  40 o 3.176000       1.061000      360.1286      -156.6 
1 1 1 14 6  41 o 2.838000       1.052000      305.3201      -63.9  
1 1 1 14 6  42 o 20.28000       1.208000      622.9655      -47.2  
1 1 1 14 6  43 o 16.57000       1.195000      477.3601      23.5   
1 1 1 14 6  44 o 6.266000       1.255000      435.8871      -27.8  
1 1 1 14 6  45 o 6.548000       1.412000      479.2967      82.2   
1 1 1 14 6  46 o 1.531000       1.191000      215.0243      61.9   
1 1 1 14 6  47 o 2.714000       1.225000      161.3193      -20.0  
1 1 1 14 6  48 o 1.457000       1.154000      188.0023      19.4   
1 1 1 14 6  49 o 1.806000       1.294000      223.5173      176.1  
1 1 1 14 6  50 o -1.300000      1.596000      147.1332      115.3  
1 1 1 14 6  51 o 34.32000       1.875000      778.4984      132.6  
1 1 1 14 6  52 o 13.77000       1.471000      568.8165      -34.9  
1 1 1 14 6  53 o 4.653000       1.322000      354.6657      111.3  
1 1 1 14 6  54 o 9.740000       1.394000      453.7390      100.7  
1 1 1 14 6  55 o 8.011000       1.547000      373.0180      -79.2  
1 1 1 14 6  56 o 9.007000       1.544000      476.5536      11.5   
1 1 1 14 6  57 o 9.205000       1.543000      451.8589      161.4  
1 1 1 14 6  58 o 1.095000       1.394000      55.08102      -172.2 
1 1 1 14 6  59 o 10.78000       1.584000      ?             ?      
1 1 1 14 6  60 o 7.291000       1.631000      ?             ?      
1 1 1 14 6  61 o 7.893000       1.837000      ?             ?      
1 1 1 14 6  62 o 1.881000       1.562000      ?             ?      
1 1 1 14 6  63 o 2.802000       1.351000      ?             ?      
1 1 1 14 6  64 o 1.875000       1.444000      ?             ?      
1 1 1 14 6  65 o -0.9849000     1.451000      ?             ?      
1 1 1 14 6  66 o -1.770000      1.650000      ?             ?      
1 1 1 14 6  67 o 3.314000       1.445000      ?             ?      
1 1 1 14 6  68 o 4.045000       1.344000      ?             ?      
1 1 1 14 6  69 o 1.778000       1.335000      ?             ?      
1 1 1 14 6  70 o 0.4129000      1.337000      ?             ?      
1 1 1 14 6  71 o 1.347000       1.352000      ?             ?      
1 1 1 14 6  72 o 0.9119000      1.361000      ?             ?      
1 1 1 14 6  73 o -0.1994000     1.463000      ?             ?      
1 1 1 14 6  74 o -1.858000      1.743000      ?             ?      
1 1 1 14 7  0  o 5.493000       0.5023000     405.0103      180.0  
1 1 1 14 7  1  o 2.017000       0.3362000     226.9828      -37.2  
1 1 1 14 7  2  o 11.66000       0.4612000     827.5079      111.8  
1 1 1 14 7  3  o 68.14000       1.497000      1480.706      -51.4  
1 1 1 14 7  4  o 1.403000       0.3740000     180.9767      -157.7 
1 1 1 14 7  5  o 55.55000       1.476000      1303.784      51.9   
1 1 1 14 7  6  o 12.82000       0.4756000     355.7466      160.4  
1 1 1 14 7  7  o 3.436000       0.3798000     372.2392      -85.0  
1 1 1 14 7  8  o 7.513000       0.4240000     652.3136      22.7   
1 1 1 14 7  9  o 16.73000       0.6279000     807.8765      30.3   
1 1 1 14 7  10 o 32.38000       0.9132000     1127.869      124.8  
1 1 1 14 7  11 o 0.7611000      0.4136000     73.82392      115.6  
1 1 1 14 7  12 o 10.14000       0.5044000     339.1986      -54.4  
1 1 1 14 7  13 o 17.65000       0.6328000     536.1362      148.1  
1 1 1 14 7  14 o 25.73000       0.7886000     720.1497      -6.5   
1 1 1 14 7  15 o 24.96000       0.9571000     987.4913      -3.0   
1 1 1 14 7  16 o 35.44000       1.070000      1038.284      -178.1 
1 1 1 14 7  17 o 35.46000       1.015000      841.8896      90.2   
1 1 1 14 7  18 o 2.376000       0.6293000     48.69716      85.3   
1 1 1 14 7  19 o 19.15000       0.8417000     740.8807      178.2  
1 1 1 14 7  20 o 15.52000       0.9172000     852.6644      101.0  
1 1 1 14 7  21 o 2.934000       0.7786000     172.5006      -35.4  
1 1 1 14 7  22 o 28.20000       1.101000      720.3599      103.3  
1 1 1 14 7  23 o 11.80000       0.9575000     820.6208      115.9  
1 1 1 14 7  24 o 26.48000       1.319000      614.3296      -107.7 
1 1 1 14 7  25 o 6.992000       1.701000      408.5306      18.8   
1 1 1 14 7  26 o 3.545000       1.304000      77.80334      -27.3  
1 1 1 14 7  27 o 10.50000       1.221000      467.8139      75.1   
1 1 1 14 7  28 o 10.10000       1.368000      345.2814      -101.7 
1 1 1 14 7  29 o 25.79000       1.408000      716.2235      -57.1  
1 1 1 14 7  30 o 6.550000       1.365000      212.1031      -97.9  
1 1 1 14 7  31 o 27.21000       1.513000      586.2449      -84.4  
1 1 1 14 7  32 o 9.049000       1.475000      404.7759      -7.3   
1 1 1 14 7  33 o 7.101000       1.519000      307.3937      -6.8   
1 1 1 14 7  34 o 27.00000       1.630000      879.1512      14.0   
1 1 1 14 7  35 o 13.86000       1.145000      378.8324      67.9   
1 1 1 14 7  36 o 27.87000       1.274000      774.2662      64.5   
1 1 1 14 7  37 o 7.453000       1.072000      492.4782      -157.8 
1 1 1 14 7  38 o 3.988000       1.062000      317.7682      94.5   
1 1 1 14 7  39 o 11.53000       1.110000      569.5725      129.0  
1 1 1 14 7  40 o 50.99000       1.620000      868.9111      -97.1  
1 1 1 14 7  41 o 1.650000       1.054000      284.0804      23.4   
1 1 1 14 7  42 o 1.004000       1.054000      114.7961      139.4  
1 1 1 14 7  43 o 6.768000       1.172000      450.0258      -145.3 
1 1 1 14 7  44 o 2.288000       1.339000      58.66311      -169.7 
1 1 1 14 7  45 o 0.7248000      1.245000      43.40260      152.6  
1 1 1 14 7  46 o 22.07000       1.391000      537.4349      -97.5  
1 1 1 14 7  47 o 7.528000       1.194000      455.4490      -71.4  
1 1 1 14 7  48 o 15.02000       1.268000      509.5961      94.1   
1 1 1 14 7  49 o 2.595000       1.315000      147.8687      -118.9 
1 1 1 14 7  50 o 6.152000       1.469000      516.9393      -7.5   
1 1 1 14 7  51 o 18.30000       1.822000      522.8787      121.1  
1 1 1 14 7  52 o 5.960000       1.423000      346.3133      -141.3 
1 1 1 14 7  53 o 8.851000       1.354000      362.0834      -90.1  
1 1 1 14 7  54 o 8.399000       1.388000      413.7352      -50.6  
1 1 1 14 7  55 o 1.798000       1.374000      74.39542      151.6  
1 1 1 14 7  56 o 1.032000       1.402000      159.4737      103.1  
1 1 1 14 7  57 o 2.202000       1.399000      247.2543      121.4  
1 1 1 14 7  58 o 10.37000       1.453000      507.5257      -105.4 
1 1 1 14 7  59 o 2.547000       1.597000      ?             ?      
1 1 1 14 7  60 o 4.786000       1.790000      ?             ?      
1 1 1 14 7  61 o 8.388000       1.790000      ?             ?      
1 1 1 14 7  62 o 4.240000       1.479000      ?             ?      
1 1 1 14 7  63 o 1.538000       1.436000      ?             ?      
1 1 1 14 7  64 o -2.159000      1.413000      ?             ?      
1 1 1 14 7  65 o 2.002000       1.456000      ?             ?      
1 1 1 14 7  66 o -2.424000      2.131000      ?             ?      
1 1 1 14 7  67 o 4.188000       1.751000      ?             ?      
1 1 1 14 7  68 o 2.932000       1.432000      ?             ?      
1 1 1 14 7  69 o 1.552000       1.325000      ?             ?      
1 1 1 14 7  70 o -1.980000      1.322000      ?             ?      
1 1 1 14 7  71 o 0.7238000      1.339000      ?             ?      
1 1 1 14 7  72 o 2.297000       1.381000      ?             ?      
1 1 1 14 7  73 o -0.6524000     1.564000      ?             ?      
1 1 1 14 7  74 o 0.2061000      1.675000      ?             ?      
1 1 1 14 8  0  o 4.777000       0.5000000     186.5313      -180.0 
1 1 1 14 8  1  o 3.671000       0.3790000     104.4372      -130.2 
1 1 1 14 8  2  o 7.690000       0.4351000     380.2895      0.2    
1 1 1 14 8  3  o 17.39000       0.6685000     809.9161      -127.9 
1 1 1 14 8  4  o 17.15000       0.6211000     660.8885      91.1   
1 1 1 14 8  5  o 9.075000       0.4542000     571.1459      165.6  
1 1 1 14 8  6  o 7.210000       0.4629000     586.0233      102.5  
1 1 1 14 8  7  o 3.186000       0.3941000     374.5107      105.2  
1 1 1 14 8  8  o 4.097000       0.4014000     196.6744      88.3   
1 1 1 14 8  9  o 14.12000       0.6202000     641.3421      58.7   
1 1 1 14 8  10 o 4.522000       0.5221000     239.8826      117.9  
1 1 1 14 8  11 o 4.562000       0.4463000     534.8472      -111.2 
1 1 1 14 8  12 o 4.484000       0.4625000     507.3466      97.1   
1 1 1 14 8  13 o 15.86000       0.6609000     759.0106      81.8   
1 1 1 14 8  14 o 6.256000       0.5357000     270.1051      63.5   
1 1 1 14 8  15 o 34.57000       1.134000      1068.074      52.8   
1 1 1 14 8  16 o 8.755000       0.6406000     410.0867      66.8   
1 1 1 14 8  17 o 29.83000       1.121000      627.4946      8.1    
1 1 1 14 8  18 o 3.520000       0.6500000     242.6368      30.9   
1 1 1 14 8  19 o 21.97000       1.009000      729.5994      -74.0  
1 1 1 14 8  20 o 93.52000       2.501000      1581.201      -143.6 
1 1 1 14 8  21 o 5.634000       0.8234000     276.9261      -72.8  
1 1 1 14 8  22 o 32.32000       1.321000      656.0961      -21.0  
1 1 1 14 8  23 o 36.07000       1.440000      887.4246      -127.7 
1 1 1 14 8  24 o 3.575000       1.092000      267.9806      -53.3  
1 1 1 14 8  25 o 17.48000       1.972000      633.6038      177.0  
1 1 1 14 8  26 o 12.31000       1.570000      539.7830      -176.1 
1 1 1 14 8  27 o 10.02000       1.212000      484.0962      -13.2  
1 1 1 14 8  28 o 20.14000       1.399000      846.1844      14.6   
1 1 1 14 8  29 o 9.167000       1.223000      485.9883      -94.3  
1 1 1 14 8  30 o 28.56000       1.412000      769.1059      146.6  
1 1 1 14 8  31 o 2.330000       1.184000      109.3147      -42.8  
1 1 1 14 8  32 o 0.4336000E-01  1.411000      149.7797      104.0  
1 1 1 14 8  33 o 2.971000       1.460000      277.6236      62.8   
1 1 1 14 8  34 o 27.45000       1.412000      697.8333      -19.3  
1 1 1 14 8  35 o 27.91000       1.299000      894.9185      116.6  
1 1 1 14 8  36 o 18.49000       1.153000      705.2366      -89.5  
1 1 1 14 8  37 o 4.204000       1.038000      236.3410      -34.9  
1 1 1 14 8  38 o 11.41000       1.092000      607.3154      -103.1 
1 1 1 14 8  39 o 9.356000       1.082000      436.5494      -156.9 
1 1 1 14 8  40 o 3.604000       1.057000      367.1800      -36.2  
1 1 1 14 8  41 o 1.915000       1.048000      110.1890      -37.3  
1 1 1 14 8  42 o 4.167000       1.071000      197.5698      -54.8  
1 1 1 14 8  43 o 6.892000       1.226000      281.9739      -27.9  
1 1 1 14 8  44 o 5.519000       1.380000      357.1953      16.6   
1 1 1 14 8  45 o 3.467000       1.195000      300.8488      -47.2  
1 1 1 14 8  46 o 7.521000       1.178000      388.6294      -82.7  
1 1 1 14 8  47 o 4.843000       1.166000      262.1515      -116.7 
1 1 1 14 8  48 o 4.510000       1.199000      271.5526      64.3   
1 1 1 14 8  49 o 6.772000       1.253000      348.1625      -176.2 
1 1 1 14 8  50 o 4.518000       1.421000      269.5586      30.8   
1 1 1 14 8  51 o 3.222000       1.654000      334.2019      121.8  
1 1 1 14 8  52 o 0.6142000      1.541000      164.1168      -121.5 
1 1 1 14 8  53 o 2.862000       1.444000      173.6412      41.4   
1 1 1 14 8  54 o 3.089000       1.367000      133.7772      15.3   
1 1 1 14 8  55 o 4.250000       1.400000      335.2787      102.4  
1 1 1 14 8  56 o 2.025000       1.399000      195.9008      125.7  
1 1 1 14 8  57 o 1.943000       1.391000      135.3650      162.5  
1 1 1 14 8  58 o -0.1642000     1.382000      151.9190      -100.1 
1 1 1 14 8  59 o 2.013000       1.559000      ?             ?      
1 1 1 14 8  60 o -3.790000      1.712000      ?             ?      
1 1 1 14 8  61 o 0.9565000      1.438000      ?             ?      
1 1 1 14 8  62 o -0.8269000     1.422000      ?             ?      
1 1 1 14 8  63 o 0.5745000      1.440000      ?             ?      
1 1 1 14 8  64 o 1.771000       1.586000      ?             ?      
1 1 1 14 8  65 o 1.101000       1.441000      ?             ?      
1 1 1 14 8  66 o 4.606000       1.726000      ?             ?      
1 1 1 14 8  67 o 1.299000       1.738000      ?             ?      
1 1 1 14 8  68 o 5.197000       1.568000      ?             ?      
1 1 1 14 8  69 o -3.739000      1.398000      ?             ?      
1 1 1 14 8  70 o 3.040000       1.342000      ?             ?      
1 1 1 14 8  71 o 2.805000       1.356000      ?             ?      
1 1 1 14 8  72 o 0.7945000      1.912000      ?             ?      
1 1 1 14 8  73 o 0.8196000E-01  1.560000      ?             ?      
1 1 1 14 8  74 o 2.196000       2.668000      ?             ?      
1 1 1 14 9  0  o 6.062000       0.5310000     175.7835      -0.0   
1 1 1 14 9  1  o 14.92000       0.6472000     720.9908      -23.0  
1 1 1 14 9  2  o 4.487000       0.3666000     344.5187      -56.2  
1 1 1 14 9  3  o 3.318000       0.3796000     213.5574      -177.1 
1 1 1 14 9  4  o -0.3951000     0.3741000     166.1907      161.4  
1 1 1 14 9  5  o 5.638000       0.4391000     296.7194      158.2  
1 1 1 14 9  6  o 4.945000       0.4498000     362.0237      121.8  
1 1 1 14 9  7  o -0.4834000E-01 0.3832000     211.1189      -124.3 
1 1 1 14 9  8  o 2.699000       0.4102000     322.0027      7.6    
1 1 1 14 9  9  o 4.891000       0.4310000     324.2626      85.9   
1 1 1 14 9  10 o 11.21000       0.5578000     508.8307      104.7  
1 1 1 14 9  11 o 3.420000       0.4514000     624.2824      -125.3 
1 1 1 14 9  12 o 3.534000       0.4669000     173.0584      105.6  
1 1 1 14 9  13 o 10.16000       0.5561000     621.3430      98.9   
1 1 1 14 9  14 o 3.482000       0.5299000     495.5113      5.9    
1 1 1 14 9  15 o 5.597000       0.6164000     315.3718      179.0  
1 1 1 14 9  16 o 9.044000       0.6516000     437.5855      162.1  
1 1 1 14 9  17 o 34.91000       1.215000      762.7015      32.3   
1 1 1 14 9  18 o 3.608000       0.6803000     231.4122      20.9   
1 1 1 14 9  19 o 25.96000       1.095000      775.5957      -77.3  
1 1 1 14 9  20 o 12.54000       1.024000      398.0658      54.7   
1 1 1 14 9  21 o 5.796000       0.8603000     397.0656      -57.8  
1 1 1 14 9  22 o 19.53000       1.048000      738.9067      77.3   
1 1 1 14 9  23 o 7.809000       1.248000      200.9353      -13.6  
1 1 1 14 9  24 o 16.73000       1.425000      609.6028      -24.6  
1 1 1 14 9  25 o 1.120000       1.323000      106.8930      147.1  
1 1 1 14 9  26 o 7.969000       1.224000      260.7426      -58.5  
1 1 1 14 9  27 o 5.461000       1.153000      115.8734      46.7   
1 1 1 14 9  28 o -1.105000      1.233000      382.7521      123.3  
1 1 1 14 9  29 o 5.156000       1.205000      328.2871      129.5  
1 1 1 14 9  30 o 2.267000       1.052000      296.8671      65.6   
1 1 1 14 9  31 o 9.236000       1.190000      479.6346      -167.0 
1 1 1 14 9  32 o 2.068000       1.222000      79.16570      26.8   
1 1 1 14 9  33 o 5.946000       1.386000      446.7476      -32.4  
1 1 1 14 9  34 o 14.24000       1.371000      414.3419      2.3    
1 1 1 14 9  35 o 5.772000       1.151000      341.1909      59.4   
1 1 1 14 9  36 o 0.5045000      1.019000      201.0340      -95.2  
1 1 1 14 9  37 o 2.132000       1.022000      172.5566      40.1   
1 1 1 14 9  38 o 4.127000       1.030000      289.3680      25.0   
1 1 1 14 9  39 o 4.088000       1.040000      234.1495      -31.1  
1 1 1 14 9  40 o 4.131000       1.041000      332.9417      -55.2  
1 1 1 14 9  41 o 6.228000       1.073000      242.8086      125.7  
1 1 1 14 9  42 o 1.177000       1.105000      120.7113      120.6  
1 1 1 14 9  43 o -0.7967000E-01 1.283000      108.4744      62.0   
1 1 1 14 9  44 o 9.824000       1.288000      458.3913      7.2    
1 1 1 14 9  45 o 2.658000       1.128000      167.3033      -55.7  
1 1 1 14 9  46 o 9.324000       1.181000      376.2490      -44.0  
1 1 1 14 9  47 o 1.309000       1.142000      159.1892      160.8  
1 1 1 14 9  48 o 0.8566000      1.177000      225.5551      -28.1  
1 1 1 14 9  49 o -0.7050000     1.195000      93.07883      -4.4   
1 1 1 14 9  50 o 2.895000       1.324000      153.4968      -54.3  
1 1 1 14 9  51 o 4.532000       1.755000      300.4040      167.6  
1 1 1 14 9  52 o 6.156000       1.776000      329.2648      -119.0 
1 1 1 14 9  53 o 1.443000       1.456000      84.28028      -34.4  
1 1 1 14 9  54 o 0.5500000      1.374000      93.32429      -173.5 
1 1 1 14 9  55 o 3.747000       1.401000      290.1627      139.5  
1 1 1 14 9  56 o -0.1697000     1.380000      105.8384      135.0  
1 1 1 14 9  57 o 1.485000       1.380000      169.6088      -32.6  
1 1 1 14 9  58 f 0.7234000      1.477000      237.5415      -93.3  
1 1 1 14 9  59 o 1.885000       1.710000      ?             ?      
1 1 1 14 9  60 o 4.656000       1.550000      ?             ?      
1 1 1 14 9  61 o 2.098000       1.344000      ?             ?      
1 1 1 14 9  62 o 0.7219000      1.336000      ?             ?      
1 1 1 14 9  63 o -0.2923000     1.410000      ?             ?      
1 1 1 14 9  64 o 0.3465000      1.411000      ?             ?      
1 1 1 14 9  65 o -0.7414000     1.312000      ?             ?      
1 1 1 14 9  66 o 3.147000       1.610000      ?             ?      
1 1 1 14 9  67 o 0.3967000      1.657000      ?             ?      
1 1 1 14 9  68 o -1.272000      1.719000      ?             ?      
1 1 1 14 9  69 o 4.255000       1.456000      ?             ?      
1 1 1 14 9  70 o 3.653000       1.447000      ?             ?      
1 1 1 14 9  71 o 1.706000       1.450000      ?             ?      
1 1 1 14 9  72 o -1.849000      1.458000      ?             ?      
1 1 1 14 9  73 o 1.823000       1.640000      ?             ?      
1 1 1 14 9  74 o 3.634000       2.229000      ?             ?      
1 1 1 14 10 0  o 1.621000       0.4924000     201.3721      -180.0 
1 1 1 14 10 1  o 1.062000       0.3470000     215.0365      98.3   
1 1 1 14 10 2  o 0.5700000      0.3892000     124.4728      65.6   
1 1 1 14 10 3  o -0.3167000     0.3730000     13.58265      -129.8 
1 1 1 14 10 4  o -0.3548000     0.3786000     113.7844      -136.1 
1 1 1 14 10 5  o 0.3611000      0.4015000     257.3475      -153.9 
1 1 1 14 10 6  o 0.5702000      0.4389000     122.5685      -134.1 
1 1 1 14 10 7  o 0.9093000      0.4471000     216.8272      76.5   
1 1 1 14 10 8  o 0.3539000      0.4227000     145.9833      52.4   
1 1 1 14 10 9  o 2.359000       0.4363000     233.9908      91.1   
1 1 1 14 10 10 o 0.9753000      0.4419000     202.7883      -124.5 
1 1 1 14 10 11 o 1.350000       0.4691000     76.74143      24.5   
1 1 1 14 10 12 o 0.5066000      0.4728000     163.1428      -26.9  
1 1 1 14 10 13 o 4.339000       0.5218000     209.7373      -10.2  
1 1 1 14 10 14 o -0.1334000     0.5143000     160.0466      89.4   
1 1 1 14 10 15 o 1.365000       0.5472000     123.2577      -169.9 
1 1 1 14 10 16 o 2.925000       0.6151000     113.7174      -81.2  
1 1 1 14 10 17 o 3.283000       0.7566000     236.3098      72.0   
1 1 1 14 10 18 o 5.019000       0.8136000     162.4069      -46.3  
1 1 1 14 10 19 o 1.056000       0.7429000     82.31602      118.8  
1 1 1 14 10 20 o 3.495000       0.8903000     182.1592      -126.6 
1 1 1 14 10 21 o 3.064000       0.9651000     27.48193      79.6   
1 1 1 14 10 22 o 18.32000       1.146000      493.3694      -74.2  
1 1 1 14 10 23 o 5.789000       1.182000      103.1896      -81.3  
1 1 1 14 10 24 o 2.434000       1.253000      312.4209      140.9  
1 1 1 14 10 25 o 6.466000       1.327000      168.9147      -159.7 
1 1 1 14 10 26 o 6.259000       1.188000      404.8590      -11.6  
1 1 1 14 10 27 o 4.122000       1.128000      259.8771      -61.6  
1 1 1 14 10 28 o 3.701000       1.116000      229.8265      -163.6 
1 1 1 14 10 29 o 1.351000       1.005000      240.6314      -63.3  
1 1 1 14 10 30 o 3.989000       1.030000      257.0268      -161.9 
1 1 1 14 10 31 o 1.460000       1.146000      300.7728      165.0  
1 1 1 14 10 32 o 2.317000       1.212000      262.5220      -7.0   
1 1 1 14 10 33 o 0.4708000      1.368000      252.1639      34.9   
1 1 1 14 10 34 o 0.6766000      1.189000      228.3608      97.9   
1 1 1 14 10 35 o 3.765000       1.121000      150.2625      -72.4  
1 1 1 14 10 36 o 0.1794000      1.015000      168.2768      -171.2 
1 1 1 14 10 37 o 1.294000       1.017000      131.5476      -70.5  
1 1 1 14 10 38 o 3.051000       1.018000      265.8929      -76.4  
1 1 1 14 10 39 o 0.5218000      1.021000      272.1150      -139.1 
1 1 1 14 10 40 o 1.547000       1.020000      185.8719      -34.1  
1 1 1 14 10 41 o 0.6223000      1.018000      179.7773      55.9   
1 1 1 14 10 42 o -0.3285000     1.142000      80.54238      -59.8  
1 1 1 14 10 43 o 3.569000       1.302000      231.1807      -48.8  
1 1 1 14 10 44 o 1.822000       1.156000      119.8530      113.9  
1 1 1 14 10 45 o 2.820000       1.126000      129.8430      70.5   
1 1 1 14 10 46 o -0.5949000     1.122000      52.90412      104.9  
1 1 1 14 10 47 o 1.703000       1.153000      107.7414      -75.6  
1 1 1 14 10 48 o 1.962000       1.181000      52.11115      -136.0 
1 1 1 14 10 49 o 0.9567000      1.201000      179.3608      28.2   
1 1 1 14 10 50 o 0.3402000      1.311000      77.35446      117.5  
1 1 1 14 10 51 o 0.4655000      1.457000      109.8768      175.7  
1 1 1 14 10 52 o 6.077000       1.801000      272.9039      -54.4  
1 1 1 14 10 53 o 7.255000       1.657000      167.6467      -50.3  
1 1 1 14 10 54 o -0.2172000     1.470000      118.5916      99.0   
1 1 1 14 10 55 o -1.435000      1.366000      176.7619      128.2  
1 1 1 14 10 56 o 1.923000       1.383000      151.2442      -156.2 
1 1 1 14 10 57 o -1.098000      1.376000      58.83156      -105.1 
1 1 1 14 10 58 o 1.101000       1.553000      51.80787      -113.4 
1 1 1 14 10 59 f 3.613000       1.713000      ?             ?      
1 1 1 14 10 60 o 4.298000       1.465000      ?             ?      
1 1 1 14 10 61 o -0.2951000     1.328000      ?             ?      
1 1 1 14 10 62 o 0.2946000      1.341000      ?             ?      
1 1 1 14 10 63 o 1.480000       1.322000      ?             ?      
1 1 1 14 10 64 o 0.4468000      1.328000      ?             ?      
1 1 1 14 10 65 o 1.541000       1.407000      ?             ?      
1 1 1 14 10 66 o 4.669000       1.547000      ?             ?      
1 1 1 14 10 67 o -0.6030000     1.568000      ?             ?      
1 1 1 14 10 68 o -0.5347000     1.749000      ?             ?      
1 1 1 14 10 69 o 2.486000       1.631000      ?             ?      
1 1 1 14 10 70 o 0.2527000      1.425000      ?             ?      
1 1 1 14 10 71 o 0.2383000      1.453000      ?             ?      
1 1 1 14 10 72 o 0.4620000E-01  1.555000      ?             ?      
1 1 1 14 10 73 o -0.6167000E-01 1.862000      ?             ?      
1 1 1 14 10 74 o -0.8031000     1.876000      ?             ?      
1 1 1 14 11 0  o -1.153000      0.4999000     40.64831      -180.0 
1 1 1 14 11 1  o -0.3712000     0.4897000     49.83469      -165.3 
1 1 1 14 11 2  o 0.2088000E-01  0.3493000     81.01347      82.2   
1 1 1 14 11 3  o 0.5958000      0.3599000     167.3088      -54.7  
1 1 1 14 11 4  o -0.8471000     0.3938000     181.0904      -50.4  
1 1 1 14 11 5  o -0.8330000     0.4479000     197.6449      -114.0 
1 1 1 14 11 6  o -0.5976000     0.4451000     122.4607      118.2  
1 1 1 14 11 7  o -0.3979000     0.4756000     191.8714      -106.2 
1 1 1 14 11 8  o -0.6857000     0.4840000     80.96966      141.4  
1 1 1 14 11 9  o 1.338000       0.4621000     71.44643      72.1   
1 1 1 14 11 10 o 0.2703000      0.4582000     94.83180      -149.3 
1 1 1 14 11 11 o 0.4314000      0.4827000     217.2459      57.6   
1 1 1 14 11 12 o 3.317000       0.5132000     317.6483      140.1  
1 1 1 14 11 13 o 0.6784000      0.5143000     173.6079      -151.7 
1 1 1 14 11 14 o 0.2422000      0.6590000     239.3673      -90.2  
1 1 1 14 11 15 o 1.689000       0.6717000     249.9833      -170.6 
1 1 1 14 11 16 o 4.593000       0.7680000     43.54058      -37.3  
1 1 1 14 11 17 o 1.670000       0.6781000     204.0668      -111.5 
1 1 1 14 11 18 o 3.122000       0.8096000     135.8811      -87.0  
1 1 1 14 11 19 o 0.4946000      0.7538000     2.027962      18.4   
1 1 1 14 11 20 o 1.011000       0.8497000     64.24718      170.0  
1 1 1 14 11 21 o 3.966000       0.9796000     122.2121      45.3   
1 1 1 14 11 22 o 5.751000       1.022000      457.5082      117.3  
1 1 1 14 11 23 o 0.9690000      1.247000      69.67674      -105.7 
1 1 1 14 11 24 o 4.032000       1.232000      138.2124      176.4  
1 1 1 14 11 25 o 4.591000       1.076000      141.4790      -33.5  
1 1 1 14 11 26 o 3.718000       1.087000      20.27493      73.5   
1 1 1 14 11 27 o 2.039000       1.105000      239.0938      111.9  
1 1 1 14 11 28 o 4.491000       1.033000      318.7956      79.4   
1 1 1 14 11 29 o 0.2190000      0.9917000     84.53078      141.6  
1 1 1 14 11 30 o 0.3703000      1.014000      137.4291      -142.7 
1 1 1 14 11 31 o 0.4127000      1.049000      70.38480      47.4   
1 1 1 14 11 32 o 1.530000       1.129000      189.0292      -53.9  
1 1 1 14 11 33 o 6.981000       1.261000      358.3481      -93.6  
1 1 1 14 11 34 o 3.983000       1.379000      209.3322      -104.5 
1 1 1 14 11 35 o 6.207000       1.253000      144.2484      -90.5  
1 1 1 14 11 36 o -2.150000      1.094000      116.6891      42.8   
1 1 1 14 11 37 o 1.315000       1.021000      198.4731      -120.1 
1 1 1 14 11 38 o 2.193000       1.026000      88.74493      116.0  
1 1 1 14 11 39 o 2.570000       1.022000      176.2231      67.8   
1 1 1 14 11 40 o 4.519000       1.047000      229.4970      160.1  
1 1 1 14 11 41 o 1.351000       1.078000      85.21868      167.1  
1 1 1 14 11 42 o 1.386000       1.223000      70.23192      67.3   
1 1 1 14 11 43 o 2.269000       1.203000      78.31918      -114.9 
1 1 1 14 11 44 o 3.006000       1.090000      89.59368      -49.1  
1 1 1 14 11 45 o 3.292000       1.112000      146.3259      80.8   
1 1 1 14 11 46 o 0.3507000      1.117000      137.3150      83.0   
1 1 1 14 11 47 o 1.386000       1.155000      165.8074      -110.0 
1 1 1 14 11 48 o 2.096000       1.177000      207.6725      38.0   
1 1 1 14 11 49 o 2.328000       1.201000      161.7268      165.6  
1 1 1 14 11 50 o 3.512000       1.288000      229.8904      162.7  
1 1 1 14 11 51 o 2.341000       1.374000      76.48901      86.2   
1 1 1 14 11 52 o 2.686000       1.732000      124.3395      -82.4  
1 1 1 14 11 53 o 1.305000       1.641000      112.0072      -80.6  
1 1 1 14 11 54 o 2.445000       1.494000      154.2299      -73.3  
1 1 1 14 11 55 o 0.5931000      1.382000      91.05115      -84.4  
1 1 1 14 11 56 o 1.086000       1.374000      148.4088      -74.9  
1 1 1 14 11 57 o 2.645000       1.473000      185.7042      14.8   
1 1 1 14 11 58 o 3.134000       1.745000      ?             ?      
1 1 1 14 11 59 o 0.1543000      1.520000      ?             ?      
1 1 1 14 11 60 o 1.910000       1.355000      ?             ?      
1 1 1 14 11 61 o 2.162000       1.343000      ?             ?      
1 1 1 14 11 62 o 1.522000       1.337000      ?             ?      
1 1 1 14 11 63 o 1.225000       1.328000      ?             ?      
1 1 1 14 11 64 o 1.460000       1.321000      ?             ?      
1 1 1 14 11 65 o 0.7109000      1.308000      ?             ?      
1 1 1 14 11 66 o -0.8720000     1.314000      ?             ?      
1 1 1 14 11 67 o -1.363000      1.445000      ?             ?      
1 1 1 14 11 68 o 3.518000       2.184000      ?             ?      
1 1 1 14 11 69 o -0.1473000     1.735000      ?             ?      
1 1 1 14 11 70 o 0.7846000E-02  1.424000      ?             ?      
1 1 1 14 11 71 o -0.2500000     2.162000      ?             ?      
1 1 1 14 11 72 o 0.8033000      2.560000      ?             ?      
1 1 1 14 11 73 o 2.158000       1.598000      ?             ?      
1 1 1 14 12 0  o -0.4442000     0.5119000     25.56741      -0.0   
1 1 1 14 12 1  o -0.1135000     0.3544000     27.23846      -104.3 
1 1 1 14 12 2  o 0.9636000      0.3655000     87.74023      76.3   
1 1 1 14 12 3  o 0.6956000      0.3779000     139.3677      -29.0  
1 1 1 14 12 4  o 5.144000       0.5341000     436.4711      18.4   
1 1 1 14 12 5  o -0.1803000     0.4511000     199.5814      -5.5   
1 1 1 14 12 6  o 0.4828000      0.4747000     121.8833      153.7  
1 1 1 14 12 7  o 0.2328000      0.4956000     369.9258      -72.8  
1 1 1 14 12 8  o -0.6485000     0.5002000     91.16332      -24.9  
1 1 1 14 12 9  o -0.2304000     0.4693000     59.93678      -100.2 
1 1 1 14 12 10 o -0.4154000     0.4770000     166.4433      -164.6 
1 1 1 14 12 11 o 0.3424000      0.5032000     104.7783      -99.7  
1 1 1 14 12 12 o 8.029000       0.7129000     513.0138      -63.0  
1 1 1 14 12 13 o 0.9519000      0.6754000     175.6783      -167.0 
1 1 1 14 12 14 o 0.9794000      0.5770000     133.5978      -27.2  
1 1 1 14 12 15 o 9.470000       0.7481000     488.5219      -140.8 
1 1 1 14 12 16 o 2.424000       0.6986000     406.4070      -81.9  
1 1 1 14 12 17 o 5.661000       0.7908000     465.9204      -30.8  
1 1 1 14 12 18 o 5.454000       0.8985000     367.9555      104.3  
1 1 1 14 12 19 o 2.720000       0.7733000     127.8106      -108.7 
1 1 1 14 12 20 o 0.4604000      0.8740000     113.1366      -129.2 
1 1 1 14 12 21 o -0.9346000E-01 0.9312000     80.14333      112.8  
1 1 1 14 12 22 o 6.017000       1.010000      431.7347      100.1  
1 1 1 14 12 23 o 1.853000       1.149000      207.3625      108.8  
1 1 1 14 12 24 o 3.235000       1.112000      211.6545      -76.7  
1 1 1 14 12 25 o 7.500000       1.074000      314.6801      160.9  
1 1 1 14 12 26 o 5.007000       1.102000      266.4413      -150.2 
1 1 1 14 12 27 o 2.634000       1.033000      170.8773      -37.6  
1 1 1 14 12 28 o 5.755000       1.005000      428.1485      120.9  
1 1 1 14 12 29 o 0.2815000      0.9927000     119.8295      -100.1 
1 1 1 14 12 30 o 7.977000       1.056000      402.8704      143.8  
1 1 1 14 12 31 o 21.28000       1.193000      684.8986      82.2   
1 1 1 14 12 32 o 1.500000       1.116000      203.9579      -53.5  
1 1 1 14 12 33 o 2.435000       1.217000      206.4862      -45.1  
1 1 1 14 12 34 o -0.9913000     1.347000      161.6031      47.2   
1 1 1 14 12 35 o 3.297000       1.168000      136.4222      176.1  
1 1 1 14 12 36 o 2.925000       1.120000      142.0470      -115.3 
1 1 1 14 12 37 o 3.046000       1.053000      225.2472      22.4   
1 1 1 14 12 38 o 4.198000       1.045000      284.1168      -103.1 
1 1 1 14 12 39 o 1.662000       1.016000      172.9928      -126.9 
1 1 1 14 12 40 o 4.629000       1.062000      412.0363      -17.2  
1 1 1 14 12 41 o 2.133000       1.134000      227.5333      -136.8 
1 1 1 14 12 42 o 0.7906000      1.251000      111.8544      -11.7  
1 1 1 14 12 43 o 3.299000       1.192000      244.2607      -36.3  
1 1 1 14 12 44 o 0.3479000      1.065000      168.0123      -138.2 
1 1 1 14 12 45 o 3.986000       1.111000      89.33563      111.3  
1 1 1 14 12 46 o 7.795000       1.172000      440.1879      16.1   
1 1 1 14 12 47 o 6.263000       1.199000      275.3484      102.8  
1 1 1 14 12 48 o 4.462000       1.198000      349.9849      -74.2  
1 1 1 14 12 49 o 3.997000       1.210000      259.6013      118.7  
1 1 1 14 12 50 o 2.465000       1.234000      252.5616      -80.9  
1 1 1 14 12 51 o 1.800000       1.366000      292.3528      -31.9  
1 1 1 14 12 52 o 4.240000       1.535000      240.2155      66.4   
1 1 1 14 12 53 o 4.011000       1.812000      231.0223      119.2  
1 1 1 14 12 54 o 3.703000       1.671000      235.6306      -2.1   
1 1 1 14 12 55 o 2.540000       1.501000      246.4041      20.6   
1 1 1 14 12 56 o 0.7351000      1.379000      76.71967      133.5  
1 1 1 14 12 57 o 1.836000       1.553000      204.2062      169.7  
1 1 1 14 12 58 o 0.7063000      1.714000      ?             ?      
1 1 1 14 12 59 o 1.164000       1.442000      ?             ?      
1 1 1 14 12 60 o -1.077000      1.347000      ?             ?      
1 1 1 14 12 61 o 6.704000       1.385000      ?             ?      
1 1 1 14 12 62 o 0.9496000      1.330000      ?             ?      
1 1 1 14 12 63 o 5.300000       1.358000      ?             ?      
1 1 1 14 12 64 o 1.039000       1.314000      ?             ?      
1 1 1 14 12 65 o 1.060000       1.310000      ?             ?      
1 1 1 14 12 66 o 1.047000       1.316000      ?             ?      
1 1 1 14 12 67 o -0.5160000     1.437000      ?             ?      
1 1 1 14 12 68 o -0.1600000     1.877000      ?             ?      
1 1 1 14 12 69 o 0.8910000      1.778000      ?             ?      
1 1 1 14 12 70 o -3.915000      1.540000      ?             ?      
1 1 1 14 12 71 o -0.4274000     1.699000      ?             ?      
1 1 1 14 12 72 o -1.114000      1.699000      ?             ?      
1 1 1 14 12 73 o 2.954000       1.605000      ?             ?      
1 1 1 14 13 0  o 2.398000       0.5678000     281.2383      180.0  
1 1 1 14 13 1  o 19.16000       0.7254000     613.2368      130.6  
1 1 1 14 13 2  o 4.157000       0.4010000     501.3128      41.2   
1 1 1 14 13 3  o 2.073000       0.3998000     170.6107      23.4   
1 1 1 14 13 4  o -0.4332000     0.4664000     262.3763      -172.8 
1 1 1 14 13 5  o 8.002000       0.5349000     400.7078      156.7  
1 1 1 14 13 6  o 3.034000       0.5229000     304.2673      55.8   
1 1 1 14 13 7  o 1.853000       0.5245000     204.1842      -120.3 
1 1 1 14 13 8  o 1.910000       0.6145000     316.5216      -14.9  
1 1 1 14 13 9  o 1.422000       0.5811000     62.64846      -21.8  
1 1 1 14 13 10 o 1.425000       0.5807000     47.31248      -105.1 
1 1 1 14 13 11 o 2.519000       0.5445000     359.8320      6.4    
1 1 1 14 13 12 o -0.8861000E-01 0.6143000     143.3064      -145.6 
1 1 1 14 13 13 o 2.152000       0.6327000     272.6167      -83.0  
1 1 1 14 13 14 o 22.40000       1.092000      846.1420      -99.0  
1 1 1 14 13 15 o 1.442000       0.6623000     115.4999      -131.6 
1 1 1 14 13 16 o 5.050000       0.6881000     265.0467      -32.4  
1 1 1 14 13 17 o 2.874000       0.6925000     111.6596      133.3  
1 1 1 14 13 18 o 6.072000       0.8398000     465.2572      41.0   
1 1 1 14 13 19 o 46.96000       1.472000      1313.438      -169.6 
1 1 1 14 13 20 o 9.967000       0.9103000     459.7954      27.1   
1 1 1 14 13 21 o 18.05000       1.078000      842.8246      -133.9 
1 1 1 14 13 22 o 0.3165000      1.078000      246.9777      29.6   
1 1 1 14 13 23 o 2.201000       1.123000      199.7000      21.5   
1 1 1 14 13 24 o 9.070000       1.085000      534.7798      94.7   
1 1 1 14 13 25 o 4.475000       1.076000      290.1100      12.4   
1 1 1 14 13 26 o 30.08000       1.360000      1115.150      -128.0 
1 1 1 14 13 27 o 9.480000       1.024000      443.6847      142.8  
1 1 1 14 13 28 o 3.728000       0.9977000     177.0826      -167.7 
1 1 1 14 13 29 o 17.61000       1.116000      595.7738      -94.6  
1 1 1 14 13 30 o 3.938000       1.010000      333.0755      160.4  
1 1 1 14 13 31 o 5.126000       1.013000      293.0519      52.7   
1 1 1 14 13 32 o 5.961000       1.126000      379.2874      84.4   
1 1 1 14 13 33 o 12.72000       1.203000      428.3948      -138.5 
1 1 1 14 13 34 o 4.439000       1.224000      319.0196      52.0   
1 1 1 14 13 35 o 1.416000       1.344000      147.9107      -95.4  
1 1 1 14 13 36 o -0.1277000     1.448000      78.44276      97.0   
1 1 1 14 13 37 o 8.225000       1.165000      326.0874      -47.2  
1 1 1 14 13 38 o 7.769000       1.080000      270.6605      94.3   
1 1 1 14 13 39 o 4.833000       1.058000      126.9118      35.3   
1 1 1 14 13 40 o 7.375000       1.127000      381.8756      141.8  
1 1 1 14 13 41 o 3.565000       1.238000      221.6908      78.5   
1 1 1 14 13 42 o 3.456000       1.197000      202.1708      82.2   
1 1 1 14 13 43 o 2.822000       1.074000      240.1047      101.7  
1 1 1 14 13 44 o 13.57000       1.183000      406.0246      -162.0 
1 1 1 14 13 45 o 14.25000       1.202000      406.9138      156.1  
1 1 1 14 13 46 o 4.853000       1.146000      340.4556      45.9   
1 1 1 14 13 47 o 4.767000       1.164000      316.5011      26.2   
1 1 1 14 13 48 o 5.094000       1.181000      234.3846      -159.1 
1 1 1 14 13 49 o -0.5925000     1.290000      83.46262      115.5  
1 1 1 14 13 50 o 3.497000       1.319000      372.6836      172.2  
1 1 1 14 13 51 o 3.428000       1.273000      303.4434      -10.6  
1 1 1 14 13 52 o 1.086000       1.422000      220.2414      -154.6 
1 1 1 14 13 53 o -1.659000      1.785000      104.1217      66.4   
1 1 1 14 13 54 o 2.469000       1.669000      54.43537      -76.2  
1 1 1 14 13 55 o 0.9310000      1.503000      130.1222      -116.0 
1 1 1 14 13 56 o 3.300000       1.451000      137.2439      -86.0  
1 1 1 14 13 57 o 3.540000       1.559000      244.1352      13.5   
1 1 1 14 13 58 o 0.8718000      1.549000      ?             ?      
1 1 1 14 13 59 o 1.893000       1.363000      ?             ?      
1 1 1 14 13 60 o -0.6542000E-01 1.343000      ?             ?      
1 1 1 14 13 61 o 3.199000       1.357000      ?             ?      
1 1 1 14 13 62 o -0.9697000     1.316000      ?             ?      
1 1 1 14 13 63 o 0.3958000      1.308000      ?             ?      
1 1 1 14 13 64 o 0.8111000      1.306000      ?             ?      
1 1 1 14 13 65 o 2.174000       1.315000      ?             ?      
1 1 1 14 13 66 o 2.682000       1.319000      ?             ?      
1 1 1 14 13 67 o 2.371000       1.452000      ?             ?      
1 1 1 14 13 68 o 1.318000       1.562000      ?             ?      
1 1 1 14 13 69 o 1.942000       1.714000      ?             ?      
1 1 1 14 13 70 o 1.021000       1.563000      ?             ?      
1 1 1 14 13 71 o 1.009000       1.697000      ?             ?      
1 1 1 14 13 72 o 1.525000       1.563000      ?             ?      
1 1 1 14 13 73 o -2.066000      1.497000      ?             ?      
1 1 1 14 14 0  o 1.959000       0.5658000     297.1943      -0.0   
1 1 1 14 14 1  o -0.6826000E-02 0.4029000     273.2667      -37.8  
1 1 1 14 14 2  o 9.075000       0.4623000     389.9887      -158.2 
1 1 1 14 14 3  o 21.04000       0.6326000     840.7413      67.9   
1 1 1 14 14 4  o 2.913000       0.4425000     366.8926      -119.2 
1 1 1 14 14 5  o 35.70000       0.9228000     1104.804      -90.8  
1 1 1 14 14 6  o 18.01000       0.9431000     493.3729      -168.8 
1 1 1 14 14 7  o 7.427000       0.7471000     239.7869      110.9  
1 1 1 14 14 8  o 2.717000       0.5830000     257.1180      168.5  
1 1 1 14 14 9  o 10.91000       0.7012000     329.2179      9.2    
1 1 1 14 14 10 o 7.691000       0.7295000     477.9453      -179.3 
1 1 1 14 14 11 o 2.775000       0.6478000     346.4926      -63.6  
1 1 1 14 14 12 o 20.22000       0.7931000     689.8947      -31.6  
1 1 1 14 14 13 o 5.196000       0.6430000     604.8362      64.5   
1 1 1 14 14 14 o 25.56000       1.040000      662.5198      -171.9 
1 1 1 14 14 15 o 33.39000       1.111000      893.7139      12.5   
1 1 1 14 14 16 o 19.26000       0.8995000     801.9588      -6.4   
1 1 1 14 14 17 o 55.82000       1.627000      1001.641      83.2   
1 1 1 14 14 18 o 32.31000       1.108000      827.2121      -163.0 
1 1 1 14 14 19 o 3.319000       0.8374000     294.1125      -57.3  
1 1 1 14 14 20 o 62.63000       1.744000      1102.253      -83.0  
1 1 1 14 14 21 o 31.54000       1.332000      779.6586      140.6  
1 1 1 14 14 22 o 10.07000       1.288000      414.9836      83.6   
1 1 1 14 14 23 o 10.80000       1.145000      474.4506      160.3  
1 1 1 14 14 24 o 19.38000       1.163000      699.3892      -83.0  
1 1 1 14 14 25 o 19.09000       1.184000      927.0593      -132.6 
1 1 1 14 14 26 o 3.622000       0.9905000     295.2094      115.3  
1 1 1 14 14 27 o 17.07000       1.073000      572.3716      77.4   
1 1 1 14 14 28 f 22.33000       1.148000      649.9739      125.0  
1 1 1 14 14 29 o 34.16000       1.300000      633.4237      -142.9 
1 1 1 14 14 30 o 4.688000       0.9942000     123.3332      -107.2 
1 1 1 14 14 31 o 6.390000       1.007000      193.2699      104.4  
1 1 1 14 14 32 o 13.33000       1.063000      538.1546      -105.7 
1 1 1 14 14 33 o 18.23000       1.247000      370.5078      99.8   
1 1 1 14 14 34 o 14.56000       1.292000      489.2616      -117.8 
1 1 1 14 14 35 o 2.068000       1.124000      86.94730      170.7  
1 1 1 14 14 36 o 9.532000       1.208000      402.1145      48.8   
1 1 1 14 14 37 o 21.11000       1.332000      564.3060      129.1  
1 1 1 14 14 38 o 2.382000       1.130000      153.5924      -141.5 
1 1 1 14 14 39 o 36.97000       1.424000      804.8732      -118.4 
1 1 1 14 14 40 o 2.885000       1.149000      122.4607      -94.7  
1 1 1 14 14 41 o 16.60000       1.462000      634.7381      -145.5 
1 1 1 14 14 42 o 2.463000       1.189000      167.7169      127.0  
1 1 1 14 14 43 o 15.48000       1.165000      500.9157      -63.4  
1 1 1 14 14 44 o 1.108000       1.065000      113.2007      -57.5  
1 1 1 14 14 45 o 0.4940000      1.086000      208.7793      131.3  
1 1 1 14 14 46 o 3.615000       1.122000      217.5289      62.1   
1 1 1 14 14 47 o 1.487000       1.132000      141.9067      -35.7  
1 1 1 14 14 48 o 10.34000       1.220000      398.6071      -103.6 
1 1 1 14 14 49 o 2.268000       1.190000      161.3998      34.0   
1 1 1 14 14 50 o 5.720000       1.241000      338.7353      -37.9  
1 1 1 14 14 51 o 8.179000       1.303000      437.1555      -31.3  
1 1 1 14 14 52 o 7.670000       1.459000      429.8255      103.2  
1 1 1 14 14 53 o 4.743000       1.594000      397.6664      -6.4   
1 1 1 14 14 54 o 0.8842000      1.823000      62.50186      1.4    
1 1 1 14 14 55 o 1.663000       1.660000      143.2101      -98.7  
1 1 1 14 14 56 o -0.7690000     1.556000      99.21384      174.1  
1 1 1 14 14 57 o 2.861000       1.707000      ?             ?      
1 1 1 14 14 58 o 0.1546000      1.516000      ?             ?      
1 1 1 14 14 59 o 1.327000       1.341000      ?             ?      
1 1 1 14 14 60 o 4.415000       1.353000      ?             ?      
1 1 1 14 14 61 o 2.708000       1.349000      ?             ?      
1 1 1 14 14 62 o 1.771000       1.309000      ?             ?      
1 1 1 14 14 63 o 2.147000       1.301000      ?             ?      
1 1 1 14 14 64 o 1.671000       1.292000      ?             ?      
1 1 1 14 14 65 o 0.7732000      1.300000      ?             ?      
1 1 1 14 14 66 o -1.753000      1.297000      ?             ?      
1 1 1 14 14 67 o 1.951000       1.329000      ?             ?      
1 1 1 14 14 68 o 5.928000       1.506000      ?             ?      
1 1 1 14 14 69 o -0.4771000     1.713000      ?             ?      
1 1 1 14 14 70 o -0.6496000     1.894000      ?             ?      
1 1 1 14 14 71 o 0.4306000      2.127000      ?             ?      
1 1 1 14 14 72 o 1.209000       1.468000      ?             ?      
1 1 1 14 14 73 o -0.1438000     1.380000      ?             ?      
1 1 1 14 15 0  o 15.17000       0.8142000     188.7243      180.0  
1 1 1 14 15 1  o 6.996000       0.4705000     600.1246      19.0   
1 1 1 14 15 2  o 70.47000       1.770000      1454.024      -101.0 
1 1 1 14 15 3  o 5.197000       0.5560000     360.5918      -178.0 
1 1 1 14 15 4  o 8.920000       0.6050000     740.0859      -105.7 
1 1 1 14 15 5  o 15.68000       0.6864000     532.9693      -57.2  
1 1 1 14 15 6  o 32.53000       1.090000      928.3729      143.2  
1 1 1 14 15 7  o 7.928000       0.6604000     658.5945      -68.3  
1 1 1 14 15 8  o 62.23000       2.132000      1242.970      114.0  
1 1 1 14 15 9  o 19.79000       0.9153000     660.8278      -150.0 
1 1 1 14 15 10 o 64.94000       1.668000      1010.556      53.1   
1 1 1 14 15 11 o 95.93000       2.796000      1418.138      -37.9  
1 1 1 14 15 12 o 73.61000       1.760000      1323.020      -157.6 
1 1 1 14 15 13 o 15.31000       0.7788000     613.6331      -85.9  
1 1 1 14 15 14 o 16.33000       0.7973000     755.0565      -142.5 
1 1 1 14 15 15 o 146.3000       2.926000      1622.752      -142.5 
1 1 1 14 15 16 o 41.96000       1.176000      903.7184      126.6  
1 1 1 14 15 17 o 38.71000       1.199000      731.4056      -38.8  
1 1 1 14 15 18 o 17.42000       0.8983000     746.2208      -33.8  
1 1 1 14 15 19 o 52.73000       1.591000      1029.367      -129.4 
1 1 1 14 15 20 o 45.10000       1.648000      1188.794      54.0   
1 1 1 14 15 21 o 91.65000       2.911000      1685.732      -146.3 
1 1 1 14 15 22 o 32.78000       1.521000      1113.404      3.4    
1 1 1 14 15 23 o 1.859000       1.040000      351.8961      26.0   
1 1 1 14 15 24 o 77.43000       2.024000      1302.346      -65.3  
1 1 1 14 15 25 o 43.14000       1.459000      866.6023      -77.1  
1 1 1 14 15 26 o 22.65000       1.144000      809.9245      -81.0  
1 1 1 14 15 27 o 11.05000       1.026000      325.8747      -167.4 
1 1 1 14 15 28 o 44.30000       1.445000      998.0765      -46.5  
1 1 1 14 15 29 o 3.139000       0.9736000     200.1233      -29.5  
1 1 1 14 15 30 o 12.41000       1.038000      505.2354      -139.5 
1 1 1 14 15 31 o 6.531000       1.004000      507.6103      29.1   
1 1 1 14 15 32 o 7.601000       1.001000      372.0828      -162.0 
1 1 1 14 15 33 o 2.962000       1.091000      324.1452      -99.9  
1 1 1 14 15 34 o 22.31000       1.391000      790.0433      48.8   
1 1 1 14 15 35 o 15.86000       1.210000      647.1389      -31.0  
1 1 1 14 15 36 o 17.98000       1.342000      669.4304      42.9   
1 1 1 14 15 37 o 2.309000       1.264000      67.78895      -162.5 
1 1 1 14 15 38 o 5.330000       1.149000      498.9131      -8.8   
1 1 1 14 15 39 o 45.06000       1.660000      971.5327      32.3   
1 1 1 14 15 40 o 13.54000       1.273000      679.0551      1.4    
1 1 1 14 15 41 o 7.868000       1.223000      498.1439      -53.4  
1 1 1 14 15 42 o 3.418000       1.078000      277.1346      102.4  
1 1 1 14 15 43 o 3.971000       1.085000      399.0501      -116.8 
1 1 1 14 15 44 o 5.288000       1.093000      193.7565      -61.6  
1 1 1 14 15 45 o 10.23000       1.150000      453.0709      106.5  
1 1 1 14 15 46 o 7.371000       1.146000      352.9419      -17.5  
1 1 1 14 15 47 o 15.05000       1.247000      645.7856      -27.4  
1 1 1 14 15 48 o 26.41000       1.381000      584.2737      102.6  
1 1 1 14 15 49 o 2.914000       1.184000      310.5570      106.1  
1 1 1 14 15 50 o 6.383000       1.244000      337.7386      60.9   
1 1 1 14 15 51 o 16.22000       1.383000      617.5344      1.1    
1 1 1 14 15 52 o 14.94000       1.564000      636.5721      129.1  
1 1 1 14 15 53 o 1.198000       1.587000      287.1408      -9.0   
1 1 1 14 15 54 o 7.191000       1.869000      411.9475      2.9    
1 1 1 14 15 55 o 0.4695000      1.656000      249.9173      -95.2  
1 1 1 14 15 56 o 4.773000       1.755000      232.6599      -63.7  
1 1 1 14 15 57 o 2.872000       1.550000      ?             ?      
1 1 1 14 15 58 o 1.177000       1.343000      ?             ?      
1 1 1 14 15 59 o 6.063000       1.361000      ?             ?      
1 1 1 14 15 60 o 4.139000       1.353000      ?             ?      
1 1 1 14 15 61 o 1.431000       1.333000      ?             ?      
1 1 1 14 15 62 o -0.9450000     1.291000      ?             ?      
1 1 1 14 15 63 o -0.2100000     1.287000      ?             ?      
1 1 1 14 15 64 o 3.806000       1.324000      ?             ?      
1 1 1 14 15 65 o 1.024000       1.293000      ?             ?      
1 1 1 14 15 66 o 5.236000       1.346000      ?             ?      
1 1 1 14 15 67 o 1.996000       1.461000      ?             ?      
1 1 1 14 15 68 o 2.873000       1.489000      ?             ?      
1 1 1 14 15 69 o 2.517000       1.749000      ?             ?      
1 1 1 14 15 70 o 5.394000       2.282000      ?             ?      
1 1 1 14 15 71 o -0.9889000     2.218000      ?             ?      
1 1 1 14 15 72 f -0.3635000     1.379000      ?             ?      
1 1 1 14 16 0  o 86.76000       2.399000      1451.243      0.0    
1 1 1 14 16 1  o 32.80000       1.838000      1183.663      61.4   
1 1 1 14 16 2  o 6.737000       0.5562000     570.6525      65.3   
1 1 1 14 16 3  o 129.6000       2.585000      1697.074      36.4   
1 1 1 14 16 4  o 54.27000       1.229000      1211.761      -131.8 
1 1 1 14 16 5  o 25.57000       0.9350000     714.2180      -103.9 
1 1 1 14 16 6  o 44.75000       1.526000      951.7353      171.0  
1 1 1 14 16 7  f 151.8000       3.166000      1589.722      -146.9 
1 1 1 14 16 8  o 209.9000       4.596000      1868.278      -108.8 
1 1 1 14 16 9  o 92.12000       2.062000      1466.437      162.2  
1 1 1 14 16 10 o 117.2000       3.067000      1649.676      50.1   
1 1 1 14 16 11 o 20.00000       0.9884000     761.0293      -43.3  
1 1 1 14 16 12 o 69.53000       1.639000      986.4365      28.9   
1 1 1 14 16 13 o 0.3013000      0.6725000     220.7065      91.5   
1 1 1 14 16 14 o 23.42000       0.9046000     791.8401      -75.2  
1 1 1 14 16 15 o 660.0000       13.05000      3334.541      24.1   
1 1 1 14 16 16 o 19.68000       1.133000      741.2469      9.0    
1 1 1 14 16 17 o 46.24000       1.465000      1085.261      143.6  
1 1 1 14 16 18 o 11.86000       0.8651000     509.0775      -152.5 
1 1 1 14 16 19 o 56.39000       1.841000      1052.237      71.3   
1 1 1 14 16 20 o 22.14000       1.467000      603.6927      -123.2 
1 1 1 14 16 21 o 97.42000       3.078000      1477.986      162.9  
1 1 1 14 16 22 o 11.25000       1.167000      373.5663      -54.5  
1 1 1 14 16 23 o 28.15000       1.261000      519.4792      -19.7  
1 1 1 14 16 24 o 1.856000       1.025000      346.6585      47.4   
1 1 1 14 16 25 o 15.87000       1.055000      198.9362      127.2  
1 1 1 14 16 26 o 20.00000       1.093000      329.4809      -115.1 
1 1 1 14 16 27 o 13.66000       1.029000      464.7803      137.8  
1 1 1 14 16 28 o 12.46000       1.045000      268.9291      26.7   
1 1 1 14 16 29 o 25.50000       1.163000      768.1890      -63.8  
1 1 1 14 16 30 o 2.790000       0.9624000     291.9096      -59.6  
1 1 1 14 16 31 o 9.152000       0.9923000     508.8022      -34.1  
1 1 1 14 16 32 o 24.09000       1.152000      635.6019      120.8  
1 1 1 14 16 33 o 12.29000       1.055000      550.2505      1.3    
1 1 1 14 16 34 o 20.76000       1.262000      632.4369      -162.6 
1 1 1 14 16 35 o 2.524000       1.185000      77.87013      38.0   
1 1 1 14 16 36 o 27.23000       1.383000      680.6389      141.7  
1 1 1 14 16 37 o 16.48000       1.286000      667.5815      123.7  
1 1 1 14 16 38 o 7.193000       1.296000      366.2383      -81.6  
1 1 1 14 16 39 o 20.99000       1.493000      674.7933      120.6  
1 1 1 14 16 40 o 26.42000       1.637000      704.0679      94.6   
1 1 1 14 16 41 o 4.443000       1.193000      295.2997      172.1  
1 1 1 14 16 42 o 40.80000       1.496000      973.1931      40.1   
1 1 1 14 16 43 o 30.83000       1.377000      929.3826      -116.6 
1 1 1 14 16 44 o 2.867000       1.084000      208.8687      -165.2 
1 1 1 14 16 45 o 9.794000       1.156000      440.8153      171.7  
1 1 1 14 16 46 o 6.717000       1.147000      451.8322      80.0   
1 1 1 14 16 47 o 5.152000       1.156000      321.5309      -58.2  
1 1 1 14 16 48 o 19.70000       1.328000      663.8229      -124.7 
1 1 1 14 16 49 o 3.866000       1.197000      360.7744      129.7  
1 1 1 14 16 50 o -0.1918000     1.218000      77.71542      55.4   
1 1 1 14 16 51 o 2.861000       1.266000      190.5626      -121.4 
1 1 1 14 16 52 o 17.64000       1.437000      573.5326      114.2  
1 1 1 14 16 53 o 8.416000       1.531000      446.3322      -73.4  
1 1 1 14 16 54 o 5.760000       1.858000      157.4296      113.8  
1 1 1 14 16 55 o 0.2584000      2.250000      126.0115      152.1  
1 1 1 14 16 56 o 1.313000       2.538000      162.7147      -25.2  
1 1 1 14 16 57 o 2.228000       1.521000      ?             ?      
1 1 1 14 16 58 o 2.567000       1.329000      ?             ?      
1 1 1 14 16 59 o 6.856000       1.350000      ?             ?      
1 1 1 14 16 60 o 12.19000       1.394000      ?             ?      
1 1 1 14 16 61 o 6.096000       1.333000      ?             ?      
1 1 1 14 16 62 o 2.870000       1.308000      ?             ?      
1 1 1 14 16 63 o 6.737000       1.337000      ?             ?      
1 1 1 14 16 64 o 0.9121000      1.294000      ?             ?      
1 1 1 14 16 65 o 6.936000       1.345000      ?             ?      
1 1 1 14 16 66 o 1.234000       1.330000      ?             ?      
1 1 1 14 16 67 o -1.220000      1.305000      ?             ?      
1 1 1 14 16 68 o 4.065000       1.376000      ?             ?      
1 1 1 14 16 69 o 3.831000       1.739000      ?             ?      
1 1 1 14 16 70 o 2.930000       2.558000      ?             ?      
1 1 1 14 16 71 o -0.1165000     1.962000      ?             ?      
1 1 1 14 16 72 o 3.490000       1.511000      ?             ?      
1 1 1 14 17 0  o 140.2000       4.719000      1168.983      -180.0 
1 1 1 14 17 1  o 135.1000       3.565000      1596.067      168.1  
1 1 1 14 17 2  o 170.8000       4.205000      1777.716      -166.0 
1 1 1 14 17 3  o 1.040000       0.5421000     232.4554      -59.1  
1 1 1 14 17 4  o 41.54000       1.365000      950.9857      174.6  
1 1 1 14 17 5  o 83.14000       1.742000      1252.597      -120.2 
1 1 1 14 17 6  o 31.02000       0.9274000     1155.109      -71.5  
1 1 1 14 17 7  o 82.02000       2.241000      1449.740      -108.9 
1 1 1 14 17 8  o 92.28000       2.680000      1454.953      115.2  
1 1 1 14 17 9  o 16.05000       0.7904000     539.1226      -63.1  
1 1 1 14 17 10 o 14.46000       0.8028000     599.1616      160.3  
1 1 1 14 17 11 o 25.78000       1.364000      657.8914      119.2  
1 1 1 14 17 12 o 17.58000       0.9615000     665.5998      124.9  
1 1 1 14 17 13 o 24.18000       0.9174000     751.7793      -5.0   
1 1 1 14 17 14 o 14.44000       1.072000      366.7513      161.5  
1 1 1 14 17 15 o 76.65000       2.043000      1195.044      -150.8 
1 1 1 14 17 16 o 388.0000       7.383000      2739.107      108.5  
1 1 1 14 17 17 o 121.9000       2.557000      1503.288      -113.4 
1 1 1 14 17 18 o 146.2000       3.229000      1659.271      -159.0 
1 1 1 14 17 19 o 135.1000       3.176000      1622.135      -145.4 
1 1 1 14 17 20 o 53.64000       2.061000      1173.912      -11.3  
1 1 1 14 17 21 o 68.91000       2.255000      1363.636      -88.3  
1 1 1 14 17 22 o 134.0000       3.215000      1721.967      49.7   
1 1 1 14 17 23 o 10.58000       1.057000      461.7319      126.9  
1 1 1 14 17 24 o 282.1000       5.782000      2561.015      -48.9  
1 1 1 14 17 25 o 6.275000       0.9846000     271.5412      56.3   
1 1 1 14 17 26 o 77.65000       1.957000      1406.342      -31.0  
1 1 1 14 17 27 o 31.31000       1.228000      502.2474      48.8   
1 1 1 14 17 28 o 64.77000       1.761000      1190.080      37.7   
1 1 1 14 17 29 o 72.01000       1.886000      1231.086      106.6  
1 1 1 14 17 30 o 24.68000       1.194000      848.7415      -102.8 
1 1 1 14 17 31 o 15.97000       1.049000      556.2202      -6.7   
1 1 1 14 17 32 o 27.20000       1.187000      573.7758      -6.8   
1 1 1 14 17 33 o -0.1712000     0.9636000     213.3384      -13.6  
1 1 1 14 17 34 o 24.90000       1.304000      710.8947      -16.7  
1 1 1 14 17 35 o 58.16000       1.969000      1020.510      -18.0  
1 1 1 14 17 36 o 4.662000       1.126000      107.7535      135.1  
1 1 1 14 17 37 o 11.03000       1.252000      484.4554      -135.0 
1 1 1 14 17 38 o 1.480000       1.342000      170.2236      -160.8 
1 1 1 14 17 39 o 11.65000       1.477000      667.8463      83.1   
1 1 1 14 17 40 o 29.07000       1.490000      810.2977      -114.6 
1 1 1 14 17 41 o 4.544000       1.078000      438.1006      69.4   
1 1 1 14 17 42 o 25.50000       1.291000      664.3344      -44.1  
1 1 1 14 17 43 o 2.042000       1.078000      249.8297      131.0  
1 1 1 14 17 44 o 46.58000       1.608000      944.0292      -33.2  
1 1 1 14 17 45 o 5.554000       1.133000      251.0749      156.1  
1 1 1 14 17 46 o 28.94000       1.389000      786.9928      -32.4  
1 1 1 14 17 47 o 16.18000       1.259000      569.6823      -1.6   
1 1 1 14 17 48 o 21.15000       1.335000      678.7596      125.3  
1 1 1 14 17 49 o 2.633000       1.208000      165.7102      -32.1  
1 1 1 14 17 50 o 31.87000       1.520000      702.6362      14.9   
1 1 1 14 17 51 o 0.1882000      1.281000      192.4595      112.7  
1 1 1 14 17 52 o 9.096000       1.356000      460.5830      123.3  
1 1 1 14 17 53 o 5.002000       1.489000      345.2247      -33.0  
1 1 1 14 17 54 o 8.102000       1.644000      396.8500      76.3   
1 1 1 14 17 55 o 2.907000       2.267000      282.7542      -156.8 
1 1 1 14 17 56 o 2.766000       1.928000      ?             ?      
1 1 1 14 17 57 o -0.8488000     1.410000      ?             ?      
1 1 1 14 17 58 o 7.903000       1.328000      ?             ?      
1 1 1 14 17 59 o -2.656000      1.271000      ?             ?      
1 1 1 14 17 60 o -0.3110000     1.294000      ?             ?      
1 1 1 14 17 61 o 9.055000       1.345000      ?             ?      
1 1 1 14 17 62 o 7.499000       1.335000      ?             ?      
1 1 1 14 17 63 o 1.378000       1.284000      ?             ?      
1 1 1 14 17 64 o 1.408000       1.300000      ?             ?      
1 1 1 14 17 65 o 2.483000       1.307000      ?             ?      
1 1 1 14 17 66 o 0.8240000      1.304000      ?             ?      
1 1 1 14 17 67 o 2.336000       1.332000      ?             ?      
1 1 1 14 17 68 o 1.255000       1.353000      ?             ?      
1 1 1 14 17 69 o 0.9011000      1.716000      ?             ?      
1 1 1 14 17 70 o 1.257000       1.759000      ?             ?      
1 1 1 14 17 71 o -1.971000      1.715000      ?             ?      
1 1 1 14 17 72 o 3.135000       1.530000      ?             ?      
1 1 1 14 18 0  o -0.6175000     0.7901000     243.7781      180.0  
1 1 1 14 18 1  o 104.9000       2.419000      1383.509      -46.3  
1 1 1 14 18 2  o 32.15000       1.049000      968.0510      -15.3  
1 1 1 14 18 3  o 21.72000       0.7447000     673.3994      -71.3  
1 1 1 14 18 4  o 161.7000       3.839000      1793.998      -71.3  
1 1 1 14 18 5  o 16.43000       0.9734000     462.3427      111.9  
1 1 1 14 18 6  o 167.6000       3.759000      1781.099      -68.4  
1 1 1 14 18 7  o 499.4000       9.093000      2927.343      -156.5 
1 1 1 14 18 8  o 32.33000       1.093000      819.5417      -70.3  
1 1 1 14 18 9  o 24.27000       1.072000      946.4047      115.7  
1 1 1 14 18 10 o 98.01000       2.407000      1254.475      -109.4 
1 1 1 14 18 11 o 94.17000       2.645000      1342.704      113.5  
1 1 1 14 18 12 o 70.57000       1.777000      1072.368      60.4   
1 1 1 14 18 13 o 59.61000       1.650000      1114.004      -149.6 
1 1 1 14 18 14 o 17.98000       0.9237000     626.5098      -1.0   
1 1 1 14 18 15 o 68.56000       1.784000      1565.016      -47.1  
1 1 1 14 18 16 o 76.34000       1.809000      809.0198      -157.9 
1 1 1 14 18 17 o 16.51000       1.231000      572.1699      -101.4 
1 1 1 14 18 18 o 145.1000       3.361000      1471.094      36.3   
1 1 1 14 18 19 o 307.8000       7.216000      2536.010      89.0   
1 1 1 14 18 20 o 5.631000       1.095000      481.6216      121.7  
1 1 1 14 18 21 o 108.7000       3.177000      1526.019      147.2  
1 1 1 14 18 22 o 46.94000       1.582000      863.0572      162.4  
1 1 1 14 18 23 o 88.88000       2.185000      1245.239      54.1   
1 1 1 14 18 24 o 34.74000       1.308000      538.1999      49.6   
1 1 1 14 18 25 f 115.1000       2.626000      1362.803      68.5   
1 1 1 14 18 26 o 66.22000       1.763000      1260.443      88.4   
1 1 1 14 18 27 o 50.43000       1.503000      1153.057      83.4   
1 1 1 14 18 28 o 87.62000       2.135000      1175.002      -163.0 
1 1 1 14 18 29 o 7.385000       1.017000      230.6051      -117.7 
1 1 1 14 18 30 o 9.060000       0.9726000     496.5198      158.4  
1 1 1 14 18 31 o 156.4000       3.393000      1942.042      -3.9   
1 1 1 14 18 32 o 64.78000       1.755000      1224.994      87.8   
1 1 1 14 18 33 o 8.704000       0.9920000     397.3223      -99.3  
1 1 1 14 18 34 o 2.614000       0.9941000     179.8810      121.1  
1 1 1 14 18 35 o 14.35000       1.212000      502.3633      53.0   
1 1 1 14 18 36 o 37.71000       1.637000      974.8355      169.0  
1 1 1 14 18 37 o 46.53000       1.672000      1036.294      -37.3  
1 1 1 14 18 38 o 24.95000       1.565000      343.6172      -157.1 
1 1 1 14 18 39 o 14.33000       1.910000      407.0246      63.4   
1 1 1 14 18 40 o 30.90000       1.702000      730.0793      143.0  
1 1 1 14 18 41 o 88.01000       2.265000      1255.520      -17.0  
1 1 1 14 18 42 o 14.70000       1.178000      417.7698      79.8   
1 1 1 14 18 43 o 25.49000       1.297000      718.1661      88.6   
1 1 1 14 18 44 o 27.64000       1.355000      645.3049      162.8  
1 1 1 14 18 45 o 25.02000       1.317000      690.6092      58.4   
1 1 1 14 18 46 o 4.003000       1.144000      261.5952      -11.4  
1 1 1 14 18 47 o 15.00000       1.256000      450.6798      -167.4 
1 1 1 14 18 48 o 4.222000       1.197000      329.6668      117.6  
1 1 1 14 18 49 o 26.51000       1.432000      717.8064      154.5  
1 1 1 14 18 50 o 3.858000       1.263000      108.3686      172.6  
1 1 1 14 18 51 o 13.18000       1.374000      582.8250      177.9  
1 1 1 14 18 52 o 1.236000       1.308000      63.52380      -172.1 
1 1 1 14 18 53 o 15.07000       1.412000      534.4546      -106.5 
1 1 1 14 18 54 o 5.173000       1.665000      348.1643      33.4   
1 1 1 14 18 55 o 7.504000       2.061000      458.1919      62.5   
1 1 1 14 18 56 o 3.397000       1.718000      ?             ?      
1 1 1 14 18 57 o 7.210000       1.571000      ?             ?      
1 1 1 14 18 58 o 2.513000       1.290000      ?             ?      
1 1 1 14 18 59 o 4.423000       1.288000      ?             ?      
1 1 1 14 18 60 o 8.472000       1.311000      ?             ?      
1 1 1 14 18 61 o 2.125000       1.272000      ?             ?      
1 1 1 14 18 62 o 2.101000       1.271000      ?             ?      
1 1 1 14 18 63 o -2.020000      1.265000      ?             ?      
1 1 1 14 18 64 o 3.437000       1.295000      ?             ?      
1 1 1 14 18 65 o 3.681000       1.308000      ?             ?      
1 1 1 14 18 66 o 3.542000       1.323000      ?             ?      
1 1 1 14 18 67 o 2.847000       1.342000      ?             ?      
1 1 1 14 18 68 o 4.934000       1.524000      ?             ?      
1 1 1 14 18 69 o 2.729000       2.185000      ?             ?      
1 1 1 14 18 70 o 5.865000       2.015000      ?             ?      
1 1 1 14 18 71 o -0.9979000     1.701000      ?             ?      
1 1 1 14 19 0  o -0.2888000     0.7710000     188.8319      0.0    
1 1 1 14 19 1  o 186.4000       4.070000      1635.399      125.1  
1 1 1 14 19 2  o 325.4000       7.676000      2442.784      3.3    
1 1 1 14 19 3  o 216.0000       5.757000      2082.157      -164.4 
1 1 1 14 19 4  o 18.35000       0.9016000     614.9967      61.9   
1 1 1 14 19 5  o 31.25000       0.9432000     675.6950      -9.1   
1 1 1 14 19 6  o 42.91000       1.382000      1178.531      -89.6  
1 1 1 14 19 7  o 60.62000       1.519000      1030.370      99.3   
1 1 1 14 19 8  o 260.9000       5.323000      2286.859      15.3   
1 1 1 14 19 9  o 48.12000       1.647000      1007.008      -142.3 
1 1 1 14 19 10 o 23.63000       1.162000      753.2827      43.7   
1 1 1 14 19 11 o 30.18000       1.187000      1014.535      0.7    
1 1 1 14 19 12 o 343.1000       6.582000      2771.638      -168.3 
1 1 1 14 19 13 o 12.87000       1.049000      681.6168      -35.0  
1 1 1 14 19 14 o 85.16000       1.924000      1212.756      -31.1  
1 1 1 14 19 15 o 18.49000       1.213000      622.4927      143.8  
1 1 1 14 19 16 o 39.73000       1.427000      357.4934      56.3   
1 1 1 14 19 17 o 664.1000       14.15000      2839.998      -150.5 
1 1 1 14 19 18 o 19.87000       1.483000      649.2317      -142.9 
1 1 1 14 19 19 o 21.24000       1.245000      599.9279      -144.6 
1 1 1 14 19 20 o 16.76000       1.365000      411.0056      -35.0  
1 1 1 14 19 21 o 86.49000       2.206000      1752.732      179.7  
1 1 1 14 19 22 o 36.76000       1.299000      1011.823      132.1  
1 1 1 14 19 23 o 19.95000       1.118000      429.2961      141.1  
1 1 1 14 19 24 o 32.62000       1.318000      453.8573      129.9  
1 1 1 14 19 25 o 109.9000       2.521000      1008.421      84.8   
1 1 1 14 19 26 o 1.638000       0.9387000     281.4732      146.9  
1 1 1 14 19 27 o 40.53000       1.503000      742.5090      167.6  
1 1 1 14 19 28 o 24.77000       1.119000      610.8029      20.3   
1 1 1 14 19 29 o 48.92000       1.461000      936.4976      55.4   
1 1 1 14 19 30 o 12.98000       1.000000      669.9866      -170.2 
1 1 1 14 19 31 o 28.20000       1.181000      742.1445      151.0  
1 1 1 14 19 32 o 27.29000       1.184000      766.2801      47.5   
1 1 1 14 19 33 o 4.309000       0.9575000     289.3803      -12.1  
1 1 1 14 19 34 o 9.019000       0.9951000     480.1242      -131.8 
1 1 1 14 19 35 o 24.03000       1.294000      707.6437      -5.3   
1 1 1 14 19 36 o 60.37000       2.047000      1142.403      163.6  
1 1 1 14 19 37 o 1.831000       1.154000      142.0155      132.5  
1 1 1 14 19 38 o -0.8349000     1.589000      117.9132      67.9   
1 1 1 14 19 39 o 6.300000       1.579000      448.0423      122.5  
1 1 1 14 19 40 o 37.79000       1.616000      923.5594      90.8   
1 1 1 14 19 41 o -0.3664000     1.083000      110.8879      -55.9  
1 1 1 14 19 42 o 3.471000       1.095000      180.0166      167.4  
1 1 1 14 19 43 o 13.09000       1.177000      612.2823      -168.6 
1 1 1 14 19 44 o 12.63000       1.178000      527.1022      -10.6  
1 1 1 14 19 45 o 4.283000       1.144000      240.2333      22.9   
1 1 1 14 19 46 o 24.65000       1.367000      707.2325      -124.6 
1 1 1 14 19 47 o 5.831000       1.194000      422.9727      137.3  
1 1 1 14 19 48 o 13.58000       1.264000      531.9378      -151.7 
1 1 1 14 19 49 o 3.802000       1.234000      216.7774      103.5  
1 1 1 14 19 50 o 4.592000       1.279000      184.3123      -44.9  
1 1 1 14 19 51 o 24.27000       1.478000      582.5638      131.0  
1 1 1 14 19 52 o 5.367000       1.326000      262.2593      -52.1  
1 1 1 14 19 53 o 8.991000       1.362000      383.2588      141.8  
1 1 1 14 19 54 o 0.3457000      1.629000      199.2808      58.5   
1 1 1 14 19 55 o 0.6963000      1.798000      ?             ?      
1 1 1 14 19 56 o 7.928000       1.759000      ?             ?      
1 1 1 14 19 57 o 1.137000       1.499000      ?             ?      
1 1 1 14 19 58 o 7.503000       1.412000      ?             ?      
1 1 1 14 19 59 o 2.096000       1.259000      ?             ?      
1 1 1 14 19 60 o 0.5786000      1.250000      ?             ?      
1 1 1 14 19 61 o 0.4557000      1.262000      ?             ?      
1 1 1 14 19 62 o -0.4237000     1.251000      ?             ?      
1 1 1 14 19 63 o 1.386000       1.254000      ?             ?      
1 1 1 14 19 64 o 4.425000       1.294000      ?             ?      
1 1 1 14 19 65 o 4.630000       1.298000      ?             ?      
1 1 1 14 19 66 o 9.611000       1.362000      ?             ?      
1 1 1 14 19 67 o -1.003000      1.306000      ?             ?      
1 1 1 14 19 68 o 0.2595000E-01  1.489000      ?             ?      
1 1 1 14 19 70 o 1.221000       1.778000      ?             ?      
1 1 1 14 19 71 o 0.3394000      1.619000      ?             ?      
1 1 1 14 20 0  o 3.801000       1.136000      336.8195      -0.0   
1 1 1 14 20 1  o 28.56000       1.013000      520.3388      -101.2 
1 1 1 14 20 2  o 344.2000       6.530000      2504.159      -81.2  
1 1 1 14 20 3  o 115.7000       2.671000      1748.055      -132.7 
1 1 1 14 20 4  o 230.2000       4.828000      1840.585      -73.4  
1 1 1 14 20 5  o 180.9000       3.852000      1591.484      137.9  
1 1 1 14 20 6  o 367.3000       7.503000      2492.531      -147.5 
1 1 1 14 20 7  o 182.5000       3.779000      2045.430      155.3  
1 1 1 14 20 8  o 308.5000       6.187000      2324.874      -13.1  
1 1 1 14 20 9  o 89.80000       2.314000      1205.819      143.8  
1 1 1 14 20 10 o 67.62000       1.980000      1262.848      179.7  
1 1 1 14 20 11 o 108.6000       2.984000      1224.626      85.9   
1 1 1 14 20 12 o 37.79000       1.316000      830.8818      -59.7  
1 1 1 14 20 13 o 117.5000       3.029000      1733.551      -101.3 
1 1 1 14 20 14 o 71.14000       2.182000      1152.696      69.0   
1 1 1 14 20 15 o 43.64000       1.376000      856.1101      -21.8  
1 1 1 14 20 16 o 140.0000       3.166000      1206.638      118.0  
1 1 1 14 20 17 o 59.36000       1.878000      1148.287      -108.8 
1 1 1 14 20 18 o 4.218000       1.104000      95.60783      68.8   
1 1 1 14 20 19 o 95.62000       3.151000      1533.337      68.3   
1 1 1 14 20 20 o 67.94000       1.912000      1502.054      -123.8 
1 1 1 14 20 21 o 61.15000       1.904000      1412.676      131.9  
1 1 1 14 20 22 o 13.76000       1.023000      640.3901      -145.9 
1 1 1 14 20 23 o 11.27000       0.9800000     488.3151      -33.4  
1 1 1 14 20 24 o 25.84000       1.153000      603.3785      170.2  
1 1 1 14 20 25 o 106.3000       2.458000      1450.353      107.7  
1 1 1 14 20 26 o 70.41000       1.823000      1284.828      60.5   
1 1 1 14 20 27 o 6.020000       0.9313000     221.3604      -66.9  
1 1 1 14 20 28 o 27.68000       1.151000      874.1412      -178.0 
1 1 1 14 20 29 o 7.337000       0.9217000     534.2455      -176.4 
1 1 1 14 20 30 o 16.61000       1.009000      633.3401      139.7  
1 1 1 14 20 31 o 69.11000       1.825000      1047.241      -61.5  
1 1 1 14 20 32 o 16.70000       1.056000      534.3921      88.2   
1 1 1 14 20 33 o 30.78000       1.235000      738.9706      -59.3  
1 1 1 14 20 34 o 4.913000       0.9694000     365.3534      71.0   
1 1 1 14 20 35 o 5.273000       1.088000      479.0700      -76.5  
1 1 1 14 20 36 o 5.080000       1.131000      463.8781      98.7   
1 1 1 14 20 37 o 22.91000       1.632000      899.2872      -65.8  
1 1 1 14 20 38 o 15.33000       1.889000      660.5351      167.5  
1 1 1 14 20 39 o 34.64000       1.810000      994.1428      168.3  
1 1 1 14 20 40 o 21.33000       1.496000      673.7772      -40.6  
1 1 1 14 20 41 o 95.38000       2.619000      1292.214      -6.8   
1 1 1 14 20 42 o 20.03000       1.239000      836.6086      94.1   
1 1 1 14 20 43 o 23.68000       1.292000      801.7028      75.7   
1 1 1 14 20 44 o 7.428000       1.156000      301.8293      -118.1 
1 1 1 14 20 45 o 1.014000       1.148000      31.09147      96.1   
1 1 1 14 20 46 o 27.28000       1.411000      773.3303      175.5  
1 1 1 14 20 47 o 2.120000       1.184000      72.09966      -19.9  
1 1 1 14 20 48 o 4.617000       1.222000      233.3275      -124.8 
1 1 1 14 20 49 o 19.73000       1.393000      448.7353      -57.6  
1 1 1 14 20 50 o 11.70000       1.351000      428.5901      -40.2  
1 1 1 14 20 51 o 11.08000       1.352000      368.7442      -159.9 
1 1 1 14 20 52 o 22.48000       1.483000      651.3263      130.1  
1 1 1 14 20 53 o 1.138000       1.443000      286.7382      28.4   
1 1 1 14 20 54 o 3.612000       1.692000      298.2987      22.0   
1 1 1 14 20 55 o 6.296000       1.643000      ?             ?      
1 1 1 14 20 56 o 5.156000       1.420000      ?             ?      
1 1 1 14 20 57 o -0.8448000     1.390000      ?             ?      
1 1 1 14 20 58 o -1.320000      1.480000      ?             ?      
1 1 1 14 20 59 o 1.287000       1.452000      ?             ?      
1 1 1 14 20 60 o 7.021000       1.273000      ?             ?      
1 1 1 14 20 61 o 1.853000       1.241000      ?             ?      
1 1 1 14 20 62 o 3.620000       1.262000      ?             ?      
1 1 1 14 20 63 o 0.7037000      1.268000      ?             ?      
1 1 1 14 20 64 o 5.329000       1.286000      ?             ?      
1 1 1 14 20 65 o -1.034000      1.256000      ?             ?      
1 1 1 14 20 66 o -0.3935000E-01 1.273000      ?             ?      
1 1 1 14 20 68 o 2.662000       1.782000      ?             ?      
1 1 1 14 20 69 o 4.927000       1.740000      ?             ?      
1 1 1 14 20 70 o 5.145000       1.634000      ?             ?      
1 1 1 14 20 71 o 1.227000       2.278000      ?             ?      
1 1 1 14 21 0  o 394.0000       9.973000      2154.386      -0.0   
1 1 1 14 21 1  o 65.88000       1.786000      1220.499      24.5   
1 1 1 14 21 2  o 288.5000       5.767000      2287.812      -49.0  
1 1 1 14 21 3  o 34.11000       1.216000      590.5533      9.5    
1 1 1 14 21 4  o 242.0000       4.897000      1976.802      -9.8   
1 1 1 14 21 5  o 21.43000       1.329000      576.9136      36.1   
1 1 1 14 21 6  o 105.5000       2.977000      1628.715      -93.7  
1 1 1 14 21 7  o 13.75000       1.262000      491.4510      128.4  
1 1 1 14 21 8  o -0.1487000     0.9256000     237.0919      -60.0  
1 1 1 14 21 9  o 60.53000       1.819000      990.8740      170.5  
1 1 1 14 21 10 o 19.02000       1.716000      611.1183      119.9  
1 1 1 14 21 11 o 4.767000       1.053000      779.0720      -116.2 
1 1 1 14 21 12 o 53.33000       2.011000      1305.581      173.9  
1 1 1 14 21 13 o 7.280000       1.120000      712.6408      161.0  
1 1 1 14 21 14 o 53.04000       1.898000      957.5444      4.7    
1 1 1 14 21 15 o 9.998000       1.163000      745.1852      -157.5 
1 1 1 14 21 16 o 63.64000       2.293000      1200.055      -55.7  
1 1 1 14 21 17 o 10.89000       1.564000      515.5929      -30.3  
1 1 1 14 21 18 o 38.44000       1.552000      807.0005      -143.3 
1 1 1 14 21 19 o 48.54000       1.746000      1000.384      80.7   
1 1 1 14 21 20 o 21.88000       1.295000      777.8472      -21.7  
1 1 1 14 21 21 o 32.80000       1.261000      894.4403      -122.2 
1 1 1 14 21 22 o 48.15000       1.479000      790.4807      -153.3 
1 1 1 14 21 23 o 21.77000       1.071000      634.9858      -51.3  
1 1 1 14 21 24 o 64.94000       1.722000      1040.825      -1.4   
1 1 1 14 21 25 o 27.21000       1.170000      806.9508      150.0  
1 1 1 14 21 26 o 84.41000       2.073000      1375.121      165.1  
1 1 1 14 21 27 o 19.74000       1.043000      958.2425      -106.8 
1 1 1 14 21 28 o 57.49000       1.596000      1013.543      17.6   
1 1 1 14 21 29 o 2.868000       0.8986000     404.9212      -129.4 
1 1 1 14 21 30 o 6.910000       0.9273000     465.6302      -141.4 
1 1 1 14 21 31 o 51.61000       1.533000      1039.369      80.7   
1 1 1 14 21 32 o 51.85000       1.530000      951.0172      16.3   
1 1 1 14 21 33 o 11.98000       1.009000      434.4883      58.4   
1 1 1 14 21 34 o 40.97000       1.392000      769.9485      -177.0 
1 1 1 14 21 35 o 8.701000       1.008000      376.9419      170.2  
1 1 1 14 21 36 o 18.25000       1.346000      497.2744      133.2  
1 1 1 14 21 37 o 11.61000       1.645000      366.6106      -59.1  
1 1 1 14 21 38 o 22.48000       1.902000      672.8257      100.3  
1 1 1 14 21 39 o 29.78000       1.488000      803.6868      110.0  
1 1 1 14 21 40 o 24.39000       1.436000      561.1549      171.9  
1 1 1 14 21 41 o 24.87000       1.460000      726.6562      101.0  
1 1 1 14 21 42 o 2.022000       1.114000      127.0435      -58.8  
1 1 1 14 21 43 o 3.642000       1.117000      321.3739      -131.4 
1 1 1 14 21 44 o 3.967000       1.139000      56.20858      117.3  
1 1 1 14 21 45 o 99.13000       2.529000      ?             ?      
1 1 1 14 21 46 o 5.775000       1.215000      439.0500      -166.7 
1 1 1 14 21 47 o 9.485000       1.253000      543.7234      -16.6  
1 1 1 14 21 48 o 32.97000       1.530000      833.5532      104.3  
1 1 1 14 21 49 o 27.66000       1.497000      718.1422      102.2  
1 1 1 14 21 50 o 6.565000       1.310000      286.4603      -148.9 
1 1 1 14 21 51 o 2.637000       1.301000      190.7086      132.5  
1 1 1 14 21 52 o 8.472000       1.355000      394.6396      -14.2  
1 1 1 14 21 53 o 19.74000       1.623000      669.5704      143.3  
1 1 1 14 21 54 o 19.47000       1.617000      602.2277      -13.3  
1 1 1 14 21 55 o 5.494000       1.447000      ?             ?      
1 1 1 14 21 56 o 2.192000       1.512000      ?             ?      
1 1 1 14 21 57 o -0.6867000     1.643000      ?             ?      
1 1 1 14 21 58 o 5.284000       1.512000      ?             ?      
1 1 1 14 21 59 o 5.574000       1.378000      ?             ?      
1 1 1 14 21 60 o -0.9307000E-01 1.230000      ?             ?      
1 1 1 14 21 61 o 13.30000       1.336000      ?             ?      
1 1 1 14 21 62 o 0.5164000      1.249000      ?             ?      
1 1 1 14 21 63 o 12.27000       1.356000      ?             ?      
1 1 1 14 21 64 o 11.03000       1.332000      ?             ?      
1 1 1 14 21 65 o 1.197000       1.242000      ?             ?      
1 1 1 14 21 66 o 1.484000       1.276000      ?             ?      
1 1 1 14 21 67 o -0.6625000     1.607000      ?             ?      
1 1 1 14 21 68 o 5.091000       1.742000      ?             ?      
1 1 1 14 21 69 o 0.1678000      1.456000      ?             ?      
1 1 1 14 21 70 o -0.1063000     1.470000      ?             ?      
1 1 1 14 22 0  o 20.00000       1.250000      1201.057      180.0  
1 1 1 14 22 1  o 27.53000       0.9728000     933.5308      153.2  
1 1 1 14 22 2  o 27.17000       1.122000      676.0764      131.5  
1 1 1 14 22 3  o 48.77000       1.281000      1112.109      -74.2  
1 1 1 14 22 4  o 79.42000       1.834000      1248.759      -78.9  
1 1 1 14 22 5  o 64.43000       1.597000      1586.762      -91.5  
1 1 1 14 22 6  o 231.6000       4.733000      1959.705      -137.1 
1 1 1 14 22 7  o 53.18000       1.945000      1377.370      154.2  
1 1 1 14 22 8  o 2.291000       0.9734000     143.4547      -27.5  
1 1 1 14 22 9  o 32.91000       1.667000      870.8715      21.8   
1 1 1 14 22 10 o 4.505000       1.700000      631.0698      -148.0 
1 1 1 14 22 11 o 16.47000       1.401000      513.8818      -91.8  
1 1 1 14 22 12 o 87.03000       2.359000      1159.527      -38.4  
1 1 1 14 22 13 o 67.16000       2.279000      1394.586      -143.2 
1 1 1 14 22 14 o 22.59000       1.309000      527.6655      -33.2  
1 1 1 14 22 15 o 27.96000       1.654000      648.6979      -136.8 
1 1 1 14 22 16 o 29.20000       1.715000      941.2537      128.5  
1 1 1 14 22 17 o 12.64000       1.415000      663.4312      94.1   
1 1 1 14 22 18 o 398.0000       10.57000      2399.645      90.0   
1 1 1 14 22 19 o 36.59000       1.657000      979.3984      -168.7 
1 1 1 14 22 20 o 7.330000       1.312000      636.9861      -136.1 
1 1 1 14 22 21 o 137.8000       3.110000      1585.833      38.2   
1 1 1 14 22 22 o 59.07000       1.611000      1008.200      -21.2  
1 1 1 14 22 23 o 12.85000       1.005000      578.3101      -90.3  
1 1 1 14 22 24 o 12.63000       0.9733000     260.9010      -124.2 
1 1 1 14 22 25 o 25.51000       1.105000      501.4620      93.2   
1 1 1 14 22 26 o 55.51000       1.554000      1071.929      4.6    
1 1 1 14 22 27 o 39.15000       1.288000      862.2700      159.3  
1 1 1 14 22 28 o 10.90000       0.9397000     696.3774      36.6   
1 1 1 14 22 29 o 51.64000       1.493000      1039.430      131.0  
1 1 1 14 22 30 o 3.803000       0.9182000     170.4790      -115.3 
1 1 1 14 22 31 o 51.13000       1.665000      928.3862      -63.5  
1 1 1 14 22 32 o 5.522000       0.9256000     293.3960      -138.2 
1 1 1 14 22 33 o 14.83000       1.033000      367.7000      -63.4  
1 1 1 14 22 34 o 1.113000       0.9643000     270.4218      120.3  
1 1 1 14 22 35 o 21.76000       1.147000      669.6052      -115.1 
1 1 1 14 22 36 o 6.407000       1.236000      114.0300      -55.2  
1 1 1 14 22 37 o 8.825000       1.647000      317.0004      109.2  
1 1 1 14 22 38 o 1.739000       1.218000      303.7023      171.6  
1 1 1 14 22 39 o 9.441000       1.233000      486.5942      -76.1  
1 1 1 14 22 40 o 36.25000       1.593000      1046.734      -28.6  
1 1 1 14 22 41 o 3.094000       1.358000      231.9958      21.3   
1 1 1 14 22 42 o 15.38000       1.349000      456.7481      119.9  
1 1 1 14 22 43 o 1.262000       1.121000      232.7256      -73.4  
1 1 1 14 22 44 o 27.66000       1.388000      716.4481      -119.9 
1 1 1 14 22 45 o 4.960000       1.201000      378.3141      -167.4 
1 1 1 14 22 46 o 3.975000       1.193000      262.4505      44.1   
1 1 1 14 22 47 f 5.066000       1.235000      270.1727      177.4  
1 1 1 14 22 48 o 9.691000       1.298000      268.1796      -68.0  
1 1 1 14 22 49 o 24.05000       1.463000      733.8268      -100.0 
1 1 1 14 22 50 o 21.45000       1.454000      681.2680      -161.1 
1 1 1 14 22 51 o 1.582000       1.307000      111.9309      137.4  
1 1 1 14 22 52 o 18.95000       1.587000      705.6244      120.1  
1 1 1 14 22 53 o 5.233000       1.675000      509.3342      19.7   
1 1 1 14 22 54 o 3.054000       1.439000      ?             ?      
1 1 1 14 22 55 o 0.1069000E-01  1.397000      ?             ?      
1 1 1 14 22 56 o 4.088000       1.429000      ?             ?      
1 1 1 14 22 57 o 6.043000       1.393000      ?             ?      
1 1 1 14 22 58 o -0.4323000     1.378000      ?             ?      
1 1 1 14 22 59 o 2.653000       1.468000      ?             ?      
1 1 1 14 22 60 o 2.237000       1.345000      ?             ?      
1 1 1 14 22 61 o 4.067000       1.258000      ?             ?      
1 1 1 14 22 63 o 3.534000       1.286000      ?             ?      
1 1 1 14 22 64 o -0.2305000     1.249000      ?             ?      
1 1 1 14 22 65 o 2.432000       1.367000      ?             ?      
1 1 1 14 22 66 o 3.884000       1.634000      ?             ?      
1 1 1 14 22 67 o 1.810000       2.148000      ?             ?      
1 1 1 14 22 68 o 3.920000       1.696000      ?             ?      
1 1 1 14 22 69 o 2.234000       1.450000      ?             ?      
1 1 1 14 22 70 o 4.319000       1.483000      ?             ?      
1 1 1 14 23 0  o 231.4000       6.641000      2064.336      180.0  
1 1 1 14 23 1  o 156.9000       3.151000      1442.886      -145.7 
1 1 1 14 23 2  o 62.98000       1.509000      1068.488      63.1   
1 1 1 14 23 3  o 83.68000       1.924000      1200.388      -37.6  
1 1 1 14 23 4  o 12.59000       1.003000      876.5544      27.3   
1 1 1 14 23 5  o 98.09000       2.395000      1762.070      -76.2  
1 1 1 14 23 6  o 46.70000       1.454000      1002.558      -125.7 
1 1 1 14 23 7  o 16.75000       1.290000      796.1308      173.4  
1 1 1 14 23 8  o 45.51000       1.605000      999.3627      -84.2  
1 1 1 14 23 9  o 117.3000       2.920000      1750.043      175.7  
1 1 1 14 23 10 o 250.5000       5.607000      2356.596      148.7  
1 1 1 14 23 11 o 265.1000       5.635000      2082.448      30.0   
1 1 1 14 23 12 o -1.034000      1.348000      379.0396      124.2  
1 1 1 14 23 13 o 38.18000       1.798000      685.6507      124.3  
1 1 1 14 23 14 o 10.28000       1.538000      391.1657      -53.5  
1 1 1 14 23 15 o 67.26000       3.149000      1352.361      59.8   
1 1 1 14 23 16 o 50.90000       2.083000      1162.045      -96.7  
1 1 1 14 23 17 o 40.42000       2.166000      634.3414      -102.2 
1 1 1 14 23 18 o 32.15000       1.540000      738.3544      -109.1 
1 1 1 14 23 19 o 30.69000       1.507000      997.8223      47.7   
1 1 1 14 23 20 o 15.32000       1.072000      651.0168      -36.3  
1 1 1 14 23 21 o 62.60000       1.801000      866.9624      167.5  
1 1 1 14 23 22 o 28.94000       1.177000      820.2205      -104.2 
1 1 1 14 23 23 o 16.97000       1.021000      631.6985      0.8    
1 1 1 14 23 24 o 7.705000       0.9183000     524.5635      68.4   
1 1 1 14 23 25 o 57.68000       1.535000      1072.712      173.6  
1 1 1 14 23 26 o 3.598000       0.8835000     308.8706      -166.9 
1 1 1 14 23 27 o 8.203000       0.9194000     489.7666      -127.8 
1 1 1 14 23 28 o 10.69000       0.9534000     535.8892      -42.1  
1 1 1 14 23 29 o 10.32000       0.9612000     497.7931      151.5  
1 1 1 14 23 30 o 73.29000       1.882000      1242.686      40.9   
1 1 1 14 23 31 o 0.3241000      0.9127000     284.4091      144.4  
1 1 1 14 23 32 o 16.21000       1.033000      569.3503      50.0   
1 1 1 14 23 33 o 4.756000       0.9461000     442.1133      -2.0   
1 1 1 14 23 34 o 0.7324000      0.9517000     153.8596      101.2  
1 1 1 14 23 35 o 1.972000       1.015000      153.6505      -45.6  
1 1 1 14 23 36 o 29.87000       1.521000      847.5734      93.2   
1 1 1 14 23 37 o 8.013000       1.315000      341.0870      52.3   
1 1 1 14 23 38 o 27.38000       1.521000      634.0525      145.4  
1 1 1 14 23 39 o 3.114000       1.164000      162.7563      -125.0 
1 1 1 14 23 40 o 4.429000       1.125000      234.1303      73.0   
1 1 1 14 23 41 o 13.32000       1.328000      543.3491      135.0  
1 1 1 14 23 42 o 15.47000       1.499000      595.1741      -108.2 
1 1 1 14 23 43 o 22.21000       1.484000      685.1480      153.5  
1 1 1 14 23 44 o 32.12000       1.449000      830.7294      -163.6 
1 1 1 14 23 45 o 9.221000       1.217000      451.7364      108.0  
1 1 1 14 23 46 o 44.89000       1.662000      952.3922      -8.1   
1 1 1 14 23 47 o 2.739000       1.216000      155.6372      -66.0  
1 1 1 14 23 48 o 11.10000       1.321000      510.6986      127.8  
1 1 1 14 23 49 o 5.796000       1.314000      387.7888      9.2    
1 1 1 14 23 50 o 12.12000       1.357000      526.5031      19.7   
1 1 1 14 23 51 o -2.374000      1.281000      297.2378      -104.1 
1 1 1 14 23 52 o 15.99000       1.552000      706.3647      54.6   
1 1 1 14 23 53 o 1.225000       1.435000      ?             ?      
1 1 1 14 23 54 o 6.320000       1.311000      ?             ?      
1 1 1 14 23 55 o 5.424000       1.293000      ?             ?      
1 1 1 14 23 56 o 20.71000       1.578000      ?             ?      
1 1 1 14 23 57 o 8.578000       1.532000      ?             ?      
1 1 1 14 23 58 o -0.7417000     1.591000      ?             ?      
1 1 1 14 23 59 o 0.6261000      1.372000      ?             ?      
1 1 1 14 23 60 o -1.476000      1.457000      ?             ?      
1 1 1 14 23 61 o 0.4322000      1.238000      ?             ?      
1 1 1 14 23 62 o 2.170000       1.258000      ?             ?      
1 1 1 14 23 63 o 1.691000       1.367000      ?             ?      
1 1 1 14 23 64 o 2.824000       1.383000      ?             ?      
1 1 1 14 23 65 o 3.288000       1.401000      ?             ?      
1 1 1 14 23 66 o 3.617000       1.442000      ?             ?      
1 1 1 14 23 67 o 2.187000       1.712000      ?             ?      
1 1 1 14 23 68 o 5.383000       1.500000      ?             ?      
1 1 1 14 23 69 o 0.9031000E-01  1.324000      ?             ?      
1 1 1 14 23 70 o 1.048000       1.555000      ?             ?      
1 1 1 14 24 0  o 900.8000       22.55000      4064.219      180.0  
1 1 1 14 24 1  o 71.72000       1.948000      1233.867      -58.6  
1 1 1 14 24 2  o 10.24000       0.8506000     855.7285      -20.6  
1 1 1 14 24 3  o 101.0000       2.438000      1286.047      -116.5 
1 1 1 14 24 4  o 23.22000       0.9984000     955.2170      -38.5  
1 1 1 14 24 5  o 29.86000       1.569000      493.5515      -36.6  
1 1 1 14 24 6  o 88.25000       2.173000      1448.993      114.8  
1 1 1 14 24 7  o 79.00000       2.122000      1650.618      -68.7  
1 1 1 14 24 8  o 238.0000       5.722000      2040.760      -85.7  
1 1 1 14 24 9  o 2.192000       1.491000      328.4151      -45.4  
1 1 1 14 24 10 o 106.7000       2.707000      1679.027      -74.4  
1 1 1 14 24 11 o 3.153000       1.514000      369.5569      -144.4 
1 1 1 14 24 12 o 264.9000       6.992000      2469.273      147.6  
1 1 1 14 24 13 o 44.39000       1.621000      908.6038      -102.9 
1 1 1 14 24 14 o 29.28000       1.571000      859.7756      154.0  
1 1 1 14 24 15 o 3.312000       1.409000      235.9602      0.6    
1 1 1 14 24 16 o 139.6000       4.044000      1686.386      59.5   
1 1 1 14 24 17 o 4.430000       1.447000      167.9576      5.8    
1 1 1 14 24 18 o 18.17000       1.674000      794.8307      122.1  
1 1 1 14 24 19 o 77.13000       2.161000      1630.431      -127.2 
1 1 1 14 24 20 o 37.58000       1.329000      784.2393      -14.7  
1 1 1 14 24 21 o 149.6000       3.732000      1780.385      -0.6   
1 1 1 14 24 22 o 23.08000       1.245000      724.0414      -44.8  
1 1 1 14 24 23 o 9.854000       0.9923000     424.6725      -79.6  
1 1 1 14 24 24 o 8.986000       0.9256000     488.1090      -20.5  
1 1 1 14 24 25 o 32.52000       1.181000      945.0071      178.9  
1 1 1 14 24 26 o 21.79000       1.033000      480.6886      -164.0 
1 1 1 14 24 27 o 20.62000       1.056000      798.8298      -125.7 
1 1 1 14 24 28 o 81.39000       2.014000      1448.690      -37.7  
1 1 1 14 24 29 o 36.01000       1.274000      862.2676      97.2   
1 1 1 14 24 30 o 41.67000       1.365000      830.3523      -112.0 
1 1 1 14 24 31 o 92.92000       2.238000      1274.607      165.3  
1 1 1 14 24 32 o 2.735000       0.9371000     248.2497      -123.2 
1 1 1 14 24 33 o 15.87000       1.059000      607.0400      129.7  
1 1 1 14 24 34 o 1.473000       0.9563000     152.0603      -148.9 
1 1 1 14 24 35 o 37.39000       1.501000      969.6943      177.1  
1 1 1 14 24 36 o 0.2418000      1.170000      48.15165      77.3   
1 1 1 14 24 37 o 11.48000       1.298000      498.1722      -132.3 
1 1 1 14 24 38 o 6.052000       1.251000      410.5933      -24.5  
1 1 1 14 24 39 o 37.60000       1.593000      1020.356      -89.5  
1 1 1 14 24 40 o 4.827000       1.121000      474.6540      -80.5  
1 1 1 14 24 41 o 7.289000       1.283000      439.4919      114.3  
1 1 1 14 24 42 o 35.38000       1.775000      769.7574      -108.9 
1 1 1 14 24 43 o 18.58000       1.443000      628.2094      -124.2 
1 1 1 14 24 44 o 10.11000       1.240000      627.0844      163.1  
1 1 1 14 24 45 o 3.496000       1.209000      187.8243      -109.2 
1 1 1 14 24 46 o 6.545000       1.242000      457.7376      97.8   
1 1 1 14 24 47 o 10.60000       1.307000      434.4475      -95.0  
1 1 1 14 24 48 o 12.68000       1.355000      568.6566      179.0  
1 1 1 14 24 49 o 3.366000       1.284000      253.5916      -117.7 
1 1 1 14 24 50 o 6.003000       1.303000      394.3761      70.7   
1 1 1 14 24 51 o 9.653000       1.452000      499.0384      137.9  
1 1 1 14 24 52 o 2.687000       1.646000      199.0926      168.5  
1 1 1 14 24 53 o 3.157000       1.448000      ?             ?      
1 1 1 14 24 54 o 6.148000       1.298000      ?             ?      
1 1 1 14 24 55 o 1.001000       1.253000      ?             ?      
1 1 1 14 24 56 o 4.567000       1.399000      ?             ?      
1 1 1 14 24 57 f 5.276000       1.501000      ?             ?      
1 1 1 14 24 58 o 0.1912000      1.331000      ?             ?      
1 1 1 14 24 59 o 4.237000       1.393000      ?             ?      
1 1 1 14 24 60 o 1.478000       1.471000      ?             ?      
1 1 1 14 24 61 o 10.14000       1.431000      ?             ?      
1 1 1 14 24 62 o 14.08000       1.574000      ?             ?      
1 1 1 14 24 63 o 2.212000       1.365000      ?             ?      
1 1 1 14 24 64 o -0.8402000     1.235000      ?             ?      
1 1 1 14 24 65 o 5.773000       1.636000      ?             ?      
1 1 1 14 24 66 o 2.072000       2.029000      ?             ?      
1 1 1 14 24 67 o 0.2706000      1.465000      ?             ?      
1 1 1 14 24 68 o 0.6248000      1.298000      ?             ?      
1 1 1 14 24 69 o 0.9113000      1.320000      ?             ?      
1 1 1 14 25 0  o 37.52000       2.011000      1150.118      180.0  
1 1 1 14 25 1  o 245.2000       5.414000      2073.480      -122.6 
1 1 1 14 25 2  o 98.22000       2.510000      1231.694      114.5  
1 1 1 14 25 3  o 33.62000       1.147000      1154.299      -82.1  
1 1 1 14 25 4  o 32.06000       1.164000      1057.964      2.1    
1 1 1 14 25 5  o 17.60000       0.9725000     597.8057      -166.9 
1 1 1 14 25 6  o 8.939000       0.9375000     673.2993      -8.6   
1 1 1 14 25 7  o 86.65000       2.573000      1213.800      -55.6  
1 1 1 14 25 8  o 24.66000       1.419000      637.3696      -34.6  
1 1 1 14 25 9  o 61.91000       2.080000      1361.950      101.2  
1 1 1 14 25 10 o 115.0000       3.677000      1788.886      119.4  
1 1 1 14 25 11 o 2.862000       1.085000      282.3150      50.6   
1 1 1 14 25 12 o 55.77000       1.714000      1290.558      -146.4 
1 1 1 14 25 13 o 55.30000       1.961000      881.1270      -124.5 
1 1 1 14 25 14 o 22.16000       1.595000      545.7991      127.2  
1 1 1 14 25 15 o 23.08000       1.610000      649.0333      -55.6  
1 1 1 14 25 16 o 15.19000       1.248000      809.3442      -49.8  
1 1 1 14 25 17 o 34.73000       1.916000      700.1068      -11.9  
1 1 1 14 25 18 o 8.747000       2.143000      361.7209      11.7   
1 1 1 14 25 19 o 16.93000       1.534000      723.1573      139.7  
1 1 1 14 25 20 o 14.49000       1.173000      814.3913      10.7   
1 1 1 14 25 21 o 2.695000       1.028000      355.9868      110.2  
1 1 1 14 25 22 o 4.236000       0.9338000     294.3904      131.0  
1 1 1 14 25 23 o 89.80000       2.320000      1519.266      127.7  
1 1 1 14 25 24 o 104.3000       2.753000      1353.849      -38.7  
1 1 1 14 25 25 o 5.875000       0.9399000     273.1454      -12.4  
1 1 1 14 25 26 o 2.605000       0.9138000     407.0998      40.3   
1 1 1 14 25 27 o 13.05000       0.9692000     756.8104      36.3   
1 1 1 14 25 28 o 4.091000       0.9104000     310.8240      -72.0  
1 1 1 14 25 29 o -0.7490000     0.8931000     86.48486      55.6   
1 1 1 14 25 30 o 22.20000       1.092000      605.1700      -105.3 
1 1 1 14 25 31 o 10.33000       0.9675000     531.1962      -125.9 
1 1 1 14 25 32 o 13.11000       1.003000      457.1405      87.6   
1 1 1 14 25 33 o 42.88000       1.434000      788.3909      15.4   
1 1 1 14 25 34 o 7.495000       1.030000      505.4269      -61.6  
1 1 1 14 25 35 o 7.102000       1.166000      549.8951      18.6   
1 1 1 14 25 36 o 3.292000       1.115000      378.3327      -95.5  
1 1 1 14 25 37 o 10.64000       1.098000      485.9114      -34.9  
1 1 1 14 25 38 o 2.486000       1.133000      231.1348      17.0   
1 1 1 14 25 39 o 9.266000       1.310000      470.8728      175.6  
1 1 1 14 25 40 o 5.029000       1.219000      326.7135      -16.7  
1 1 1 14 25 41 o 1.310000       1.112000      82.68187      16.0   
1 1 1 14 25 42 o 2.730000       1.278000      124.2629      -144.5 
1 1 1 14 25 43 o -1.755000      1.427000      183.6257      48.8   
1 1 1 14 25 44 o 15.57000       1.460000      559.3302      19.8   
1 1 1 14 25 45 o 16.55000       1.334000      521.9456      -159.1 
1 1 1 14 25 46 o 12.22000       1.319000      598.5651      14.4   
1 1 1 14 25 47 o 31.15000       1.556000      765.8472      -172.1 
1 1 1 14 25 48 o 4.748000       1.295000      452.2672      38.3   
1 1 1 14 25 49 o -0.1177000     1.271000      181.1361      47.1   
1 1 1 14 25 50 o 6.091000       1.316000      426.8040      97.1   
1 1 1 14 25 51 o 2.852000       1.416000      203.3739      -134.3 
1 1 1 14 25 52 o 17.85000       1.584000      ?             ?      
1 1 1 14 25 53 o 1.882000       1.275000      ?             ?      
1 1 1 14 25 54 o 3.907000       1.258000      ?             ?      
1 1 1 14 25 55 o 1.420000       1.244000      ?             ?      
1 1 1 14 25 56 o 2.231000       1.243000      ?             ?      
1 1 1 14 25 57 o -0.4105000     1.352000      ?             ?      
1 1 1 14 25 58 o 1.986000       1.362000      ?             ?      
1 1 1 14 25 59 o 7.165000       1.531000      ?             ?      
1 1 1 14 25 60 o 4.694000       1.388000      ?             ?      
1 1 1 14 25 61 o -0.9904000E-01 1.464000      ?             ?      
1 1 1 14 25 62 o -0.9314000     1.247000      ?             ?      
1 1 1 14 25 63 o 0.4972000      1.346000      ?             ?      
1 1 1 14 25 64 o -1.795000      1.461000      ?             ?      
1 1 1 14 25 65 o -0.4111000     1.611000      ?             ?      
1 1 1 14 25 66 o 0.4735000      1.436000      ?             ?      
1 1 1 14 25 67 o -0.4115000     1.289000      ?             ?      
1 1 1 14 25 68 o 2.253000       1.296000      ?             ?      
1 1 1 14 25 69 o 0.4789000      1.330000      ?             ?      
1 1 1 14 26 0  o 197.2000       8.909000      2047.265      0.0    
1 1 1 14 26 1  o 132.0000       2.772000      1708.958      -15.1  
1 1 1 14 26 2  o 6.809000       0.8796000     451.7895      87.3   
1 1 1 14 26 3  o 42.90000       1.477000      681.2778      172.9  
1 1 1 14 26 4  o 5.990000       0.9064000     559.0297      14.9   
1 1 1 14 26 5  o 48.21000       1.783000      1220.992      63.7   
1 1 1 14 26 6  o 35.95000       1.244000      895.2822      -40.0  
1 1 1 14 26 7  o 6.165000       1.107000      382.3398      -162.3 
1 1 1 14 26 8  o 99.77000       3.050000      1739.477      166.3  
1 1 1 14 26 9  o 11.79000       1.181000      446.9625      25.5   
1 1 1 14 26 10 o 35.67000       1.564000      961.7622      -118.7 
1 1 1 14 26 11 o 3.700000       1.273000      460.7892      -135.2 
1 1 1 14 26 12 f 4.234000       1.060000      409.1827      111.3  
1 1 1 14 26 13 o 15.30000       1.262000      520.2482      -122.3 
1 1 1 14 26 14 o 28.90000       1.290000      776.0004      59.0   
1 1 1 14 26 15 o 3.776000       1.089000      335.7460      -156.8 
1 1 1 14 26 16 o 4.343000       1.163000      318.6524      77.6   
1 1 1 14 26 17 o 38.32000       1.863000      1069.565      -149.3 
1 1 1 14 26 18 o 12.30000       1.479000      573.8745      121.5  
1 1 1 14 26 19 o -2.220000      1.091000      300.4955      176.1  
1 1 1 14 26 20 o 38.31000       1.449000      1141.023      -7.2   
1 1 1 14 26 21 o 3.936000       1.054000      310.3706      166.7  
1 1 1 14 26 22 o 10.29000       1.031000      569.2529      -163.6 
1 1 1 14 26 23 o 16.19000       1.228000      436.4501      -7.5   
1 1 1 14 26 24 o 81.77000       2.432000      1625.819      174.9  
1 1 1 14 26 25 o 39.78000       1.312000      1008.140      -175.0 
1 1 1 14 26 26 o 3.741000       0.9074000     159.0294      -63.3  
1 1 1 14 26 27 o 22.84000       1.141000      605.6797      -34.5  
1 1 1 14 26 28 o 10.81000       0.9644000     469.6656      45.2   
1 1 1 14 26 29 o 2.614000       0.8959000     336.1239      -137.9 
1 1 1 14 26 30 o 4.763000       0.9238000     345.1302      0.3    
1 1 1 14 26 31 o 7.747000       0.9484000     405.2358      163.6  
1 1 1 14 26 32 o 8.850000       0.9660000     529.6765      153.0  
1 1 1 14 26 33 o 31.19000       1.267000      712.3511      -156.0 
1 1 1 14 26 34 o 3.923000       1.066000      357.9570      70.5   
1 1 1 14 26 35 o 1.687000       1.151000      284.8251      136.5  
1 1 1 14 26 36 o 3.764000       1.050000      299.0752      -55.4  
1 1 1 14 26 37 o 6.408000       1.045000      413.9337      -106.4 
1 1 1 14 26 38 o 0.9928000      1.132000      197.1768      -37.4  
1 1 1 14 26 39 o 2.797000       1.254000      157.7430      -89.4  
1 1 1 14 26 40 o 7.108000       1.237000      395.4370      35.6   
1 1 1 14 26 41 o 16.12000       1.244000      627.1168      126.2  
1 1 1 14 26 42 o 13.06000       1.372000      381.8953      160.1  
1 1 1 14 26 43 o 9.243000       1.501000      386.4669      -160.5 
1 1 1 14 26 44 o 4.688000       1.394000      409.2013      -154.7 
1 1 1 14 26 45 o 5.522000       1.279000      392.3588      -126.5 
1 1 1 14 26 46 o 12.69000       1.338000      343.4953      -41.5  
1 1 1 14 26 47 o 3.977000       1.294000      237.0726      -166.3 
1 1 1 14 26 48 o 5.965000       1.300000      246.4453      -165.8 
1 1 1 14 26 49 o -0.8042000     1.260000      125.8933      115.9  
1 1 1 14 26 50 o 8.201000       1.417000      336.2909      -169.7 
1 1 1 14 26 51 o 0.9467000      1.584000      63.25814      -171.2 
1 1 1 14 26 52 o 5.579000       1.417000      ?             ?      
1 1 1 14 26 53 o 5.481000       1.276000      ?             ?      
1 1 1 14 26 54 o 1.858000       1.238000      ?             ?      
1 1 1 14 26 55 o 2.596000       1.228000      ?             ?      
1 1 1 14 26 56 o 1.744000       1.214000      ?             ?      
1 1 1 14 26 57 o 2.798000       1.690000      ?             ?      
1 1 1 14 26 58 o -0.9842000     1.494000      ?             ?      
1 1 1 14 26 59 o 1.621000       1.625000      ?             ?      
1 1 1 14 26 60 o 1.065000       1.361000      ?             ?      
1 1 1 14 26 61 o 1.527000       1.713000      ?             ?      
1 1 1 14 26 62 o -1.904000      1.672000      ?             ?      
1 1 1 14 26 63 o 2.521000       1.385000      ?             ?      
1 1 1 14 26 64 o -0.2041000     1.380000      ?             ?      
1 1 1 14 26 65 o 2.667000       1.578000      ?             ?      
1 1 1 14 26 66 o 0.3659000      1.429000      ?             ?      
1 1 1 14 26 67 o 1.334000       1.272000      ?             ?      
1 1 1 14 26 68 o 0.1013000      1.293000      ?             ?      
1 1 1 14 27 0  o 28.66000       1.541000      723.7209      -0.0   
1 1 1 14 27 1  o 65.55000       1.982000      1310.359      140.8  
1 1 1 14 27 2  o 21.42000       1.346000      702.1637      -134.2 
1 1 1 14 27 3  o 18.62000       0.9730000     778.9174      7.0    
1 1 1 14 27 4  o 9.235000       0.8832000     630.1318      -32.3  
1 1 1 14 27 5  o 1.026000       0.8513000     302.1694      173.4  
1 1 1 14 27 6  o 4.048000       0.8786000     511.9187      0.7    
1 1 1 14 27 7  o 3.707000       0.9020000     246.4037      -132.3 
1 1 1 14 27 8  o 0.7608000E-01  1.069000      46.98848      122.6  
1 1 1 14 27 9  o 6.834000       1.116000      248.8238      137.0  
1 1 1 14 27 10 o 58.36000       1.922000      1118.582      -138.0 
1 1 1 14 27 11 o 54.12000       1.863000      830.4507      -90.3  
1 1 1 14 27 12 o 7.374000       1.054000      412.8864      27.0   
1 1 1 14 27 13 o 8.363000       1.342000      309.0114      -106.8 
1 1 1 14 27 14 o 62.05000       2.284000      1165.391      -96.7  
1 1 1 14 27 15 o 17.43000       1.265000      661.6068      -77.9  
1 1 1 14 27 16 o 26.51000       1.388000      871.1039      -75.6  
1 1 1 14 27 17 o 24.18000       1.528000      459.3250      154.7  
1 1 1 14 27 18 o 6.560000       1.106000      329.7289      -135.5 
1 1 1 14 27 19 o 18.53000       1.243000      665.4258      -100.9 
1 1 1 14 27 20 o 24.09000       1.316000      745.3475      -33.7  
1 1 1 14 27 21 o 0.8965000      0.9941000     263.0470      67.6   
1 1 1 14 27 22 o 32.80000       1.241000      1008.536      -172.1 
1 1 1 14 27 23 o 9.789000       1.173000      388.4724      -138.1 
1 1 1 14 27 24 o 16.38000       1.190000      728.7614      -23.1  
1 1 1 14 27 25 o 4.600000       0.9528000     351.0181      -83.0  
1 1 1 14 27 26 o 8.622000       1.041000      408.4940      28.1   
1 1 1 14 27 27 o 35.76000       1.384000      636.1548      121.6  
1 1 1 14 27 28 o 16.94000       1.015000      515.3942      -122.7 
1 1 1 14 27 29 o 2.309000       0.8953000     317.7492      -47.8  
1 1 1 14 27 30 o -0.6909000     0.9341000     45.22073      -175.7 
1 1 1 14 27 31 o 11.53000       1.020000      480.8114      101.9  
1 1 1 14 27 32 o 27.63000       1.202000      718.4391      -2.7   
1 1 1 14 27 33 o 15.91000       1.123000      559.3012      -89.5  
1 1 1 14 27 34 o 12.18000       1.222000      400.6408      -65.2  
1 1 1 14 27 35 o 2.047000       1.096000      318.2998      -142.2 
1 1 1 14 27 36 o 18.93000       1.169000      603.9403      -25.9  
1 1 1 14 27 37 o 3.720000       1.108000      404.4351      67.5   
1 1 1 14 27 38 o 3.992000       1.069000      266.3063      -135.7 
1 1 1 14 27 39 o 15.97000       1.316000      685.6575      127.2  
1 1 1 14 27 40 o -1.298000      1.301000      91.91755      -77.6  
1 1 1 14 27 41 o 8.626000       1.311000      384.0199      76.6   
1 1 1 14 27 42 o 3.726000       1.190000      339.1347      7.0    
1 1 1 14 27 43 o 3.168000       1.337000      191.2476      -101.6 
1 1 1 14 27 44 o 16.07000       1.636000      533.0615      -9.2   
1 1 1 14 27 45 o 0.4091000      1.385000      200.7210      166.0  
1 1 1 14 27 46 f 2.449000       1.284000      198.2136      -1.6   
1 1 1 14 27 47 o 4.668000       1.290000      338.7753      -152.2 
1 1 1 14 27 48 o 1.302000       1.261000      159.4006      41.9   
1 1 1 14 27 49 o 2.833000       1.281000      306.1394      42.9   
1 1 1 14 27 50 o 0.4738000      1.385000      21.22495      -151.6 
1 1 1 14 27 51 o 0.6260000      1.395000      ?             ?      
1 1 1 14 27 52 o 3.464000       1.258000      ?             ?      
1 1 1 14 27 53 o 1.836000       1.238000      ?             ?      
1 1 1 14 27 54 o 2.563000       1.251000      ?             ?      
1 1 1 14 27 55 o 0.2751000      1.349000      ?             ?      
1 1 1 14 27 56 o 7.873000       1.387000      ?             ?      
1 1 1 14 27 57 o 5.616000       1.383000      ?             ?      
1 1 1 14 27 58 o 1.104000       1.377000      ?             ?      
1 1 1 14 27 59 o 1.224000       1.334000      ?             ?      
1 1 1 14 27 60 o -0.2581000     1.472000      ?             ?      
1 1 1 14 27 61 o 2.681000       1.521000      ?             ?      
1 1 1 14 27 62 o 1.379000       1.355000      ?             ?      
1 1 1 14 27 63 o 0.2848000      1.237000      ?             ?      
1 1 1 14 27 64 o 0.8710000E-01  1.391000      ?             ?      
1 1 1 14 27 65 o 1.097000       1.446000      ?             ?      
1 1 1 14 27 66 o 0.9496000E-01  1.274000      ?             ?      
1 1 1 14 27 67 o 1.604000       1.291000      ?             ?      
1 1 1 14 27 68 o -1.328000      1.303000      ?             ?      
1 1 1 14 28 0  o 14.53000       1.243000      818.0770      0.0    
1 1 1 14 28 1  o 18.71000       1.009000      655.0115      9.9    
1 1 1 14 28 2  o 19.09000       0.9475000     489.8268      164.7  
1 1 1 14 28 3  o 13.92000       1.070000      457.2353      15.5   
1 1 1 14 28 4  o 9.302000       0.8787000     426.9404      -48.6  
1 1 1 14 28 5  o 1.644000       0.8380000     279.6358      142.5  
1 1 1 14 28 6  o 7.899000       1.015000      448.7802      147.7  
1 1 1 14 28 7  o 1.039000       0.8793000     343.3604      -1.5   
1 1 1 14 28 8  o 12.95000       0.9815000     354.2459      -116.5 
1 1 1 14 28 9  o 7.796000       1.124000      297.4083      179.7  
1 1 1 14 28 10 o 1.943000       1.065000      168.4410      -57.6  
1 1 1 14 28 11 o 19.10000       1.316000      417.7265      -2.7   
1 1 1 14 28 12 o 3.626000       1.358000      203.3656      110.2  
1 1 1 14 28 13 o 2.596000       1.343000      197.3430      -139.4 
1 1 1 14 28 14 o -1.149000      1.374000      205.3238      20.3   
1 1 1 14 28 15 o 0.9658000      1.113000      364.8131      -6.3   
1 1 1 14 28 16 o 10.56000       1.384000      630.0863      -154.0 
1 1 1 14 28 17 o 1.891000       1.285000      102.8974      -81.7  
1 1 1 14 28 18 o 10.48000       1.104000      452.6753      -2.3   
1 1 1 14 28 19 o 3.655000       1.082000      330.9319      -12.3  
1 1 1 14 28 20 o 4.254000       1.070000      274.1989      -40.0  
1 1 1 14 28 21 o 34.92000       1.396000      901.5594      170.6  
1 1 1 14 28 22 o 2.283000       0.9294000     215.7855      12.3   
1 1 1 14 28 23 o 13.77000       1.062000      679.9712      -72.3  
1 1 1 14 28 24 o 10.88000       0.9757000     494.6296      147.4  
1 1 1 14 28 25 o 7.275000       0.9100000     325.4347      -77.2  
1 1 1 14 28 26 o 0.1606000      0.8855000     165.8077      48.2   
1 1 1 14 28 27 o 2.122000       0.9463000     228.4098      156.3  
1 1 1 14 28 28 o 13.06000       1.139000      478.7907      130.8  
1 1 1 14 28 29 o -0.2117000     0.9366000     99.06795      -102.6 
1 1 1 14 28 30 o 23.87000       1.209000      739.1949      39.3   
1 1 1 14 28 31 o -0.2409000     0.9281000     180.7374      152.5  
1 1 1 14 28 32 o 2.192000       1.000000      328.6367      -110.8 
1 1 1 14 28 33 o 11.70000       1.252000      525.3618      -18.7  
1 1 1 14 28 34 o 5.562000       1.201000      406.1386      36.7   
1 1 1 14 28 35 o 5.713000       1.064000      304.1169      105.3  
1 1 1 14 28 36 o 7.192000       1.063000      415.1841      -124.5 
1 1 1 14 28 37 o 7.491000       1.098000      410.1482      169.6  
1 1 1 14 28 38 o 2.583000       1.082000      194.7098      -71.4  
1 1 1 14 28 39 o 8.868000       1.248000      363.0431      48.8   
1 1 1 14 28 40 o 18.47000       1.506000      580.2936      164.4  
1 1 1 14 28 41 o 3.069000       1.282000      202.6465      105.6  
1 1 1 14 28 42 o 17.61000       1.349000      493.0255      168.1  
1 1 1 14 28 43 o 2.016000       1.231000      216.8939      168.0  
1 1 1 14 28 44 o -0.3740000     1.376000      59.86692      -26.5  
1 1 1 14 28 45 o 7.703000       1.577000      437.5816      63.5   
1 1 1 14 28 46 o 4.132000       1.424000      243.3935      -87.4  
1 1 1 14 28 47 o 8.366000       1.303000      364.3852      -61.1  
1 1 1 14 28 48 o 0.6301000      1.250000      103.0353      -174.1 
1 1 1 14 28 49 o 2.537000       1.376000      88.80437      155.7  
1 1 1 14 28 50 o 4.048000       1.540000      ?             ?      
1 1 1 14 28 51 o 8.156000       1.447000      ?             ?      
1 1 1 14 28 52 o -0.1509000     1.244000      ?             ?      
1 1 1 14 28 53 o 1.995000       1.370000      ?             ?      
1 1 1 14 28 54 o 5.898000       1.412000      ?             ?      
1 1 1 14 28 55 o 1.527000       1.347000      ?             ?      
1 1 1 14 28 56 o 0.2414000      1.209000      ?             ?      
1 1 1 14 28 57 o -0.3449000     1.307000      ?             ?      
1 1 1 14 28 58 o 2.624000       1.373000      ?             ?      
1 1 1 14 28 59 o 2.287000       1.447000      ?             ?      
1 1 1 14 28 60 o -0.2436000     1.321000      ?             ?      
1 1 1 14 28 61 o 0.3443000      1.358000      ?             ?      
1 1 1 14 28 62 o 1.387000       1.464000      ?             ?      
1 1 1 14 28 63 o 5.559000       1.600000      ?             ?      
1 1 1 14 28 64 o 0.1620000      1.885000      ?             ?      
1 1 1 14 28 65 o 2.355000       1.428000      ?             ?      
1 1 1 14 28 67 o -1.228000      1.781000      ?             ?      
1 1 1 14 29 0  o 4.414000       1.090000      257.6373      -0.0   
1 1 1 14 29 1  o -0.5134000     0.7806000     240.4410      112.7  
1 1 1 14 29 2  o 23.25000       1.117000      541.8267      28.6   
1 1 1 14 29 3  o 6.596000       0.8274000     562.0548      -31.5  
1 1 1 14 29 4  o 8.985000       0.8637000     381.0412      -41.7  
1 1 1 14 29 5  o 16.12000       1.057000      688.2463      54.5   
1 1 1 14 29 6  o 30.93000       1.207000      578.3895      -76.8  
1 1 1 14 29 7  o 10.82000       1.004000      413.5251      -136.6 
1 1 1 14 29 8  o 4.062000       0.9015000     120.1190      125.6  
1 1 1 14 29 9  o -2.304000      1.052000      90.51907      51.5   
1 1 1 14 29 10 o 14.10000       1.288000      487.7147      -102.4 
1 1 1 14 29 11 o 4.319000       1.085000      456.5242      69.1   
1 1 1 14 29 12 o 4.617000       1.536000      246.3733      155.0  
1 1 1 14 29 13 o 28.07000       1.969000      642.2001      -91.6  
1 1 1 14 29 14 o 16.33000       1.262000      515.2624      -78.8  
1 1 1 14 29 15 o 4.556000       1.368000      337.3215      -72.7  
1 1 1 14 29 16 o 6.238000       1.371000      311.9445      83.7   
1 1 1 14 29 17 o 7.665000       1.093000      422.5748      -7.7   
1 1 1 14 29 18 o 8.152000       1.089000      450.8986      -77.4  
1 1 1 14 29 19 o 2.214000       1.047000      150.5598      -109.1 
1 1 1 14 29 20 o -0.8352000     1.028000      62.18748      95.3   
1 1 1 14 29 21 o 5.285000       1.071000      376.5647      -30.6  
1 1 1 14 29 22 o 2.718000       1.022000      221.7892      -113.8 
1 1 1 14 29 23 o 0.5263000      0.8884000     81.39729      -110.3 
1 1 1 14 29 24 o 6.158000       0.9167000     455.4277      46.2   
1 1 1 14 29 25 f 5.109000       0.8734000     162.2069      4.4    
1 1 1 14 29 26 o -0.3054000     0.9210000     137.8511      -130.0 
1 1 1 14 29 27 o 8.387000       0.9865000     420.2666      -149.5 
1 1 1 14 29 28 o 1.847000       0.8942000     333.5096      -56.7  
1 1 1 14 29 29 o 3.010000       0.8999000     116.1283      54.8   
1 1 1 14 29 30 o 4.560000       0.9337000     208.6402      96.5   
1 1 1 14 29 31 o 2.947000       0.9577000     218.0760      99.2   
1 1 1 14 29 32 o 5.166000       1.108000      258.1597      38.4   
1 1 1 14 29 33 o 3.654000       1.249000      347.7350      -158.6 
1 1 1 14 29 34 o 3.089000       1.134000      239.3640      53.9   
1 1 1 14 29 35 o 10.71000       1.098000      271.6154      -67.6  
1 1 1 14 29 36 o 2.697000       1.074000      187.9203      -79.5  
1 1 1 14 29 37 o 0.1544000      1.106000      131.9368      65.5   
1 1 1 14 29 38 o 2.946000       1.106000      176.2525      -164.2 
1 1 1 14 29 39 o 4.689000       1.133000      327.3646      118.1  
1 1 1 14 29 40 o 0.1523000      1.243000      229.9727      -114.5 
1 1 1 14 29 41 o 1.687000       1.372000      176.4214      -47.6  
1 1 1 14 29 42 o 3.218000       1.352000      164.5247      -71.5  
1 1 1 14 29 43 o -0.3955000     1.217000      60.96943      -143.2 
1 1 1 14 29 44 o 3.545000       1.401000      248.4642      18.7   
1 1 1 14 29 45 o 4.914000       1.583000      391.1041      -67.1  
1 1 1 14 29 46 o -1.633000      1.396000      69.01607      -63.8  
1 1 1 14 29 47 o 7.121000       1.290000      353.5204      73.7   
1 1 1 14 29 48 o 0.8617000E-01  1.305000      147.1631      14.9   
1 1 1 14 29 49 o 3.195000       1.400000      ?             ?      
1 1 1 14 29 50 o 7.925000       2.182000      ?             ?      
1 1 1 14 29 51 o -0.1467000     1.404000      ?             ?      
1 1 1 14 29 52 o 4.524000       1.425000      ?             ?      
1 1 1 14 29 53 o -1.286000      1.367000      ?             ?      
1 1 1 14 29 54 o -2.000000      1.215000      ?             ?      
1 1 1 14 29 55 o 0.5242000      1.318000      ?             ?      
1 1 1 14 29 56 o 1.333000       1.337000      ?             ?      
1 1 1 14 29 57 o -0.4579000     1.338000      ?             ?      
1 1 1 14 29 58 o 0.3004000      1.207000      ?             ?      
1 1 1 14 29 59 o 3.621000       1.370000      ?             ?      
1 1 1 14 29 60 o -1.760000      1.308000      ?             ?      
1 1 1 14 29 61 o -0.4897000     1.314000      ?             ?      
1 1 1 14 29 62 o 2.036000       1.362000      ?             ?      
1 1 1 14 29 63 o 0.2635000      1.765000      ?             ?      
1 1 1 14 29 64 o 0.9496000      1.428000      ?             ?      
1 1 1 14 29 65 o -1.777000      1.274000      ?             ?      
1 1 1 14 29 66 o -2.149000      1.291000      ?             ?      
1 1 1 14 29 67 o 0.6246000      1.537000      ?             ?      
1 1 1 14 30 0  o 0.8591000      1.076000      127.6417      0.0    
1 1 1 14 30 1  o 5.327000       0.7894000     244.8048      19.3   
1 1 1 14 30 2  o 4.042000       0.7934000     179.4311      122.0  
1 1 1 14 30 3  o -0.1833000     0.7788000     141.2791      -70.7  
1 1 1 14 30 4  o 0.5550000      0.8045000     163.2319      -123.5 
1 1 1 14 30 5  o 0.9795000      0.8112000     97.16827      99.6   
1 1 1 14 30 6  o 0.8925000      0.8258000     128.2955      -94.5  
1 1 1 14 30 7  o -0.7738000     0.8557000     251.2346      28.8   
1 1 1 14 30 8  o 9.053000       0.9381000     244.9394      -127.9 
1 1 1 14 30 9  o 5.943000       1.070000      187.1912      147.4  
1 1 1 14 30 10 o 3.340000       1.053000      289.9174      -172.6 
1 1 1 14 30 11 o 4.838000       1.297000      368.5227      -10.8  
1 1 1 14 30 12 o 1.625000       1.459000      87.62677      74.8   
1 1 1 14 30 13 o 5.528000       1.243000      351.5335      19.5   
1 1 1 14 30 14 o -0.9216000     1.243000      125.0591      47.9   
1 1 1 14 30 15 o 3.384000       1.384000      102.3336      93.7   
1 1 1 14 30 16 o 3.197000       1.348000      137.8656      -90.1  
1 1 1 14 30 17 o 1.323000       1.110000      170.0516      -75.1  
1 1 1 14 30 18 o 3.102000       1.124000      99.91233      166.2  
1 1 1 14 30 19 o 1.992000       1.081000      291.0242      23.9   
1 1 1 14 30 20 o 9.889000       1.117000      361.1723      58.4   
1 1 1 14 30 21 o -0.4352000     1.022000      90.31742      60.5   
1 1 1 14 30 22 o 4.096000       1.015000      204.1605      42.1   
1 1 1 14 30 23 o 1.184000       0.9989000     215.3194      -160.9 
1 1 1 14 30 24 o 2.170000       0.8754000     79.03271      42.8   
1 1 1 14 30 25 o 0.2062000      0.8582000     56.63152      155.3  
1 1 1 14 30 26 o 0.5463000E-01  0.8375000     47.53190      49.6   
1 1 1 14 30 27 o -0.8584000     0.8692000     31.76670      -92.3  
1 1 1 14 30 28 o 12.26000       0.9790000     291.6640      53.8   
1 1 1 14 30 29 o -0.1488000     0.9003000     185.1500      -33.9  
1 1 1 14 30 30 o 2.942000       0.9195000     276.0471      -41.6  
1 1 1 14 30 31 o 0.9837000      0.9402000     197.9813      -158.8 
1 1 1 14 30 32 o 2.612000       1.048000      105.6227      45.4   
1 1 1 14 30 33 o 2.393000       1.192000      120.2039      62.1   
1 1 1 14 30 34 o 1.159000       1.114000      109.5658      115.2  
1 1 1 14 30 35 o 1.513000       1.084000      137.8668      -117.3 
1 1 1 14 30 36 o -0.7248000     1.099000      117.9212      -111.5 
1 1 1 14 30 37 o 0.6389000      1.078000      65.95317      -82.7  
1 1 1 14 30 38 o 1.554000       1.114000      100.6420      -31.7  
1 1 1 14 30 39 o 1.568000       1.192000      189.1237      80.0   
1 1 1 14 30 40 o -0.4834000     1.316000      118.9309      152.6  
1 1 1 14 30 41 o 2.691000       1.377000      105.8207      -19.9  
1 1 1 14 30 42 o 21.52000       1.727000      577.3679      161.1  
1 1 1 14 30 43 o 5.564000       1.281000      329.3773      53.1   
1 1 1 14 30 44 o 9.854000       1.302000      436.3863      33.2   
1 1 1 14 30 45 o -3.340000      1.452000      110.9575      94.1   
1 1 1 14 30 46 o 1.501000       1.531000      79.95541      58.1   
1 1 1 14 30 47 o 3.277000       1.388000      123.3580      -143.0 
1 1 1 14 30 48 o 2.415000       1.549000      169.1652      98.8   
1 1 1 14 30 49 o 6.383000       2.528000      ?             ?      
1 1 1 14 30 50 o -0.3334000     1.467000      ?             ?      
1 1 1 14 30 51 o -1.370000      1.367000      ?             ?      
1 1 1 14 30 52 o 3.574000       1.378000      ?             ?      
1 1 1 14 30 53 f 0.9655000      1.329000      ?             ?      
1 1 1 14 30 54 o 3.643000       1.340000      ?             ?      
1 1 1 14 30 55 o -1.040000      1.200000      ?             ?      
1 1 1 14 30 56 o -0.7520000     1.184000      ?             ?      
1 1 1 14 30 57 o 1.729000       1.213000      ?             ?      
1 1 1 14 30 58 o 1.578000       1.202000      ?             ?      
1 1 1 14 30 59 o -0.6921000     1.353000      ?             ?      
1 1 1 14 30 60 o 0.6642000      1.447000      ?             ?      
1 1 1 14 30 61 o 0.7570000      1.331000      ?             ?      
1 1 1 14 30 62 o -2.021000      1.568000      ?             ?      
1 1 1 14 30 63 o 1.240000       2.120000      ?             ?      
1 1 1 14 30 64 o -2.395000      1.598000      ?             ?      
1 1 1 14 30 65 o -1.650000      1.265000      ?             ?      
1 1 1 14 30 66 o -0.1169000     1.277000      ?             ?      
1 1 1 14 31 0  o 6.789000       1.135000      449.2966      -0.0   
1 1 1 14 31 1  o 2.430000       0.7615000     272.5421      -53.2  
1 1 1 14 31 2  o -0.8456000E-01 0.7475000     39.07726      3.5    
1 1 1 14 31 3  o 3.686000       0.7833000     170.0132      62.3   
1 1 1 14 31 4  o 0.4692000      0.7783000     199.4870      -90.5  
1 1 1 14 31 5  o 4.219000       0.8140000     176.6605      -5.4   
1 1 1 14 31 6  o 2.266000       0.8118000     98.29852      -102.7 
1 1 1 14 31 7  o 5.150000       0.8607000     36.88071      -45.4  
1 1 1 14 31 8  o -0.2166000E-01 0.8579000     83.81911      90.9   
1 1 1 14 31 9  o 0.6491000      1.010000      58.69435      -173.8 
1 1 1 14 31 10 o 0.8425000      1.021000      119.7952      -136.8 
1 1 1 14 31 11 o 1.559000       1.255000      250.7149      89.8   
1 1 1 14 31 12 o 4.535000       1.479000      124.9790      66.1   
1 1 1 14 31 13 o 2.464000       1.287000      138.6706      -69.0  
1 1 1 14 31 14 o 0.2624000      1.230000      48.97858      163.1  
1 1 1 14 31 15 o -1.448000      1.538000      66.30464      -96.6  
1 1 1 14 31 16 o 4.739000       1.117000      242.2505      76.0   
1 1 1 14 31 17 o 7.358000       1.212000      244.3322      -62.2  
1 1 1 14 31 18 o 5.190000       1.154000      144.7050      136.9  
1 1 1 14 31 19 o 1.113000       1.181000      159.8686      105.9  
1 1 1 14 31 20 o 3.414000       1.104000      164.2874      -25.3  
1 1 1 14 31 21 o -1.503000      1.000000      102.7309      -19.8  
1 1 1 14 31 22 o 3.081000       0.9991000     95.56653      -132.8 
1 1 1 14 31 23 o 1.736000       0.9742000     46.61780      -133.6 
1 1 1 14 31 24 o 2.462000       0.9558000     139.7722      12.8   
1 1 1 14 31 25 o 1.278000       0.8563000     48.16050      173.9  
1 1 1 14 31 26 o 1.614000       0.8529000     125.0557      -166.0 
1 1 1 14 31 27 o 1.206000       0.8466000     81.07755      113.3  
1 1 1 14 31 28 o 3.270000       0.8620000     168.1816      62.8   
1 1 1 14 31 29 o 0.2746000      0.8280000     46.19620      102.3  
1 1 1 14 31 30 o 2.063000       0.8529000     47.99128      -28.9  
1 1 1 14 31 31 o 3.284000       0.9446000     238.4862      127.7  
1 1 1 14 31 32 o 1.766000       0.9754000     133.4644      91.4   
1 1 1 14 31 33 o -0.4151000     0.9829000     53.07893      -169.5 
1 1 1 14 31 34 o 0.4833000      1.015000      15.98154      -36.5  
1 1 1 14 31 35 o 2.032000       1.021000      136.8965      -148.9 
1 1 1 14 31 36 o 4.571000       1.123000      228.1174      -19.2  
1 1 1 14 31 37 o 1.090000       1.137000      28.95951      106.7  
1 1 1 14 31 38 o 0.1380000E-02  1.173000      68.96065      -149.0 
1 1 1 14 31 39 o -1.036000      1.201000      36.08647      4.9    
1 1 1 14 31 40 o 0.4701000      1.182000      63.07006      -88.2  
1 1 1 14 31 41 o 1.379000       1.303000      91.63040      111.7  
1 1 1 14 31 42 o -1.124000      1.509000      63.34379      66.3   
1 1 1 14 31 43 o -0.7632000     1.426000      132.5097      -145.7 
1 1 1 14 31 44 o 1.703000       1.233000      60.47520      -72.7  
1 1 1 14 31 45 o 0.1140000      1.240000      171.8923      -123.4 
1 1 1 14 31 46 o -0.9704000     1.549000      83.23472      71.5   
1 1 1 14 31 47 o -0.8525000     1.865000      63.53953      -169.5 
1 1 1 14 31 48 o 1.677000       2.093000      ?             ?      
1 1 1 14 31 49 o -1.393000      1.615000      ?             ?      
1 1 1 14 31 50 o 2.221000       1.349000      ?             ?      
1 1 1 14 31 51 o 1.133000       1.322000      ?             ?      
1 1 1 14 31 52 o -1.952000      1.310000      ?             ?      
1 1 1 14 31 53 o 4.133000       1.216000      ?             ?      
1 1 1 14 31 54 o 2.241000       1.200000      ?             ?      
1 1 1 14 31 55 o 0.5301000      1.174000      ?             ?      
1 1 1 14 31 56 o 4.353000       1.218000      ?             ?      
1 1 1 14 31 57 o -0.2950000     1.208000      ?             ?      
1 1 1 14 31 58 o 1.523000       1.224000      ?             ?      
1 1 1 14 31 59 o 1.724000       1.223000      ?             ?      
1 1 1 14 31 60 o 2.518000       1.361000      ?             ?      
1 1 1 14 31 61 o -0.2404000     1.324000      ?             ?      
1 1 1 14 31 62 o 0.6436000E-01  1.533000      ?             ?      
1 1 1 14 31 63 o 0.3637000      1.616000      ?             ?      
1 1 1 14 31 64 o 1.102000       1.525000      ?             ?      
1 1 1 14 31 65 o 0.7124000      1.412000      ?             ?      
1 1 1 14 32 0  o 1.145000       1.099000      18.73244      180.0  
1 1 1 14 32 1  o 0.1300000E-01  0.7350000     88.15686      10.5   
1 1 1 14 32 2  o -0.5710000E-01 0.7375000     227.5922      -85.7  
1 1 1 14 32 3  o 1.402000       0.7543000     131.8907      66.7   
1 1 1 14 32 4  o 0.2615000      0.7598000     69.02060      124.3  
1 1 1 14 32 5  f 0.1074000      0.7745000     98.05421      -7.4   
1 1 1 14 32 6  o 1.626000       0.8091000     113.9592      -45.6  
1 1 1 14 32 7  o -0.1645000E-02 0.8208000     107.3028      72.8   
1 1 1 14 32 8  o -0.1510000     0.8355000     101.6224      -158.1 
1 1 1 14 32 9  o 0.1175000      1.023000      109.2793      -119.5 
1 1 1 14 32 10 o -0.3645000     1.208000      145.5472      -175.1 
1 1 1 14 32 11 o 2.066000       1.271000      34.08271      132.7  
1 1 1 14 32 12 o 0.3922000      1.124000      85.42990      131.8  
1 1 1 14 32 13 o -0.4677000     1.191000      72.86646      117.7  
1 1 1 14 32 14 o -1.196000      1.543000      79.16182      -10.9  
1 1 1 14 32 15 o 2.200000       1.534000      104.9718      146.0  
1 1 1 14 32 16 o 1.439000       1.165000      134.8083      -16.0  
1 1 1 14 32 17 o -2.106000      1.070000      77.49138      62.4   
1 1 1 14 32 18 o 2.829000       1.099000      82.35229      160.2  
1 1 1 14 32 19 o -1.774000      1.085000      19.70401      28.6   
1 1 1 14 32 20 o 0.6650000      1.057000      120.6007      -1.8   
1 1 1 14 32 21 o 0.2282000      1.054000      121.7702      -100.3 
1 1 1 14 32 22 o 0.3814000      1.030000      34.14202      83.7   
1 1 1 14 32 23 o -0.1751000     0.9586000     103.7548      152.3  
1 1 1 14 32 24 o 2.037000       0.9853000     181.4221      -77.6  
1 1 1 14 32 25 o 3.109000       0.9963000     226.0737      -60.7  
1 1 1 14 32 26 o 1.045000       1.041000      26.31578      -106.5 
1 1 1 14 32 27 o -0.7329000     0.8455000     70.66685      -151.3 
1 1 1 14 32 28 o 0.6031000      0.8177000     59.79956      -38.8  
1 1 1 14 32 29 o 0.1173000      0.8225000     104.9444      100.0  
1 1 1 14 32 30 o 0.8755000      0.8944000     48.85676      104.1  
1 1 1 14 32 31 o 0.1323000      0.9414000     69.20089      -58.3  
1 1 1 14 32 32 o 0.4765000      0.9832000     65.47900      121.1  
1 1 1 14 32 33 o 1.513000       0.9523000     74.08099      -42.2  
1 1 1 14 32 34 o 0.4641000      0.9432000     85.23884      126.8  
1 1 1 14 32 35 o -0.4594000     1.016000      74.09637      160.6  
1 1 1 14 32 36 o 2.033000       1.126000      120.7270      -28.2  
1 1 1 14 32 37 o -0.1665000     1.076000      131.6320      42.5   
1 1 1 14 32 38 o -3.753000      1.099000      36.37210      -176.9 
1 1 1 14 32 39 o -0.5613000     1.173000      71.29924      35.5   
1 1 1 14 32 40 o 1.659000       1.217000      12.45996      -87.1  
1 1 1 14 32 41 o 2.357000       1.423000      136.3205      127.6  
1 1 1 14 32 42 o 1.713000       1.524000      106.9693      158.7  
1 1 1 14 32 43 o 5.622000       1.434000      164.0106      62.9   
1 1 1 14 32 44 o 4.276000       1.480000      225.7346      2.0    
1 1 1 14 32 45 o -1.441000      1.293000      117.9235      154.3  
1 1 1 14 32 46 o 8.300000       1.620000      167.2399      78.9   
1 1 1 14 32 47 o -0.9930000     1.781000      ?             ?      
1 1 1 14 32 48 o 0.6882000      1.929000      ?             ?      
1 1 1 14 32 49 o 0.4384000      1.357000      ?             ?      
1 1 1 14 32 50 o -0.2578000     1.295000      ?             ?      
1 1 1 14 32 51 o 1.819000       1.197000      ?             ?      
1 1 1 14 32 52 o 2.162000       1.178000      ?             ?      
1 1 1 14 32 53 o 0.6475000      1.166000      ?             ?      
1 1 1 14 32 54 o 2.119000       1.175000      ?             ?      
1 1 1 14 32 55 o 0.5544000      1.187000      ?             ?      
1 1 1 14 32 56 o 0.1188000      1.173000      ?             ?      
1 1 1 14 32 57 o 4.498000       1.252000      ?             ?      
1 1 1 14 32 58 o 0.2144000E-01  1.206000      ?             ?      
1 1 1 14 32 59 o 0.9290000      1.209000      ?             ?      
1 1 1 14 32 60 o 1.794000       1.374000      ?             ?      
1 1 1 14 32 61 o 3.341000       1.724000      ?             ?      
1 1 1 14 32 62 o 0.4414000      1.837000      ?             ?      
1 1 1 14 32 63 o 1.520000       1.405000      ?             ?      
1 1 1 14 32 64 o 1.556000       1.407000      ?             ?      
1 1 1 14 32 65 o -0.2246000     1.419000      ?             ?      
1 1 1 14 33 0  o 2.641000       1.111000      96.84159      180.0  
1 1 1 14 33 1  o 0.6685000      0.7583000     136.6484      5.3    
1 1 1 14 33 2  o -1.438000      0.7839000     74.72276      82.9   
1 1 1 14 33 3  o -0.5903000     0.7561000     130.6243      123.7  
1 1 1 14 33 4  o -0.5018000     0.7628000     123.5764      -27.8  
1 1 1 14 33 5  o 1.104000       0.7938000     258.7282      141.6  
1 1 1 14 33 6  o 1.247000       0.8070000     230.1117      -32.9  
1 1 1 14 33 7  o 0.4145000      0.8155000     115.8083      -134.9 
1 1 1 14 33 8  o 2.501000       0.8306000     235.0552      -23.4  
1 1 1 14 33 9  o 1.687000       1.047000      121.5305      -31.6  
1 1 1 14 33 10 o -1.385000      1.188000      37.73742      -157.0 
1 1 1 14 33 11 o -0.5071000     1.266000      124.8991      -150.3 
1 1 1 14 33 12 o 0.8502000      1.218000      23.56003      129.3  
1 1 1 14 33 13 o 1.598000       1.361000      106.1788      43.4   
1 1 1 14 33 14 o -0.1068000E-02 1.509000      40.56877      -24.9  
1 1 1 14 33 15 o 2.098000       1.168000      84.08126      90.3   
1 1 1 14 33 16 o -3.999000      1.125000      39.12530      53.2   
1 1 1 14 33 17 o -0.8739000     1.135000      79.84921      15.1   
1 1 1 14 33 18 o 1.557000       1.052000      47.59034      21.2   
1 1 1 14 33 19 o 0.8435000      1.040000      68.39738      65.8   
1 1 1 14 33 20 o 2.109000       1.308000      297.7328      -82.8  
1 1 1 14 33 21 o -1.763000      1.027000      81.93263      -117.7 
1 1 1 14 33 22 o -0.2662000     1.015000      123.9741      -72.6  
1 1 1 14 33 23 o 1.554000       1.042000      146.3849      -3.7   
1 1 1 14 33 24 o -0.8089000     0.9707000     153.2673      -45.2  
1 1 1 14 33 25 o -0.5022000     1.019000      55.98966      115.8  
1 1 1 14 33 26 o 5.786000       1.104000      284.6010      -52.9  
1 1 1 14 33 27 o -0.5588000     1.062000      148.1580      -13.7  
1 1 1 14 33 28 o 4.971000       0.8855000     195.2813      -167.4 
1 1 1 14 33 29 o -0.8323000     0.8269000     65.16673      -122.2 
1 1 1 14 33 30 o -0.5363000     0.8631000     46.25610      111.9  
1 1 1 14 33 31 o 1.097000       0.9315000     143.1290      -141.4 
1 1 1 14 33 32 o -0.3742000     0.8797000     69.87959      66.1   
1 1 1 14 33 33 o 0.6357000      0.9319000     112.5428      -137.9 
1 1 1 14 33 34 f 0.3061000      0.9410000     129.7655      -163.2 
1 1 1 14 33 35 o -0.2692000     0.9477000     40.13692      2.0    
1 1 1 14 33 36 o 1.934000       0.9740000     131.9281      -162.9 
1 1 1 14 33 37 o -0.6762000     1.072000      57.32325      -98.2  
1 1 1 14 33 38 o 1.683000       1.166000      120.0360      65.0   
1 1 1 14 33 39 o 0.1040000      1.166000      71.54126      150.4  
1 1 1 14 33 40 o 4.973000       1.164000      181.8402      -135.5 
1 1 1 14 33 41 o 0.3335000      1.162000      52.79754      -31.2  
1 1 1 14 33 42 o 0.8350000      2.056000      123.5577      -138.8 
1 1 1 14 33 43 o 0.3780000      1.507000      87.26324      -142.7 
1 1 1 14 33 44 o -0.3279000     1.673000      124.9722      -133.3 
1 1 1 14 33 45 o -1.455000      1.279000      124.0480      -173.7 
1 1 1 14 33 46 o 0.7167000E-01  1.440000      ?             ?      
1 1 1 14 33 47 o 0.1912000E-01  1.970000      ?             ?      
1 1 1 14 33 48 o 0.5550000E-01  2.583000      ?             ?      
1 1 1 14 33 49 o 0.8957000      1.403000      ?             ?      
1 1 1 14 33 50 o 0.5886000      1.239000      ?             ?      
1 1 1 14 33 51 o 0.4168000      1.156000      ?             ?      
1 1 1 14 33 52 f 1.059000       1.149000      ?             ?      
1 1 1 14 33 53 o 1.704000       1.161000      ?             ?      
1 1 1 14 33 54 o 1.540000       1.164000      ?             ?      
1 1 1 14 33 55 o 1.614000       1.173000      ?             ?      
1 1 1 14 33 56 o 2.743000       1.188000      ?             ?      
1 1 1 14 33 57 o 5.360000       1.244000      ?             ?      
1 1 1 14 33 58 o 1.396000       1.202000      ?             ?      
1 1 1 14 33 59 o -0.9964000     1.188000      ?             ?      
1 1 1 14 33 60 o -1.877000      1.213000      ?             ?      
1 1 1 14 33 61 o -0.3615000     1.527000      ?             ?      
1 1 1 14 33 62 o -1.610000      1.575000      ?             ?      
1 1 1 14 33 63 o -0.5834000     1.409000      ?             ?      
1 1 1 14 33 64 o 1.502000       1.423000      ?             ?      
1 1 1 14 34 0  o -2.398000      1.105000      69.41397      0.0    
1 1 1 14 34 1  o 4.146000       0.7765000     226.6732      -10.8  
1 1 1 14 34 2  o -0.3074000     0.7552000     81.14134      -8.4   
1 1 1 14 34 3  o 2.292000       0.7940000     310.5363      -49.4  
1 1 1 14 34 4  o 4.876000       0.8092000     301.8499      -95.2  
1 1 1 14 34 5  o 2.161000       0.7946000     302.5406      -8.4   
1 1 1 14 34 6  o 0.3313000      0.7939000     86.14838      99.0   
1 1 1 14 34 7  o 3.686000       0.8233000     348.6115      84.6   
1 1 1 14 34 8  o 3.363000       0.8463000     187.1892      8.9    
1 1 1 14 34 9  o -2.272000      0.9321000     133.4928      139.1  
1 1 1 14 34 10 o 1.471000       1.253000      215.0273      32.6   
1 1 1 14 34 11 o 1.411000       1.058000      119.4247      161.6  
1 1 1 14 34 12 o 10.35000       1.298000      339.4496      127.6  
1 1 1 14 34 13 o -0.2916000     1.578000      143.4851      125.6  
1 1 1 14 34 14 o 0.5177000      1.538000      166.5941      154.4  
1 1 1 14 34 15 o 1.457000       1.136000      58.08989      -88.2  
1 1 1 14 34 16 o 6.764000       1.234000      213.9561      24.0   
1 1 1 14 34 17 o 1.750000       1.137000      183.0444      143.1  
1 1 1 14 34 18 o 1.632000       1.147000      87.24048      -12.6  
1 1 1 14 34 19 o 1.816000       1.036000      170.7776      99.1   
1 1 1 14 34 20 o 2.687000       1.043000      128.0097      83.8   
1 1 1 14 34 21 o -1.020000      1.032000      98.29706      -37.9  
1 1 1 14 34 22 o 3.904000       1.073000      212.1427      94.9   
1 1 1 14 34 23 o 2.722000       1.019000      25.08437      -13.7  
1 1 1 14 34 24 o -0.3983000E-02 0.9771000     149.2372      -83.0  
1 1 1 14 34 25 o 0.6746000      0.9669000     118.4118      -27.5  
1 1 1 14 34 26 o 0.2788000      1.044000      194.9372      -16.8  
1 1 1 14 34 27 o 0.5669000      1.036000      64.09602      -5.3   
1 1 1 14 34 28 o 2.683000       1.063000      280.2350      100.1  
1 1 1 14 34 29 o 1.136000       0.8584000     156.7950      43.0   
1 1 1 14 34 30 o 1.353000       0.9297000     64.38195      16.8   
1 1 1 14 34 31 o 1.682000       0.9617000     171.7791      136.9  
1 1 1 14 34 32 o -0.7166000     0.9051000     74.94621      -7.9   
1 1 1 14 34 33 o 0.6649000      0.8970000     85.72067      18.6   
1 1 1 14 34 34 o 2.581000       0.9435000     184.3470      20.9   
1 1 1 14 34 35 o -0.8649000     0.9433000     103.8992      -44.3  
1 1 1 14 34 36 o -1.177000      0.9597000     93.03199      10.0   
1 1 1 14 34 37 o 0.1359000      0.9809000     50.62114      93.9   
1 1 1 14 34 38 o -0.4945000     1.046000      27.59320      143.7  
1 1 1 14 34 39 o 2.190000       1.215000      119.5016      -22.7  
1 1 1 14 34 40 o 1.897000       1.240000      15.35441      111.6  
1 1 1 14 34 41 o 4.412000       1.208000      90.60790      -12.2  
1 1 1 14 34 42 o 2.513000       1.605000      206.0415      17.3   
1 1 1 14 34 43 o -0.8051000     1.501000      84.23167      -41.4  
1 1 1 14 34 44 o -0.2505000     1.277000      57.73219      -116.6 
1 1 1 14 34 45 o 1.982000       1.522000      ?             ?      
1 1 1 14 34 46 o 4.988000       1.499000      ?             ?      
1 1 1 14 34 47 o -0.2898000     1.364000      ?             ?      
1 1 1 14 34 48 o -0.7460000     1.371000      ?             ?      
1 1 1 14 34 49 o 2.576000       1.576000      ?             ?      
1 1 1 14 34 50 o -0.5397000     1.310000      ?             ?      
1 1 1 14 34 51 o 1.748000       1.216000      ?             ?      
1 1 1 14 34 52 o 1.967000       1.206000      ?             ?      
1 1 1 14 34 53 o 4.476000       1.329000      ?             ?      
1 1 1 14 34 54 o 1.352000       1.151000      ?             ?      
1 1 1 14 34 55 o -1.766000      1.277000      ?             ?      
1 1 1 14 34 56 o 0.2523000      1.155000      ?             ?      
1 1 1 14 34 57 o 0.9221000      1.175000      ?             ?      
1 1 1 14 34 58 o 4.040000       1.361000      ?             ?      
1 1 1 14 34 59 o 1.443000       1.184000      ?             ?      
1 1 1 14 34 60 o 2.403000       1.337000      ?             ?      
1 1 1 14 34 61 o 1.365000       1.669000      ?             ?      
1 1 1 14 34 62 o 1.788000       1.725000      ?             ?      
1 1 1 14 34 63 o 1.149000       1.373000      ?             ?      
1 1 1 14 35 0  o 1.223000       1.108000      87.28608      180.0  
1 1 1 14 35 1  o 2.538000       0.7632000     241.2192      17.9   
1 1 1 14 35 2  o 9.788000       0.8318000     451.1933      55.3   
1 1 1 14 35 3  o 0.7810000      0.7660000     209.0242      67.6   
1 1 1 14 35 4  o 2.452000       0.7778000     247.5318      6.6    
1 1 1 14 35 5  o -0.4074000     0.7845000     83.49315      -157.8 
1 1 1 14 35 6  o 3.686000       0.8095000     321.9970      122.6  
1 1 1 14 35 7  o -0.9347000     0.7950000     65.08562      -128.3 
1 1 1 14 35 8  o 1.235000       0.8310000     144.1694      119.8  
1 1 1 14 35 9  o 1.278000       0.9383000     181.3427      -1.9   
1 1 1 14 35 10 o 3.136000       1.246000      298.9236      -82.3  
1 1 1 14 35 11 o 2.450000       1.053000      173.5569      -21.9  
1 1 1 14 35 12 o 13.69000       1.368000      512.0001      149.2  
1 1 1 14 35 13 o -0.4634000     1.551000      88.63810      -145.7 
1 1 1 14 35 14 o 0.3952000      1.497000      171.9413      -114.8 
1 1 1 14 35 15 o 3.966000       1.173000      178.8675      121.2  
1 1 1 14 35 16 o 14.00000       1.458000      581.0851      69.6   
1 1 1 14 35 17 o -0.6585000     1.139000      10.66900      136.6  
1 1 1 14 35 18 o 0.8201000      1.156000      130.9456      149.7  
1 1 1 14 35 19 o 4.992000       1.174000      281.4451      113.4  
1 1 1 14 35 20 o 3.751000       1.043000      240.1351      151.8  
1 1 1 14 35 21 o 6.036000       1.051000      426.0277      -122.1 
1 1 1 14 35 22 o 12.34000       1.117000      392.2069      -23.9  
1 1 1 14 35 23 o 0.1195000      1.006000      253.9632      -48.3  
1 1 1 14 35 24 o 7.393000       1.050000      207.8332      -155.0 
1 1 1 14 35 25 o 3.368000       0.9931000     171.6557      -3.9   
1 1 1 14 35 26 o -1.118000      0.9970000     80.60572      -83.3  
1 1 1 14 35 27 o 9.388000       1.065000      411.5408      -160.9 
1 1 1 14 35 28 o 3.602000       1.089000      239.1395      -166.5 
1 1 1 14 35 29 o 2.691000       1.119000      57.64568      129.7  
1 1 1 14 35 30 o 0.7820000      0.9130000     183.2604      90.9   
1 1 1 14 35 31 o 1.276000       0.9138000     147.8725      -56.6  
1 1 1 14 35 32 o -0.7911000     0.9255000     65.57996      74.6   
1 1 1 14 35 33 o 11.06000       0.9959000     438.2204      96.2   
1 1 1 14 35 34 o -1.790000      0.9172000     101.7810      -72.8  
1 1 1 14 35 35 o 2.063000       0.9566000     151.1825      155.9  
1 1 1 14 35 36 o 2.902000       0.9877000     198.9164      -137.8 
1 1 1 14 35 37 o 4.428000       1.170000      298.9397      -137.0 
1 1 1 14 35 38 o 2.738000       1.209000      98.42553      122.6  
1 1 1 14 35 39 o 0.6935000      1.236000      87.90715      -126.8 
1 1 1 14 35 40 o -0.6204000     1.253000      143.7886      -145.2 
1 1 1 14 35 41 o 5.254000       1.233000      337.4908      80.1   
1 1 1 14 35 42 o -0.3676000     1.204000      46.02878      -32.3  
1 1 1 14 35 43 o -0.3613000     1.262000      80.08223      170.2  
1 1 1 14 35 44 o 9.901000       1.463000      ?             ?      
1 1 1 14 35 45 o -2.969000      1.423000      ?             ?      
1 1 1 14 35 46 o -1.031000      1.330000      ?             ?      
1 1 1 14 35 47 o 3.181000       1.278000      ?             ?      
1 1 1 14 35 48 o 5.251000       1.399000      ?             ?      
1 1 1 14 35 49 o 1.839000       1.365000      ?             ?      
1 1 1 14 35 50 o 3.005000       1.411000      ?             ?      
1 1 1 14 35 51 o 3.436000       1.203000      ?             ?      
1 1 1 14 35 52 o 1.859000       1.173000      ?             ?      
1 1 1 14 35 53 o 2.125000       1.141000      ?             ?      
1 1 1 14 35 54 o -0.6722000     1.127000      ?             ?      
1 1 1 14 35 55 o -0.4481000     1.198000      ?             ?      
1 1 1 14 35 56 o 1.035000       1.218000      ?             ?      
1 1 1 14 35 57 o -0.9710000     1.164000      ?             ?      
1 1 1 14 35 58 o 2.599000       1.190000      ?             ?      
1 1 1 14 35 59 o 0.9960000      1.186000      ?             ?      
1 1 1 14 35 60 o -1.233000      1.302000      ?             ?      
1 1 1 14 35 61 o 0.8261000      1.364000      ?             ?      
1 1 1 14 35 62 o 3.225000       1.516000      ?             ?      
1 1 1 14 35 63 o -0.1599000     1.507000      ?             ?      
1 1 1 14 36 0  o -0.2938000     1.097000      0.5087992     180.0  
1 1 1 14 36 1  o 1.092000       0.7559000     142.7201      -20.3  
1 1 1 14 36 2  o 1.680000       0.7596000     125.5222      115.9  
1 1 1 14 36 3  o 0.3434000E-01  0.7668000     40.51592      -160.8 
1 1 1 14 36 4  o 13.18000       0.9625000     566.0696      -48.9  
1 1 1 14 36 5  o 4.112000       0.8066000     182.7763      -10.2  
1 1 1 14 36 6  o 8.840000       0.8440000     370.3168      61.8   
1 1 1 14 36 7  o 3.734000       0.8173000     212.4574      80.7   
1 1 1 14 36 8  o 21.35000       1.067000      583.4636      49.0   
1 1 1 14 36 9  o 1.023000       0.9635000     175.8620      -158.0 
1 1 1 14 36 10 o 4.320000       1.040000      315.2126      80.1   
1 1 1 14 36 11 o -0.5180000     1.110000      175.9262      80.1   
1 1 1 14 36 12 o 5.967000       1.624000      318.1987      74.0   
1 1 1 14 36 13 o 6.669000       1.589000      202.6640      160.3  
1 1 1 14 36 14 o 1.900000       1.143000      77.00406      -170.2 
1 1 1 14 36 15 o 7.591000       1.191000      165.7351      -146.0 
1 1 1 14 36 16 o 0.3607000      1.154000      193.6027      130.6  
1 1 1 14 36 17 o 3.738000       1.137000      308.2720      -144.0 
1 1 1 14 36 18 o 1.954000       1.137000      182.8414      -128.6 
1 1 1 14 36 19 o 9.360000       1.223000      503.1391      -138.8 
1 1 1 14 36 20 o 14.18000       1.308000      588.2543      11.1   
1 1 1 14 36 21 o 0.8530000      1.016000      109.8760      148.2  
1 1 1 14 36 22 o 2.870000       1.037000      178.3786      -20.3  
1 1 1 14 36 23 o 2.118000       1.038000      172.1966      -133.0 
1 1 1 14 36 24 o 1.278000       1.038000      219.7762      -86.0  
1 1 1 14 36 25 o 3.817000       1.033000      184.3932      -18.9  
1 1 1 14 36 26 o 10.16000       1.295000      452.3064      -54.5  
1 1 1 14 36 27 o 0.5668000      0.9677000     17.99001      -168.4 
1 1 1 14 36 28 o 1.543000       1.115000      73.91450      -177.8 
1 1 1 14 36 29 o 2.402000       1.160000      187.8055      97.9   
1 1 1 14 36 30 o 4.335000       1.223000      375.4710      158.7  
1 1 1 14 36 31 o 1.859000       0.8894000     162.6950      -127.8 
1 1 1 14 36 32 o 1.097000       0.8752000     35.96329      2.9    
1 1 1 14 36 33 o 0.6944000      0.9209000     137.1110      -22.8  
1 1 1 14 36 34 o -0.9486000     0.9462000     185.0326      -145.6 
1 1 1 14 36 35 o 8.448000       1.156000      341.5504      -59.9  
1 1 1 14 36 36 o 1.636000       1.034000      96.39022      -81.4  
1 1 1 14 36 37 o 1.979000       1.111000      216.8871      -6.1   
1 1 1 14 36 38 o 2.725000       1.133000      294.5998      153.9  
1 1 1 14 36 39 o -1.350000      1.088000      48.62265      -70.1  
1 1 1 14 36 40 o 1.233000       1.100000      98.10935      -172.7 
1 1 1 14 36 41 o 5.160000       1.270000      341.9845      17.1   
1 1 1 14 36 42 o 0.4205000E-02  1.107000      177.3176      -119.9 
1 1 1 14 36 43 o 0.2456000      1.245000      ?             ?      
1 1 1 14 36 44 o -0.3294000     1.346000      ?             ?      
1 1 1 14 36 45 o -1.437000      1.520000      ?             ?      
1 1 1 14 36 46 o 2.319000       1.532000      ?             ?      
1 1 1 14 36 47 o 3.730000       1.194000      ?             ?      
1 1 1 14 36 48 o -1.230000      1.170000      ?             ?      
1 1 1 14 36 49 o -1.189000      1.452000      ?             ?      
1 1 1 14 36 50 o 3.420000       1.432000      ?             ?      
1 1 1 14 36 51 o -1.385000      1.341000      ?             ?      
1 1 1 14 36 52 o 1.057000       1.145000      ?             ?      
1 1 1 14 36 53 o -1.378000      1.146000      ?             ?      
1 1 1 14 36 54 o 0.6263000      1.165000      ?             ?      
1 1 1 14 36 55 o 1.113000       1.189000      ?             ?      
1 1 1 14 36 56 o 2.335000       1.207000      ?             ?      
1 1 1 14 36 57 o -0.5264000     1.155000      ?             ?      
1 1 1 14 36 58 o 2.800000       1.251000      ?             ?      
1 1 1 14 36 59 o -2.876000      1.282000      ?             ?      
1 1 1 14 36 60 o -1.373000      1.411000      ?             ?      
1 1 1 14 36 61 o 2.635000       1.277000      ?             ?      
1 1 1 14 36 62 o -0.4794000     1.376000      ?             ?      
1 1 1 14 37 0  o 2.847000       1.132000      70.99355      0.0    
1 1 1 14 37 1  o 8.224000       0.8135000     396.8113      -15.7  
1 1 1 14 37 2  o 17.38000       0.9080000     669.1779      77.0   
1 1 1 14 37 3  o 25.14000       1.008000      745.4645      101.9  
1 1 1 14 37 4  o 2.257000       0.7889000     230.7227      -92.2  
1 1 1 14 37 5  o -0.3409000     0.7920000     56.23746      -146.5 
1 1 1 14 37 6  o 11.47000       0.8729000     582.3076      100.4  
1 1 1 14 37 7  o 10.93000       1.004000      421.4311      43.1   
1 1 1 14 37 8  o 2.130000       0.9009000     122.9912      -101.3 
1 1 1 14 37 9  o 13.54000       1.064000      425.9268      131.8  
1 1 1 14 37 10 o 11.90000       1.140000      671.3948      -99.4  
1 1 1 14 37 11 o 13.09000       1.241000      512.1576      111.7  
1 1 1 14 37 12 o 9.729000       1.696000      427.0448      -138.0 
1 1 1 14 37 13 o 10.37000       1.679000      457.0260      -121.1 
1 1 1 14 37 14 o 1.182000       1.175000      197.1994      54.5   
1 1 1 14 37 15 o -1.482000      1.122000      111.9048      -103.2 
1 1 1 14 37 16 o 4.765000       1.160000      281.3123      43.6   
1 1 1 14 37 17 o 2.057000       1.143000      225.8443      -11.9  
1 1 1 14 37 18 o 18.03000       1.308000      679.0924      88.9   
1 1 1 14 37 19 o 12.05000       1.229000      439.3818      130.5  
1 1 1 14 37 20 o 15.81000       1.308000      478.7788      -61.5  
1 1 1 14 37 21 o 3.010000       1.165000      216.5267      -25.3  
1 1 1 14 37 22 o 3.394000       1.027000      335.6855      -60.0  
1 1 1 14 37 23 o 0.9507000      1.017000      51.36035      -154.3 
1 1 1 14 37 24 o 22.18000       1.524000      483.3779      95.4   
1 1 1 14 37 25 o 4.485000       1.085000      266.4742      27.1   
1 1 1 14 37 26 o 0.4381000E-01  1.065000      101.4204      49.0   
1 1 1 14 37 27 o 6.677000       1.199000      376.5056      -98.1  
1 1 1 14 37 28 o 1.779000       1.163000      92.70969      21.5   
1 1 1 14 37 29 o 1.367000       1.134000      82.60862      1.9    
1 1 1 14 37 30 o -0.2903000     1.227000      231.2637      -48.5  
1 1 1 14 37 31 o 4.683000       1.231000      379.7193      -98.8  
1 1 1 14 37 32 o 13.05000       1.627000      410.8292      88.6   
1 1 1 14 37 33 o 1.104000       1.169000      125.3003      28.6   
1 1 1 14 37 34 o 6.510000       1.018000      370.2003      5.1    
1 1 1 14 37 35 o 3.133000       1.068000      237.5287      -59.3  
1 1 1 14 37 36 o 1.208000       0.9835000     121.2797      -108.2 
1 1 1 14 37 37 o 2.419000       1.086000      261.5876      152.6  
1 1 1 14 37 38 o 4.152000       1.185000      319.2086      -6.7   
1 1 1 14 37 39 o 7.201000       1.206000      391.9540      -99.7  
1 1 1 14 37 40 o 2.366000       1.025000      290.2846      65.9   
1 1 1 14 37 41 o 0.1055000E-01  1.014000      76.58289      -38.6  
1 1 1 14 37 42 o 2.850000       1.102000      ?             ?      
1 1 1 14 37 43 o 2.312000       1.088000      ?             ?      
1 1 1 14 37 44 o 10.24000       1.421000      ?             ?      
1 1 1 14 37 45 o 3.691000       1.699000      ?             ?      
1 1 1 14 37 46 o 4.179000       1.372000      ?             ?      
1 1 1 14 37 47 o 0.1447000      1.173000      ?             ?      
1 1 1 14 37 48 o 0.2761000E-01  1.079000      ?             ?      
1 1 1 14 37 49 o 1.180000       1.104000      ?             ?      
1 1 1 14 37 50 o 8.907000       1.368000      ?             ?      
1 1 1 14 37 51 o 2.006000       1.557000      ?             ?      
1 1 1 14 37 52 o 0.3621000      1.309000      ?             ?      
1 1 1 14 37 53 o 3.123000       1.124000      ?             ?      
1 1 1 14 37 54 o 4.233000       1.162000      ?             ?      
1 1 1 14 37 55 o 1.306000       1.170000      ?             ?      
1 1 1 14 37 56 o -1.656000      1.180000      ?             ?      
1 1 1 14 37 57 o -0.1001000     1.205000      ?             ?      
1 1 1 14 37 58 o 1.462000       1.290000      ?             ?      
1 1 1 14 37 59 f 1.677000       1.364000      ?             ?      
1 1 1 14 37 60 o -1.423000      1.313000      ?             ?      
1 1 1 14 37 61 o -0.8934000     1.667000      ?             ?      
1 1 1 14 38 0  o 1.518000       1.093000      74.12912      -180.0 
1 1 1 14 38 1  o 1.236000       0.7744000     154.2152      -153.5 
1 1 1 14 38 2  o 4.206000       0.7907000     162.8673      40.9   
1 1 1 14 38 3  o 0.3900000      0.7919000     124.4807      80.6   
1 1 1 14 38 4  o 23.84000       1.016000      631.5024      130.4  
1 1 1 14 38 5  o 0.7071000      0.7984000     96.17539      -174.8 
1 1 1 14 38 6  o 2.310000       0.8216000     162.8500      -135.4 
1 1 1 14 38 7  o 0.7850000      0.8720000     213.0090      -91.1  
1 1 1 14 38 8  o 11.17000       1.017000      379.4638      127.8  
1 1 1 14 38 9  o -0.1863000     0.9023000     149.1060      119.6  
1 1 1 14 38 10 o 2.638000       1.041000      168.7425      -50.0  
1 1 1 14 38 11 o 5.114000       1.590000      240.7367      4.3    
1 1 1 14 38 12 o -1.891000      1.607000      228.6741      132.8  
1 1 1 14 38 13 o 4.611000       1.188000      270.0923      33.6   
1 1 1 14 38 14 o 1.824000       1.145000      54.41815      -18.7  
1 1 1 14 38 15 o 4.969000       1.162000      292.1240      -164.5 
1 1 1 14 38 16 o 10.86000       1.237000      482.6367      26.7   
1 1 1 14 38 17 o 28.73000       1.452000      742.1112      -125.8 
1 1 1 14 38 18 o 11.05000       1.251000      492.0340      -140.7 
1 1 1 14 38 19 o 1.925000       1.177000      100.3896      -85.3  
1 1 1 14 38 20 o 20.19000       1.384000      643.3535      -7.7   
1 1 1 14 38 21 o -0.3581000     1.200000      9.542415      7.7    
1 1 1 14 38 22 o 13.73000       1.331000      379.0009      -151.4 
1 1 1 14 38 23 o 3.898000       1.053000      307.4087      -69.0  
1 1 1 14 38 24 o 7.147000       1.110000      484.0624      -98.8  
1 1 1 14 38 25 o 10.18000       1.142000      377.2885      135.6  
1 1 1 14 38 26 o 12.61000       1.363000      499.9139      -8.7   
1 1 1 14 38 27 o 1.467000       1.273000      185.2106      173.1  
1 1 1 14 38 28 o 1.195000       1.136000      95.20451      -179.3 
1 1 1 14 38 29 o 0.9624000      1.273000      171.5366      -172.3 
1 1 1 14 38 30 o 2.054000       1.275000      274.8701      -131.3 
1 1 1 14 38 31 o 6.628000       1.171000      343.9731      14.5   
1 1 1 14 38 32 o 8.456000       1.203000      439.3565      136.1  
1 1 1 14 38 33 o 1.240000       1.161000      131.2956      145.2  
1 1 1 14 38 34 o 5.385000       1.031000      314.4657      -7.9   
1 1 1 14 38 35 o 3.452000       1.046000      276.3559      -1.2   
1 1 1 14 38 36 o -1.175000      1.065000      184.7870      126.6  
1 1 1 14 38 37 o 0.8162000      1.109000      64.37167      -6.8   
1 1 1 14 38 38 o 2.000000       1.011000      204.9684      29.8   
1 1 1 14 38 39 f 4.408000       1.033000      352.3688      63.0   
1 1 1 14 38 40 o 1.493000       1.011000      ?             ?      
1 1 1 14 38 41 o 1.381000       1.007000      ?             ?      
1 1 1 14 38 42 o 2.358000       1.008000      ?             ?      
1 1 1 14 38 43 o 1.009000       1.065000      ?             ?      
1 1 1 14 38 44 o 2.050000       1.203000      ?             ?      
1 1 1 14 38 45 o 0.7138000      1.446000      ?             ?      
1 1 1 14 38 46 o 1.340000       1.365000      ?             ?      
1 1 1 14 38 47 o 1.962000       1.176000      ?             ?      
1 1 1 14 38 48 o 1.872000       1.071000      ?             ?      
1 1 1 14 38 49 o -0.6719000E-01 1.072000      ?             ?      
1 1 1 14 38 50 o 1.224000       1.093000      ?             ?      
1 1 1 14 38 51 o -0.8376000     1.507000      ?             ?      
1 1 1 14 38 52 o -0.5740000     1.379000      ?             ?      
1 1 1 14 38 53 o 3.689000       1.274000      ?             ?      
1 1 1 14 38 54 f 0.2118000      1.192000      ?             ?      
1 1 1 14 38 55 o 1.535000       1.204000      ?             ?      
1 1 1 14 38 56 o -0.3947000E-01 1.203000      ?             ?      
1 1 1 14 38 57 o 0.2718000      1.149000      ?             ?      
1 1 1 14 38 58 o -1.446000      1.280000      ?             ?      
1 1 1 14 38 59 o 1.683000       1.471000      ?             ?      
1 1 1 14 38 60 o -0.9167000E-01 1.295000      ?             ?      
1 1 1 14 39 0  o 7.252000       1.165000      378.0622      -0.0   
1 1 1 14 39 1  o -0.2859000E-01 0.7780000     33.38660      68.6   
1 1 1 14 39 2  o 4.024000       0.7906000     371.8226      119.8  
1 1 1 14 39 3  o 7.488000       0.8381000     380.2412      -153.8 
1 1 1 14 39 4  o 9.536000       0.9324000     423.8213      -70.4  
1 1 1 14 39 5  o 8.147000       0.8505000     472.2015      -141.1 
1 1 1 14 39 6  o 5.124000       0.8808000     380.8204      27.7   
1 1 1 14 39 7  o 0.5859000      0.9050000     48.97151      -31.3  
1 1 1 14 39 8  o -0.8859000E-01 0.8973000     71.25632      -75.8  
1 1 1 14 39 9  o 7.999000       0.9382000     441.1846      178.6  
1 1 1 14 39 10 o 13.62000       1.204000      590.5776      -88.8  
1 1 1 14 39 11 o 5.193000       1.670000      278.0727      84.6   
1 1 1 14 39 12 o 17.47000       1.898000      613.7697      -129.7 
1 1 1 14 39 13 o 5.246000       1.178000      239.7586      155.9  
1 1 1 14 39 14 o 1.809000       1.155000      110.5395      54.3   
1 1 1 14 39 15 o 2.227000       1.175000      185.0280      -125.4 
1 1 1 14 39 16 o 19.48000       1.326000      592.6694      -4.3   
1 1 1 14 39 17 o -1.271000      1.140000      46.17916      89.1   
1 1 1 14 39 18 o 11.97000       1.263000      602.6054      71.3   
1 1 1 14 39 19 o 8.123000       1.270000      355.7820      -54.1  
1 1 1 14 39 20 o 4.758000       1.255000      339.3092      -10.4  
1 1 1 14 39 21 o 3.876000       1.243000      259.0632      -158.0 
1 1 1 14 39 22 o 0.9964000      1.215000      38.42762      -94.5  
1 1 1 14 39 23 o 3.834000       1.248000      318.2192      -44.7  
1 1 1 14 39 24 o 3.529000       1.099000      270.0916      126.7  
1 1 1 14 39 25 o 3.544000       1.127000      218.7388      63.5   
1 1 1 14 39 26 o -0.4428000     1.299000      159.7626      -120.2 
1 1 1 14 39 27 o 0.7532000      1.297000      182.5868      0.9    
1 1 1 14 39 28 o 18.51000       1.687000      464.4236      -45.5  
1 1 1 14 39 29 o 5.009000       1.433000      306.4092      -96.5  
1 1 1 14 39 30 o 0.6713000      1.335000      238.6013      108.0  
1 1 1 14 39 31 o 2.708000       1.231000      299.5664      -87.8  
1 1 1 14 39 32 o 0.1738000      1.354000      191.4504      106.2  
1 1 1 14 39 33 o 0.4831000      1.202000      154.9130      15.4   
1 1 1 14 39 34 o -0.3126000     1.659000      171.4449      32.6   
1 1 1 14 39 35 o 2.315000       0.9522000     285.0043      -76.3  
1 1 1 14 39 36 o 8.348000       1.034000      480.9131      90.7   
1 1 1 14 39 37 o 4.725000       0.9971000     376.4369      102.6  
1 1 1 14 39 38 o 8.336000       1.094000      499.4560      -95.7  
1 1 1 14 39 39 o 2.649000       0.9789000     ?             ?      
1 1 1 14 39 40 o 2.125000       0.9766000     ?             ?      
1 1 1 14 39 41 o -0.4357000E-01 0.9800000     ?             ?      
1 1 1 14 39 42 o -0.3458000     0.9864000     ?             ?      
1 1 1 14 39 43 o 5.949000       1.062000      ?             ?      
1 1 1 14 39 44 o 1.954000       1.102000      ?             ?      
1 1 1 14 39 45 o -0.5938000     1.257000      ?             ?      
1 1 1 14 39 46 o 2.730000       1.301000      ?             ?      
1 1 1 14 39 47 o 0.9649000      1.288000      ?             ?      
1 1 1 14 39 48 o -0.5339000E-01 1.152000      ?             ?      
1 1 1 14 39 49 o 3.617000       1.093000      ?             ?      
1 1 1 14 39 50 o 0.3480000      1.075000      ?             ?      
1 1 1 14 39 51 o 2.792000       1.254000      ?             ?      
1 1 1 14 39 52 o 0.9882000      1.232000      ?             ?      
1 1 1 14 39 53 o 5.620000       1.406000      ?             ?      
1 1 1 14 39 54 o -1.604000      1.259000      ?             ?      
1 1 1 14 39 55 o 0.6534000      1.112000      ?             ?      
1 1 1 14 39 56 o 0.7143000      1.132000      ?             ?      
1 1 1 14 39 57 o 0.6437000      1.205000      ?             ?      
1 1 1 14 39 58 o 1.992000       1.414000      ?             ?      
1 1 1 14 39 59 o 0.6388000      1.311000      ?             ?      
1 1 1 14 39 60 o 0.7827000      2.571000      ?             ?      
1 1 1 14 40 0  o 1.323000       1.121000      212.9063      180.0  
1 1 1 14 40 1  o 3.093000       0.7954000     262.4484      -6.6   
1 1 1 14 40 2  o 9.247000       0.8433000     477.9977      -8.3   
1 1 1 14 40 3  o 19.11000       0.9823000     644.5018      141.9  
1 1 1 14 40 4  o 6.541000       0.8324000     317.0077      44.9   
1 1 1 14 40 5  o 6.443000       0.8353000     400.8091      -106.7 
1 1 1 14 40 6  o 1.330000       1.066000      357.6344      -99.1  
1 1 1 14 40 7  o 25.00000       1.206000      662.2394      93.2   
1 1 1 14 40 8  o 3.422000       0.9055000     354.5926      -143.6 
1 1 1 14 40 9  o 6.731000       0.8778000     378.0783      -54.9  
1 1 1 14 40 10 o 5.767000       1.139000      353.6510      -173.2 
1 1 1 14 40 11 o -2.663000      1.653000      228.0448      61.0   
1 1 1 14 40 12 o -0.6634000     1.200000      80.57687      61.6   
1 1 1 14 40 13 o 0.7270000      1.149000      135.9536      90.0   
1 1 1 14 40 14 o 9.171000       1.064000      270.6311      -38.6  
1 1 1 14 40 15 o 5.350000       1.205000      255.6674      74.7   
1 1 1 14 40 16 o 1.458000       1.165000      337.3100      -55.9  
1 1 1 14 40 17 o 1.631000       1.177000      183.6515      160.8  
1 1 1 14 40 18 o 3.684000       1.218000      225.6425      -133.1 
1 1 1 14 40 19 o 3.821000       1.231000      251.3504      -169.6 
1 1 1 14 40 20 o 29.09000       1.555000      740.0746      -8.3   
1 1 1 14 40 21 o 0.1176000      1.232000      119.1528      -109.4 
1 1 1 14 40 22 o 6.084000       1.297000      202.0916      11.2   
1 1 1 14 40 23 o 2.445000       1.287000      196.9465      -75.3  
1 1 1 14 40 24 o 4.922000       1.338000      220.5424      -111.8 
1 1 1 14 40 25 o 11.70000       1.196000      363.0007      -131.3 
1 1 1 14 40 26 o 7.598000       1.364000      450.3762      42.2   
1 1 1 14 40 27 o 2.569000       1.329000      169.4517      18.8   
1 1 1 14 40 28 o 2.446000       1.504000      259.6698      -96.4  
1 1 1 14 40 29 o -1.168000      1.472000      207.0907      128.5  
1 1 1 14 40 30 o 0.8917000      1.304000      411.6867      14.1   
1 1 1 14 40 31 f 3.032000       1.580000      258.4452      45.4   
1 1 1 14 40 32 o 13.77000       1.743000      506.7490      142.1  
1 1 1 14 40 33 o 4.273000       1.282000      277.5400      -20.9  
1 1 1 14 40 34 o 8.809000       1.260000      423.9060      -35.9  
1 1 1 14 40 35 o 7.260000       1.324000      497.4899      -164.5 
1 1 1 14 40 36 o 7.409000       0.9811000     419.1708      -153.8 
1 1 1 14 40 37 o 13.98000       1.157000      574.9048      -33.1  
1 1 1 14 40 38 o 0.6499000      0.9428000     ?             ?      
1 1 1 14 40 39 o 3.842000       0.9684000     ?             ?      
1 1 1 14 40 40 o 1.869000       0.9534000     ?             ?      
1 1 1 14 40 41 o 2.418000       0.9479000     ?             ?      
1 1 1 14 40 42 o 0.9214000      1.030000      ?             ?      
1 1 1 14 40 43 o 3.527000       1.116000      ?             ?      
1 1 1 14 40 44 o 4.440000       1.118000      ?             ?      
1 1 1 14 40 45 o -0.4525000     0.9821000     ?             ?      
1 1 1 14 40 46 o 1.218000       1.170000      ?             ?      
1 1 1 14 40 47 o -0.6819000E-01 1.282000      ?             ?      
1 1 1 14 40 48 o 7.864000       1.252000      ?             ?      
1 1 1 14 40 50 o -0.5072000     1.069000      ?             ?      
1 1 1 14 40 51 o 0.3755000      1.055000      ?             ?      
1 1 1 14 40 52 o 0.4664000      1.223000      ?             ?      
1 1 1 14 40 53 o 0.1511000      1.254000      ?             ?      
1 1 1 14 40 54 o 3.919000       1.402000      ?             ?      
1 1 1 14 40 55 o -0.5223000     1.265000      ?             ?      
1 1 1 14 40 56 o 2.169000       1.200000      ?             ?      
1 1 1 14 40 57 o 5.314000       1.295000      ?             ?      
1 1 1 14 40 58 o 2.388000       1.409000      ?             ?      
1 1 1 14 40 59 o -0.2753000     1.232000      ?             ?      
1 1 1 14 41 0  o 13.45000       1.274000      519.1294      0.0    
1 1 1 14 41 1  o -0.1296000     0.7970000     119.2782      52.8   
1 1 1 14 41 2  o 7.238000       0.8248000     310.5824      140.0  
1 1 1 14 41 3  o 3.853000       0.8251000     349.2430      -102.0 
1 1 1 14 41 4  o 6.000000       0.8438000     409.3355      -75.0  
1 1 1 14 41 5  o 1.074000       0.8450000     121.9790      151.7  
1 1 1 14 41 6  o 4.776000       0.9768000     448.0326      158.1  
1 1 1 14 41 7  o 2.465000       0.8860000     282.2130      -66.2  
1 1 1 14 41 8  o 13.20000       1.029000      487.9480      -126.0 
1 1 1 14 41 9  o 4.233000       0.8725000     230.9516      -115.1 
1 1 1 14 41 10 o 1.619000       1.294000      350.8930      147.1  
1 1 1 14 41 11 o 2.513000       1.714000      245.7771      -71.1  
1 1 1 14 41 12 o 4.987000       1.261000      325.8492      174.4  
1 1 1 14 41 13 o 2.319000       1.183000      210.6468      94.0   
1 1 1 14 41 14 o -0.9818000     1.013000      186.1668      79.8   
1 1 1 14 41 15 o 9.585000       1.273000      478.7352      -179.9 
1 1 1 14 41 16 o 6.413000       1.223000      464.6959      110.0  
1 1 1 14 41 17 o 0.8505000      1.214000      106.3449      -15.4  
1 1 1 14 41 18 o 5.981000       1.254000      449.6759      74.3   
1 1 1 14 41 19 o 0.8031000      1.234000      227.1204      -35.6  
1 1 1 14 41 20 o -1.114000      1.219000      8.895638      72.4   
1 1 1 14 41 21 o 24.19000       1.492000      711.1492      171.7  
1 1 1 14 41 22 o 6.372000       1.340000      456.3426      77.4   
1 1 1 14 41 23 o 1.342000       1.331000      234.4325      -116.5 
1 1 1 14 41 24 o -1.366000      1.337000      100.0896      132.3  
1 1 1 14 41 25 o 8.295000       1.940000      386.5003      140.4  
1 1 1 14 41 26 o 14.32000       2.106000      495.1110      -49.4  
1 1 1 14 41 27 o 3.766000       1.350000      163.3591      126.1  
1 1 1 14 41 28 o 5.349000       2.199000      207.1233      -102.4 
1 1 1 14 41 29 o 2.990000       2.189000      250.0303      104.4  
1 1 1 14 41 30 o 0.5320000      1.201000      208.1485      128.9  
1 1 1 14 41 31 o 0.8449000E-01  1.231000      247.2998      14.5   
1 1 1 14 41 32 o 17.70000       1.410000      678.2584      95.6   
1 1 1 14 41 33 o 2.905000       1.208000      270.4344      -73.2  
1 1 1 14 41 34 o 0.9362000      1.209000      196.5939      46.4   
1 1 1 14 41 35 o 6.379000       1.247000      442.4116      24.8   
1 1 1 14 41 36 o 1.178000       1.204000      ?             ?      
1 1 1 14 41 37 o -0.6655000     1.011000      ?             ?      
1 1 1 14 41 38 o 6.872000       0.9824000     ?             ?      
1 1 1 14 41 39 o 1.480000       0.9245000     ?             ?      
1 1 1 14 41 40 o 0.3430000      0.9157000     ?             ?      
1 1 1 14 41 41 o -0.3123000     0.9323000     ?             ?      
1 1 1 14 41 42 o 2.618000       0.9591000     ?             ?      
1 1 1 14 41 43 o 3.912000       1.060000      ?             ?      
1 1 1 14 41 44 o 1.021000       0.9720000     ?             ?      
1 1 1 14 41 45 o 1.968000       0.9527000     ?             ?      
1 1 1 14 41 46 o -0.1486000     0.9414000     ?             ?      
1 1 1 14 41 47 o 4.347000       1.134000      ?             ?      
1 1 1 14 41 48 o 4.604000       1.323000      ?             ?      
1 1 1 14 41 49 o -0.5303000     1.189000      ?             ?      
1 1 1 14 41 50 o -0.1778000     1.062000      ?             ?      
1 1 1 14 41 51 o 0.8202000E-01  1.068000      ?             ?      
1 1 1 14 41 52 o 1.165000       1.078000      ?             ?      
1 1 1 14 41 53 o 0.4398000E-02  1.233000      ?             ?      
1 1 1 14 41 54 o 0.6372000      1.279000      ?             ?      
1 1 1 14 41 55 o 0.4918000      1.261000      ?             ?      
1 1 1 14 41 56 o 2.132000       1.195000      ?             ?      
1 1 1 14 41 57 o -0.1750000     1.368000      ?             ?      
1 1 1 14 41 58 o 2.003000       1.315000      ?             ?      
1 1 1 14 42 0  o 0.1342000      1.182000      129.2677      -0.0   
1 1 1 14 42 1  o 7.721000       0.8810000     403.8636      46.3   
1 1 1 14 42 2  o 3.564000       0.8382000     265.7261      20.6   
1 1 1 14 42 3  o 8.278000       0.8745000     490.7495      -174.0 
1 1 1 14 42 4  o 16.64000       1.035000      629.7402      -15.5  
1 1 1 14 42 5  o 9.332000       1.064000      568.1292      138.1  
1 1 1 14 42 6  o 6.194000       0.9828000     278.5443      91.4   
1 1 1 14 42 7  o 4.911000       0.9434000     248.9446      -93.8  
1 1 1 14 42 8  o 3.410000       0.7947000     346.2429      -78.8  
1 1 1 14 42 9  o -0.3665000     0.9468000     124.6729      -109.1 
1 1 1 14 42 10 o 4.661000       1.273000      449.0744      82.4   
1 1 1 14 42 11 o 0.4752000      1.739000      58.85931      51.9   
1 1 1 14 42 12 o -0.3536000     1.208000      23.28764      -110.3 
1 1 1 14 42 13 o 1.563000       1.213000      161.6783      -25.9  
1 1 1 14 42 14 o 3.803000       1.048000      451.7936      -91.6  
1 1 1 14 42 15 o 20.34000       1.434000      668.2280      175.5  
1 1 1 14 42 16 o 2.194000       1.254000      155.5397      -68.3  
1 1 1 14 42 17 o 24.35000       1.483000      723.5980      145.8  
1 1 1 14 42 18 o 2.165000       1.275000      299.5585      -38.7  
1 1 1 14 42 19 o 11.48000       1.320000      490.3549      -135.2 
1 1 1 14 42 20 o 7.629000       1.300000      312.8888      -106.4 
1 1 1 14 42 21 o 12.60000       1.382000      553.7852      -172.1 
1 1 1 14 42 22 o 5.417000       1.447000      343.8439      -15.4  
1 1 1 14 42 23 o 10.19000       1.542000      490.3929      -122.2 
1 1 1 14 42 24 o 6.990000       1.571000      423.8641      -65.8  
1 1 1 14 42 25 o 8.175000       2.035000      357.4361      121.7  
1 1 1 14 42 26 o 5.579000       1.577000      391.5638      -29.0  
1 1 1 14 42 27 o 3.996000       2.216000      234.3134      68.5   
1 1 1 14 42 28 o 4.544000       1.442000      385.0716      -150.8 
1 1 1 14 42 29 o 4.475000       1.250000      298.5298      96.5   
1 1 1 14 42 30 o 2.074000       1.220000      215.5949      173.1  
1 1 1 14 42 31 o 5.674000       1.291000      301.8847      168.8  
1 1 1 14 42 32 o 5.170000       1.248000      367.5990      139.3  
1 1 1 14 42 33 o 3.962000       1.196000      340.4505      -131.3 
1 1 1 14 42 34 o -0.2625000     1.173000      183.7359      -29.0  
1 1 1 14 42 35 o 14.68000       1.357000      ?             ?      
1 1 1 14 42 36 o 3.489000       1.253000      ?             ?      
1 1 1 14 42 37 o 3.266000       1.210000      ?             ?      
1 1 1 14 42 38 o 9.421000       1.332000      ?             ?      
1 1 1 14 42 39 o 0.2246000      0.8812000     ?             ?      
1 1 1 14 42 40 o 3.274000       0.9052000     ?             ?      
1 1 1 14 42 41 o 1.137000       0.9180000     ?             ?      
1 1 1 14 42 42 o 1.002000       1.039000      ?             ?      
1 1 1 14 42 43 o 8.528000       1.129000      ?             ?      
1 1 1 14 42 44 o 0.7803000      0.9490000     ?             ?      
1 1 1 14 42 45 o 0.8269000      0.9283000     ?             ?      
1 1 1 14 42 46 o 4.706000       0.9599000     ?             ?      
1 1 1 14 42 47 o 1.283000       0.9581000     ?             ?      
1 1 1 14 42 48 o 0.4256000E-01  1.159000      ?             ?      
1 1 1 14 42 49 o 4.516000       1.222000      ?             ?      
1 1 1 14 42 50 o 3.772000       1.178000      ?             ?      
1 1 1 14 42 51 o 1.023000       1.048000      ?             ?      
1 1 1 14 42 52 o 0.2432000      1.069000      ?             ?      
1 1 1 14 42 53 o 1.120000       1.103000      ?             ?      
1 1 1 14 42 54 o -0.7868000     1.258000      ?             ?      
1 1 1 14 42 55 o -0.6320000     1.391000      ?             ?      
1 1 1 14 42 56 o 3.817000       1.661000      ?             ?      
1 1 1 14 42 57 o -1.808000      1.357000      ?             ?      
1 1 1 14 43 0  o 1.419000       1.258000      166.9073      180.0  
1 1 1 14 43 1  o 3.556000       0.8890000     245.4220      76.4   
1 1 1 14 43 2  o 8.811000       0.9217000     408.6791      -147.2 
1 1 1 14 43 3  o 2.566000       0.8592000     281.9427      -22.4  
1 1 1 14 43 4  o 8.091000       0.9670000     436.8908      -147.3 
1 1 1 14 43 5  o 0.5622000      0.9472000     341.3506      135.2  
1 1 1 14 43 6  o 9.429000       1.039000      600.5745      -118.3 
1 1 1 14 43 7  o 0.4597000      0.7897000     35.33868      -157.2 
1 1 1 14 43 8  o 5.616000       0.8453000     516.7579      151.6  
1 1 1 14 43 9  o 1.723000       0.8634000     245.2004      168.4  
1 1 1 14 43 10 o 0.1586000E-01  1.180000      137.4538      -23.4  
1 1 1 14 43 11 o -0.6715000     1.245000      186.5720      -174.8 
1 1 1 14 43 12 o 4.244000       1.269000      351.4142      77.9   
1 1 1 14 43 13 o 8.216000       1.287000      473.8880      -47.7  
1 1 1 14 43 14 o 6.007000       1.285000      296.6092      166.5  
1 1 1 14 43 15 o 4.457000       1.265000      452.5476      -150.5 
1 1 1 14 43 16 o 1.750000       1.265000      147.8187      98.3   
1 1 1 14 43 17 o 5.382000       1.292000      356.1310      49.6   
1 1 1 14 43 18 o 3.479000       1.298000      299.9146      -34.2  
1 1 1 14 43 19 o 10.60000       1.467000      433.8765      -87.6  
1 1 1 14 43 20 o 6.909000       1.472000      375.5775      -115.6 
1 1 1 14 43 21 o 3.511000       1.411000      237.0458      71.8   
1 1 1 14 43 22 o 11.06000       1.513000      524.3176      21.6   
1 1 1 14 43 23 o 4.149000       1.498000      267.6447      -155.7 
1 1 1 14 43 24 o 3.227000       1.991000      160.2492      156.3  
1 1 1 14 43 25 o 3.352000       2.052000      168.3813      83.9   
1 1 1 14 43 26 o 9.863000       1.642000      415.3381      -90.0  
1 1 1 14 43 27 o 16.57000       2.348000      596.8304      52.4   
1 1 1 14 43 28 o 4.508000       2.238000      389.4811      -103.2 
1 1 1 14 43 29 o 12.02000       1.303000      542.8374      -45.4  
1 1 1 14 43 30 o 0.6720000      1.251000      154.8998      69.8   
1 1 1 14 43 31 o 0.4241000      1.191000      67.09631      169.5  
1 1 1 14 43 32 o 0.5167000      1.184000      87.76643      0.8    
1 1 1 14 43 33 o 1.050000       1.170000      ?             ?      
1 1 1 14 43 34 o 14.56000       1.363000      ?             ?      
1 1 1 14 43 35 o 0.7462000      1.180000      ?             ?      
1 1 1 14 43 36 o 7.827000       1.263000      ?             ?      
1 1 1 14 43 37 o 9.076000       1.287000      ?             ?      
1 1 1 14 43 38 o -0.3026000     1.155000      ?             ?      
1 1 1 14 43 39 o 3.776000       1.253000      ?             ?      
1 1 1 14 43 40 o -0.1391000     0.8624000     ?             ?      
1 1 1 14 43 41 o 6.630000       0.9587000     ?             ?      
1 1 1 14 43 42 o 0.7028000      0.9919000     ?             ?      
1 1 1 14 43 43 o 4.227000       0.9482000     ?             ?      
1 1 1 14 43 44 o -0.9469000     0.9060000     ?             ?      
1 1 1 14 43 45 o 0.7638000      0.8859000     ?             ?      
1 1 1 14 43 46 f 1.213000       0.9201000     ?             ?      
1 1 1 14 43 47 o 1.953000       0.9357000     ?             ?      
1 1 1 14 43 48 o 5.981000       1.096000      ?             ?      
1 1 1 14 43 49 o 2.248000       1.158000      ?             ?      
1 1 1 14 43 50 o -1.676000      1.165000      ?             ?      
1 1 1 14 43 51 o 0.5183000      1.148000      ?             ?      
1 1 1 14 43 52 o 2.706000       1.070000      ?             ?      
1 1 1 14 43 53 o 1.562000       1.090000      ?             ?      
1 1 1 14 43 54 o 2.146000       1.106000      ?             ?      
1 1 1 14 43 55 o -0.1507000     1.295000      ?             ?      
1 1 1 14 43 56 o 3.768000       1.955000      ?             ?      
1 1 1 14 44 0  o 8.944000       1.337000      374.1861      -0.0   
1 1 1 14 44 1  o 2.053000       0.8951000     256.0536      -29.7  
1 1 1 14 44 2  o 3.700000       0.8880000     259.9410      -143.5 
1 1 1 14 44 3  o 2.721000       0.8931000     248.4452      62.1   
1 1 1 14 44 4  o 1.455000       0.9235000     248.4686      18.6   
1 1 1 14 44 5  o -0.3876000     0.9548000     127.1212      99.5   
1 1 1 14 44 6  o 16.51000       1.187000      609.9622      -135.0 
1 1 1 14 44 7  o 2.981000       0.8203000     299.6015      -109.7 
1 1 1 14 44 8  o 3.856000       0.8512000     365.6508      131.6  
1 1 1 14 44 9  o 1.347000       0.8625000     212.4207      -14.2  
1 1 1 14 44 10 o 0.1214000      1.212000      10.44267      28.7   
1 1 1 14 44 11 o 1.380000       1.262000      160.4362      -23.9  
1 1 1 14 44 12 o -1.234000      1.286000      59.09691      112.0  
1 1 1 14 44 13 o 0.7314000      1.269000      94.79041      -52.8  
1 1 1 14 44 14 o 11.37000       1.397000      482.2838      -59.1  
1 1 1 14 44 15 o 9.810000       1.381000      466.4611      -166.2 
1 1 1 14 44 16 o 3.477000       1.322000      339.6981      76.1   
1 1 1 14 44 17 o 3.943000       1.401000      280.1003      179.9  
1 1 1 14 44 18 o 3.229000       1.363000      255.2494      -30.2  
1 1 1 14 44 19 o 6.491000       1.465000      300.6331      157.9  
1 1 1 14 44 20 o 13.62000       1.545000      511.2358      119.3  
1 1 1 14 44 21 o 1.900000       1.447000      161.3848      21.3   
1 1 1 14 44 22 o 10.75000       1.585000      495.9715      -18.8  
1 1 1 14 44 23 o 27.20000       2.447000      628.2636      -166.3 
1 1 1 14 44 24 o -0.2922000E-01 2.063000      114.7131      -9.7   
1 1 1 14 44 25 o 17.61000       1.739000      728.1546      67.3   
1 1 1 14 44 26 o 2.359000       2.222000      244.8436      -92.3  
1 1 1 14 44 27 o 6.320000       2.227000      297.3915      62.5   
1 1 1 14 44 28 o 7.112000       1.585000      420.5995      100.1  
1 1 1 14 44 29 o 1.565000       1.540000      227.3980      48.5   
1 1 1 14 44 30 o 5.626000       1.245000      442.0503      110.2  
1 1 1 14 44 31 o 1.018000       1.205000      ?             ?      
1 1 1 14 44 32 o 5.478000       1.250000      ?             ?      
1 1 1 14 44 33 o 3.690000       1.195000      ?             ?      
1 1 1 14 44 34 o 0.9306000      1.165000      ?             ?      
1 1 1 14 44 35 o 5.248000       1.193000      ?             ?      
1 1 1 14 44 36 o -1.176000      1.129000      ?             ?      
1 1 1 14 44 37 o 0.5402000      1.122000      ?             ?      
1 1 1 14 44 38 o 2.603000       1.156000      ?             ?      
1 1 1 14 44 39 o 1.506000       1.175000      ?             ?      
1 1 1 14 44 40 o 1.711000       1.255000      ?             ?      
1 1 1 14 44 41 o 1.599000       1.441000      ?             ?      
1 1 1 14 44 42 o -0.7631000     0.9045000     ?             ?      
1 1 1 14 44 43 o 2.741000       0.8965000     ?             ?      
1 1 1 14 44 44 o 0.1110000      0.8685000     ?             ?      
1 1 1 14 44 45 o 2.445000       0.9025000     ?             ?      
1 1 1 14 44 46 o 2.403000       0.9175000     ?             ?      
1 1 1 14 44 47 o 2.555000       0.9287000     ?             ?      
1 1 1 14 44 48 o -0.8699000     0.9282000     ?             ?      
1 1 1 14 44 49 o -0.2827000E-01 1.056000      ?             ?      
1 1 1 14 44 50 o 1.490000       1.144000      ?             ?      
1 1 1 14 44 51 o 1.054000       1.059000      ?             ?      
1 1 1 14 44 52 o 0.2325000      1.055000      ?             ?      
1 1 1 14 44 53 o 2.231000       1.074000      ?             ?      
1 1 1 14 44 54 f 1.496000       1.273000      ?             ?      
1 1 1 14 44 55 o 1.014000       1.462000      ?             ?      
1 1 1 14 45 0  o -0.2013000E-01 1.249000      91.83939      0.0    
1 1 1 14 45 1  o 1.163000       0.8780000     171.5160      72.9   
1 1 1 14 45 2  o 0.9340000      0.8738000     169.2671      167.6  
1 1 1 14 45 3  o 2.882000       0.9474000     238.1380      -114.7 
1 1 1 14 45 4  o 20.35000       1.196000      584.9784      -142.3 
1 1 1 14 45 5  o 8.782000       1.001000      389.7585      -88.1  
1 1 1 14 45 6  o 0.7644000      0.8653000     150.9256      -166.8 
1 1 1 14 45 7  o 4.445000       0.8387000     217.9588      -169.2 
1 1 1 14 45 8  o -0.1692000E-01 0.8612000     155.6854      -76.3  
1 1 1 14 45 9  o 6.552000       0.8538000     347.3843      -77.1  
1 1 1 14 45 10 o 5.684000       1.388000      381.9474      57.4   
1 1 1 14 45 11 o 0.4061000      1.275000      173.6587      154.4  
1 1 1 14 45 12 o 14.78000       1.599000      540.5818      -16.5  
1 1 1 14 45 13 o -0.5984000     1.087000      108.8787      -84.5  
1 1 1 14 45 14 o 1.493000       1.144000      275.1670      146.9  
1 1 1 14 45 15 o 1.348000       1.401000      206.3322      -168.9 
1 1 1 14 45 16 o 5.572000       1.421000      272.0800      -47.4  
1 1 1 14 45 17 o 5.688000       1.442000      316.2969      153.5  
1 1 1 14 45 18 o 17.23000       1.582000      514.1902      -107.7 
1 1 1 14 45 19 o 7.621000       1.481000      399.4539      -143.8 
1 1 1 14 45 20 o 1.566000       1.462000      211.7618      92.7   
1 1 1 14 45 21 o 1.532000       1.467000      136.2999      66.8   
1 1 1 14 45 22 o 0.2929000      1.494000      183.5205      -29.8  
1 1 1 14 45 23 o 7.353000       2.062000      232.1608      177.7  
1 1 1 14 45 24 o 3.647000       2.014000      177.6313      168.2  
1 1 1 14 45 25 o 13.81000       1.684000      382.5354      21.4   
1 1 1 14 45 26 o -3.470000      2.165000      30.44676      99.8   
1 1 1 14 45 27 o 3.181000       2.139000      211.2152      -167.7 
1 1 1 14 45 28 o 5.749000       1.531000      261.7065      -167.8 
1 1 1 14 45 29 o 0.2104000      1.505000      ?             ?      
1 1 1 14 45 30 o 2.101000       1.530000      ?             ?      
1 1 1 14 45 31 o 14.73000       1.716000      ?             ?      
1 1 1 14 45 32 o 3.692000       1.217000      ?             ?      
1 1 1 14 45 33 o 3.716000       1.223000      ?             ?      
1 1 1 14 45 34 o 3.243000       1.158000      ?             ?      
1 1 1 14 45 35 o -0.2755000     1.126000      ?             ?      
1 1 1 14 45 36 o 1.521000       1.109000      ?             ?      
1 1 1 14 45 37 o -1.055000      1.092000      ?             ?      
1 1 1 14 45 38 o 3.622000       1.137000      ?             ?      
1 1 1 14 45 39 o 0.2515000      1.259000      ?             ?      
1 1 1 14 45 40 o 5.325000       1.340000      ?             ?      
1 1 1 14 45 41 o 0.5061000      1.162000      ?             ?      
1 1 1 14 45 42 o -1.414000      1.314000      ?             ?      
1 1 1 14 45 43 o 2.130000       0.8384000     ?             ?      
1 1 1 14 45 44 o 1.101000       0.8568000     ?             ?      
1 1 1 14 45 45 o 0.3534000      0.8572000     ?             ?      
1 1 1 14 45 46 o 0.7281000      0.8872000     ?             ?      
1 1 1 14 45 47 o 0.5132000      0.9093000     ?             ?      
1 1 1 14 45 48 f 3.013000       0.9281000     ?             ?      
1 1 1 14 45 49 o 0.3007000      0.9387000     ?             ?      
1 1 1 14 45 50 o 1.824000       1.084000      ?             ?      
1 1 1 14 45 51 o 1.595000       1.630000      ?             ?      
1 1 1 14 45 52 o -0.7612000     1.140000      ?             ?      
1 1 1 14 45 53 o 1.288000       1.270000      ?             ?      
1 1 1 14 45 54 o 1.797000       1.465000      ?             ?      
1 1 1 14 46 0  o 2.024000       1.272000      28.54594      -180.0 
1 1 1 14 46 1  o 0.9978000      0.9044000     112.4540      -79.9  
1 1 1 14 46 2  o 3.969000       0.9188000     291.6782      -83.5  
1 1 1 14 46 3  o 3.729000       0.9745000     251.4097      6.3    
1 1 1 14 46 4  o 5.627000       1.083000      324.3498      -73.4  
1 1 1 14 46 5  o 7.044000       1.006000      334.4122      -19.9  
1 1 1 14 46 6  o 6.777000       0.9027000     238.9170      -88.5  
1 1 1 14 46 7  o 7.404000       0.9382000     452.4113      100.7  
1 1 1 14 46 8  o -0.7487000     0.9811000     98.66242      106.8  
1 1 1 14 46 9  o 2.170000       0.8457000     288.2036      1.3    
1 1 1 14 46 10 o -1.322000      1.131000      143.0936      -172.9 
1 1 1 14 46 11 o -0.1535000     1.487000      10.96846      20.0   
1 1 1 14 46 12 o 1.816000       1.399000      177.9601      139.3  
1 1 1 14 46 13 o 1.514000       1.149000      212.5807      -8.4   
1 1 1 14 46 14 o 15.58000       1.567000      464.6947      -83.9  
1 1 1 14 46 15 o 3.315000       1.426000      220.0763      -115.1 
1 1 1 14 46 16 o 1.422000       1.398000      103.9695      -79.4  
1 1 1 14 46 17 o 2.380000       1.414000      171.2325      -113.3 
1 1 1 14 46 18 o -1.652000      1.419000      11.97957      -63.7  
1 1 1 14 46 19 o 0.3686000      1.430000      212.9894      84.4   
1 1 1 14 46 20 o -0.4285000E-01 1.441000      53.39977      19.8   
1 1 1 14 46 21 o 2.852000       1.481000      242.2258      1.7    
1 1 1 14 46 22 o 7.480000       2.054000      316.0316      54.3   
1 1 1 14 46 23 o -0.1708000     2.008000      325.1846      173.7  
1 1 1 14 46 24 o 15.75000       1.673000      540.6165      30.3   
1 1 1 14 46 25 o 5.911000       2.223000      355.9940      47.0   
1 1 1 14 46 26 o 4.129000       2.193000      196.8714      -127.6 
1 1 1 14 46 27 o 1.378000       1.480000      ?             ?      
1 1 1 14 46 28 o -0.4935000     1.508000      ?             ?      
1 1 1 14 46 29 o 9.689000       1.594000      ?             ?      
1 1 1 14 46 30 o 5.022000       1.571000      ?             ?      
1 1 1 14 46 31 o -0.8276000     1.501000      ?             ?      
1 1 1 14 46 32 o 0.1549000      1.494000      ?             ?      
1 1 1 14 46 33 o -0.6831000     1.143000      ?             ?      
1 1 1 14 46 34 o -0.9872000     1.138000      ?             ?      
1 1 1 14 46 35 o 2.148000       1.145000      ?             ?      
1 1 1 14 46 36 o -0.1070000     1.123000      ?             ?      
1 1 1 14 46 37 o -0.7493000     1.112000      ?             ?      
1 1 1 14 46 38 o -1.188000      1.093000      ?             ?      
1 1 1 14 46 39 o 0.7260000      1.218000      ?             ?      
1 1 1 14 46 40 o -0.5878000     1.117000      ?             ?      
1 1 1 14 46 41 o 0.5859000      1.258000      ?             ?      
1 1 1 14 46 42 o 0.3441000      1.277000      ?             ?      
1 1 1 14 46 43 o 1.936000       1.110000      ?             ?      
1 1 1 14 46 44 o 0.3761000      1.199000      ?             ?      
1 1 1 14 46 45 o 2.070000       0.8436000     ?             ?      
1 1 1 14 46 46 o 0.4181000      0.8630000     ?             ?      
1 1 1 14 46 47 o 1.001000       0.8824000     ?             ?      
1 1 1 14 46 48 o 0.7261000      0.9091000     ?             ?      
1 1 1 14 46 49 o 1.612000       0.9377000     ?             ?      
1 1 1 14 46 50 o 0.4425000E-01  0.9717000     ?             ?      
1 1 1 14 46 51 o -0.2597000     1.225000      ?             ?      
1 1 1 14 46 52 o -1.093000      1.357000      ?             ?      
1 1 1 14 46 53 o 1.940000       2.390000      ?             ?      
1 1 1 14 47 0  o 14.76000       1.503000      395.2972      0.0    
1 1 1 14 47 1  o 3.992000       0.9693000     239.1191      84.0   
1 1 1 14 47 2  o 0.1566000      0.9651000     106.7402      -81.5  
1 1 1 14 47 3  o 6.977000       1.128000      345.2372      -46.2  
1 1 1 14 47 4  o 5.529000       1.044000      371.2565      143.9  
1 1 1 14 47 5  o 0.1183000      1.019000      39.16887      34.1   
1 1 1 14 47 6  o -0.6593000     0.9903000     163.1761      125.5  
1 1 1 14 47 7  o -0.3738000     0.8852000     18.84497      -148.3 
1 1 1 14 47 8  o 2.435000       1.015000      234.1732      -124.5 
1 1 1 14 47 9  o 4.458000       0.9643000     268.9673      31.9   
1 1 1 14 47 10 o 7.491000       1.497000      369.5240      129.8  
1 1 1 14 47 11 o 0.7526000      1.383000      233.4251      -71.9  
1 1 1 14 47 12 o 3.641000       1.469000      283.1818      -36.1  
1 1 1 14 47 13 o 5.302000       1.448000      277.0004      105.2  
1 1 1 14 47 14 o -0.5501000     1.086000      64.71706      83.5   
1 1 1 14 47 15 o 2.977000       1.425000      215.6860      -59.7  
1 1 1 14 47 16 o 1.936000       1.402000      65.91737      -143.4 
1 1 1 14 47 17 o 3.662000       1.436000      171.5392      177.6  
1 1 1 14 47 18 o 2.913000       1.448000      286.2741      -123.8 
1 1 1 14 47 19 o 0.8675000      1.450000      55.91270      125.1  
1 1 1 14 47 20 o 5.846000       1.504000      265.0577      101.3  
1 1 1 14 47 21 o 3.384000       1.507000      311.6267      154.6  
1 1 1 14 47 22 o 3.384000       2.000000      102.7002      14.7   
1 1 1 14 47 23 o 5.677000       1.540000      358.7466      140.0  
1 1 1 14 47 24 o -0.6643000     1.471000      77.28636      42.1   
1 1 1 14 47 25 o 0.1175000      2.108000      ?             ?      
1 1 1 14 47 26 o 1.265000       2.073000      ?             ?      
1 1 1 14 47 27 o 0.4553000      1.471000      ?             ?      
1 1 1 14 47 28 o -0.4252000     1.476000      ?             ?      
1 1 1 14 47 29 o 2.085000       1.491000      ?             ?      
1 1 1 14 47 30 o -1.117000      1.475000      ?             ?      
1 1 1 14 47 31 o 0.8004000      1.488000      ?             ?      
1 1 1 14 47 32 o -1.767000      1.490000      ?             ?      
1 1 1 14 47 33 o 2.145000       1.512000      ?             ?      
1 1 1 14 47 34 o 0.3832000      1.163000      ?             ?      
1 1 1 14 47 35 o -1.364000      1.139000      ?             ?      
1 1 1 14 47 36 o 0.4749000      1.189000      ?             ?      
1 1 1 14 47 37 o 1.244000       1.142000      ?             ?      
1 1 1 14 47 38 o -0.2331000     1.257000      ?             ?      
1 1 1 14 47 39 o 1.850000       1.245000      ?             ?      
1 1 1 14 47 40 o 1.171000       1.085000      ?             ?      
1 1 1 14 47 41 o -0.7168000     1.200000      ?             ?      
1 1 1 14 47 42 o 0.7921000      1.103000      ?             ?      
1 1 1 14 47 43 o -0.1885000     1.115000      ?             ?      
1 1 1 14 47 44 o 0.8344000      1.162000      ?             ?      
1 1 1 14 47 45 o 0.3441000      1.208000      ?             ?      
1 1 1 14 47 46 o -0.4894000E-01 0.8401000     ?             ?      
1 1 1 14 47 47 o -1.284000      0.8618000     ?             ?      
1 1 1 14 47 48 o 0.9563000E-01  0.8866000     ?             ?      
1 1 1 14 47 49 o 2.018000       0.9576000     ?             ?      
1 1 1 14 47 50 o 0.9501000      0.9710000     ?             ?      
1 1 1 14 47 51 o 0.9318000      1.086000      ?             ?      
1 1 1 14 47 52 o 0.6924000      1.768000      ?             ?      
1 1 1 14 48 0  o -0.8693000     1.394000      34.54416      -0.0   
1 1 1 14 48 1  o 4.036000       1.095000      329.5861      25.0   
1 1 1 14 48 2  o 13.89000       1.255000      337.3600      -136.0 
1 1 1 14 48 3  o 2.186000       1.184000      137.7523      64.6   
1 1 1 14 48 4  f 3.571000       1.002000      171.2159      35.6   
1 1 1 14 48 5  o 2.286000       0.9861000     208.2764      -139.1 
1 1 1 14 48 6  o -1.699000      1.167000      97.41785      -95.1  
1 1 1 14 48 7  o 3.274000       1.085000      129.2400      160.0  
1 1 1 14 48 8  f 2.495000       0.9756000     201.5365      154.1  
1 1 1 14 48 9  o 0.9497000      0.8475000     216.0923      34.4   
1 1 1 14 48 10 o 0.1498000      1.187000      141.3466      118.8  
1 1 1 14 48 11 o 1.692000       1.392000      166.8344      -108.6 
1 1 1 14 48 12 o 1.225000       1.421000      150.5562      59.1   
1 1 1 14 48 13 o 1.103000       1.139000      119.4033      -54.4  
1 1 1 14 48 14 o 8.269000       1.142000      402.8979      -114.0 
1 1 1 14 48 15 o 2.832000       1.410000      222.7142      -81.6  
1 1 1 14 48 16 o 1.505000       1.403000      66.48064      177.8  
1 1 1 14 48 17 o 3.186000       1.435000      207.9070      -166.6 
1 1 1 14 48 18 o 0.4457000      1.417000      98.38460      -134.9 
1 1 1 14 48 19 o -0.8621000     1.402000      144.4113      -59.7  
1 1 1 14 48 20 o -0.5647000     1.420000      85.17543      -172.8 
1 1 1 14 48 21 o -0.8291000E-01 1.876000      153.7618      98.3   
1 1 1 14 48 22 o 3.794000       1.942000      ?             ?      
1 1 1 14 48 23 o 2.423000       1.473000      ?             ?      
1 1 1 14 48 24 o 5.688000       2.115000      ?             ?      
1 1 1 14 48 25 o 8.047000       2.120000      ?             ?      
1 1 1 14 48 26 o 0.5930000      1.564000      ?             ?      
1 1 1 14 48 27 o 1.467000       1.554000      ?             ?      
1 1 1 14 48 28 o 0.6552000      1.552000      ?             ?      
1 1 1 14 48 29 o 0.9699000      1.548000      ?             ?      
1 1 1 14 48 30 o 0.9919000      1.569000      ?             ?      
1 1 1 14 48 31 o -0.4948000E-01 1.540000      ?             ?      
1 1 1 14 48 32 o 1.786000       1.483000      ?             ?      
1 1 1 14 48 33 o 1.029000       0.7737000     ?             ?      
1 1 1 14 48 34 o 4.183000       1.589000      ?             ?      
1 1 1 14 48 35 o 2.378000       1.552000      ?             ?      
1 1 1 14 48 36 o -1.169000      1.127000      ?             ?      
1 1 1 14 48 37 o 0.1045000      1.138000      ?             ?      
1 1 1 14 48 38 o 1.060000       1.333000      ?             ?      
1 1 1 14 48 39 o 0.8988000      1.116000      ?             ?      
1 1 1 14 48 40 o 0.9104000      1.278000      ?             ?      
1 1 1 14 48 41 o 0.7068000      1.214000      ?             ?      
1 1 1 14 48 42 o -0.5607000E-01 1.087000      ?             ?      
1 1 1 14 48 43 o -1.099000      1.082000      ?             ?      
1 1 1 14 48 44 o 3.154000       1.149000      ?             ?      
1 1 1 14 48 45 o -1.040000      1.133000      ?             ?      
1 1 1 14 48 46 o 1.836000       1.147000      ?             ?      
1 1 1 14 48 47 o -0.5091000E-01 1.252000      ?             ?      
1 1 1 14 48 48 o -0.6673000     0.8836000     ?             ?      
1 1 1 14 48 49 o -1.266000      0.9157000     ?             ?      
1 1 1 14 48 50 o 0.1886000      1.038000      ?             ?      
1 1 1 14 49 0  o 1.965000       1.696000      140.8842      180.0  
1 1 1 14 49 1  o 6.486000       1.309000      329.3543      30.3   
1 1 1 14 49 2  o 0.4752000E-01  1.580000      137.0724      -95.5  
1 1 1 14 49 3  o 2.167000       1.260000      216.5134      -127.3 
1 1 1 14 49 4  o 0.2786000      1.021000      163.4520      169.3  
1 1 1 14 49 5  o 1.757000       1.098000      163.6100      74.8   
1 1 1 14 49 6  o 4.097000       0.9845000     261.9400      -168.6 
1 1 1 14 49 7  o 2.658000       0.9560000     250.6672      173.4  
1 1 1 14 49 8  o 0.3314000      1.046000      76.42655      -39.6  
1 1 1 14 49 9  o -0.5336000     1.047000      157.4677      -2.7   
1 1 1 14 49 10 o 5.953000       1.239000      358.6276      122.3  
1 1 1 14 49 11 o -0.5232000     1.583000      75.12538      90.9   
1 1 1 14 49 12 o -0.1393000     1.401000      23.96679      -42.4  
1 1 1 14 49 13 o 0.8942000      1.116000      122.2103      55.7   
1 1 1 14 49 14 o -0.7015000     1.052000      49.67353      -80.4  
1 1 1 14 49 15 o 4.156000       1.424000      258.7726      -8.7   
1 1 1 14 49 16 o -0.7540000E-01 1.380000      35.83144      24.2   
1 1 1 14 49 17 o 1.733000       1.369000      90.43988      -125.5 
1 1 1 14 49 18 o 0.1942000      1.392000      ?             ?      
1 1 1 14 49 19 o 0.1743000      1.390000      ?             ?      
1 1 1 14 49 20 o 2.366000       1.446000      ?             ?      
1 1 1 14 49 21 o -2.059000      1.916000      ?             ?      
1 1 1 14 49 22 o 2.172000       1.467000      ?             ?      
1 1 1 14 49 23 o 6.606000       1.478000      ?             ?      
1 1 1 14 49 24 o 1.143000       2.083000      ?             ?      
1 1 1 14 49 25 o -0.4036000     2.061000      ?             ?      
1 1 1 14 49 26 o -0.6722000     1.535000      ?             ?      
1 1 1 14 49 27 o -2.450000      1.551000      ?             ?      
1 1 1 14 49 28 o 8.838000       1.649000      ?             ?      
1 1 1 14 49 29 o -1.155000      1.563000      ?             ?      
1 1 1 14 49 30 o 1.622000       1.560000      ?             ?      
1 1 1 14 49 31 o -0.2964000E-01 1.537000      ?             ?      
1 1 1 14 49 32 o 1.094000       1.580000      ?             ?      
1 1 1 14 49 33 o 2.497000       1.597000      ?             ?      
1 1 1 14 49 34 o -0.4060000     1.578000      ?             ?      
1 1 1 14 49 35 o -1.738000      1.574000      ?             ?      
1 1 1 14 49 36 o 0.9514000      1.564000      ?             ?      
1 1 1 14 49 37 o 1.337000       1.303000      ?             ?      
1 1 1 14 49 38 o 0.1303000      1.284000      ?             ?      
1 1 1 14 49 39 o 1.037000       1.144000      ?             ?      
1 1 1 14 49 40 o 0.7238000      1.301000      ?             ?      
1 1 1 14 49 41 o 0.3978000      1.103000      ?             ?      
1 1 1 14 49 42 o 0.6200000      1.090000      ?             ?      
1 1 1 14 49 43 o 1.382000       1.135000      ?             ?      
1 1 1 14 49 44 o -1.509000      1.121000      ?             ?      
1 1 1 14 49 45 o 0.4748000      0.9245000     ?             ?      
1 1 1 14 49 46 o -1.790000      1.257000      ?             ?      
1 1 1 14 49 47 o 1.008000       1.494000      ?             ?      
1 1 1 14 49 48 o -0.3430000     1.654000      ?             ?      
1 1 1 14 49 49 o 2.095000       1.540000      ?             ?      
1 1 1 14 50 0  f 0.7877000      1.639000      128.9679      -180.0 
1 1 1 14 50 1  o -3.424000      1.498000      72.61604      178.1  
1 1 1 14 50 2  o 0.6850000      1.240000      89.53027      -60.2  
1 1 1 14 50 3  o 1.762000       1.200000      230.4808      15.9   
1 1 1 14 50 4  o 1.902000       1.091000      140.0874      -135.2 
1 1 1 14 50 5  o 2.710000       1.068000      176.2234      -142.4 
1 1 1 14 50 6  o 1.187000       0.9794000     102.3011      -59.6  
1 1 1 14 50 7  o -0.6242000     0.9330000     93.69169      80.4   
1 1 1 14 50 8  o 1.092000       0.8591000     104.0790      -158.0 
1 1 1 14 50 9  o 3.092000       0.8656000     125.7737      -110.5 
1 1 1 14 50 10 o 0.4737000      1.203000      56.67145      -19.6  
1 1 1 14 50 11 o -0.7008000     1.562000      56.58273      137.6  
1 1 1 14 50 12 o -0.7072000     1.379000      85.94436      -20.2  
1 1 1 14 50 13 o 1.889000       1.055000      172.1566      170.8  
1 1 1 14 50 14 o -0.5863000     1.034000      ?             ?      
1 1 1 14 50 15 o 1.408000       1.365000      ?             ?      
1 1 1 14 50 16 o 3.958000       1.399000      ?             ?      
1 1 1 14 50 17 o -0.1039000     1.373000      ?             ?      
1 1 1 14 50 18 o 4.042000       1.409000      ?             ?      
1 1 1 14 50 19 o 2.282000       1.388000      ?             ?      
1 1 1 14 50 20 o -2.328000      1.875000      ?             ?      
1 1 1 14 50 21 o -1.406000      1.956000      ?             ?      
1 1 1 14 50 22 o 2.252000       1.509000      ?             ?      
1 1 1 14 50 23 o 0.6387000      2.089000      ?             ?      
1 1 1 14 50 24 o 1.264000       2.105000      ?             ?      
1 1 1 14 50 25 o 2.131000       1.549000      ?             ?      
1 1 1 14 50 26 o 4.769000       1.575000      ?             ?      
1 1 1 14 50 27 o -0.3316000     1.533000      ?             ?      
1 1 1 14 50 28 o -0.2508000E-01 1.547000      ?             ?      
1 1 1 14 50 29 o 3.165000       1.584000      ?             ?      
1 1 1 14 50 30 o -0.2327000     1.558000      ?             ?      
1 1 1 14 50 31 o 3.126000       1.590000      ?             ?      
1 1 1 14 50 32 o 1.644000       1.598000      ?             ?      
1 1 1 14 50 33 o 0.7037000E-01  1.591000      ?             ?      
1 1 1 14 50 34 o 1.894000       1.561000      ?             ?      
1 1 1 14 50 35 o 0.6021000      1.564000      ?             ?      
1 1 1 14 50 36 o 0.7740000      2.069000      ?             ?      
1 1 1 14 50 37 o 2.236000       2.058000      ?             ?      
1 1 1 14 50 38 o 3.892000       1.653000      ?             ?      
1 1 1 14 50 39 o 2.554000       1.385000      ?             ?      
1 1 1 14 50 40 o 1.260000       1.278000      ?             ?      
1 1 1 14 50 41 o 1.220000       1.155000      ?             ?      
1 1 1 14 50 42 o -1.397000      1.124000      ?             ?      
1 1 1 14 50 43 o 0.1063000      1.135000      ?             ?      
1 1 1 14 50 44 o 0.3813000      1.115000      ?             ?      
1 1 1 14 50 45 o -2.203000      1.459000      ?             ?      
1 1 1 14 50 46 o -1.206000      1.422000      ?             ?      
1 1 1 14 50 47 o 1.096000       1.489000      ?             ?      
1 1 1 14 50 48 o 2.711000       1.424000      ?             ?      
1 1 1 14 51 0  o -2.430000      1.443000      47.59473      -0.0   
1 1 1 14 51 1  o 5.595000       1.291000      200.7825      30.2   
1 1 1 14 51 2  o 6.916000       1.252000      238.1669      -167.8 
1 1 1 14 51 3  o 0.2815000      1.076000      47.22734      167.2  
1 1 1 14 51 4  o 0.5060000      0.9652000     61.39801      61.2   
1 1 1 14 51 5  o 1.793000       1.007000      175.9350      166.5  
1 1 1 14 51 6  o 0.8273000      0.9893000     136.6111      -146.9 
1 1 1 14 51 7  o 1.582000       0.9333000     115.0894      -36.4  
1 1 1 14 51 8  o 2.388000       0.9073000     ?             ?      
1 1 1 14 51 9  o 0.2545000      0.8431000     ?             ?      
1 1 1 14 51 10 o 2.309000       1.177000      ?             ?      
1 1 1 14 51 11 o -3.153000      1.535000      ?             ?      
1 1 1 14 51 12 o 0.5852000      1.092000      ?             ?      
1 1 1 14 51 13 o 0.2364000      1.035000      ?             ?      
1 1 1 14 51 14 o 0.8912000      1.026000      ?             ?      
1 1 1 14 51 15 o 2.566000       1.373000      ?             ?      
1 1 1 14 51 16 o 1.508000       1.356000      ?             ?      
1 1 1 14 51 17 o 0.9531000      1.340000      ?             ?      
1 1 1 14 51 18 o 4.590000       1.384000      ?             ?      
1 1 1 14 51 19 o -0.9303000     1.841000      ?             ?      
1 1 1 14 51 20 o 1.762000       0.7472000     ?             ?      
1 1 1 14 51 21 o 3.093000       1.515000      ?             ?      
1 1 1 14 51 22 o -2.001000      1.496000      ?             ?      
1 1 1 14 51 23 o 1.113000       2.079000      ?             ?      
1 1 1 14 51 24 o 0.8911000E-01  2.138000      ?             ?      
1 1 1 14 51 25 o -0.3586000     1.523000      ?             ?      
1 1 1 14 51 26 o 0.4655000      1.514000      ?             ?      
1 1 1 14 51 27 o -2.150000      1.498000      ?             ?      
1 1 1 14 51 28 o -0.4621000     1.566000      ?             ?      
1 1 1 14 51 29 o 1.752000       1.627000      ?             ?      
1 1 1 14 51 30 o 2.723000       1.652000      ?             ?      
1 1 1 14 51 31 o 2.118000       1.614000      ?             ?      
1 1 1 14 51 32 o -0.4678000     1.540000      ?             ?      
1 1 1 14 51 33 o 2.022000       1.604000      ?             ?      
1 1 1 14 51 34 o -0.8471000E-01 1.576000      ?             ?      
1 1 1 14 51 35 o 1.083000       1.592000      ?             ?      
1 1 1 14 51 36 o -1.501000      2.024000      ?             ?      
1 1 1 14 51 37 o 0.6011000E-01  1.627000      ?             ?      
1 1 1 14 51 38 o 2.526000       2.247000      ?             ?      
1 1 1 14 51 39 o 1.402000       2.193000      ?             ?      
1 1 1 14 51 40 o 0.3045000      1.249000      ?             ?      
1 1 1 14 51 41 o 1.480000       1.242000      ?             ?      
1 1 1 14 51 42 o 0.7975000      1.235000      ?             ?      
1 1 1 14 51 43 o 0.6479000      1.586000      ?             ?      
1 1 1 14 51 44 o -2.286000      1.539000      ?             ?      
1 1 1 14 51 45 o 3.257000       1.516000      ?             ?      
1 1 1 14 51 46 o 0.3624000      0.8598000     ?             ?      
1 1 1 14 52 0  o -0.2897000     1.523000      ?             ?      
1 1 1 14 52 1  o 0.9881000      1.071000      ?             ?      
1 1 1 14 52 2  o -0.7796000     1.015000      ?             ?      
1 1 1 14 52 3  o 4.432000       0.9586000     ?             ?      
1 1 1 14 52 4  o 1.328000       0.9131000     ?             ?      
1 1 1 14 52 5  o 0.2368000      0.9644000     ?             ?      
1 1 1 14 52 6  o -0.8341000     0.9667000     ?             ?      
1 1 1 14 52 7  o -0.7363000     0.8539000     ?             ?      
1 1 1 14 52 8  o -0.3689000     0.8299000     ?             ?      
1 1 1 14 52 9  o -0.6814000     0.8023000     ?             ?      
1 1 1 14 52 10 o -0.3706000     1.141000      ?             ?      
1 1 1 14 52 11 o 0.7099000      1.607000      ?             ?      
1 1 1 14 52 12 o -0.7678000     1.054000      ?             ?      
1 1 1 14 52 13 o 1.665000       1.019000      ?             ?      
1 1 1 14 52 14 o 1.020000       1.018000      ?             ?      
1 1 1 14 52 15 o -0.9890000     1.343000      ?             ?      
1 1 1 14 52 16 o 3.172000       1.358000      ?             ?      
1 1 1 14 52 17 o 0.5266000      1.344000      ?             ?      
1 1 1 14 52 18 o -0.6146000     1.344000      ?             ?      
1 1 1 14 52 19 o -0.3553000     1.781000      ?             ?      
1 1 1 14 52 20 o -0.2782000     1.905000      ?             ?      
1 1 1 14 52 21 o -1.841000      1.479000      ?             ?      
1 1 1 14 52 22 o 3.386000       1.527000      ?             ?      
1 1 1 14 52 23 o 0.1821000      2.046000      ?             ?      
1 1 1 14 52 24 o 1.278000       1.526000      ?             ?      
1 1 1 14 52 25 o 3.163000       1.546000      ?             ?      
1 1 1 14 52 26 o 0.1180000      1.799000      ?             ?      
1 1 1 14 52 27 o 0.3870000      1.806000      ?             ?      
1 1 1 14 52 28 o -0.9679000     1.805000      ?             ?      
1 1 1 14 52 29 o 3.593000       1.856000      ?             ?      
1 1 1 14 52 30 o 0.9102000      1.830000      ?             ?      
1 1 1 14 52 31 o 0.5148000      1.845000      ?             ?      
1 1 1 14 52 32 o -2.353000      1.867000      ?             ?      
1 1 1 14 52 33 o 1.848000       1.889000      ?             ?      
1 1 1 14 52 34 o 0.9326000      1.632000      ?             ?      
1 1 1 14 52 35 o 2.351000       2.187000      ?             ?      
1 1 1 14 52 36 o -1.197000      2.164000      ?             ?      
1 1 1 14 52 37 o 0.3753000E-01  1.629000      ?             ?      
1 1 1 14 52 38 o -3.063000      2.152000      ?             ?      
1 1 1 14 52 39 o 2.337000       2.234000      ?             ?      
1 1 1 14 52 40 o -2.631000      2.306000      ?             ?      
1 1 1 14 52 41 o 0.6801000      2.409000      ?             ?      
1 1 1 14 52 42 o 1.627000       1.664000      ?             ?      
1 1 1 14 52 43 o -1.965000      1.663000      ?             ?      
1 1 1 14 52 44 o 0.4148000      1.683000      ?             ?      
1 1 1 14 52 45 o -0.5838000     1.027000      ?             ?      
1 1 1 14 53 0  o 0.9875000      1.880000      ?             ?      
1 1 1 14 53 1  o 3.349000       1.056000      ?             ?      
1 1 1 14 53 2  o 0.6028000      0.9697000     ?             ?      
1 1 1 14 53 3  o -0.9960000     0.8832000     ?             ?      
1 1 1 14 53 4  o -0.7264000     0.9400000     ?             ?      
1 1 1 14 53 5  o -1.490000      1.023000      ?             ?      
1 1 1 14 53 6  o 0.6335000      0.9273000     ?             ?      
1 1 1 14 53 7  o -0.6103000     0.8432000     ?             ?      
1 1 1 14 53 8  o -0.7467000     0.8041000     ?             ?      
1 1 1 14 53 9  o 1.290000       0.8028000     ?             ?      
1 1 1 14 53 10 o 0.8204000      1.490000      ?             ?      
1 1 1 14 53 11 o -1.468000      1.980000      ?             ?      
1 1 1 14 53 12 o 3.490000       1.123000      ?             ?      
1 1 1 14 53 13 o 0.5400000      0.9992000     ?             ?      
1 1 1 14 53 14 o 0.4318000      1.016000      ?             ?      
1 1 1 14 53 15 o 2.018000       1.330000      ?             ?      
1 1 1 14 53 16 o 1.828000       1.346000      ?             ?      
1 1 1 14 53 17 o 0.3013000      1.323000      ?             ?      
1 1 1 14 53 18 o 1.782000       1.809000      ?             ?      
1 1 1 14 53 19 o 2.943000       1.936000      ?             ?      
1 1 1 14 53 20 o 1.829000       1.487000      ?             ?      
1 1 1 14 53 21 o -0.2129000     1.482000      ?             ?      
1 1 1 14 53 22 o -0.3350000     2.097000      ?             ?      
1 1 1 14 53 23 o 2.138000       2.111000      ?             ?      
1 1 1 14 53 24 o 4.182000       1.855000      ?             ?      
1 1 1 14 53 25 o -3.638000      1.803000      ?             ?      
1 1 1 14 53 26 o -1.080000      1.790000      ?             ?      
1 1 1 14 53 27 o -0.1022000     1.810000      ?             ?      
1 1 1 14 53 28 o 0.2206000      1.811000      ?             ?      
1 1 1 14 53 29 o -0.5709000E-01 1.801000      ?             ?      
1 1 1 14 53 30 o -1.145000      1.813000      ?             ?      
1 1 1 14 53 31 o 0.2253000      1.866000      ?             ?      
1 1 1 14 53 32 o -0.1672000     1.870000      ?             ?      
1 1 1 14 53 33 o -0.1458000     1.895000      ?             ?      
1 1 1 14 53 34 o 1.032000       1.933000      ?             ?      
1 1 1 14 53 35 o 2.425000       2.441000      ?             ?      
1 1 1 14 53 36 o -0.5555000     2.939000      ?             ?      
1 1 1 14 53 37 o -2.599000      1.598000      ?             ?      
1 1 1 14 53 38 o 4.049000       2.345000      ?             ?      
1 1 1 14 53 39 o 0.2198000E-01  1.648000      ?             ?      
1 1 1 14 53 40 o 4.364000       2.512000      ?             ?      
1 1 1 14 53 41 o 1.553000       1.285000      ?             ?      
1 1 1 14 53 42 o 1.114000       1.238000      ?             ?      
1 1 1 14 53 43 o 0.4820000      1.405000      ?             ?      
1 1 1 14 54 0  o 1.081000       2.737000      ?             ?      
1 1 1 14 54 1  o -1.349000      1.104000      ?             ?      
1 1 1 14 54 2  o 0.7099000      0.8623000     ?             ?      
1 1 1 14 54 3  o 1.850000       0.8573000     ?             ?      
1 1 1 14 54 4  o 0.6206000      0.9095000     ?             ?      
1 1 1 14 54 5  o 0.7467000      0.9132000     ?             ?      
1 1 1 14 54 6  o -0.8930000E-01 0.8439000     ?             ?      
1 1 1 14 54 7  o 0.7630000      0.8183000     ?             ?      
1 1 1 14 54 8  o 1.343000       0.8558000     ?             ?      
1 1 1 14 54 9  o -0.8987000     0.9703000     ?             ?      
1 1 1 14 54 10 o 0.1569000      1.123000      ?             ?      
1 1 1 14 54 11 o -1.632000      1.491000      ?             ?      
1 1 1 14 54 12 o -3.306000      1.166000      ?             ?      
1 1 1 14 54 13 o -0.5095000E-01 1.100000      ?             ?      
1 1 1 14 54 14 o -2.644000      1.876000      ?             ?      
1 1 1 14 54 15 o -0.4835000     1.841000      ?             ?      
1 1 1 14 54 16 o -0.8708000     1.876000      ?             ?      
1 1 1 14 54 17 o -1.278000      1.352000      ?             ?      
1 1 1 14 54 18 o 1.180000       1.866000      ?             ?      
1 1 1 14 54 19 o -0.4600000     1.906000      ?             ?      
1 1 1 14 54 20 o 0.8635000      1.512000      ?             ?      
1 1 1 14 54 21 o 0.7715000      1.476000      ?             ?      
1 1 1 14 54 22 o 2.683000       2.125000      ?             ?      
1 1 1 14 54 23 o -1.419000      1.772000      ?             ?      
1 1 1 14 54 24 o 0.9740000      1.760000      ?             ?      
1 1 1 14 54 25 o -0.7241000     1.762000      ?             ?      
1 1 1 14 54 26 o 0.3013000      1.746000      ?             ?      
1 1 1 14 54 27 o 1.328000       1.788000      ?             ?      
1 1 1 14 54 28 o 0.2269000      1.822000      ?             ?      
1 1 1 14 54 29 o -0.4427000     1.831000      ?             ?      
1 1 1 14 54 30 o -0.9114000     1.849000      ?             ?      
1 1 1 14 54 31 o 1.001000       1.875000      ?             ?      
1 1 1 14 54 32 o -0.7050000E-02 1.895000      ?             ?      
1 1 1 14 54 33 o 0.8438000E-01  1.920000      ?             ?      
1 1 1 14 54 34 o -2.786000      2.352000      ?             ?      
1 1 1 14 54 35 o 5.056000       2.829000      ?             ?      
1 1 1 14 54 36 o -1.836000      2.952000      ?             ?      
1 1 1 14 54 37 o -0.7247000     2.520000      ?             ?      
1 1 1 14 54 38 o 1.168000       2.644000      ?             ?      
1 1 1 14 54 39 o 1.080000       2.645000      ?             ?      
1 1 1 14 54 40 o 0.8514000      1.550000      ?             ?      
1 1 1 14 54 41 o -0.9999000     1.482000      ?             ?      
1 1 1 14 55 0  o 0.1889000      1.753000      ?             ?      
1 1 1 14 55 1  o 1.290000       1.059000      ?             ?      
1 1 1 14 55 2  o -0.3307000     0.8368000     ?             ?      
1 1 1 14 55 3  o 0.2397000      0.8279000     ?             ?      
1 1 1 14 55 4  o 0.9586000      0.8850000     ?             ?      
1 1 1 14 55 5  o 1.562000       0.8982000     ?             ?      
1 1 1 14 55 6  o 1.875000       0.8243000     ?             ?      
1 1 1 14 55 7  o 1.113000       0.8051000     ?             ?      
1 1 1 14 55 8  o 0.7133000      0.7760000     ?             ?      
1 1 1 14 55 9  o -1.652000      0.8435000     ?             ?      
1 1 1 14 55 10 o -1.600000      1.319000      ?             ?      
1 1 1 14 55 11 o -1.199000      1.568000      ?             ?      
1 1 1 14 55 12 o -0.1089000     1.053000      ?             ?      
1 1 1 14 55 13 o -0.3964000     0.9559000     ?             ?      
1 1 1 14 55 14 o 2.805000       1.318000      ?             ?      
1 1 1 14 55 15 o 0.1921000      1.738000      ?             ?      
1 1 1 14 55 16 o -1.484000      1.743000      ?             ?      
1 1 1 14 55 17 o -1.548000      1.821000      ?             ?      
1 1 1 14 55 18 o 3.626000       1.274000      ?             ?      
1 1 1 14 55 19 o -1.378000      2.100000      ?             ?      
1 1 1 14 55 20 o -0.9042000     1.444000      ?             ?      
1 1 1 14 55 21 o -1.392000      2.040000      ?             ?      
1 1 1 14 55 22 o 0.4422000      2.125000      ?             ?      
1 1 1 14 55 23 o 4.318000       2.013000      ?             ?      
1 1 1 14 55 24 o -2.268000      2.004000      ?             ?      
1 1 1 14 55 25 o 0.1583000      1.790000      ?             ?      
1 1 1 14 55 26 o 1.494000       1.796000      ?             ?      
1 1 1 14 55 27 o -0.8725000E-01 1.808000      ?             ?      
1 1 1 14 55 28 o -0.6149000     1.828000      ?             ?      
1 1 1 14 55 29 o 2.782000       1.630000      ?             ?      
1 1 1 14 55 30 o 0.2457000      1.530000      ?             ?      
1 1 1 14 55 31 o 0.7047000      1.551000      ?             ?      
1 1 1 14 55 32 o -0.1105000     1.575000      ?             ?      
1 1 1 14 55 33 o -1.690000      1.600000      ?             ?      
1 1 1 14 55 34 o 2.794000       2.178000      ?             ?      
1 1 1 14 55 35 o 0.2770000      2.349000      ?             ?      
1 1 1 14 55 36 o -4.282000      3.276000      ?             ?      
1 1 1 14 55 37 o -2.234000      4.582000      ?             ?      
1 1 1 14 55 38 o 1.907000       2.612000      ?             ?      
1 1 1 14 55 39 o 1.605000       2.614000      ?             ?      
1 1 1 14 55 40 o -0.8100000     2.649000      ?             ?      
1 1 1 14 56 0  o 8.306000       2.752000      ?             ?      
1 1 1 14 56 1  o 1.882000       1.052000      ?             ?      
1 1 1 14 56 2  o 0.9240000      0.8571000     ?             ?      
1 1 1 14 56 3  o -0.8316000     0.8207000     ?             ?      
1 1 1 14 56 4  o 0.1400000      0.8720000     ?             ?      
1 1 1 14 56 5  o 0.3347000E-01  0.8788000     ?             ?      
1 1 1 14 56 6  o 0.1876000      0.8094000     ?             ?      
1 1 1 14 56 7  o 0.6263000      0.7908000     ?             ?      
1 1 1 14 56 8  o -0.3481000     0.7676000     ?             ?      
1 1 1 14 56 9  o 0.7966000      0.8454000     ?             ?      
1 1 1 14 56 10 o 0.9909000E-01  1.325000      ?             ?      
1 1 1 14 56 11 o 0.7550000      1.431000      ?             ?      
1 1 1 14 56 12 o -0.1440000     1.005000      ?             ?      
1 1 1 14 56 13 o 0.7560000      0.9522000     ?             ?      
1 1 1 14 56 14 o -0.2330000     1.248000      ?             ?      
1 1 1 14 56 15 o 0.4147000      1.266000      ?             ?      
1 1 1 14 56 16 o -2.075000      1.291000      ?             ?      
1 1 1 14 56 17 o -2.874000      1.742000      ?             ?      
1 1 1 14 56 18 o -0.3885000     1.814000      ?             ?      
1 1 1 14 56 19 o -0.5258000     1.833000      ?             ?      
1 1 1 14 56 20 o -1.444000      1.898000      ?             ?      
1 1 1 14 56 21 o -2.720000      1.374000      ?             ?      
1 1 1 14 56 22 o 0.9582000      2.265000      ?             ?      
1 1 1 14 56 23 o -1.238000      2.239000      ?             ?      
1 1 1 14 56 24 o 3.749000       2.259000      ?             ?      
1 1 1 14 56 25 o 0.6395000      1.804000      ?             ?      
1 1 1 14 56 26 o -1.092000      2.074000      ?             ?      
1 1 1 14 56 27 o 1.454000       1.542000      ?             ?      
1 1 1 14 56 28 o 1.093000       1.550000      ?             ?      
1 1 1 14 56 29 o -1.391000      1.552000      ?             ?      
1 1 1 14 56 30 o 0.2126000      1.547000      ?             ?      
1 1 1 14 56 31 o 0.9899000      1.564000      ?             ?      
1 1 1 14 56 32 o 0.2591000      2.177000      ?             ?      
1 1 1 14 56 33 o 1.541000       1.243000      ?             ?      
1 1 1 14 56 34 o 1.635000       1.355000      ?             ?      
1 1 1 14 56 35 o 2.741000       1.340000      ?             ?      
1 1 1 14 56 36 o -1.269000      1.211000      ?             ?      
1 1 1 14 56 37 o 1.857000       1.219000      ?             ?      
1 1 1 14 56 38 o 0.1749000      1.496000      ?             ?      
1 1 1 14 57 0  o -4.257000      2.274000      ?             ?      
1 1 1 14 57 1  o 0.4323000      0.9913000     ?             ?      
1 1 1 14 57 2  o 0.5877000      0.9183000     ?             ?      
1 1 1 14 57 3  o -0.9977000     0.8147000     ?             ?      
1 1 1 14 57 4  o -0.8391000     0.8855000     ?             ?      
1 1 1 14 57 5  o -0.6253000     0.8125000     ?             ?      
1 1 1 14 57 6  o 2.652000       0.7901000     ?             ?      
1 1 1 14 57 7  o -0.4572000     0.7699000     ?             ?      
1 1 1 14 57 8  o -0.4665000     0.7948000     ?             ?      
1 1 1 14 57 9  o 1.071000       0.8323000     ?             ?      
1 1 1 14 57 10 o 0.5173000      1.236000      ?             ?      
1 1 1 14 57 11 o 1.511000       1.413000      ?             ?      
1 1 1 14 57 12 o 0.5954000E-01  0.9960000     ?             ?      
1 1 1 14 57 13 o 0.2961000      0.9481000     ?             ?      
1 1 1 14 57 14 o 0.5566000      1.292000      ?             ?      
1 1 1 14 57 15 o -0.1757000     1.292000      ?             ?      
1 1 1 14 57 16 o 3.722000       1.848000      ?             ?      
1 1 1 14 57 17 o 1.466000       1.852000      ?             ?      
1 1 1 14 57 18 o -1.160000      1.416000      ?             ?      
1 1 1 14 57 19 o 1.087000       1.490000      ?             ?      
1 1 1 14 57 20 o -1.262000      2.040000      ?             ?      
1 1 1 14 57 21 o -2.379000      2.256000      ?             ?      
1 1 1 14 57 22 o -3.132000      1.745000      ?             ?      
1 1 1 14 57 23 o 0.1531000      2.128000      ?             ?      
1 1 1 14 57 24 o -0.1641000     2.205000      ?             ?      
1 1 1 14 57 25 o 0.3973000      1.583000      ?             ?      
1 1 1 14 57 26 o -4.320000      2.077000      ?             ?      
1 1 1 14 57 27 o -2.970000      2.104000      ?             ?      
1 1 1 14 57 28 o -3.378000      2.188000      ?             ?      
1 1 1 14 57 29 o -0.5436000     1.553000      ?             ?      
1 1 1 14 57 30 f -1.097000      2.148000      ?             ?      
1 1 1 14 57 31 o 2.015000       2.229000      ?             ?      
1 1 1 14 57 32 o 0.3340000      1.288000      ?             ?      
1 1 1 14 57 33 o 0.7934000      1.311000      ?             ?      
1 1 1 14 57 34 o 2.542000       1.413000      ?             ?      
1 1 1 14 57 35 o 0.8621000      1.281000      ?             ?      
1 1 1 14 57 36 o -0.7407000E-01 1.205000      ?             ?      
1 1 1 14 58 0  o 0.9776000      1.862000      ?             ?      
1 1 1 14 58 1  o 0.9695000      0.9682000     ?             ?      
1 1 1 14 58 2  o 1.460000       0.8936000     ?             ?      
1 1 1 14 58 3  o -1.427000      0.8643000     ?             ?      
1 1 1 14 58 4  o 0.3203000      0.8832000     ?             ?      
1 1 1 14 58 5  o 1.049000       0.8117000     ?             ?      
1 1 1 14 58 6  o 0.3755000      0.7688000     ?             ?      
1 1 1 14 58 7  o 0.4594000      0.7648000     ?             ?      
1 1 1 14 58 8  o 0.8971000      0.8015000     ?             ?      
1 1 1 14 58 9  o -0.8732000     0.8240000     ?             ?      
1 1 1 14 58 10 o -0.4298000     1.252000      ?             ?      
1 1 1 14 58 11 o 1.362000       1.118000      ?             ?      
1 1 1 14 58 12 o 0.4142000      0.9438000     ?             ?      
1 1 1 14 58 13 o -0.3142000     0.9468000     ?             ?      
1 1 1 14 58 14 o 0.9944000      1.298000      ?             ?      
1 1 1 14 58 15 o 0.1589000      1.301000      ?             ?      
1 1 1 14 58 16 o -1.466000      1.802000      ?             ?      
1 1 1 14 58 17 o -0.9426000     1.854000      ?             ?      
1 1 1 14 58 18 o -2.187000      1.366000      ?             ?      
1 1 1 14 58 19 o 1.127000       1.458000      ?             ?      
1 1 1 14 58 20 o 4.326000       2.096000      ?             ?      
1 1 1 14 58 21 o 1.110000       2.247000      ?             ?      
1 1 1 14 58 22 o -0.1293000     1.768000      ?             ?      
1 1 1 14 58 23 o 1.469000       2.199000      ?             ?      
1 1 1 14 58 24 o 0.4380000      1.493000      ?             ?      
1 1 1 14 58 25 o -0.8106000E-01 1.502000      ?             ?      
1 1 1 14 58 26 o -1.745000      2.142000      ?             ?      
1 1 1 14 58 27 o 1.674000       1.199000      ?             ?      
1 1 1 14 58 28 o 1.120000       1.208000      ?             ?      
1 1 1 14 58 29 o 0.4925000      1.201000      ?             ?      
1 1 1 14 58 30 o 1.086000       1.207000      ?             ?      
1 1 1 14 58 31 o 0.8750000      2.295000      ?             ?      
1 1 1 14 58 32 o 0.8965000      1.209000      ?             ?      
1 1 1 14 58 33 o 4.034000       1.315000      ?             ?      
1 1 1 14 58 34 o -1.810000      1.633000      ?             ?      
1 1 1 14 59 0  o 1.060000       1.845000      ?             ?      
1 1 1 14 59 1  o 1.484000       0.9551000     ?             ?      
1 1 1 14 59 2  o -0.5864000     0.8754000     ?             ?      
1 1 1 14 59 3  o 0.2725000      0.8718000     ?             ?      
1 1 1 14 59 4  o 1.357000       0.8780000     ?             ?      
1 1 1 14 59 5  o 0.2245000      0.9464000     ?             ?      
1 1 1 14 59 6  o 0.8480000      0.7742000     ?             ?      
1 1 1 14 59 7  o 1.558000       0.7701000     ?             ?      
1 1 1 14 59 8  o 0.3831000      0.7945000     ?             ?      
1 1 1 14 59 9  o 0.5119000      1.015000      ?             ?      
1 1 1 14 59 10 o 1.840000       1.418000      ?             ?      
1 1 1 14 59 11 o -1.278000      0.9816000     ?             ?      
1 1 1 14 59 12 o -0.1323000     0.9415000     ?             ?      
1 1 1 14 59 13 o -0.6970000E-01 0.9402000     ?             ?      
1 1 1 14 59 14 o 1.881000       1.309000      ?             ?      
1 1 1 14 59 15 o 3.073000       1.808000      ?             ?      
1 1 1 14 59 16 o 1.443000       1.850000      ?             ?      
1 1 1 14 59 17 o -0.5496000     1.421000      ?             ?      
1 1 1 14 59 18 o 0.2933000      1.393000      ?             ?      
1 1 1 14 59 19 o 0.7011000E-01  1.254000      ?             ?      
1 1 1 14 59 20 o 5.220000       2.280000      ?             ?      
1 1 1 14 59 21 o 0.4825000      1.760000      ?             ?      
1 1 1 14 59 22 o -0.1014000     2.234000      ?             ?      
1 1 1 14 59 23 o 3.732000       2.312000      ?             ?      
1 1 1 14 59 24 o 1.782000       2.077000      ?             ?      
1 1 1 14 59 25 o -1.800000      2.045000      ?             ?      
1 1 1 14 59 26 o -0.8702000     1.192000      ?             ?      
1 1 1 14 59 27 o 3.311000       2.146000      ?             ?      
1 1 1 14 59 28 o 2.510000       4.186000      ?             ?      
1 1 1 14 59 29 o 0.3935000      2.264000      ?             ?      
1 1 1 14 59 30 o 2.265000       1.177000      ?             ?      
1 1 1 14 59 31 o -0.5254000     1.149000      ?             ?      
1 1 1 14 60 0  o 1.197000       1.397000      ?             ?      
1 1 1 14 60 1  o -0.7670000     0.9400000     ?             ?      
1 1 1 14 60 2  o 1.179000       0.9810000     ?             ?      
1 1 1 14 60 3  o -0.7598000     0.9848000     ?             ?      
1 1 1 14 60 4  o -1.013000      0.8734000     ?             ?      
1 1 1 14 60 5  o 0.6381000      0.9638000     ?             ?      
1 1 1 14 60 6  o 0.2765000      0.7656000     ?             ?      
1 1 1 14 60 7  o 0.1284000      0.7572000     ?             ?      
1 1 1 14 60 8  o 1.040000       0.7894000     ?             ?      
1 1 1 14 60 9  o 0.8133000      1.085000      ?             ?      
1 1 1 14 60 10 o 0.4488000      1.422000      ?             ?      
1 1 1 14 60 11 o 1.701000       1.020000      ?             ?      
1 1 1 14 60 12 o 1.548000       0.9387000     ?             ?      
1 1 1 14 60 13 o -0.6608000     1.267000      ?             ?      
1 1 1 14 60 14 o -0.8937000     1.292000      ?             ?      
1 1 1 14 60 15 o 0.2160000      1.097000      ?             ?      
1 1 1 14 60 16 o 2.665000       1.251000      ?             ?      
1 1 1 14 60 17 o 1.788000       1.994000      ?             ?      
1 1 1 14 60 18 o -1.969000      1.977000      ?             ?      
1 1 1 14 60 19 o -0.1551000     2.046000      ?             ?      
1 1 1 14 60 20 o -0.7906000E-01 2.271000      ?             ?      
1 1 1 14 60 21 o -1.401000      2.291000      ?             ?      
1 1 1 14 60 22 o 3.134000       2.261000      ?             ?      
1 1 1 14 60 23 o 1.355000       2.091000      ?             ?      
1 1 1 14 60 24 o -1.137000      3.890000      ?             ?      
1 1 1 14 60 25 o 1.515000       2.089000      ?             ?      
1 1 1 14 60 26 o -2.310000      2.130000      ?             ?      
1 1 1 14 60 27 o 2.235000       2.260000      ?             ?      
1 1 1 14 60 28 o 2.281000       1.147000      ?             ?      
1 1 1 14 60 29 o 1.811000       1.131000      ?             ?      
1 1 1 14 61 0  o -0.6553000     1.394000      ?             ?      
1 1 1 14 61 1  o 0.5032000      1.033000      ?             ?      
1 1 1 14 61 2  o 1.123000       0.9712000     ?             ?      
1 1 1 14 61 3  o 1.922000       1.049000      ?             ?      
1 1 1 14 61 4  o -0.7047000     0.8122000     ?             ?      
1 1 1 14 61 5  o 1.975000       0.9869000     ?             ?      
1 1 1 14 61 6  o 0.3911000E-01  0.7897000     ?             ?      
1 1 1 14 61 7  o 1.470000       0.7810000     ?             ?      
1 1 1 14 61 8  o 1.233000       0.7606000     ?             ?      
1 1 1 14 61 9  o 1.279000       1.184000      ?             ?      
1 1 1 14 61 10 o 2.651000       1.979000      ?             ?      
1 1 1 14 61 11 o 0.7747000      1.160000      ?             ?      
1 1 1 14 61 12 o 1.885000       1.082000      ?             ?      
1 1 1 14 61 13 o -0.4973000     1.871000      ?             ?      
1 1 1 14 61 14 o 1.102000       1.117000      ?             ?      
1 1 1 14 61 15 o 0.7596000      1.221000      ?             ?      
1 1 1 14 61 16 o -1.814000      2.027000      ?             ?      
1 1 1 14 61 17 o -0.9909000     1.143000      ?             ?      
1 1 1 14 61 18 o -0.8851000     1.966000      ?             ?      
1 1 1 14 61 19 o 0.4527000      2.256000      ?             ?      
1 1 1 14 61 20 o 4.343000       2.250000      ?             ?      
1 1 1 14 61 21 o -1.592000      2.233000      ?             ?      
1 1 1 14 61 22 o -1.652000      1.161000      ?             ?      
1 1 1 14 61 23 o 1.849000       2.114000      ?             ?      
1 1 1 14 61 24 o -0.5408000     2.172000      ?             ?      
1 1 1 14 61 25 o -4.010000      2.220000      ?             ?      
1 1 1 14 61 26 f 2.577000       1.131000      ?             ?      
1 1 1 14 62 0  o 1.762000       1.175000      ?             ?      
1 1 1 14 62 1  o -0.7363000     0.9732000     ?             ?      
1 1 1 14 62 2  o -0.3925000     0.9712000     ?             ?      
1 1 1 14 62 3  o 1.566000       1.069000      ?             ?      
1 1 1 14 62 4  o -0.1232000     0.8231000     ?             ?      
1 1 1 14 62 5  o -0.4236000     0.9451000     ?             ?      
1 1 1 14 62 6  o 1.257000       0.7928000     ?             ?      
1 1 1 14 62 7  o -0.7489000     0.7777000     ?             ?      
1 1 1 14 62 8  o 1.324000       0.7719000     ?             ?      
1 1 1 14 62 9  o 0.8009000      1.241000      ?             ?      
1 1 1 14 62 10 o 0.2164000E-01  1.939000      ?             ?      
1 1 1 14 62 11 o -0.1016000     1.151000      ?             ?      
1 1 1 14 62 12 o 0.6644000      1.077000      ?             ?      
1 1 1 14 62 13 o -2.519000      1.896000      ?             ?      
1 1 1 14 62 14 o 0.5771000      1.115000      ?             ?      
1 1 1 14 62 15 o 0.7972000      1.230000      ?             ?      
1 1 1 14 62 16 o 1.688000       1.995000      ?             ?      
1 1 1 14 62 17 o -0.9515000     1.999000      ?             ?      
1 1 1 14 62 18 o 0.8877000      2.017000      ?             ?      
1 1 1 14 62 19 o -0.5144000     2.247000      ?             ?      
1 1 1 14 62 20 o 0.8923000      2.306000      ?             ?      
1 1 1 14 62 21 o -4.442000      4.002000      ?             ?      
1 1 1 14 62 22 o -4.257000      2.137000      ?             ?      
1 1 1 14 62 23 o -0.5136000     1.320000      ?             ?      
1 1 1 14 63 0  o 0.9502000      1.155000      ?             ?      
1 1 1 14 63 1  o -1.523000      0.9302000     ?             ?      
1 1 1 14 63 2  o -0.1721000     1.160000      ?             ?      
1 1 1 14 63 3  o -1.525000      1.038000      ?             ?      
1 1 1 14 63 4  o -0.2618000     0.8172000     ?             ?      
1 1 1 14 63 5  o 0.8211000      0.8043000     ?             ?      
1 1 1 14 63 6  o 0.8635000      0.7956000     ?             ?      
1 1 1 14 63 7  o -1.021000      0.7810000     ?             ?      
1 1 1 14 63 8  o 0.3078000      0.7782000     ?             ?      
1 1 1 14 63 9  o -1.277000      1.934000      ?             ?      
1 1 1 14 63 10 o -0.4276000     1.377000      ?             ?      
1 1 1 14 63 11 o 0.4706000      0.7799000     ?             ?      
1 1 1 14 63 12 o 0.4218000      1.068000      ?             ?      
1 1 1 14 63 13 o 1.234000       0.7149000     ?             ?      
1 1 1 14 63 14 o -0.3769000E-02 1.208000      ?             ?      
1 1 1 14 63 15 o -0.3925000     2.010000      ?             ?      
1 1 1 14 63 16 o 3.380000       2.045000      ?             ?      
1 1 1 14 63 17 o 2.970000       2.087000      ?             ?      
1 1 1 14 63 18 o 1.817000       4.154000      ?             ?      
1 1 1 14 63 19 o -1.618000      2.348000      ?             ?      
1 1 1 14 64 0  o 2.688000       1.161000      ?             ?      
1 1 1 14 64 1  o 0.3388000      0.8955000     ?             ?      
1 1 1 14 64 2  o 0.5373000      1.037000      ?             ?      
1 1 1 14 64 3  o 1.396000       1.137000      ?             ?      
1 1 1 14 64 4  o 1.962000       1.066000      ?             ?      
1 1 1 14 64 5  o 1.221000       0.8183000     ?             ?      
1 1 1 14 64 6  o -0.9718000     0.8073000     ?             ?      
1 1 1 14 64 7  o 2.434000       0.7937000     ?             ?      
1 1 1 14 64 8  o -0.4054000     0.8635000     ?             ?      
1 1 1 14 64 9  o 1.722000       1.959000      ?             ?      
1 1 1 14 64 10 o 1.753000       1.285000      ?             ?      
1 1 1 14 64 11 o 2.906000       1.876000      ?             ?      
1 1 1 14 64 12 o -4.224000      3.646000      ?             ?      
1 1 1 14 64 13 o 0.3839000      1.169000      ?             ?      
1 1 1 14 64 14 o 0.8714000      1.207000      ?             ?      
1 1 1 14 65 0  o -0.3369000E-01 1.188000      ?             ?      
1 1 1 14 65 1  o 1.371000       0.9488000     ?             ?      
1 1 1 14 65 2  o 3.215000       1.410000      ?             ?      
1 1 1 14 65 3  o 2.050000       1.160000      ?             ?      
1 1 1 14 65 4  o 0.1606000E-01  1.055000      ?             ?      
1 1 1 14 65 5  o 0.5641000      0.8220000     ?             ?      
1 1 1 14 65 6  o -0.2407000     1.432000      ?             ?      
1 1 1 15 0  1  o 0.5462000      0.4853000     66.85936      90.0   
1 1 1 15 0  2  o -0.2043000     0.4812000     232.6957      180.0  
1 1 1 15 0  3  o 0.1800000      0.4719000     1.887877      90.0   
1 1 1 15 0  4  o 0.5529000      0.4653000     143.0850      0.0    
1 1 1 15 0  5  o -0.1061000     0.4675000     17.61935      -90.0  
1 1 1 15 0  6  o 0.4319000      0.4846000     153.4936      -180.0 
1 1 1 15 0  7  o 0.6160000      0.5190000     170.2562      90.0   
1 1 1 15 0  8  o 0.3522000      0.5033000     70.41932      180.0  
1 1 1 15 0  9  o 3.177000       0.5375000     182.2906      -90.0  
1 1 1 15 0  10 o 0.2926000      0.5379000     140.2459      180.0  
1 1 1 15 0  11 o -1.155000      0.5782000     139.2944      90.0   
1 1 1 15 0  12 o 1.114000       0.6345000     181.7589      0.0    
1 1 1 15 0  13 o 0.6689000E-02  0.6507000     112.8429      90.0   
1 1 1 15 0  14 o 0.7540000      0.6815000     3.887174      180.0  
1 1 1 15 0  15 o 2.467000       0.8281000     13.69093      -90.0  
1 1 1 15 0  16 o 0.4787000      0.7753000     108.3568      180.0  
1 1 1 15 0  17 o -0.6294000     0.8192000     260.7885      -90.0  
1 1 1 15 0  18 o 0.9058000      0.8865000     165.8283      -180.0 
1 1 1 15 0  19 o 7.211000       1.136000      202.0940      90.0   
1 1 1 15 0  20 o 1.511000       1.017000      48.10416      0.0    
1 1 1 15 0  21 o -0.3962000     1.086000      47.61935      90.0   
1 1 1 15 0  22 o 7.809000       1.252000      43.52319      180.0  
1 1 1 15 0  23 o 3.916000       1.269000      92.24650      -90.0  
1 1 1 15 0  24 o 3.904000       1.354000      414.6361      0.0    
1 1 1 15 0  25 o 2.332000       1.501000      106.9520      -90.0  
1 1 1 15 0  26 o 17.38000       1.986000      223.1165      180.0  
1 1 1 15 0  27 o 4.384000       2.837000      104.6242      90.0   
1 1 1 15 0  28 o -0.7920000     3.718000      90.10795      0.0    
1 1 1 15 0  29 o 3.630000       2.096000      22.21418      90.0   
1 1 1 15 0  30 o 6.044000       1.810000      248.8315      180.0  
1 1 1 15 0  31 o -2.275000      1.788000      178.7549      90.0   
1 1 1 15 0  32 o -1.507000      1.690000      258.5536      -0.0   
1 1 1 15 0  33 o 3.578000       1.569000      88.53910      -90.0  
1 1 1 15 0  34 o 2.295000       1.575000      64.72256      -180.0 
1 1 1 15 0  35 o 3.451000       1.539000      61.84600      -90.0  
1 1 1 15 0  36 o 3.916000       1.519000      0.5584592     180.0  
1 1 1 15 0  37 o -0.5835000     1.458000      217.2860      90.0   
1 1 1 15 0  38 o -1.328000      1.470000      45.26354      0.0    
1 1 1 15 0  39 o 3.329000       1.472000      168.6735      90.0   
1 1 1 15 0  40 o -1.247000      1.473000      216.7547      -180.0 
1 1 1 15 0  41 o 1.729000       1.505000      58.30406      90.0   
1 1 1 15 0  42 o 1.531000       1.759000      274.7814      180.0  
1 1 1 15 0  43 o -0.2293000     1.793000      161.2714      -90.0  
1 1 1 15 0  44 o -0.1292000     1.602000      163.6502      -0.0   
1 1 1 15 0  45 o 0.8621000      2.244000      22.74677      90.0   
1 1 1 15 0  46 o 5.140000       3.247000      222.4180      0.0    
1 1 1 15 0  47 o -0.7576000     3.557000      30.71533      90.0   
1 1 1 15 0  48 o -0.5549000     2.372000      104.6195      0.0    
1 1 1 15 0  49 o -0.2197000     1.750000      17.17093      -90.0  
1 1 1 15 0  50 o 1.884000       1.977000      295.4728      -0.0   
1 1 1 15 0  51 o 0.7334000      2.003000      162.6241      90.0   
1 1 1 15 0  52 o 1.120000       1.833000      185.0015      -0.0   
1 1 1 15 0  53 o -0.1367000     1.855000      58.78550      90.0   
1 1 1 15 0  54 o 1.539000       1.919000      89.44413      180.0  
1 1 1 15 0  55 o 4.770000       1.963000      123.6726      -90.0  
1 1 1 15 0  56 o 1.986000       1.992000      75.93111      180.0  
1 1 1 15 0  57 o -0.4614000     1.988000      33.88440      -90.0  
1 1 1 15 0  58 o 1.072000       1.984000      134.2958      -0.0   
1 1 1 15 0  59 o 1.344000       1.957000      ?             ?      
1 1 1 15 0  60 o -1.331000      1.949000      ?             ?      
1 1 1 15 0  61 o 0.5742000      2.119000      ?             ?      
1 1 1 15 0  62 o -0.9290000     2.704000      ?             ?      
1 1 1 15 0  63 o -1.823000      2.948000      ?             ?      
1 1 1 15 0  64 o -0.5548000     2.182000      ?             ?      
1 1 1 15 0  65 o 1.535000       1.836000      ?             ?      
1 1 1 15 0  66 f 1.206000       1.820000      ?             ?      
1 1 1 15 0  67 o -0.3234000     1.830000      ?             ?      
1 1 1 15 0  68 o 1.884000       1.884000      ?             ?      
1 1 1 15 0  69 o -1.528000      1.861000      ?             ?      
1 1 1 15 0  70 o -2.029000      1.859000      ?             ?      
1 1 1 15 0  71 o -2.539000      1.894000      ?             ?      
1 1 1 15 0  72 o -0.7440000     1.899000      ?             ?      
1 1 1 15 0  73 o 1.002000       1.951000      ?             ?      
1 1 1 15 0  74 o 0.6273000      1.949000      ?             ?      
1 1 1 15 1  0  o 0.3936000      0.4841000     56.69874      90.0   
1 1 1 15 1  1  o 0.6754000      0.3471000     220.1118      15.7   
1 1 1 15 1  2  o -0.1598000     0.3475000     151.2905      -129.3 
1 1 1 15 1  3  o 0.2443000      0.3370000     110.4969      44.0   
1 1 1 15 1  4  o -0.6721000E-02 0.3321000     196.2249      -22.9  
1 1 1 15 1  5  o -0.1519000     0.3347000     258.3332      -11.4  
1 1 1 15 1  6  o 0.8518000      0.3467000     206.1039      -102.8 
1 1 1 15 1  7  o 1.610000       0.3745000     191.8743      14.9   
1 1 1 15 1  8  o 0.5520000      0.3601000     78.75114      23.9   
1 1 1 15 1  9  o 3.805000       0.4060000     453.6097      67.9   
1 1 1 15 1  10 o 1.114000       0.3934000     140.8563      82.6   
1 1 1 15 1  11 o 1.322000       0.4180000     218.3612      58.3   
1 1 1 15 1  12 o 2.142000       0.4437000     319.1850      -140.0 
1 1 1 15 1  13 o 1.058000       0.4656000     191.6917      -86.8  
1 1 1 15 1  14 o 3.637000       0.5466000     317.9857      -167.4 
1 1 1 15 1  15 o 3.032000       0.5306000     98.91190      -175.2 
1 1 1 15 1  16 o 3.861000       0.5679000     359.2650      97.5   
1 1 1 15 1  17 o 1.050000       0.5856000     161.7340      -100.6 
1 1 1 15 1  18 o 9.329000       0.7815000     509.5264      178.1  
1 1 1 15 1  19 o -0.2495000     0.6732000     116.5681      45.4   
1 1 1 15 1  20 o 4.168000       0.7380000     308.0345      -171.2 
1 1 1 15 1  21 o 3.636000       0.7841000     402.8856      17.7   
1 1 1 15 1  22 o 6.563000       0.9278000     428.4529      -108.1 
1 1 1 15 1  23 o 3.174000       0.9172000     261.8239      127.1  
1 1 1 15 1  24 o 6.677000       0.9881000     376.9427      5.6    
1 1 1 15 1  25 o 16.86000       1.230000      508.3485      -3.4   
1 1 1 15 1  26 o 0.3328000      1.379000      99.26661      61.8   
1 1 1 15 1  27 o 0.5663000      2.074000      167.6013      -118.9 
1 1 1 15 1  28 o -0.7344000     2.078000      227.6199      -107.8 
1 1 1 15 1  29 o 1.500000       1.684000      193.2969      16.6   
1 1 1 15 1  30 o 2.408000       1.399000      128.5455      -112.6 
1 1 1 15 1  31 o 3.427000       1.254000      264.7739      129.6  
1 1 1 15 1  32 o 17.97000       1.376000      538.7070      -12.2  
1 1 1 15 1  33 o 6.794000       1.124000      196.8297      113.1  
1 1 1 15 1  34 o 4.039000       1.106000      231.2427      178.1  
1 1 1 15 1  35 o 3.491000       1.099000      162.3005      -171.3 
1 1 1 15 1  36 o 7.764000       1.107000      469.3168      -46.0  
1 1 1 15 1  37 o 1.714000       1.066000      85.17210      -112.0 
1 1 1 15 1  38 o 0.9873000      1.061000      156.5432      -103.5 
1 1 1 15 1  39 o -0.6629000     1.140000      72.66556      11.6   
1 1 1 15 1  40 o 1.618000       1.142000      112.4709      70.0   
1 1 1 15 1  41 o -1.493000      1.068000      200.8548      -21.0  
1 1 1 15 1  42 o 1.791000       1.177000      216.8268      -24.6  
1 1 1 15 1  43 o -0.2691000     1.190000      200.3992      47.5   
1 1 1 15 1  44 o 2.656000       1.243000      284.1962      160.0  
1 1 1 15 1  45 o -0.2301000     1.722000      39.10811      -164.3 
1 1 1 15 1  46 o 1.542000       1.955000      51.48193      -13.6  
1 1 1 15 1  47 o 0.8450000E-01  2.437000      184.2517      -110.1 
1 1 1 15 1  48 o -2.485000      2.523000      67.88755      58.5   
1 1 1 15 1  49 o -0.4898000E-01 1.344000      54.76726      -148.6 
1 1 1 15 1  50 o -1.012000      1.332000      159.5327      -67.5  
1 1 1 15 1  51 o 3.469000       1.283000      256.8412      146.9  
1 1 1 15 1  52 o 3.009000       1.372000      276.3452      -92.1  
1 1 1 15 1  53 o -0.2058000     1.388000      23.46640      67.4   
1 1 1 15 1  54 o 3.179000       1.339000      222.6039      96.9   
1 1 1 15 1  55 o 2.163000       1.378000      150.3844      -85.6  
1 1 1 15 1  56 o -1.756000      1.392000      62.72296      -72.4  
1 1 1 15 1  57 o 2.449000       1.407000      161.6201      122.7  
1 1 1 15 1  58 o 1.158000       1.393000      181.5680      -105.9 
1 1 1 15 1  59 o -1.075000      1.384000      ?             ?      
1 1 1 15 1  60 o -0.2516000     1.373000      ?             ?      
1 1 1 15 1  61 o 0.6361000      1.430000      ?             ?      
1 1 1 15 1  62 o -0.8031000     2.198000      ?             ?      
1 1 1 15 1  63 o -0.8978000     2.299000      ?             ?      
1 1 1 15 1  64 o 0.5508000      1.455000      ?             ?      
1 1 1 15 1  65 o -2.429000      1.427000      ?             ?      
1 1 1 15 1  66 o 1.470000       1.293000      ?             ?      
1 1 1 15 1  67 o 0.3395000      1.303000      ?             ?      
1 1 1 15 1  68 o -0.1711000     1.309000      ?             ?      
1 1 1 15 1  69 o -0.5436000     1.314000      ?             ?      
1 1 1 15 1  70 o 1.427000       1.338000      ?             ?      
1 1 1 15 1  71 o 2.133000       1.347000      ?             ?      
1 1 1 15 1  72 o 0.5804000      1.356000      ?             ?      
1 1 1 15 1  73 o 1.813000       1.381000      ?             ?      
1 1 1 15 1  74 o -1.451000      1.392000      ?             ?      
1 1 1 15 2  0  o 1.527000       0.4968000     272.5403      90.0   
1 1 1 15 2  1  o 1.851000       0.3871000     397.6465      -177.7 
1 1 1 15 2  2  o 1.617000       0.3583000     253.0592      151.8  
1 1 1 15 2  3  o 5.260000       0.3758000     392.0967      15.1   
1 1 1 15 2  4  o 2.804000       0.3498000     577.6835      -5.7   
1 1 1 15 2  5  o 1.764000       0.3734000     405.2805      117.7  
1 1 1 15 2  6  o 8.690000       0.4148000     567.8152      64.6   
1 1 1 15 2  7  o 9.912000       0.4411000     504.5284      139.6  
1 1 1 15 2  8  o 2.109000       0.3659000     283.6160      168.3  
1 1 1 15 2  9  o 21.88000       0.6757000     811.6691      -149.4 
1 1 1 15 2  10 o 1.510000       0.3902000     237.3170      90.3   
1 1 1 15 2  11 o 2.744000       0.4469000     198.9550      -4.3   
1 1 1 15 2  12 o 5.571000       0.4761000     344.8661      -165.6 
1 1 1 15 2  13 o 2.990000       0.4781000     240.0964      -114.3 
1 1 1 15 2  14 o 1.948000       0.4963000     263.1495      72.6   
1 1 1 15 2  15 o 6.308000       0.5639000     213.0762      161.8  
1 1 1 15 2  16 o 5.759000       0.5903000     604.5124      -29.9  
1 1 1 15 2  17 o 6.159000       0.6257000     219.7035      -75.5  
1 1 1 15 2  18 o 8.659000       0.6936000     746.9032      139.8  
1 1 1 15 2  19 o 9.057000       0.7356000     528.3069      57.0   
1 1 1 15 2  20 o 9.837000       0.7939000     555.0310      -51.2  
1 1 1 15 2  21 o 10.26000       0.8524000     415.7928      160.3  
1 1 1 15 2  22 o 2.815000       0.8923000     269.8506      -127.9 
1 1 1 15 2  23 o 28.59000       1.311000      688.1207      37.1   
1 1 1 15 2  24 o 2.001000       1.038000      262.9270      -20.8  
1 1 1 15 2  25 o 8.157000       1.135000      500.2206      -100.1 
1 1 1 15 2  26 o 4.420000       1.356000      306.0334      -117.6 
1 1 1 15 2  27 o 18.64000       1.872000      659.6885      12.6   
1 1 1 15 2  28 o 7.254000       2.199000      498.7447      -117.1 
1 1 1 15 2  29 o 15.75000       1.743000      449.8535      -35.9  
1 1 1 15 2  30 o 21.66000       1.547000      666.8451      155.5  
1 1 1 15 2  31 o 66.80000       1.977000      1133.093      31.5   
1 1 1 15 2  32 o 2.621000       1.192000      449.0229      -100.2 
1 1 1 15 2  33 o 7.018000       1.125000      656.6106      -153.8 
1 1 1 15 2  34 o 9.259000       1.143000      538.3957      152.1  
1 1 1 15 2  35 o 4.937000       1.100000      268.4518      6.0    
1 1 1 15 2  36 o 2.446000       1.081000      204.2243      34.0   
1 1 1 15 2  37 o 1.400000       1.161000      247.8216      23.9   
1 1 1 15 2  38 o 2.796000       1.175000      144.1130      -29.4  
1 1 1 15 2  39 o -1.089000      1.057000      328.1094      153.3  
1 1 1 15 2  40 o 1.120000       1.146000      187.9424      171.6  
1 1 1 15 2  41 o 2.632000       1.087000      237.0049      96.4   
1 1 1 15 2  42 o 2.026000       1.091000      240.4141      123.8  
1 1 1 15 2  43 o 4.543000       1.194000      262.1522      -46.5  
1 1 1 15 2  44 o 5.363000       1.147000      202.0418      89.9   
1 1 1 15 2  45 o -0.3579000E-01 1.423000      212.0415      -16.1  
1 1 1 15 2  46 o 0.6280000      1.759000      135.2744      -20.8  
1 1 1 15 2  47 o 2.569000       2.063000      286.1979      46.6   
1 1 1 15 2  48 o 1.212000       1.668000      217.8353      -78.5  
1 1 1 15 2  49 o 6.407000       1.555000      258.4300      82.4   
1 1 1 15 2  50 o 0.7092000      1.334000      168.6188      -157.9 
1 1 1 15 2  51 o -0.4734000     1.257000      126.7208      -56.3  
1 1 1 15 2  52 o 0.3476000      1.395000      19.91298      -50.7  
1 1 1 15 2  53 o 2.889000       1.435000      148.9756      93.9   
1 1 1 15 2  54 o 0.4986000      1.343000      104.8598      -33.9  
1 1 1 15 2  55 o 3.378000       1.475000      88.28619      75.0   
1 1 1 15 2  56 o 0.3778000E-01  1.396000      48.78946      82.9   
1 1 1 15 2  57 o 3.832000       1.421000      247.4095      -103.9 
1 1 1 15 2  58 o 1.689000       1.401000      222.2790      62.4   
1 1 1 15 2  59 o 1.099000       1.395000      ?             ?      
1 1 1 15 2  60 o 2.597000       1.394000      ?             ?      
1 1 1 15 2  61 o -0.6825000     1.444000      ?             ?      
1 1 1 15 2  62 o 3.040000       2.140000      ?             ?      
1 1 1 15 2  63 o -2.632000      2.247000      ?             ?      
1 1 1 15 2  64 o 0.2356000      1.731000      ?             ?      
1 1 1 15 2  65 o -0.7853000     1.413000      ?             ?      
1 1 1 15 2  66 o -0.5082000     1.298000      ?             ?      
1 1 1 15 2  67 o 0.6402000E-01  1.308000      ?             ?      
1 1 1 15 2  68 o 0.4384000      1.313000      ?             ?      
1 1 1 15 2  69 o -0.6402000     1.340000      ?             ?      
1 1 1 15 2  70 o 1.176000       1.353000      ?             ?      
1 1 1 15 2  71 o 2.341000       1.353000      ?             ?      
1 1 1 15 2  72 o 1.340000       1.930000      ?             ?      
1 1 1 15 2  73 o -4.097000      1.916000      ?             ?      
1 1 1 15 2  74 o -1.569000      1.392000      ?             ?      
1 1 1 15 3  0  o 12.03000       0.6357000     609.4687      -90.0  
1 1 1 15 3  1  o 0.7282000      0.3560000     224.1600      131.4  
1 1 1 15 3  2  o 1.760000       0.3681000     636.8560      -152.5 
1 1 1 15 3  3  o 12.07000       0.4564000     641.4895      149.8  
1 1 1 15 3  4  o 9.750000       0.4528000     650.0792      21.9   
1 1 1 15 3  5  o 13.32000       0.5439000     788.4379      -30.5  
1 1 1 15 3  6  o 28.06000       0.6727000     862.8833      -162.7 
1 1 1 15 3  7  o 10.37000       0.4723000     456.3508      -40.0  
1 1 1 15 3  8  o 7.006000       0.4090000     240.2476      -77.3  
1 1 1 15 3  9  o 3.400000       0.4019000     339.0692      112.0  
1 1 1 15 3  10 o 1.073000       0.4015000     43.30083      -127.2 
1 1 1 15 3  11 o 39.26000       1.127000      1003.798      3.0    
1 1 1 15 3  12 o 17.22000       0.7266000     920.2936      -83.9  
1 1 1 15 3  13 o 6.044000       0.5132000     668.3676      -156.9 
1 1 1 15 3  14 o 4.631000       0.5215000     644.7205      -150.4 
1 1 1 15 3  15 o 25.85000       0.8735000     735.5320      18.6   
1 1 1 15 3  16 o 1.264000       0.5614000     272.0894      -146.6 
1 1 1 15 3  17 o 9.290000       0.6559000     751.5115      -151.9 
1 1 1 15 3  18 o 4.496000       0.6518000     440.7637      -144.4 
1 1 1 15 3  19 o 6.415000       0.7191000     212.5358      -159.1 
1 1 1 15 3  20 o 44.24000       1.252000      1006.854      -179.8 
1 1 1 15 3  21 o 31.25000       1.105000      971.6272      -38.1  
1 1 1 15 3  22 o 6.423000       0.8705000     48.25995      160.5  
1 1 1 15 3  23 o 1.658000       0.9050000     253.5167      -121.2 
1 1 1 15 3  24 o 4.673000       1.069000      349.8649      -149.2 
1 1 1 15 3  25 o 1.683000       1.171000      96.27578      -79.5  
1 1 1 15 3  26 o 17.09000       1.645000      476.0947      153.4  
1 1 1 15 3  27 o 17.38000       1.609000      665.6061      -0.1   
1 1 1 15 3  28 o 7.309000       1.647000      476.1825      8.9    
1 1 1 15 3  29 o 38.27000       1.941000      948.7485      -94.2  
1 1 1 15 3  30 o 47.48000       1.969000      1107.359      160.8  
1 1 1 15 3  31 o 14.81000       1.387000      376.5403      -34.3  
1 1 1 15 3  32 o 2.530000       1.149000      507.7643      -107.8 
1 1 1 15 3  33 o 5.912000       1.116000      151.1744      -21.4  
1 1 1 15 3  34 o 18.10000       1.227000      711.3928      89.2   
1 1 1 15 3  35 o 3.223000       1.189000      196.9185      -56.8  
1 1 1 15 3  36 o 4.081000       1.092000      458.6192      167.3  
1 1 1 15 3  37 o 2.802000       1.173000      245.0574      -66.2  
1 1 1 15 3  38 o 17.79000       1.298000      533.4378      -44.5  
1 1 1 15 3  39 o 13.89000       1.158000      734.3841      145.0  
1 1 1 15 3  40 o 3.604000       1.139000      367.6049      -8.6   
1 1 1 15 3  41 o 4.398000       1.165000      324.8814      -135.8 
1 1 1 15 3  42 o 1.908000       1.079000      216.3117      -95.4  
1 1 1 15 3  43 o 0.8079000      1.143000      237.7063      -169.6 
1 1 1 15 3  44 o 2.864000       1.182000      185.0702      146.7  
1 1 1 15 3  45 o 2.893000       1.414000      135.2227      -129.1 
1 1 1 15 3  46 o 5.874000       1.488000      350.1310      73.6   
1 1 1 15 3  47 o 4.138000       1.347000      218.8885      165.1  
1 1 1 15 3  48 o -1.439000      1.537000      30.04274      53.2   
1 1 1 15 3  49 o 7.310000       1.671000      441.5756      -118.4 
1 1 1 15 3  50 o 1.754000       1.422000      38.19154      127.1  
1 1 1 15 3  51 o 1.575000       1.267000      59.22511      -108.1 
1 1 1 15 3  52 o 4.748000       1.408000      264.4229      -65.0  
1 1 1 15 3  53 o 2.506000       1.314000      249.7072      -154.7 
1 1 1 15 3  54 o 1.248000       1.442000      81.64741      118.8  
1 1 1 15 3  55 o 2.397000       1.480000      214.2456      -98.2  
1 1 1 15 3  56 o 0.8908000      1.402000      216.1444      -47.9  
1 1 1 15 3  57 o -0.4793000     1.481000      16.64164      88.1   
1 1 1 15 3  58 o 6.322000       1.498000      235.4174      -81.8  
1 1 1 15 3  59 o 2.776000       1.391000      ?             ?      
1 1 1 15 3  60 o 0.9390000      1.466000      ?             ?      
1 1 1 15 3  61 o 7.408000       1.798000      ?             ?      
1 1 1 15 3  62 o 0.6631000E-02  1.760000      ?             ?      
1 1 1 15 3  63 o 2.042000       1.554000      ?             ?      
1 1 1 15 3  64 o 0.5832000      1.658000      ?             ?      
1 1 1 15 3  65 o -1.610000      1.431000      ?             ?      
1 1 1 15 3  66 o -0.1307000     1.308000      ?             ?      
1 1 1 15 3  67 o 0.7826000      1.300000      ?             ?      
1 1 1 15 3  68 o 3.793000       1.333000      ?             ?      
1 1 1 15 3  69 o 2.545000       1.348000      ?             ?      
1 1 1 15 3  70 o 6.190000       1.382000      ?             ?      
1 1 1 15 3  71 o 2.572000       1.358000      ?             ?      
1 1 1 15 3  72 o -0.7765000E-02 1.455000      ?             ?      
1 1 1 15 3  73 o 0.5824000      1.368000      ?             ?      
1 1 1 15 3  74 o 2.931000       1.507000      ?             ?      
1 1 1 15 4  0  o -0.3293000     0.4998000     113.6532      -90.0  
1 1 1 15 4  1  o 12.67000       0.5876000     731.2675      7.4    
1 1 1 15 4  2  o 7.911000       0.4106000     430.9011      41.5   
1 1 1 15 4  3  o 2.584000       0.3660000     449.3535      58.9   
1 1 1 15 4  4  f 35.26000       0.9040000     661.9261      -118.1 
1 1 1 15 4  5  o 0.6888000      0.3552000     78.80362      122.3  
1 1 1 15 4  6  o 70.59000       1.333000      1468.662      39.5   
1 1 1 15 4  7  o 17.86000       0.5391000     1065.743      -154.1 
1 1 1 15 4  8  o 9.930000       0.4608000     399.6422      -157.4 
1 1 1 15 4  9  o 27.64000       0.7657000     1099.316      170.3  
1 1 1 15 4  10 o 61.31000       1.300000      1164.882      65.6   
1 1 1 15 4  11 o 23.47000       0.7384000     928.2540      70.2   
1 1 1 15 4  12 o 103.3000       2.550000      1546.425      -125.8 
1 1 1 15 4  13 o 22.06000       0.8074000     859.6667      -100.8 
1 1 1 15 4  14 o 51.89000       1.342000      1295.660      50.9   
1 1 1 15 4  15 o 54.65000       1.519000      1051.579      77.1   
1 1 1 15 4  16 o 4.270000       0.5842000     42.23974      -129.7 
1 1 1 15 4  17 o 17.23000       0.7380000     584.5225      173.2  
1 1 1 15 4  18 o 7.764000       0.6824000     432.6154      -32.2  
1 1 1 15 4  19 o 34.28000       1.143000      704.9717      65.6   
1 1 1 15 4  20 o 62.86000       1.693000      1153.174      -23.4  
1 1 1 15 4  21 o 25.34000       1.023000      850.4449      123.1  
1 1 1 15 4  22 o 93.62000       2.373000      1422.741      -26.1  
1 1 1 15 4  23 o 20.93000       1.077000      1057.161      64.7   
1 1 1 15 4  24 o 141.5000       3.564000      2218.132      -37.1  
1 1 1 15 4  25 o 1.504000       1.231000      373.5078      -98.4  
1 1 1 15 4  26 o 38.24000       1.806000      714.2510      82.9   
1 1 1 15 4  27 o 32.90000       1.689000      631.8047      -34.2  
1 1 1 15 4  28 o 62.00000       2.012000      1055.867      -74.5  
1 1 1 15 4  29 o 6.170000       1.621000      412.5099      -88.5  
1 1 1 15 4  30 o 27.08000       1.834000      660.4008      77.5   
1 1 1 15 4  31 o 35.72000       1.620000      1060.806      14.8   
1 1 1 15 4  32 o 37.14000       1.593000      912.7050      133.2  
1 1 1 15 4  33 o 10.04000       1.205000      347.9161      -157.3 
1 1 1 15 4  34 o 13.19000       1.153000      537.3758      75.2   
1 1 1 15 4  35 o 32.54000       1.492000      860.8400      -105.0 
1 1 1 15 4  36 o 4.624000       1.188000      91.50420      -41.7  
1 1 1 15 4  37 o 11.23000       1.145000      472.4111      -123.4 
1 1 1 15 4  38 o 7.891000       1.199000      332.2339      -56.0  
1 1 1 15 4  39 o 5.044000       1.081000      172.2702      98.4   
1 1 1 15 4  40 o 3.428000       1.121000      196.2887      14.3   
1 1 1 15 4  41 o 16.40000       1.247000      825.0999      64.9   
1 1 1 15 4  42 o 11.01000       1.130000      369.0345      -148.3 
1 1 1 15 4  43 o 10.65000       1.140000      477.1622      -60.4  
1 1 1 15 4  44 o 0.5137000      1.246000      267.1001      71.6   
1 1 1 15 4  45 o 7.512000       1.456000      440.2798      -167.7 
1 1 1 15 4  46 f 12.02000       1.306000      734.1481      -80.8  
1 1 1 15 4  47 o 9.911000       1.304000      355.0095      -71.5  
1 1 1 15 4  48 o 1.505000       1.616000      31.73510      -139.1 
1 1 1 15 4  49 o 18.83000       1.808000      656.9944      109.4  
1 1 1 15 4  50 o 2.660000       1.352000      205.7511      -117.8 
1 1 1 15 4  51 o 13.45000       1.444000      450.7710      18.5   
1 1 1 15 4  52 o 2.114000       1.375000      226.2913      -87.0  
1 1 1 15 4  53 o 8.494000       1.343000      418.6793      -140.0 
1 1 1 15 4  54 o 8.199000       1.499000      358.8480      -22.8  
1 1 1 15 4  55 o 9.443000       1.558000      445.1068      40.7   
1 1 1 15 4  56 o 2.801000       1.429000      342.3513      166.5  
1 1 1 15 4  57 o 3.494000       1.531000      154.2871      -141.0 
1 1 1 15 4  58 o 2.443000       1.522000      244.0943      -40.9  
1 1 1 15 4  59 o 12.42000       1.701000      ?             ?      
1 1 1 15 4  60 o 2.208000       1.491000      ?             ?      
1 1 1 15 4  61 o 2.221000       1.707000      ?             ?      
1 1 1 15 4  62 o 4.209000       1.488000      ?             ?      
1 1 1 15 4  63 o -0.4690000E-01 1.458000      ?             ?      
1 1 1 15 4  64 o 4.448000       1.767000      ?             ?      
1 1 1 15 4  65 o -0.8139000E-03 1.714000      ?             ?      
1 1 1 15 4  66 o 0.8424000      1.424000      ?             ?      
1 1 1 15 4  67 o -0.2606000E-02 1.307000      ?             ?      
1 1 1 15 4  68 o -0.7051000     1.325000      ?             ?      
1 1 1 15 4  69 o 1.091000       1.332000      ?             ?      
1 1 1 15 4  70 o -0.1637000     1.338000      ?             ?      
1 1 1 15 4  71 o 2.087000       1.350000      ?             ?      
1 1 1 15 4  72 o 0.4224000E-01  1.345000      ?             ?      
1 1 1 15 4  73 o 1.857000       1.375000      ?             ?      
1 1 1 15 4  74 o -2.296000      1.561000      ?             ?      
1 1 1 15 5  0  o 2.812000       0.7533000     649.2348      90.0   
1 1 1 15 5  1  o 85.18000       2.032000      1512.339      -150.6 
1 1 1 15 5  2  o 55.01000       1.349000      1209.540      55.7   
1 1 1 15 5  3  o 49.84000       1.118000      1112.413      -93.3  
1 1 1 15 5  4  o 57.31000       1.118000      1121.088      4.3    
1 1 1 15 5  5  o 1.848000       0.3613000     217.8222      65.3   
1 1 1 15 5  6  o 36.58000       0.9105000     892.2979      139.9  
1 1 1 15 5  7  o 4.256000       0.3814000     459.5546      -161.1 
1 1 1 15 5  8  o 10.96000       0.4683000     382.8512      -69.2  
1 1 1 15 5  9  o 22.67000       0.8009000     900.3823      27.7   
1 1 1 15 5  10 o 18.23000       0.5948000     466.0873      -45.6  
1 1 1 15 5  11 o 97.15000       1.951000      1697.516      5.3    
1 1 1 15 5  12 o 47.52000       1.258000      985.0347      -104.7 
1 1 1 15 5  13 o 120.9000       3.274000      1631.775      -70.4  
1 1 1 15 5  14 o 35.42000       1.048000      836.6110      -124.6 
1 1 1 15 5  15 o 78.66000       2.035000      1190.691      -80.3  
1 1 1 15 5  16 o 34.02000       0.9660000     1231.442      -82.8  
1 1 1 15 5  17 o 1.651000       0.6012000     646.0009      -99.9  
1 1 1 15 5  18 o -0.5123000E-01 0.6424000     278.3125      81.2   
1 1 1 15 5  19 o 21.06000       0.8740000     671.3947      135.0  
1 1 1 15 5  20 o 100.8000       2.243000      1175.656      158.3  
1 1 1 15 5  21 o 232.0000       4.741000      2583.350      29.6   
1 1 1 15 5  22 o 63.35000       1.644000      1232.213      -148.8 
1 1 1 15 5  23 o 5.185000       0.9423000     135.5038      111.6  
1 1 1 15 5  24 o 70.64000       2.328000      1446.161      162.5  
1 1 1 15 5  25 o 76.74000       2.713000      1477.771      78.6   
1 1 1 15 5  26 o 67.77000       2.185000      1157.841      -117.5 
1 1 1 15 5  27 o 319.7000       6.550000      2464.778      77.6   
1 1 1 15 5  28 o 40.62000       1.683000      841.6597      -41.8  
1 1 1 15 5  29 o 11.84000       1.505000      629.7208      -162.7 
1 1 1 15 5  30 o 48.01000       2.132000      1108.378      147.6  
1 1 1 15 5  31 o 30.73000       1.634000      893.1757      118.6  
1 1 1 15 5  32 o 3.951000       1.500000      167.1555      159.9  
1 1 1 15 5  33 o 14.49000       1.264000      403.0878      -71.5  
1 1 1 15 5  34 o 38.44000       1.426000      852.5806      49.9   
1 1 1 15 5  35 o 19.66000       1.299000      666.6843      -40.9  
1 1 1 15 5  36 o 14.32000       1.240000      538.7042      -74.8  
1 1 1 15 5  37 o 40.13000       1.458000      895.0214      75.9   
1 1 1 15 5  38 o 39.88000       1.690000      1013.160      -128.6 
1 1 1 15 5  39 o 39.87000       1.701000      808.9046      94.9   
1 1 1 15 5  40 o 2.501000       1.035000      157.7414      -35.2  
1 1 1 15 5  41 o 10.16000       1.103000      403.0295      -147.3 
1 1 1 15 5  42 o 9.330000       1.122000      476.7447      -177.7 
1 1 1 15 5  43 o 7.080000       1.172000      339.7497      115.9  
1 1 1 15 5  44 o 4.468000       1.376000      326.3861      169.1  
1 1 1 15 5  45 o 3.009000       1.394000      242.5184      61.2   
1 1 1 15 5  46 o 3.431000       1.215000      157.5800      -18.9  
1 1 1 15 5  47 o 3.901000       1.172000      321.7043      -157.3 
1 1 1 15 5  48 o 4.016000       1.286000      400.4306      -135.7 
1 1 1 15 5  49 o 1.557000       1.576000      229.5565      177.3  
1 1 1 15 5  50 o 6.012000       1.499000      333.3106      -9.4   
1 1 1 15 5  51 o 5.037000       1.428000      263.8868      -15.6  
1 1 1 15 5  52 o 12.58000       1.357000      673.2274      -14.8  
1 1 1 15 5  53 f 6.860000       1.353000      500.1887      -165.3 
1 1 1 15 5  54 o 16.25000       1.574000      507.8664      -178.5 
1 1 1 15 5  55 o 10.49000       1.553000      503.3701      -117.1 
1 1 1 15 5  56 o 3.581000       1.530000      375.0159      55.2   
1 1 1 15 5  57 o 2.536000       1.505000      187.4502      72.2   
1 1 1 15 5  58 o 6.877000       1.426000      341.5110      167.6  
1 1 1 15 5  59 o -0.7059000     1.564000      ?             ?      
1 1 1 15 5  60 o 1.573000       1.763000      ?             ?      
1 1 1 15 5  61 o 16.23000       2.064000      ?             ?      
1 1 1 15 5  62 o 8.997000       1.684000      ?             ?      
1 1 1 15 5  63 o 0.8885000E-01  1.363000      ?             ?      
1 1 1 15 5  64 o 4.138000       1.470000      ?             ?      
1 1 1 15 5  65 o 2.081000       1.658000      ?             ?      
1 1 1 15 5  66 o -0.5959000     1.418000      ?             ?      
1 1 1 15 5  67 o -0.6233000     1.304000      ?             ?      
1 1 1 15 5  68 o -0.5682000     1.307000      ?             ?      
1 1 1 15 5  69 o 1.706000       1.327000      ?             ?      
1 1 1 15 5  70 o 2.816000       1.335000      ?             ?      
1 1 1 15 5  71 o 0.6111000      1.332000      ?             ?      
1 1 1 15 5  72 o 0.9254000E-01  1.429000      ?             ?      
1 1 1 15 5  73 o -0.3235000     1.467000      ?             ?      
1 1 1 15 5  74 o 0.2593000E-01  1.733000      ?             ?      
1 1 1 15 6  0  o 2.138000       0.5048000     123.1847      -90.0  
1 1 1 15 6  1  o 17.38000       0.5509000     691.5079      110.3  
1 1 1 15 6  2  o 40.92000       0.8457000     834.9622      -23.5  
1 1 1 15 6  3  o 36.51000       0.7918000     771.8303      171.0  
1 1 1 15 6  4  o 164.1000       2.870000      1869.412      -119.7 
1 1 1 15 6  5  o 44.57000       1.066000      706.8082      21.9   
1 1 1 15 6  6  o 16.40000       0.5873000     415.8212      70.5   
1 1 1 15 6  7  o 143.3000       2.618000      1605.523      178.4  
1 1 1 15 6  8  o 105.6000       2.174000      1706.428      134.9  
1 1 1 15 6  9  o 87.62000       1.754000      1490.884      68.8   
1 1 1 15 6  10 o 179.1000       3.425000      1563.971      45.9   
1 1 1 15 6  11 o 21.93000       0.6693000     734.5546      -41.5  
1 1 1 15 6  12 o 18.15000       0.6242000     397.3971      -73.8  
1 1 1 15 6  13 o 297.7000       5.924000      2321.097      -14.0  
1 1 1 15 6  14 o 555.1000       10.94000      3558.995      27.2   
1 1 1 15 6  15 o 72.33000       1.781000      1086.734      84.5   
1 1 1 15 6  16 o 51.19000       1.259000      1025.947      10.5   
1 1 1 15 6  17 o 3.761000       0.6317000     190.3359      -129.2 
1 1 1 15 6  18 o 87.31000       1.943000      1609.049      -1.1   
1 1 1 15 6  19 o 15.13000       0.8202000     12.20521      -40.9  
1 1 1 15 6  20 o 58.35000       1.489000      984.5959      86.6   
1 1 1 15 6  21 o 14.35000       0.9038000     586.9622      -72.6  
1 1 1 15 6  22 o 54.80000       1.510000      1224.126      -93.9  
1 1 1 15 6  23 o 31.76000       1.307000      934.5027      -67.5  
1 1 1 15 6  24 o 188.8000       5.120000      1849.960      -87.5  
1 1 1 15 6  25 o 8.257000       1.327000      712.4584      -176.1 
1 1 1 15 6  26 o 434.1000       10.06000      2969.881      155.6  
1 1 1 15 6  27 o 27.97000       1.578000      537.4005      19.0   
1 1 1 15 6  28 o 99.69000       3.253000      1779.074      -90.7  
1 1 1 15 6  29 o 75.48000       2.683000      1127.488      153.9  
1 1 1 15 6  30 o 51.20000       2.083000      1113.079      150.2  
1 1 1 15 6  31 o 7.758000       1.517000      453.8878      22.6   
1 1 1 15 6  32 o 18.24000       1.314000      866.9268      127.8  
1 1 1 15 6  33 o 4.581000       1.135000      169.8639      14.8   
1 1 1 15 6  34 o 9.888000       1.103000      494.6061      -25.4  
1 1 1 15 6  35 o 100.8000       2.436000      1772.789      -117.2 
1 1 1 15 6  36 o 13.28000       1.247000      456.1526      83.0   
1 1 1 15 6  37 o 43.58000       1.503000      982.5372      -44.7  
1 1 1 15 6  38 o 83.95000       2.134000      1640.715      -148.8 
1 1 1 15 6  39 o 29.03000       1.284000      652.7095      73.1   
1 1 1 15 6  40 o 4.819000       1.050000      209.5437      -155.7 
1 1 1 15 6  41 o 13.58000       1.124000      557.2309      -104.4 
1 1 1 15 6  42 o 60.57000       1.782000      1077.990      -147.2 
1 1 1 15 6  43 o 15.26000       1.327000      491.2519      -94.0  
1 1 1 15 6  44 o 16.32000       1.521000      603.7700      -129.1 
1 1 1 15 6  45 o 21.07000       1.455000      721.6294      -80.2  
1 1 1 15 6  46 o 4.787000       1.155000      399.6133      -75.8  
1 1 1 15 6  47 o 2.558000       1.156000      283.2694      -120.9 
1 1 1 15 6  48 o 9.689000       1.325000      384.8679      -18.8  
1 1 1 15 6  49 o 4.480000       1.671000      367.4922      99.1   
1 1 1 15 6  50 o 3.524000       1.714000      250.7470      56.0   
1 1 1 15 6  51 o 17.56000       1.518000      680.6961      21.1   
1 1 1 15 6  52 o 16.84000       1.397000      633.8920      -86.5  
1 1 1 15 6  53 o 10.72000       1.379000      456.1238      39.5   
1 1 1 15 6  54 o 20.63000       1.530000      697.1626      -8.0   
1 1 1 15 6  55 o 21.02000       1.554000      676.0266      -174.0 
1 1 1 15 6  56 o 9.158000       1.551000      463.5970      -85.8  
1 1 1 15 6  57 o 4.176000       1.514000      200.5044      12.5   
1 1 1 15 6  58 o 3.968000       1.419000      334.4437      83.9   
1 1 1 15 6  59 o 18.74000       1.724000      ?             ?      
1 1 1 15 6  60 o 12.43000       1.790000      ?             ?      
1 1 1 15 6  61 o 16.45000       1.723000      ?             ?      
1 1 1 15 6  62 o 4.158000       1.477000      ?             ?      
1 1 1 15 6  63 o 0.5633000E-02  1.340000      ?             ?      
1 1 1 15 6  64 o -0.1252000     1.524000      ?             ?      
1 1 1 15 6  65 o 1.561000       1.682000      ?             ?      
1 1 1 15 6  66 o 3.391000       1.746000      ?             ?      
1 1 1 15 6  67 o 0.3198000      1.429000      ?             ?      
1 1 1 15 6  68 o 3.372000       1.353000      ?             ?      
1 1 1 15 6  69 o 7.029000       1.362000      ?             ?      
1 1 1 15 6  70 o -1.621000      1.321000      ?             ?      
1 1 1 15 6  71 o 1.481000       1.348000      ?             ?      
1 1 1 15 6  72 o 2.490000       1.366000      ?             ?      
1 1 1 15 6  73 o -1.148000      1.464000      ?             ?      
1 1 1 15 6  74 o 1.389000       1.667000      ?             ?      
1 1 1 15 7  0  o 21.26000       0.9615000     576.6232      90.0   
1 1 1 15 7  1  o 44.45000       1.118000      983.3471      -121.0 
1 1 1 15 7  2  o 253.4000       5.082000      2107.644      9.4    
1 1 1 15 7  3  o 313.7000       5.791000      2410.120      -133.1 
1 1 1 15 7  4  o 15.65000       0.7973000     709.6213      -52.1  
1 1 1 15 7  5  o 70.89000       1.443000      1071.112      -67.1  
1 1 1 15 7  6  o 18.31000       0.6780000     843.8514      32.3   
1 1 1 15 7  7  o 16.56000       0.5320000     633.4511      -138.4 
1 1 1 15 7  8  o 39.44000       0.9293000     1384.809      -42.7  
1 1 1 15 7  9  o 22.45000       0.6750000     539.6121      175.4  
1 1 1 15 7  10 o 108.0000       2.142000      1617.822      75.5   
1 1 1 15 7  11 o 52.23000       1.151000      1081.038      24.0   
1 1 1 15 7  12 o 5.064000       0.4893000     458.2594      -66.4  
1 1 1 15 7  13 o 54.37000       1.275000      773.9899      86.6   
1 1 1 15 7  14 o 49.96000       1.471000      1038.007      -82.6  
1 1 1 15 7  15 o 127.5000       3.400000      1643.507      -123.4 
1 1 1 15 7  16 o 138.6000       2.881000      1381.452      108.0  
1 1 1 15 7  17 o 6.480000       0.6651000     557.8388      132.1  
1 1 1 15 7  18 o 20.35000       0.8471000     791.0841      -55.0  
1 1 1 15 7  19 o 342.5000       6.850000      2375.836      96.0   
1 1 1 15 7  20 o 79.52000       1.868000      1561.080      48.5   
1 1 1 15 7  21 o 20.79000       0.9882000     588.5223      -127.4 
1 1 1 15 7  22 o 212.1000       4.393000      2216.647      -3.4   
1 1 1 15 7  23 o 145.0000       3.593000      1679.701      10.2   
1 1 1 15 7  24 o 60.94000       2.829000      627.2900      155.3  
1 1 1 15 7  25 o 103.2000       3.184000      1373.578      -13.4  
1 1 1 15 7  26 o 37.67000       1.485000      1181.374      -36.2  
1 1 1 15 7  27 o 282.1000       6.266000      2507.187      32.2   
1 1 1 15 7  28 o 59.33000       2.124000      933.8921      -90.1  
1 1 1 15 7  29 o 19.53000       1.397000      467.1830      -137.2 
1 1 1 15 7  30 o 35.97000       1.637000      877.4655      133.6  
1 1 1 15 7  31 o 39.81000       1.842000      877.3183      154.0  
1 1 1 15 7  32 o 46.32000       1.817000      891.8135      -40.5  
1 1 1 15 7  33 o 42.71000       1.855000      851.6944      44.2   
1 1 1 15 7  34 o 37.17000       1.518000      1123.940      -53.3  
1 1 1 15 7  35 o 37.21000       1.391000      985.1346      -57.5  
1 1 1 15 7  36 o 36.46000       1.390000      909.0444      -9.2   
1 1 1 15 7  37 o 66.78000       1.840000      1228.847      60.6   
1 1 1 15 7  38 o 13.45000       1.122000      594.2360      17.4   
1 1 1 15 7  39 o 54.34000       1.643000      1161.046      2.8    
1 1 1 15 7  40 o 124.5000       2.855000      1350.313      178.3  
1 1 1 15 7  41 o 14.93000       1.137000      332.4572      -23.5  
1 1 1 15 7  42 o 16.92000       1.243000      513.3120      -107.5 
1 1 1 15 7  43 o 17.28000       1.460000      543.2933      127.4  
1 1 1 15 7  44 o 11.58000       1.446000      599.8692      -125.1 
1 1 1 15 7  45 o 18.10000       1.344000      559.0453      22.7   
1 1 1 15 7  46 o 28.59000       1.396000      693.1151      165.3  
1 1 1 15 7  47 o 4.086000       1.177000      282.8236      108.9  
1 1 1 15 7  48 o 18.55000       1.439000      640.9049      0.2    
1 1 1 15 7  49 o 33.91000       1.784000      786.6809      114.4  
1 1 1 15 7  50 o 11.29000       1.676000      424.0594      -101.8 
1 1 1 15 7  51 o 45.76000       1.922000      915.6577      23.7   
1 1 1 15 7  52 o 4.302000       1.335000      269.9994      134.1  
1 1 1 15 7  53 o 13.51000       1.418000      511.5951      152.0  
1 1 1 15 7  54 o 24.49000       1.565000      734.7513      -167.6 
1 1 1 15 7  55 o -0.2817000     1.398000      160.2455      45.3   
1 1 1 15 7  56 o 1.248000       1.409000      126.1108      4.5    
1 1 1 15 7  57 o 1.909000       1.388000      199.9275      25.5   
1 1 1 15 7  58 o 4.769000       1.511000      453.1463      167.9  
1 1 1 15 7  59 o 7.285000       1.745000      ?             ?      
1 1 1 15 7  60 o 16.79000       1.909000      ?             ?      
1 1 1 15 7  61 o 15.11000       1.688000      ?             ?      
1 1 1 15 7  62 o 1.989000       1.462000      ?             ?      
1 1 1 15 7  63 o 4.653000       1.357000      ?             ?      
1 1 1 15 7  64 o 0.9422000      1.623000      ?             ?      
1 1 1 15 7  65 o 2.267000       1.574000      ?             ?      
1 1 1 15 7  66 o 3.783000       2.119000      ?             ?      
1 1 1 15 7  67 o 5.595000       1.541000      ?             ?      
1 1 1 15 7  68 o 2.340000       1.331000      ?             ?      
1 1 1 15 7  69 o -0.6704000     1.322000      ?             ?      
1 1 1 15 7  70 o -0.2867000     1.327000      ?             ?      
1 1 1 15 7  71 o 0.4633000      1.346000      ?             ?      
1 1 1 15 7  72 o 6.232000       1.502000      ?             ?      
1 1 1 15 7  73 o 3.020000       1.583000      ?             ?      
1 1 1 15 7  74 o -0.6437000     2.214000      ?             ?      
1 1 1 15 8  0  o 8.506000       0.7103000     743.0343      90.0   
1 1 1 15 8  1  o 20.87000       0.5683000     373.0242      86.2   
1 1 1 15 8  2  o 64.24000       1.420000      1035.555      -43.5  
1 1 1 15 8  3  o 244.3000       4.190000      2011.695      132.8  
1 1 1 15 8  4  o 250.8000       4.322000      1899.144      -42.4  
1 1 1 15 8  5  o 145.1000       2.566000      1698.759      34.3   
1 1 1 15 8  6  o 77.77000       1.462000      1481.064      21.9   
1 1 1 15 8  7  o 31.46000       0.7577000     402.3347      22.0   
1 1 1 15 8  8  o 22.06000       0.6506000     529.0038      -36.8  
1 1 1 15 8  9  o 64.78000       1.532000      1007.141      -41.1  
1 1 1 15 8  10 o 1.509000       0.4606000     341.3607      -155.4 
1 1 1 15 8  11 o 45.31000       1.047000      1015.620      151.4  
1 1 1 15 8  12 o 46.82000       1.093000      1175.613      -12.3  
1 1 1 15 8  13 o 447.5000       8.842000      2937.938      -19.9  
1 1 1 15 8  14 o 117.3000       2.348000      1586.843      -29.2  
1 1 1 15 8  15 o 155.7000       3.502000      1588.593      -41.0  
1 1 1 15 8  16 o 36.36000       1.048000      840.0625      -50.9  
1 1 1 15 8  17 o 261.2000       5.253000      2205.704      -96.5  
1 1 1 15 8  18 o 30.47000       1.005000      1062.197      -88.6  
1 1 1 15 8  19 o 49.78000       1.478000      907.7602      -141.7 
1 1 1 15 8  20 o 1105.000       21.73000      4524.098      125.2  
1 1 1 15 8  21 o 62.37000       1.620000      1022.082      151.7  
1 1 1 15 8  22 o 280.2000       7.424000      1935.905      -96.9  
1 1 1 15 8  23 o 215.3000       5.788000      2292.607      157.6  
1 1 1 15 8  24 o 28.46000       1.612000      912.3264      153.9  
1 1 1 15 8  25 o 170.9000       4.745000      1798.590      101.9  
1 1 1 15 8  26 o 428.1000       9.288000      3007.547      160.1  
1 1 1 15 8  27 f 62.66000       1.849000      921.9499      -150.0 
1 1 1 15 8  28 o 48.92000       1.764000      836.7951      -158.6 
1 1 1 15 8  29 o 241.5000       5.424000      2266.896      -169.7 
1 1 1 15 8  30 o 59.50000       1.994000      1129.672      85.1   
1 1 1 15 8  31 o 17.07000       1.598000      649.9312      21.3   
1 1 1 15 8  32 o 25.79000       1.523000      616.0714      66.8   
1 1 1 15 8  33 o 39.00000       1.537000      952.7294      -78.6  
1 1 1 15 8  34 o 40.01000       1.560000      1158.308      -106.8 
1 1 1 15 8  35 o 57.12000       1.674000      1313.991      15.3   
1 1 1 15 8  36 o 50.96000       1.578000      1131.185      107.9  
1 1 1 15 8  37 o 8.484000       1.079000      367.9509      -157.2 
1 1 1 15 8  38 o 71.99000       1.922000      1378.661      149.2  
1 1 1 15 8  39 o 3.809000       1.034000      329.4290      126.4  
1 1 1 15 8  40 o 21.89000       1.208000      627.8256      -158.9 
1 1 1 15 8  41 o 20.15000       1.193000      407.3130      -47.5  
1 1 1 15 8  42 f 28.63000       1.445000      880.0848      -152.9 
1 1 1 15 8  43 o 86.11000       3.002000      1272.674      -89.1  
1 1 1 15 8  44 o 58.58000       2.028000      1137.252      -79.3  
1 1 1 15 8  45 o 18.21000       1.255000      724.5821      -108.6 
1 1 1 15 8  46 o 31.72000       1.434000      797.3213      -179.4 
1 1 1 15 8  47 o 13.35000       1.244000      461.6790      156.9  
1 1 1 15 8  48 o 13.66000       1.292000      511.2155      12.4   
1 1 1 15 8  49 o 16.69000       1.464000      603.0900      83.5   
1 1 1 15 8  50 o 9.807000       1.692000      550.3012      -131.1 
1 1 1 15 8  51 o 14.15000       1.657000      513.7086      -12.6  
1 1 1 15 8  52 o 15.59000       1.535000      529.6453      51.2   
1 1 1 15 8  53 o 12.02000       1.417000      384.0333      -73.9  
1 1 1 15 8  54 o 21.97000       1.543000      654.5272      -39.3  
1 1 1 15 8  55 o 6.086000       1.421000      335.2516      -43.3  
1 1 1 15 8  56 o 13.88000       1.487000      532.0770      -4.3   
1 1 1 15 8  57 o 8.001000       1.427000      538.7487      25.5   
1 1 1 15 8  58 o 22.29000       1.648000      ?             ?      
1 1 1 15 8  59 o 9.080000       1.788000      ?             ?      
1 1 1 15 8  60 o 12.58000       1.634000      ?             ?      
1 1 1 15 8  61 o 2.300000       1.429000      ?             ?      
1 1 1 15 8  62 o 5.430000       1.464000      ?             ?      
1 1 1 15 8  63 o 9.393000       1.498000      ?             ?      
1 1 1 15 8  64 o 0.8642000      1.420000      ?             ?      
1 1 1 15 8  65 o 1.889000       1.441000      ?             ?      
1 1 1 15 8  66 o -0.6686000     1.704000      ?             ?      
1 1 1 15 8  67 o 6.682000       1.757000      ?             ?      
1 1 1 15 8  68 o 3.809000       1.549000      ?             ?      
1 1 1 15 8  69 o 1.016000       1.422000      ?             ?      
1 1 1 15 8  70 o 2.311000       1.356000      ?             ?      
1 1 1 15 8  71 o 3.594000       1.376000      ?             ?      
1 1 1 15 8  72 o 2.357000       1.468000      ?             ?      
1 1 1 15 8  73 o 6.679000       1.705000      ?             ?      
1 1 1 15 9  0  o 20.16000       0.9599000     6.420912      -90.0  
1 1 1 15 9  1  o 398.8000       6.462000      2844.361      -123.8 
1 1 1 15 9  2  o 14.04000       0.5526000     485.2159      -21.8  
1 1 1 15 9  3  o 9.247000       0.7208000     482.2411      -107.7 
1 1 1 15 9  4  o 53.98000       1.242000      941.0363      -44.8  
1 1 1 15 9  5  o 103.4000       1.998000      1386.830      61.7   
1 1 1 15 9  6  o 209.1000       3.628000      1912.660      28.2   
1 1 1 15 9  7  o 19.63000       0.7477000     266.7346      176.0  
1 1 1 15 9  8  o 13.71000       0.5674000     824.2543      -63.1  
1 1 1 15 9  9  o 34.69000       0.8380000     614.9554      110.3  
1 1 1 15 9  10 o 275.8000       5.226000      2064.994      -8.4   
1 1 1 15 9  11 o 165.8000       3.207000      1512.474      95.4   
1 1 1 15 9  12 o 128.9000       2.536000      1368.395      56.9   
1 1 1 15 9  13 o 129.3000       2.559000      1539.930      -6.5   
1 1 1 15 9  14 o 202.5000       3.899000      1705.528      -19.4  
1 1 1 15 9  15 o 72.34000       1.583000      682.6331      149.1  
1 1 1 15 9  16 o 194.5000       3.961000      1979.901      64.0   
1 1 1 15 9  17 o 300.4000       6.023000      2130.932      -64.5  
1 1 1 15 9  18 o 172.1000       3.561000      1722.542      -35.7  
1 1 1 15 9  19 o 742.8000       15.83000      3638.321      167.1  
1 1 1 15 9  20 o 105.8000       2.610000      1240.574      -15.1  
1 1 1 15 9  21 o 111.0000       2.494000      1786.411      -133.5 
1 1 1 15 9  22 o 788.5000       20.18000      3505.526      -16.5  
1 1 1 15 9  23 o 217.7000       7.878000      1869.728      -132.3 
1 1 1 15 9  24 o 153.2000       3.832000      1730.082      -69.9  
1 1 1 15 9  25 o 219.1000       4.953000      2083.865      -45.4  
1 1 1 15 9  26 o 53.53000       1.795000      1024.607      -78.9  
1 1 1 15 9  27 o 66.00000       1.874000      932.6912      -39.5  
1 1 1 15 9  28 o 240.0000       5.412000      1809.428      -61.6  
1 1 1 15 9  29 o 14.96000       1.226000      480.0484      34.6   
1 1 1 15 9  30 o 6.339000       1.162000      259.6412      -109.9 
1 1 1 15 9  31 o 17.67000       1.361000      352.3102      175.3  
1 1 1 15 9  32 f 96.98000       2.906000      1517.953      -70.8  
1 1 1 15 9  33 o 38.58000       1.667000      871.9057      -110.8 
1 1 1 15 9  34 o 137.4000       3.309000      1591.216      -29.8  
1 1 1 15 9  35 o 5.340000       1.042000      637.8102      -13.5  
1 1 1 15 9  36 o 23.33000       1.206000      691.6226      115.8  
1 1 1 15 9  37 o 23.61000       1.210000      551.6871      20.7   
1 1 1 15 9  38 o 63.95000       1.787000      1109.157      -58.4  
1 1 1 15 9  39 o 90.19000       2.242000      1303.008      -155.4 
1 1 1 15 9  40 o 23.95000       1.221000      820.5617      -173.7 
1 1 1 15 9  41 o 117.6000       2.932000      1582.751      -6.8   
1 1 1 15 9  42 o 13.37000       1.258000      530.8949      57.9   
1 1 1 15 9  43 o 3.007000       1.219000      270.7777      26.0   
1 1 1 15 9  44 o 89.85000       2.461000      1534.748      -77.6  
1 1 1 15 9  45 o 29.27000       1.473000      643.1157      69.2   
1 1 1 15 9  46 o 57.49000       1.793000      1058.302      -139.0 
1 1 1 15 9  47 o 20.81000       1.313000      580.4503      20.1   
1 1 1 15 9  48 o 3.973000       1.205000      554.4423      -163.1 
1 1 1 15 9  49 o 22.69000       1.501000      603.3154      78.2   
1 1 1 15 9  50 o 10.94000       1.520000      505.2054      -99.1  
1 1 1 15 9  51 o 20.21000       1.865000      609.1040      41.0   
1 1 1 15 9  52 o 9.140000       1.613000      435.1766      159.1  
1 1 1 15 9  53 o 26.45000       1.579000      747.9922      67.4   
1 1 1 15 9  54 o 14.73000       1.478000      556.6354      136.8  
1 1 1 15 9  55 o 41.41000       1.794000      991.0724      35.3   
1 1 1 15 9  56 o 5.679000       1.420000      308.9560      -15.3  
1 1 1 15 9  57 o -0.5342000     1.380000      119.9173      -126.3 
1 1 1 15 9  58 o 5.253000       1.587000      ?             ?      
1 1 1 15 9  59 o 21.42000       1.895000      ?             ?      
1 1 1 15 9  60 o 5.583000       1.462000      ?             ?      
1 1 1 15 9  61 o 2.710000       1.348000      ?             ?      
1 1 1 15 9  62 o 4.421000       1.349000      ?             ?      
1 1 1 15 9  63 o 0.8233000      1.414000      ?             ?      
1 1 1 15 9  64 o -1.150000      1.414000      ?             ?      
1 1 1 15 9  65 o 0.5530000      1.604000      ?             ?      
1 1 1 15 9  66 o -0.3787000     1.713000      ?             ?      
1 1 1 15 9  67 o 3.286000       1.672000      ?             ?      
1 1 1 15 9  68 o 6.551000       1.696000      ?             ?      
1 1 1 15 9  69 o 7.470000       1.486000      ?             ?      
1 1 1 15 9  70 o 3.717000       1.462000      ?             ?      
1 1 1 15 9  71 o 1.895000       1.454000      ?             ?      
1 1 1 15 9  72 o -1.793000      2.198000      ?             ?      
1 1 1 15 9  73 o 1.136000       1.736000      ?             ?      
1 1 1 15 10 0  o 184.2000       5.229000      1707.006      90.0   
1 1 1 15 10 1  o 40.89000       0.8707000     800.8303      81.6   
1 1 1 15 10 2  o 57.91000       1.123000      1188.425      -5.2   
1 1 1 15 10 3  o 14.97000       0.5176000     883.8289      96.9   
1 1 1 15 10 4  o 16.08000       0.5544000     546.1931      14.8   
1 1 1 15 10 5  o 499.2000       8.510000      2869.515      87.0   
1 1 1 15 10 6  o 94.55000       1.923000      1521.482      -62.6  
1 1 1 15 10 7  o 19.80000       0.6578000     604.0325      37.7   
1 1 1 15 10 8  o 162.9000       3.194000      1472.978      -31.7  
1 1 1 15 10 9  o 56.33000       1.403000      949.2699      65.8   
1 1 1 15 10 10 o 116.7000       2.311000      1641.752      -149.4 
1 1 1 15 10 11 o 17.04000       0.7131000     549.6564      -119.5 
1 1 1 15 10 12 o 34.77000       0.9147000     983.6514      125.7  
1 1 1 15 10 13 o 65.83000       1.443000      968.8795      -65.3  
1 1 1 15 10 14 o 32.40000       1.059000      1249.769      -79.1  
1 1 1 15 10 15 o 44.15000       1.108000      1124.081      127.8  
1 1 1 15 10 16 o 37.44000       1.222000      1177.391      -115.6 
1 1 1 15 10 17 o 11.68000       0.8946000     485.7201      18.3   
1 1 1 15 10 18 o 203.3000       4.521000      1921.906      -156.7 
1 1 1 15 10 19 o 252.7000       5.139000      1797.662      104.4  
1 1 1 15 10 20 o 341.4000       7.405000      1996.370      162.3  
1 1 1 15 10 21 o 10.37000       1.147000      453.1677      -105.2 
1 1 1 15 10 22 o 704.8000       16.10000      3732.202      -133.7 
1 1 1 15 10 23 o 584.9000       20.03000      3658.243      130.8  
1 1 1 15 10 24 o 200.3000       4.864000      1357.690      16.2   
1 1 1 15 10 25 o 81.99000       2.110000      1110.962      115.7  
1 1 1 15 10 26 o 9.036000       1.225000      526.5634      -138.3 
1 1 1 15 10 27 o 71.19000       2.076000      1092.219      79.0   
1 1 1 15 10 28 o 12.40000       1.095000      681.0077      48.3   
1 1 1 15 10 29 o 7.241000       1.045000      419.0712      -85.7  
1 1 1 15 10 30 o 98.12000       2.553000      1337.933      74.8   
1 1 1 15 10 31 o 172.9000       4.309000      1608.022      -48.9  
1 1 1 15 10 32 o 67.92000       2.314000      1383.485      -110.7 
1 1 1 15 10 33 o 44.43000       1.759000      904.2352      -84.2  
1 1 1 15 10 34 o 34.39000       1.471000      971.8044      -12.9  
1 1 1 15 10 35 o 34.35000       1.352000      590.4449      172.4  
1 1 1 15 10 36 o 38.84000       1.399000      820.8096      117.9  
1 1 1 15 10 37 o 30.27000       1.286000      768.4629      80.1   
1 1 1 15 10 38 o 27.71000       1.252000      584.7159      -32.0  
1 1 1 15 10 39 o 16.99000       1.147000      420.4849      55.4   
1 1 1 15 10 40 o 22.75000       1.193000      632.6608      105.1  
1 1 1 15 10 41 o 47.83000       1.744000      1057.721      4.6    
1 1 1 15 10 42 o 8.796000       1.912000      316.9948      -38.4  
1 1 1 15 10 43 o 15.44000       1.309000      532.3503      127.4  
1 1 1 15 10 44 o 11.19000       1.145000      370.7744      -119.0 
1 1 1 15 10 45 o 89.22000       2.290000      1315.348      -47.8  
1 1 1 15 10 46 o 7.271000       1.163000      326.6497      128.5  
1 1 1 15 10 47 o 4.959000       1.174000      285.5905      173.0  
1 1 1 15 10 48 o 4.319000       1.189000      400.6828      -124.8 
1 1 1 15 10 49 o 22.06000       1.395000      758.4902      -95.9  
1 1 1 15 10 50 o 3.098000       1.367000      274.0351      155.7  
1 1 1 15 10 51 o 56.14000       2.420000      1040.958      69.3   
1 1 1 15 10 52 o 30.54000       1.901000      763.0549      137.6  
1 1 1 15 10 53 o 29.29000       1.750000      811.2557      -115.9 
1 1 1 15 10 54 o 7.318000       1.425000      413.3607      -3.3   
1 1 1 15 10 55 o 3.903000       1.396000      261.7327      -74.7  
1 1 1 15 10 56 o 9.660000       1.429000      433.4998      65.8   
1 1 1 15 10 57 o 0.8849000      1.447000      114.6890      -27.2  
1 1 1 15 10 58 o 6.863000       1.738000      ?             ?      
1 1 1 15 10 59 o 2.651000       1.537000      ?             ?      
1 1 1 15 10 60 o 30.18000       1.619000      ?             ?      
1 1 1 15 10 61 o 0.4684000      1.332000      ?             ?      
1 1 1 15 10 62 o 6.212000       1.361000      ?             ?      
1 1 1 15 10 63 o 8.330000       1.376000      ?             ?      
1 1 1 15 10 64 o 13.39000       1.423000      ?             ?      
1 1 1 15 10 65 o 5.901000       1.445000      ?             ?      
1 1 1 15 10 66 o 7.994000       1.586000      ?             ?      
1 1 1 15 10 67 o -2.552000      1.673000      ?             ?      
1 1 1 15 10 68 o 0.4709000      1.707000      ?             ?      
1 1 1 15 10 69 o 1.936000       1.351000      ?             ?      
1 1 1 15 10 70 o 2.852000       1.464000      ?             ?      
1 1 1 15 10 71 o 1.108000       1.549000      ?             ?      
1 1 1 15 10 72 o 3.284000       1.730000      ?             ?      
1 1 1 15 10 73 o 1.222000       1.751000      ?             ?      
1 1 1 15 11 0  o 5.176000       0.5794000     231.1367      90.0   
1 1 1 15 11 1  o 168.0000       2.929000      1717.052      -147.0 
1 1 1 15 11 2  o 62.28000       1.518000      1478.475      -153.9 
1 1 1 15 11 3  o 17.74000       0.5606000     815.6789      64.7   
1 1 1 15 11 4  o 23.78000       0.9444000     733.1300      -86.9  
1 1 1 15 11 5  o 73.65000       1.417000      652.7023      -49.3  
1 1 1 15 11 6  o 35.03000       1.036000      902.0695      139.9  
1 1 1 15 11 7  o 98.63000       2.395000      1965.767      50.6   
1 1 1 15 11 8  o 89.25000       2.506000      1469.151      -102.6 
1 1 1 15 11 9  o 180.8000       3.484000      1813.387      -18.3  
1 1 1 15 11 10 o 0.6100000      0.5076000     147.1996      64.8   
1 1 1 15 11 11 o 64.19000       1.407000      1355.052      -61.9  
1 1 1 15 11 12 f 181.3000       3.974000      1623.255      -59.1  
1 1 1 15 11 13 o 163.8000       3.200000      1680.069      -95.9  
1 1 1 15 11 14 o 4.531000       0.7222000     447.1463      97.9   
1 1 1 15 11 15 o 15.45000       0.8547000     381.3569      -87.0  
1 1 1 15 11 16 o 221.2000       4.489000      1863.838      -39.9  
1 1 1 15 11 17 o 264.6000       5.766000      2066.056      -88.7  
1 1 1 15 11 18 o 318.4000       6.886000      2507.039      -149.8 
1 1 1 15 11 19 o 63.54000       1.609000      1394.283      -68.5  
1 1 1 15 11 20 o 14.15000       1.017000      368.0194      60.6   
1 1 1 15 11 21 o 781.1000       19.92000      3787.449      -99.7  
1 1 1 15 11 22 o 90.83000       4.260000      1342.354      -84.1  
1 1 1 15 11 23 o 60.46000       2.188000      956.8168      -101.3 
1 1 1 15 11 24 o 153.5000       3.656000      1957.620      -156.0 
1 1 1 15 11 25 o 64.50000       1.810000      1018.657      158.7  
1 1 1 15 11 26 o 16.47000       1.180000      773.5258      -155.1 
1 1 1 15 11 27 o 4.403000       1.025000      235.2988      -128.7 
1 1 1 15 11 28 o 193.6000       4.087000      1918.564      -98.5  
1 1 1 15 11 29 o 66.56000       1.794000      675.6220      151.4  
1 1 1 15 11 30 f 130.0000       3.157000      1438.797      6.7    
1 1 1 15 11 31 o 112.8000       3.032000      1841.058      -106.5 
1 1 1 15 11 32 o 30.34000       1.400000      835.6568      -59.4  
1 1 1 15 11 33 o 204.0000       5.304000      2299.082      5.3    
1 1 1 15 11 34 o 47.93000       2.071000      1221.914      0.4    
1 1 1 15 11 35 o 189.9000       4.390000      1981.611      -169.0 
1 1 1 15 11 36 o 19.98000       1.167000      523.3667      -36.4  
1 1 1 15 11 37 o 52.50000       1.599000      1179.635      93.5   
1 1 1 15 11 38 o 118.9000       2.750000      1669.645      174.0  
1 1 1 15 11 39 o 3.601000       1.028000      128.8219      -85.0  
1 1 1 15 11 40 o 7.115000       1.057000      490.6015      -91.8  
1 1 1 15 11 41 o 8.087000       1.182000      256.0987      112.3  
1 1 1 15 11 42 o 6.672000       1.285000      693.0728      122.0  
1 1 1 15 11 43 o 6.684000       1.163000      437.1123      -72.0  
1 1 1 15 11 44 o 13.73000       1.166000      584.1353      20.3   
1 1 1 15 11 45 o 19.96000       1.247000      719.7931      -12.8  
1 1 1 15 11 46 o 3.723000       1.141000      236.6104      -113.1 
1 1 1 15 11 47 o 13.14000       1.223000      614.7661      -7.8   
1 1 1 15 11 48 o 10.53000       1.235000      276.2883      -135.6 
1 1 1 15 11 49 o 15.70000       1.316000      620.6412      -21.1  
1 1 1 15 11 50 o 48.76000       1.912000      995.6053      -135.5 
1 1 1 15 11 51 o 19.80000       1.677000      657.8738      171.8  
1 1 1 15 11 52 o 3.945000       1.769000      301.7936      -101.7 
1 1 1 15 11 53 o 73.37000       2.425000      ?             ?      
1 1 1 15 11 54 o 23.01000       1.575000      647.2852      57.4   
1 1 1 15 11 55 o 32.31000       1.671000      760.1157      5.3    
1 1 1 15 11 56 o 5.579000       1.404000      329.8597      57.1   
1 1 1 15 11 57 o 8.047000       1.598000      395.1758      135.6  
1 1 1 15 11 58 o 21.28000       1.904000      ?             ?      
1 1 1 15 11 59 o 8.143000       1.461000      ?             ?      
1 1 1 15 11 60 o 14.78000       1.437000      ?             ?      
1 1 1 15 11 61 o 5.122000       1.376000      ?             ?      
1 1 1 15 11 62 o 20.63000       1.514000      ?             ?      
1 1 1 15 11 63 o 1.195000       1.335000      ?             ?      
1 1 1 15 11 64 o -0.4551000     1.307000      ?             ?      
1 1 1 15 11 65 o 2.503000       1.318000      ?             ?      
1 1 1 15 11 66 o -0.3006000     1.414000      ?             ?      
1 1 1 15 11 68 o 1.158000       2.168000      ?             ?      
1 1 1 15 11 69 o 4.676000       1.486000      ?             ?      
1 1 1 15 11 70 o 0.9853000      1.437000      ?             ?      
1 1 1 15 11 71 o 2.470000       1.551000      ?             ?      
1 1 1 15 11 72 o 3.025000       1.733000      ?             ?      
1 1 1 15 12 0  o -0.6380000     0.5568000     159.4464      -90.0  
1 1 1 15 12 1  o 8.592000       0.4801000     295.1492      -123.8 
1 1 1 15 12 2  o 23.07000       0.6799000     276.5615      -89.9  
1 1 1 15 12 3  o 59.32000       1.304000      610.7775      64.3   
1 1 1 15 12 4  o 556.1000       9.396000      2958.081      118.4  
1 1 1 15 12 5  o 136.7000       2.608000      1881.573      18.4   
1 1 1 15 12 6  o 81.41000       1.646000      1437.362      -53.0  
1 1 1 15 12 7  o 129.3000       2.913000      2019.120      49.0   
1 1 1 15 12 8  o 148.9000       3.029000      1089.339      35.8   
1 1 1 15 12 9  o 60.70000       1.343000      960.0577      -57.0  
1 1 1 15 12 10 o 168.3000       3.556000      1535.776      -133.4 
1 1 1 15 12 11 o 60.31000       1.656000      1304.540      15.2   
1 1 1 15 12 12 o 189.3000       4.154000      2011.830      34.2   
1 1 1 15 12 13 o 86.32000       1.908000      1078.168      -132.3 
1 1 1 15 12 14 o 19.48000       0.8922000     465.7980      96.7   
1 1 1 15 12 15 o 112.4000       2.625000      1392.539      -72.1  
1 1 1 15 12 16 o 142.5000       3.483000      1684.053      -4.5   
1 1 1 15 12 17 o 576.3000       11.42000      3278.172      71.4   
1 1 1 15 12 18 o 311.5000       6.781000      2481.730      -158.3 
1 1 1 15 12 19 o 19.48000       0.9788000     431.1876      -169.4 
1 1 1 15 12 20 o 5.246000       0.9829000     410.4875      78.0   
1 1 1 15 12 21 o 39.96000       1.757000      909.2222      -110.3 
1 1 1 15 12 22 o 40.68000       1.685000      1526.089      -169.7 
1 1 1 15 12 23 o 116.4000       3.362000      1304.229      122.7  
1 1 1 15 12 24 o 196.6000       4.161000      2063.812      -7.8   
1 1 1 15 12 25 o 191.8000       4.078000      2214.884      -78.4  
1 1 1 15 12 26 o 96.54000       2.325000      1708.932      -62.2  
1 1 1 15 12 27 o 30.39000       1.251000      374.8080      -70.3  
1 1 1 15 12 28 o 104.9000       2.458000      1170.896      -144.1 
1 1 1 15 12 29 o 5.097000       1.015000      486.8001      64.4   
1 1 1 15 12 30 o 38.81000       1.392000      767.3137      -125.3 
1 1 1 15 12 31 o 95.32000       2.494000      1512.349      -167.0 
1 1 1 15 12 32 o 62.10000       2.026000      798.8336      18.0   
1 1 1 15 12 33 o 66.73000       2.293000      911.9485      67.9   
1 1 1 15 12 34 o 19.13000       1.308000      725.2680      -88.3  
1 1 1 15 12 35 o 8.955000       1.158000      446.1837      -123.3 
1 1 1 15 12 36 o -0.2799000     1.014000      369.7789      -50.2  
1 1 1 15 12 37 o 25.86000       1.235000      757.9880      169.6  
1 1 1 15 12 38 o 13.31000       1.124000      585.3139      -54.7  
1 1 1 15 12 39 o 4.637000       1.027000      223.8663      -87.0  
1 1 1 15 12 40 o 41.09000       1.614000      960.9982      61.8   
1 1 1 15 12 41 o 33.70000       1.748000      778.4721      -60.6  
1 1 1 15 12 42 o 13.31000       1.274000      539.9876      166.0  
1 1 1 15 12 43 o 43.71000       1.533000      940.9365      137.4  
1 1 1 15 12 44 o 25.77000       1.295000      653.3875      -21.4  
1 1 1 15 12 45 o 9.578000       1.160000      388.5662      49.2   
1 1 1 15 12 46 o 49.47000       1.669000      876.1241      112.1  
1 1 1 15 12 47 o 15.73000       1.248000      685.9206      -134.2 
1 1 1 15 12 48 o 13.90000       1.254000      632.3835      17.4   
1 1 1 15 12 49 o 36.94000       1.553000      867.0724      -107.6 
1 1 1 15 12 50 o 8.831000       1.411000      555.4421      16.4   
1 1 1 15 12 51 o 11.43000       1.566000      649.3680      69.3   
1 1 1 15 12 52 o 23.22000       1.952000      854.3028      158.2  
1 1 1 15 12 53 o 16.19000       1.750000      483.5206      -158.4 
1 1 1 15 12 54 o 29.46000       1.772000      909.3329      110.5  
1 1 1 15 12 55 o 19.93000       1.532000      788.9955      161.0  
1 1 1 15 12 56 o 1.063000       1.459000      60.23502      139.7  
1 1 1 15 12 57 o 20.95000       1.912000      731.8464      -172.3 
1 1 1 15 12 58 o 4.200000       1.554000      ?             ?      
1 1 1 15 12 59 o 3.038000       1.347000      ?             ?      
1 1 1 15 12 60 o 5.338000       1.365000      ?             ?      
1 1 1 15 12 62 o 4.731000       1.348000      ?             ?      
1 1 1 15 12 63 o 12.24000       1.419000      ?             ?      
1 1 1 15 12 64 o 8.969000       1.367000      ?             ?      
1 1 1 15 12 65 o 8.268000       1.361000      ?             ?      
1 1 1 15 12 66 o 4.103000       1.464000      ?             ?      
1 1 1 15 12 67 o 7.874000       1.610000      ?             ?      
1 1 1 15 12 68 o -1.786000      1.643000      ?             ?      
1 1 1 15 12 69 o 0.4217000      1.555000      ?             ?      
1 1 1 15 12 70 o 1.258000       1.646000      ?             ?      
1 1 1 15 12 71 o 1.861000       1.860000      ?             ?      
1 1 1 15 12 72 o 0.8555000      1.714000      ?             ?      
1 1 1 15 12 73 o 0.1807000      1.499000      ?             ?      
1 1 1 15 13 0  o 251.8000       6.382000      2338.034      -90.0  
1 1 1 15 13 1  o 27.03000       0.7019000     789.0153      -176.8 
1 1 1 15 13 2  o 63.95000       1.577000      1292.674      143.3  
1 1 1 15 13 3  o 15.48000       0.5903000     587.6234      -47.5  
1 1 1 15 13 4  o 14.34000       0.6051000     595.5076      -129.8 
1 1 1 15 13 5  o 26.84000       0.9332000     924.7130      -164.5 
1 1 1 15 13 6  o 190.7000       4.282000      2243.640      145.5  
1 1 1 15 13 7  o 75.31000       1.789000      1218.157      -81.7  
1 1 1 15 13 8  o 7.023000       0.6474000     163.1100      166.4  
1 1 1 15 13 9  o 58.43000       1.618000      1210.750      16.8   
1 1 1 15 13 10 o 1.679000       0.6460000     528.9383      121.7  
1 1 1 15 13 11 o 0.5633000      0.6010000     165.5893      96.4   
1 1 1 15 13 12 o 36.12000       1.122000      925.0515      -150.1 
1 1 1 15 13 13 o 14.70000       0.7994000     772.6252      -104.7 
1 1 1 15 13 14 o 257.7000       5.209000      2114.970      2.4    
1 1 1 15 13 15 o 114.7000       2.701000      1622.335      -39.8  
1 1 1 15 13 16 o 13.17000       0.9165000     777.9933      16.1   
1 1 1 15 13 17 o 63.68000       1.702000      1267.834      -158.0 
1 1 1 15 13 18 o 157.5000       3.621000      1636.862      -156.7 
1 1 1 15 13 19 o 261.0000       5.751000      2326.803      -52.6  
1 1 1 15 13 20 o 59.05000       1.996000      1262.694      116.0  
1 1 1 15 13 21 o 101.6000       3.001000      1646.110      -83.0  
1 1 1 15 13 22 o 40.29000       1.552000      1050.898      153.5  
1 1 1 15 13 23 o 17.55000       1.135000      493.2726      129.5  
1 1 1 15 13 24 o 105.9000       2.500000      1463.709      -178.4 
1 1 1 15 13 25 o 29.01000       1.330000      953.3144      41.4   
1 1 1 15 13 26 o 311.9000       6.349000      2698.586      -10.5  
1 1 1 15 13 27 o 52.70000       1.562000      981.4097      -113.9 
1 1 1 15 13 28 o 81.36000       2.031000      1455.540      -117.9 
1 1 1 15 13 29 o 37.35000       1.348000      1191.798      23.4   
1 1 1 15 13 30 o 54.67000       1.599000      1097.357      -43.6  
1 1 1 15 13 31 o 55.47000       1.772000      937.4486      -120.7 
1 1 1 15 13 32 o 14.24000       1.268000      635.9824      88.4   
1 1 1 15 13 33 o 63.11000       1.923000      1171.534      -32.0  
1 1 1 15 13 34 o 42.85000       1.632000      846.0281      154.7  
1 1 1 15 13 35 o 3.792000       1.234000      175.4021      -138.6 
1 1 1 15 13 36 o 6.371000       1.120000      351.9927      3.5    
1 1 1 15 13 37 o 59.15000       1.727000      1032.272      104.2  
1 1 1 15 13 38 o 142.4000       3.197000      1754.758      -170.8 
1 1 1 15 13 39 o 0.4994000      1.030000      142.4311      82.6   
1 1 1 15 13 40 o 6.884000       1.153000      191.8834      -139.5 
1 1 1 15 13 41 o 48.16000       2.126000      912.6172      -176.3 
1 1 1 15 13 42 o -0.9808000     1.057000      137.0792      -89.5  
1 1 1 15 13 43 o 1.085000       1.076000      55.62970      98.5   
1 1 1 15 13 44 o 19.90000       1.222000      526.0703      -106.0 
1 1 1 15 13 45 o 31.32000       1.389000      747.9409      -87.0  
1 1 1 15 13 46 o 9.173000       1.178000      337.2144      139.9  
1 1 1 15 13 47 o 2.426000       1.146000      353.4509      -14.3  
1 1 1 15 13 48 o 9.859000       1.217000      425.7381      -0.5   
1 1 1 15 13 49 o 0.8513000      1.193000      179.4453      -153.3 
1 1 1 15 13 50 o 18.81000       1.360000      742.0228      -122.0 
1 1 1 15 13 51 o 3.396000       1.391000      223.8066      100.9  
1 1 1 15 13 52 o 17.51000       1.564000      698.0521      -54.0  
1 1 1 15 13 53 o 1.345000       1.774000      302.4957      161.4  
1 1 1 15 13 54 o 0.1941000      1.492000      242.0287      -121.3 
1 1 1 15 13 55 o 9.595000       1.435000      388.1749      -12.1  
1 1 1 15 13 56 o 9.444000       1.580000      430.7686      -0.9   
1 1 1 15 13 57 o 5.438000       1.733000      ?             ?      
1 1 1 15 13 58 o 9.309000       1.502000      ?             ?      
1 1 1 15 13 59 o 10.72000       1.397000      ?             ?      
1 1 1 15 13 60 o 8.944000       1.396000      ?             ?      
1 1 1 15 13 61 o 6.632000       1.361000      ?             ?      
1 1 1 15 13 62 o 1.140000       1.304000      ?             ?      
1 1 1 15 13 63 o 3.351000       1.332000      ?             ?      
1 1 1 15 13 64 o -0.2886000     1.303000      ?             ?      
1 1 1 15 13 65 o 2.226000       1.308000      ?             ?      
1 1 1 15 13 66 o 3.623000       1.327000      ?             ?      
1 1 1 15 13 67 o 9.453000       1.523000      ?             ?      
1 1 1 15 13 68 o 1.645000       1.681000      ?             ?      
1 1 1 15 13 70 f 3.612000       1.757000      ?             ?      
1 1 1 15 13 71 o 2.372000       1.717000      ?             ?      
1 1 1 15 13 72 o 2.785000       1.497000      ?             ?      
1 1 1 15 13 73 o 2.559000       2.307000      ?             ?      
1 1 1 15 14 0  o -0.8780000     0.6225000     57.30519      -90.0  
1 1 1 15 14 1  o -0.6386000     0.4323000     507.3328      47.0   
1 1 1 15 14 2  o 15.23000       0.7678000     490.7038      -113.2 
1 1 1 15 14 3  o 27.06000       0.8571000     930.2703      176.3  
1 1 1 15 14 4  o 45.43000       1.219000      1103.525      -83.4  
1 1 1 15 14 5  o 283.9000       6.519000      2200.188      -14.9  
1 1 1 15 14 6  o 25.95000       0.8829000     802.5978      -81.5  
1 1 1 15 14 7  o 46.91000       1.221000      1268.057      -76.8  
1 1 1 15 14 8  o 14.35000       0.7047000     509.1591      -56.1  
1 1 1 15 14 9  o 13.33000       0.7795000     771.8491      168.1  
1 1 1 15 14 10 o 24.28000       0.9262000     695.5999      -69.5  
1 1 1 15 14 11 o 104.9000       2.450000      1783.470      -5.0   
1 1 1 15 14 12 o 31.75000       1.285000      516.2836      35.1   
1 1 1 15 14 13 o 45.99000       1.435000      1396.948      178.3  
1 1 1 15 14 14 o 14.39000       0.7984000     560.7776      -88.0  
1 1 1 15 14 15 o 94.62000       2.235000      1378.448      113.0  
1 1 1 15 14 16 o 53.16000       1.543000      1299.765      98.4   
1 1 1 15 14 17 o 464.3000       8.789000      2450.672      152.7  
1 1 1 15 14 18 o 104.1000       2.267000      1809.561      -107.9 
1 1 1 15 14 19 o 30.96000       1.225000      1091.845      26.2   
1 1 1 15 14 20 o 114.0000       3.208000      1333.584      29.4   
1 1 1 15 14 21 o 166.6000       4.556000      1858.589      -124.6 
1 1 1 15 14 22 o 64.41000       1.989000      1282.017      161.3  
1 1 1 15 14 23 o 75.60000       1.962000      1246.832      5.6    
1 1 1 15 14 24 o 57.09000       1.683000      1114.568      4.6    
1 1 1 15 14 25 o 65.47000       1.784000      1318.742      -14.7  
1 1 1 15 14 26 o 31.75000       1.257000      630.4594      -176.6 
1 1 1 15 14 27 o 46.41000       1.466000      835.0444      -140.3 
1 1 1 15 14 28 o 24.89000       1.176000      650.7742      -178.4 
1 1 1 15 14 29 o 5.558000       0.9903000     250.7838      73.6   
1 1 1 15 14 30 o 7.440000       1.003000      473.8540      -134.2 
1 1 1 15 14 31 o 1.982000       1.079000      139.2764      115.0  
1 1 1 15 14 32 o 49.70000       1.689000      984.4821      18.3   
1 1 1 15 14 33 o 46.97000       1.779000      737.2755      124.1  
1 1 1 15 14 34 o 70.44000       2.396000      1043.481      -47.3  
1 1 1 15 14 35 o 8.621000       1.187000      475.4720      172.6  
1 1 1 15 14 36 o 31.32000       1.437000      759.7125      150.4  
1 1 1 15 14 37 o 94.79000       2.537000      1334.603      -115.0 
1 1 1 15 14 38 o -0.5429000     1.040000      226.2702      5.5    
1 1 1 15 14 39 o 80.97000       2.372000      1316.095      -38.9  
1 1 1 15 14 40 o 21.76000       1.552000      570.3548      -60.3  
1 1 1 15 14 41 o 29.01000       1.480000      789.1232      -72.8  
1 1 1 15 14 42 o 6.271000       1.093000      556.8194      -81.8  
1 1 1 15 14 43 o 6.693000       1.098000      235.4949      35.0   
1 1 1 15 14 44 o 6.329000       1.110000      323.6263      107.9  
1 1 1 15 14 45 f 3.212000       1.114000      209.0026      -83.9  
1 1 1 15 14 46 o 6.292000       1.148000      344.5573      -84.2  
1 1 1 15 14 47 o 3.213000       1.157000      67.10374      94.8   
1 1 1 15 14 48 o 5.881000       1.204000      373.4016      -14.8  
1 1 1 15 14 49 o 1.749000       1.200000      213.0752      48.6   
1 1 1 15 14 50 o 22.21000       1.397000      717.3601      51.0   
1 1 1 15 14 51 o 8.505000       1.431000      454.4521      107.5  
1 1 1 15 14 52 o 7.957000       1.581000      350.0618      -148.1 
1 1 1 15 14 53 o 6.080000       1.806000      404.0203      98.2   
1 1 1 15 14 54 o 0.6099000      1.614000      324.9897      148.7  
1 1 1 15 14 55 o 3.002000       1.559000      310.8736      14.8   
1 1 1 15 14 56 o 2.736000       1.546000      117.0493      31.6   
1 1 1 15 14 57 o 2.863000       1.530000      ?             ?      
1 1 1 15 14 58 o 5.425000       1.357000      ?             ?      
1 1 1 15 14 59 o 6.578000       1.363000      ?             ?      
1 1 1 15 14 60 o 13.43000       1.425000      ?             ?      
1 1 1 15 14 61 o 1.613000       1.312000      ?             ?      
1 1 1 15 14 62 o 1.614000       1.290000      ?             ?      
1 1 1 15 14 63 o 4.470000       1.325000      ?             ?      
1 1 1 15 14 64 o -0.1585000     1.287000      ?             ?      
1 1 1 15 14 65 o -0.5403000     1.293000      ?             ?      
1 1 1 15 14 66 o -0.2722000E-01 1.314000      ?             ?      
1 1 1 15 14 67 o 3.992000       1.461000      ?             ?      
1 1 1 15 14 68 o 8.991000       1.660000      ?             ?      
1 1 1 15 14 69 o 1.837000       2.164000      ?             ?      
1 1 1 15 14 70 o 3.295000       2.746000      ?             ?      
1 1 1 15 14 71 o 3.534000       1.592000      ?             ?      
1 1 1 15 14 72 o 1.250000       1.372000      ?             ?      
1 1 1 15 15 0  o 9.120000       0.7712000     415.4898      90.0   
1 1 1 15 15 1  o 26.52000       0.7452000     1013.113      63.0   
1 1 1 15 15 2  o 166.1000       3.242000      1859.425      -38.8  
1 1 1 15 15 3  o 43.97000       1.090000      1244.597      -60.9  
1 1 1 15 15 4  o 92.48000       2.087000      1608.565      24.7   
1 1 1 15 15 5  o 82.04000       2.034000      1789.560      -16.0  
1 1 1 15 15 6  o 113.3000       2.517000      1582.635      -116.3 
1 1 1 15 15 7  o -2.758000      0.8123000     101.4593      25.2   
1 1 1 15 15 8  o 49.59000       1.400000      1042.087      167.7  
1 1 1 15 15 9  o 1.337000       0.7957000     474.9751      2.5    
1 1 1 15 15 10 o 74.33000       1.887000      1317.164      177.9  
1 1 1 15 15 11 o 40.44000       1.491000      1164.978      63.7   
1 1 1 15 15 12 o 45.83000       1.532000      1079.952      -36.2  
1 1 1 15 15 13 o 15.20000       0.8782000     458.2789      -56.1  
1 1 1 15 15 14 o 52.92000       1.519000      1105.327      -80.1  
1 1 1 15 15 15 o 206.9000       4.071000      2425.557      -64.4  
1 1 1 15 15 16 o 127.1000       2.978000      1605.335      -158.8 
1 1 1 15 15 17 o -3.186000      1.171000      385.9391      -45.0  
1 1 1 15 15 18 o 43.18000       1.445000      1233.897      18.0   
1 1 1 15 15 19 o 76.09000       2.226000      1285.448      -32.9  
1 1 1 15 15 20 o 83.97000       2.567000      1608.200      158.2  
1 1 1 15 15 21 o 235.6000       6.248000      1880.216      -69.4  
1 1 1 15 15 22 o 39.40000       1.457000      1172.611      76.9   
1 1 1 15 15 23 o 5.628000       1.049000      283.6439      -115.4 
1 1 1 15 15 24 o 83.09000       2.090000      1237.470      79.2   
1 1 1 15 15 25 o 89.81000       2.196000      1579.969      8.4    
1 1 1 15 15 26 o 17.31000       1.074000      792.0227      2.1    
1 1 1 15 15 27 o 66.22000       1.775000      1188.402      -117.0 
1 1 1 15 15 28 o 19.94000       1.117000      650.3306      52.3   
1 1 1 15 15 29 o 4.308000       0.9813000     193.4898      -126.1 
1 1 1 15 15 30 o 55.37000       1.601000      1039.233      -37.2  
1 1 1 15 15 31 o 8.908000       0.9930000     333.7096      171.4  
1 1 1 15 15 32 o 2.455000       1.069000      222.9109      -168.6 
1 1 1 15 15 33 o 9.012000       1.207000      388.2104      8.5    
1 1 1 15 15 34 o 20.93000       1.259000      791.5494      135.3  
1 1 1 15 15 35 o 12.29000       1.218000      594.2360      34.7   
1 1 1 15 15 36 o 39.68000       1.697000      777.7299      148.1  
1 1 1 15 15 37 o 7.523000       1.179000      521.5997      173.7  
1 1 1 15 15 38 o 11.56000       1.101000      538.7578      63.1   
1 1 1 15 15 39 o 17.10000       1.278000      484.9943      104.3  
1 1 1 15 15 40 o 7.166000       1.229000      503.6624      73.5   
1 1 1 15 15 41 o 7.310000       1.109000      414.4657      42.1   
1 1 1 15 15 42 o 0.6101000      1.064000      134.6957      174.6  
1 1 1 15 15 43 o 10.14000       1.128000      599.5812      -20.5  
1 1 1 15 15 44 o 5.571000       1.106000      263.3741      -57.2  
1 1 1 15 15 45 o 9.895000       1.169000      518.6017      -97.5  
1 1 1 15 15 46 o 6.671000       1.228000      423.9790      20.5   
1 1 1 15 15 47 o 16.76000       1.279000      632.9872      90.5   
1 1 1 15 15 48 o 22.90000       1.372000      633.6235      172.4  
1 1 1 15 15 49 o 4.393000       1.222000      385.4745      -120.7 
1 1 1 15 15 50 o 4.831000       1.245000      332.5265      153.5  
1 1 1 15 15 51 o 8.270000       1.322000      491.9381      91.2   
1 1 1 15 15 52 o 12.31000       1.537000      552.8048      -123.8 
1 1 1 15 15 53 o 1.974000       1.471000      424.3425      137.3  
1 1 1 15 15 54 o 5.710000       1.567000      331.0877      84.9   
1 1 1 15 15 55 o 11.34000       1.778000      435.1931      15.9   
1 1 1 15 15 56 o 3.771000       1.697000      200.2197      17.9   
1 1 1 15 15 57 o 4.057000       1.508000      ?             ?      
1 1 1 15 15 58 o -0.1652000     1.298000      ?             ?      
1 1 1 15 15 59 o 0.6383000      1.305000      ?             ?      
1 1 1 15 15 60 o 7.048000       1.367000      ?             ?      
1 1 1 15 15 61 o -0.6191000     1.295000      ?             ?      
1 1 1 15 15 62 o 0.5632000      1.273000      ?             ?      
1 1 1 15 15 63 o -0.4952000     1.274000      ?             ?      
1 1 1 15 15 64 o 8.043000       1.361000      ?             ?      
1 1 1 15 15 65 o -0.9030000     1.289000      ?             ?      
1 1 1 15 15 66 o 7.924000       1.380000      ?             ?      
1 1 1 15 15 67 o 2.794000       1.333000      ?             ?      
1 1 1 15 15 68 o 4.668000       1.500000      ?             ?      
1 1 1 15 15 69 o 1.623000       2.141000      ?             ?      
1 1 1 15 15 70 o 2.164000       2.309000      ?             ?      
1 1 1 15 15 71 o 0.9423000      1.938000      ?             ?      
1 1 1 15 15 72 o 1.502000       1.385000      ?             ?      
1 1 1 15 16 0  o 68.95000       3.055000      957.5003      90.0   
1 1 1 15 16 1  o 12.10000       0.7166000     811.2939      82.1   
1 1 1 15 16 2  o 6.635000       0.5482000     474.8474      88.8   
1 1 1 15 16 3  o 88.97000       2.440000      1548.065      104.7  
1 1 1 15 16 4  o 16.40000       1.011000      906.6793      4.2    
1 1 1 15 16 5  o 13.38000       0.8416000     434.3381      64.3   
1 1 1 15 16 6  o 82.79000       2.201000      1449.571      -74.3  
1 1 1 15 16 7  o 224.4000       5.825000      2128.971      -38.6  
1 1 1 15 16 8  o 27.04000       1.074000      694.1318      -27.3  
1 1 1 15 16 9  o 44.72000       1.683000      1632.128      -112.3 
1 1 1 15 16 10 o 40.40000       1.537000      1207.606      103.2  
1 1 1 15 16 11 o 26.54000       1.198000      880.9272      5.3    
1 1 1 15 16 12 o 20.85000       0.8945000     665.2623      -177.0 
1 1 1 15 16 13 o 7.650000       0.7899000     580.8647      -94.2  
1 1 1 15 16 14 o 30.37000       1.154000      716.6933      -12.3  
1 1 1 15 16 15 o 158.9000       3.368000      1721.594      128.6  
1 1 1 15 16 16 o 35.04000       1.269000      1320.897      43.7   
1 1 1 15 16 17 o 2.269000       0.8350000     374.6514      142.2  
1 1 1 15 16 18 o 11.79000       0.9768000     733.2664      -38.1  
1 1 1 15 16 19 o 19.09000       1.209000      542.5437      131.9  
1 1 1 15 16 20 o 11.34000       1.256000      467.1514      -96.1  
1 1 1 15 16 21 o 50.81000       1.769000      1052.985      -92.0  
1 1 1 15 16 22 o 38.99000       1.403000      1137.567      63.7   
1 1 1 15 16 23 o 10.89000       1.052000      232.0959      65.1   
1 1 1 15 16 24 o 11.31000       1.030000      455.9206      85.7   
1 1 1 15 16 25 o 2.792000       0.9692000     366.5451      -24.7  
1 1 1 15 16 26 o 2.641000       0.9563000     121.8327      -85.9  
1 1 1 15 16 27 o 3.387000       0.9673000     129.7830      -74.9  
1 1 1 15 16 28 o 52.12000       1.565000      830.3721      114.4  
1 1 1 15 16 29 o 14.97000       1.070000      556.5751      68.2   
1 1 1 15 16 30 o 26.25000       1.181000      718.6907      -55.4  
1 1 1 15 16 31 o 11.01000       0.9925000     560.2816      26.1   
1 1 1 15 16 32 o 7.007000       1.087000      310.5296      154.5  
1 1 1 15 16 33 o 19.24000       1.244000      599.1572      79.2   
1 1 1 15 16 34 o 13.31000       1.169000      541.0364      -71.6  
1 1 1 15 16 35 o 4.107000       1.144000      276.5968      -167.4 
1 1 1 15 16 36 o 47.09000       1.723000      1029.205      -163.5 
1 1 1 15 16 37 o 20.30000       1.428000      659.4923      -79.5  
1 1 1 15 16 38 o 2.263000       1.278000      310.5944      30.9   
1 1 1 15 16 39 o 26.27000       1.631000      725.0425      -100.8 
1 1 1 15 16 40 o 26.28000       1.431000      708.1104      -130.9 
1 1 1 15 16 41 o 1.186000       1.056000      149.0103      12.8   
1 1 1 15 16 42 o 21.20000       1.244000      586.2693      117.1  
1 1 1 15 16 43 o 13.30000       1.170000      557.4009      -2.0   
1 1 1 15 16 44 o 4.819000       1.111000      267.1043      56.2   
1 1 1 15 16 45 o 21.52000       1.295000      599.4354      -80.9  
1 1 1 15 16 46 o 7.421000       1.183000      413.5563      -114.1 
1 1 1 15 16 47 o 5.114000       1.189000      428.4837      90.3   
1 1 1 15 16 48 o 2.817000       1.195000      279.7551      -20.3  
1 1 1 15 16 49 o 1.778000       1.208000      202.7146      -89.0  
1 1 1 15 16 50 o 3.539000       1.243000      351.4171      96.1   
1 1 1 15 16 51 o -0.6392000     1.272000      91.12281      -159.2 
1 1 1 15 16 52 o 12.06000       1.534000      577.6749      -157.8 
1 1 1 15 16 53 o 2.759000       1.586000      285.7397      -5.7   
1 1 1 15 16 54 o 3.508000       1.839000      223.7819      172.2  
1 1 1 15 16 55 o 0.8474000      1.897000      221.1738      70.0   
1 1 1 15 16 56 o 1.520000       1.675000      ?             ?      
1 1 1 15 16 57 o 3.321000       1.435000      ?             ?      
1 1 1 15 16 58 o 1.519000       1.289000      ?             ?      
1 1 1 15 16 59 o 2.991000       1.308000      ?             ?      
1 1 1 15 16 60 o 4.687000       1.310000      ?             ?      
1 1 1 15 16 61 o 4.484000       1.285000      ?             ?      
1 1 1 15 16 62 o 1.071000       1.260000      ?             ?      
1 1 1 15 16 63 o 4.740000       1.305000      ?             ?      
1 1 1 15 16 64 o 1.110000       1.288000      ?             ?      
1 1 1 15 16 65 o 5.347000       1.338000      ?             ?      
1 1 1 15 16 66 o 1.719000       1.307000      ?             ?      
1 1 1 15 16 67 o -0.5450000     1.310000      ?             ?      
1 1 1 15 16 68 o 1.806000       1.486000      ?             ?      
1 1 1 15 16 69 o 0.3809000      2.187000      ?             ?      
1 1 1 15 16 70 f 1.329000       2.309000      ?             ?      
1 1 1 15 16 71 o 3.195000       1.491000      ?             ?      
1 1 1 15 16 72 o 1.081000       1.387000      ?             ?      
1 1 1 15 17 0  o 4.177000       0.7895000     1067.325      90.0   
1 1 1 15 17 1  o 67.17000       1.721000      1150.625      -104.7 
1 1 1 15 17 2  o 10.83000       0.8864000     373.7007      -79.3  
1 1 1 15 17 3  o 4.078000       0.6163000     435.3412      137.7  
1 1 1 15 17 4  o 6.600000       0.6678000     432.9495      -68.2  
1 1 1 15 17 5  o 30.83000       1.199000      1045.663      -76.3  
1 1 1 15 17 6  o -0.2990000     0.6882000     395.9994      20.4   
1 1 1 15 17 7  o 19.32000       1.073000      539.5923      39.7   
1 1 1 15 17 8  o 17.03000       0.9513000     718.3695      174.7  
1 1 1 15 17 9  o 5.134000       0.8136000     451.8030      114.3  
1 1 1 15 17 10 o 7.370000       0.8053000     628.0807      -91.8  
1 1 1 15 17 11 o 10.06000       0.8830000     574.5345      154.3  
1 1 1 15 17 12 o 35.91000       1.254000      711.1332      96.6   
1 1 1 15 17 13 o 3.723000       0.7973000     472.1680      138.0  
1 1 1 15 17 14 o 9.448000       0.8668000     571.9045      -96.3  
1 1 1 15 17 15 o 4.884000       0.8587000     478.8865      -168.5 
1 1 1 15 17 16 o 76.09000       2.063000      1368.715      166.5  
1 1 1 15 17 17 o 29.59000       1.355000      1034.635      -8.2   
1 1 1 15 17 18 o 25.92000       1.262000      679.4197      -41.7  
1 1 1 15 17 19 o 24.35000       1.363000      809.1365      -78.0  
1 1 1 15 17 20 o 25.23000       1.676000      653.8419      71.3   
1 1 1 15 17 21 o 41.84000       1.509000      985.9177      3.7    
1 1 1 15 17 22 o 51.16000       1.582000      1221.585      152.5  
1 1 1 15 17 23 o 3.170000       0.9972000     287.7299      -87.9  
1 1 1 15 17 24 o 85.77000       2.122000      1320.128      27.3   
1 1 1 15 17 25 o 5.048000       0.9575000     532.4717      -37.2  
1 1 1 15 17 26 o 9.798000       0.9989000     524.2961      71.8   
1 1 1 15 17 27 o 20.80000       1.107000      739.5612      174.7  
1 1 1 15 17 28 o 33.79000       1.275000      914.2775      106.4  
1 1 1 15 17 29 o 16.18000       1.066000      594.6044      -121.3 
1 1 1 15 17 30 o 23.01000       1.136000      583.4987      -6.7   
1 1 1 15 17 31 o 4.674000       0.9559000     209.9940      94.3   
1 1 1 15 17 32 o 22.04000       1.116000      696.8228      120.5  
1 1 1 15 17 33 o 1.348000       1.055000      164.0578      177.5  
1 1 1 15 17 34 o 3.659000       1.152000      258.1512      58.1   
1 1 1 15 17 35 o 19.77000       1.366000      477.0864      98.4   
1 1 1 15 17 36 o 1.581000       1.172000      285.6472      -44.9  
1 1 1 15 17 37 o 16.44000       1.412000      723.4970      -45.7  
1 1 1 15 17 38 o 5.943000       1.311000      416.3447      -2.0   
1 1 1 15 17 39 o 10.43000       1.274000      581.6187      -158.0 
1 1 1 15 17 40 o 21.04000       1.303000      536.1672      1.9    
1 1 1 15 17 41 o 1.153000       1.071000      152.9803      173.0  
1 1 1 15 17 42 o 4.715000       1.095000      283.0633      64.7   
1 1 1 15 17 43 o 2.019000       1.089000      166.1292      -156.0 
1 1 1 15 17 44 o 9.201000       1.166000      428.7594      85.5   
1 1 1 15 17 45 o 8.430000       1.167000      303.7155      -68.2  
1 1 1 15 17 46 o 11.47000       1.216000      421.5309      56.1   
1 1 1 15 17 47 o 3.141000       1.188000      289.5108      97.5   
1 1 1 15 17 48 o 4.638000       1.210000      306.2490      -122.0 
1 1 1 15 17 49 o -0.9137000E-01 1.215000      98.58198      -153.9 
1 1 1 15 17 50 o 7.116000       1.292000      394.5486      100.2  
1 1 1 15 17 51 o 1.889000       1.296000      314.5737      -136.7 
1 1 1 15 17 52 o 6.866000       1.496000      345.2273      -94.3  
1 1 1 15 17 53 o 0.3777000      1.476000      141.6275      -146.0 
1 1 1 15 17 54 o 1.192000       1.635000      186.8731      108.9  
1 1 1 15 17 55 o -1.281000      2.215000      174.6727      -73.9  
1 1 1 15 17 56 o -0.7105000     1.646000      ?             ?      
1 1 1 15 17 57 o 0.2067000      1.295000      ?             ?      
1 1 1 15 17 58 o 1.296000       1.273000      ?             ?      
1 1 1 15 17 59 o 2.785000       1.269000      ?             ?      
1 1 1 15 17 60 o 0.4647000      1.260000      ?             ?      
1 1 1 15 17 61 o 0.4018000      1.261000      ?             ?      
1 1 1 15 17 62 o 3.782000       1.274000      ?             ?      
1 1 1 15 17 63 o -0.1312000     1.251000      ?             ?      
1 1 1 15 17 64 o 1.668000       1.276000      ?             ?      
1 1 1 15 17 65 o 0.7446000      1.277000      ?             ?      
1 1 1 15 17 66 o -0.7925000     1.282000      ?             ?      
1 1 1 15 17 67 o 1.234000       1.315000      ?             ?      
1 1 1 15 17 68 o 0.5801000      1.690000      ?             ?      
1 1 1 15 17 69 o 2.892000       2.255000      ?             ?      
1 1 1 15 17 70 o -0.1743000     2.167000      ?             ?      
1 1 1 15 17 71 o 0.8790000E-01  1.600000      ?             ?      
1 1 1 15 18 0  o 2.158000       0.8181000     670.0079      -90.0  
1 1 1 15 18 1  o 2.033000       0.6802000     285.4847      56.5   
1 1 1 15 18 2  o -0.1057000E-01 0.6725000     237.0450      -89.7  
1 1 1 15 18 3  o 17.71000       0.7416000     569.0715      95.1   
1 1 1 15 18 4  o 40.05000       1.226000      1011.110      8.0    
1 1 1 15 18 5  o 10.63000       0.8642000     652.5798      -141.2 
1 1 1 15 18 6  o 32.92000       1.310000      1071.696      7.9    
1 1 1 15 18 7  o 46.79000       1.450000      1046.001      -41.9  
1 1 1 15 18 8  o -1.879000      0.7762000     411.1236      -148.6 
1 1 1 15 18 9  o 5.645000       0.9687000     531.8710      -169.6 
1 1 1 15 18 10 o 8.531000       0.9006000     654.6966      -47.9  
1 1 1 15 18 11 o 28.77000       1.252000      855.2835      -165.6 
1 1 1 15 18 12 o 0.8637000      0.9338000     80.10995      3.3    
1 1 1 15 18 13 o 24.89000       1.201000      992.5778      -90.4  
1 1 1 15 18 14 o 12.87000       0.9327000     374.1801      -179.5 
1 1 1 15 18 15 o 10.76000       0.9561000     734.6880      44.9   
1 1 1 15 18 16 o 15.12000       0.9921000     552.7397      -30.0  
1 1 1 15 18 17 o 4.839000       1.013000      366.6657      -179.1 
1 1 1 15 18 18 o 1.988000       1.063000      414.8435      177.0  
1 1 1 15 18 19 o 24.77000       1.330000      676.6667      -168.9 
1 1 1 15 18 20 o 1.969000       1.035000      437.7360      102.0  
1 1 1 15 18 21 o 17.30000       1.082000      367.4243      -116.7 
1 1 1 15 18 22 o 4.057000       0.9850000     216.2422      100.2  
1 1 1 15 18 23 o 4.539000       0.9871000     342.8560      111.6  
1 1 1 15 18 24 o 7.980000       0.9937000     559.3042      77.9   
1 1 1 15 18 25 o 4.510000       0.9501000     390.5751      159.0  
1 1 1 15 18 26 o 21.67000       1.111000      595.9521      -179.9 
1 1 1 15 18 27 o 2.348000       0.9448000     283.8271      -179.5 
1 1 1 15 18 28 o 7.656000       0.9696000     358.1010      -74.8  
1 1 1 15 18 29 o 6.808000       0.9573000     227.8357      -67.0  
1 1 1 15 18 30 o 5.401000       0.9532000     482.8083      -87.6  
1 1 1 15 18 31 o 45.84000       1.611000      1117.920      71.6   
1 1 1 15 18 32 o 9.400000       0.9989000     447.7188      174.7  
1 1 1 15 18 33 o 1.280000       1.043000      206.4560      -42.3  
1 1 1 15 18 34 o 3.610000       1.149000      156.2144      -156.2 
1 1 1 15 18 35 o 7.417000       1.122000      336.6839      173.6  
1 1 1 15 18 36 o 2.571000       1.045000      110.8084      -117.7 
1 1 1 15 18 37 o 16.33000       1.449000      661.6365      36.9   
1 1 1 15 18 38 o 9.704000       2.001000      339.6666      -61.9  
1 1 1 15 18 39 o -1.255000      1.324000      154.0004      82.2   
1 1 1 15 18 40 o 5.493000       1.083000      291.8848      -132.3 
1 1 1 15 18 41 o 27.47000       1.346000      761.5903      90.4   
1 1 1 15 18 42 o 3.331000       1.098000      128.2579      72.6   
1 1 1 15 18 43 o 0.5309000      1.096000      136.9099      -117.4 
1 1 1 15 18 44 o 4.328000       1.136000      244.8575      -126.0 
1 1 1 15 18 45 o 9.901000       1.192000      435.6661      -167.5 
1 1 1 15 18 46 o 3.182000       1.160000      245.4049      81.5   
1 1 1 15 18 47 o 1.711000       1.185000      202.1843      58.5   
1 1 1 15 18 48 o 1.744000       1.212000      281.6326      -118.0 
1 1 1 15 18 49 o 3.244000       1.242000      267.0550      -78.0  
1 1 1 15 18 50 o 1.474000       1.264000      106.2513      114.1  
1 1 1 15 18 51 o 4.395000       1.311000      208.0961      -85.0  
1 1 1 15 18 52 o 1.483000       1.309000      106.2953      -106.3 
1 1 1 15 18 53 o 2.190000       1.475000      234.9967      0.4    
1 1 1 15 18 54 o 1.688000       1.782000      125.5241      -3.8   
1 1 1 15 18 55 o 4.918000       2.356000      ?             ?      
1 1 1 15 18 56 o 0.5394000      1.556000      ?             ?      
1 1 1 15 18 57 o 5.384000       1.412000      ?             ?      
1 1 1 15 18 58 o -0.2671000     1.253000      ?             ?      
1 1 1 15 18 59 o 3.218000       1.268000      ?             ?      
1 1 1 15 18 60 o 1.443000       1.315000      ?             ?      
1 1 1 15 18 61 o -1.645000      1.230000      ?             ?      
1 1 1 15 18 62 o -1.296000      1.241000      ?             ?      
1 1 1 15 18 63 o -0.4632000     1.249000      ?             ?      
1 1 1 15 18 64 o 1.019000       1.249000      ?             ?      
1 1 1 15 18 65 o 0.2301000      1.268000      ?             ?      
1 1 1 15 18 66 o 0.2597000      1.285000      ?             ?      
1 1 1 15 18 67 o 0.6263000      1.304000      ?             ?      
1 1 1 15 18 68 o -0.1002000     1.450000      ?             ?      
1 1 1 15 18 69 o -3.279000      1.733000      ?             ?      
1 1 1 15 18 70 o 0.6717000      1.482000      ?             ?      
1 1 1 15 18 71 o -3.568000      1.878000      ?             ?      
1 1 1 15 19 0  o 7.171000       0.9077000     407.2029      90.0   
1 1 1 15 19 1  o -0.6956000     0.6533000     6.189241      -117.6 
1 1 1 15 19 2  o 15.05000       1.014000      703.2683      100.8  
1 1 1 15 19 3  o 5.984000       0.9628000     380.3598      -120.9 
1 1 1 15 19 4  o 11.80000       0.8310000     610.1322      160.2  
1 1 1 15 19 5  o 6.536000       0.8930000     429.3229      130.7  
1 1 1 15 19 6  o 2.818000       0.9574000     376.5417      0.2    
1 1 1 15 19 7  o 11.83000       0.9228000     570.5140      -152.8 
1 1 1 15 19 8  o 22.38000       1.209000      674.8119      96.1   
1 1 1 15 19 9  o 1.620000       0.8882000     206.5807      56.5   
1 1 1 15 19 10 o -0.9062000     1.023000      238.0248      85.0   
1 1 1 15 19 11 o 8.820000       0.9872000     463.4796      103.4  
1 1 1 15 19 12 o 22.21000       1.145000      724.8252      -58.8  
1 1 1 15 19 13 o 6.303000       1.072000      141.6752      57.7   
1 1 1 15 19 14 o 1.432000       1.285000      324.2575      48.2   
1 1 1 15 19 15 o 0.6525000      0.9397000     96.54897      -176.1 
1 1 1 15 19 16 o 6.998000       1.056000      320.1940      121.9  
1 1 1 15 19 17 o 24.52000       1.403000      631.1352      -91.6  
1 1 1 15 19 18 o 0.9449000      1.086000      62.85996      -166.0 
1 1 1 15 19 19 o 1.984000       1.093000      140.1232      -73.0  
1 1 1 15 19 20 o 9.923000       1.212000      341.5044      71.3   
1 1 1 15 19 21 o 5.657000       1.002000      540.7446      -133.2 
1 1 1 15 19 22 o 11.89000       1.021000      460.3487      -133.9 
1 1 1 15 19 23 o 1.611000       0.9324000     68.58596      -117.1 
1 1 1 15 19 24 o 4.343000       0.9590000     167.7150      14.4   
1 1 1 15 19 25 o 3.802000       0.9647000     297.2641      -123.9 
1 1 1 15 19 26 o 0.9817000      0.9225000     263.5506      -135.6 
1 1 1 15 19 27 o -0.8063000     0.9173000     237.9148      -88.5  
1 1 1 15 19 28 o 9.471000       0.9668000     509.2954      68.5   
1 1 1 15 19 29 o 0.6248000      0.9075000     58.67570      -89.1  
1 1 1 15 19 30 o 5.247000       0.9761000     197.9741      -109.4 
1 1 1 15 19 31 o 0.1465000      0.9424000     94.55752      -129.8 
1 1 1 15 19 32 o 6.000000       0.9693000     274.9047      148.7  
1 1 1 15 19 33 o -0.2437000     1.034000      84.54240      124.8  
1 1 1 15 19 34 o 3.505000       1.068000      228.0132      13.1   
1 1 1 15 19 35 o 4.737000       1.175000      152.5177      145.6  
1 1 1 15 19 36 o 9.335000       1.162000      471.5967      -66.6  
1 1 1 15 19 37 o -0.6089000     1.296000      134.5773      144.1  
1 1 1 15 19 38 o 1.404000       1.758000      214.9793      124.9  
1 1 1 15 19 39 o 3.776000       1.339000      311.6537      155.3  
1 1 1 15 19 40 o 7.198000       1.130000      351.9152      -117.1 
1 1 1 15 19 41 o 2.251000       1.105000      52.63511      133.1  
1 1 1 15 19 42 f -0.2299000     1.082000      266.3159      134.1  
1 1 1 15 19 43 o 0.5560000      1.103000      73.46213      -56.3  
1 1 1 15 19 44 o 3.053000       1.130000      145.5156      109.3  
1 1 1 15 19 45 o 2.698000       1.146000      101.2982      174.7  
1 1 1 15 19 46 o 5.173000       1.190000      265.6499      -27.9  
1 1 1 15 19 47 o -0.1701000E-01 1.197000      142.0735      -4.9   
1 1 1 15 19 48 o 1.963000       1.220000      189.0974      -27.0  
1 1 1 15 19 49 o 3.863000       1.267000      245.3662      -86.9  
1 1 1 15 19 50 o -1.133000      1.275000      58.93248      -56.5  
1 1 1 15 19 51 o 7.463000       1.345000      312.1876      -122.5 
1 1 1 15 19 52 o 0.5392000      1.298000      67.11857      39.6   
1 1 1 15 19 53 o 3.774000       1.627000      249.7707      -126.8 
1 1 1 15 19 54 o -0.5125000     2.220000      80.14716      73.7   
1 1 1 15 19 55 o 0.3311000      1.593000      ?             ?      
1 1 1 15 19 56 o -0.3799000     1.421000      ?             ?      
1 1 1 15 19 57 o 0.7350000      1.371000      ?             ?      
1 1 1 15 19 58 o -0.2238000E-01 1.261000      ?             ?      
1 1 1 15 19 59 o -0.9939000     1.238000      ?             ?      
1 1 1 15 19 60 o 3.459000       1.249000      ?             ?      
1 1 1 15 19 61 f 0.8049000      1.243000      ?             ?      
1 1 1 15 19 62 o -1.180000      1.220000      ?             ?      
1 1 1 15 19 63 o 0.1259000      1.238000      ?             ?      
1 1 1 15 19 64 o 0.6388000      1.258000      ?             ?      
1 1 1 15 19 65 o 0.5987000      1.268000      ?             ?      
1 1 1 15 19 66 o 3.190000       1.291000      ?             ?      
1 1 1 15 19 67 o 1.519000       1.440000      ?             ?      
1 1 1 15 19 68 o 0.1144000      1.564000      ?             ?      
1 1 1 15 19 69 o 4.244000       1.770000      ?             ?      
1 1 1 15 19 70 o -0.2624000     1.857000      ?             ?      
1 1 1 15 19 71 o 0.6495000E-02  1.885000      ?             ?      
1 1 1 15 20 0  o 2.285000       1.127000      227.4008      90.0   
1 1 1 15 20 1  o 0.3125000      0.7426000     228.5520      -122.8 
1 1 1 15 20 2  o -0.1162000     0.8121000     59.04155      -68.9  
1 1 1 15 20 3  o 3.256000       0.8124000     252.0314      -26.7  
1 1 1 15 20 4  o 8.299000       1.112000      549.4600      -48.9  
1 1 1 15 20 5  o 17.92000       1.283000      724.4548      -129.7 
1 1 1 15 20 6  o 5.443000       1.092000      135.6620      17.2   
1 1 1 15 20 7  f 2.263000       1.043000      353.0235      -132.6 
1 1 1 15 20 8  o -2.561000      0.9188000     299.4418      118.2  
1 1 1 15 20 9  o 10.68000       1.086000      214.0569      161.1  
1 1 1 15 20 10 o 6.037000       1.004000      283.4623      -53.7  
1 1 1 15 20 11 o 2.693000       1.013000      343.6275      163.1  
1 1 1 15 20 12 o -0.9514000     1.007000      385.2216      61.0   
1 1 1 15 20 13 o 0.2542000E-01  1.081000      321.5503      -95.5  
1 1 1 15 20 14 o 3.789000       1.105000      299.4618      -116.8 
1 1 1 15 20 15 o 3.559000       1.012000      157.6321      84.9   
1 1 1 15 20 16 o 5.180000       1.126000      210.6575      -138.6 
1 1 1 15 20 17 o 0.5293000      1.155000      195.6354      168.7  
1 1 1 15 20 18 o 3.344000       1.149000      96.29244      45.4   
1 1 1 15 20 19 o 4.363000       1.087000      28.08747      83.8   
1 1 1 15 20 20 o 2.227000       0.9917000     125.1402      -23.1  
1 1 1 15 20 21 o 6.167000       0.9976000     368.0821      -94.2  
1 1 1 15 20 22 o -1.002000      0.9522000     60.30378      51.9   
1 1 1 15 20 23 o 0.9803000E-01  0.9272000     85.45520      -118.1 
1 1 1 15 20 24 o 0.8475000E-01  0.9338000     145.2213      9.5    
1 1 1 15 20 25 o 17.88000       1.065000      484.0398      164.5  
1 1 1 15 20 26 o 3.354000       0.9476000     227.8346      136.6  
1 1 1 15 20 27 o 2.928000       0.9005000     99.50247      117.5  
1 1 1 15 20 28 o 0.4866000      0.8971000     59.15648      41.8   
1 1 1 15 20 29 o 2.718000       0.9201000     346.6348      -135.4 
1 1 1 15 20 30 o 1.582000       0.9321000     182.9781      96.9   
1 1 1 15 20 31 o 10.61000       1.003000      489.1578      17.2   
1 1 1 15 20 32 o 0.4301000      0.9236000     201.9885      -81.6  
1 1 1 15 20 33 o 0.9842000      0.9519000     96.35727      159.8  
1 1 1 15 20 34 o 3.816000       1.060000      180.0231      -168.0 
1 1 1 15 20 35 o 0.6946000      1.140000      72.84332      111.8  
1 1 1 15 20 36 o 1.538000       1.209000      85.31953      -21.2  
1 1 1 15 20 37 o 1.157000       1.233000      121.4968      101.0  
1 1 1 15 20 38 o 0.7568000      1.374000      111.9718      -135.1 
1 1 1 15 20 39 o 1.589000       1.313000      101.9630      -142.7 
1 1 1 15 20 40 o 0.3831000      1.211000      125.7717      -118.9 
1 1 1 15 20 41 o 7.747000       1.165000      386.9833      87.5   
1 1 1 15 20 42 o 2.186000       1.113000      90.85961      153.2  
1 1 1 15 20 43 o 3.498000       1.144000      243.0949      -132.8 
1 1 1 15 20 44 o 3.120000       1.148000      223.6107      -178.4 
1 1 1 15 20 45 o 1.927000       1.175000      136.5670      -133.4 
1 1 1 15 20 46 o 4.215000       1.206000      244.8534      -11.8  
1 1 1 15 20 47 o 0.1461000      1.203000      47.89099      45.1   
1 1 1 15 20 48 o -0.1834000     1.242000      63.04766      55.2   
1 1 1 15 20 49 o 4.418000       1.294000      238.4924      56.1   
1 1 1 15 20 50 o 2.413000       1.301000      172.1377      -21.8  
1 1 1 15 20 51 o 1.887000       1.318000      212.4361      -53.5  
1 1 1 15 20 52 o 5.452000       1.336000      127.2830      -120.5 
1 1 1 15 20 53 o 0.4389000      1.435000      74.23827      143.0  
1 1 1 15 20 54 o -1.216000      1.613000      ?             ?      
1 1 1 15 20 55 o 3.002000       1.410000      ?             ?      
1 1 1 15 20 56 o 0.9175000      1.676000      ?             ?      
1 1 1 15 20 57 o 0.7474000      1.470000      ?             ?      
1 1 1 15 20 58 o 0.2485000      1.357000      ?             ?      
1 1 1 15 20 59 f 1.233000       1.234000      ?             ?      
1 1 1 15 20 60 o 1.749000       1.229000      ?             ?      
1 1 1 15 20 61 o 0.8297000      1.245000      ?             ?      
1 1 1 15 20 62 o 0.9277000      1.254000      ?             ?      
1 1 1 15 20 63 o 2.260000       1.265000      ?             ?      
1 1 1 15 20 64 o 0.3536000      1.252000      ?             ?      
1 1 1 15 20 65 o -0.8157000     1.253000      ?             ?      
1 1 1 15 20 66 o 0.1433000      1.275000      ?             ?      
1 1 1 15 20 67 o -0.6962000     1.454000      ?             ?      
1 1 1 15 20 68 o -2.435000      1.636000      ?             ?      
1 1 1 15 20 69 o -0.4297000     1.466000      ?             ?      
1 1 1 15 20 70 o -3.676000      1.587000      ?             ?      
1 1 1 15 21 0  o 9.097000       1.057000      351.7769      90.0   
1 1 1 15 21 1  o 0.3874000      0.6785000     37.37999      84.1   
1 1 1 15 21 2  o -0.2180000E-01 0.7067000     71.08234      -33.2  
1 1 1 15 21 3  o -1.984000      0.7895000     54.38730      -176.8 
1 1 1 15 21 4  o 2.600000       0.8656000     195.1992      116.6  
1 1 1 15 21 5  o -0.9903000     0.7718000     281.6762      65.9   
1 1 1 15 21 6  o 3.798000       0.8971000     181.5360      13.7   
1 1 1 15 21 7  o -0.3456000     1.111000      126.4341      -58.0  
1 1 1 15 21 8  o -0.2211000     0.9591000     7.394883      -176.2 
1 1 1 15 21 9  o -0.7962000     1.189000      7.351263      177.7  
1 1 1 15 21 10 o -1.137000      1.191000      231.0938      158.5  
1 1 1 15 21 11 o 0.2318000      1.020000      147.1748      -124.5 
1 1 1 15 21 12 o 0.1460000      1.143000      202.6750      -57.2  
1 1 1 15 21 13 o 1.163000       1.133000      108.6776      129.4  
1 1 1 15 21 14 o -0.1309000     1.158000      261.6264      -50.5  
1 1 1 15 21 15 o 0.3315000      1.448000      194.7170      -106.8 
1 1 1 15 21 16 o 0.4909000      1.158000      91.84525      66.2   
1 1 1 15 21 17 o 0.9990000      1.269000      229.9523      122.4  
1 1 1 15 21 18 o 1.037000       1.170000      104.0756      36.4   
1 1 1 15 21 19 o 0.8012000      1.066000      143.0575      -80.4  
1 1 1 15 21 20 o 2.202000       0.9998000     103.6993      55.7   
1 1 1 15 21 21 o 1.657000       0.9534000     153.9940      179.1  
1 1 1 15 21 22 o 1.105000       0.9611000     30.22937      -40.8  
1 1 1 15 21 23 o 0.1800000      0.9290000     9.341632      165.8  
1 1 1 15 21 24 o 2.615000       0.9174000     55.49354      -101.7 
1 1 1 15 21 25 o 3.999000       0.9284000     135.5136      -35.4  
1 1 1 15 21 26 o 3.920000       0.9340000     223.8782      -46.6  
1 1 1 15 21 27 o 0.6986000      0.9052000     308.3355      154.4  
1 1 1 15 21 28 o 2.012000       0.9038000     194.6886      21.4   
1 1 1 15 21 29 o -2.438000      1.027000      159.4711      129.1  
1 1 1 15 21 30 o 0.9312000      0.9240000     170.0217      -104.4 
1 1 1 15 21 31 o 2.751000       0.9416000     177.9823      -153.5 
1 1 1 15 21 32 o 2.875000       0.9254000     153.5836      86.7   
1 1 1 15 21 33 o 0.3529000      0.9223000     45.55622      -50.9  
1 1 1 15 21 34 o 0.1530000      1.048000      86.37268      -92.7  
1 1 1 15 21 35 o 3.698000       1.113000      159.8351      -106.2 
1 1 1 15 21 36 o 4.589000       1.380000      98.67696      33.4   
1 1 1 15 21 37 o 0.4635000      1.494000      94.87599      46.3   
1 1 1 15 21 38 o 0.1032000      1.229000      104.5673      154.1  
1 1 1 15 21 39 o 1.050000       1.319000      182.0665      -55.8  
1 1 1 15 21 40 o 2.932000       1.249000      213.6360      -48.3  
1 1 1 15 21 41 o 2.794000       1.148000      110.4044      138.9  
1 1 1 15 21 42 o 1.967000       1.137000      70.16703      14.0   
1 1 1 15 21 43 o -0.2038000     1.265000      35.07582      86.4   
1 1 1 15 21 44 o -1.780000      1.156000      97.76081      -80.4  
1 1 1 15 21 45 o 5.437000       1.235000      281.3208      21.0   
1 1 1 15 21 46 o 1.795000       1.207000      129.4081      5.4    
1 1 1 15 21 47 o 1.822000       1.237000      45.01635      -164.8 
1 1 1 15 21 48 o 2.040000       1.260000      96.59959      99.4   
1 1 1 15 21 49 o -0.3893000     1.280000      190.5587      -117.0 
1 1 1 15 21 50 o -2.072000      1.284000      104.6632      138.1  
1 1 1 15 21 51 o 0.5636000      1.293000      147.4069      -49.1  
1 1 1 15 21 52 o 0.6754000      1.436000      29.98525      124.1  
1 1 1 15 21 53 o -0.3701000     1.653000      97.80859      -33.9  
1 1 1 15 21 54 o 1.561000       1.659000      ?             ?      
1 1 1 15 21 55 o -0.5874000     1.521000      ?             ?      
1 1 1 15 21 56 o -1.859000      1.360000      ?             ?      
1 1 1 15 21 57 o 3.302000       1.533000      ?             ?      
1 1 1 15 21 58 o 2.254000       1.451000      ?             ?      
1 1 1 15 21 59 o 0.6334000      1.233000      ?             ?      
1 1 1 15 21 60 o 1.176000       1.238000      ?             ?      
1 1 1 15 21 61 o 3.806000       1.255000      ?             ?      
1 1 1 15 21 62 o 0.3366000      1.250000      ?             ?      
1 1 1 15 21 63 o 2.795000       1.269000      ?             ?      
1 1 1 15 21 64 o 0.4011000      1.245000      ?             ?      
1 1 1 15 21 65 o 1.429000       1.263000      ?             ?      
1 1 1 15 21 66 o 0.2394000      1.584000      ?             ?      
1 1 1 15 21 67 o 0.4498000      1.865000      ?             ?      
1 1 1 15 21 68 o 1.129000       1.716000      ?             ?      
1 1 1 15 21 69 o -2.294000      1.322000      ?             ?      
1 1 1 15 21 70 o 0.8908000      1.600000      ?             ?      
1 1 1 15 22 0  o -1.175000      1.358000      286.8809      90.0   
1 1 1 15 22 1  o 0.6853000      0.7133000     140.2051      42.4   
1 1 1 15 22 2  o -1.092000      0.7121000     110.8474      -41.7  
1 1 1 15 22 3  o 0.4183000      0.7507000     188.8592      -115.1 
1 1 1 15 22 4  o 2.470000       0.7912000     380.3856      171.9  
1 1 1 15 22 5  o 2.472000       0.8290000     256.6108      -149.5 
1 1 1 15 22 6  o -2.431000      0.8997000     92.17612      150.4  
1 1 1 15 22 7  o -2.100000      1.073000      134.8001      60.5   
1 1 1 15 22 8  o -0.9964000     0.9986000     62.98503      -47.2  
1 1 1 15 22 9  o -1.966000      1.250000      98.46838      -112.7 
1 1 1 15 22 10 f 1.294000       1.265000      101.9131      -71.5  
1 1 1 15 22 11 o -1.834000      1.100000      88.73083      -70.4  
1 1 1 15 22 12 o 4.090000       1.340000      67.55600      117.0  
1 1 1 15 22 13 o -1.452000      1.334000      178.1674      154.3  
1 1 1 15 22 14 o -0.6593000E-01 1.238000      167.8072      -107.7 
1 1 1 15 22 15 o 1.351000       1.488000      343.1911      163.0  
1 1 1 15 22 16 o 0.1202000      1.473000      80.14174      12.8   
1 1 1 15 22 17 o -0.8094000     1.163000      170.9414      12.3   
1 1 1 15 22 18 o 1.044000       1.168000      132.3342      84.4   
1 1 1 15 22 19 o 1.089000       1.011000      213.7198      60.5   
1 1 1 15 22 20 o -0.9591000     0.9786000     117.6994      135.9  
1 1 1 15 22 21 o -0.9440000E-01 0.9674000     123.6858      40.6   
1 1 1 15 22 22 o 1.297000       0.9516000     146.7106      -58.1  
1 1 1 15 22 23 o 2.338000       0.9308000     220.5939      -97.5  
1 1 1 15 22 24 o 0.1945000      0.8886000     82.97159      -134.7 
1 1 1 15 22 25 o 0.2301000      0.8714000     136.7766      81.6   
1 1 1 15 22 26 o 0.1466000      0.8778000     207.0924      2.0    
1 1 1 15 22 27 o 0.2015000      0.8967000     133.4888      123.7  
1 1 1 15 22 28 o 1.429000       0.9039000     56.36530      90.0   
1 1 1 15 22 29 o 1.349000       0.9181000     111.6331      -1.9   
1 1 1 15 22 30 o -0.2405000     0.9127000     208.1213      -169.7 
1 1 1 15 22 31 o 0.8501000E-01  0.9404000     121.3027      -120.8 
1 1 1 15 22 32 o 0.2132000      0.9234000     177.7002      -47.9  
1 1 1 15 22 33 o -1.892000      0.9159000     34.17419      -10.5  
1 1 1 15 22 34 o 2.806000       0.9749000     256.0826      125.9  
1 1 1 15 22 35 o 2.513000       1.282000      220.5540      134.9  
1 1 1 15 22 36 o 0.2761000      1.545000      86.82112      -26.6  
1 1 1 15 22 37 o -0.1640000     1.313000      75.89229      171.0  
1 1 1 15 22 38 o 2.333000       1.073000      121.0451      123.8  
1 1 1 15 22 39 o 0.1343000      1.207000      102.6033      46.7   
1 1 1 15 22 40 o -0.4662000     1.334000      55.19810      112.4  
1 1 1 15 22 41 o 1.502000       1.270000      155.3164      131.7  
1 1 1 15 22 42 o 2.583000       1.153000      146.5929      -41.2  
1 1 1 15 22 43 o 2.129000       1.168000      105.8338      98.2   
1 1 1 15 22 44 o 2.565000       1.184000      174.9258      93.4   
1 1 1 15 22 45 o -1.073000      1.190000      143.2883      -11.9  
1 1 1 15 22 46 o 0.3574000      1.207000      151.0479      -70.1  
1 1 1 15 22 47 o 0.3655000      1.234000      113.6279      127.5  
1 1 1 15 22 48 o 2.707000       1.266000      75.44129      40.6   
1 1 1 15 22 49 o 7.414000       1.331000      177.1367      123.9  
1 1 1 15 22 50 o 3.950000       1.320000      82.60612      -94.3  
1 1 1 15 22 51 o 0.8382000      1.291000      162.3613      -150.8 
1 1 1 15 22 52 o 1.697000       1.439000      85.34044      67.7   
1 1 1 15 22 53 o 0.3488000      1.435000      ?             ?      
1 1 1 15 22 54 o -0.4532000     1.280000      ?             ?      
1 1 1 15 22 55 o 0.7597000E-01  1.423000      ?             ?      
1 1 1 15 22 56 o 0.4623000      1.362000      ?             ?      
1 1 1 15 22 57 o -0.4367000     1.394000      ?             ?      
1 1 1 15 22 58 o 1.966000       1.463000      ?             ?      
1 1 1 15 22 59 o 2.777000       1.349000      ?             ?      
1 1 1 15 22 60 o 0.1418000      1.228000      ?             ?      
1 1 1 15 22 61 o 2.289000       1.269000      ?             ?      
1 1 1 15 22 62 o 3.995000       1.302000      ?             ?      
1 1 1 15 22 63 o 2.650000       1.259000      ?             ?      
1 1 1 15 22 64 o 0.7671000      1.346000      ?             ?      
1 1 1 15 22 65 o 0.9365000      1.385000      ?             ?      
1 1 1 15 22 66 o 0.1232000      1.640000      ?             ?      
1 1 1 15 22 67 o -0.6323000     1.506000      ?             ?      
1 1 1 15 22 68 o 2.262000       1.446000      ?             ?      
1 1 1 15 22 69 o 1.396000       1.466000      ?             ?      
1 1 1 15 22 70 o 0.6864000      1.798000      ?             ?      
1 1 1 15 23 0  o -1.749000      1.078000      107.9865      90.0   
1 1 1 15 23 1  o -0.6469000     0.7533000     74.42593      157.4  
1 1 1 15 23 2  o 0.4618000      0.7616000     129.7446      18.6   
1 1 1 15 23 3  o 1.018000       0.8374000     313.3076      -158.8 
1 1 1 15 23 4  o 2.373000       0.8051000     346.3520      -115.2 
1 1 1 15 23 5  o -0.2740000     0.8345000     24.97864      88.8   
1 1 1 15 23 6  o 0.6132000      0.8643000     175.5376      118.9  
1 1 1 15 23 7  o 1.025000       1.072000      219.6504      60.1   
1 1 1 15 23 8  o -1.547000      1.138000      157.4493      -149.3 
1 1 1 15 23 9  o -1.454000      1.118000      291.9268      57.8   
1 1 1 15 23 10 o 6.612000       1.199000      347.1125      58.1   
1 1 1 15 23 11 o 10.68000       1.265000      545.5900      -63.3  
1 1 1 15 23 12 o 3.892000       1.373000      413.6060      81.5   
1 1 1 15 23 13 o 2.031000       1.377000      344.7199      4.7    
1 1 1 15 23 14 o 2.565000       1.487000      228.6943      107.3  
1 1 1 15 23 15 o 1.876000       2.090000      234.9547      -16.1  
1 1 1 15 23 16 o 2.054000       1.487000      211.5448      131.0  
1 1 1 15 23 17 o 0.2093000      1.450000      255.6979      -174.2 
1 1 1 15 23 18 o 3.137000       1.128000      252.4421      149.8  
1 1 1 15 23 19 o 0.9923000      1.052000      297.7913      -45.8  
1 1 1 15 23 20 o 8.840000       1.012000      436.3887      -146.1 
1 1 1 15 23 21 o 0.6686000      0.9710000     202.8868      92.0   
1 1 1 15 23 22 o 2.997000       0.9555000     186.5426      155.9  
1 1 1 15 23 23 o 6.054000       0.9628000     423.2947      -66.0  
1 1 1 15 23 24 o 0.3436000      0.8888000     99.79289      45.1   
1 1 1 15 23 25 o 3.356000       0.8829000     353.1736      83.4   
1 1 1 15 23 26 o 0.8040000      0.8627000     227.8000      131.8  
1 1 1 15 23 27 o 0.7794000      0.9020000     159.6710      -163.1 
1 1 1 15 23 28 o 1.442000       0.9210000     73.35782      -41.4  
1 1 1 15 23 29 o 1.693000       0.9323000     178.7472      -18.0  
1 1 1 15 23 30 o 11.15000       1.003000      446.0572      -40.2  
1 1 1 15 23 31 o 1.209000       0.9201000     130.7011      109.5  
1 1 1 15 23 32 o 0.1842000      0.9310000     67.01563      -3.8   
1 1 1 15 23 33 o 5.213000       0.9756000     531.0151      -118.1 
1 1 1 15 23 34 o 1.915000       1.002000      85.50835      44.2   
1 1 1 15 23 35 o -0.9251000     1.181000      94.23515      -46.2  
1 1 1 15 23 36 o 1.682000       1.596000      96.79525      -47.2  
1 1 1 15 23 37 o 1.494000       1.219000      173.7488      -111.4 
1 1 1 15 23 38 o 3.353000       1.171000      248.4515      40.8   
1 1 1 15 23 39 o -0.7252000     1.188000      177.0116      -54.5  
1 1 1 15 23 40 o 7.283000       1.294000      244.2557      66.2   
1 1 1 15 23 41 o 2.253000       1.398000      63.29296      9.4    
1 1 1 15 23 42 o -0.4854000     1.288000      107.4026      -104.8 
1 1 1 15 23 43 o 2.283000       1.182000      254.8501      108.8  
1 1 1 15 23 44 o 10.78000       1.265000      447.8598      105.4  
1 1 1 15 23 45 o -0.2003000     1.213000      224.6856      -13.4  
1 1 1 15 23 46 o 4.478000       1.246000      280.5277      -125.3 
1 1 1 15 23 47 o 0.3327000      1.259000      107.9943      -175.8 
1 1 1 15 23 48 o 0.6987000      1.275000      212.3407      137.8  
1 1 1 15 23 49 o 2.461000       1.304000      137.5359      -73.7  
1 1 1 15 23 50 o 2.319000       1.296000      168.2504      -68.6  
1 1 1 15 23 51 o 0.6525000      1.406000      155.6788      -134.3 
1 1 1 15 23 52 o 0.7404000      1.609000      135.6762      -47.2  
1 1 1 15 23 53 o 0.9421000      1.423000      ?             ?      
1 1 1 15 23 54 o 3.827000       1.294000      ?             ?      
1 1 1 15 23 55 o -0.2942000     1.408000      ?             ?      
1 1 1 15 23 56 o 2.871000       1.511000      ?             ?      
1 1 1 15 23 57 o -0.5263000     1.339000      ?             ?      
1 1 1 15 23 58 o -0.9162000     1.348000      ?             ?      
1 1 1 15 23 59 o -1.631000      1.454000      ?             ?      
1 1 1 15 23 60 o 0.8842000      1.251000      ?             ?      
1 1 1 15 23 61 o -0.3415000     1.239000      ?             ?      
1 1 1 15 23 62 o -0.3443000     1.275000      ?             ?      
1 1 1 15 23 63 o 1.030000       1.366000      ?             ?      
1 1 1 15 23 64 o 0.1347000      1.362000      ?             ?      
1 1 1 15 23 65 o 2.949000       1.638000      ?             ?      
1 1 1 15 23 66 o -0.5296000     1.455000      ?             ?      
1 1 1 15 23 67 o 1.993000       2.010000      ?             ?      
1 1 1 15 23 68 o -0.8193000     1.469000      ?             ?      
1 1 1 15 23 69 o -0.8527000     1.319000      ?             ?      
1 1 1 15 24 0  o 100.0000       4.417000      1356.286      90.0   
1 1 1 15 24 1  o 23.59000       1.019000      493.2596      -105.8 
1 1 1 15 24 2  o 12.37000       0.8859000     638.0565      -133.8 
1 1 1 15 24 3  o 7.465000       0.8700000     293.5628      -147.0 
1 1 1 15 24 4  o 10.37000       0.8861000     677.8900      -150.5 
1 1 1 15 24 5  o -0.5479000     0.8664000     175.1304      18.2   
1 1 1 15 24 6  o 2.679000       0.9237000     155.9831      15.4   
1 1 1 15 24 7  o 5.617000       1.126000      439.5798      -131.5 
1 1 1 15 24 8  o 13.74000       1.219000      666.9708      173.8  
1 1 1 15 24 9  o 1.884000       1.048000      140.2645      -40.5  
1 1 1 15 24 10 o 2.858000       1.152000      131.3472      -162.8 
1 1 1 15 24 11 o -0.4439000     1.121000      206.5564      178.1  
1 1 1 15 24 12 o 25.09000       1.456000      710.0561      62.5   
1 1 1 15 24 13 o 10.75000       1.419000      562.0550      -175.9 
1 1 1 15 24 14 o 3.175000       0.9933000     325.3660      78.1   
1 1 1 15 24 15 o 5.655000       1.421000      280.2683      149.3  
1 1 1 15 24 16 o 15.02000       1.603000      595.1595      -29.6  
1 1 1 15 24 17 o 8.271000       1.454000      445.8203      -98.8  
1 1 1 15 24 18 o 14.75000       1.480000      449.7428      53.1   
1 1 1 15 24 19 o 0.7101000      1.087000      304.7086      158.8  
1 1 1 15 24 20 o 2.383000       1.005000      253.4338      -91.8  
1 1 1 15 24 21 o 29.30000       1.254000      805.2988      -101.9 
1 1 1 15 24 22 o -1.568000      0.9598000     251.6777      116.1  
1 1 1 15 24 23 o 5.231000       0.9150000     329.9653      -117.3 
1 1 1 15 24 24 o 1.544000       0.8901000     246.3622      -99.6  
1 1 1 15 24 25 o 14.02000       1.181000      653.8964      96.4   
1 1 1 15 24 26 o 7.433000       0.9280000     337.4594      68.7   
1 1 1 15 24 27 o 6.731000       0.9281000     336.5166      160.3  
1 1 1 15 24 28 o 9.030000       0.9754000     440.8358      177.9  
1 1 1 15 24 29 o 13.71000       1.018000      447.6172      46.7   
1 1 1 15 24 30 o 4.855000       0.9607000     336.9478      167.4  
1 1 1 15 24 31 o 8.292000       0.9734000     473.4007      50.9   
1 1 1 15 24 32 o 1.562000       0.9363000     109.8942      -49.8  
1 1 1 15 24 33 o 11.88000       1.042000      461.2520      48.4   
1 1 1 15 24 34 o -0.6520000E-01 1.007000      56.04825      9.6    
1 1 1 15 24 35 o 8.200000       1.229000      451.0669      65.6   
1 1 1 15 24 36 o -0.8042000     1.251000      161.0833      135.8  
1 1 1 15 24 37 f 8.939000       1.292000      338.8248      94.8   
1 1 1 15 24 38 o -0.2865000     1.151000      90.24751      96.1   
1 1 1 15 24 39 o 3.963000       1.100000      252.4802      167.0  
1 1 1 15 24 40 o 0.7636000      1.233000      44.06010      165.6  
1 1 1 15 24 41 o 1.572000       1.388000      187.3890      47.8   
1 1 1 15 24 42 o 8.713000       1.367000      381.4306      -160.0 
1 1 1 15 24 43 o 7.059000       1.228000      418.0179      157.0  
1 1 1 15 24 44 o 7.160000       1.248000      348.7064      36.5   
1 1 1 15 24 45 o 3.237000       1.248000      138.0039      -169.8 
1 1 1 15 24 46 o 2.289000       1.263000      185.2472      -1.3   
1 1 1 15 24 47 o 1.729000       1.285000      175.2990      146.2  
1 1 1 15 24 48 o 1.708000       1.296000      214.2164      87.5   
1 1 1 15 24 49 o 2.856000       1.293000      141.8395      -151.1 
1 1 1 15 24 50 o 3.088000       1.297000      146.2221      -63.4  
1 1 1 15 24 51 o 1.250000       1.426000      193.1193      55.4   
1 1 1 15 24 52 o 1.471000       1.443000      ?             ?      
1 1 1 15 24 53 o 0.6127000      1.275000      ?             ?      
1 1 1 15 24 54 o 1.594000       1.276000      ?             ?      
1 1 1 15 24 55 o 2.150000       1.282000      ?             ?      
1 1 1 15 24 56 o 2.001000       1.386000      ?             ?      
1 1 1 15 24 57 o 1.883000       1.346000      ?             ?      
1 1 1 15 24 58 o 2.426000       1.372000      ?             ?      
1 1 1 15 24 59 o 2.077000       1.494000      ?             ?      
1 1 1 15 24 60 o 0.5035000      1.354000      ?             ?      
1 1 1 15 24 61 o 6.852000       1.421000      ?             ?      
1 1 1 15 24 62 o 2.951000       1.399000      ?             ?      
1 1 1 15 24 63 o 1.065000       1.360000      ?             ?      
1 1 1 15 24 64 o 0.5634000      1.258000      ?             ?      
1 1 1 15 24 65 o 0.2777000      1.591000      ?             ?      
1 1 1 15 24 66 o -1.582000      1.669000      ?             ?      
1 1 1 15 24 67 o 0.9207000      1.321000      ?             ?      
1 1 1 15 24 68 o 0.9041000      1.823000      ?             ?      
1 1 1 15 24 69 o -0.8957000     1.320000      ?             ?      
1 1 1 15 25 1  o 58.59000       2.125000      1035.315      150.1  
1 1 1 15 25 2  o 47.47000       1.354000      707.6296      43.3   
1 1 1 15 25 3  o 23.81000       1.042000      629.0165      -129.7 
1 1 1 15 25 4  o 12.62000       1.350000      593.2168      -62.7  
1 1 1 15 25 5  o 10.45000       0.9357000     420.2256      65.2   
1 1 1 15 25 6  o 3.670000       0.9245000     116.5311      3.9    
1 1 1 15 25 7  o 11.03000       0.9954000     519.7874      -98.5  
1 1 1 15 25 8  o 0.8892000      1.088000      250.9870      135.8  
1 1 1 15 25 9  o 14.33000       1.194000      649.8853      6.7    
1 1 1 15 25 10 o 11.15000       1.346000      814.9036      27.6   
1 1 1 15 25 11 o 10.72000       1.095000      323.3110      151.0  
1 1 1 15 25 12 o 15.91000       1.185000      618.2638      114.2  
1 1 1 15 25 13 o 11.86000       1.407000      539.1340      134.9  
1 1 1 15 25 14 o 11.21000       1.496000      368.8811      145.4  
1 1 1 15 25 15 o 6.001000       1.172000      330.5712      -155.4 
1 1 1 15 25 16 o 4.296000       1.360000      359.4373      -81.5  
1 1 1 15 25 17 o 17.35000       1.561000      559.3163      -109.8 
1 1 1 15 25 18 o 15.49000       1.493000      436.8658      -41.6  
1 1 1 15 25 19 o 2.035000       1.366000      332.0219      83.8   
1 1 1 15 25 20 o 5.904000       1.013000      438.6203      -91.8  
1 1 1 15 25 21 o 1.459000       1.046000      228.5044      151.0  
1 1 1 15 25 22 o 6.046000       0.9994000     378.6645      -3.1   
1 1 1 15 25 23 o 19.04000       1.199000      669.7737      37.4   
1 1 1 15 25 24 o 23.73000       1.136000      733.3586      -140.1 
1 1 1 15 25 25 o 3.690000       0.9488000     275.0483      -161.3 
1 1 1 15 25 26 o 2.851000       0.9083000     378.3776      -68.9  
1 1 1 15 25 27 o 12.51000       0.9787000     458.0563      -72.4  
1 1 1 15 25 28 o 3.498000       0.8980000     257.1136      -157.4 
1 1 1 15 25 29 o -0.2129000     0.9028000     77.74557      -123.6 
1 1 1 15 25 30 o 7.850000       0.9657000     435.7368      133.0  
1 1 1 15 25 31 o 7.732000       0.9757000     482.7548      151.5  
1 1 1 15 25 32 o 1.795000       0.9364000     63.68997      131.6  
1 1 1 15 25 33 o 14.75000       1.105000      542.7509      -88.9  
1 1 1 15 25 34 o 3.100000       1.123000      285.0302      167.0  
1 1 1 15 25 35 o 2.076000       1.197000      322.7818      -76.5  
1 1 1 15 25 36 o 10.35000       1.275000      444.0848      -162.9 
1 1 1 15 25 37 o 1.834000       1.211000      322.5670      -137.1 
1 1 1 15 25 38 o -0.8326000     1.159000      77.05207      -97.7  
1 1 1 15 25 39 o 1.944000       1.193000      155.7997      87.8   
1 1 1 15 25 40 o -1.229000      1.103000      82.29530      -123.1 
1 1 1 15 25 41 o 0.5862000      1.258000      84.28610      -82.8  
1 1 1 15 25 42 o 0.2449000      1.410000      96.53250      160.3  
1 1 1 15 25 43 o 0.3056000E-01  1.329000      113.8446      -128.5 
1 1 1 15 25 44 o 9.574000       1.276000      347.5886      -93.0  
1 1 1 15 25 45 o 6.231000       1.268000      333.8634      83.4   
1 1 1 15 25 46 o 4.903000       1.278000      183.6241      -58.2  
1 1 1 15 25 47 o 8.954000       1.334000      397.5028      105.4  
1 1 1 15 25 48 o 1.454000       1.282000      200.1068      5.9    
1 1 1 15 25 49 o -0.1936000     1.276000      175.9425      -20.9  
1 1 1 15 25 50 o 1.735000       1.421000      224.4567      26.1   
1 1 1 15 25 51 o 5.347000       1.654000      255.9339      -177.6 
1 1 1 15 25 52 o 2.879000       1.444000      ?             ?      
1 1 1 15 25 53 o 2.868000       1.277000      ?             ?      
1 1 1 15 25 54 o -0.4591000     1.239000      ?             ?      
1 1 1 15 25 55 o 0.8011000      1.240000      ?             ?      
1 1 1 15 25 56 o 1.723000       1.366000      ?             ?      
1 1 1 15 25 57 o 1.941000       1.460000      ?             ?      
1 1 1 15 25 58 o -1.072000      1.358000      ?             ?      
1 1 1 15 25 59 o 1.687000       1.473000      ?             ?      
1 1 1 15 25 60 o 5.608000       1.530000      ?             ?      
1 1 1 15 25 61 o 0.3837000      1.471000      ?             ?      
1 1 1 15 25 62 o -0.2257000     1.224000      ?             ?      
1 1 1 15 25 63 o -0.5166000     1.396000      ?             ?      
1 1 1 15 25 64 o 0.8829000      1.619000      ?             ?      
1 1 1 15 25 65 o -0.9398000     1.439000      ?             ?      
1 1 1 15 25 66 o 1.720000       1.454000      ?             ?      
1 1 1 15 25 67 o -2.941000      1.785000      ?             ?      
1 1 1 15 25 68 o 2.757000       1.322000      ?             ?      
1 1 1 15 26 0  o 87.50000       2.783000      1365.354      -90.0  
1 1 1 15 26 1  o 69.79000       1.845000      1230.966      -113.5 
1 1 1 15 26 2  o 5.742000       0.8804000     280.9729      -17.3  
1 1 1 15 26 3  o 10.68000       0.9066000     367.6900      31.6   
1 1 1 15 26 4  o 4.308000       0.9554000     323.4014      -69.0  
1 1 1 15 26 5  o 75.63000       1.935000      1182.242      -10.2  
1 1 1 15 26 6  o 41.52000       1.287000      684.7811      -130.7 
1 1 1 15 26 7  o -0.6334000     0.8935000     91.49805      -48.9  
1 1 1 15 26 8  o 36.08000       1.371000      1128.618      80.0   
1 1 1 15 26 9  o 4.858000       1.077000      280.8728      -114.9 
1 1 1 15 26 10 o 27.13000       1.284000      724.8447      119.4  
1 1 1 15 26 11 o -2.077000      1.033000      119.9209      -151.6 
1 1 1 15 26 12 o 21.35000       1.608000      476.6330      59.2   
1 1 1 15 26 13 o 22.60000       1.485000      817.0257      170.3  
1 1 1 15 26 14 o 9.868000       1.210000      504.4514      28.0   
1 1 1 15 26 15 o 3.480000       1.160000      238.5158      57.9   
1 1 1 15 26 16 o 7.764000       1.391000      332.6441      -22.6  
1 1 1 15 26 17 o 11.34000       1.412000      342.8129      85.8   
1 1 1 15 26 18 o 15.49000       1.350000      569.1586      28.1   
1 1 1 15 26 19 o 2.623000       1.092000      192.9812      -30.9  
1 1 1 15 26 20 o 15.79000       1.242000      799.5351      -103.5 
1 1 1 15 26 21 o 5.231000       1.042000      426.5173      65.1   
1 1 1 15 26 22 o 7.689000       1.044000      558.6842      98.8   
1 1 1 15 26 23 o 11.13000       1.046000      360.0998      -107.9 
1 1 1 15 26 24 o 43.91000       1.511000      869.1862      94.3   
1 1 1 15 26 25 o 33.34000       1.309000      874.1253      78.0   
1 1 1 15 26 26 o 12.01000       0.9858000     321.6114      -74.0  
1 1 1 15 26 27 f 6.385000       0.9609000     396.0827      -142.1 
1 1 1 15 26 28 o 0.5503000      0.9143000     125.5954      35.2   
1 1 1 15 26 29 o 17.03000       1.017000      564.0782      139.2  
1 1 1 15 26 30 o 17.26000       1.042000      524.3138      -97.8  
1 1 1 15 26 31 o 2.329000       0.9332000     85.63907      -15.4  
1 1 1 15 26 32 o 5.389000       0.9726000     345.6453      32.9   
1 1 1 15 26 33 o 8.224000       1.051000      281.8281      114.4  
1 1 1 15 26 34 o 5.089000       1.119000      280.6982      -30.9  
1 1 1 15 26 35 o 4.108000       1.133000      314.8914      63.8   
1 1 1 15 26 36 o 7.776000       1.077000      325.3888      -138.9 
1 1 1 15 26 37 o 1.068000       1.136000      55.64239      128.1  
1 1 1 15 26 38 o 12.96000       1.350000      526.1153      -78.4  
1 1 1 15 26 39 o 0.5988000      1.194000      76.93379      -167.4 
1 1 1 15 26 40 o 2.473000       1.129000      189.2205      -8.3   
1 1 1 15 26 41 o 9.521000       1.335000      458.1512      1.4    
1 1 1 15 26 42 o 7.445000       1.474000      277.9587      -175.6 
1 1 1 15 26 43 o 11.85000       1.467000      499.5919      107.3  
1 1 1 15 26 44 o 12.53000       1.337000      453.6455      79.2   
1 1 1 15 26 45 o 10.69000       1.314000      453.0303      162.1  
1 1 1 15 26 46 o 1.888000       1.260000      192.7981      179.8  
1 1 1 15 26 47 o 13.06000       1.346000      489.8029      101.0  
1 1 1 15 26 48 o 0.2420000      1.263000      51.71679      158.0  
1 1 1 15 26 49 o 1.802000       1.282000      120.6384      101.5  
1 1 1 15 26 50 o 4.528000       1.432000      234.4034      46.6   
1 1 1 15 26 51 o 0.3076000      1.412000      ?             ?      
1 1 1 15 26 52 o 2.190000       1.271000      ?             ?      
1 1 1 15 26 53 o 4.966000       1.274000      ?             ?      
1 1 1 15 26 54 o -0.9496000E-01 1.233000      ?             ?      
1 1 1 15 26 55 o 2.886000       1.232000      ?             ?      
1 1 1 15 26 56 o 2.586000       1.668000      ?             ?      
1 1 1 15 26 57 o -1.622000      1.768000      ?             ?      
1 1 1 15 26 58 o 3.298000       1.655000      ?             ?      
1 1 1 15 26 59 o 3.803000       1.386000      ?             ?      
1 1 1 15 26 60 o 3.046000       1.417000      ?             ?      
1 1 1 15 26 61 o 2.880000       1.473000      ?             ?      
1 1 1 15 26 62 o -2.004000      1.361000      ?             ?      
1 1 1 15 26 63 o 1.718000       1.385000      ?             ?      
1 1 1 15 26 64 o 1.972000       1.408000      ?             ?      
1 1 1 15 26 65 o 0.4926000      1.433000      ?             ?      
1 1 1 15 26 66 o 0.2337000      1.349000      ?             ?      
1 1 1 15 26 67 o 0.9659000E-01  1.297000      ?             ?      
1 1 1 15 26 68 o -0.7729000     1.298000      ?             ?      
1 1 1 15 27 0  o 42.18000       1.726000      699.9520      -90.0  
1 1 1 15 27 1  o 57.99000       1.457000      1133.357      55.2   
1 1 1 15 27 2  o 14.50000       0.9016000     493.1745      47.2   
1 1 1 15 27 3  o 54.38000       1.513000      883.1042      -60.2  
1 1 1 15 27 4  o 8.887000       0.9459000     719.3306      -111.3 
1 1 1 15 27 5  o 48.82000       1.560000      912.7798      57.2   
1 1 1 15 27 6  o 19.69000       1.001000      530.2379      -71.1  
1 1 1 15 27 7  o 2.123000       0.8822000     197.6059      140.8  
1 1 1 15 27 8  o 13.69000       1.106000      587.0151      56.7   
1 1 1 15 27 9  o 7.076000       1.060000      481.7332      82.5   
1 1 1 15 27 10 o 41.83000       1.529000      849.6172      143.7  
1 1 1 15 27 11 o 101.7000       2.421000      1488.313      179.1  
1 1 1 15 27 12 o 2.276000       1.244000      221.9598      -73.5  
1 1 1 15 27 13 o 62.47000       2.078000      1187.241      153.9  
1 1 1 15 27 14 o 105.6000       2.694000      1362.406      164.6  
1 1 1 15 27 15 o 14.80000       1.426000      515.1635      149.1  
1 1 1 15 27 16 o 21.54000       1.484000      612.2147      -146.9 
1 1 1 15 27 17 o 7.080000       1.080000      373.8511      96.4   
1 1 1 15 27 18 o -2.321000      1.042000      176.3200      54.2   
1 1 1 15 27 19 o 60.67000       2.021000      1238.790      156.6  
1 1 1 15 27 20 o 18.25000       1.202000      680.5531      -116.0 
1 1 1 15 27 21 o 3.597000       1.122000      328.8928      -70.1  
1 1 1 15 27 22 o 20.28000       1.086000      833.9365      77.1   
1 1 1 15 27 23 o 6.186000       1.128000      501.1399      152.2  
1 1 1 15 27 24 o 6.023000       1.295000      441.4547      -126.5 
1 1 1 15 27 25 o 2.149000       0.9678000     298.5184      171.6  
1 1 1 15 27 26 o 7.746000       0.9888000     283.9320      -30.6  
1 1 1 15 27 27 o 20.76000       1.152000      531.7763      21.0   
1 1 1 15 27 28 o 20.30000       1.174000      586.2715      -172.9 
1 1 1 15 27 29 o 12.82000       1.060000      353.2397      -94.7  
1 1 1 15 27 30 o 2.081000       0.9275000     125.8688      82.3   
1 1 1 15 27 31 o 11.23000       1.030000      413.4975      18.7   
1 1 1 15 27 32 o 43.14000       1.553000      921.8769      -80.7  
1 1 1 15 27 33 o 12.72000       1.233000      485.3141      156.5  
1 1 1 15 27 34 o 4.619000       1.165000      283.7030      126.7  
1 1 1 15 27 35 o 0.9916000      1.052000      84.75024      158.1  
1 1 1 15 27 36 o 16.62000       1.233000      574.9719      -111.1 
1 1 1 15 27 37 o 9.138000       1.191000      564.1894      9.5    
1 1 1 15 27 38 o 8.220000       1.300000      303.2472      164.1  
1 1 1 15 27 39 o 25.56000       1.467000      747.4881      26.9   
1 1 1 15 27 40 o 1.346000       1.250000      107.0434      157.6  
1 1 1 15 27 41 o 8.898000       1.209000      468.6256      1.2    
1 1 1 15 27 42 o -0.8155000E-01 1.321000      224.7083      -161.2 
1 1 1 15 27 43 o 7.172000       1.530000      224.7034      150.4  
1 1 1 15 27 44 o 13.67000       1.488000      504.8487      -112.6 
1 1 1 15 27 45 o 11.07000       1.309000      403.5768      105.8  
1 1 1 15 27 46 o 7.449000       1.294000      235.5594      -122.5 
1 1 1 15 27 47 o 5.721000       1.295000      367.5197      95.6   
1 1 1 15 27 48 o -0.1371000     1.249000      111.4925      47.0   
1 1 1 15 27 49 o 4.685000       1.409000      295.8956      -52.7  
1 1 1 15 27 50 o -0.6998000     1.519000      ?             ?      
1 1 1 15 27 51 o 1.373000       1.389000      ?             ?      
1 1 1 15 27 52 o 6.506000       1.292000      ?             ?      
1 1 1 15 27 53 o 3.222000       1.246000      ?             ?      
1 1 1 15 27 54 o 4.047000       1.374000      ?             ?      
1 1 1 15 27 55 o -0.5753000     1.336000      ?             ?      
1 1 1 15 27 56 o 4.116000       1.361000      ?             ?      
1 1 1 15 27 57 o 0.5746000      1.487000      ?             ?      
1 1 1 15 27 58 o 1.445000       1.476000      ?             ?      
1 1 1 15 27 59 o -0.4975000     1.325000      ?             ?      
1 1 1 15 27 60 o 1.569000       1.508000      ?             ?      
1 1 1 15 27 61 o 7.902000       1.855000      ?             ?      
1 1 1 15 27 62 o -0.1815000     1.338000      ?             ?      
1 1 1 15 27 63 o 1.566000       1.371000      ?             ?      
1 1 1 15 27 64 o 1.165000       1.527000      ?             ?      
1 1 1 15 27 65 o 3.455000       1.975000      ?             ?      
1 1 1 15 27 66 o -1.091000      1.278000      ?             ?      
1 1 1 15 27 67 o 1.879000       1.304000      ?             ?      
1 1 1 15 28 0  o -1.174000      1.094000      598.3461      -90.0  
1 1 1 15 28 1  o 21.42000       0.9866000     597.4009      -91.0  
1 1 1 15 28 2  o 19.96000       0.9400000     580.5276      74.8   
1 1 1 15 28 3  o 13.54000       0.8880000     503.5355      -6.2   
1 1 1 15 28 4  o 6.163000       0.8592000     328.8102      127.8  
1 1 1 15 28 5  o 25.38000       1.039000      628.5334      30.4   
1 1 1 15 28 6  o 39.27000       1.230000      544.7681      74.2   
1 1 1 15 28 7  o 7.180000       0.9154000     283.1642      -104.7 
1 1 1 15 28 8  o 21.04000       1.194000      581.4374      81.9   
1 1 1 15 28 9  o 7.539000       1.080000      159.7110      40.2   
1 1 1 15 28 10 o 4.307000       1.059000      215.6270      -136.6 
1 1 1 15 28 11 o 1.776000       1.317000      358.9614      -51.0  
1 1 1 15 28 12 o 2.603000       1.324000      151.4453      -19.9  
1 1 1 15 28 13 o 4.462000       1.072000      471.7155      170.4  
1 1 1 15 28 14 o 4.528000       1.079000      94.57794      104.5  
1 1 1 15 28 15 o 2.499000       1.307000      353.9031      -117.2 
1 1 1 15 28 16 o 33.63000       1.618000      740.9750      160.9  
1 1 1 15 28 17 o 1.387000       1.026000      171.7922      -30.5  
1 1 1 15 28 18 o 24.00000       1.203000      662.3749      -88.6  
1 1 1 15 28 19 o -1.983000      1.039000      179.3824      -177.5 
1 1 1 15 28 20 o 6.801000       1.056000      382.5547      -165.0 
1 1 1 15 28 21 o 54.47000       1.642000      1326.517      77.2   
1 1 1 15 28 22 o -0.9882000     1.057000      144.7210      -99.0  
1 1 1 15 28 23 o 17.14000       1.067000      545.7875      164.8  
1 1 1 15 28 24 o 31.59000       1.364000      684.5383      45.0   
1 1 1 15 28 25 o 4.585000       0.8976000     262.0269      146.3  
1 1 1 15 28 26 o 1.899000       0.9134000     325.9153      -62.6  
1 1 1 15 28 27 f 9.691000       1.007000      405.2043      48.0   
1 1 1 15 28 28 o 19.64000       1.150000      767.1865      51.1   
1 1 1 15 28 29 o -0.8518000E-01 0.9635000     147.3365      148.1  
1 1 1 15 28 30 o 26.12000       1.247000      807.7506      -55.2  
1 1 1 15 28 31 o 7.255000       0.9569000     338.7890      104.6  
1 1 1 15 28 32 o 12.38000       1.117000      442.8896      -178.2 
1 1 1 15 28 33 o 14.80000       1.329000      697.0438      -121.9 
1 1 1 15 28 34 o 4.419000       1.127000      470.8017      -69.5  
1 1 1 15 28 35 o 6.691000       1.059000      378.7195      -5.8   
1 1 1 15 28 36 o 7.110000       1.075000      307.7591      122.6  
1 1 1 15 28 37 o 18.37000       1.311000      624.9006      78.3   
1 1 1 15 28 38 o 4.989000       1.207000      342.7125      -168.5 
1 1 1 15 28 39 o 9.813000       1.415000      415.7809      -45.8  
1 1 1 15 28 40 o 8.707000       1.314000      380.3994      57.3   
1 1 1 15 28 41 o 2.587000       1.178000      238.3578      -73.2  
1 1 1 15 28 42 o 57.54000       1.906000      1063.930      114.0  
1 1 1 15 28 43 o 4.594000       1.386000      228.8874      37.5   
1 1 1 15 28 44 o 2.968000       1.516000      151.6554      -151.8 
1 1 1 15 28 45 o 3.559000       1.420000      330.0210      -97.4  
1 1 1 15 28 46 o 10.24000       1.318000      390.2880      132.3  
1 1 1 15 28 47 o 12.74000       1.339000      476.9072      -170.7 
1 1 1 15 28 48 o 3.686000       1.320000      298.2592      10.0   
1 1 1 15 28 49 o 6.030000       1.427000      368.6786      21.6   
1 1 1 15 28 50 o 1.504000       1.404000      ?             ?      
1 1 1 15 28 51 o 26.05000       1.492000      ?             ?      
1 1 1 15 28 52 o 4.402000       1.408000      ?             ?      
1 1 1 15 28 53 o 1.475000       1.388000      ?             ?      
1 1 1 15 28 54 o 10.61000       1.465000      ?             ?      
1 1 1 15 28 55 o 3.799000       1.375000      ?             ?      
1 1 1 15 28 56 o 0.3181000E-01  1.207000      ?             ?      
1 1 1 15 28 57 o 1.123000       1.459000      ?             ?      
1 1 1 15 28 58 o 1.035000       1.473000      ?             ?      
1 1 1 15 28 59 o -0.8159000     1.449000      ?             ?      
1 1 1 15 28 60 o 3.909000       1.252000      ?             ?      
1 1 1 15 28 61 o 0.1278000      1.358000      ?             ?      
1 1 1 15 28 62 o -0.1296000     1.356000      ?             ?      
1 1 1 15 28 63 o 2.414000       1.403000      ?             ?      
1 1 1 15 28 64 o -2.699000      1.407000      ?             ?      
1 1 1 15 28 65 o 0.9900000      1.904000      ?             ?      
1 1 1 15 28 66 o 2.873000       1.309000      ?             ?      
1 1 1 15 28 67 o 0.8915000      1.294000      ?             ?      
1 1 1 15 29 0  o 11.59000       1.171000      143.8076      -90.0  
1 1 1 15 29 1  o 11.50000       0.8509000     670.5385      -31.4  
1 1 1 15 29 2  o 52.82000       1.420000      1123.089      -52.1  
1 1 1 15 29 3  o 19.37000       0.9395000     777.1313      -88.8  
1 1 1 15 29 4  o 34.99000       1.146000      986.7065      -151.7 
1 1 1 15 29 5  o 57.90000       1.621000      1153.995      -28.3  
1 1 1 15 29 6  o 34.39000       1.167000      990.0694      -158.9 
1 1 1 15 29 7  o 50.19000       1.401000      1143.702      127.9  
1 1 1 15 29 8  o 4.225000       0.8985000     139.9347      -25.7  
1 1 1 15 29 9  o 10.41000       1.095000      409.0601      108.5  
1 1 1 15 29 10 o 33.58000       1.589000      737.8924      -146.3 
1 1 1 15 29 11 o 11.18000       1.373000      525.9539      13.6   
1 1 1 15 29 12 o 15.44000       1.421000      631.3721      139.8  
1 1 1 15 29 13 o 82.58000       2.481000      1335.282      165.7  
1 1 1 15 29 14 o 48.13000       1.743000      958.5651      -173.8 
1 1 1 15 29 15 o 16.80000       1.422000      613.7522      -143.0 
1 1 1 15 29 16 o 12.19000       1.112000      524.0276      -45.0  
1 1 1 15 29 17 o 23.60000       1.221000      925.4670      -69.9  
1 1 1 15 29 18 o 25.31000       1.352000      816.9449      -156.4 
1 1 1 15 29 19 o 27.07000       1.256000      652.7855      143.8  
1 1 1 15 29 20 o 8.291000       1.078000      412.7354      90.2   
1 1 1 15 29 21 o 22.88000       1.210000      730.4468      -96.7  
1 1 1 15 29 22 o 43.43000       1.448000      810.9619      149.3  
1 1 1 15 29 23 o 6.885000       1.074000      390.1735      150.4  
1 1 1 15 29 24 o 5.273000       0.9130000     457.2791      -108.6 
1 1 1 15 29 25 o 5.768000       0.9075000     311.4738      -100.9 
1 1 1 15 29 26 o 12.54000       0.9902000     359.0770      123.2  
1 1 1 15 29 27 o 8.513000       1.016000      474.0903      154.3  
1 1 1 15 29 28 o 6.886000       0.9354000     519.6477      -118.5 
1 1 1 15 29 29 o 23.17000       1.198000      662.2173      -67.6  
1 1 1 15 29 30 o 2.856000       0.9546000     354.0737      93.4   
1 1 1 15 29 31 o 26.65000       1.512000      812.2601      -49.7  
1 1 1 15 29 32 o 31.18000       1.529000      860.4301      -29.5  
1 1 1 15 29 33 o 43.74000       1.783000      973.9587      86.0   
1 1 1 15 29 34 o 6.415000       1.102000      215.3861      -14.9  
1 1 1 15 29 35 o 23.40000       1.235000      669.7605      -139.0 
1 1 1 15 29 36 o 0.3229000      1.105000      101.8657      -135.5 
1 1 1 15 29 37 o 5.074000       1.165000      366.1618      28.7   
1 1 1 15 29 38 o 2.013000       1.231000      172.4535      7.1    
1 1 1 15 29 39 o 26.07000       1.616000      809.1060      30.7   
1 1 1 15 29 40 o 29.42000       1.583000      747.1508      153.6  
1 1 1 15 29 41 o 8.003000       1.254000      403.4555      -117.5 
1 1 1 15 29 42 o 9.245000       1.303000      397.4903      157.8  
1 1 1 15 29 43 o 0.1007000      1.381000      129.1311      -82.0  
1 1 1 15 29 44 o 8.867000       1.587000      531.6455      -76.2  
1 1 1 15 29 45 o 30.77000       1.714000      803.4859      -173.7 
1 1 1 15 29 46 o -0.2491000     1.254000      222.3988      -144.7 
1 1 1 15 29 47 o 8.671000       1.298000      566.1951      59.5   
1 1 1 15 29 48 o 2.115000       1.385000      116.4569      155.3  
1 1 1 15 29 49 o 10.95000       1.663000      ?             ?      
1 1 1 15 29 50 o 25.69000       1.808000      ?             ?      
1 1 1 15 29 51 o 7.313000       1.444000      ?             ?      
1 1 1 15 29 52 o 4.370000       1.412000      ?             ?      
1 1 1 15 29 53 o 19.40000       1.553000      ?             ?      
1 1 1 15 29 54 o 8.529000       1.286000      ?             ?      
1 1 1 15 29 55 o 4.001000       1.326000      ?             ?      
1 1 1 15 29 56 o 7.387000       1.382000      ?             ?      
1 1 1 15 29 57 o 2.403000       1.371000      ?             ?      
1 1 1 15 29 58 o -2.100000      1.354000      ?             ?      
1 1 1 15 29 59 o 3.757000       1.457000      ?             ?      
1 1 1 15 29 60 o -0.5173000     1.316000      ?             ?      
1 1 1 15 29 61 o 2.514000       1.342000      ?             ?      
1 1 1 15 29 62 o 2.724000       1.606000      ?             ?      
1 1 1 15 29 63 o 0.6389000      1.724000      ?             ?      
1 1 1 15 29 64 o 3.695000       1.432000      ?             ?      
1 1 1 15 29 65 o 1.901000       1.278000      ?             ?      
1 1 1 15 29 66 o 2.257000       1.301000      ?             ?      
1 1 1 15 30 0  o 29.62000       1.497000      803.2424      -90.0  
1 1 1 15 30 1  o 11.87000       0.8501000     417.5569      -111.4 
1 1 1 15 30 2  o 20.88000       1.004000      926.1037      42.4   
1 1 1 15 30 3  o 9.910000       0.8282000     368.6073      33.2   
1 1 1 15 30 4  o 7.844000       0.8258000     241.9809      -19.1  
1 1 1 15 30 5  o 18.11000       0.9290000     375.5667      -23.9  
1 1 1 15 30 6  o 23.18000       0.9905000     509.3117      99.5   
1 1 1 15 30 7  o 1.347000       0.8503000     214.6981      -44.4  
1 1 1 15 30 8  o 7.348000       0.9098000     542.3665      148.0  
1 1 1 15 30 9  o 50.83000       1.561000      1013.834      42.2   
1 1 1 15 30 10 o 18.93000       1.249000      632.6761      87.9   
1 1 1 15 30 11 o 90.32000       2.874000      1481.739      -91.9  
1 1 1 15 30 12 o 13.83000       1.224000      399.6426      -79.5  
1 1 1 15 30 13 o 59.88000       2.003000      1155.322      -47.5  
1 1 1 15 30 14 o -0.8247000     1.325000      37.00552      -40.7  
1 1 1 15 30 15 o 12.04000       1.377000      441.3382      -123.0 
1 1 1 15 30 16 f 5.320000       1.059000      76.24793      -155.6 
1 1 1 15 30 17 o 4.536000       1.073000      390.9617      78.6   
1 1 1 15 30 18 o 24.05000       1.284000      720.9736      154.7  
1 1 1 15 30 19 o 34.81000       1.562000      966.5949      -127.5 
1 1 1 15 30 20 o 69.07000       1.922000      1220.537      -16.6  
1 1 1 15 30 21 o -0.3135000     1.014000      171.1190      -66.6  
1 1 1 15 30 22 o 8.820000       1.054000      713.7067      -72.2  
1 1 1 15 30 23 o 8.012000       1.016000      321.6972      173.6  
1 1 1 15 30 24 o 17.76000       1.169000      592.9208      22.7   
1 1 1 15 30 25 o 3.250000       0.8811000     431.9112      0.5    
1 1 1 15 30 26 o -1.038000      0.8731000     114.8418      127.2  
1 1 1 15 30 27 o 0.4870000      0.8806000     162.5289      65.7   
1 1 1 15 30 28 o 49.79000       1.635000      1002.493      -2.2   
1 1 1 15 30 29 o -2.132000      0.8971000     141.9842      -163.9 
1 1 1 15 30 30 o 2.917000       0.9300000     188.7935      -136.3 
1 1 1 15 30 31 o 20.87000       1.200000      723.7973      105.7  
1 1 1 15 30 32 o 7.201000       1.056000      434.2388      -89.1  
1 1 1 15 30 33 o 2.397000       1.061000      152.8017      -164.1 
1 1 1 15 30 34 o 10.09000       1.115000      625.4416      17.5   
1 1 1 15 30 35 o 5.094000       1.077000      199.7738      107.3  
1 1 1 15 30 36 o 9.257000       1.199000      410.9194      55.3   
1 1 1 15 30 37 o 15.67000       1.289000      509.2668      141.9  
1 1 1 15 30 38 f 9.019000       1.301000      390.7343      -131.5 
1 1 1 15 30 39 o 10.11000       1.386000      417.4921      -68.8  
1 1 1 15 30 40 o -0.1769000E-01 1.501000      97.97115      105.0  
1 1 1 15 30 41 f 0.7199000      1.356000      26.13516      135.7  
1 1 1 15 30 43 o 32.56000       1.532000      937.1635      -55.7  
1 1 1 15 30 44 o 6.759000       1.410000      467.7124      -106.0 
1 1 1 15 30 45 o 0.9643000E-02  1.532000      122.4255      -157.6 
1 1 1 15 30 46 o 14.75000       1.512000      539.9898      -123.6 
1 1 1 15 30 47 o 6.540000       1.372000      439.5976      -146.6 
1 1 1 15 30 48 o 15.24000       1.822000      ?             ?      
1 1 1 15 30 49 o 18.70000       1.588000      ?             ?      
1 1 1 15 30 50 o 3.065000       1.403000      ?             ?      
1 1 1 15 30 51 o 0.4879000      1.228000      ?             ?      
1 1 1 15 30 52 o 26.35000       1.602000      ?             ?      
1 1 1 15 30 53 o 5.282000       1.349000      ?             ?      
1 1 1 15 30 54 o -0.1550000     1.333000      ?             ?      
1 1 1 15 30 55 o 2.696000       1.212000      ?             ?      
1 1 1 15 30 56 o 5.471000       1.233000      ?             ?      
1 1 1 15 30 57 o 12.84000       1.311000      ?             ?      
1 1 1 15 30 58 o 1.132000       1.343000      ?             ?      
1 1 1 15 30 59 o 0.1450000      1.446000      ?             ?      
1 1 1 15 30 60 o 5.241000       1.355000      ?             ?      
1 1 1 15 30 61 f 1.004000       1.219000      ?             ?      
1 1 1 15 30 62 o 2.087000       1.619000      ?             ?      
1 1 1 15 30 63 o 4.218000       1.844000      ?             ?      
1 1 1 15 30 64 o 3.991000       1.876000      ?             ?      
1 1 1 15 30 65 o 4.120000       1.309000      ?             ?      
1 1 1 15 30 66 o -1.281000      1.506000      ?             ?      
1 1 1 15 31 0  o 44.33000       1.799000      1037.169      -90.0  
1 1 1 15 31 1  o 20.08000       0.9204000     692.0200      -39.7  
1 1 1 15 31 2  o -0.8397000     0.7570000     29.45431      66.4   
1 1 1 15 31 3  o 23.38000       0.9567000     649.4790      -16.6  
1 1 1 15 31 4  o 9.540000       0.8286000     587.9000      -173.0 
1 1 1 15 31 5  o 27.73000       1.037000      717.8354      -82.6  
1 1 1 15 31 6  o 15.22000       0.9095000     634.2554      114.7  
1 1 1 15 31 7  o 31.02000       1.137000      668.9971      -145.1 
1 1 1 15 31 8  o 9.404000       0.9104000     624.9877      33.0   
1 1 1 15 31 9  o 3.992000       1.221000      345.6895      -6.8   
1 1 1 15 31 10 o 1.087000       1.233000      196.7411      140.5  
1 1 1 15 31 11 o 17.74000       1.509000      784.6451      17.5   
1 1 1 15 31 12 o 15.61000       1.273000      555.7236      39.4   
1 1 1 15 31 13 o -1.724000      1.295000      226.0229      -159.1 
1 1 1 15 31 14 o 6.813000       1.318000      225.6391      -5.1   
1 1 1 15 31 15 o -0.9598000     1.123000      147.9544      -179.1 
1 1 1 15 31 16 o 25.21000       1.274000      845.8596      -66.2  
1 1 1 15 31 17 o 62.59000       1.818000      813.9156      -48.0  
1 1 1 15 31 18 o 30.39000       1.356000      683.9403      48.1   
1 1 1 15 31 19 o 30.72000       1.365000      850.5723      48.4   
1 1 1 15 31 20 o 27.16000       1.454000      647.3623      4.4    
1 1 1 15 31 21 o 4.480000       1.016000      297.5550      -52.2  
1 1 1 15 31 22 o 22.69000       1.174000      640.4155      -120.0 
1 1 1 15 31 23 o 8.456000       1.026000      406.6943      113.3  
1 1 1 15 31 24 o 6.367000       0.9879000     308.1104      -13.3  
1 1 1 15 31 25 f 6.208000       1.044000      319.2846      -111.1 
1 1 1 15 31 26 o 1.772000       0.8544000     340.8304      147.8  
1 1 1 15 31 27 o 3.083000       0.8634000     232.6370      -49.3  
1 1 1 15 31 28 o 7.300000       0.9628000     371.8979      -79.4  
1 1 1 15 31 29 o 3.508000       0.8676000     291.0470      -162.0 
1 1 1 15 31 30 o 3.596000       0.9075000     319.3774      -97.8  
1 1 1 15 31 31 o 39.97000       1.781000      875.1139      -17.5  
1 1 1 15 31 32 o -2.166000      1.013000      121.3457      145.6  
1 1 1 15 31 33 o 14.51000       1.310000      697.7588      109.0  
1 1 1 15 31 34 o 2.702000       0.9638000     342.1669      -114.6 
1 1 1 15 31 35 o 29.63000       1.488000      768.8027      101.4  
1 1 1 15 31 36 o 16.02000       1.255000      639.6991      -66.3  
1 1 1 15 31 37 o 18.78000       1.305000      635.2033      -13.8  
1 1 1 15 31 38 o 1.144000       1.152000      244.1190      70.1   
1 1 1 15 31 39 o -1.535000      1.381000      79.69032      -85.4  
1 1 1 15 31 40 o 2.152000       1.525000      210.6775      170.5  
1 1 1 15 31 41 o 5.742000       1.370000      231.9057      -87.8  
1 1 1 15 31 42 o 0.6026000      1.466000      310.3403      76.4   
1 1 1 15 31 43 o 10.74000       1.366000      492.5214      -143.4 
1 1 1 15 31 44 o 6.073000       1.269000      287.9933      -171.6 
1 1 1 15 31 45 o 3.563000       1.388000      218.4426      -108.5 
1 1 1 15 31 46 o 11.02000       1.627000      598.5675      -81.8  
1 1 1 15 31 47 o 18.78000       1.775000      ?             ?      
1 1 1 15 31 48 o 4.443000       1.922000      ?             ?      
1 1 1 15 31 49 o -1.570000      1.268000      ?             ?      
1 1 1 15 31 50 o 12.22000       1.417000      ?             ?      
1 1 1 15 31 51 o 2.532000       1.320000      ?             ?      
1 1 1 15 31 52 o 2.170000       1.333000      ?             ?      
1 1 1 15 31 53 o 10.09000       1.271000      ?             ?      
1 1 1 15 31 54 o 0.7268000      1.181000      ?             ?      
1 1 1 15 31 55 o 0.6447000E-01  1.165000      ?             ?      
1 1 1 15 31 56 o -0.1163000     1.185000      ?             ?      
1 1 1 15 31 57 o 4.838000       1.245000      ?             ?      
1 1 1 15 31 58 o 3.379000       1.242000      ?             ?      
1 1 1 15 31 59 o 1.632000       1.352000      ?             ?      
1 1 1 15 31 60 o 0.4377000      1.460000      ?             ?      
1 1 1 15 31 61 o -1.633000      1.399000      ?             ?      
1 1 1 15 31 62 o 3.878000       2.065000      ?             ?      
1 1 1 15 31 63 o -0.3653000     2.423000      ?             ?      
1 1 1 15 31 64 o 0.2550000      1.411000      ?             ?      
1 1 1 15 31 65 o 1.737000       1.278000      ?             ?      
1 1 1 15 32 0  f 0.1617000      1.052000      176.5227      90.0   
1 1 1 15 32 1  o 9.467000       0.8132000     471.2278      -164.9 
1 1 1 15 32 2  o 9.527000       0.8122000     462.8345      5.5    
1 1 1 15 32 3  o 25.01000       0.9776000     844.4086      38.4   
1 1 1 15 32 4  o 2.607000       0.7899000     230.9451      160.7  
1 1 1 15 32 5  o 6.738000       0.8250000     484.8136      176.1  
1 1 1 15 32 6  o 7.378000       0.8392000     557.6092      118.4  
1 1 1 15 32 7  o 2.652000       0.9595000     166.5755      153.0  
1 1 1 15 32 8  o 11.13000       0.9167000     274.0379      -3.1   
1 1 1 15 32 9  o 34.49000       1.355000      873.7489      -6.6   
1 1 1 15 32 10 o 9.505000       1.278000      460.5986      105.0  
1 1 1 15 32 11 o 10.65000       1.169000      241.2087      -37.2  
1 1 1 15 32 12 o 0.5962000      1.010000      140.9460      32.2   
1 1 1 15 32 13 o 5.911000       1.327000      335.7736      -114.8 
1 1 1 15 32 14 o 1.296000       1.305000      106.3798      -95.7  
1 1 1 15 32 15 o 23.94000       1.319000      768.3289      -58.0  
1 1 1 15 32 16 o 25.88000       1.308000      735.1775      95.1   
1 1 1 15 32 17 o 5.665000       1.065000      369.5898      122.7  
1 1 1 15 32 18 o 26.52000       1.277000      835.7168      137.8  
1 1 1 15 32 19 o 33.85000       1.391000      762.8146      -105.0 
1 1 1 15 32 20 o 8.131000       1.079000      452.2846      -6.0   
1 1 1 15 32 21 o 9.069000       1.061000      264.7442      -39.5  
1 1 1 15 32 22 o 5.504000       1.016000      315.6818      -112.9 
1 1 1 15 32 23 f 0.9626000      0.9872000     90.62019      138.7  
1 1 1 15 32 24 o 4.092000       1.004000      256.6919      -179.7 
1 1 1 15 32 25 o 20.60000       1.212000      782.3377      -41.8  
1 1 1 15 32 26 o 1.400000       1.031000      207.7449      80.3   
1 1 1 15 32 27 o 3.292000       0.8668000     286.0835      -113.5 
1 1 1 15 32 28 o 12.66000       0.9248000     626.2749      -9.2   
1 1 1 15 32 29 o -0.3236000     0.8587000     94.24335      129.7  
1 1 1 15 32 30 o 4.707000       0.9504000     418.7028      158.1  
1 1 1 15 32 31 o 1.327000       0.9228000     107.8522      -49.8  
1 1 1 15 32 32 o 9.596000       1.158000      587.9213      -133.9 
1 1 1 15 32 33 o 20.44000       1.089000      635.2523      -159.4 
1 1 1 15 32 34 o 13.41000       1.046000      597.6263      100.8  
1 1 1 15 32 35 o 27.47000       1.519000      656.9728      19.6   
1 1 1 15 32 36 o 2.386000       1.069000      312.6064      89.2   
1 1 1 15 32 37 o 2.672000       1.116000      180.9715      -138.6 
1 1 1 15 32 38 o 0.7126000      1.131000      180.4823      -143.6 
1 1 1 15 32 39 o 2.237000       1.353000      305.0747      157.3  
1 1 1 15 32 40 o 18.51000       1.567000      681.7162      48.3   
1 1 1 15 32 41 o 6.052000       1.472000      334.6147      91.7   
1 1 1 15 32 42 o 5.168000       1.393000      294.0291      -41.9  
1 1 1 15 32 43 o 23.74000       1.782000      700.2877      -81.0  
1 1 1 15 32 44 o 8.850000       1.409000      415.3723      -125.8 
1 1 1 15 32 45 o 9.394000       1.553000      426.1731      -79.3  
1 1 1 15 32 46 o 14.65000       1.880000      ?             ?      
1 1 1 15 32 47 o -2.174000      1.633000      ?             ?      
1 1 1 15 32 48 o 12.66000       1.622000      ?             ?      
1 1 1 15 32 49 o 0.4433000      1.305000      ?             ?      
1 1 1 15 32 50 o 4.103000       1.335000      ?             ?      
1 1 1 15 32 51 o 6.465000       1.214000      ?             ?      
1 1 1 15 32 52 o 9.235000       1.214000      ?             ?      
1 1 1 15 32 53 o 0.9559000      1.175000      ?             ?      
1 1 1 15 32 54 o 1.126000       1.164000      ?             ?      
1 1 1 15 32 55 f 14.26000       1.281000      ?             ?      
1 1 1 15 32 56 o -0.1220000     1.185000      ?             ?      
1 1 1 15 32 57 f 14.30000       1.332000      ?             ?      
1 1 1 15 32 58 o 3.936000       1.237000      ?             ?      
1 1 1 15 32 59 o 1.347000       1.348000      ?             ?      
1 1 1 15 32 60 o 5.055000       1.514000      ?             ?      
1 1 1 15 32 62 o -0.4225000     1.389000      ?             ?      
1 1 1 15 32 63 o 1.468000       1.481000      ?             ?      
1 1 1 15 32 64 o -0.3050000E-01 1.549000      ?             ?      
1 1 1 15 33 0  o 15.80000       1.262000      315.9668      -90.0  
1 1 1 15 33 1  o 21.62000       0.9655000     885.0120      64.6   
1 1 1 15 33 2  o 5.793000       0.8055000     338.6541      -12.2  
1 1 1 15 33 3  o 18.83000       0.9266000     837.3010      -64.4  
1 1 1 15 33 4  o 7.728000       0.8247000     387.8659      133.3  
1 1 1 15 33 5  o 4.471000       0.8174000     604.0211      -61.7  
1 1 1 15 33 6  f 28.94000       1.069000      957.5832      107.4  
1 1 1 15 33 7  o 4.491000       0.8324000     366.7683      -138.9 
1 1 1 15 33 8  o 23.15000       1.264000      587.3628      48.3   
1 1 1 15 33 9  o 30.64000       1.459000      811.7801      95.5   
1 1 1 15 33 10 o 5.387000       1.036000      309.8948      -38.5  
1 1 1 15 33 11 o 3.405000       1.030000      276.9304      -23.7  
1 1 1 15 33 12 o 3.149000       1.070000      389.0253      125.6  
1 1 1 15 33 13 o 10.02000       1.365000      292.1261      96.6   
1 1 1 15 33 14 o 8.536000       1.097000      433.0288      101.1  
1 1 1 15 33 15 o 16.08000       1.234000      561.0035      53.6   
1 1 1 15 33 16 o 10.95000       1.180000      405.0595      -39.9  
1 1 1 15 33 17 o 6.171000       1.031000      215.1065      -126.2 
1 1 1 15 33 18 o 22.58000       1.341000      510.7194      27.0   
1 1 1 15 33 19 o 3.863000       1.050000      145.1963      -68.9  
1 1 1 15 33 20 o 25.22000       1.401000      794.3782      4.6    
1 1 1 15 33 21 o 4.441000       1.047000      374.6874      -3.4   
1 1 1 15 33 22 o 2.081000       1.019000      240.7136      0.7    
1 1 1 15 33 23 o 13.10000       1.088000      604.1432      53.5   
1 1 1 15 33 24 o 3.553000       0.9769000     287.5878      30.6   
1 1 1 15 33 25 o 13.63000       1.157000      650.4593      -33.8  
1 1 1 15 33 26 o 44.93000       1.557000      907.5743      24.1   
1 1 1 15 33 27 o 7.269000       1.091000      404.5632      123.2  
1 1 1 15 33 28 o 13.93000       0.9811000     536.1019      -90.7  
1 1 1 15 33 29 o 6.165000       0.9205000     347.0126      -24.2  
1 1 1 15 33 30 o 10.10000       1.018000      477.4529      16.5   
1 1 1 15 33 31 o 26.56000       1.532000      860.7054      -54.8  
1 1 1 15 33 32 o 1.234000       0.9189000     49.74092      -110.4 
1 1 1 15 33 33 o 3.312000       0.9203000     377.5056      102.8  
1 1 1 15 33 34 o 6.201000       0.9783000     333.8692      -23.0  
1 1 1 15 33 35 o 3.323000       0.9820000     313.7579      -172.5 
1 1 1 15 33 36 o 19.31000       1.318000      679.1506      -8.8   
1 1 1 15 33 37 o 6.962000       1.060000      408.5511      -31.8  
1 1 1 15 33 38 o 2.543000       1.185000      117.9370      88.5   
1 1 1 15 33 39 o 4.612000       1.218000      226.0744      -86.5  
1 1 1 15 33 40 o 47.78000       1.897000      981.4028      -24.0  
1 1 1 15 33 41 o 5.113000       1.797000      299.5615      54.5   
1 1 1 15 33 42 o -0.2505000     1.504000      100.4498      29.4   
1 1 1 15 33 43 o 5.199000       1.348000      220.6452      -62.5  
1 1 1 15 33 44 o 3.380000       1.358000      300.6558      -29.0  
1 1 1 15 33 45 o 4.929000       1.541000      ?             ?      
1 1 1 15 33 46 o -5.493000      2.090000      ?             ?      
1 1 1 15 33 47 o 1.444000       2.113000      ?             ?      
1 1 1 15 33 48 o -0.9504000     2.210000      ?             ?      
1 1 1 15 33 49 o 7.229000       1.283000      ?             ?      
1 1 1 15 33 50 o 3.071000       1.249000      ?             ?      
1 1 1 15 33 51 o 5.288000       1.167000      ?             ?      
1 1 1 15 33 52 o -1.472000      1.146000      ?             ?      
1 1 1 15 33 53 o 7.122000       1.207000      ?             ?      
1 1 1 15 33 54 o 2.173000       1.167000      ?             ?      
1 1 1 15 33 55 o 6.321000       1.193000      ?             ?      
1 1 1 15 33 56 o 4.928000       1.196000      ?             ?      
1 1 1 15 33 58 o 0.4871000      1.184000      ?             ?      
1 1 1 15 33 59 o 0.6920000      1.196000      ?             ?      
1 1 1 15 33 60 o 0.6160000      1.532000      ?             ?      
1 1 1 15 33 61 o -0.9881000     2.349000      ?             ?      
1 1 1 15 33 62 o 1.198000       1.568000      ?             ?      
1 1 1 15 33 63 o 2.611000       1.418000      ?             ?      
1 1 1 15 33 64 o 0.4806000      1.560000      ?             ?      
1 1 1 15 34 0  o 0.8758000E-01  1.062000      273.4168      90.0   
1 1 1 15 34 1  o 1.773000       0.7817000     163.2886      85.1   
1 1 1 15 34 2  o 9.182000       0.8306000     515.7371      119.1  
1 1 1 15 34 3  o 38.78000       1.334000      918.6893      61.5   
1 1 1 15 34 4  o 18.38000       0.9331000     532.5506      -30.9  
1 1 1 15 34 5  o 5.458000       0.8139000     315.9253      171.1  
1 1 1 15 34 6  o 25.62000       1.026000      705.8359      81.8   
1 1 1 15 34 7  o 14.52000       1.087000      384.8815      146.8  
1 1 1 15 34 8  o 45.74000       1.502000      893.4001      -152.7 
1 1 1 15 34 9  o 3.906000       1.245000      461.1903      -70.5  
1 1 1 15 34 10 o 24.81000       1.465000      713.1647      106.5  
1 1 1 15 34 11 o 4.927000       1.314000      679.2205      -155.2 
1 1 1 15 34 12 o 7.850000       1.265000      434.0231      -135.8 
1 1 1 15 34 13 o 8.257000       1.343000      636.0477      -150.1 
1 1 1 15 34 14 o 5.554000       1.042000      461.0335      -124.9 
1 1 1 15 34 15 o 6.526000       1.146000      370.4030      99.7   
1 1 1 15 34 16 o 23.08000       1.343000      640.9664      144.8  
1 1 1 15 34 17 o 6.540000       1.139000      308.1223      -88.2  
1 1 1 15 34 18 o 36.85000       1.424000      807.4268      110.9  
1 1 1 15 34 19 o 6.975000       1.065000      307.5670      -134.3 
1 1 1 15 34 20 o 10.93000       1.092000      458.8005      165.3  
1 1 1 15 34 21 o 6.301000       1.048000      233.1465      64.2   
1 1 1 15 34 22 o 11.82000       1.254000      432.4044      170.1  
1 1 1 15 34 23 o 4.776000       1.010000      329.3376      160.9  
1 1 1 15 34 24 o 2.000000       0.9788000     327.2722      12.3   
1 1 1 15 34 25 o 2.341000       0.9945000     293.9817      -112.2 
1 1 1 15 34 26 o 6.354000       1.050000      508.4202      113.2  
1 1 1 15 34 27 o -0.9665000     1.000000      74.74810      160.5  
1 1 1 15 34 28 o 0.1670000E-01  1.098000      168.2790      -140.2 
1 1 1 15 34 29 o 2.375000       0.9282000     434.1353      105.3  
1 1 1 15 34 30 o 13.55000       1.076000      572.3378      150.8  
1 1 1 15 34 31 o 6.512000       0.9555000     410.8517      -156.6 
1 1 1 15 34 32 o 3.295000       0.9207000     431.3886      54.0   
1 1 1 15 34 33 o 4.401000       0.9474000     233.5798      12.8   
1 1 1 15 34 34 o 14.87000       1.044000      595.9974      117.7  
1 1 1 15 34 35 o 18.94000       1.300000      634.2495      50.4   
1 1 1 15 34 36 o 0.6180000      0.9982000     101.1223      -147.9 
1 1 1 15 34 37 o 5.537000       1.037000      431.7352      167.6  
1 1 1 15 34 38 o 2.741000       1.032000      260.4548      92.9   
1 1 1 15 34 39 o 37.42000       2.062000      751.3436      73.9   
1 1 1 15 34 40 o 2.947000       1.301000      261.8864      36.1   
1 1 1 15 34 41 o 15.51000       1.760000      588.2125      82.0   
1 1 1 15 34 42 o 1.403000       2.226000      58.36742      -88.3  
1 1 1 15 34 43 o 1.339000       1.258000      92.98718      57.1   
1 1 1 15 34 44 o 2.908000       1.267000      ?             ?      
1 1 1 15 34 45 o 7.459000       1.450000      ?             ?      
1 1 1 15 34 46 o 6.692000       1.577000      ?             ?      
1 1 1 15 34 47 o -0.5865000     1.537000      ?             ?      
1 1 1 15 34 48 o 0.3473000      1.556000      ?             ?      
1 1 1 15 34 49 o 2.472000       1.428000      ?             ?      
1 1 1 15 34 50 o 0.6865000      1.138000      ?             ?      
1 1 1 15 34 51 o -0.3448000     1.146000      ?             ?      
1 1 1 15 34 52 o 3.513000       1.228000      ?             ?      
1 1 1 15 34 53 o 1.760000       1.222000      ?             ?      
1 1 1 15 34 54 o 0.4161000      1.131000      ?             ?      
1 1 1 15 34 55 o 1.530000       1.147000      ?             ?      
1 1 1 15 34 56 o 0.3912000      1.163000      ?             ?      
1 1 1 15 34 57 o -0.8162000     1.168000      ?             ?      
1 1 1 15 34 58 o -0.2637000     1.194000      ?             ?      
1 1 1 15 34 59 o 1.892000       1.218000      ?             ?      
1 1 1 15 34 60 o 1.894000       1.539000      ?             ?      
1 1 1 15 34 61 o -1.689000      1.715000      ?             ?      
1 1 1 15 34 62 o 2.568000       1.411000      ?             ?      
1 1 1 15 34 63 o -0.6212000     1.252000      ?             ?      
1 1 1 15 35 0  o 1.131000       1.063000      55.61079      -90.0  
1 1 1 15 35 1  o 7.794000       0.8134000     479.6069      77.9   
1 1 1 15 35 2  o 13.25000       0.8551000     524.7538      118.8  
1 1 1 15 35 3  o 0.2842000      0.7804000     226.9544      -172.5 
1 1 1 15 35 4  o 10.60000       0.8632000     371.6651      105.2  
1 1 1 15 35 5  o 2.145000       0.8010000     171.9716      24.8   
1 1 1 15 35 6  o 20.75000       0.9891000     704.5960      -126.4 
1 1 1 15 35 7  o 3.775000       0.9050000     330.0591      147.8  
1 1 1 15 35 8  o -0.4800000E-01 0.9831000     196.4091      -104.0 
1 1 1 15 35 9  f 3.969000       1.042000      247.5322      46.6   
1 1 1 15 35 10 o 10.97000       1.184000      524.5245      4.7    
1 1 1 15 35 11 o 3.097000       1.024000      339.1432      148.3  
1 1 1 15 35 12 o 20.09000       2.018000      683.2028      -107.8 
1 1 1 15 35 13 o 9.001000       1.355000      428.7167      80.0   
1 1 1 15 35 14 o 3.478000       1.019000      176.4341      -55.4  
1 1 1 15 35 15 o 5.886000       1.150000      321.8371      -124.5 
1 1 1 15 35 16 o 34.86000       1.556000      750.7531      179.2  
1 1 1 15 35 17 o 4.841000       1.157000      180.8354      -122.0 
1 1 1 15 35 18 o 0.8433000E-01  1.149000      214.4477      -149.9 
1 1 1 15 35 19 o 14.72000       1.137000      570.8524      -141.1 
1 1 1 15 35 20 o 1.995000       1.023000      239.7845      179.7  
1 1 1 15 35 21 o 7.083000       1.056000      575.6476      4.6    
1 1 1 15 35 22 o 18.81000       1.356000      689.9568      57.3   
1 1 1 15 35 23 o 6.915000       1.042000      302.5949      -22.9  
1 1 1 15 35 24 o 16.79000       1.354000      475.7585      -71.5  
1 1 1 15 35 25 o 7.500000       1.019000      335.0806      86.9   
1 1 1 15 35 26 o 1.043000       1.149000      171.1808      -86.8  
1 1 1 15 35 27 o 14.22000       1.108000      547.2599      -77.6  
1 1 1 15 35 28 o -2.287000      1.079000      99.00773      -76.8  
1 1 1 15 35 29 o 0.2304000      1.033000      193.7861      -88.3  
1 1 1 15 35 30 o 0.2757000      0.9494000     90.27985      -92.7  
1 1 1 15 35 31 o -0.6301000     0.9180000     93.60819      -46.6  
1 1 1 15 35 32 o 10.46000       0.9704000     632.4805      63.1   
1 1 1 15 35 33 o 9.754000       0.9936000     524.5250      -165.9 
1 1 1 15 35 34 o 1.653000       0.9668000     270.7597      -1.1   
1 1 1 15 35 35 f 7.962000       1.007000      383.9782      -120.1 
1 1 1 15 35 36 o 12.75000       1.136000      540.8278      -2.9   
1 1 1 15 35 37 o 6.436000       1.202000      356.8713      -69.5  
1 1 1 15 35 38 o 0.8547000      1.090000      138.5391      -113.7 
1 1 1 15 35 39 o 1.361000       1.152000      121.2201      -115.8 
1 1 1 15 35 40 o -0.5758000     1.058000      31.51745      28.2   
1 1 1 15 35 41 o 1.960000       1.367000      140.0471      -161.1 
1 1 1 15 35 42 o 5.598000       1.516000      306.8923      122.2  
1 1 1 15 35 43 o 1.676000       1.363000      ?             ?      
1 1 1 15 35 44 o 7.018000       1.558000      ?             ?      
1 1 1 15 35 45 o 5.650000       1.377000      ?             ?      
1 1 1 15 35 46 o 0.3453000E-01  1.326000      ?             ?      
1 1 1 15 35 47 o 2.742000       1.353000      ?             ?      
1 1 1 15 35 48 o 0.9930000      1.346000      ?             ?      
1 1 1 15 35 49 o -0.9751000     1.516000      ?             ?      
1 1 1 15 35 50 o 2.000000       1.299000      ?             ?      
1 1 1 15 35 51 o 3.476000       1.188000      ?             ?      
1 1 1 15 35 52 o 0.7039000      1.640000      ?             ?      
1 1 1 15 35 53 o 2.698000       1.180000      ?             ?      
1 1 1 15 35 54 o 1.258000       1.139000      ?             ?      
1 1 1 15 35 55 o 2.842000       1.226000      ?             ?      
1 1 1 15 35 56 o 0.7441000E-02  1.232000      ?             ?      
1 1 1 15 35 57 o 0.6567000      1.235000      ?             ?      
1 1 1 15 35 58 o 0.1788000E-01  1.177000      ?             ?      
1 1 1 15 35 59 o -1.777000      1.299000      ?             ?      
1 1 1 15 35 60 o -3.427000      1.433000      ?             ?      
1 1 1 15 35 61 o -0.8786000     1.557000      ?             ?      
1 1 1 15 35 62 o 0.3435000      1.474000      ?             ?      
1 1 1 15 36 0  o 5.786000       1.110000      477.1966      90.0   
1 1 1 15 36 1  o 4.111000       0.7941000     386.9839      119.9  
1 1 1 15 36 2  o 1.873000       0.7738000     236.4039      -158.3 
1 1 1 15 36 3  o 5.056000       0.8106000     365.6955      136.3  
1 1 1 15 36 4  o 11.34000       0.8703000     459.6597      34.9   
1 1 1 15 36 5  o 5.740000       0.8261000     261.7673      60.5   
1 1 1 15 36 6  o 3.073000       0.8768000     153.8382      143.7  
1 1 1 15 36 7  o 5.348000       1.187000      403.2450      -98.6  
1 1 1 15 36 8  o 22.93000       1.305000      732.9568      170.6  
1 1 1 15 36 9  o 4.926000       0.9318000     354.7619      -25.3  
1 1 1 15 36 10 o 17.43000       1.141000      650.5710      -171.1 
1 1 1 15 36 11 o 1.745000       1.269000      238.7327      175.7  
1 1 1 15 36 12 o 3.024000       1.283000      238.2797      -143.8 
1 1 1 15 36 13 o 9.089000       1.101000      482.1002      -145.7 
1 1 1 15 36 14 o 4.294000       1.015000      357.4577      -164.0 
1 1 1 15 36 15 o 8.504000       1.177000      413.8841      -6.8   
1 1 1 15 36 16 o 7.451000       1.194000      349.8336      -88.0  
1 1 1 15 36 17 o 3.510000       1.143000      211.4074      -55.2  
1 1 1 15 36 18 o 1.404000       1.151000      240.0121      -111.7 
1 1 1 15 36 19 o 14.24000       1.330000      577.3799      -64.6  
1 1 1 15 36 20 o 15.62000       1.343000      602.8675      110.7  
1 1 1 15 36 21 o 4.126000       1.070000      299.4102      143.7  
1 1 1 15 36 22 o 2.944000       1.031000      295.4229      17.1   
1 1 1 15 36 23 o 5.033000       1.054000      227.3929      -45.9  
1 1 1 15 36 24 o 9.753000       1.088000      397.3218      -24.2  
1 1 1 15 36 25 o 0.7706000      1.030000      116.0127      30.8   
1 1 1 15 36 26 o 9.643000       1.068000      522.6989      44.2   
1 1 1 15 36 27 o 0.7935000      1.133000      250.5762      -84.3  
1 1 1 15 36 28 o 2.317000       1.140000      102.1680      -13.0  
1 1 1 15 36 29 o 3.955000       1.080000      405.0067      160.2  
1 1 1 15 36 30 o 8.630000       1.251000      517.7827      -158.4 
1 1 1 15 36 31 o 10.15000       0.9449000     444.1074      78.8   
1 1 1 15 36 32 o 4.821000       0.9150000     344.4333      18.7   
1 1 1 15 36 33 o 1.627000       0.9177000     139.8027      78.2   
1 1 1 15 36 34 o 0.9372000      1.128000      219.6481      -88.4  
1 1 1 15 36 35 o 6.924000       1.194000      359.3643      41.7   
1 1 1 15 36 36 o 0.3333000E-01  1.051000      68.86147      106.4  
1 1 1 15 36 37 o 2.805000       1.135000      240.5553      87.9   
1 1 1 15 36 38 o 5.376000       1.064000      406.9864      -95.0  
1 1 1 15 36 39 o 3.852000       1.114000      226.2504      75.2   
1 1 1 15 36 40 o 0.9831000E-01  1.089000      138.5299      104.1  
1 1 1 15 36 41 o 1.855000       1.198000      306.9563      143.7  
1 1 1 15 36 42 o -1.589000      1.234000      ?             ?      
1 1 1 15 36 43 o 0.4111000      1.331000      ?             ?      
1 1 1 15 36 44 o 1.443000       1.256000      ?             ?      
1 1 1 15 36 45 o 8.033000       1.369000      ?             ?      
1 1 1 15 36 46 o 2.605000       1.248000      ?             ?      
1 1 1 15 36 47 o 2.078000       1.125000      ?             ?      
1 1 1 15 36 48 o 0.3473000      1.422000      ?             ?      
1 1 1 15 36 49 o 0.2800000      1.539000      ?             ?      
1 1 1 15 36 50 o 1.338000       1.270000      ?             ?      
1 1 1 15 36 51 o 0.3973000      1.154000      ?             ?      
1 1 1 15 36 52 o 1.803000       1.156000      ?             ?      
1 1 1 15 36 53 o 0.2218000      1.157000      ?             ?      
1 1 1 15 36 54 o -1.208000      1.173000      ?             ?      
1 1 1 15 36 55 o 2.897000       1.214000      ?             ?      
1 1 1 15 36 56 o 0.8503000      1.218000      ?             ?      
1 1 1 15 36 57 o -0.6206000     1.161000      ?             ?      
1 1 1 15 36 58 o -1.019000      1.239000      ?             ?      
1 1 1 15 36 59 o 0.8709000      1.297000      ?             ?      
1 1 1 15 36 60 o 0.9213000      1.775000      ?             ?      
1 1 1 15 36 61 o 2.527000       1.501000      ?             ?      
1 1 1 15 37 0  o 1.589000       1.101000      80.29950      -90.0  
1 1 1 15 37 1  o 6.228000       0.8159000     329.8402      128.7  
1 1 1 15 37 2  o 8.159000       0.8337000     355.1224      173.4  
1 1 1 15 37 3  o 10.55000       0.8647000     391.0949      -149.7 
1 1 1 15 37 4  o 0.4303000      0.7999000     144.0510      -64.2  
1 1 1 15 37 5  o 0.2560000E-01  0.7952000     123.9806      88.8   
1 1 1 15 37 6  o 0.6190000      1.100000      246.6465      177.4  
1 1 1 15 37 7  o 7.520000       1.010000      457.6296      118.5  
1 1 1 15 37 8  o 3.054000       0.9234000     278.5917      28.6   
1 1 1 15 37 9  o 11.53000       0.9846000     345.0693      -137.7 
1 1 1 15 37 10 o 16.41000       1.149000      590.7100      -46.0  
1 1 1 15 37 11 o 9.180000       1.286000      379.2210      -136.0 
1 1 1 15 37 12 o 7.846000       1.289000      362.5399      -15.5  
1 1 1 15 37 13 o 7.514000       1.042000      334.2052      27.8   
1 1 1 15 37 14 o 2.032000       0.9866000     182.1644      -151.0 
1 1 1 15 37 15 o -0.5939000     1.140000      195.7474      -1.3   
1 1 1 15 37 16 o -1.604000      1.121000      110.1546      166.8  
1 1 1 15 37 17 o 2.970000       1.225000      177.5168      142.6  
1 1 1 15 37 18 o 17.99000       1.405000      565.6241      -159.2 
1 1 1 15 37 19 o 4.992000       1.231000      244.6624      -96.7  
1 1 1 15 37 20 o 13.12000       1.324000      481.2556      60.7   
1 1 1 15 37 21 o 2.795000       1.214000      349.1125      38.3   
1 1 1 15 37 22 o 0.7241000      1.059000      92.08650      -58.0  
1 1 1 15 37 23 o 2.449000       1.098000      359.0205      64.4   
1 1 1 15 37 24 o 10.64000       1.414000      450.5918      171.5  
1 1 1 15 37 25 o -0.8407000     1.079000      232.8545      163.7  
1 1 1 15 37 26 o 3.615000       1.147000      252.4212      -172.4 
1 1 1 15 37 27 o 2.262000       1.226000      165.5306      -38.4  
1 1 1 15 37 28 o 1.291000       1.124000      43.37049      175.3  
1 1 1 15 37 29 o 1.936000       1.279000      169.8439      -92.0  
1 1 1 15 37 30 o 1.646000       1.275000      263.7661      47.7   
1 1 1 15 37 31 o 2.922000       1.085000      228.2590      -11.6  
1 1 1 15 37 32 o 3.994000       1.167000      329.4440      169.2  
1 1 1 15 37 33 o -1.840000      1.158000      106.3548      44.5   
1 1 1 15 37 34 o 2.818000       1.156000      197.3502      48.2   
1 1 1 15 37 35 o 0.8093000      1.082000      118.3169      51.9   
1 1 1 15 37 36 f -0.6068000     1.003000      103.6335      -26.3  
1 1 1 15 37 37 o 8.484000       1.142000      443.9132      -109.3 
1 1 1 15 37 38 o 3.741000       1.185000      256.9836      77.5   
1 1 1 15 37 39 o 3.019000       1.207000      207.6995      -22.9  
1 1 1 15 37 40 o 1.730000       1.040000      230.1846      179.5  
1 1 1 15 37 41 o 1.471000       1.023000      ?             ?      
1 1 1 15 37 42 f -1.717000      1.149000      ?             ?      
1 1 1 15 37 43 o 1.822000       1.394000      ?             ?      
1 1 1 15 37 44 o 19.71000       1.991000      ?             ?      
1 1 1 15 37 45 o 0.8204000      1.528000      ?             ?      
1 1 1 15 37 46 o 2.236000       1.130000      ?             ?      
1 1 1 15 37 47 o 0.6855000      1.076000      ?             ?      
1 1 1 15 37 48 o -0.1975000     1.065000      ?             ?      
1 1 1 15 37 49 o -0.2851000     1.234000      ?             ?      
1 1 1 15 37 50 o 3.872000       1.403000      ?             ?      
1 1 1 15 37 51 o -1.564000      1.298000      ?             ?      
1 1 1 15 37 52 o 0.3728000      1.192000      ?             ?      
1 1 1 15 37 53 o 3.645000       1.152000      ?             ?      
1 1 1 15 37 54 o 6.468000       1.234000      ?             ?      
1 1 1 15 37 55 o -0.5023000     1.180000      ?             ?      
1 1 1 15 37 56 o 2.478000       1.195000      ?             ?      
1 1 1 15 37 57 o 0.9314000      1.157000      ?             ?      
1 1 1 15 37 58 o -0.3122000E-01 1.349000      ?             ?      
1 1 1 15 37 59 o -1.009000      1.418000      ?             ?      
1 1 1 15 37 60 o 0.1273000      1.266000      ?             ?      
1 1 1 15 37 61 o 0.1017000      1.303000      ?             ?      
1 1 1 15 38 0  o -1.645000      1.135000      89.53220      -90.0  
1 1 1 15 38 1  o 1.964000       0.7895000     199.0527      -95.9  
1 1 1 15 38 2  o 0.6002000      0.7893000     184.1798      -164.6 
1 1 1 15 38 3  o 8.059000       0.8599000     378.4147      122.4  
1 1 1 15 38 4  o 7.877000       0.8748000     432.2050      -167.1 
1 1 1 15 38 5  o 1.764000       0.8583000     120.9935      -49.8  
1 1 1 15 38 6  o 0.6138000      0.8653000     148.4315      -66.0  
1 1 1 15 38 7  o 0.7172000E-01  0.9320000     151.5148      -156.2 
1 1 1 15 38 8  o 2.009000       0.9111000     234.6008      -130.2 
1 1 1 15 38 9  o 2.197000       0.8869000     182.4791      44.9   
1 1 1 15 38 10 o -0.8526000     1.232000      212.9958      -59.2  
1 1 1 15 38 11 o -2.267000      1.133000      137.2186      70.1   
1 1 1 15 38 12 o 3.985000       1.002000      240.3724      179.2  
1 1 1 15 38 13 o 3.378000       0.9848000     332.1918      118.3  
1 1 1 15 38 14 o 0.5698000      0.9947000     71.15852      93.8   
1 1 1 15 38 15 o 4.560000       1.185000      303.6619      -35.9  
1 1 1 15 38 16 o 3.450000       1.197000      84.19993      154.5  
1 1 1 15 38 17 o 12.12000       1.345000      473.4561      -32.6  
1 1 1 15 38 18 o 6.017000       1.280000      376.6796      -63.5  
1 1 1 15 38 19 o 1.928000       1.250000      230.8965      -38.2  
1 1 1 15 38 20 o 11.30000       1.361000      447.6487      105.7  
1 1 1 15 38 21 o 2.353000       1.250000      115.0220      115.4  
1 1 1 15 38 22 o 5.478000       1.317000      281.7665      -46.5  
1 1 1 15 38 23 o 1.962000       1.122000      231.9333      -5.0   
1 1 1 15 38 24 o 8.778000       1.200000      377.1659      -13.6  
1 1 1 15 38 25 o 4.257000       1.174000      300.1741      -107.7 
1 1 1 15 38 26 o 4.439000       1.387000      218.3372      90.3   
1 1 1 15 38 27 o 3.465000       1.321000      161.4948      -91.9  
1 1 1 15 38 28 o 1.642000       1.194000      161.3843      21.8   
1 1 1 15 38 29 o -0.3885000E-01 1.295000      88.70184      -134.4 
1 1 1 15 38 30 o 1.813000       1.161000      181.4896      -82.8  
1 1 1 15 38 31 o 9.674000       1.218000      376.3576      122.9  
1 1 1 15 38 32 o 2.373000       1.214000      378.3411      -81.3  
1 1 1 15 38 33 o -1.631000      1.185000      89.45226      -160.2 
1 1 1 15 38 34 o 3.763000       1.045000      177.7933      131.9  
1 1 1 15 38 35 o 6.314000       1.098000      306.2740      39.4   
1 1 1 15 38 36 o 1.509000       1.098000      225.5444      -73.2  
1 1 1 15 38 37 o -0.5536000     1.138000      68.20795      -76.1  
1 1 1 15 38 38 o 2.993000       1.054000      237.5929      131.1  
1 1 1 15 38 39 o 3.304000       1.035000      227.2007      126.7  
1 1 1 15 38 40 o 1.844000       1.010000      ?             ?      
1 1 1 15 38 41 o 1.444000       1.012000      ?             ?      
1 1 1 15 38 42 o 1.819000       1.019000      ?             ?      
1 1 1 15 38 43 o 6.391000       1.306000      ?             ?      
1 1 1 15 38 44 o 2.066000       1.410000      ?             ?      
1 1 1 15 38 45 o -1.725000      1.201000      ?             ?      
1 1 1 15 38 46 o -1.202000      1.152000      ?             ?      
1 1 1 15 38 47 o -0.3413000     1.059000      ?             ?      
1 1 1 15 38 48 o 1.555000       1.065000      ?             ?      
1 1 1 15 38 49 o 0.9351000      1.072000      ?             ?      
1 1 1 15 38 50 o -0.3344000E-01 1.227000      ?             ?      
1 1 1 15 38 51 o 1.416000       1.356000      ?             ?      
1 1 1 15 38 52 o 0.3424000      1.240000      ?             ?      
1 1 1 15 38 53 o 1.423000       1.127000      ?             ?      
1 1 1 15 38 54 o -0.4697000     1.200000      ?             ?      
1 1 1 15 38 55 o 0.1260000      1.202000      ?             ?      
1 1 1 15 38 56 o 0.5246000      1.215000      ?             ?      
1 1 1 15 38 57 o -1.190000      1.193000      ?             ?      
1 1 1 15 38 58 o 1.020000       1.286000      ?             ?      
1 1 1 15 38 59 o 1.049000       1.380000      ?             ?      
1 1 1 15 38 60 o -0.2170000     1.252000      ?             ?      
1 1 1 15 39 0  o 1.781000       1.159000      173.1939      90.0   
1 1 1 15 39 1  o 1.198000       0.7887000     72.46104      -167.1 
1 1 1 15 39 2  o 1.748000       0.8027000     157.1297      -117.1 
1 1 1 15 39 3  o 3.596000       0.8285000     139.8380      -110.9 
1 1 1 15 39 4  o -0.7015000     0.8132000     55.82656      160.7  
1 1 1 15 39 5  o 4.841000       0.8745000     337.1350      -27.1  
1 1 1 15 39 6  o 0.9323000      0.8945000     166.7715      73.2   
1 1 1 15 39 7  o -1.144000      0.8598000     87.56341      111.0  
1 1 1 15 39 8  o 0.7222000      0.8205000     175.8168      125.5  
1 1 1 15 39 9  o 5.308000       0.9081000     269.7079      -87.8  
1 1 1 15 39 10 o 1.382000       1.275000      203.6282      -55.8  
1 1 1 15 39 11 o 0.5469000      1.148000      145.2868      101.4  
1 1 1 15 39 12 o 0.9196000      0.9543000     132.5211      -39.3  
1 1 1 15 39 13 o -0.1471000     0.9697000     139.1990      -148.8 
1 1 1 15 39 14 o 0.1459000      1.156000      147.7783      -123.5 
1 1 1 15 39 15 o 1.932000       1.184000      248.2995      22.2   
1 1 1 15 39 16 o 4.889000       1.268000      226.7770      94.1   
1 1 1 15 39 17 o 0.9639000      1.207000      39.14468      -95.0  
1 1 1 15 39 18 o -1.987000      1.236000      79.94666      -104.1 
1 1 1 15 39 19 o 4.157000       1.296000      229.6383      9.7    
1 1 1 15 39 20 o 2.101000       1.297000      262.2383      118.7  
1 1 1 15 39 21 o 0.2550000      1.275000      158.1257      -100.6 
1 1 1 15 39 22 o 0.2369000      1.285000      41.03976      33.3   
1 1 1 15 39 23 o 2.652000       1.348000      307.0902      26.6   
1 1 1 15 39 24 o 2.568000       1.197000      163.9741      -119.4 
1 1 1 15 39 25 o 3.386000       1.371000      202.4173      -137.8 
1 1 1 15 39 26 o 0.6072000      1.364000      170.8510      -103.3 
1 1 1 15 39 27 o 2.071000       1.248000      98.46786      46.5   
1 1 1 15 39 28 o 3.836000       1.490000      199.7710      46.8   
1 1 1 15 39 29 o 3.850000       1.392000      209.7895      -2.0   
1 1 1 15 39 30 o -1.484000      1.200000      79.09712      -156.2 
1 1 1 15 39 31 o -0.6440000     1.254000      212.2887      -16.9  
1 1 1 15 39 32 o 1.894000       1.391000      267.9535      170.0  
1 1 1 15 39 33 o 1.718000       1.191000      124.3674      75.3   
1 1 1 15 39 34 o 0.1156000      1.661000      72.20321      -4.2   
1 1 1 15 39 35 o 0.1658000      0.9658000     109.3948      22.9   
1 1 1 15 39 36 o 7.695000       1.116000      285.3576      -160.8 
1 1 1 15 39 37 o 1.510000       1.016000      165.5926      -104.6 
1 1 1 15 39 38 o -1.275000      0.9939000     ?             ?      
1 1 1 15 39 39 o 0.9270000      0.9865000     ?             ?      
1 1 1 15 39 40 o -0.5384000     0.9614000     ?             ?      
1 1 1 15 39 41 o -0.6637000     0.9732000     ?             ?      
1 1 1 15 39 42 o -0.2754000     1.018000      ?             ?      
1 1 1 15 39 43 o 3.675000       1.166000      ?             ?      
1 1 1 15 39 44 o 1.634000       1.309000      ?             ?      
1 1 1 15 39 45 o 2.226000       1.275000      ?             ?      
1 1 1 15 39 46 o 0.9739000      1.141000      ?             ?      
1 1 1 15 39 47 o 1.583000       1.051000      ?             ?      
1 1 1 15 39 48 o 0.6951000      1.058000      ?             ?      
1 1 1 15 39 49 o 0.8581000      1.116000      ?             ?      
1 1 1 15 39 50 o 2.021000       1.231000      ?             ?      
1 1 1 15 39 51 o 0.4579000      1.227000      ?             ?      
1 1 1 15 39 52 o -1.458000      1.338000      ?             ?      
1 1 1 15 39 53 o 0.3099000      1.244000      ?             ?      
1 1 1 15 39 54 o 1.887000       1.102000      ?             ?      
1 1 1 15 39 55 o -1.145000      1.115000      ?             ?      
1 1 1 15 39 56 o -0.3874000     1.143000      ?             ?      
1 1 1 15 39 57 o 0.9211000      1.393000      ?             ?      
1 1 1 15 39 58 o 2.030000       1.397000      ?             ?      
1 1 1 15 39 59 o 1.570000       1.332000      ?             ?      
1 1 1 15 40 0  o 1.877000       1.184000      186.6484      -90.0  
1 1 1 15 40 1  o 0.7880000      0.7972000     133.0057      124.7  
1 1 1 15 40 2  o 4.175000       0.8319000     196.0909      101.9  
1 1 1 15 40 3  o -0.1610000     0.8302000     44.13023      -130.2 
1 1 1 15 40 4  o -0.5747000E-01 0.8574000     160.9568      76.0   
1 1 1 15 40 5  o 0.9645000      0.9195000     181.2985      -29.8  
1 1 1 15 40 6  o 1.047000       0.8976000     82.31050      -136.8 
1 1 1 15 40 7  o 8.498000       0.9455000     351.3429      -176.8 
1 1 1 15 40 8  o 5.452000       0.9035000     329.3188      -0.9   
1 1 1 15 40 9  o 2.136000       0.8868000     221.2980      103.6  
1 1 1 15 40 10 o 0.1117000      1.244000      131.1474      -112.0 
1 1 1 15 40 11 o -0.4378000     0.9821000     48.18029      130.8  
1 1 1 15 40 12 o 1.557000       0.9975000     149.8679      129.2  
1 1 1 15 40 13 o -0.1207000E-01 0.9825000     59.63745      -170.7 
1 1 1 15 40 14 o 3.544000       1.185000      74.41194      57.3   
1 1 1 15 40 15 o 0.5557000      1.215000      59.99032      -17.3  
1 1 1 15 40 16 o -0.2010000     1.215000      33.88963      -29.4  
1 1 1 15 40 17 o -0.3119000     1.217000      137.7223      96.8   
1 1 1 15 40 18 o 1.287000       1.250000      153.7597      -82.2  
1 1 1 15 40 19 o 4.350000       1.310000      85.86392      -64.8  
1 1 1 15 40 20 o 6.841000       1.337000      297.3164      109.6  
1 1 1 15 40 21 o -1.753000      1.291000      90.75117      -0.4   
1 1 1 15 40 22 o 0.9087000      1.341000      85.19511      57.9   
1 1 1 15 40 23 o 1.071000       1.388000      197.5918      32.0   
1 1 1 15 40 24 o 1.884000       1.428000      114.8735      -15.5  
1 1 1 15 40 25 o 1.958000       1.373000      137.9885      -41.3  
1 1 1 15 40 26 o 0.2852000      1.385000      95.83533      83.5   
1 1 1 15 40 27 o 0.2867000      1.343000      28.95185      37.6   
1 1 1 15 40 28 o 1.506000       1.422000      109.0651      -22.6  
1 1 1 15 40 29 o -1.030000      1.316000      157.9645      -124.7 
1 1 1 15 40 30 o 5.060000       1.714000      166.4649      75.9   
1 1 1 15 40 31 o 3.280000       1.628000      80.63942      -92.7  
1 1 1 15 40 32 o 3.719000       1.654000      214.8423      -88.6  
1 1 1 15 40 33 o 1.253000       1.233000      211.8837      112.4  
1 1 1 15 40 34 o 2.691000       1.193000      125.7672      3.4    
1 1 1 15 40 35 o 5.851000       1.213000      237.3184      -55.4  
1 1 1 15 40 36 o 6.395000       1.100000      184.7796      -49.3  
1 1 1 15 40 37 o 1.053000       0.9699000     ?             ?      
1 1 1 15 40 38 o -0.5383000     0.9500000     ?             ?      
1 1 1 15 40 39 f 1.618000       0.9510000     ?             ?      
1 1 1 15 40 40 o 0.1119000      0.9442000     ?             ?      
1 1 1 15 40 41 o -2.218000      1.136000      ?             ?      
1 1 1 15 40 42 o -0.6470000     0.9842000     ?             ?      
1 1 1 15 40 43 o 1.082000       1.086000      ?             ?      
1 1 1 15 40 44 o -0.4354000E-01 1.151000      ?             ?      
1 1 1 15 40 45 o -0.9868000     1.166000      ?             ?      
1 1 1 15 40 46 o 0.6516000      1.183000      ?             ?      
1 1 1 15 40 47 o -0.2104000     1.075000      ?             ?      
1 1 1 15 40 48 o 1.618000       1.087000      ?             ?      
1 1 1 15 40 49 o 7.939000       1.151000      ?             ?      
1 1 1 15 40 50 o 0.5033000      1.069000      ?             ?      
1 1 1 15 40 51 o 1.770000       1.210000      ?             ?      
1 1 1 15 40 52 o -0.5615000     1.208000      ?             ?      
1 1 1 15 40 53 o 0.9459000      1.350000      ?             ?      
1 1 1 15 40 54 o -0.6547000     1.228000      ?             ?      
1 1 1 15 40 55 o -0.3145000     1.116000      ?             ?      
1 1 1 15 40 56 o 1.103000       1.191000      ?             ?      
1 1 1 15 40 57 o 1.396000       1.391000      ?             ?      
1 1 1 15 40 58 o -0.6682000     1.305000      ?             ?      
1 1 1 15 41 0  o 1.047000       1.212000      123.7738      90.0   
1 1 1 15 41 1  o -0.1712000E-01 0.8112000     114.9281      172.3  
1 1 1 15 41 2  o 0.8481000      0.8344000     194.4509      161.6  
1 1 1 15 41 3  o 1.471000       0.8550000     4.091410      -131.9 
1 1 1 15 41 4  o 0.4900000      0.8727000     48.90697      24.0   
1 1 1 15 41 5  o -1.100000      0.9166000     35.97952      172.5  
1 1 1 15 41 6  o 0.6712000      0.8734000     127.3094      171.6  
1 1 1 15 41 7  o -1.535000      0.8003000     42.70882      -55.1  
1 1 1 15 41 8  o 3.266000       0.8663000     188.5257      -111.0 
1 1 1 15 41 9  o -0.2306000     0.8974000     44.40275      129.5  
1 1 1 15 41 10 o 1.851000       1.174000      115.6397      -90.0  
1 1 1 15 41 11 o -0.2514000     0.9788000     34.38073      -63.2  
1 1 1 15 41 12 o 0.7410000      1.013000      55.49688      -148.8 
1 1 1 15 41 13 o -0.4472000     0.9993000     67.19392      -23.5  
1 1 1 15 41 14 o -0.6533000     1.195000      128.5400      121.9  
1 1 1 15 41 15 o 2.407000       1.281000      24.72895      -57.9  
1 1 1 15 41 16 o 4.460000       1.274000      153.7318      -151.9 
1 1 1 15 41 17 o 1.250000       1.261000      66.77430      -5.4   
1 1 1 15 41 18 o 1.071000       1.273000      61.91740      132.2  
1 1 1 15 41 19 o 0.8489000      1.270000      33.06572      59.5   
1 1 1 15 41 20 o -3.142000      1.279000      129.5547      -129.4 
1 1 1 15 41 21 o 4.709000       1.344000      235.5603      -67.1  
1 1 1 15 41 22 o 0.2825000      1.349000      70.18913      131.2  
1 1 1 15 41 23 o -0.9828000     1.383000      78.86795      -32.8  
1 1 1 15 41 24 o -0.1535000     1.840000      69.84907      -134.2 
1 1 1 15 41 25 f 6.903000       1.971000      86.38333      -91.4  
1 1 1 15 41 26 o -2.632000      1.415000      134.2413      49.3   
1 1 1 15 41 27 o 1.451000       1.687000      43.80219      -65.9  
1 1 1 15 41 28 o 1.493000       2.227000      63.85527      39.0   
1 1 1 15 41 29 o -1.984000      1.583000      47.07580      104.3  
1 1 1 15 41 30 o -1.816000      1.244000      74.72610      8.2    
1 1 1 15 41 31 o 0.7186000      1.304000      37.20566      -162.9 
1 1 1 15 41 32 o 3.163000       1.247000      101.9036      -164.1 
1 1 1 15 41 33 o -0.2564000     1.204000      169.5589      -9.4   
1 1 1 15 41 34 o -1.639000      1.197000      89.88617      129.0  
1 1 1 15 41 35 o 1.500000       1.218000      ?             ?      
1 1 1 15 41 36 o -2.664000      1.156000      ?             ?      
1 1 1 15 41 37 o 0.8855000      1.206000      ?             ?      
1 1 1 15 41 38 o 1.305000       0.9244000     ?             ?      
1 1 1 15 41 39 o 0.7452000      0.9244000     ?             ?      
1 1 1 15 41 40 o 0.4016000E-02  0.9194000     ?             ?      
1 1 1 15 41 41 o 1.100000       0.9488000     ?             ?      
1 1 1 15 41 42 o 0.9189000      1.056000      ?             ?      
1 1 1 15 41 43 o 1.591000       1.069000      ?             ?      
1 1 1 15 41 44 o 0.1214000      0.9884000     ?             ?      
1 1 1 15 41 45 o 0.8223000      1.077000      ?             ?      
1 1 1 15 41 46 o 0.9557000      1.148000      ?             ?      
1 1 1 15 41 47 o 0.5299000      1.068000      ?             ?      
1 1 1 15 41 48 o -1.601000      1.056000      ?             ?      
1 1 1 15 41 49 o -0.6777000     1.069000      ?             ?      
1 1 1 15 41 50 o 0.4004000      1.057000      ?             ?      
1 1 1 15 41 51 o 1.179000       1.043000      ?             ?      
1 1 1 15 41 52 o 1.915000       1.222000      ?             ?      
1 1 1 15 41 53 o 1.047000       1.230000      ?             ?      
1 1 1 15 41 54 o -0.7546000     1.364000      ?             ?      
1 1 1 15 41 55 o -0.5388000     1.249000      ?             ?      
1 1 1 15 41 56 o -0.3069000     1.228000      ?             ?      
1 1 1 15 41 57 o 0.2620000      1.643000      ?             ?      
1 1 1 15 42 0  o 1.033000       1.275000      64.37478      90.0   
1 1 1 15 42 1  o 2.236000       0.8665000     47.97911      89.6   
1 1 1 15 42 2  o 0.5343000      0.8634000     94.00803      -77.7  
1 1 1 15 42 3  o 3.680000       0.9294000     170.9096      3.5    
1 1 1 15 42 4  o 0.5718000      0.9562000     75.27550      28.8   
1 1 1 15 42 5  o 1.976000       0.9177000     227.1082      -168.9 
1 1 1 15 42 6  o 1.060000       0.8932000     52.10996      166.0  
1 1 1 15 42 7  o 0.6331000      0.7867000     39.77210      -143.7 
1 1 1 15 42 8  o 0.7025000      0.8300000     88.10218      -27.0  
1 1 1 15 42 9  o 0.1139000      0.8812000     69.09210      -159.6 
1 1 1 15 42 10 o -0.2621000     1.150000      81.21686      -175.2 
1 1 1 15 42 11 o -1.778000      0.9815000     117.8993      106.8  
1 1 1 15 42 12 o 0.4328000      1.016000      37.44426      109.4  
1 1 1 15 42 13 o -1.076000      1.015000      36.31910      -103.8 
1 1 1 15 42 14 o 0.3381000      1.232000      62.00756      62.5   
1 1 1 15 42 15 o 2.516000       1.306000      95.80436      -79.3  
1 1 1 15 42 16 o 2.340000       1.303000      74.48193      172.2  
1 1 1 15 42 17 o 1.225000       1.309000      27.35163      98.5   
1 1 1 15 42 18 o 2.019000       1.311000      65.73737      140.3  
1 1 1 15 42 19 o 0.9186000      1.274000      61.42877      152.1  
1 1 1 15 42 20 o 0.9359000      1.289000      41.36737      38.9   
1 1 1 15 42 21 o 1.252000       1.358000      130.7151      -45.1  
1 1 1 15 42 22 o -0.1696000     1.483000      36.06989      84.6   
1 1 1 15 42 23 o 2.750000       1.514000      5.116552      -171.5 
1 1 1 15 42 24 o 3.419000       2.016000      53.22541      -169.9 
1 1 1 15 42 25 o 1.525000       1.597000      65.18303      11.0   
1 1 1 15 42 26 o 3.054000       1.559000      109.8219      -7.7   
1 1 1 15 42 27 o -1.192000      2.226000      34.72882      -153.3 
1 1 1 15 42 28 o -2.049000      1.290000      11.46580      159.3  
1 1 1 15 42 29 o 0.1982000      1.283000      70.63239      52.1   
1 1 1 15 42 30 o -0.7696000     1.272000      92.46951      -12.4  
1 1 1 15 42 31 o -0.3413000     1.262000      54.12201      -134.0 
1 1 1 15 42 32 o 0.1063000      1.236000      77.70985      -38.5  
1 1 1 15 42 33 o 0.8147000      1.251000      54.85691      128.3  
1 1 1 15 42 34 o 0.5036000E-01  1.211000      ?             ?      
1 1 1 15 42 35 o 2.661000       1.227000      ?             ?      
1 1 1 15 42 36 o 2.217000       1.224000      ?             ?      
1 1 1 15 42 37 o 1.962000       1.138000      ?             ?      
1 1 1 15 42 38 o 1.131000       1.196000      ?             ?      
1 1 1 15 42 39 o 0.7798000      0.8988000     ?             ?      
1 1 1 15 42 40 o 0.7367000      0.9120000     ?             ?      
1 1 1 15 42 41 o 0.4650000      0.9170000     ?             ?      
1 1 1 15 42 42 o -1.408000      1.010000      ?             ?      
1 1 1 15 42 43 o 1.316000       0.9742000     ?             ?      
1 1 1 15 42 44 o 0.7868000      0.9250000     ?             ?      
1 1 1 15 42 45 o 1.477000       0.9337000     ?             ?      
1 1 1 15 42 46 o -0.4302000E-01 1.066000      ?             ?      
1 1 1 15 42 47 o 0.4102000      1.135000      ?             ?      
1 1 1 15 42 48 o 0.9462000      1.055000      ?             ?      
1 1 1 15 42 49 o 1.362000       1.060000      ?             ?      
1 1 1 15 42 50 o 1.621000       0.9913000     ?             ?      
1 1 1 15 42 51 o 0.5690000      1.054000      ?             ?      
1 1 1 15 42 52 o 1.149000       1.205000      ?             ?      
1 1 1 15 42 53 o 0.1082000      1.234000      ?             ?      
1 1 1 15 42 54 o -0.6512000     1.245000      ?             ?      
1 1 1 15 42 55 o 1.461000       1.447000      ?             ?      
1 1 1 15 42 56 o -1.074000      2.084000      ?             ?      
1 1 1 15 43 0  o -0.3029000     1.345000      65.03441      90.0   
1 1 1 15 43 1  o 0.5298000      0.8973000     48.79396      43.4   
1 1 1 15 43 2  o -0.7710000     0.8839000     77.51598      72.5   
1 1 1 15 43 3  o -0.2718000     0.9154000     76.66113      31.8   
1 1 1 15 43 4  o 0.5113000      0.9703000     32.89044      -143.3 
1 1 1 15 43 5  o -0.3847000     0.9222000     47.93956      -37.9  
1 1 1 15 43 6  o 0.4819000      0.8416000     18.46724      -122.8 
1 1 1 15 43 7  o 0.1137000      0.8538000     86.44809      64.2   
1 1 1 15 43 8  o 4.237000       0.9008000     97.53880      -91.8  
1 1 1 15 43 9  o 0.7520000      0.8582000     34.08633      -58.6  
1 1 1 15 43 10 o -0.6191000     0.9945000     83.30025      -133.0 
1 1 1 15 43 11 o 0.7524000      1.009000      89.50243      -61.4  
1 1 1 15 43 12 o -0.3180000     1.049000      87.96519      115.4  
1 1 1 15 43 13 o 1.707000       1.254000      119.1759      -173.1 
1 1 1 15 43 14 o 1.198000       1.329000      114.5041      112.6  
1 1 1 15 43 15 o -1.074000      1.289000      88.60485      117.5  
1 1 1 15 43 16 o -1.650000      1.300000      10.82454      -128.2 
1 1 1 15 43 17 o -0.1054000     1.327000      72.16478      -37.6  
1 1 1 15 43 18 o 0.3382000      1.333000      79.38572      -173.6 
1 1 1 15 43 19 o 0.6102000      1.418000      83.24524      173.5  
1 1 1 15 43 20 o 0.3971000E-01  1.473000      53.78639      -60.9  
1 1 1 15 43 21 o 2.159000       1.479000      76.72963      -25.8  
1 1 1 15 43 22 o 3.493000       1.575000      70.92565      6.4    
1 1 1 15 43 23 o 0.7146000      2.000000      43.59066      136.3  
1 1 1 15 43 24 o -0.2716000     2.027000      135.7540      4.3    
1 1 1 15 43 25 o 0.1258000      1.563000      40.25732      -0.3   
1 1 1 15 43 26 o 4.094000       2.240000      118.8225      175.5  
1 1 1 15 43 27 o -1.527000      2.297000      72.84367      -3.9   
1 1 1 15 43 28 o 1.242000       1.587000      85.56381      120.3  
1 1 1 15 43 29 o 2.265000       1.292000      106.6940      169.1  
1 1 1 15 43 30 o -0.8753000     1.245000      48.67449      -123.3 
1 1 1 15 43 31 o -1.746000      1.240000      47.99604      -87.5  
1 1 1 15 43 32 o -0.4956000     1.219000      ?             ?      
1 1 1 15 43 33 o 0.8823000      1.215000      ?             ?      
1 1 1 15 43 34 o 1.275000       1.201000      ?             ?      
1 1 1 15 43 35 o 2.737000       1.238000      ?             ?      
1 1 1 15 43 36 o 2.157000       1.200000      ?             ?      
1 1 1 15 43 37 o 0.6221000      1.216000      ?             ?      
1 1 1 15 43 38 o 1.414000       1.182000      ?             ?      
1 1 1 15 43 39 o 0.2407000      1.131000      ?             ?      
1 1 1 15 43 40 o 0.9361000      0.9296000     ?             ?      
1 1 1 15 43 41 o 2.566000       1.006000      ?             ?      
1 1 1 15 43 42 o -1.008000      1.011000      ?             ?      
1 1 1 15 43 43 o -0.1002000     0.9163000     ?             ?      
1 1 1 15 43 44 o -0.1193000     0.9015000     ?             ?      
1 1 1 15 43 45 o 0.6156000      0.9098000     ?             ?      
1 1 1 15 43 46 o -0.7525000     0.9082000     ?             ?      
1 1 1 15 43 47 o -2.256000      1.056000      ?             ?      
1 1 1 15 43 48 o 0.1086000      1.151000      ?             ?      
1 1 1 15 43 49 o 0.4323000      1.049000      ?             ?      
1 1 1 15 43 50 o -0.2842000     0.9643000     ?             ?      
1 1 1 15 43 51 o 0.4741000      1.081000      ?             ?      
1 1 1 15 43 52 o -0.6374000     1.101000      ?             ?      
1 1 1 15 43 53 o 0.2025000      1.231000      ?             ?      
1 1 1 15 43 54 o -1.759000      1.228000      ?             ?      
1 1 1 15 43 55 o 1.779000       1.533000      ?             ?      
1 1 1 15 44 0  o 2.774000       1.354000      9.743145      -90.0  
1 1 1 15 44 1  o 0.6410000      0.8952000     47.76515      -141.5 
1 1 1 15 44 2  o 3.360000       0.9505000     130.3195      80.4   
1 1 1 15 44 3  o 0.7794000      1.011000      51.85975      11.3   
1 1 1 15 44 4  o -0.2813000     0.9463000     42.80808      -45.1  
1 1 1 15 44 5  o 1.623000       0.9285000     138.8284      -4.5   
1 1 1 15 44 6  o 4.399000       0.8805000     158.2614      95.6   
1 1 1 15 44 7  o 0.9510000      0.8873000     34.13143      118.6  
1 1 1 15 44 8  o 1.421000       0.8909000     90.65145      17.9   
1 1 1 15 44 9  o 1.274000       0.8423000     118.0171      -71.4  
1 1 1 15 44 10 o -0.3086000     1.076000      71.17461      53.7   
1 1 1 15 44 11 o 1.853000       1.045000      140.1496      -80.6  
1 1 1 15 44 12 o -1.018000      1.279000      60.77105      97.2   
1 1 1 15 44 13 o -0.5750000     1.288000      97.93680      -112.2 
1 1 1 15 44 14 o 3.028000       1.384000      30.17561      168.8  
1 1 1 15 44 15 o -0.5047000     1.349000      58.42137      -110.8 
1 1 1 15 44 16 o 2.660000       1.395000      82.75369      -13.9  
1 1 1 15 44 17 o -2.357000      1.423000      62.72584      -177.2 
1 1 1 15 44 18 o 2.045000       1.407000      103.3445      -125.1 
1 1 1 15 44 19 o 3.057000       1.483000      71.41261      8.6    
1 1 1 15 44 20 o 4.646000       1.544000      153.4945      3.4    
1 1 1 15 44 21 o 4.149000       1.539000      53.98734      -0.5   
1 1 1 15 44 22 o 0.4245000      1.595000      134.9018      -137.5 
1 1 1 15 44 23 o 7.556000       2.134000      159.7528      93.4   
1 1 1 15 44 24 o -0.8598000E-01 1.564000      51.70315      -146.1 
1 1 1 15 44 25 o 3.078000       1.638000      173.6625      -31.3  
1 1 1 15 44 26 o 2.161000       2.285000      69.75557      146.4  
1 1 1 15 44 27 o -0.6507000     1.038000      73.94785      -68.0  
1 1 1 15 44 28 o 2.397000       1.593000      116.3014      18.2   
1 1 1 15 44 29 o 2.055000       1.617000      143.9694      -75.1  
1 1 1 15 44 30 o 1.881000       1.235000      ?             ?      
1 1 1 15 44 31 o -0.9127000     1.249000      ?             ?      
1 1 1 15 44 32 o 2.596000       1.223000      ?             ?      
1 1 1 15 44 33 o 0.8785000      1.209000      ?             ?      
1 1 1 15 44 34 o 0.3725000      1.198000      ?             ?      
1 1 1 15 44 35 o 0.2376000      1.173000      ?             ?      
1 1 1 15 44 36 o 2.273000       1.137000      ?             ?      
1 1 1 15 44 37 o 1.261000       1.183000      ?             ?      
1 1 1 15 44 38 o 1.845000       1.169000      ?             ?      
1 1 1 15 44 39 o 0.4845000      1.300000      ?             ?      
1 1 1 15 44 40 o 2.493000       1.286000      ?             ?      
1 1 1 15 44 41 o 1.636000       1.247000      ?             ?      
1 1 1 15 44 42 o 1.255000       0.8846000     ?             ?      
1 1 1 15 44 43 o -0.9137000     0.8831000     ?             ?      
1 1 1 15 44 44 o 0.2994000      0.8685000     ?             ?      
1 1 1 15 44 45 o -0.8396000     0.8905000     ?             ?      
1 1 1 15 44 46 o 0.3975000      0.9222000     ?             ?      
1 1 1 15 44 47 o -0.1268000     1.010000      ?             ?      
1 1 1 15 44 48 o -0.5487000E-01 1.104000      ?             ?      
1 1 1 15 44 49 o 0.6390000      1.286000      ?             ?      
1 1 1 15 44 50 o -0.7737000     1.204000      ?             ?      
1 1 1 15 44 51 o 0.4414000      1.083000      ?             ?      
1 1 1 15 44 52 o 1.037000       1.089000      ?             ?      
1 1 1 15 44 53 o 2.268000       1.009000      ?             ?      
1 1 1 15 44 54 o 0.7139000      1.262000      ?             ?      
1 1 1 15 45 0  o 1.776000       1.343000      65.55543      -90.0  
1 1 1 15 45 1  o -1.462000      0.8848000     77.93533      -14.1  
1 1 1 15 45 2  o -0.2532000     0.9298000     18.58907      9.2    
1 1 1 15 45 3  o -0.4345000     1.016000      71.20482      102.7  
1 1 1 15 45 4  o 5.125000       1.011000      215.7750      141.9  
1 1 1 15 45 5  o 2.148000       0.8907000     143.2518      146.9  
1 1 1 15 45 6  o 0.6954000      0.8672000     131.8728      90.6   
1 1 1 15 45 7  o 2.794000       0.9098000     209.1469      92.3   
1 1 1 15 45 8  o 0.2173000      0.8584000     95.10284      126.2  
1 1 1 15 45 9  o 0.2611000      0.8204000     113.3889      -155.9 
1 1 1 15 45 10 o 2.189000       1.357000      90.43840      -19.7  
1 1 1 15 45 11 o -0.9129000     1.099000      57.84896      52.1   
1 1 1 15 45 12 o 2.597000       1.139000      189.8036      -152.2 
1 1 1 15 45 13 o 0.6831000      1.348000      178.5397      -175.8 
1 1 1 15 45 14 o 0.4384000      1.429000      171.8337      41.0   
1 1 1 15 45 15 o 0.7622000      1.412000      46.16989      142.9  
1 1 1 15 45 16 o 0.2481000      1.562000      49.09531      -85.5  
1 1 1 15 45 17 o 2.602000       1.474000      197.6787      44.1   
1 1 1 15 45 18 o 2.058000       1.452000      129.7926      -165.0 
1 1 1 15 45 19 o 1.204000       1.445000      144.5606      95.7   
1 1 1 15 45 20 o -0.6367000     1.475000      96.82803      -2.7   
1 1 1 15 45 21 o -0.7051000     1.506000      124.2740      -43.5  
1 1 1 15 45 22 o 1.300000       1.992000      64.63671      -102.5 
1 1 1 15 45 23 o 3.487000       2.036000      84.86724      127.7  
1 1 1 15 45 24 o 1.026000       1.582000      109.9523      36.4   
1 1 1 15 45 25 o 1.613000       2.362000      225.4891      -117.1 
1 1 1 15 45 26 o 1.464000       2.256000      95.09991      5.3    
1 1 1 15 45 27 o 3.901000       1.575000      95.01646      67.2   
1 1 1 15 45 28 o -1.568000      1.553000      ?             ?      
1 1 1 15 45 29 o -0.3829000     1.558000      ?             ?      
1 1 1 15 45 30 o 0.4211000      1.584000      ?             ?      
1 1 1 15 45 31 o 4.259000       1.240000      ?             ?      
1 1 1 15 45 32 o -2.126000      1.202000      ?             ?      
1 1 1 15 45 33 o -0.1651000     1.182000      ?             ?      
1 1 1 15 45 34 o -0.7135000     1.167000      ?             ?      
1 1 1 15 45 35 o -0.8706000E-01 1.160000      ?             ?      
1 1 1 15 45 36 o 0.2212000      1.148000      ?             ?      
1 1 1 15 45 37 o -1.246000      1.110000      ?             ?      
1 1 1 15 45 38 o -0.3332000E-01 1.131000      ?             ?      
1 1 1 15 45 39 o -1.037000      1.290000      ?             ?      
1 1 1 15 45 40 o 4.645000       1.257000      ?             ?      
1 1 1 15 45 41 o -0.5310000     1.306000      ?             ?      
1 1 1 15 45 42 o -0.2507000     1.273000      ?             ?      
1 1 1 15 45 43 o 0.3438000      0.8735000     ?             ?      
1 1 1 15 45 44 o -0.3435000     0.8603000     ?             ?      
1 1 1 15 45 45 o -0.1878000     0.8798000     ?             ?      
1 1 1 15 45 46 o 0.7053000      0.8979000     ?             ?      
1 1 1 15 45 47 o -0.4409000     0.9102000     ?             ?      
1 1 1 15 45 48 o -1.128000      1.132000      ?             ?      
1 1 1 15 45 49 o -0.4902000     1.239000      ?             ?      
1 1 1 15 45 50 o -0.6605000     1.297000      ?             ?      
1 1 1 15 45 51 o 0.6004000      1.046000      ?             ?      
1 1 1 15 45 52 o -1.024000      1.086000      ?             ?      
1 1 1 15 45 53 o 1.018000       1.249000      ?             ?      
1 1 1 15 46 0  f -0.3387000     1.581000      43.88359      90.0   
1 1 1 15 46 1  o -0.1003000     0.9684000     25.41245      -117.6 
1 1 1 15 46 2  o 2.780000       1.064000      199.9514      -164.2 
1 1 1 15 46 3  o 1.679000       1.019000      242.2276      -86.5  
1 1 1 15 46 4  o 3.814000       0.9569000     270.7010      -160.6 
1 1 1 15 46 5  o 1.425000       0.9084000     208.9213      -117.6 
1 1 1 15 46 6  o 2.784000       0.9339000     191.3769      151.7  
1 1 1 15 46 7  o 2.189000       1.103000      150.3899      -23.0  
1 1 1 15 46 8  o 0.7421000      0.9711000     144.7355      -13.1  
1 1 1 15 46 9  o 2.816000       0.8529000     166.9412      -94.0  
1 1 1 15 46 10 o 1.935000       1.186000      158.0007      70.4   
1 1 1 15 46 11 o 1.632000       1.313000      109.5030      -93.9  
1 1 1 15 46 12 o -1.261000      1.221000      61.00532      22.3   
1 1 1 15 46 13 o -0.2201000     1.397000      165.2061      -88.8  
1 1 1 15 46 14 o 3.971000       1.812000      158.5492      178.9  
1 1 1 15 46 15 o 0.9430000      1.455000      124.2127      149.0  
1 1 1 15 46 16 o -0.4992000     1.437000      91.69048      102.5  
1 1 1 15 46 17 o -1.891000      1.429000      23.28226      133.0  
1 1 1 15 46 18 o -0.7386000     1.447000      54.08541      66.8   
1 1 1 15 46 19 o 3.951000       1.512000      163.7007      29.8   
1 1 1 15 46 20 o -0.5260000     1.497000      108.1797      1.0    
1 1 1 15 46 21 o 0.7007000      1.948000      92.39255      -42.4  
1 1 1 15 46 22 o 3.937000       2.070000      213.5740      -26.5  
1 1 1 15 46 23 o 1.330000       1.568000      186.5962      62.2   
1 1 1 15 46 24 o 4.829000       1.597000      238.9120      -58.8  
1 1 1 15 46 25 o 5.850000       2.326000      211.1355      -29.1  
1 1 1 15 46 26 o -4.305000      2.161000      ?             ?      
1 1 1 15 46 27 o -0.5439000     1.520000      ?             ?      
1 1 1 15 46 28 o 1.602000       1.535000      ?             ?      
1 1 1 15 46 29 o 6.763000       1.612000      ?             ?      
1 1 1 15 46 30 o 2.838000       1.559000      ?             ?      
1 1 1 15 46 31 o -0.2876000     1.511000      ?             ?      
1 1 1 15 46 32 o 0.9993000E-01  1.494000      ?             ?      
1 1 1 15 46 33 o 1.498000       1.172000      ?             ?      
1 1 1 15 46 34 o 2.162000       1.198000      ?             ?      
1 1 1 15 46 35 o -0.1227000     1.154000      ?             ?      
1 1 1 15 46 36 o -0.5340000     1.161000      ?             ?      
1 1 1 15 46 37 o 0.2991000      1.167000      ?             ?      
1 1 1 15 46 38 o 0.8978000      1.270000      ?             ?      
1 1 1 15 46 39 o -0.3727000E-01 1.247000      ?             ?      
1 1 1 15 46 40 o 1.190000       1.214000      ?             ?      
1 1 1 15 46 41 o 0.7488000E-01  1.285000      ?             ?      
1 1 1 15 46 42 o -0.7859000     1.146000      ?             ?      
1 1 1 15 46 43 o -0.1237000     1.112000      ?             ?      
1 1 1 15 46 44 o 1.290000       1.172000      ?             ?      
1 1 1 15 46 45 o 0.4345000      0.8599000     ?             ?      
1 1 1 15 46 46 o 1.233000       0.8879000     ?             ?      
1 1 1 15 46 47 o -1.674000      0.8873000     ?             ?      
1 1 1 15 46 48 o 0.5960000      0.9163000     ?             ?      
1 1 1 15 46 49 o -0.5277000     1.020000      ?             ?      
1 1 1 15 46 50 o 1.049000       1.283000      ?             ?      
1 1 1 15 46 51 o 1.036000       1.289000      ?             ?      
1 1 1 15 46 52 o 2.107000       1.372000      ?             ?      
1 1 1 15 47 0  o 10.15000       1.745000      324.7783      -90.0  
1 1 1 15 47 1  o 2.695000       1.012000      328.8779      -12.8  
1 1 1 15 47 2  o -0.7984000     1.055000      54.00356      -81.2  
1 1 1 15 47 3  o 0.7277000      1.000000      168.5241      -118.8 
1 1 1 15 47 4  o 1.497000       1.037000      186.3516      40.3   
1 1 1 15 47 5  o 2.397000       1.026000      136.0089      -88.6  
1 1 1 15 47 6  o -0.8996000     0.9216000     99.87461      62.3   
1 1 1 15 47 7  o -1.036000      1.050000      116.3125      41.5   
1 1 1 15 47 8  o 0.1450000      0.9690000     94.52966      154.1  
1 1 1 15 47 9  o 4.183000       0.8848000     260.3905      -24.9  
1 1 1 15 47 10 o 0.4839000      1.272000      163.5776      39.8   
1 1 1 15 47 11 o 0.8964000      1.123000      123.0517      -148.5 
1 1 1 15 47 12 o -0.4838000     1.123000      98.96576      -103.4 
1 1 1 15 47 13 o 0.3459000      1.391000      89.44492      40.9   
1 1 1 15 47 14 o 0.5006000      1.447000      83.50622      26.6   
1 1 1 15 47 15 o 5.662000       1.182000      338.0337      -169.6 
1 1 1 15 47 16 o 0.1592000      1.426000      111.1702      135.4  
1 1 1 15 47 17 o -0.2256000     1.446000      56.01247      36.6   
1 1 1 15 47 18 o 8.420000       1.535000      246.2081      -173.9 
1 1 1 15 47 19 o 1.308000       1.495000      57.36274      85.0   
1 1 1 15 47 20 o 1.063000       1.505000      135.7403      32.7   
1 1 1 15 47 21 o 5.114000       2.064000      260.6734      75.5   
1 1 1 15 47 22 o 0.5720000      2.055000      165.4398      -109.9 
1 1 1 15 47 23 o 4.057000       1.544000      ?             ?      
1 1 1 15 47 24 o -2.618000      2.151000      ?             ?      
1 1 1 15 47 25 o -1.294000      2.148000      ?             ?      
1 1 1 15 47 26 o 0.7304000      1.487000      ?             ?      
1 1 1 15 47 27 o -0.4327000     1.473000      ?             ?      
1 1 1 15 47 28 o -0.9184000     1.476000      ?             ?      
1 1 1 15 47 29 o -1.090000      1.486000      ?             ?      
1 1 1 15 47 30 o -0.1096000     1.499000      ?             ?      
1 1 1 15 47 31 o 1.858000       1.514000      ?             ?      
1 1 1 15 47 32 o 3.424000       1.499000      ?             ?      
1 1 1 15 47 33 o 0.9798000      1.529000      ?             ?      
1 1 1 15 47 34 o -0.5648000     1.152000      ?             ?      
1 1 1 15 47 35 o -0.9270000E-02 1.172000      ?             ?      
1 1 1 15 47 36 o 1.390000       1.179000      ?             ?      
1 1 1 15 47 37 o 0.2038000      1.164000      ?             ?      
1 1 1 15 47 38 o 2.711000       1.316000      ?             ?      
1 1 1 15 47 39 o -1.059000      1.139000      ?             ?      
1 1 1 15 47 40 o -0.4920000     1.225000      ?             ?      
1 1 1 15 47 41 o 0.6279000      1.243000      ?             ?      
1 1 1 15 47 42 o 1.010000       1.178000      ?             ?      
1 1 1 15 47 43 o -0.8224000     1.162000      ?             ?      
1 1 1 15 47 44 o 0.6205000      1.182000      ?             ?      
1 1 1 15 47 45 o 0.7458000      1.167000      ?             ?      
1 1 1 15 47 46 o -0.4409000     1.170000      ?             ?      
1 1 1 15 47 47 o -0.4790000     0.8707000     ?             ?      
1 1 1 15 47 48 o 1.545000       1.008000      ?             ?      
1 1 1 15 47 49 o -0.3415000     0.9156000     ?             ?      
1 1 1 15 47 50 o 2.311000       1.154000      ?             ?      
1 1 1 15 47 51 o 2.536000       1.598000      ?             ?      
1 1 1 15 48 0  o 2.788000       1.922000      90.28606      -90.0  
1 1 1 15 48 1  o 5.542000       1.278000      370.9760      -74.1  
1 1 1 15 48 2  o 5.552000       1.267000      261.5140      118.3  
1 1 1 15 48 3  o 4.655000       1.168000      210.1209      -43.4  
1 1 1 15 48 4  o 3.846000       1.012000      137.7894      -65.0  
1 1 1 15 48 5  o -0.4641000     1.102000      151.8690      83.5   
1 1 1 15 48 6  o 0.4642000      0.9738000     128.2001      171.7  
1 1 1 15 48 7  o 0.4790000      1.017000      135.6311      38.6   
1 1 1 15 48 8  o 4.660000       1.023000      281.8498      49.9   
1 1 1 15 48 9  o 2.054000       0.8645000     168.6505      -58.3  
1 1 1 15 48 10 o 1.325000       1.150000      251.9920      57.3   
1 1 1 15 48 11 o 1.193000       1.132000      131.0022      172.2  
1 1 1 15 48 12 o 2.827000       1.107000      159.5540      1.9    
1 1 1 15 48 13 o 0.9667000      1.491000      176.3652      -159.4 
1 1 1 15 48 14 o 6.666000       1.487000      312.5506      -167.0 
1 1 1 15 48 15 o 0.2088000      1.448000      95.21049      149.1  
1 1 1 15 48 16 o 2.989000       1.434000      167.5878      19.3   
1 1 1 15 48 17 o 1.499000       1.442000      163.2575      59.6   
1 1 1 15 48 18 o -1.183000      1.427000      124.9589      118.2  
1 1 1 15 48 19 f -1.344000      1.427000      101.1290      -153.4 
1 1 1 15 48 20 o -0.8039000     1.889000      ?             ?      
1 1 1 15 48 21 o 3.097000       1.987000      ?             ?      
1 1 1 15 48 22 o 1.387000       1.527000      ?             ?      
1 1 1 15 48 23 o 0.4024000E-01  1.502000      ?             ?      
1 1 1 15 48 24 o 4.433000       2.131000      ?             ?      
1 1 1 15 48 25 o 8.123000       2.178000      ?             ?      
1 1 1 15 48 26 o -0.4453000     1.465000      ?             ?      
1 1 1 15 48 27 o 1.173000       1.475000      ?             ?      
1 1 1 15 48 28 o 2.855000       1.491000      ?             ?      
1 1 1 15 48 29 o 3.208000       1.506000      ?             ?      
1 1 1 15 48 30 o 0.8178000      1.466000      ?             ?      
1 1 1 15 48 31 o 2.523000       1.466000      ?             ?      
1 1 1 15 48 32 o 2.757000       1.508000      ?             ?      
1 1 1 15 48 33 o 2.595000       1.558000      ?             ?      
1 1 1 15 48 34 o 2.199000       1.535000      ?             ?      
1 1 1 15 48 35 o 2.006000       1.200000      ?             ?      
1 1 1 15 48 36 o 0.1591000      1.155000      ?             ?      
1 1 1 15 48 37 o 1.353000       1.344000      ?             ?      
1 1 1 15 48 38 o 2.030000       1.316000      ?             ?      
1 1 1 15 48 39 o 0.9189000E-01  1.157000      ?             ?      
1 1 1 15 48 40 o -0.6932000     1.300000      ?             ?      
1 1 1 15 48 41 o -0.2486000     1.106000      ?             ?      
1 1 1 15 48 42 o -0.3057000E-02 1.115000      ?             ?      
1 1 1 15 48 43 o 1.184000       1.118000      ?             ?      
1 1 1 15 48 44 o 1.814000       1.211000      ?             ?      
1 1 1 15 48 45 o -2.179000      1.154000      ?             ?      
1 1 1 15 48 46 o 2.330000       2.032000      ?             ?      
1 1 1 15 48 47 o 0.7206000      1.185000      ?             ?      
1 1 1 15 48 48 o 0.9020000      0.9684000     ?             ?      
1 1 1 15 48 49 o -0.3039000     1.263000      ?             ?      
1 1 1 15 48 50 o 0.9602000      1.286000      ?             ?      
1 1 1 15 49 0  o 4.388000       2.068000      182.2913      90.0   
1 1 1 15 49 1  o 13.65000       1.774000      493.1744      -34.2  
1 1 1 15 49 2  o 1.891000       1.561000      223.5033      173.6  
1 1 1 15 49 3  o 5.624000       1.001000      311.6847      126.5  
1 1 1 15 49 4  o 0.1780000      1.021000      163.2637      89.8   
1 1 1 15 49 5  o 3.451000       1.094000      269.6628      -26.5  
1 1 1 15 49 6  o 2.590000       1.180000      308.7388      131.9  
1 1 1 15 49 7  o 2.540000       0.9242000     238.4486      43.0   
1 1 1 15 49 8  o -0.3006000     1.016000      64.48585      152.9  
1 1 1 15 49 9  o 0.9240000      0.8735000     84.26328      -69.0  
1 1 1 15 49 10 o 4.472000       1.163000      283.1584      24.5   
1 1 1 15 49 11 o 0.3216000      1.129000      44.06681      -9.0   
1 1 1 15 49 12 o -0.4645000     1.088000      105.5824      -2.6   
1 1 1 15 49 13 o 0.3081000      1.480000      84.10967      91.1   
1 1 1 15 49 14 o -0.1347000     1.438000      70.67754      70.7   
1 1 1 15 49 15 o 3.864000       1.462000      283.5454      -133.2 
1 1 1 15 49 16 o 0.7619000      1.397000      62.61646      132.9  
1 1 1 15 49 17 o 0.4808000      1.401000      ?             ?      
1 1 1 15 49 18 o -0.5997000     1.397000      ?             ?      
1 1 1 15 49 19 o -1.767000      1.448000      ?             ?      
1 1 1 15 49 20 o 8.130000       2.046000      ?             ?      
1 1 1 15 49 21 o 1.415000       1.973000      ?             ?      
1 1 1 15 49 22 o 3.062000       1.476000      ?             ?      
1 1 1 15 49 23 o 5.148000       2.113000      ?             ?      
1 1 1 15 49 24 o 5.604000       2.085000      ?             ?      
1 1 1 15 49 25 o -1.027000      1.454000      ?             ?      
1 1 1 15 49 26 o 1.045000       1.458000      ?             ?      
1 1 1 15 49 27 o 0.9418000      1.470000      ?             ?      
1 1 1 15 49 28 o 5.401000       1.534000      ?             ?      
1 1 1 15 49 29 o 1.531000       1.495000      ?             ?      
1 1 1 15 49 30 o 5.487000       1.526000      ?             ?      
1 1 1 15 49 31 o 2.130000       1.518000      ?             ?      
1 1 1 15 49 32 o 1.581000       1.534000      ?             ?      
1 1 1 15 49 33 o 1.741000       1.530000      ?             ?      
1 1 1 15 49 34 o 0.7286000      1.512000      ?             ?      
1 1 1 15 49 35 o 2.403000       1.573000      ?             ?      
1 1 1 15 49 36 o 5.060000       2.170000      ?             ?      
1 1 1 15 49 37 o 1.934000       1.293000      ?             ?      
1 1 1 15 49 38 o -0.1601000     1.170000      ?             ?      
1 1 1 15 49 39 o -1.162000      1.349000      ?             ?      
1 1 1 15 49 40 o -1.771000      1.315000      ?             ?      
1 1 1 15 49 41 o -0.2564000     1.132000      ?             ?      
1 1 1 15 49 42 o 1.786000       1.142000      ?             ?      
1 1 1 15 49 43 o -2.189000      1.162000      ?             ?      
1 1 1 15 49 44 o 0.8645000      1.131000      ?             ?      
1 1 1 15 49 45 o -0.8264000     1.133000      ?             ?      
1 1 1 15 49 46 o 0.9220000      1.217000      ?             ?      
1 1 1 15 49 47 o 4.961000       2.488000      ?             ?      
1 1 1 15 49 48 o 1.138000       1.476000      ?             ?      
1 1 1 15 50 0  o 5.932000       3.263000      339.8166      90.0   
1 1 1 15 50 1  o -0.7443000     1.987000      161.5566      81.9   
1 1 1 15 50 2  o 2.513000       1.218000      98.41801      159.2  
1 1 1 15 50 3  o 7.468000       1.019000      453.3273      -75.1  
1 1 1 15 50 4  o 6.901000       1.147000      406.2925      164.2  
1 1 1 15 50 5  o 1.046000       1.090000      102.8882      -135.8 
1 1 1 15 50 6  o 0.1165000      0.9947000     22.12844      123.4  
1 1 1 15 50 7  o 3.827000       0.9217000     391.3527      -14.1  
1 1 1 15 50 8  o 2.926000       0.8687000     166.6351      87.1   
1 1 1 15 50 9  o 3.453000       0.8520000     206.1934      134.5  
1 1 1 15 50 10 o 0.1188000      1.139000      72.18095      -178.0 
1 1 1 15 50 11 o 0.3451000      1.123000      96.90868      76.7   
1 1 1 15 50 12 o 4.136000       1.409000      ?             ?      
1 1 1 15 50 13 o 4.799000       1.509000      ?             ?      
1 1 1 15 50 14 o -0.2797000     1.137000      ?             ?      
1 1 1 15 50 15 o 0.9192000      1.370000      ?             ?      
1 1 1 15 50 16 o 4.108000       1.396000      ?             ?      
1 1 1 15 50 17 o 2.094000       1.404000      ?             ?      
1 1 1 15 50 18 o 3.065000       1.434000      ?             ?      
1 1 1 15 50 19 o 4.080000       1.934000      ?             ?      
1 1 1 15 50 20 o -0.5721000     1.908000      ?             ?      
1 1 1 15 50 21 o -2.162000      1.411000      ?             ?      
1 1 1 15 50 22 o 3.357000       1.432000      ?             ?      
1 1 1 15 50 23 o 0.9189000      2.026000      ?             ?      
1 1 1 15 50 24 o 1.836000       2.044000      ?             ?      
1 1 1 15 50 25 o 10.27000       1.540000      ?             ?      
1 1 1 15 50 26 o 6.731000       1.498000      ?             ?      
1 1 1 15 50 27 o 1.396000       1.543000      ?             ?      
1 1 1 15 50 28 o -4.441000      1.533000      ?             ?      
1 1 1 15 50 29 o 6.142000       1.624000      ?             ?      
1 1 1 15 50 30 o 0.4718000      1.609000      ?             ?      
1 1 1 15 50 31 o 5.328000       1.641000      ?             ?      
1 1 1 15 50 32 o -0.8322000     1.611000      ?             ?      
1 1 1 15 50 33 o -0.3958000     1.600000      ?             ?      
1 1 1 15 50 34 o 2.566000       1.548000      ?             ?      
1 1 1 15 50 35 o 0.9514000      1.544000      ?             ?      
1 1 1 15 50 36 o 1.851000       2.103000      ?             ?      
1 1 1 15 50 37 o 2.000000       1.587000      ?             ?      
1 1 1 15 50 38 o 2.721000       1.389000      ?             ?      
1 1 1 15 50 39 o 0.4796000      1.355000      ?             ?      
1 1 1 15 50 40 o -0.2427000     1.151000      ?             ?      
1 1 1 15 50 41 o 2.234000       1.184000      ?             ?      
1 1 1 15 50 42 o 0.8340000      1.139000      ?             ?      
1 1 1 15 50 43 o 0.1928000      1.158000      ?             ?      
1 1 1 15 50 44 o 2.077000       1.156000      ?             ?      
1 1 1 15 50 45 o 1.952000       2.359000      ?             ?      
1 1 1 15 50 46 o 0.6993000      1.312000      ?             ?      
1 1 1 15 50 47 o 0.8621000E-02  1.224000      ?             ?      
1 1 1 15 51 0  o -2.545000      2.997000      145.2142      90.0   
1 1 1 15 51 1  o 5.373000       1.358000      505.4297      -63.7  
1 1 1 15 51 2  o 15.95000       1.625000      ?             ?      
1 1 1 15 51 3  o 0.8477000      1.008000      ?             ?      
1 1 1 15 51 4  o 0.4531000      1.041000      ?             ?      
1 1 1 15 51 5  o 0.4305000      1.118000      ?             ?      
1 1 1 15 51 6  o 4.420000       0.9295000     ?             ?      
1 1 1 15 51 7  o 0.3927000      0.9197000     ?             ?      
1 1 1 15 51 8  o 2.006000       0.8982000     ?             ?      
1 1 1 15 51 9  o 0.8526000      0.8772000     ?             ?      
1 1 1 15 51 10 o 3.911000       1.143000      ?             ?      
1 1 1 15 51 11 o 0.8696000      1.098000      ?             ?      
1 1 1 15 51 12 o 0.5855000      1.362000      ?             ?      
1 1 1 15 51 13 o 2.360000       1.431000      ?             ?      
1 1 1 15 51 14 o -0.6605000E-01 1.094000      ?             ?      
1 1 1 15 51 15 o 2.311000       1.360000      ?             ?      
1 1 1 15 51 16 o -0.8774000     1.350000      ?             ?      
1 1 1 15 51 17 o 1.035000       1.385000      ?             ?      
1 1 1 15 51 18 o 0.1012000E-01  1.386000      ?             ?      
1 1 1 15 51 19 o 1.921000       1.809000      ?             ?      
1 1 1 15 51 20 o 1.356000       1.409000      ?             ?      
1 1 1 15 51 21 o 1.907000       1.404000      ?             ?      
1 1 1 15 51 22 o 0.5606000      2.010000      ?             ?      
1 1 1 15 51 23 o 1.044000       1.973000      ?             ?      
1 1 1 15 51 24 o 3.517000       1.555000      ?             ?      
1 1 1 15 51 25 o -0.3429000     1.527000      ?             ?      
1 1 1 15 51 26 o -2.023000      1.518000      ?             ?      
1 1 1 15 51 27 o 0.3710000      1.525000      ?             ?      
1 1 1 15 51 28 o -1.181000      1.525000      ?             ?      
1 1 1 15 51 29 o 5.161000       1.612000      ?             ?      
1 1 1 15 51 30 o 8.073000       1.684000      ?             ?      
1 1 1 15 51 31 o 3.218000       1.613000      ?             ?      
1 1 1 15 51 32 o 1.047000       1.574000      ?             ?      
1 1 1 15 51 33 o 2.463000       1.591000      ?             ?      
1 1 1 15 51 34 o 2.395000       1.643000      ?             ?      
1 1 1 15 51 35 o 0.2468000      2.108000      ?             ?      
1 1 1 15 51 36 o 2.784000       2.179000      ?             ?      
1 1 1 15 51 37 o -1.173000      1.614000      ?             ?      
1 1 1 15 51 38 o 3.866000       2.237000      ?             ?      
1 1 1 15 51 39 o 0.9879000      2.211000      ?             ?      
1 1 1 15 51 40 o 0.3088000      1.172000      ?             ?      
1 1 1 15 51 41 o -0.2964000     1.184000      ?             ?      
1 1 1 15 51 42 o 0.6108000      1.267000      ?             ?      
1 1 1 15 51 43 o 0.7513000      1.356000      ?             ?      
1 1 1 15 51 44 o 1.472000       1.361000      ?             ?      
1 1 1 15 51 45 o -0.7347000     1.344000      ?             ?      
1 1 1 15 51 46 o 0.5492000      1.416000      ?             ?      
1 1 1 15 52 0  o 5.144000       2.981000      ?             ?      
1 1 1 15 52 1  o -0.6334000     1.139000      ?             ?      
1 1 1 15 52 2  o -0.2331000     1.302000      ?             ?      
1 1 1 15 52 3  o 10.12000       1.204000      ?             ?      
1 1 1 15 52 4  o 12.47000       1.110000      ?             ?      
1 1 1 15 52 5  o 3.635000       1.020000      ?             ?      
1 1 1 15 52 6  o 0.3248000      0.8905000     ?             ?      
1 1 1 15 52 7  o 0.2151000E-01  0.8388000     ?             ?      
1 1 1 15 52 8  o 2.460000       0.8438000     ?             ?      
1 1 1 15 52 9  o 0.3086000      0.8400000     ?             ?      
1 1 1 15 52 10 o -0.9789000     1.102000      ?             ?      
1 1 1 15 52 11 o 1.041000       1.090000      ?             ?      
1 1 1 15 52 12 o 2.783000       1.344000      ?             ?      
1 1 1 15 52 13 o 5.023000       1.472000      ?             ?      
1 1 1 15 52 14 o 4.374000       1.117000      ?             ?      
1 1 1 15 52 15 o 0.9078000      1.333000      ?             ?      
1 1 1 15 52 16 o 4.358000       1.370000      ?             ?      
1 1 1 15 52 17 o 1.430000       1.345000      ?             ?      
1 1 1 15 52 18 o 0.8743000      1.828000      ?             ?      
1 1 1 15 52 19 o 1.274000       1.774000      ?             ?      
1 1 1 15 52 20 o -0.1589000     1.352000      ?             ?      
1 1 1 15 52 21 o 3.883000       1.402000      ?             ?      
1 1 1 15 52 22 o 5.520000       2.145000      ?             ?      
1 1 1 15 52 23 o 3.016000       2.107000      ?             ?      
1 1 1 15 52 24 o -2.880000      1.510000      ?             ?      
1 1 1 15 52 25 o 6.180000       1.615000      ?             ?      
1 1 1 15 52 26 o 2.245000       1.541000      ?             ?      
1 1 1 15 52 27 o 1.326000       1.556000      ?             ?      
1 1 1 15 52 28 o 0.5100000E-01  1.546000      ?             ?      
1 1 1 15 52 29 o 3.238000       1.586000      ?             ?      
1 1 1 15 52 30 o 1.263000       1.589000      ?             ?      
1 1 1 15 52 31 o 1.009000       1.582000      ?             ?      
1 1 1 15 52 32 o 1.902000       1.582000      ?             ?      
1 1 1 15 52 33 o 3.350000       1.615000      ?             ?      
1 1 1 15 52 34 o -0.2761000     1.600000      ?             ?      
1 1 1 15 52 35 o -1.367000      2.078000      ?             ?      
1 1 1 15 52 36 o -3.073000      1.652000      ?             ?      
1 1 1 15 52 37 o 2.661000       2.262000      ?             ?      
1 1 1 15 52 38 o 3.315000       2.285000      ?             ?      
1 1 1 15 52 39 o 1.643000       1.623000      ?             ?      
1 1 1 15 52 40 o 2.026000       1.653000      ?             ?      
1 1 1 15 52 41 o 2.502000       1.683000      ?             ?      
1 1 1 15 52 42 o 0.2829000      1.463000      ?             ?      
1 1 1 15 52 43 o -1.596000      1.444000      ?             ?      
1 1 1 15 52 44 o 2.498000       2.394000      ?             ?      
1 1 1 15 53 0  o 0.5199000      1.666000      ?             ?      
1 1 1 15 53 1  o 6.680000       1.088000      ?             ?      
1 1 1 15 53 2  o -1.489000      0.9564000     ?             ?      
1 1 1 15 53 3  o 0.2815000E-01  0.8687000     ?             ?      
1 1 1 15 53 4  o -0.6243000     1.050000      ?             ?      
1 1 1 15 53 5  o -1.303000      1.057000      ?             ?      
1 1 1 15 53 6  o 0.2710000      0.8536000     ?             ?      
1 1 1 15 53 7  o 0.2937000      0.8093000     ?             ?      
1 1 1 15 53 8  o 1.054000       0.8104000     ?             ?      
1 1 1 15 53 9  o 0.2571000      0.8233000     ?             ?      
1 1 1 15 53 10 o 1.452000       1.043000      ?             ?      
1 1 1 15 53 11 o 1.066000       1.236000      ?             ?      
1 1 1 15 53 12 o 7.952000       1.939000      ?             ?      
1 1 1 15 53 13 o -1.806000      1.362000      ?             ?      
1 1 1 15 53 14 o 0.6386000      1.049000      ?             ?      
1 1 1 15 53 15 o -0.3522000     1.305000      ?             ?      
1 1 1 15 53 16 o 1.515000       1.335000      ?             ?      
1 1 1 15 53 17 o 2.561000       1.367000      ?             ?      
1 1 1 15 53 18 o 1.518000       1.786000      ?             ?      
1 1 1 15 53 19 o -0.3112000     1.383000      ?             ?      
1 1 1 15 53 20 o 1.202000       1.381000      ?             ?      
1 1 1 15 53 21 o -4.991000      2.038000      ?             ?      
1 1 1 15 53 22 o -3.892000      2.096000      ?             ?      
1 1 1 15 53 23 o -0.4186000     1.520000      ?             ?      
1 1 1 15 53 24 o 3.672000       1.544000      ?             ?      
1 1 1 15 53 25 o -0.7983000E-01 1.524000      ?             ?      
1 1 1 15 53 26 o -0.6867000     1.508000      ?             ?      
1 1 1 15 53 27 o 3.694000       1.543000      ?             ?      
1 1 1 15 53 28 o 1.760000       1.566000      ?             ?      
1 1 1 15 53 29 o -1.128000      1.532000      ?             ?      
1 1 1 15 53 30 o -0.4492000     1.539000      ?             ?      
1 1 1 15 53 31 o 5.273000       1.647000      ?             ?      
1 1 1 15 53 32 o -0.1948000     1.586000      ?             ?      
1 1 1 15 53 33 o 1.161000       1.581000      ?             ?      
1 1 1 15 53 34 o 1.792000       2.110000      ?             ?      
1 1 1 15 53 35 o 0.1554000      2.070000      ?             ?      
1 1 1 15 53 36 o 0.8669000      1.631000      ?             ?      
1 1 1 15 53 37 o 1.157000       2.253000      ?             ?      
1 1 1 15 53 38 o 2.602000       2.350000      ?             ?      
1 1 1 15 53 39 o 1.969000       1.698000      ?             ?      
1 1 1 15 53 40 o 0.4073000      1.288000      ?             ?      
1 1 1 15 53 41 o 2.217000       2.375000      ?             ?      
1 1 1 15 53 42 o -0.8707000     2.379000      ?             ?      
1 1 1 15 53 43 o 1.088000       1.743000      ?             ?      
1 1 1 15 54 0  o 0.1552000      1.438000      ?             ?      
1 1 1 15 54 1  o -0.6419000E-01 1.141000      ?             ?      
1 1 1 15 54 2  o -0.9089000     0.9361000     ?             ?      
1 1 1 15 54 3  o 2.325000       0.8541000     ?             ?      
1 1 1 15 54 4  o 1.401000       0.9394000     ?             ?      
1 1 1 15 54 5  o 2.929000       0.8695000     ?             ?      
1 1 1 15 54 6  o 2.636000       0.8224000     ?             ?      
1 1 1 15 54 7  o -0.1185000     0.8021000     ?             ?      
1 1 1 15 54 8  o 3.379000       0.8858000     ?             ?      
1 1 1 15 54 9  o -0.6812000     0.8635000     ?             ?      
1 1 1 15 54 10 o 0.1644000      0.9912000     ?             ?      
1 1 1 15 54 11 o -0.6874000E-01 1.041000      ?             ?      
1 1 1 15 54 12 o -1.317000      1.743000      ?             ?      
1 1 1 15 54 13 o 0.2734000      1.256000      ?             ?      
1 1 1 15 54 14 o -0.3823000E-01 1.171000      ?             ?      
1 1 1 15 54 15 o 0.9661000      1.902000      ?             ?      
1 1 1 15 54 16 o -0.9815000     1.892000      ?             ?      
1 1 1 15 54 17 o -0.6917000     1.818000      ?             ?      
1 1 1 15 54 18 o -0.1873000E-01 1.819000      ?             ?      
1 1 1 15 54 19 o -0.9048000E-01 1.365000      ?             ?      
1 1 1 15 54 20 o 0.3611000E-01  1.497000      ?             ?      
1 1 1 15 54 21 o -2.806000      2.066000      ?             ?      
1 1 1 15 54 22 o 5.963000       2.194000      ?             ?      
1 1 1 15 54 23 o 0.8566000      1.509000      ?             ?      
1 1 1 15 54 24 o 1.569000       1.517000      ?             ?      
1 1 1 15 54 25 o -1.885000      1.512000      ?             ?      
1 1 1 15 54 26 o 0.5931000E-01  1.524000      ?             ?      
1 1 1 15 54 27 o -0.1409000     1.540000      ?             ?      
1 1 1 15 54 28 o 2.533000       1.534000      ?             ?      
1 1 1 15 54 29 o -0.8197000     1.535000      ?             ?      
1 1 1 15 54 30 o 1.772000       1.528000      ?             ?      
1 1 1 15 54 31 o -1.244000      1.546000      ?             ?      
1 1 1 15 54 32 o 2.431000       1.579000      ?             ?      
1 1 1 15 54 33 o 1.004000       2.032000      ?             ?      
1 1 1 15 54 34 o -1.206000      1.303000      ?             ?      
1 1 1 15 54 35 o 1.009000       1.655000      ?             ?      
1 1 1 15 54 36 o -1.446000      2.232000      ?             ?      
1 1 1 15 54 37 o -0.4170000     2.321000      ?             ?      
1 1 1 15 54 38 o -1.772000      2.244000      ?             ?      
1 1 1 15 54 39 o 2.403000       2.316000      ?             ?      
1 1 1 15 54 40 o 3.811000       2.374000      ?             ?      
1 1 1 15 54 41 o -5.597000      2.451000      ?             ?      
1 1 1 15 55 0  o 2.300000       1.428000      ?             ?      
1 1 1 15 55 1  o 4.613000       1.136000      ?             ?      
1 1 1 15 55 2  o -1.488000      0.9937000     ?             ?      
1 1 1 15 55 3  o -1.139000      0.9299000     ?             ?      
1 1 1 15 55 4  o 0.2147000      0.9068000     ?             ?      
1 1 1 15 55 5  o 0.4190000      0.8445000     ?             ?      
1 1 1 15 55 6  o 1.794000       0.8094000     ?             ?      
1 1 1 15 55 7  o 3.916000       0.8126000     ?             ?      
1 1 1 15 55 8  o 0.7059000      0.7939000     ?             ?      
1 1 1 15 55 9  o 1.054000       0.8416000     ?             ?      
1 1 1 15 55 10 o 0.3526000      0.9873000     ?             ?      
1 1 1 15 55 11 o 1.132000       1.045000      ?             ?      
1 1 1 15 55 12 o 2.027000       1.405000      ?             ?      
1 1 1 15 55 13 o 0.6695000      1.062000      ?             ?      
1 1 1 15 55 14 o -0.3467000     1.014000      ?             ?      
1 1 1 15 55 15 o 3.779000       1.785000      ?             ?      
1 1 1 15 55 16 o 0.8925000E-01  1.785000      ?             ?      
1 1 1 15 55 17 o -0.3794000     1.806000      ?             ?      
1 1 1 15 55 18 o 0.4503000      2.114000      ?             ?      
1 1 1 15 55 19 o -0.8557000     2.049000      ?             ?      
1 1 1 15 55 20 o -0.1040000     2.091000      ?             ?      
1 1 1 15 55 21 o -0.2627000     2.047000      ?             ?      
1 1 1 15 55 22 o -0.4099000     1.522000      ?             ?      
1 1 1 15 55 23 o -2.810000      1.496000      ?             ?      
1 1 1 15 55 24 o -0.7909000     1.497000      ?             ?      
1 1 1 15 55 25 o 0.1571000      1.496000      ?             ?      
1 1 1 15 55 26 o 2.547000       1.523000      ?             ?      
1 1 1 15 55 27 o -4.006000      1.497000      ?             ?      
1 1 1 15 55 28 o -1.183000      1.622000      ?             ?      
1 1 1 15 55 29 o 2.809000       1.850000      ?             ?      
1 1 1 15 55 30 o -0.2644000     1.847000      ?             ?      
1 1 1 15 55 31 o -1.168000      1.883000      ?             ?      
1 1 1 15 55 32 o 0.2894000      1.873000      ?             ?      
1 1 1 15 55 33 o 1.236000       2.394000      ?             ?      
1 1 1 15 55 34 o 3.257000       2.850000      ?             ?      
1 1 1 15 55 35 o -0.1730000     2.756000      ?             ?      
1 1 1 15 55 36 o 0.1896000      2.295000      ?             ?      
1 1 1 15 55 37 o 2.799000       2.293000      ?             ?      
1 1 1 15 55 38 o 9.427000       4.462000      ?             ?      
1 1 1 15 55 39 o 0.9822000E-01  2.322000      ?             ?      
1 1 1 15 56 0  o 4.859000       1.225000      ?             ?      
1 1 1 15 56 1  o 2.184000       1.090000      ?             ?      
1 1 1 15 56 2  o 3.658000       1.019000      ?             ?      
1 1 1 15 56 3  o 0.2330000      1.044000      ?             ?      
1 1 1 15 56 4  o 2.661000       0.9119000     ?             ?      
1 1 1 15 56 5  o -0.7859000     0.8533000     ?             ?      
1 1 1 15 56 6  o 0.2564000      0.7815000     ?             ?      
1 1 1 15 56 7  o 0.4877000      0.7841000     ?             ?      
1 1 1 15 56 8  o 0.2096000      0.7781000     ?             ?      
1 1 1 15 56 9  o 2.293000       0.8358000     ?             ?      
1 1 1 15 56 10 o 1.586000       0.9888000     ?             ?      
1 1 1 15 56 11 o 1.625000       1.031000      ?             ?      
1 1 1 15 56 12 o -1.253000      1.342000      ?             ?      
1 1 1 15 56 13 o 0.9711000      1.033000      ?             ?      
1 1 1 15 56 14 o 3.681000       1.323000      ?             ?      
1 1 1 15 56 15 o -0.7311000     1.318000      ?             ?      
1 1 1 15 56 16 o 3.575000       1.810000      ?             ?      
1 1 1 15 56 17 o 3.790000       1.823000      ?             ?      
1 1 1 15 56 18 o 2.576000       1.403000      ?             ?      
1 1 1 15 56 19 o 1.157000       1.916000      ?             ?      
1 1 1 15 56 20 o 3.224000       1.334000      ?             ?      
1 1 1 15 56 21 o -1.109000      1.215000      ?             ?      
1 1 1 15 56 22 o 1.061000       2.115000      ?             ?      
1 1 1 15 56 23 o -0.6894000     2.055000      ?             ?      
1 1 1 15 56 24 o 1.236000       2.099000      ?             ?      
1 1 1 15 56 25 o 0.2993000      1.504000      ?             ?      
1 1 1 15 56 26 o 2.610000       2.045000      ?             ?      
1 1 1 15 56 27 o 1.878000       2.044000      ?             ?      
1 1 1 15 56 28 o 2.468000       2.134000      ?             ?      
1 1 1 15 56 29 o 2.029000       1.869000      ?             ?      
1 1 1 15 56 30 o -1.594000      1.867000      ?             ?      
1 1 1 15 56 31 o 3.206000       1.912000      ?             ?      
1 1 1 15 56 32 o -0.4248000E-01 2.382000      ?             ?      
1 1 1 15 56 33 o -1.196000      3.801000      ?             ?      
1 1 1 15 56 34 o -0.8828000     4.336000      ?             ?      
1 1 1 15 56 35 o 0.5410000      2.728000      ?             ?      
1 1 1 15 56 36 o 1.532000       2.491000      ?             ?      
1 1 1 15 56 37 o 8.828000       4.440000      ?             ?      
1 1 1 15 57 0  o -0.7949000     1.135000      ?             ?      
1 1 1 15 57 1  o -0.1680000E-01 0.9880000     ?             ?      
1 1 1 15 57 2  o 0.7062000      0.9873000     ?             ?      
1 1 1 15 57 3  o -0.3618000E-01 1.040000      ?             ?      
1 1 1 15 57 4  o 0.4166000      0.8941000     ?             ?      
1 1 1 15 57 5  o -0.7346000     0.8364000     ?             ?      
1 1 1 15 57 6  o -1.475000      0.7690000     ?             ?      
1 1 1 15 57 7  o 1.377000       0.7657000     ?             ?      
1 1 1 15 57 8  o 0.2805000      0.7619000     ?             ?      
1 1 1 15 57 9  o 0.4782000      0.8213000     ?             ?      
1 1 1 15 57 10 o -1.511000      1.005000      ?             ?      
1 1 1 15 57 11 o -1.041000      1.242000      ?             ?      
1 1 1 15 57 12 o -0.6028000     1.338000      ?             ?      
1 1 1 15 57 13 o -0.6856000     1.029000      ?             ?      
1 1 1 15 57 14 o 1.905000       1.311000      ?             ?      
1 1 1 15 57 15 o -1.033000      1.711000      ?             ?      
1 1 1 15 57 16 o 0.5925000      1.722000      ?             ?      
1 1 1 15 57 17 o 1.832000       1.353000      ?             ?      
1 1 1 15 57 18 o 1.047000       1.466000      ?             ?      
1 1 1 15 57 19 o 0.2935000      1.477000      ?             ?      
1 1 1 15 57 20 o 0.7475000      2.084000      ?             ?      
1 1 1 15 57 21 o 0.4466000E-02  1.489000      ?             ?      
1 1 1 15 57 22 o 0.3467000      1.467000      ?             ?      
1 1 1 15 57 23 o -1.669000      1.915000      ?             ?      
1 1 1 15 57 24 o 1.678000       1.948000      ?             ?      
1 1 1 15 57 25 o 1.504000       2.310000      ?             ?      
1 1 1 15 57 26 f -3.253000      2.356000      ?             ?      
1 1 1 15 57 27 o 0.8472000      2.355000      ?             ?      
1 1 1 15 57 28 o -0.4740000E-01 2.413000      ?             ?      
1 1 1 15 57 29 o 0.2339000      2.404000      ?             ?      
1 1 1 15 57 30 o -0.8789000     2.669000      ?             ?      
1 1 1 15 57 31 o 0.8721000      2.691000      ?             ?      
1 1 1 15 57 32 o -1.811000      3.331000      ?             ?      
1 1 1 15 57 33 o 5.065000       4.477000      ?             ?      
1 1 1 15 57 34 o 0.2086000      2.778000      ?             ?      
1 1 1 15 57 35 o -3.107000      2.499000      ?             ?      
1 1 1 15 58 0  o 0.7568000      1.137000      ?             ?      
1 1 1 15 58 1  o 1.355000       0.9790000     ?             ?      
1 1 1 15 58 2  o 0.3766000      0.9461000     ?             ?      
1 1 1 15 58 3  o -0.4599000     1.053000      ?             ?      
1 1 1 15 58 4  o 2.440000       0.8431000     ?             ?      
1 1 1 15 58 5  o -1.230000      0.7739000     ?             ?      
1 1 1 15 58 6  o -0.2486000     0.7629000     ?             ?      
1 1 1 15 58 7  o -0.4215000     0.7634000     ?             ?      
1 1 1 15 58 8  o 1.377000       0.7593000     ?             ?      
1 1 1 15 58 9  o 0.2313000      1.017000      ?             ?      
1 1 1 15 58 10 o -0.2290000     1.003000      ?             ?      
1 1 1 15 58 11 o 2.146000       1.270000      ?             ?      
1 1 1 15 58 12 o 0.1874000E-01  1.349000      ?             ?      
1 1 1 15 58 13 o 3.763000       1.061000      ?             ?      
1 1 1 15 58 14 o 0.4855000      1.301000      ?             ?      
1 1 1 15 58 15 o 0.3672000      1.724000      ?             ?      
1 1 1 15 58 16 o -1.124000      1.710000      ?             ?      
1 1 1 15 58 17 o 1.781000       1.408000      ?             ?      
1 1 1 15 58 18 o -0.8268000     1.429000      ?             ?      
1 1 1 15 58 19 o -0.2751000     2.045000      ?             ?      
1 1 1 15 58 20 o -0.4266000     2.044000      ?             ?      
1 1 1 15 58 21 o -0.3969000     1.475000      ?             ?      
1 1 1 15 58 22 o -0.1121000     1.472000      ?             ?      
1 1 1 15 58 23 o 2.957000       1.536000      ?             ?      
1 1 1 15 58 24 o 2.664000       2.241000      ?             ?      
1 1 1 15 58 25 o 1.655000       1.862000      ?             ?      
1 1 1 15 58 26 o 0.4494000      2.352000      ?             ?      
1 1 1 15 58 27 o -0.4348000     2.351000      ?             ?      
1 1 1 15 58 28 o -0.3226000     2.375000      ?             ?      
1 1 1 15 58 29 < 0.000000       -1.000000     ?             ?      
1 1 1 15 58 30 o -3.229000      2.295000      ?             ?      
1 1 1 15 58 31 o 2.237000       1.283000      ?             ?      
1 1 1 15 58 32 o 1.759000       1.375000      ?             ?      
1 1 1 15 58 33 o 1.770000       2.330000      ?             ?      
1 1 1 15 59 0  o 0.9483000      1.130000      ?             ?      
1 1 1 15 59 1  o 0.9526000E-01  0.8954000     ?             ?      
1 1 1 15 59 2  o 0.2723000      1.048000      ?             ?      
1 1 1 15 59 3  o -1.624000      1.142000      ?             ?      
1 1 1 15 59 4  o 1.358000       0.8831000     ?             ?      
1 1 1 15 59 5  o -0.1779000     0.7727000     ?             ?      
1 1 1 15 59 6  o 1.637000       0.7810000     ?             ?      
1 1 1 15 59 7  o 0.5438000      0.7716000     ?             ?      
1 1 1 15 59 8  o -0.5593000     0.7645000     ?             ?      
1 1 1 15 59 9  o -1.412000      0.9869000     ?             ?      
1 1 1 15 59 10 o -0.7796000     1.013000      ?             ?      
1 1 1 15 59 11 o -0.9927000     1.352000      ?             ?      
1 1 1 15 59 12 o -1.000000      1.030000      ?             ?      
1 1 1 15 59 13 o 1.313000       0.9834000     ?             ?      
1 1 1 15 59 14 o -1.160000      1.764000      ?             ?      
1 1 1 15 59 15 o -1.136000      1.785000      ?             ?      
1 1 1 15 59 16 o 1.739000       1.382000      ?             ?      
1 1 1 15 59 17 o 0.4999000      1.443000      ?             ?      
1 1 1 15 59 18 o -1.566000      1.448000      ?             ?      
1 1 1 15 59 19 o -0.3024000     2.044000      ?             ?      
1 1 1 15 59 20 o 6.019000       2.115000      ?             ?      
1 1 1 15 59 21 f 4.056000       2.084000      ?             ?      
1 1 1 15 59 22 o 0.8859000      2.057000      ?             ?      
1 1 1 15 59 23 o 1.620000       2.282000      ?             ?      
1 1 1 15 59 24 o -0.1686000E-01 2.311000      ?             ?      
1 1 1 15 59 25 o 2.178000       2.366000      ?             ?      
1 1 1 15 59 26 o -2.382000      2.376000      ?             ?      
1 1 1 15 59 27 o 2.720000       4.079000      ?             ?      
1 1 1 15 59 28 o 1.989000       2.218000      ?             ?      
1 1 1 15 59 29 o -3.923000      4.329000      ?             ?      
1 1 1 15 59 30 o 1.016000       4.565000      ?             ?      
1 1 1 15 60 0  o 0.1452000      1.142000      ?             ?      
1 1 1 15 60 1  o -0.8605000     0.8955000     ?             ?      
1 1 1 15 60 2  o 3.780000       1.082000      ?             ?      
1 1 1 15 60 3  o 0.9547000E-02  1.146000      ?             ?      
1 1 1 15 60 4  o -0.3356000E-01 0.8788000     ?             ?      
1 1 1 15 60 5  o 0.7471000      0.7770000     ?             ?      
1 1 1 15 60 6  o -1.019000      0.7761000     ?             ?      
1 1 1 15 60 7  o -0.6335000     0.7673000     ?             ?      
1 1 1 15 60 8  o -1.679000      0.7555000     ?             ?      
1 1 1 15 60 9  o -0.5286000     1.018000      ?             ?      
1 1 1 15 60 10 o 2.020000       1.042000      ?             ?      
1 1 1 15 60 11 o 2.381000       1.408000      ?             ?      
1 1 1 15 60 12 o 1.622000       1.035000      ?             ?      
1 1 1 15 60 13 o -0.8676000E-01 0.9718000     ?             ?      
1 1 1 15 60 14 o -0.8656000     1.706000      ?             ?      
1 1 1 15 60 15 o -1.149000      1.728000      ?             ?      
1 1 1 15 60 16 o 2.705000       1.474000      ?             ?      
1 1 1 15 60 17 o 1.104000       2.028000      ?             ?      
1 1 1 15 60 18 o 2.043000       2.000000      ?             ?      
1 1 1 15 60 19 o 0.8264000      2.009000      ?             ?      
1 1 1 15 60 20 o -0.4661000     1.208000      ?             ?      
1 1 1 15 60 21 o 2.706000       2.066000      ?             ?      
1 1 1 15 60 22 o 1.877000       2.111000      ?             ?      
1 1 1 15 60 23 o -2.067000      4.073000      ?             ?      
1 1 1 15 60 24 o -1.086000      2.298000      ?             ?      
1 1 1 15 60 25 o 0.2538000      2.357000      ?             ?      
1 1 1 15 60 26 o -2.771000      2.392000      ?             ?      
1 1 1 15 60 27 o 0.8860000      2.170000      ?             ?      
1 1 1 15 60 28 o -1.786000      2.196000      ?             ?      
1 1 1 15 61 0  o -1.153000      1.147000      ?             ?      
1 1 1 15 61 1  o -0.3944000     0.9081000     ?             ?      
1 1 1 15 61 2  o 0.5826000      1.071000      ?             ?      
1 1 1 15 61 3  o 1.959000       1.163000      ?             ?      
1 1 1 15 61 4  o 0.5707000      1.048000      ?             ?      
1 1 1 15 61 5  o 0.4830000      0.8125000     ?             ?      
1 1 1 15 61 6  o 1.493000       0.8100000     ?             ?      
1 1 1 15 61 7  o 0.9240000      0.7957000     ?             ?      
1 1 1 15 61 8  o 1.067000       0.7953000     ?             ?      
1 1 1 15 61 9  o -2.611000      1.221000      ?             ?      
1 1 1 15 61 10 o -0.6736000     1.212000      ?             ?      
1 1 1 15 61 11 o 0.8955000      1.953000      ?             ?      
1 1 1 15 61 12 o -0.7527000E-01 1.190000      ?             ?      
1 1 1 15 61 13 o 1.203000       0.7748000     ?             ?      
1 1 1 15 61 14 o 0.2066000      0.7715000     ?             ?      
1 1 1 15 61 15 o -0.3434000     1.960000      ?             ?      
1 1 1 15 61 16 o 0.3218000      1.986000      ?             ?      
1 1 1 15 61 17 o -2.060000      2.047000      ?             ?      
1 1 1 15 61 18 o -2.503000      1.981000      ?             ?      
1 1 1 15 61 19 o 1.827000       2.084000      ?             ?      
1 1 1 15 61 20 o -1.356000      2.039000      ?             ?      
1 1 1 15 61 21 o 1.548000       2.149000      ?             ?      
1 1 1 15 61 22 o 0.2195000      2.286000      ?             ?      
1 1 1 15 61 23 o 3.435000       2.336000      ?             ?      
1 1 1 15 61 24 o -2.287000      2.378000      ?             ?      
1 1 1 15 61 25 o 3.912000       2.442000      ?             ?      
1 1 1 15 62 0  o 0.7420000      1.168000      ?             ?      
1 1 1 15 62 1  o -0.5896000     1.000000      ?             ?      
1 1 1 15 62 2  o 0.7510000      1.021000      ?             ?      
1 1 1 15 62 3  o 0.3926000      1.257000      ?             ?      
1 1 1 15 62 4  o 0.8951000      1.933000      ?             ?      
1 1 1 15 62 5  o -0.8376000E-01 0.9244000     ?             ?      
1 1 1 15 62 6  o 1.968000       0.8859000     ?             ?      
1 1 1 15 62 7  o 0.8580000      0.8745000     ?             ?      
1 1 1 15 62 8  o -0.7965000     0.7961000     ?             ?      
1 1 1 15 62 9  o 0.4668000      1.190000      ?             ?      
1 1 1 15 62 10 o 0.8236000      1.884000      ?             ?      
1 1 1 15 62 11 o 0.7637000      1.986000      ?             ?      
1 1 1 15 62 12 o 0.4080000      1.007000      ?             ?      
1 1 1 15 62 13 o 0.2845000E-01  0.7728000     ?             ?      
1 1 1 15 62 14 o -1.303000      0.7535000     ?             ?      
1 1 1 15 62 15 o -0.5620000     1.994000      ?             ?      
1 1 1 15 62 16 o 2.386000       2.097000      ?             ?      
1 1 1 15 62 17 o -0.4853000     2.042000      ?             ?      
1 1 1 15 62 18 o 4.046000       2.065000      ?             ?      
1 1 1 15 62 19 o 1.188000       3.991000      ?             ?      
1 1 1 15 62 20 o 1.146000       2.096000      ?             ?      
1 1 1 15 62 21 o -0.8399000E-01 2.115000      ?             ?      
1 1 1 15 63 0  o 1.228000       1.276000      ?             ?      
1 1 1 15 63 1  o 0.3240000      1.034000      ?             ?      
1 1 1 15 63 2  o 0.2286000      1.022000      ?             ?      
1 1 1 15 63 3  o -0.8030000     1.063000      ?             ?      
1 1 1 15 63 4  o -2.805000      1.938000      ?             ?      
1 1 1 15 63 5  o 0.3003000      1.013000      ?             ?      
1 1 1 15 63 6  o 0.1621000      0.8066000     ?             ?      
1 1 1 15 63 7  o -0.6877000     0.7956000     ?             ?      
1 1 1 15 63 8  o -0.4425000     1.092000      ?             ?      
1 1 1 15 63 9  o 1.148000       2.150000      ?             ?      
1 1 1 15 63 10 o -0.8978000     0.9660000     ?             ?      
1 1 1 15 63 11 o 0.7522000      1.215000      ?             ?      
1 1 1 15 63 12 o -1.618000      1.131000      ?             ?      
1 1 1 15 63 13 o 0.3414000      0.7849000     ?             ?      
1 1 1 15 63 14 o 0.9284000      0.7459000     ?             ?      
1 1 1 15 63 15 o 3.249000       3.981000      ?             ?      
1 1 1 15 63 16 o 2.434000       2.099000      ?             ?      
1 1 1 15 63 17 o 0.9320000      2.114000      ?             ?      
1 1 1 15 64 0  o 1.291000       1.280000      ?             ?      
1 1 1 15 64 1  o -0.1774000     1.041000      ?             ?      
1 1 1 15 64 2  o -1.042000      1.017000      ?             ?      
1 1 1 15 64 3  o -0.5597000     1.000000      ?             ?      
1 1 1 15 64 4  o 2.272000       3.480000      ?             ?      
1 1 1 15 64 5  o 0.1167000      0.8991000     ?             ?      
1 1 1 15 64 6  o 1.567000       0.8105000     ?             ?      
1 1 1 15 64 7  o 0.6957000E-01  0.7980000     ?             ?      
1 1 1 15 64 8  o -0.2755000     1.084000      ?             ?      
1 1 1 15 64 9  o 0.5636000      1.188000      ?             ?      
1 1 1 15 64 10 o 5.065000       3.802000      ?             ?      
1 1 1 15 64 11 o 0.2472000E-01  1.983000      ?             ?      
1 1 1 15 64 12 < 0.000000       -1.000000     ?             ?      
1 1 1 16 0  0  o 5.306000       0.7938000     552.7599      -0.0   
1 1 1 16 0  1  o 25.79000       1.179000      1063.358      -90.0  
1 1 1 16 0  2  o 14.74000       0.7813000     17.53122      -180.0 
1 1 1 16 0  3  o 329.2000       10.76000      2143.566      -90.0  
1 1 1 16 0  4  o 21.29000       0.8035000     763.4044      -180.0 
1 1 1 16 0  5  o 183.2000       4.292000      1750.970      -90.0  
1 1 1 16 0  6  o 26.27000       0.9188000     873.9638      -180.0 
1 1 1 16 0  7  o 808.4000       20.16000      3812.733      -90.0  
1 1 1 16 0  8  o 33.54000       1.208000      185.1108      -180.0 
1 1 1 16 0  9  o 419.4000       11.71000      2610.444      -90.0  
1 1 1 16 0  10 o 29.56000       1.119000      973.4295      0.0    
1 1 1 16 0  11 o 17.05000       0.9860000     675.5874      90.0   
1 1 1 16 0  12 o 335.7000       9.407000      2452.988      0.0    
1 1 1 16 0  13 o 16.69000       0.9141000     756.5345      90.0   
1 1 1 16 0  14 o 58.13000       1.900000      880.3383      0.0    
1 1 1 16 0  15 o 69.89000       2.223000      995.1166      -90.0  
1 1 1 16 0  16 o 215.6000       6.157000      1646.403      0.0    
1 1 1 16 0  17 o 15.81000       1.062000      257.0784      -90.0  
1 1 1 16 0  18 o 80.76000       2.605000      1808.900      0.0    
1 1 1 16 0  19 o 127.0000       3.847000      1493.690      -90.0  
1 1 1 16 0  20 o 59.24000       2.148000      792.3658      -180.0 
1 1 1 16 0  21 o 28.85000       1.563000      867.2391      90.0   
1 1 1 16 0  22 o 909.5000       25.33000      3985.052      0.0    
1 1 1 16 0  23 o 218.8000       6.403000      1908.117      90.0   
1 1 1 16 0  24 o 48.00000       2.401000      1443.345      -0.0   
1 1 1 16 0  25 o 626.0000       20.37000      3173.904      90.0   
1 1 1 16 0  26 o 854.1000       47.68000      4516.321      0.0    
1 1 1 16 0  27 o 14.98000       3.959000      1072.044      90.0   
1 1 1 16 0  28 o 4.842000       2.124000      555.3312      0.0    
1 1 1 16 0  29 o 0.2866000      1.739000      55.61354      -90.0  
1 1 1 16 0  30 o 49.77000       2.407000      1105.743      0.0    
1 1 1 16 0  31 o 9.740000       1.714000      408.4359      -90.0  
1 1 1 16 0  32 o 4.096000       1.562000      155.8068      -180.0 
1 1 1 16 0  33 o 90.53000       3.167000      1088.896      -90.0  
1 1 1 16 0  34 o 232.4000       6.863000      2059.853      180.0  
1 1 1 16 0  35 o 7.520000       1.520000      82.19459      -90.0  
1 1 1 16 0  36 o 26.98000       1.758000      709.5367      180.0  
1 1 1 16 0  37 f 8.785000       1.504000      436.3306      -90.0  
1 1 1 16 0  38 o 10.23000       1.539000      483.6914      180.0  
1 1 1 16 0  39 o 6.440000       1.502000      353.0782      -90.0  
1 1 1 16 0  40 o 21.20000       1.707000      749.2400      180.0  
1 1 1 16 0  41 o 8.636000       1.606000      326.2552      90.0   
1 1 1 16 0  42 o 0.5403000      1.811000      155.4235      180.0  
1 1 1 16 0  43 o -0.2611000E-01 1.593000      181.4201      -90.0  
1 1 1 16 0  44 o 3.980000       1.974000      515.6527      0.0    
1 1 1 16 0  45 o 95.65000       4.913000      1417.916      90.0   
1 1 1 16 0  46 o 35.03000       3.192000      1008.347      0.0    
1 1 1 16 0  47 o 17.31000       2.702000      745.1200      90.0   
1 1 1 16 0  48 o 4.213000       2.059000      397.8624      0.0    
1 1 1 16 0  49 o 39.53000       2.311000      824.5286      90.0   
1 1 1 16 0  50 o 40.45000       2.649000      821.3298      180.0  
1 1 1 16 0  51 o 27.18000       2.449000      819.8256      -90.0  
1 1 1 16 0  52 o -0.2961000     1.870000      15.99416      0.0    
1 1 1 16 0  53 o 8.759000       1.953000      520.2624      -90.0  
1 1 1 16 0  54 o 1.207000       1.961000      166.8984      -0.0   
1 1 1 16 0  55 o 14.89000       2.104000      634.5986      90.0   
1 1 1 16 0  56 o 26.10000       2.304000      560.7369      180.0  
1 1 1 16 0  57 o 4.750000       2.038000      268.0110      90.0   
1 1 1 16 0  58 o 35.95000       2.455000      1008.997      180.0  
1 1 1 16 0  59 o 6.805000       2.021000      ?             ?      
1 1 1 16 0  60 o 7.725000       1.970000      ?             ?      
1 1 1 16 0  61 o 0.2794000E-01  2.182000      ?             ?      
1 1 1 16 0  62 o 1.675000       2.816000      ?             ?      
1 1 1 16 0  63 o 10.88000       2.906000      ?             ?      
1 1 1 16 0  64 o 5.334000       1.908000      ?             ?      
1 1 1 16 0  65 o 0.6320000E-01  1.815000      ?             ?      
1 1 1 16 0  66 o 4.233000       1.830000      ?             ?      
1 1 1 16 0  67 o -1.258000      1.819000      ?             ?      
1 1 1 16 0  68 o 9.809000       1.917000      ?             ?      
1 1 1 16 0  69 o -1.842000      1.828000      ?             ?      
1 1 1 16 0  70 o 1.034000       1.867000      ?             ?      
1 1 1 16 0  71 o 0.8236000      1.875000      ?             ?      
1 1 1 16 0  72 o 5.478000       1.959000      ?             ?      
1 1 1 16 0  73 o -5.097000      1.896000      ?             ?      
1 1 1 16 0  74 o 0.8088000      2.245000      ?             ?      
1 1 1 16 1  0  o 50.44000       1.368000      1211.021      -0.0   
1 1 1 16 1  1  o 63.79000       1.233000      907.6653      156.0  
1 1 1 16 1  2  o 57.48000       1.356000      1018.431      -15.8  
1 1 1 16 1  3  o 13.15000       0.4709000     201.8739      179.4  
1 1 1 16 1  4  o 8.736000       0.4965000     507.6212      2.1    
1 1 1 16 1  5  o 40.06000       0.9615000     1078.818      -0.6   
1 1 1 16 1  6  o 158.4000       2.765000      1991.565      6.4    
1 1 1 16 1  7  o 88.40000       1.782000      1540.679      146.1  
1 1 1 16 1  8  o 93.93000       1.870000      1349.967      99.8   
1 1 1 16 1  9  o 250.3000       4.484000      2336.427      178.9  
1 1 1 16 1  10 o 187.7000       3.592000      1595.619      4.7    
1 1 1 16 1  11 o 61.48000       1.315000      1116.206      142.4  
1 1 1 16 1  12 o 60.82000       1.494000      941.9709      18.3   
1 1 1 16 1  13 o 15.04000       0.6273000     428.3502      97.9   
1 1 1 16 1  14 o 98.73000       2.096000      1138.768      -31.0  
1 1 1 16 1  15 o 2.358000       0.5783000     368.8120      23.4   
1 1 1 16 1  16 o 270.8000       5.422000      2060.467      -122.3 
1 1 1 16 1  17 o 11.90000       0.7145000     628.5532      19.8   
1 1 1 16 1  18 o 383.1000       7.624000      2481.533      -34.6  
1 1 1 16 1  19 o 140.0000       2.957000      1695.588      -6.9   
1 1 1 16 1  20 o 80.35000       1.877000      1298.955      -112.5 
1 1 1 16 1  21 o 126.5000       2.744000      1865.106      136.6  
1 1 1 16 1  22 o 135.7000       2.949000      1358.374      10.1   
1 1 1 16 1  23 o 126.1000       2.804000      1645.573      31.9   
1 1 1 16 1  24 o 34.83000       1.444000      403.3288      -130.7 
1 1 1 16 1  25 o 371.9000       12.52000      2452.842      73.8   
1 1 1 16 1  26 o 250.4000       10.37000      2209.867      -121.2 
1 1 1 16 1  27 o 386.5000       12.83000      2697.911      3.9    
1 1 1 16 1  28 o 100.2000       2.704000      1314.498      -74.2  
1 1 1 16 1  29 o 46.77000       1.673000      1100.652      134.9  
1 1 1 16 1  30 o 13.40000       1.276000      625.9819      -5.0   
1 1 1 16 1  31 o 3.337000       1.166000      186.7420      172.6  
1 1 1 16 1  32 o 33.43000       1.370000      1173.765      32.9   
1 1 1 16 1  33 o 138.1000       3.083000      1322.423      -124.2 
1 1 1 16 1  34 o 110.8000       2.594000      1545.153      -56.2  
1 1 1 16 1  35 o 16.57000       1.149000      618.4822      113.6  
1 1 1 16 1  36 o 40.75000       1.434000      780.3468      48.3   
1 1 1 16 1  37 o 23.25000       1.220000      894.9238      -94.7  
1 1 1 16 1  38 o 42.85000       1.473000      931.7253      12.6   
1 1 1 16 1  39 o 36.34000       1.498000      987.3276      -105.4 
1 1 1 16 1  40 o 14.34000       1.255000      487.0073      -55.1  
1 1 1 16 1  41 o 10.20000       1.132000      481.3498      163.1  
1 1 1 16 1  42 o 29.73000       1.468000      648.7421      108.6  
1 1 1 16 1  43 o 21.74000       1.395000      655.2071      -169.3 
1 1 1 16 1  44 o 132.7000       3.740000      ?             ?      
1 1 1 16 1  45 o 23.11000       2.596000      665.8474      17.4   
1 1 1 16 1  46 o 9.809000       2.527000      562.7018      112.9  
1 1 1 16 1  47 o 12.22000       2.393000      458.2214      19.0   
1 1 1 16 1  48 o 11.71000       1.815000      324.8067      175.0  
1 1 1 16 1  49 o 2.990000       1.244000      368.9732      92.6   
1 1 1 16 1  50 o 11.21000       1.441000      358.0231      166.9  
1 1 1 16 1  51 o 8.028000       1.456000      460.5560      -129.5 
1 1 1 16 1  52 f 26.28000       1.615000      556.8242      80.8   
1 1 1 16 1  53 o 3.352000       1.435000      304.2682      -60.4  
1 1 1 16 1  54 o 23.67000       1.547000      646.5413      -114.0 
1 1 1 16 1  55 o 7.858000       1.432000      506.9659      143.3  
1 1 1 16 1  56 o 40.81000       1.800000      878.6962      -61.3  
1 1 1 16 1  57 o 2.606000       1.431000      191.8116      -15.7  
1 1 1 16 1  58 o 14.59000       1.495000      546.4464      63.6   
1 1 1 16 1  59 o 11.27000       1.452000      ?             ?      
1 1 1 16 1  60 o 0.7415000      1.448000      ?             ?      
1 1 1 16 1  61 o -0.6071000     1.736000      ?             ?      
1 1 1 16 1  62 o 4.079000       2.473000      ?             ?      
1 1 1 16 1  63 o 10.75000       2.360000      ?             ?      
1 1 1 16 1  64 o 2.118000       1.430000      ?             ?      
1 1 1 16 1  65 o 6.647000       1.334000      ?             ?      
1 1 1 16 1  66 o 0.7044000      1.297000      ?             ?      
1 1 1 16 1  67 o 2.548000       1.315000      ?             ?      
1 1 1 16 1  68 o 0.4810000      1.298000      ?             ?      
1 1 1 16 1  69 o 5.725000       1.352000      ?             ?      
1 1 1 16 1  70 o 4.245000       1.343000      ?             ?      
1 1 1 16 1  71 o 2.173000       1.346000      ?             ?      
1 1 1 16 1  72 o 4.884000       1.392000      ?             ?      
1 1 1 16 1  73 o 4.117000       1.393000      ?             ?      
1 1 1 16 1  74 o 3.121000       2.284000      ?             ?      
1 1 1 16 2  0  o 48.50000       1.599000      1506.531      -180.0 
1 1 1 16 2  1  o 97.62000       1.967000      1379.007      -114.9 
1 1 1 16 2  2  f 5.159000       0.4092000     362.6042      -79.2  
1 1 1 16 2  3  o 39.33000       1.096000      1089.340      122.4  
1 1 1 16 2  4  o 113.8000       1.949000      1420.449      75.7   
1 1 1 16 2  5  o 21.26000       0.6473000     448.7383      -168.6 
1 1 1 16 2  6  o 167.5000       2.929000      1970.301      170.1  
1 1 1 16 2  7  o 216.0000       3.724000      1921.553      -124.2 
1 1 1 16 2  8  o 6.946000       0.4395000     479.2775      -6.4   
1 1 1 16 2  9  o 401.2000       7.111000      2827.052      -53.6  
1 1 1 16 2  10 o 94.22000       2.152000      1529.571      63.6   
1 1 1 16 2  11 o 34.07000       0.9240000     537.7727      64.5   
1 1 1 16 2  12 o 302.1000       5.709000      2452.309      -66.5  
1 1 1 16 2  13 o 71.71000       1.587000      1549.251      23.3   
1 1 1 16 2  14 o 36.62000       0.9827000     766.9503      -40.2  
1 1 1 16 2  15 o 48.90000       1.213000      1211.661      -144.7 
1 1 1 16 2  16 o 101.0000       2.170000      1543.025      9.2    
1 1 1 16 2  17 o 17.90000       0.7966000     331.2066      -55.6  
1 1 1 16 2  18 o 163.5000       3.393000      1749.539      -109.5 
1 1 1 16 2  19 o 471.9000       9.365000      2850.558      154.3  
1 1 1 16 2  20 o 285.9000       5.768000      2451.350      64.1   
1 1 1 16 2  21 o 8.713000       0.8885000     461.3041      -6.3   
1 1 1 16 2  22 o 16.09000       1.015000      235.0620      -61.1  
1 1 1 16 2  23 o 1002.000       19.73000      4372.515      129.8  
1 1 1 16 2  24 o 747.5000       17.06000      3846.310      67.2   
1 1 1 16 2  25 o 416.3000       13.78000      2865.721      14.9   
1 1 1 16 2  26 o 22.19000       2.070000      755.9146      24.3   
1 1 1 16 2  27 o 141.6000       5.113000      1698.890      55.7   
1 1 1 16 2  28 o 33.18000       1.922000      628.3340      -3.0   
1 1 1 16 2  29 o 25.91000       1.569000      584.2513      50.4   
1 1 1 16 2  30 o 19.32000       1.331000      276.5063      11.4   
1 1 1 16 2  31 o 127.9000       3.180000      1418.510      112.3  
1 1 1 16 2  32 o 92.58000       2.270000      1004.269      -75.6  
1 1 1 16 2  33 o 11.99000       1.131000      585.2935      -21.1  
1 1 1 16 2  34 o 77.98000       2.017000      1258.025      -135.1 
1 1 1 16 2  35 o 60.82000       1.733000      1401.657      134.0  
1 1 1 16 2  36 o 40.46000       1.440000      1117.777      119.9  
1 1 1 16 2  37 o 56.49000       1.814000      933.3403      35.3   
1 1 1 16 2  38 o 7.828000       1.179000      381.4534      34.7   
1 1 1 16 2  39 o 3.725000       1.077000      210.3218      101.6  
1 1 1 16 2  40 o 5.634000       1.184000      494.9490      -145.3 
1 1 1 16 2  41 o 31.78000       1.355000      812.7764      157.8  
1 1 1 16 2  42 o 6.500000       1.119000      407.2490      63.5   
1 1 1 16 2  43 o 52.35000       1.823000      990.0209      -10.1  
1 1 1 16 2  44 o 16.35000       1.343000      433.6934      -168.6 
1 1 1 16 2  45 o 27.63000       2.098000      773.9279      60.3   
1 1 1 16 2  46 o 7.841000       1.432000      274.4543      148.1  
1 1 1 16 2  47 o 24.47000       2.322000      776.2437      152.8  
1 1 1 16 2  48 o 8.962000       1.577000      481.1596      -46.5  
1 1 1 16 2  49 o 25.05000       1.559000      679.2796      151.5  
1 1 1 16 2  50 o 20.70000       1.530000      755.8856      -122.4 
1 1 1 16 2  51 o 11.76000       1.360000      451.2900      -47.9  
1 1 1 16 2  52 o 2.313000       1.434000      217.0466      142.9  
1 1 1 16 2  53 o 30.13000       1.727000      815.3607      -129.2 
1 1 1 16 2  54 o 11.63000       1.442000      522.0769      112.2  
1 1 1 16 2  55 o 3.658000       1.512000      285.7181      127.4  
1 1 1 16 2  56 o 11.11000       1.495000      421.1497      76.2   
1 1 1 16 2  57 o 7.644000       1.460000      510.7704      -29.8  
1 1 1 16 2  58 o 20.39000       1.556000      731.1731      164.4  
1 1 1 16 2  59 o 2.721000       1.381000      ?             ?      
1 1 1 16 2  60 o 8.446000       1.498000      ?             ?      
1 1 1 16 2  61 o 7.197000       1.792000      ?             ?      
1 1 1 16 2  62 o 0.5177000      1.790000      ?             ?      
1 1 1 16 2  63 o 6.698000       1.738000      ?             ?      
1 1 1 16 2  64 o 0.7575000      1.430000      ?             ?      
1 1 1 16 2  65 o -1.078000      1.294000      ?             ?      
1 1 1 16 2  66 o 0.5461000      1.288000      ?             ?      
1 1 1 16 2  67 o 5.793000       1.345000      ?             ?      
1 1 1 16 2  68 o 0.6083000      1.308000      ?             ?      
1 1 1 16 2  69 o 2.038000       1.353000      ?             ?      
1 1 1 16 2  70 o 3.301000       1.354000      ?             ?      
1 1 1 16 2  71 o 0.5946000      1.355000      ?             ?      
1 1 1 16 2  72 o 4.656000       1.394000      ?             ?      
1 1 1 16 2  73 o 0.6462000      1.372000      ?             ?      
1 1 1 16 2  74 o -0.5050000     1.809000      ?             ?      
1 1 1 16 3  0  o 312.3000       7.185000      2259.497      -0.0   
1 1 1 16 3  1  o 3.541000       0.4259000     349.1094      -116.6 
1 1 1 16 3  2  o 1.965000       0.3892000     428.3803      -85.8  
1 1 1 16 3  3  o 110.7000       1.928000      1255.355      -157.9 
1 1 1 16 3  4  o 23.41000       0.6513000     972.8740      81.1   
1 1 1 16 3  5  o 48.69000       0.9951000     944.3506      23.1   
1 1 1 16 3  6  o 87.13000       1.615000      1360.046      -81.1  
1 1 1 16 3  7  o 94.35000       1.722000      1155.506      99.0   
1 1 1 16 3  8  o 4.529000       0.4240000     295.6794      137.1  
1 1 1 16 3  9  o 6.427000       0.4545000     667.4228      165.0  
1 1 1 16 3  10 o 180.4000       3.633000      2164.042      11.6   
1 1 1 16 3  11 o 244.5000       4.877000      2332.970      88.3   
1 1 1 16 3  12 o 178.0000       3.601000      2274.217      43.0   
1 1 1 16 3  13 o 363.2000       7.203000      2770.296      -53.6  
1 1 1 16 3  14 o 73.21000       1.631000      1040.998      -51.0  
1 1 1 16 3  15 o 289.3000       5.780000      2504.982      108.1  
1 1 1 16 3  16 o 40.15000       1.089000      1032.511      -112.3 
1 1 1 16 3  17 o 284.9000       5.710000      2714.108      -0.7   
1 1 1 16 3  18 o 55.00000       1.400000      1207.017      -75.3  
1 1 1 16 3  19 o 39.49000       1.184000      650.4097      -49.9  
1 1 1 16 3  20 o 229.7000       4.698000      1817.628      -112.3 
1 1 1 16 3  21 o 160.7000       3.405000      1914.838      87.4   
1 1 1 16 3  22 o 103.7000       2.374000      1175.590      170.9  
1 1 1 16 3  23 o 25.55000       1.271000      866.4966      17.5   
1 1 1 16 3  24 o 26.05000       2.011000      798.7673      -77.5  
1 1 1 16 3  25 o 69.63000       4.073000      1346.424      162.7  
1 1 1 16 3  26 o 53.20000       2.145000      867.3439      -75.3  
1 1 1 16 3  27 o 22.84000       1.735000      948.2409      89.6   
1 1 1 16 3  28 o 15.73000       1.720000      688.6385      -99.1  
1 1 1 16 3  29 o 56.98000       1.960000      1173.585      59.0   
1 1 1 16 3  30 o 45.99000       1.752000      644.8535      -131.5 
1 1 1 16 3  31 o 63.34000       1.821000      872.3034      64.6   
1 1 1 16 3  32 o 9.783000       1.130000      472.8887      26.5   
1 1 1 16 3  33 o 8.361000       1.105000      317.9764      135.3  
1 1 1 16 3  34 o 14.56000       1.245000      706.6487      -141.9 
1 1 1 16 3  35 o 6.442000       1.176000      427.4371      -101.2 
1 1 1 16 3  36 o 22.47000       1.231000      710.7166      -86.0  
1 1 1 16 3  37 o 21.42000       1.345000      736.1198      132.4  
1 1 1 16 3  38 o 39.70000       1.575000      926.4156      21.1   
1 1 1 16 3  39 o 50.18000       1.595000      1177.150      -92.1  
1 1 1 16 3  40 o 18.28000       1.273000      591.1501      107.8  
1 1 1 16 3  41 o 5.220000       1.169000      233.0080      -137.5 
1 1 1 16 3  42 o 13.90000       1.157000      797.0443      -48.6  
1 1 1 16 3  43 o 3.950000       1.236000      272.7221      -35.9  
1 1 1 16 3  44 o 0.8246000      1.645000      187.0360      -141.9 
1 1 1 16 3  45 o 3.475000       1.461000      149.1297      13.0   
1 1 1 16 3  46 o 36.95000       1.735000      1067.539      172.3  
1 1 1 16 3  47 o 17.27000       1.669000      559.0786      -75.4  
1 1 1 16 3  48 o 13.49000       1.757000      620.3707      162.5  
1 1 1 16 3  49 o 10.21000       1.489000      453.9619      -56.0  
1 1 1 16 3  50 o 2.214000       1.352000      102.3814      -158.0 
1 1 1 16 3  51 o 1.393000       1.388000      141.0244      -22.7  
1 1 1 16 3  52 o 4.368000       1.428000      355.2295      38.3   
1 1 1 16 3  53 o 15.64000       1.444000      726.1516      -109.3 
1 1 1 16 3  54 o 12.49000       1.464000      621.4274      -70.8  
1 1 1 16 3  55 o 24.29000       1.723000      636.8021      54.3   
1 1 1 16 3  56 f 10.14000       1.491000      514.7498      -24.1  
1 1 1 16 3  57 o 4.370000       1.512000      280.8539      -168.0 
1 1 1 16 3  58 o 16.61000       1.618000      614.6898      4.2    
1 1 1 16 3  59 o 3.347000       1.395000      ?             ?      
1 1 1 16 3  60 o 3.669000       1.562000      ?             ?      
1 1 1 16 3  61 o 10.24000       1.750000      ?             ?      
1 1 1 16 3  62 o 1.999000       1.582000      ?             ?      
1 1 1 16 3  63 o 4.515000       1.773000      ?             ?      
1 1 1 16 3  64 o 0.1662000E-01  1.701000      ?             ?      
1 1 1 16 3  65 o 1.591000       1.425000      ?             ?      
1 1 1 16 3  66 o 7.860000       1.348000      ?             ?      
1 1 1 16 3  67 o 6.355000       1.350000      ?             ?      
1 1 1 16 3  68 o 1.468000       1.324000      ?             ?      
1 1 1 16 3  69 o 4.719000       1.346000      ?             ?      
1 1 1 16 3  72 o 1.169000       1.354000      ?             ?      
1 1 1 16 3  73 o 0.5796000      1.465000      ?             ?      
1 1 1 16 3  74 o 2.883000       1.989000      ?             ?      
1 1 1 16 4  0  o 3.084000       0.6422000     314.4208      -0.0   
1 1 1 16 4  1  o 18.94000       0.6601000     549.3663      77.4   
1 1 1 16 4  2  o 27.86000       0.6821000     689.2845      140.5  
1 1 1 16 4  3  o 33.81000       0.7704000     1119.869      176.5  
1 1 1 16 4  4  o 224.9000       4.217000      2167.386      -44.0  
1 1 1 16 4  5  o 14.98000       0.5141000     641.0157      164.3  
1 1 1 16 4  6  f 267.0000       4.783000      2215.054      125.4  
1 1 1 16 4  7  o 80.07000       1.805000      1545.204      -51.0  
1 1 1 16 4  8  o 5.697000       0.4380000     281.7526      -18.8  
1 1 1 16 4  9  o 51.60000       1.090000      1221.405      -88.2  
1 1 1 16 4  10 o 80.21000       2.098000      1583.186      158.8  
1 1 1 16 4  11 o 55.76000       1.228000      1120.110      141.8  
1 1 1 16 4  12 o 186.5000       3.774000      1756.292      -50.0  
1 1 1 16 4  13 o 96.92000       1.983000      1531.135      29.8   
1 1 1 16 4  14 o 106.2000       2.248000      1570.267      111.5  
1 1 1 16 4  15 o 89.00000       1.944000      1481.325      -163.9 
1 1 1 16 4  16 o 53.30000       1.321000      1400.586      -163.1 
1 1 1 16 4  17 o 97.83000       2.314000      1697.261      -92.2  
1 1 1 16 4  18 o 20.76000       0.8664000     403.7468      113.9  
1 1 1 16 4  19 o 32.50000       1.078000      679.0402      100.3  
1 1 1 16 4  20 o 19.07000       0.9573000     901.1342      72.0   
1 1 1 16 4  21 o 251.3000       5.130000      2276.722      -155.6 
1 1 1 16 4  22 o 215.6000       4.468000      2075.610      118.2  
1 1 1 16 4  23 o 100.6000       2.693000      1570.823      71.6   
1 1 1 16 4  24 f 582.9000       15.05000      3624.035      62.0   
1 1 1 16 4  25 o 34.83000       1.738000      1314.729      10.1   
1 1 1 16 4  26 o 85.55000       2.550000      1162.216      174.9  
1 1 1 16 4  27 o 36.00000       1.699000      932.0937      32.1   
1 1 1 16 4  28 o 19.52000       1.647000      459.7313      75.7   
1 1 1 16 4  29 f 20.51000       1.595000      410.1365      20.0   
1 1 1 16 4  30 o 12.63000       1.350000      494.2409      130.3  
1 1 1 16 4  31 o 28.99000       1.344000      708.8312      175.6  
1 1 1 16 4  32 o 65.95000       1.977000      1401.949      -145.4 
1 1 1 16 4  33 o 59.70000       1.870000      886.4217      70.2   
1 1 1 16 4  34 o 103.5000       2.686000      1533.581      169.9  
1 1 1 16 4  35 o 50.87000       1.748000      1036.193      56.8   
1 1 1 16 4  36 o 12.63000       1.126000      541.4823      52.5   
1 1 1 16 4  37 o 51.64000       1.628000      1016.417      -2.9   
1 1 1 16 4  38 o 11.76000       1.197000      498.3558      131.2  
1 1 1 16 4  39 o 5.786000       1.070000      365.6237      111.5  
1 1 1 16 4  40 o 5.253000       1.135000      357.0928      55.2   
1 1 1 16 4  41 o 13.80000       1.221000      511.9921      159.5  
1 1 1 16 4  42 o 10.92000       1.129000      357.2573      12.2   
1 1 1 16 4  43 o 26.43000       1.385000      700.6263      3.6    
1 1 1 16 4  44 o 19.11000       1.543000      686.7258      -129.1 
1 1 1 16 4  45 o 28.44000       1.566000      738.9156      -47.6  
1 1 1 16 4  46 o 5.484000       1.272000      450.0715      15.7   
1 1 1 16 4  47 o 16.27000       1.514000      536.6793      26.8   
1 1 1 16 4  48 o 4.412000       1.549000      356.0303      -166.9 
1 1 1 16 4  49 o 24.20000       1.547000      757.9888      -142.1 
1 1 1 16 4  50 o 0.4270000      1.261000      187.9883      -24.2  
1 1 1 16 4  51 o 5.898000       1.391000      367.6935      70.9   
1 1 1 16 4  52 o 2.845000       1.413000      254.6446      -62.1  
1 1 1 16 4  53 o 9.491000       1.402000      398.4792      -86.5  
1 1 1 16 4  54 o 16.98000       1.632000      503.6732      87.7   
1 1 1 16 4  55 o 14.09000       1.526000      499.1252      126.4  
1 1 1 16 4  56 o -0.1915000     1.414000      135.1293      -61.3  
1 1 1 16 4  57 o 12.80000       1.609000      495.4224      -32.4  
1 1 1 16 4  58 o 5.567000       1.538000      ?             ?      
1 1 1 16 4  59 o 4.381000       1.489000      ?             ?      
1 1 1 16 4  60 o 5.974000       1.760000      ?             ?      
1 1 1 16 4  61 o 0.2928000E-01  1.752000      ?             ?      
1 1 1 16 4  62 o 14.30000       1.513000      ?             ?      
1 1 1 16 4  63 o 4.458000       1.475000      ?             ?      
1 1 1 16 4  64 o 1.951000       1.615000      ?             ?      
1 1 1 16 4  65 o -0.5270000     1.409000      ?             ?      
1 1 1 16 4  66 o 0.6519000      1.296000      ?             ?      
1 1 1 16 4  67 o 3.341000       1.317000      ?             ?      
1 1 1 16 4  68 o 1.720000       1.306000      ?             ?      
1 1 1 16 4  69 o 3.971000       1.458000      ?             ?      
1 1 1 16 4  70 o 2.315000       1.344000      ?             ?      
1 1 1 16 4  71 o 2.559000       1.349000      ?             ?      
1 1 1 16 4  72 o 0.2773000      1.363000      ?             ?      
1 1 1 16 4  73 o -0.5283000     1.491000      ?             ?      
1 1 1 16 5  0  o 5.123000       0.6289000     403.1896      0.0    
1 1 1 16 5  1  o 6.551000       0.4545000     530.1945      -66.5  
1 1 1 16 5  2  o 13.28000       0.7997000     687.8089      175.3  
1 1 1 16 5  3  o 21.64000       0.7043000     1029.753      8.8    
1 1 1 16 5  4  f 27.08000       0.7051000     950.5060      94.6   
1 1 1 16 5  5  o 8.663000       0.4560000     565.8104      164.5  
1 1 1 16 5  6  o 56.33000       1.199000      1164.350      -127.3 
1 1 1 16 5  7  o 4.034000       0.4138000     489.9732      -136.8 
1 1 1 16 5  8  o 17.69000       0.6058000     557.7974      7.1    
1 1 1 16 5  9  o 5.478000       0.4681000     584.7424      121.4  
1 1 1 16 5  10 o 33.78000       0.9102000     770.1971      19.1   
1 1 1 16 5  11 o 72.36000       1.745000      1553.183      60.3   
1 1 1 16 5  12 o 46.68000       1.251000      1274.654      47.1   
1 1 1 16 5  13 o 157.3000       3.072000      2006.973      -36.9  
1 1 1 16 5  14 o 7.808000       0.6121000     534.8232      23.3   
1 1 1 16 5  15 o 140.7000       3.202000      1743.455      7.6    
1 1 1 16 5  16 o 26.25000       0.8861000     1153.076      -1.7   
1 1 1 16 5  17 o 78.26000       1.784000      1285.631      -24.7  
1 1 1 16 5  18 o 2.404000       0.6947000     639.4136      140.0  
1 1 1 16 5  19 o 49.91000       1.350000      1491.197      -63.6  
1 1 1 16 5  20 o 60.92000       1.585000      1282.271      -178.4 
1 1 1 16 5  21 o 282.1000       5.739000      2889.371      140.5  
1 1 1 16 5  22 o 84.77000       2.348000      1383.944      -81.8  
1 1 1 16 5  23 o 6.412000       1.146000      268.1858      -59.8  
1 1 1 16 5  24 o 23.17000       1.610000      914.7603      -158.2 
1 1 1 16 5  25 o 167.8000       4.186000      1934.560      -174.5 
1 1 1 16 5  26 o 22.94000       1.436000      679.3673      10.4   
1 1 1 16 5  27 o 272.4000       6.090000      2560.801      -173.3 
1 1 1 16 5  28 o 17.61000       1.630000      705.8267      11.6   
1 1 1 16 5  29 o 19.15000       1.647000      483.5347      154.2  
1 1 1 16 5  30 o 25.83000       1.454000      817.4371      -149.3 
1 1 1 16 5  31 o 52.09000       1.752000      1073.504      -132.8 
1 1 1 16 5  32 o 5.713000       1.195000      491.5210      164.2  
1 1 1 16 5  33 o 0.3295000      1.173000      48.30908      -133.9 
1 1 1 16 5  34 o 80.79000       2.086000      1438.330      178.3  
1 1 1 16 5  35 o 13.63000       1.203000      598.3067      37.1   
1 1 1 16 5  36 o 9.602000       1.186000      307.8332      95.8   
1 1 1 16 5  37 o 34.79000       1.377000      976.2657      -163.6 
1 1 1 16 5  38 o 7.008000       1.178000      390.4724      -82.1  
1 1 1 16 5  39 o 18.49000       1.267000      718.4164      171.2  
1 1 1 16 5  40 o 1.784000       1.031000      275.5822      119.6  
1 1 1 16 5  41 o 8.282000       1.087000      383.5857      -76.2  
1 1 1 16 5  42 o 6.246000       1.143000      488.9154      -68.1  
1 1 1 16 5  43 o 3.138000       1.227000      189.2029      96.7   
1 1 1 16 5  44 o 2.983000       1.347000      146.8261      9.8    
1 1 1 16 5  45 o 7.767000       1.239000      360.5417      111.0  
1 1 1 16 5  46 o 8.845000       1.198000      451.6608      -172.3 
1 1 1 16 5  47 o 6.123000       1.298000      456.1662      -21.0  
1 1 1 16 5  48 o 1.988000       1.542000      236.8511      133.6  
1 1 1 16 5  49 o 11.71000       1.560000      538.4665      -94.9  
1 1 1 16 5  50 o 2.490000       1.371000      330.7368      94.4   
1 1 1 16 5  51 o 2.141000       1.291000      337.1281      70.2   
1 1 1 16 5  52 o 11.85000       1.382000      492.0403      104.6  
1 1 1 16 5  53 o 13.37000       1.457000      522.1824      -64.8  
1 1 1 16 5  54 o 15.83000       1.602000      703.7760      -80.4  
1 1 1 16 5  55 o 12.36000       1.500000      576.1096      44.1   
1 1 1 16 5  56 o 6.170000       1.545000      289.4896      -140.8 
1 1 1 16 5  57 o 3.046000       1.517000      240.3496      96.9   
1 1 1 16 5  58 o 1.181000       1.387000      ?             ?      
1 1 1 16 5  59 o 3.703000       1.564000      ?             ?      
1 1 1 16 5  60 o 1.155000       1.669000      ?             ?      
1 1 1 16 5  61 o 15.11000       1.780000      ?             ?      
1 1 1 16 5  62 o 1.932000       1.457000      ?             ?      
1 1 1 16 5  63 o 2.650000       1.463000      ?             ?      
1 1 1 16 5  64 o 0.8749000E-01  1.618000      ?             ?      
1 1 1 16 5  65 o 3.664000       1.722000      ?             ?      
1 1 1 16 5  66 o 0.6176000      1.420000      ?             ?      
1 1 1 16 5  67 o 0.1697000      1.294000      ?             ?      
1 1 1 16 5  68 o 0.7123000E-01  1.300000      ?             ?      
1 1 1 16 5  69 o 2.032000       1.324000      ?             ?      
1 1 1 16 5  70 o 3.225000       1.335000      ?             ?      
1 1 1 16 5  71 o 0.8679000      1.349000      ?             ?      
1 1 1 16 5  72 o 1.464000       1.365000      ?             ?      
1 1 1 16 5  73 o 1.132000       1.466000      ?             ?      
1 1 1 16 6  0  o 0.2497000      0.5389000     264.4565      0.0    
1 1 1 16 6  1  o 1.579000       0.4004000     323.4352      -141.5 
1 1 1 16 6  2  o 11.01000       0.8525000     403.2781      124.3  
1 1 1 16 6  3  o 4.971000       0.4781000     626.9875      -92.0  
1 1 1 16 6  4  o 72.11000       1.650000      1497.358      -48.0  
1 1 1 16 6  5  o 4.975000       0.4482000     208.4362      85.4   
1 1 1 16 6  6  o 65.17000       1.321000      1054.681      169.6  
1 1 1 16 6  7  o 45.38000       1.118000      1002.706      -91.1  
1 1 1 16 6  8  o 4.922000       0.4786000     591.8628      -115.8 
1 1 1 16 6  9  o 48.78000       1.220000      1129.275      142.0  
1 1 1 16 6  10 o 30.64000       0.9133000     994.1064      101.2  
1 1 1 16 6  11 o 16.40000       0.6491000     914.0622      121.9  
1 1 1 16 6  12 o 11.71000       0.6889000     385.8452      77.0   
1 1 1 16 6  13 o 128.4000       2.677000      1858.028      83.9   
1 1 1 16 6  14 o 305.7000       5.821000      2820.697      99.2   
1 1 1 16 6  15 o 44.04000       1.170000      1302.549      -177.8 
1 1 1 16 6  16 o 58.20000       1.424000      1542.549      148.7  
1 1 1 16 6  17 o 18.85000       0.8328000     812.9160      -80.1  
1 1 1 16 6  18 o 79.88000       1.853000      1539.806      78.1   
1 1 1 16 6  19 o 20.88000       0.9477000     808.9329      -156.5 
1 1 1 16 6  20 o 88.30000       2.061000      1500.908      -157.0 
1 1 1 16 6  21 o 1.284000       0.9035000     222.1136      -120.4 
1 1 1 16 6  22 o 102.5000       2.707000      1582.701      37.9   
1 1 1 16 6  23 o 39.51000       1.836000      1152.752      24.1   
1 1 1 16 6  24 o 31.87000       1.500000      882.7938      10.8   
1 1 1 16 6  25 o 17.39000       1.339000      709.6429      -86.0  
1 1 1 16 6  26 o 222.7000       4.701000      2164.803      -100.2 
1 1 1 16 6  27 o 14.81000       1.747000      617.4557      19.8   
1 1 1 16 6  28 o 13.61000       1.642000      493.2368      1.3    
1 1 1 16 6  29 o 83.34000       2.640000      1276.461      -82.1  
1 1 1 16 6  30 o 24.64000       1.528000      765.8804      -99.5  
1 1 1 16 6  31 o 5.088000       1.176000      378.0442      -170.2 
1 1 1 16 6  32 o 5.153000       1.069000      351.7412      53.0   
1 1 1 16 6  33 o 12.30000       1.173000      288.6272      163.8  
1 1 1 16 6  34 o 12.05000       1.124000      472.1491      133.7  
1 1 1 16 6  35 o 16.19000       1.168000      875.5708      -21.5  
1 1 1 16 6  36 o 4.405000       1.238000      545.5771      101.9  
1 1 1 16 6  37 o 7.885000       1.089000      530.4265      54.5   
1 1 1 16 6  38 o 17.82000       1.156000      732.6727      -56.3  
1 1 1 16 6  39 o 2.268000       1.029000      240.4814      -137.7 
1 1 1 16 6  40 o 3.160000       1.043000      250.2912      -65.8  
1 1 1 16 6  41 o 18.75000       1.185000      574.7178      -16.2  
1 1 1 16 6  42 o 14.68000       1.227000      598.4991      -70.7  
1 1 1 16 6  43 o 4.710000       1.316000      318.2947      -77.0  
1 1 1 16 6  44 o 6.364000       1.265000      335.8763      6.0    
1 1 1 16 6  45 o 21.64000       1.305000      740.1557      37.2   
1 1 1 16 6  46 o -0.1299000     1.127000      172.7892      17.1   
1 1 1 16 6  47 f 12.62000       1.352000      484.8974      -43.2  
1 1 1 16 6  48 o 7.798000       1.463000      430.2397      108.5  
1 1 1 16 6  49 o 7.010000       1.632000      297.9137      -126.4 
1 1 1 16 6  50 o 3.162000       1.407000      210.6841      163.3  
1 1 1 16 6  51 o 0.6338000      1.293000      163.7153      72.9   
1 1 1 16 6  52 o 1.690000       1.321000      206.8846      -9.4   
1 1 1 16 6  53 o 10.70000       1.550000      407.8321      155.7  
1 1 1 16 6  54 o 14.21000       1.489000      620.7332      111.1  
1 1 1 16 6  55 o 12.20000       1.490000      488.9245      -73.0  
1 1 1 16 6  56 o 3.959000       1.527000      321.7991      50.2   
1 1 1 16 6  57 o 4.138000       1.522000      198.4120      21.2   
1 1 1 16 6  58 o 2.674000       1.583000      ?             ?      
1 1 1 16 6  59 o 6.891000       1.778000      ?             ?      
1 1 1 16 6  60 o 8.697000       1.800000      ?             ?      
1 1 1 16 6  61 o 8.111000       1.617000      ?             ?      
1 1 1 16 6  62 o 0.5812000E-01  1.439000      ?             ?      
1 1 1 16 6  63 o 0.9374000      1.458000      ?             ?      
1 1 1 16 6  64 o 3.474000       1.753000      ?             ?      
1 1 1 16 6  65 o -1.435000      1.643000      ?             ?      
1 1 1 16 6  66 o 0.8116000      1.423000      ?             ?      
1 1 1 16 6  67 o -0.1259000     1.309000      ?             ?      
1 1 1 16 6  68 o 1.708000       1.312000      ?             ?      
1 1 1 16 6  69 o 2.012000       1.336000      ?             ?      
1 1 1 16 6  70 o 1.640000       1.353000      ?             ?      
1 1 1 16 6  71 o 0.7966000      1.352000      ?             ?      
1 1 1 16 6  72 f 0.7081000      1.917000      ?             ?      
1 1 1 16 6  73 o -0.3796000     1.732000      ?             ?      
1 1 1 16 7  0  o 0.9418000      0.5514000     42.83341      0.0    
1 1 1 16 7  1  o 15.02000       0.6550000     868.7219      -42.4  
1 1 1 16 7  2  o 15.80000       0.8293000     676.0671      54.4   
1 1 1 16 7  3  o 14.85000       0.6615000     734.3502      -52.3  
1 1 1 16 7  4  o 2.085000       0.4476000     337.3495      31.5   
1 1 1 16 7  5  o 22.01000       0.6810000     674.7596      -51.3  
1 1 1 16 7  6  o -0.8057000     0.4501000     207.8476      -174.4 
1 1 1 16 7  7  o 3.559000       0.4476000     363.5005      -101.9 
1 1 1 16 7  8  o 7.214000       0.4826000     692.3428      80.0   
1 1 1 16 7  9  o 25.02000       0.7839000     1027.448      -169.6 
1 1 1 16 7  10 o 8.217000       0.5321000     469.6620      -143.2 
1 1 1 16 7  11 o 34.90000       0.9676000     1324.988      89.5   
1 1 1 16 7  12 o 7.936000       0.5674000     34.32299      -16.0  
1 1 1 16 7  13 o 5.952000       0.5821000     471.9101      -96.9  
1 1 1 16 7  14 o 5.073000       0.6179000     451.7342      28.8   
1 1 1 16 7  15 o 35.09000       0.9957000     990.3486      -46.5  
1 1 1 16 7  16 o 32.67000       1.010000      928.9778      -147.9 
1 1 1 16 7  17 o 37.67000       1.212000      1352.333      -102.9 
1 1 1 16 7  18 o 0.9571000      0.7315000     279.4569      8.1    
1 1 1 16 7  19 o 47.68000       1.342000      841.4445      -158.7 
1 1 1 16 7  20 o 27.91000       1.083000      1043.455      128.2  
1 1 1 16 7  21 o 27.97000       1.202000      833.3019      -75.1  
1 1 1 16 7  22 o 8.142000       1.102000      270.9215      99.1   
1 1 1 16 7  23 o 35.20000       1.748000      1063.037      111.5  
1 1 1 16 7  24 o 7.331000       1.458000      238.8367      36.5   
1 1 1 16 7  25 o 11.72000       1.332000      672.8215      115.3  
1 1 1 16 7  26 o 26.59000       1.363000      852.1218      69.8   
1 1 1 16 7  27 o 72.53000       2.364000      1434.718      133.2  
1 1 1 16 7  28 o 48.72000       2.085000      1132.474      16.5   
1 1 1 16 7  29 o 4.995000       1.449000      357.2896      -167.7 
1 1 1 16 7  30 o 20.62000       1.521000      684.6561      -124.1 
1 1 1 16 7  31 o 3.325000       1.255000      543.0273      -144.7 
1 1 1 16 7  32 o 8.111000       1.175000      402.2835      93.2   
1 1 1 16 7  33 o 36.53000       1.494000      879.9540      138.6  
1 1 1 16 7  34 o 1.076000       1.131000      133.4702      39.4   
1 1 1 16 7  35 o 16.41000       1.148000      787.9414      45.3   
1 1 1 16 7  36 o 5.156000       1.063000      93.34963      -91.8  
1 1 1 16 7  37 o 26.27000       1.262000      944.6086      -174.7 
1 1 1 16 7  38 o 8.101000       1.074000      389.8050      93.4   
1 1 1 16 7  39 o 15.64000       1.142000      537.7568      69.0   
1 1 1 16 7  40 o 23.97000       1.247000      851.2925      -53.6  
1 1 1 16 7  41 o 9.141000       1.113000      301.5294      84.0   
1 1 1 16 7  42 o 3.147000       1.203000      314.3624      19.5   
1 1 1 16 7  43 o 1.102000       1.298000      114.3898      -118.1 
1 1 1 16 7  44 o 3.049000       1.182000      301.7224      -24.6  
1 1 1 16 7  45 o 18.93000       1.264000      680.6133      143.9  
1 1 1 16 7  46 o 7.752000       1.191000      319.4024      -149.4 
1 1 1 16 7  47 o 0.5214000      1.291000      105.2278      40.4   
1 1 1 16 7  48 o 4.351000       1.346000      332.5639      69.5   
1 1 1 16 7  49 o 15.85000       1.719000      519.3206      -136.3 
1 1 1 16 7  50 o 3.382000       1.522000      156.0617      -17.7  
1 1 1 16 7  51 o 6.628000       1.459000      417.6555      115.7  
1 1 1 16 7  52 o 0.9314000      1.324000      78.73263      177.5  
1 1 1 16 7  53 o 5.038000       1.382000      274.3853      -61.3  
1 1 1 16 7  54 o 5.806000       1.430000      416.9851      -80.2  
1 1 1 16 7  55 o 0.9299000      1.405000      233.9964      173.5  
1 1 1 16 7  56 o -0.1242000     1.384000      113.6424      -54.9  
1 1 1 16 7  57 o 0.5844000      1.379000      151.2973      116.1  
1 1 1 16 7  58 o 3.750000       1.628000      ?             ?      
1 1 1 16 7  59 o 1.186000       1.752000      ?             ?      
1 1 1 16 7  60 o 3.391000       1.611000      ?             ?      
1 1 1 16 7  61 o 1.043000       1.462000      ?             ?      
1 1 1 16 7  62 o 0.1151000      1.331000      ?             ?      
1 1 1 16 7  63 o -0.9586000     1.318000      ?             ?      
1 1 1 16 7  64 o 1.360000       1.622000      ?             ?      
1 1 1 16 7  65 o -0.1030000     1.719000      ?             ?      
1 1 1 16 7  66 o -0.9340000     1.705000      ?             ?      
1 1 1 16 7  67 o 0.8150000      1.503000      ?             ?      
1 1 1 16 7  68 o 2.737000       1.315000      ?             ?      
1 1 1 16 7  69 o -1.097000      1.325000      ?             ?      
1 1 1 16 7  70 o -0.4912000     1.333000      ?             ?      
1 1 1 16 7  71 o 0.9096000      1.359000      ?             ?      
1 1 1 16 7  72 o -1.270000      1.476000      ?             ?      
1 1 1 16 7  73 o -0.5080000     1.644000      ?             ?      
1 1 1 16 8  0  o -0.9279000E-01 0.5533000     304.5667      -0.0   
1 1 1 16 8  1  o -0.2993000     0.3920000     153.0123      115.3  
1 1 1 16 8  2  o 3.482000       0.4330000     288.4056      60.0   
1 1 1 16 8  3  o 8.336000       0.5450000     478.5702      -134.7 
1 1 1 16 8  4  o 21.28000       0.8290000     710.0280      -1.6   
1 1 1 16 8  5  o 4.048000       0.5339000     253.3851      79.7   
1 1 1 16 8  6  o 7.867000       0.5111000     530.4193      173.3  
1 1 1 16 8  7  o 6.781000       0.5453000     292.0176      91.5   
1 1 1 16 8  8  o 6.327000       0.4928000     258.6140      41.2   
1 1 1 16 8  9  o 0.8052000      0.4615000     107.3443      -137.2 
1 1 1 16 8  10 o 2.091000       0.5074000     234.7042      -26.0  
1 1 1 16 8  11 o 8.954000       0.5780000     585.1176      -163.6 
1 1 1 16 8  12 o 1.687000       0.5324000     528.5999      109.5  
1 1 1 16 8  13 o 71.02000       1.783000      1731.590      77.9   
1 1 1 16 8  14 o 26.33000       0.9516000     745.1721      66.6   
1 1 1 16 8  15 o 2.738000       0.6125000     317.0286      -11.8  
1 1 1 16 8  16 o 1.447000       0.6551000     336.4107      -18.8  
1 1 1 16 8  17 o 39.68000       1.166000      1021.408      -39.9  
1 1 1 16 8  18 o 23.05000       0.9582000     700.0784      25.0   
1 1 1 16 8  19 o 5.022000       0.8199000     258.1416      -150.3 
1 1 1 16 8  20 o 34.52000       1.300000      942.8171      -124.2 
1 1 1 16 8  21 o 2.881000       1.005000      587.2051      -17.7  
1 1 1 16 8  22 o 26.00000       1.969000      687.2651      57.6   
1 1 1 16 8  23 o 14.36000       1.280000      677.1760      -126.9 
1 1 1 16 8  24 o 13.15000       1.268000      577.6870      -50.0  
1 1 1 16 8  25 o 15.64000       1.331000      575.2762      -172.8 
1 1 1 16 8  26 o 38.31000       1.513000      1262.954      -95.7  
1 1 1 16 8  27 o 7.184000       1.188000      489.6427      -78.5  
1 1 1 16 8  28 o 41.28000       1.680000      847.1122      -110.8 
1 1 1 16 8  29 o 26.20000       1.461000      556.8921      -40.1  
1 1 1 16 8  30 o 2.553000       1.369000      460.4695      -157.6 
1 1 1 16 8  31 o 4.182000       1.461000      362.5959      121.8  
1 1 1 16 8  32 o 2.719000       1.147000      116.5626      39.5   
1 1 1 16 8  33 o 4.874000       1.049000      251.8442      24.7   
1 1 1 16 8  34 o 1.995000       1.022000      83.02350      31.6   
1 1 1 16 8  35 o 12.18000       1.106000      624.6393      104.1  
1 1 1 16 8  36 o 3.110000       1.032000      291.9474      137.7  
1 1 1 16 8  37 o 0.9179000      1.032000      76.07719      9.6    
1 1 1 16 8  38 o 12.22000       1.095000      595.3157      -98.0  
1 1 1 16 8  39 o -0.7564000     1.025000      86.31682      22.4   
1 1 1 16 8  40 o 6.404000       1.065000      226.5884      -47.4  
1 1 1 16 8  41 o 3.386000       1.110000      250.3216      53.4   
1 1 1 16 8  42 o -0.9449000E-02 1.261000      143.3038      -97.8  
1 1 1 16 8  43 o 10.80000       1.310000      528.9780      48.5   
1 1 1 16 8  44 o 8.145000       1.159000      375.3095      13.8   
1 1 1 16 8  45 o 0.7274000      1.120000      162.2018      -44.6  
1 1 1 16 8  46 o 11.51000       1.225000      448.1593      -88.7  
1 1 1 16 8  47 o -1.355000      1.176000      75.03619      -43.8  
1 1 1 16 8  48 o 9.053000       1.378000      395.7177      115.2  
1 1 1 16 8  49 o 1.514000       1.472000      171.5273      -130.4 
1 1 1 16 8  50 o 1.166000       1.626000      193.3307      -46.5  
1 1 1 16 8  51 o 1.502000       1.435000      228.2616      121.1  
1 1 1 16 8  52 o 3.904000       1.362000      261.0037      145.5  
1 1 1 16 8  53 o 1.518000       1.372000      165.0058      63.6   
1 1 1 16 8  54 o 4.542000       1.421000      214.1422      63.4   
1 1 1 16 8  55 o 1.611000       1.393000      219.7365      -27.4  
1 1 1 16 8  56 o -0.7051000E-01 1.380000      46.93265      84.3   
1 1 1 16 8  57 o 1.771000       1.389000      137.4738      89.7   
1 1 1 16 8  58 o 8.686000       1.605000      ?             ?      
1 1 1 16 8  59 o 0.1646000      1.711000      ?             ?      
1 1 1 16 8  60 o 1.972000       1.445000      ?             ?      
1 1 1 16 8  61 o -0.4581000     1.434000      ?             ?      
1 1 1 16 8  62 o 0.8038000E-01  1.332000      ?             ?      
1 1 1 16 8  63 o 1.197000       1.421000      ?             ?      
1 1 1 16 8  64 o 0.6107000      1.616000      ?             ?      
1 1 1 16 8  65 o -2.615000      1.529000      ?             ?      
1 1 1 16 8  66 o 1.067000       1.722000      ?             ?      
1 1 1 16 8  67 o 0.4344000      1.594000      ?             ?      
1 1 1 16 8  68 o 3.017000       1.418000      ?             ?      
1 1 1 16 8  69 o -0.4707000     1.410000      ?             ?      
1 1 1 16 8  70 o 2.191000       1.359000      ?             ?      
1 1 1 16 8  71 o 0.6955000      1.352000      ?             ?      
1 1 1 16 8  72 o 0.5947000      1.563000      ?             ?      
1 1 1 16 8  73 o 3.347000       1.763000      ?             ?      
1 1 1 16 9  0  o 0.7207000      0.5617000     131.4792      -0.0   
1 1 1 16 9  1  o 3.948000       0.4651000     346.7047      -30.5  
1 1 1 16 9  2  o 4.654000       0.4690000     343.1032      136.3  
1 1 1 16 9  3  o 1.264000       0.4413000     124.4289      16.1   
1 1 1 16 9  4  o 5.283000       0.4904000     310.0685      44.2   
1 1 1 16 9  5  o 1.255000       0.4662000     154.4438      -79.5  
1 1 1 16 9  6  o 2.308000       0.4949000     315.4463      119.4  
1 1 1 16 9  7  o 2.920000       0.5017000     319.8364      10.0   
1 1 1 16 9  8  o 0.4180000      0.4805000     191.4493      -161.7 
1 1 1 16 9  9  o 6.216000       0.5237000     426.1414      -146.8 
1 1 1 16 9  10 o 3.898000       0.5283000     434.2748      70.1   
1 1 1 16 9  11 o 12.43000       0.6795000     748.1132      138.7  
1 1 1 16 9  12 o 2.511000       0.5526000     239.1458      -132.5 
1 1 1 16 9  13 o 1.713000       0.5739000     138.1622      83.3   
1 1 1 16 9  14 o 10.09000       0.7134000     402.3493      76.1   
1 1 1 16 9  15 o -0.3094000     0.6027000     190.2543      54.4   
1 1 1 16 9  16 o 1.590000       0.6468000     234.3354      -176.8 
1 1 1 16 9  17 o 1.516000       0.7092000     55.11268      22.1   
1 1 1 16 9  18 o 14.41000       0.8711000     666.2399      107.9  
1 1 1 16 9  19 o 3.040000       0.9651000     292.4337      -116.8 
1 1 1 16 9  20 o 2.519000       1.031000      200.7076      15.2   
1 1 1 16 9  21 o 1.431000       1.017000      209.7255      -39.7  
1 1 1 16 9  22 o 51.31000       4.445000      863.0389      100.5  
1 1 1 16 9  23 o 8.067000       1.460000      464.3732      -21.5  
1 1 1 16 9  24 o 13.81000       1.154000      588.9986      35.2   
1 1 1 16 9  25 o 17.04000       1.397000      609.7515      58.1   
1 1 1 16 9  26 o 6.847000       1.252000      538.8700      28.9   
1 1 1 16 9  27 o 5.299000       1.116000      452.9236      15.4   
1 1 1 16 9  28 o 14.31000       1.219000      393.2325      40.5   
1 1 1 16 9  29 o 3.391000       1.210000      299.0231      -169.4 
1 1 1 16 9  30 o 5.795000       1.364000      292.6132      -36.5  
1 1 1 16 9  31 o 5.611000       1.199000      350.0818      54.8   
1 1 1 16 9  32 o 1.949000       1.234000      135.4265      108.6  
1 1 1 16 9  33 o 1.110000       1.120000      156.5083      40.7   
1 1 1 16 9  34 o 9.476000       1.066000      300.0371      103.7  
1 1 1 16 9  35 o 2.137000       1.012000      89.87875      121.4  
1 1 1 16 9  36 o 3.097000       1.033000      305.9287      -125.7 
1 1 1 16 9  37 o 5.012000       1.046000      341.6493      111.0  
1 1 1 16 9  38 o 8.186000       1.077000      470.1603      52.3   
1 1 1 16 9  39 o 8.573000       1.086000      480.7210      -22.3  
1 1 1 16 9  40 o 0.8096000      1.029000      46.69822      -44.0  
1 1 1 16 9  41 o 8.798000       1.210000      514.3418      115.0  
1 1 1 16 9  42 o 0.6043000      1.268000      198.5710      103.9  
1 1 1 16 9  43 o 1.988000       1.171000      80.91496      148.2  
1 1 1 16 9  44 o 3.001000       1.118000      265.9998      28.9   
1 1 1 16 9  45 o 3.536000       1.140000      250.9328      -156.6 
1 1 1 16 9  46 o 4.700000       1.173000      267.2325      -31.0  
1 1 1 16 9  47 o 3.047000       1.176000      213.0289      124.3  
1 1 1 16 9  48 o 0.8508000      1.317000      137.8023      -28.4  
1 1 1 16 9  49 o 3.511000       1.454000      219.6562      -135.2 
1 1 1 16 9  50 o -1.424000      1.626000      93.41270      45.2   
1 1 1 16 9  51 o 0.2685000      1.555000      257.5638      92.0   
1 1 1 16 9  52 o -0.5593000     1.447000      23.60382      121.5  
1 1 1 16 9  53 o 3.553000       1.375000      197.0590      -117.6 
1 1 1 16 9  54 o 0.2465000      1.387000      208.4910      -142.4 
1 1 1 16 9  55 o 0.2423000E-01  1.391000      179.7881      175.0  
1 1 1 16 9  56 o 2.118000       1.388000      182.0320      64.1   
1 1 1 16 9  57 o 1.639000       1.452000      77.00059      -19.9  
1 1 1 16 9  58 o 2.042000       1.704000      ?             ?      
1 1 1 16 9  59 o 4.137000       1.547000      ?             ?      
1 1 1 16 9  60 o -0.6841000     1.335000      ?             ?      
1 1 1 16 9  61 o -1.791000      1.327000      ?             ?      
1 1 1 16 9  62 o 0.2154000      1.325000      ?             ?      
1 1 1 16 9  63 o -0.6662000     1.403000      ?             ?      
1 1 1 16 9  64 o -0.7982000     1.413000      ?             ?      
1 1 1 16 9  65 o 0.3707000      1.614000      ?             ?      
1 1 1 16 9  66 o -0.6247000     1.693000      ?             ?      
1 1 1 16 9  67 o -2.177000      1.520000      ?             ?      
1 1 1 16 9  68 o -1.892000      1.603000      ?             ?      
1 1 1 16 9  69 o 0.5999000      1.422000      ?             ?      
1 1 1 16 9  70 o -1.432000      1.424000      ?             ?      
1 1 1 16 9  71 o 1.998000       1.458000      ?             ?      
1 1 1 16 9  72 o -1.831000      1.698000      ?             ?      
1 1 1 16 9  73 o -0.7694000     1.568000      ?             ?      
1 1 1 16 10 0  o -0.3673000     0.6798000     421.1965      -180.0 
1 1 1 16 10 1  o 0.5880000      0.4108000     187.2708      -147.8 
1 1 1 16 10 2  o 1.278000       0.4259000     179.2662      95.6   
1 1 1 16 10 3  o 1.515000       0.4531000     109.6954      -132.0 
1 1 1 16 10 4  o -0.5544000     0.4611000     242.3752      102.2  
1 1 1 16 10 5  o 1.563000       0.5980000     136.2917      -136.2 
1 1 1 16 10 6  o 1.174000       0.5026000     189.5663      83.0   
1 1 1 16 10 7  o 0.8679000      0.5241000     228.4454      135.5  
1 1 1 16 10 8  o -0.5518000E-01 0.6216000     59.03121      44.8   
1 1 1 16 10 9  o 1.274000       0.5226000     173.3843      -54.8  
1 1 1 16 10 10 o -0.5298000     0.5182000     106.7199      -135.2 
1 1 1 16 10 11 o 2.832000       0.5596000     173.1168      -118.1 
1 1 1 16 10 12 o -0.2428000     0.5699000     67.84192      140.7  
1 1 1 16 10 13 o 2.305000       0.5827000     242.5125      60.0   
1 1 1 16 10 14 o -0.3138000     0.5930000     93.68878      40.2   
1 1 1 16 10 15 o -0.2733000     0.6256000     40.62761      -145.0 
1 1 1 16 10 16 o -0.6329000     0.7940000     209.5025      -94.8  
1 1 1 16 10 17 o 0.2135000      0.8534000     146.3481      30.9   
1 1 1 16 10 18 o 3.253000       0.7935000     202.6403      -26.4  
1 1 1 16 10 19 f 1.252000       0.8367000     244.2811      -38.1  
1 1 1 16 10 20 o 1.906000       1.126000      89.07401      -134.6 
1 1 1 16 10 21 o 1.550000       1.147000      89.16209      79.3   
1 1 1 16 10 22 o 0.4090000E-02  1.131000      70.95241      -147.7 
1 1 1 16 10 23 o 10.20000       1.229000      267.5195      -137.8 
1 1 1 16 10 24 o 2.866000       1.091000      40.43721      77.4   
1 1 1 16 10 25 o 2.688000       1.122000      185.7678      -149.5 
1 1 1 16 10 26 o 1.802000       1.147000      84.39979      82.1   
1 1 1 16 10 27 o 2.918000       1.032000      379.9921      -115.6 
1 1 1 16 10 28 o 1.377000       1.094000      252.0729      -112.9 
1 1 1 16 10 29 o 3.240000       1.116000      405.0816      108.4  
1 1 1 16 10 30 o 3.870000       1.227000      327.7210      127.6  
1 1 1 16 10 31 o 3.846000       1.389000      97.71960      158.6  
1 1 1 16 10 32 o 2.925000       1.234000      58.67455      55.1   
1 1 1 16 10 33 o 3.253000       1.123000      317.5479      33.5   
1 1 1 16 10 34 o 5.377000       1.053000      316.2373      164.1  
1 1 1 16 10 35 f 2.078000       1.021000      250.2411      -140.9 
1 1 1 16 10 36 o 3.164000       1.028000      225.4840      -73.2  
1 1 1 16 10 37 o 0.1661000      1.013000      215.9818      -90.6  
1 1 1 16 10 38 o 0.8278000      1.035000      179.1076      -179.9 
1 1 1 16 10 39 o 0.4863000      1.020000      7.098131      -81.9  
1 1 1 16 10 40 o -1.141000      1.061000      118.6710      -99.7  
1 1 1 16 10 41 o 2.138000       1.243000      126.1905      140.5  
1 1 1 16 10 42 o 1.239000       1.180000      179.4937      160.9  
1 1 1 16 10 43 o -1.041000      1.065000      96.82053      -91.7  
1 1 1 16 10 44 o 0.8977000      1.091000      72.97841      -42.5  
1 1 1 16 10 45 o 3.489000       1.138000      207.2369      12.9   
1 1 1 16 10 46 o 0.2762000      1.142000      50.83123      -62.6  
1 1 1 16 10 47 o -1.222000      1.159000      64.23624      131.0  
1 1 1 16 10 48 o -1.353000      1.196000      196.9802      -119.1 
1 1 1 16 10 49 o 1.669000       1.345000      68.05286      -77.6  
1 1 1 16 10 50 o 1.137000       1.398000      107.2011      115.7  
1 1 1 16 10 51 o 7.196000       1.804000      276.2354      156.9  
1 1 1 16 10 52 o 0.5099000      1.452000      120.7983      8.8    
1 1 1 16 10 53 o -1.692000      1.374000      21.27177      -166.7 
1 1 1 16 10 54 o 0.6363000      1.369000      95.63258      -51.5  
1 1 1 16 10 55 o -0.7003000     1.373000      45.90252      -140.5 
1 1 1 16 10 56 o 1.980000       1.377000      152.0221      118.7  
1 1 1 16 10 57 o 0.5598000      1.525000      68.26176      44.9   
1 1 1 16 10 58 o -1.824000      1.683000      ?             ?      
1 1 1 16 10 59 o 1.598000       1.429000      ?             ?      
1 1 1 16 10 60 o 1.105000       1.353000      ?             ?      
1 1 1 16 10 61 o 0.7492000      1.328000      ?             ?      
1 1 1 16 10 62 o 0.4103000E-02  1.320000      ?             ?      
1 1 1 16 10 63 o -1.281000      1.328000      ?             ?      
1 1 1 16 10 64 o -1.179000      1.331000      ?             ?      
1 1 1 16 10 65 o 1.419000       1.520000      ?             ?      
1 1 1 16 10 66 o 0.5207000      1.636000      ?             ?      
1 1 1 16 10 67 o 1.619000       1.739000      ?             ?      
1 1 1 16 10 68 o 3.209000       1.634000      ?             ?      
1 1 1 16 10 69 o 0.3866000      1.330000      ?             ?      
1 1 1 16 10 70 o 0.5852000      1.444000      ?             ?      
1 1 1 16 10 71 o -0.6990000     1.681000      ?             ?      
1 1 1 16 10 72 o 1.872000       1.715000      ?             ?      
1 1 1 16 10 73 o -0.8355000     1.668000      ?             ?      
1 1 1 16 11 0  o -0.6298000     0.5753000     156.8583      -0.0   
1 1 1 16 11 1  o -0.9919000     0.4244000     243.7892      169.6  
1 1 1 16 11 2  o -1.316000      0.4407000     16.83986      -53.7  
1 1 1 16 11 3  o 0.6524000      0.4633000     101.1627      26.3   
1 1 1 16 11 4  o -0.5470000     0.5032000     147.3401      -117.9 
1 1 1 16 11 5  o -1.216000      0.4936000     237.9897      -138.4 
1 1 1 16 11 6  o -0.3323000     0.5148000     209.1815      58.1   
1 1 1 16 11 7  o 0.1524000      0.5572000     198.4624      -142.2 
1 1 1 16 11 8  o -0.3909000     0.6414000     184.1806      -145.9 
1 1 1 16 11 9  o 1.159000       0.5462000     76.93087      132.0  
1 1 1 16 11 10 o 0.5566000E-01  0.5512000     215.0493      86.5   
1 1 1 16 11 11 o 1.038000       0.5689000     147.3687      -1.7   
1 1 1 16 11 12 o 0.7863000      0.5880000     217.3648      136.7  
1 1 1 16 11 13 o 0.6512000E-01  0.6158000     170.8491      -179.0 
1 1 1 16 11 14 o 0.8466000      0.7443000     206.0846      160.1  
1 1 1 16 11 15 o 0.2389000      0.8195000     153.0237      178.4  
1 1 1 16 11 16 o -0.1848000     0.7081000     124.4881      -1.8   
1 1 1 16 11 17 o 1.520000       0.8430000     250.0423      87.8   
1 1 1 16 11 18 o 2.094000       0.9099000     357.6104      151.3  
1 1 1 16 11 19 o 0.4571000      0.8752000     234.9480      27.3   
1 1 1 16 11 20 o 0.8498000      1.032000      199.4369      96.9   
1 1 1 16 11 21 o 1.911000       1.336000      187.6403      -154.1 
1 1 1 16 11 22 o 1.196000       1.086000      134.8430      -139.4 
1 1 1 16 11 23 o 0.7610000      1.106000      190.1786      -86.2  
1 1 1 16 11 24 o 1.356000       1.156000      104.5842      78.3   
1 1 1 16 11 25 o 0.3070000      1.091000      91.69308      132.8  
1 1 1 16 11 26 o 0.7027000      1.014000      162.1843      57.9   
1 1 1 16 11 27 o -0.9121000     0.9825000     305.0394      13.0   
1 1 1 16 11 28 o 4.191000       1.021000      99.07672      -130.2 
1 1 1 16 11 29 o 1.357000       1.092000      124.8455      110.0  
1 1 1 16 11 30 o 2.749000       1.203000      178.7131      -47.8  
1 1 1 16 11 31 o 4.767000       1.373000      223.9646      -150.4 
1 1 1 16 11 32 o 1.658000       1.120000      207.4951      -48.7  
1 1 1 16 11 33 o 2.698000       1.255000      78.44068      59.0   
1 1 1 16 11 34 o 0.3919000      1.131000      180.3092      176.3  
1 1 1 16 11 35 o 2.007000       1.033000      93.54302      -15.1  
1 1 1 16 11 36 o 2.980000       1.006000      187.3838      -34.0  
1 1 1 16 11 37 o 1.953000       1.026000      85.29306      -138.0 
1 1 1 16 11 38 o 7.420000       1.079000      273.8726      128.1  
1 1 1 16 11 39 o -1.516000      1.016000      104.9160      18.5   
1 1 1 16 11 40 o -0.5379000     1.114000      92.43422      -31.0  
1 1 1 16 11 41 o 1.999000       1.251000      149.6047      109.9  
1 1 1 16 11 42 o -0.2800000     1.159000      32.81820      58.7   
1 1 1 16 11 43 o 0.1666000      1.064000      197.5096      -113.3 
1 1 1 16 11 44 o 0.9629000      1.093000      156.0603      -49.0  
1 1 1 16 11 45 o 1.554000       1.121000      86.40017      -115.2 
1 1 1 16 11 46 o 4.463000       1.158000      241.0533      79.3   
1 1 1 16 11 47 o 1.248000       1.164000      178.5139      -154.5 
1 1 1 16 11 48 o 2.950000       1.203000      157.1797      85.2   
1 1 1 16 11 49 o -0.2251000     1.340000      117.9167      169.1  
1 1 1 16 11 50 o 1.537000       1.512000      15.55888      29.4   
1 1 1 16 11 51 o 3.431000       1.741000      251.5929      107.7  
1 1 1 16 11 52 o 0.4912000      1.591000      96.80499      -62.0  
1 1 1 16 11 53 o 5.573000       1.509000      206.0399      -119.3 
1 1 1 16 11 54 o 3.810000       1.376000      245.5729      -123.0 
1 1 1 16 11 55 o 0.5222000      1.364000      146.0751      -157.6 
1 1 1 16 11 56 o 1.929000       1.438000      41.53539      -6.8   
1 1 1 16 11 57 o -0.3598000     1.672000      ?             ?      
1 1 1 16 11 58 o 0.3632000      1.509000      ?             ?      
1 1 1 16 11 59 o 1.322000       1.336000      ?             ?      
1 1 1 16 11 60 o 0.1653000      1.332000      ?             ?      
1 1 1 16 11 61 o 2.790000       1.345000      ?             ?      
1 1 1 16 11 62 o 3.106000       1.334000      ?             ?      
1 1 1 16 11 63 o 0.7597000      1.321000      ?             ?      
1 1 1 16 11 64 o 0.1776000      1.303000      ?             ?      
1 1 1 16 11 65 o 1.494000       1.435000      ?             ?      
1 1 1 16 11 66 o -2.568000      1.522000      ?             ?      
1 1 1 16 11 67 o -1.057000      2.121000      ?             ?      
1 1 1 16 11 68 o 0.2855000E-02  1.690000      ?             ?      
1 1 1 16 11 69 o 0.4874000      1.348000      ?             ?      
1 1 1 16 11 70 o 4.509000       1.536000      ?             ?      
1 1 1 16 11 71 o 0.4650000      1.684000      ?             ?      
1 1 1 16 11 72 o -0.3353000     1.574000      ?             ?      
1 1 1 16 11 73 o 3.846000       1.827000      ?             ?      
1 1 1 16 12 0  o -0.8211000     0.6097000     36.51496      -0.0   
1 1 1 16 12 1  o 1.458000       0.4429000     271.6603      73.5   
1 1 1 16 12 2  o 0.6160000      0.4408000     67.35268      40.0   
1 1 1 16 12 3  o -0.7444000     0.4559000     112.9637      -15.9  
1 1 1 16 12 4  o -0.2189000     0.7313000     391.6852      45.0   
1 1 1 16 12 5  o 1.504000       0.5691000     373.3633      -115.8 
1 1 1 16 12 6  o 5.181000       0.6111000     281.4341      -110.2 
1 1 1 16 12 7  o 7.081000       0.8007000     361.7729      -49.1  
1 1 1 16 12 8  o 1.871000       0.6113000     249.1576      -68.5  
1 1 1 16 12 9  o -1.138000      0.6316000     189.1662      -118.8 
1 1 1 16 12 10 o 3.776000       0.6260000     439.3934      124.9  
1 1 1 16 12 11 o 0.5134000      0.7047000     139.7174      -79.8  
1 1 1 16 12 12 o -1.524000      0.7416000     186.7402      -160.0 
1 1 1 16 12 13 o 1.176000       0.6559000     160.4301      108.7  
1 1 1 16 12 14 o 3.669000       0.7725000     260.3897      94.5   
1 1 1 16 12 15 o 1.934000       0.7636000     403.8682      -154.2 
1 1 1 16 12 16 o 0.8883000      0.7436000     85.60585      5.9    
1 1 1 16 12 17 o 5.333000       0.9152000     725.5583      -16.3  
1 1 1 16 12 18 o 2.052000       0.8995000     194.9153      119.0  
1 1 1 16 12 19 o 0.5787000      0.9254000     243.5514      -21.1  
1 1 1 16 12 20 o 0.2563000      1.066000      345.6359      25.4   
1 1 1 16 12 21 o -1.796000      1.176000      163.5012      -5.7   
1 1 1 16 12 22 o 4.834000       1.050000      455.0861      94.5   
1 1 1 16 12 23 o 6.025000       1.068000      246.4041      -24.4  
1 1 1 16 12 24 o 10.39000       1.130000      602.9371      -62.7  
1 1 1 16 12 25 o 9.910000       1.066000      247.1408      -153.3 
1 1 1 16 12 26 o 1.998000       0.9817000     302.2243      179.7  
1 1 1 16 12 27 o 1.300000       0.9833000     197.9433      -16.1  
1 1 1 16 12 28 o 1.467000       1.000000      211.7776      96.4   
1 1 1 16 12 29 o 4.383000       1.094000      114.1022      13.9   
1 1 1 16 12 30 o -1.716000      1.164000      51.23890      -146.3 
1 1 1 16 12 31 o 0.7009000      1.103000      212.7401      93.6   
1 1 1 16 12 32 o 3.025000       1.353000      87.43824      138.6  
1 1 1 16 12 33 o -0.4071000     1.238000      71.50996      3.9    
1 1 1 16 12 34 o 2.631000       1.136000      190.0113      152.7  
1 1 1 16 12 35 o 0.1522000      1.006000      117.8475      74.3   
1 1 1 16 12 36 o -0.5696000     0.9837000     10.60196      -145.3 
1 1 1 16 12 37 o 7.343000       1.053000      330.8337      143.5  
1 1 1 16 12 38 o 1.160000       1.036000      75.95824      178.2  
1 1 1 16 12 39 o 2.927000       1.078000      236.1436      -10.7  
1 1 1 16 12 40 o 1.117000       1.215000      72.94674      139.7  
1 1 1 16 12 41 o 1.896000       1.177000      50.78921      3.5    
1 1 1 16 12 42 o 0.7498000      1.057000      72.46485      163.9  
1 1 1 16 12 43 o 0.2936000      1.070000      60.21632      -18.9  
1 1 1 16 12 44 o 4.324000       1.106000      275.5015      -88.2  
1 1 1 16 12 45 o 2.532000       1.131000      215.2382      -82.7  
1 1 1 16 12 46 o 1.947000       1.148000      32.56310      -57.8  
1 1 1 16 12 47 o -0.1187000     1.164000      151.5655      153.3  
1 1 1 16 12 48 o 3.363000       1.196000      194.3724      -85.5  
1 1 1 16 12 49 o 3.105000       1.251000      199.3799      142.2  
1 1 1 16 12 50 o 0.7671000E-01  1.404000      185.5387      -125.4 
1 1 1 16 12 51 o 2.698000       1.428000      188.3372      -13.8  
1 1 1 16 12 52 o 1.235000       1.488000      170.4001      32.0   
1 1 1 16 12 53 o 0.2080000      1.442000      119.9873      15.0   
1 1 1 16 12 54 o 7.592000       1.399000      352.5374      -22.3  
1 1 1 16 12 55 o 3.229000       1.372000      225.9632      40.6   
1 1 1 16 12 56 o -0.3935000E-01 1.497000      131.7544      72.5   
1 1 1 16 12 57 o 2.235000       1.652000      ?             ?      
1 1 1 16 12 58 o 0.6899000      1.419000      ?             ?      
1 1 1 16 12 59 o -0.3317000E-01 1.320000      ?             ?      
1 1 1 16 12 60 o 2.262000       1.326000      ?             ?      
1 1 1 16 12 61 o 5.107000       1.370000      ?             ?      
1 1 1 16 12 62 o 0.4207000      1.305000      ?             ?      
1 1 1 16 12 63 o 2.286000       1.340000      ?             ?      
1 1 1 16 12 64 o 0.8366000      1.311000      ?             ?      
1 1 1 16 12 65 o 1.432000       1.317000      ?             ?      
1 1 1 16 12 66 o -0.5289000     1.433000      ?             ?      
1 1 1 16 12 67 o 3.262000       1.677000      ?             ?      
1 1 1 16 12 68 o 1.920000       1.453000      ?             ?      
1 1 1 16 12 69 o 0.7933000      1.459000      ?             ?      
1 1 1 16 12 70 o 0.3618000      1.686000      ?             ?      
1 1 1 16 12 71 o 0.2604000      1.709000      ?             ?      
1 1 1 16 12 72 o -1.474000      2.211000      ?             ?      
1 1 1 16 13 0  o 5.250000       0.9197000     554.1348      180.0  
1 1 1 16 13 1  o 1.367000       0.4606000     522.8603      66.0   
1 1 1 16 13 2  o 1.532000       0.4629000     249.7001      121.3  
1 1 1 16 13 3  o -0.9111000     0.4677000     53.03833      -104.3 
1 1 1 16 13 4  o 0.3173000      0.5219000     152.3678      -97.3  
1 1 1 16 13 5  o 8.681000       0.6100000     282.7151      59.6   
1 1 1 16 13 6  o 16.14000       0.7966000     773.2747      51.2   
1 1 1 16 13 7  o 4.835000       0.6500000     555.3035      177.5  
1 1 1 16 13 8  o 1.880000       0.6631000     131.1765      107.6  
1 1 1 16 13 9  o 10.00000       0.7029000     530.3952      -52.5  
1 1 1 16 13 10 o -0.2791000     0.6791000     290.0280      16.3   
1 1 1 16 13 11 o 3.357000       0.6553000     148.0110      35.4   
1 1 1 16 13 12 o 6.262000       0.7776000     536.9969      109.8  
1 1 1 16 13 13 o 17.39000       0.8847000     798.5478      -178.3 
1 1 1 16 13 14 o 13.36000       0.8035000     497.4143      -83.6  
1 1 1 16 13 15 o 11.19000       0.8357000     456.6520      -122.8 
1 1 1 16 13 16 o 0.6055000      0.8015000     181.1950      39.0   
1 1 1 16 13 17 o 5.427000       0.8183000     268.7300      99.2   
1 1 1 16 13 18 o 9.433000       1.002000      498.3391      96.0   
1 1 1 16 13 19 o 1.910000       1.015000      205.7132      166.8  
1 1 1 16 13 20 o 5.062000       1.104000      338.3480      -10.6  
1 1 1 16 13 21 o 6.591000       1.100000      590.9261      138.1  
1 1 1 16 13 22 o 23.60000       1.196000      748.4969      50.8   
1 1 1 16 13 23 o 5.552000       1.060000      340.2521      4.3    
1 1 1 16 13 24 o 4.869000       1.041000      339.8825      81.5   
1 1 1 16 13 25 o 2.476000       0.9772000     289.2032      -45.8  
1 1 1 16 13 26 o 19.13000       1.120000      705.4860      -99.6  
1 1 1 16 13 27 o 4.083000       0.9938000     332.2238      136.7  
1 1 1 16 13 28 o 9.717000       1.049000      424.1290      136.4  
1 1 1 16 13 29 o 2.753000       1.101000      188.5724      -16.9  
1 1 1 16 13 30 o 9.011000       1.126000      496.0934      -94.2  
1 1 1 16 13 31 o 10.52000       1.241000      376.3605      155.3  
1 1 1 16 13 32 o 0.7983000      1.093000      149.3965      53.7   
1 1 1 16 13 33 o 8.843000       1.191000      456.5476      -131.6 
1 1 1 16 13 34 o 3.234000       1.251000      206.2123      80.8   
1 1 1 16 13 35 o 0.3446000      1.103000      44.02721      169.1  
1 1 1 16 13 36 o 1.292000       1.000000      202.7211      -125.9 
1 1 1 16 13 37 o 6.832000       1.072000      305.4409      38.7   
1 1 1 16 13 38 o 16.13000       1.297000      464.8398      84.0   
1 1 1 16 13 39 o -0.1309000E-01 1.122000      91.79973      -66.0  
1 1 1 16 13 40 o 0.4822000      1.304000      151.4877      70.9   
1 1 1 16 13 41 o 14.39000       1.310000      568.1047      126.9  
1 1 1 16 13 42 o 1.717000       1.067000      110.4418      -74.6  
1 1 1 16 13 43 o 1.378000       1.080000      163.3804      -94.5  
1 1 1 16 13 44 o -1.506000      1.076000      35.36678      128.5  
1 1 1 16 13 45 o 3.134000       1.127000      125.8117      -106.4 
1 1 1 16 13 46 o 2.251000       1.141000      122.0854      -157.3 
1 1 1 16 13 47 o 0.1043000E-01  1.162000      41.64002      142.2  
1 1 1 16 13 48 o 2.981000       1.194000      201.3313      -58.5  
1 1 1 16 13 49 o 2.377000       1.213000      102.6228      55.2   
1 1 1 16 13 50 o 9.691000       1.462000      438.0495      112.1  
1 1 1 16 13 51 o 3.621000       1.541000      144.6211      82.4   
1 1 1 16 13 52 o 1.577000       1.733000      209.3013      175.0  
1 1 1 16 13 53 o 3.942000       1.619000      243.0535      87.2   
1 1 1 16 13 54 o 1.480000       1.453000      179.0613      158.6  
1 1 1 16 13 55 o 2.271000       1.434000      126.4485      -48.8  
1 1 1 16 13 56 o 1.656000       1.624000      70.01529      -94.6  
1 1 1 16 13 57 o 4.072000       1.518000      ?             ?      
1 1 1 16 13 58 o 2.384000       1.333000      ?             ?      
1 1 1 16 13 59 o 0.7679000      1.303000      ?             ?      
1 1 1 16 13 60 o 3.117000       1.420000      ?             ?      
1 1 1 16 13 61 o 1.774000       1.293000      ?             ?      
1 1 1 16 13 62 o -0.5658000     1.287000      ?             ?      
1 1 1 16 13 63 o 3.045000       1.319000      ?             ?      
1 1 1 16 13 64 o 2.168000       1.303000      ?             ?      
1 1 1 16 13 65 o 0.7521000      1.298000      ?             ?      
1 1 1 16 13 66 o 1.736000       1.444000      ?             ?      
1 1 1 16 13 67 o -0.1521000     1.555000      ?             ?      
1 1 1 16 13 68 o -1.483000      1.629000      ?             ?      
1 1 1 16 13 69 o 4.492000       1.595000      ?             ?      
1 1 1 16 13 70 o 1.015000       1.558000      ?             ?      
1 1 1 16 13 71 o -0.1343000E-01 1.564000      ?             ?      
1 1 1 16 13 72 o 2.577000       1.478000      ?             ?      
1 1 1 16 14 0  o 8.383000       0.7727000     829.6396      -180.0 
1 1 1 16 14 1  o 9.821000       0.5918000     719.2213      -74.2  
1 1 1 16 14 2  o 12.45000       0.6597000     716.9573      122.3  
1 1 1 16 14 3  o 2.292000       0.5065000     147.6100      85.7   
1 1 1 16 14 4  o 21.37000       0.8620000     792.5490      166.9  
1 1 1 16 14 5  o 33.08000       1.027000      904.5337      -115.1 
1 1 1 16 14 6  o 4.056000       0.7139000     268.4067      165.8  
1 1 1 16 14 7  o 15.37000       0.8697000     859.1818      -163.2 
1 1 1 16 14 8  o -0.7323000     0.6426000     218.4529      108.9  
1 1 1 16 14 9  o 1.929000       0.7221000     565.8245      122.0  
1 1 1 16 14 10 o 2.148000       0.7473000     389.9398      -175.2 
1 1 1 16 14 11 o 44.76000       1.232000      1094.339      -122.4 
1 1 1 16 14 12 o 5.618000       0.7629000     383.8083      -152.2 
1 1 1 16 14 13 o 10.27000       0.8114000     543.4836      61.7   
1 1 1 16 14 14 o 0.9886000      0.7394000     99.47964      -57.2  
1 1 1 16 14 15 o 3.361000       0.8296000     199.9462      163.9  
1 1 1 16 14 16 o 18.47000       1.028000      760.3524      52.4   
1 1 1 16 14 17 o 41.77000       1.396000      1054.743      52.5   
1 1 1 16 14 18 o 11.39000       1.032000      632.2341      136.3  
1 1 1 16 14 19 o 1.549000       0.9994000     340.7648      -71.0  
1 1 1 16 14 20 o 3.772000       1.069000      403.7684      -83.6  
1 1 1 16 14 21 o 30.53000       1.314000      941.5477      138.1  
1 1 1 16 14 22 o 20.02000       1.157000      737.4988      52.5   
1 1 1 16 14 23 o 26.69000       1.221000      754.9571      -47.8  
1 1 1 16 14 24 o 8.995000       1.013000      463.7052      -69.5  
1 1 1 16 14 25 o 8.528000       0.9888000     397.2819      -116.4 
1 1 1 16 14 26 o 9.315000       1.007000      476.3534      72.1   
1 1 1 16 14 27 o 6.988000       1.016000      275.3822      147.0  
1 1 1 16 14 28 o 11.31000       1.044000      596.5971      82.6   
1 1 1 16 14 29 o 3.557000       0.9834000     495.8198      -18.9  
1 1 1 16 14 30 o 1.315000       1.073000      119.4525      -178.4 
1 1 1 16 14 31 o 9.116000       1.196000      167.2044      38.1   
1 1 1 16 14 32 o 5.041000       1.095000      435.4679      -5.8   
1 1 1 16 14 33 o 11.51000       1.217000      370.3561      39.1   
1 1 1 16 14 34 o 12.05000       1.732000      601.4860      -142.8 
1 1 1 16 14 35 o 14.53000       1.215000      585.3785      76.9   
1 1 1 16 14 36 o 9.798000       1.087000      589.4781      102.8  
1 1 1 16 14 37 o 46.07000       1.553000      1026.125      160.8  
1 1 1 16 14 38 o 1.450000       1.124000      74.18118      7.6    
1 1 1 16 14 39 o 13.04000       1.266000      643.8016      -157.5 
1 1 1 16 14 40 o 25.23000       1.445000      661.5826      -161.2 
1 1 1 16 14 41 o 6.884000       1.105000      321.4223      165.8  
1 1 1 16 14 42 o 18.27000       1.217000      524.7704      -138.7 
1 1 1 16 14 43 o 3.887000       1.096000      131.0909      87.2   
1 1 1 16 14 44 o 7.497000       1.139000      388.3595      -3.2   
1 1 1 16 14 45 o -0.5567000     1.121000      169.6560      -138.5 
1 1 1 16 14 46 o 7.393000       1.183000      377.7554      143.1  
1 1 1 16 14 47 o 2.496000       1.182000      164.2556      35.7   
1 1 1 16 14 48 o 1.456000       1.201000      248.4557      -171.2 
1 1 1 16 14 49 o 2.180000       1.233000      179.6061      -81.6  
1 1 1 16 14 50 o 2.056000       1.409000      166.0286      -48.0  
1 1 1 16 14 51 o 2.244000       1.535000      165.6460      -107.7 
1 1 1 16 14 52 o 1.481000       1.434000      252.0190      119.1  
1 1 1 16 14 53 o 2.385000       1.516000      184.0953      -22.3  
1 1 1 16 14 54 o 1.741000       1.470000      233.3739      72.0   
1 1 1 16 14 55 o 1.608000       1.519000      158.8424      -92.0  
1 1 1 16 14 56 o 5.004000       1.668000      ?             ?      
1 1 1 16 14 57 o 2.373000       1.414000      ?             ?      
1 1 1 16 14 58 o 3.259000       1.328000      ?             ?      
1 1 1 16 14 59 o 1.676000       1.316000      ?             ?      
1 1 1 16 14 60 o 2.073000       1.292000      ?             ?      
1 1 1 16 14 61 o 1.954000       1.266000      ?             ?      
1 1 1 16 14 62 o -1.881000      1.256000      ?             ?      
1 1 1 16 14 63 o 2.643000       1.296000      ?             ?      
1 1 1 16 14 64 o 2.414000       1.293000      ?             ?      
1 1 1 16 14 65 o 0.6708000E-01  1.274000      ?             ?      
1 1 1 16 14 66 o 1.361000       1.333000      ?             ?      
1 1 1 16 14 67 o 0.2586000      1.450000      ?             ?      
1 1 1 16 14 68 o 3.476000       1.702000      ?             ?      
1 1 1 16 14 69 o 0.3728000      1.906000      ?             ?      
1 1 1 16 14 70 o -0.5390000     2.028000      ?             ?      
1 1 1 16 14 71 o 2.337000       1.789000      ?             ?      
1 1 1 16 14 72 o -2.424000      1.947000      ?             ?      
1 1 1 16 15 0  o 48.30000       1.887000      1150.774      -0.0   
1 1 1 16 15 1  o 24.94000       0.7562000     737.0938      -67.8  
1 1 1 16 15 2  o 51.76000       1.588000      1173.620      -125.2 
1 1 1 16 15 3  o 59.24000       1.313000      1316.836      -133.6 
1 1 1 16 15 4  o 120.5000       2.950000      1519.325      -59.4  
1 1 1 16 15 5  o 140.4000       3.430000      1845.563      -120.3 
1 1 1 16 15 6  o 60.41000       1.767000      1466.895      144.0  
1 1 1 16 15 7  o 3.733000       0.7652000     257.3132      -66.9  
1 1 1 16 15 8  o 6.550000       0.7774000     423.6831      -34.8  
1 1 1 16 15 9  o 5.050000       0.7512000     460.8828      -35.9  
1 1 1 16 15 10 o 44.75000       1.312000      996.7950      68.4   
1 1 1 16 15 11 o 3.722000       0.8170000     537.9089      -34.6  
1 1 1 16 15 12 o 42.12000       1.192000      1097.165      -96.1  
1 1 1 16 15 13 o 8.795000       0.8676000     598.1623      168.0  
1 1 1 16 15 14 o 15.72000       0.9294000     358.2773      134.8  
1 1 1 16 15 15 o 39.66000       1.211000      1325.580      -163.4 
1 1 1 16 15 16 o 21.20000       1.014000      790.5829      127.8  
1 1 1 16 15 17 o 50.38000       1.543000      891.3134      -169.8 
1 1 1 16 15 18 o 46.33000       1.876000      1123.161      -93.8  
1 1 1 16 15 19 o 21.88000       1.231000      593.4743      -47.1  
1 1 1 16 15 20 o 4.809000       1.047000      233.0826      74.9   
1 1 1 16 15 21 o 62.72000       1.923000      981.1029      179.6  
1 1 1 16 15 22 o 7.806000       1.065000      526.6797      53.6   
1 1 1 16 15 23 o 4.819000       0.9900000     110.0679      -2.6   
1 1 1 16 15 24 o 18.56000       1.190000      456.7050      -27.6  
1 1 1 16 15 25 o 48.69000       1.622000      1164.332      -84.2  
1 1 1 16 15 26 o 30.45000       1.226000      795.9220      -76.8  
1 1 1 16 15 27 o 49.13000       1.504000      1207.612      151.7  
1 1 1 16 15 28 o 10.44000       1.027000      540.5480      10.8   
1 1 1 16 15 29 o 3.730000       0.9871000     190.7397      -102.5 
1 1 1 16 15 30 o 15.84000       1.193000      495.9450      -106.2 
1 1 1 16 15 31 o 15.40000       1.175000      792.0372      116.1  
1 1 1 16 15 32 o 4.258000       1.174000      401.4460      47.1   
1 1 1 16 15 33 o 9.633000       1.135000      453.9076      -98.6  
1 1 1 16 15 34 o 0.1687000      1.124000      233.1440      121.4  
1 1 1 16 15 35 o 5.236000       1.266000      169.1635      -91.4  
1 1 1 16 15 36 o 13.95000       1.242000      327.4532      105.8  
1 1 1 16 15 37 o 9.564000       1.086000      319.2496      18.7   
1 1 1 16 15 38 o 5.608000       1.148000      558.2544      -42.5  
1 1 1 16 15 39 o 2.030000       1.314000      204.1155      -167.7 
1 1 1 16 15 40 o 1.852000       1.415000      330.6714      -62.2  
1 1 1 16 15 41 o 4.158000       1.081000      189.6550      -109.3 
1 1 1 16 15 42 o 0.3195000      1.071000      203.1128      -91.9  
1 1 1 16 15 43 o 9.031000       1.138000      478.3876      -109.8 
1 1 1 16 15 44 o 6.101000       1.138000      269.5619      -115.8 
1 1 1 16 15 45 o 3.089000       1.142000      190.6010      -168.6 
1 1 1 16 15 46 o 7.794000       1.193000      311.1500      -105.1 
1 1 1 16 15 47 o 9.523000       1.235000      479.4586      -14.4  
1 1 1 16 15 48 o 19.72000       1.353000      510.3175      48.4   
1 1 1 16 15 49 o 1.077000       1.347000      225.8040      139.4  
1 1 1 16 15 50 o 2.313000       1.270000      228.5090      91.8   
1 1 1 16 15 51 o 1.504000       1.454000      161.0238      -0.7   
1 1 1 16 15 52 o 2.404000       1.461000      193.7265      -168.9 
1 1 1 16 15 53 o 7.304000       1.816000      338.4246      51.4   
1 1 1 16 15 54 o 2.928000       1.757000      226.4781      -28.3  
1 1 1 16 15 55 o 5.149000       1.732000      307.4286      -74.7  
1 1 1 16 15 56 o -0.2504000     1.488000      ?             ?      
1 1 1 16 15 57 o 2.649000       1.316000      ?             ?      
1 1 1 16 15 58 o 4.303000       1.320000      ?             ?      
1 1 1 16 15 59 o 2.328000       1.296000      ?             ?      
1 1 1 16 15 60 o 5.921000       1.299000      ?             ?      
1 1 1 16 15 61 o -2.256000      1.239000      ?             ?      
1 1 1 16 15 62 o 1.385000       1.257000      ?             ?      
1 1 1 16 15 63 o 2.351000       1.277000      ?             ?      
1 1 1 16 15 64 o 4.245000       1.310000      ?             ?      
1 1 1 16 15 65 o 4.042000       1.302000      ?             ?      
1 1 1 16 15 66 o 1.532000       1.319000      ?             ?      
1 1 1 16 15 67 o 0.5655000      1.434000      ?             ?      
1 1 1 16 15 68 o 1.700000       1.462000      ?             ?      
1 1 1 16 15 69 o 1.102000       2.207000      ?             ?      
1 1 1 16 15 70 o -3.534000      1.725000      ?             ?      
1 1 1 16 15 71 o -1.013000      1.354000      ?             ?      
1 1 1 16 15 72 o -0.9092000     1.589000      ?             ?      
1 1 1 16 16 0  o 6.593000       1.193000      877.6346      180.0  
1 1 1 16 16 1  o 67.07000       1.498000      1616.255      -17.9  
1 1 1 16 16 2  o 27.02000       0.8053000     702.0703      -39.4  
1 1 1 16 16 3  o 29.34000       0.9756000     1001.574      10.2   
1 1 1 16 16 4  o 43.92000       1.592000      1062.040      -6.5   
1 1 1 16 16 5  o 6.136000       0.7235000     446.3517      10.2   
1 1 1 16 16 6  o 85.11000       2.242000      1413.105      -145.5 
1 1 1 16 16 7  o 154.4000       3.260000      2024.856      -149.0 
1 1 1 16 16 8  o 20.26000       1.016000      560.9191      59.6   
1 1 1 16 16 9  o 14.16000       0.8544000     782.3787      -166.7 
1 1 1 16 16 10 o 51.43000       1.672000      1204.230      -32.3  
1 1 1 16 16 11 o 28.05000       1.193000      700.7914      -152.7 
1 1 1 16 16 12 o 43.90000       1.636000      681.7736      133.8  
1 1 1 16 16 13 o 2.403000       0.8804000     227.6980      -63.4  
1 1 1 16 16 14 o 42.36000       1.261000      753.8683      -169.1 
1 1 1 16 16 15 o 97.02000       2.143000      1160.714      112.3  
1 1 1 16 16 16 o 336.6000       8.191000      2389.699      -59.0  
1 1 1 16 16 17 o 45.80000       1.892000      789.0435      -20.1  
1 1 1 16 16 18 o 16.78000       1.181000      645.0107      -113.1 
1 1 1 16 16 19 o 41.97000       1.572000      876.3619      -43.8  
1 1 1 16 16 20 o 6.038000       1.044000      417.5075      101.9  
1 1 1 16 16 21 o 12.59000       1.043000      610.3534      -149.8 
1 1 1 16 16 22 o 94.31000       2.279000      1586.442      -19.2  
1 1 1 16 16 23 o 4.161000       0.9989000     438.3744      -37.4  
1 1 1 16 16 24 o 65.17000       1.762000      1090.089      31.6   
1 1 1 16 16 25 o 23.00000       1.293000      524.0248      -59.2  
1 1 1 16 16 26 o 29.13000       1.215000      814.7399      163.9  
1 1 1 16 16 27 o 7.625000       1.004000      269.2806      -122.4 
1 1 1 16 16 28 o 69.32000       1.841000      1137.468      0.7    
1 1 1 16 16 29 o 31.04000       1.246000      818.5820      -6.5   
1 1 1 16 16 30 o 25.44000       1.189000      655.2296      159.1  
1 1 1 16 16 31 o 8.404000       1.099000      351.5435      33.0   
1 1 1 16 16 32 o 3.110000       1.146000      83.87275      110.4  
1 1 1 16 16 33 o 20.18000       1.225000      674.9271      -35.0  
1 1 1 16 16 34 o -0.4268000     1.112000      238.8452      148.7  
1 1 1 16 16 35 o 23.11000       1.468000      587.2875      127.6  
1 1 1 16 16 36 o 45.69000       1.684000      893.2490      116.4  
1 1 1 16 16 37 o 12.44000       1.343000      351.5969      156.4  
1 1 1 16 16 38 o 2.380000       1.161000      413.8921      -73.8  
1 1 1 16 16 39 o 29.94000       1.525000      710.2252      170.1  
1 1 1 16 16 40 o 21.71000       1.249000      552.2728      -170.1 
1 1 1 16 16 41 o 2.063000       1.067000      240.5505      -13.9  
1 1 1 16 16 42 o 2.756000       1.080000      318.3442      -40.1  
1 1 1 16 16 43 o 16.77000       1.223000      594.8643      -100.2 
1 1 1 16 16 44 o 20.87000       1.288000      535.5372      -25.3  
1 1 1 16 16 45 o 10.29000       1.212000      530.2241      -179.8 
1 1 1 16 16 46 o 31.41000       1.464000      950.7286      135.3  
1 1 1 16 16 47 o 16.84000       1.312000      548.0883      -10.6  
1 1 1 16 16 48 o 3.177000       1.223000      47.40113      -95.1  
1 1 1 16 16 49 o 2.275000       1.233000      161.6449      -159.1 
1 1 1 16 16 50 o 1.975000       1.285000      291.8422      37.1   
1 1 1 16 16 51 o 11.97000       1.556000      481.4676      -131.5 
1 1 1 16 16 52 o 8.233000       1.620000      429.4411      112.5  
1 1 1 16 16 53 o 4.315000       1.494000      297.5803      -7.9   
1 1 1 16 16 54 o 4.978000       1.747000      329.2690      95.4   
1 1 1 16 16 55 o 2.929000       2.055000      238.9417      -96.4  
1 1 1 16 16 56 o 7.656000       1.506000      ?             ?      
1 1 1 16 16 57 o 4.355000       1.302000      ?             ?      
1 1 1 16 16 58 o 4.062000       1.304000      ?             ?      
1 1 1 16 16 59 o 8.154000       1.333000      ?             ?      
1 1 1 16 16 60 o 0.4109000      1.249000      ?             ?      
1 1 1 16 16 61 o 6.003000       1.271000      ?             ?      
1 1 1 16 16 62 o 0.2083000      1.250000      ?             ?      
1 1 1 16 16 63 o 5.801000       1.285000      ?             ?      
1 1 1 16 16 64 o 0.3151000E-01  1.262000      ?             ?      
1 1 1 16 16 65 f 4.740000       1.314000      ?             ?      
1 1 1 16 16 66 o 1.568000       1.284000      ?             ?      
1 1 1 16 16 67 o -0.4186000     1.427000      ?             ?      
1 1 1 16 16 68 o 1.818000       1.884000      ?             ?      
1 1 1 16 16 69 o 0.3443000      2.341000      ?             ?      
1 1 1 16 16 70 o 2.177000       1.875000      ?             ?      
1 1 1 16 16 71 o 1.668000       1.471000      ?             ?      
1 1 1 16 17 0  o 233.7000       6.719000      2263.059      -0.0   
1 1 1 16 17 1  o 93.56000       2.188000      1308.178      -164.0 
1 1 1 16 17 2  o 12.52000       0.8058000     422.6689      136.7  
1 1 1 16 17 3  o 18.58000       0.7803000     911.9898      77.2   
1 1 1 16 17 4  o 34.75000       1.217000      537.7332      -138.0 
1 1 1 16 17 5  o 60.88000       1.651000      1379.852      164.2  
1 1 1 16 17 6  o -0.4948000E-01 0.7560000     138.5282      90.5   
1 1 1 16 17 7  o 76.58000       1.951000      1142.763      -54.2  
1 1 1 16 17 8  o 2.943000       0.8797000     465.7039      82.9   
1 1 1 16 17 9  o 68.38000       1.603000      1354.477      51.1   
1 1 1 16 17 10 o 43.07000       1.264000      968.5770      -165.8 
1 1 1 16 17 11 o 66.83000       2.030000      946.1595      14.2   
1 1 1 16 17 12 o 180.0000       3.853000      1686.506      -14.1  
1 1 1 16 17 13 o 24.76000       1.049000      698.8593      81.9   
1 1 1 16 17 14 o 1.127000       0.9040000     257.0356      113.6  
1 1 1 16 17 15 o 200.8000       3.974000      1646.368      44.6   
1 1 1 16 17 16 o 49.65000       1.762000      1167.283      50.8   
1 1 1 16 17 17 o 6.855000       1.127000      556.7443      -64.2  
1 1 1 16 17 18 o 22.94000       1.295000      673.7658      -107.6 
1 1 1 16 17 19 o 6.341000       1.039000      314.4932      166.1  
1 1 1 16 17 20 o 17.42000       1.160000      578.3246      -43.7  
1 1 1 16 17 21 o 10.35000       1.017000      542.2571      -49.9  
1 1 1 16 17 22 o 86.52000       2.383000      1523.659      83.7   
1 1 1 16 17 23 o 15.83000       1.246000      615.2348      -178.5 
1 1 1 16 17 24 o 71.63000       1.862000      1422.429      -65.8  
1 1 1 16 17 25 o 86.44000       2.105000      1479.048      -122.8 
1 1 1 16 17 26 o 17.13000       1.060000      597.6619      42.8   
1 1 1 16 17 27 o 34.13000       1.275000      959.5508      85.1   
1 1 1 16 17 28 o 61.87000       1.708000      1133.049      -2.4   
1 1 1 16 17 29 o 29.30000       1.207000      762.4023      -167.3 
1 1 1 16 17 30 o 12.94000       1.038000      387.3810      156.5  
1 1 1 16 17 31 o 5.712000       1.079000      250.6932      61.9   
1 1 1 16 17 32 o 12.64000       1.223000      600.6046      55.6   
1 1 1 16 17 33 o 1.843000       1.050000      230.5988      163.9  
1 1 1 16 17 34 o 11.57000       1.131000      424.8112      -85.2  
1 1 1 16 17 35 o 5.387000       1.175000      281.8961      50.9   
1 1 1 16 17 36 o 2.437000       1.261000      89.33530      -158.0 
1 1 1 16 17 37 o 19.06000       1.461000      515.8776      -115.4 
1 1 1 16 17 38 o 26.72000       1.642000      511.9904      -108.6 
1 1 1 16 17 39 o 25.37000       1.455000      679.7582      160.4  
1 1 1 16 17 40 o 18.46000       1.210000      594.6221      -40.2  
1 1 1 16 17 41 o 3.296000       1.085000      86.18468      -133.5 
1 1 1 16 17 42 o 3.881000       1.098000      394.9927      -50.3  
1 1 1 16 17 43 o 4.193000       1.124000      280.2080      161.7  
1 1 1 16 17 44 o 5.144000       1.145000      359.2198      -10.6  
1 1 1 16 17 45 o 14.37000       1.239000      499.7498      -153.8 
1 1 1 16 17 46 o 9.563000       1.224000      507.6494      -4.9   
1 1 1 16 17 47 o 2.152000       1.213000      150.4705      -38.8  
1 1 1 16 17 48 o 0.3669000      1.210000      174.7123      124.9  
1 1 1 16 17 49 o 4.808000       1.277000      342.2089      163.1  
1 1 1 16 17 50 o 10.84000       1.348000      512.4915      -18.1  
1 1 1 16 17 51 f 6.603000       1.354000      514.4504      141.8  
1 1 1 16 17 52 o 5.289000       1.495000      299.6842      -165.8 
1 1 1 16 17 53 o 3.477000       1.472000      226.9860      64.5   
1 1 1 16 17 54 o 2.436000       1.751000      302.0355      32.8   
1 1 1 16 17 55 o 1.331000       1.907000      ?             ?      
1 1 1 16 17 56 o 0.9782000      1.412000      ?             ?      
1 1 1 16 17 57 o 3.436000       1.294000      ?             ?      
1 1 1 16 17 58 o 7.532000       1.320000      ?             ?      
1 1 1 16 17 59 o 5.454000       1.304000      ?             ?      
1 1 1 16 17 60 o 1.674000       1.252000      ?             ?      
1 1 1 16 17 61 o 3.340000       1.255000      ?             ?      
1 1 1 16 17 62 o 4.461000       1.269000      ?             ?      
1 1 1 16 17 63 o 0.3169000      1.255000      ?             ?      
1 1 1 16 17 64 o 6.946000       1.300000      ?             ?      
1 1 1 16 17 65 o 1.822000       1.283000      ?             ?      
1 1 1 16 17 66 o -0.1613000E-01 1.281000      ?             ?      
1 1 1 16 17 67 o 3.639000       1.312000      ?             ?      
1 1 1 16 17 68 o 3.878000       1.724000      ?             ?      
1 1 1 16 17 69 o 3.288000       1.714000      ?             ?      
1 1 1 16 17 70 o -0.6882000     1.834000      ?             ?      
1 1 1 16 17 71 o 1.042000       1.451000      ?             ?      
1 1 1 16 18 0  o 28.22000       1.731000      821.5750      180.0  
1 1 1 16 18 1  o 40.64000       1.264000      831.7298      -1.8   
1 1 1 16 18 2  o 172.8000       4.183000      1832.685      177.7  
1 1 1 16 18 3  o 42.80000       1.124000      1149.100      67.7   
1 1 1 16 18 4  o 35.40000       1.176000      654.8853      -105.3 
1 1 1 16 18 5  o 109.4000       3.095000      1550.404      160.0  
1 1 1 16 18 6  o 196.9000       4.429000      1982.621      -98.3  
1 1 1 16 18 7  o 102.1000       2.218000      1540.297      -118.8 
1 1 1 16 18 8  o 37.51000       1.188000      1046.729      73.1   
1 1 1 16 18 9  o 4.512000       0.8850000     313.2691      -92.3  
1 1 1 16 18 10 o 152.5000       3.973000      1620.570      -173.4 
1 1 1 16 18 11 o 235.7000       4.484000      1948.706      114.0  
1 1 1 16 18 12 o 14.98000       1.317000      235.0718      -113.4 
1 1 1 16 18 13 o 184.5000       4.063000      1937.246      147.3  
1 1 1 16 18 14 o 247.7000       4.817000      1868.343      122.9  
1 1 1 16 18 15 o 24.06000       1.369000      655.8725      -70.4  
1 1 1 16 18 16 o 68.46000       2.591000      1394.138      -104.5 
1 1 1 16 18 17 o 46.05000       1.703000      625.8136      63.1   
1 1 1 16 18 18 o 0.8771000      1.138000      216.6460      33.7   
1 1 1 16 18 19 o 30.71000       1.332000      678.6201      76.6   
1 1 1 16 18 20 o 29.59000       1.379000      1024.037      -5.8   
1 1 1 16 18 21 o 71.00000       1.835000      1037.121      -132.5 
1 1 1 16 18 22 o 116.5000       2.576000      1423.143      -2.5   
1 1 1 16 18 23 o 0.6909000      0.9367000     242.0276      -36.2  
1 1 1 16 18 24 o 80.22000       1.997000      1336.459      17.2   
1 1 1 16 18 25 o 1.831000       0.9692000     184.0153      99.0   
1 1 1 16 18 26 o 52.19000       1.845000      1046.645      93.7   
1 1 1 16 18 27 o 55.01000       1.577000      728.6888      -4.9   
1 1 1 16 18 28 o 9.365000       0.9828000     321.3819      -76.6  
1 1 1 16 18 29 o 35.10000       1.285000      793.4622      178.7  
1 1 1 16 18 30 o 27.97000       1.317000      881.2917      -179.2 
1 1 1 16 18 31 o 68.57000       2.003000      1156.229      -52.5  
1 1 1 16 18 32 o 31.22000       1.394000      736.6141      114.2  
1 1 1 16 18 33 o 1.087000       1.141000      260.5043      -158.3 
1 1 1 16 18 34 o 15.91000       1.180000      483.2934      110.3  
1 1 1 16 18 35 o 3.052000       1.151000      160.8097      42.1   
1 1 1 16 18 36 o 2.294000       1.193000      36.42958      -136.4 
1 1 1 16 18 37 o 30.97000       1.822000      782.6198      -64.4  
1 1 1 16 18 38 o 60.01000       2.315000      956.5938      -138.8 
1 1 1 16 18 39 o 20.50000       1.313000      576.7053      -84.5  
1 1 1 16 18 40 o 3.364000       1.096000      244.1909      -109.1 
1 1 1 16 18 41 o 45.14000       1.575000      933.7550      16.2   
1 1 1 16 18 42 o 25.29000       1.303000      624.8511      -67.9  
1 1 1 16 18 43 o 4.042000       1.136000      329.1004      165.7  
1 1 1 16 18 44 o 2.156000       1.139000      167.9795      -25.3  
1 1 1 16 18 45 o 16.78000       1.262000      631.6768      111.3  
1 1 1 16 18 46 o 5.476000       1.201000      378.9304      -47.7  
1 1 1 16 18 47 o 17.69000       1.337000      560.4553      -54.1  
1 1 1 16 18 48 o 12.46000       1.327000      423.5571      163.5  
1 1 1 16 18 49 o 10.00000       1.354000      574.8756      175.5  
1 1 1 16 18 50 o 0.9465000      1.311000      162.1068      -149.8 
1 1 1 16 18 51 o 8.387000       1.365000      397.3431      -163.0 
1 1 1 16 18 52 o 7.005000       1.505000      386.2904      109.4  
1 1 1 16 18 53 o 1.279000       1.766000      159.1686      31.7   
1 1 1 16 18 54 o -1.125000      2.007000      155.1486      -113.9 
1 1 1 16 18 55 o 2.983000       1.696000      ?             ?      
1 1 1 16 18 56 o 11.34000       1.487000      ?             ?      
1 1 1 16 18 57 o 16.55000       1.400000      ?             ?      
1 1 1 16 18 58 o 3.916000       1.283000      ?             ?      
1 1 1 16 18 59 o 14.10000       1.357000      ?             ?      
1 1 1 16 18 60 o 1.801000       1.248000      ?             ?      
1 1 1 16 18 61 o 9.528000       1.303000      ?             ?      
1 1 1 16 18 62 o 2.708000       1.249000      ?             ?      
1 1 1 16 18 63 o 5.243000       1.269000      ?             ?      
1 1 1 16 18 64 o 2.794000       1.269000      ?             ?      
1 1 1 16 18 65 o 1.583000       1.272000      ?             ?      
1 1 1 16 18 66 o 2.931000       1.295000      ?             ?      
1 1 1 16 18 67 o 3.037000       1.470000      ?             ?      
1 1 1 16 18 68 o 1.982000       2.038000      ?             ?      
1 1 1 16 18 69 o 0.1505000      1.895000      ?             ?      
1 1 1 16 18 70 o 1.938000       1.671000      ?             ?      
1 1 1 16 18 71 o 1.736000       1.562000      ?             ?      
1 1 1 16 19 0  o 26.84000       1.316000      504.8049      -0.0   
1 1 1 16 19 1  o 8.016000       0.7983000     855.2843      -30.8  
1 1 1 16 19 2  o 24.01000       1.415000      808.5127      -106.3 
1 1 1 16 19 3  o 14.73000       0.9570000     791.7570      153.5  
1 1 1 16 19 4  o 191.6000       5.197000      2167.023      35.8   
1 1 1 16 19 5  o 203.7000       4.001000      2020.164      63.6   
1 1 1 16 19 6  o 85.22000       1.913000      1457.694      -128.7 
1 1 1 16 19 7  o 74.11000       2.116000      1229.388      115.0  
1 1 1 16 19 8  o 98.13000       2.358000      1878.084      14.9   
1 1 1 16 19 9  o 87.51000       2.247000      1164.173      -34.3  
1 1 1 16 19 10 o 12.40000       1.275000      512.4704      39.4   
1 1 1 16 19 11 o 166.5000       3.567000      1897.746      41.1   
1 1 1 16 19 12 o 234.1000       4.494000      2581.304      -133.0 
1 1 1 16 19 13 o 9.064000       1.161000      654.8577      -38.1  
1 1 1 16 19 14 o 15.58000       1.310000      825.0469      25.4   
1 1 1 16 19 15 o 61.12000       1.982000      1252.268      78.4   
1 1 1 16 19 16 o 53.41000       1.845000      848.4357      -70.9  
1 1 1 16 19 17 o 5.948000       1.125000      356.5627      153.3  
1 1 1 16 19 18 o 189.3000       5.206000      1857.495      11.5   
1 1 1 16 19 19 o 133.0000       3.541000      1543.434      43.3   
1 1 1 16 19 20 o 31.42000       1.287000      394.6335      -65.3  
1 1 1 16 19 21 o 163.3000       3.396000      1581.255      96.0   
1 1 1 16 19 22 o 80.45000       1.948000      1180.319      137.4  
1 1 1 16 19 23 o 7.167000       0.9575000     416.0537      76.7   
1 1 1 16 19 24 o 68.93000       1.806000      911.1103      -51.3  
1 1 1 16 19 25 o 82.69000       2.048000      1249.903      151.4  
1 1 1 16 19 26 o 47.61000       1.470000      1050.832      47.5   
1 1 1 16 19 27 o 34.23000       1.255000      737.1850      -71.1  
1 1 1 16 19 28 o 61.31000       1.672000      1326.537      -46.3  
1 1 1 16 19 29 o 3.372000       0.9537000     202.0569      -161.5 
1 1 1 16 19 30 f 10.07000       1.015000      318.2620      -130.8 
1 1 1 16 19 31 o 2.525000       0.9694000     197.9136      -128.3 
1 1 1 16 19 32 o 14.77000       1.152000      449.9656      106.0  
1 1 1 16 19 33 o 15.30000       1.251000      421.7520      -160.9 
1 1 1 16 19 34 f 33.69000       1.425000      731.6812      -62.4  
1 1 1 16 19 35 o 21.94000       1.181000      715.9561      77.8   
1 1 1 16 19 36 o 2.496000       1.288000      221.3353      -130.4 
1 1 1 16 19 37 o 29.88000       2.245000      678.2296      10.9   
1 1 1 16 19 38 o 7.454000       1.420000      337.6229      32.6   
1 1 1 16 19 39 o 24.47000       1.304000      633.2330      94.9   
1 1 1 16 19 40 o 22.63000       1.274000      659.7906      113.4  
1 1 1 16 19 41 o 12.67000       1.181000      415.2283      154.3  
1 1 1 16 19 42 o 0.5118000      1.111000      397.8124      41.0   
1 1 1 16 19 43 o 5.205000       1.153000      351.0550      7.5    
1 1 1 16 19 44 o 5.710000       1.162000      284.9910      -24.5  
1 1 1 16 19 45 o 21.71000       1.335000      815.6470      32.3   
1 1 1 16 19 46 o 10.04000       1.250000      428.2168      -49.3  
1 1 1 16 19 47 o 28.51000       1.472000      776.4818      -121.2 
1 1 1 16 19 48 o 11.21000       1.328000      442.1515      -89.9  
1 1 1 16 19 49 o 14.48000       1.400000      498.2452      177.7  
1 1 1 16 19 50 o 8.123000       1.359000      455.2861      -84.3  
1 1 1 16 19 51 o 38.12000       1.682000      960.7222      161.0  
1 1 1 16 19 52 o 0.7901000      1.454000      73.67987      -123.0 
1 1 1 16 19 53 o 2.792000       1.657000      335.5740      157.3  
1 1 1 16 19 54 o 1.720000       1.637000      ?             ?      
1 1 1 16 19 55 o 2.194000       1.446000      ?             ?      
1 1 1 16 19 56 o 5.621000       1.543000      ?             ?      
1 1 1 16 19 57 o 1.549000       1.376000      ?             ?      
1 1 1 16 19 58 o 4.795000       1.292000      ?             ?      
1 1 1 16 19 59 o 7.866000       1.286000      ?             ?      
1 1 1 16 19 60 o 3.362000       1.250000      ?             ?      
1 1 1 16 19 61 o 2.266000       1.248000      ?             ?      
1 1 1 16 19 62 o 1.009000       1.247000      ?             ?      
1 1 1 16 19 63 o 3.650000       1.264000      ?             ?      
1 1 1 16 19 64 o 2.198000       1.271000      ?             ?      
1 1 1 16 19 65 o 6.069000       1.311000      ?             ?      
1 1 1 16 19 66 o 4.891000       1.314000      ?             ?      
1 1 1 16 19 67 o 0.3415000      1.445000      ?             ?      
1 1 1 16 19 68 o -0.6093000     1.471000      ?             ?      
1 1 1 16 19 70 o 0.8123000      1.569000      ?             ?      
1 1 1 16 20 0  o 0.2737000      1.264000      534.7411      180.0  
1 1 1 16 20 1  o 201.3000       4.994000      1913.988      157.1  
1 1 1 16 20 2  o 27.07000       1.124000      731.3988      76.0   
1 1 1 16 20 3  o 74.41000       1.762000      1309.925      -100.4 
1 1 1 16 20 4  o 275.1000       5.782000      2492.254      -171.2 
1 1 1 16 20 5  o 202.8000       4.288000      2164.015      154.5  
1 1 1 16 20 6  o 84.82000       2.406000      1348.645      -117.8 
1 1 1 16 20 7  o 39.25000       1.456000      1071.219      131.1  
1 1 1 16 20 8  o 55.64000       2.321000      1085.249      129.0  
1 1 1 16 20 9  o 107.6000       3.034000      1506.162      112.1  
1 1 1 16 20 10 o 111.8000       2.808000      1421.411      -159.9 
1 1 1 16 20 11 o 42.47000       1.442000      1185.700      48.6   
1 1 1 16 20 12 o 42.93000       1.734000      1150.818      -24.7  
1 1 1 16 20 13 o 8.916000       1.257000      661.0591      -145.5 
1 1 1 16 20 14 o 128.2000       3.571000      1740.641      158.1  
1 1 1 16 20 15 o 26.09000       1.469000      960.5364      -43.1  
1 1 1 16 20 16 o 127.7000       3.694000      1469.944      -140.8 
1 1 1 16 20 17 o 59.37000       2.652000      1360.676      93.4   
1 1 1 16 20 18 o 36.58000       2.085000      972.5243      90.2   
1 1 1 16 20 19 o 27.34000       1.603000      712.5151      21.3   
1 1 1 16 20 20 o 105.9000       2.421000      1384.273      -151.0 
1 1 1 16 20 21 o 36.09000       1.334000      963.6677      162.8  
1 1 1 16 20 22 o 1.427000       0.9692000     252.0393      -6.2   
1 1 1 16 20 23 o 1.952000       0.9416000     134.8009      30.1   
1 1 1 16 20 24 o 45.62000       1.392000      1077.756      22.2   
1 1 1 16 20 25 o 92.98000       2.220000      1227.034      111.0  
1 1 1 16 20 26 f 26.02000       1.146000      738.2954      28.4   
1 1 1 16 20 27 o 9.511000       0.9720000     581.8229      25.7   
1 1 1 16 20 28 o 5.165000       0.9341000     196.0797      -159.9 
1 1 1 16 20 29 o 51.23000       1.679000      1018.042      166.4  
1 1 1 16 20 30 f 16.38000       1.077000      432.6084      43.4   
1 1 1 16 20 31 o 50.61000       1.542000      1005.661      -70.0  
1 1 1 16 20 32 o 42.37000       1.541000      843.7528      166.2  
1 1 1 16 20 33 o 10.59000       1.111000      482.4128      -43.7  
1 1 1 16 20 34 o 20.90000       1.337000      612.8676      116.5  
1 1 1 16 20 35 o 4.588000       1.143000      351.0584      -97.1  
1 1 1 16 20 36 o 10.02000       1.313000      466.9551      -160.8 
1 1 1 16 20 37 o 1.002000       1.395000      31.44271      128.7  
1 1 1 16 20 38 o 50.78000       2.151000      928.9640      -143.7 
1 1 1 16 20 39 o 21.19000       1.380000      648.5743      -116.2 
1 1 1 16 20 40 o 4.693000       1.116000      230.6333      -86.2  
1 1 1 16 20 41 o 20.32000       1.270000      649.1360      0.2    
1 1 1 16 20 42 o 14.42000       1.224000      466.6070      68.9   
1 1 1 16 20 43 o 27.91000       1.396000      743.6398      104.0  
1 1 1 16 20 44 o 4.238000       1.173000      113.8941      129.4  
1 1 1 16 20 45 f 33.55000       1.501000      599.5388      109.5  
1 1 1 16 20 46 o 4.419000       1.237000      276.7402      175.8  
1 1 1 16 20 47 o 1.336000       1.251000      219.2558      -41.8  
1 1 1 16 20 48 o 17.26000       1.394000      514.7067      -108.5 
1 1 1 16 20 49 o 6.786000       1.336000      420.1844      -73.7  
1 1 1 16 20 50 o 10.90000       1.370000      498.2581      -94.0  
1 1 1 16 20 51 o 10.68000       1.390000      441.5055      178.8  
1 1 1 16 20 52 o 7.032000       1.453000      207.2905      129.3  
1 1 1 16 20 53 o -1.707000      1.984000      168.9785      95.4   
1 1 1 16 20 54 o 5.756000       1.803000      ?             ?      
1 1 1 16 20 55 o 13.28000       1.483000      ?             ?      
1 1 1 16 20 56 o 0.3013000      1.418000      ?             ?      
1 1 1 16 20 57 o 0.6511000      1.360000      ?             ?      
1 1 1 16 20 58 o 7.224000       1.295000      ?             ?      
1 1 1 16 20 59 o 1.903000       1.244000      ?             ?      
1 1 1 16 20 60 o 3.518000       1.248000      ?             ?      
1 1 1 16 20 61 o 2.604000       1.244000      ?             ?      
1 1 1 16 20 62 o 8.004000       1.298000      ?             ?      
1 1 1 16 20 63 o 6.516000       1.291000      ?             ?      
1 1 1 16 20 64 o 1.808000       1.269000      ?             ?      
1 1 1 16 20 65 o 0.2267000      1.251000      ?             ?      
1 1 1 16 20 66 o 4.348000       1.459000      ?             ?      
1 1 1 16 20 67 o 3.813000       1.592000      ?             ?      
1 1 1 16 20 68 o -1.501000      2.489000      ?             ?      
1 1 1 16 20 69 o -1.182000      1.590000      ?             ?      
1 1 1 16 20 70 o 1.038000       1.705000      ?             ?      
1 1 1 16 21 0  o 65.47000       2.578000      1286.728      -0.0   
1 1 1 16 21 1  o 79.26000       1.793000      1216.405      -52.4  
1 1 1 16 21 2  o 203.3000       4.824000      1826.434      -92.0  
1 1 1 16 21 3  o 124.8000       2.632000      1337.973      67.7   
1 1 1 16 21 4  o 221.4000       4.880000      2241.440      -29.9  
1 1 1 16 21 5  o 92.31000       2.678000      1377.049      -160.9 
1 1 1 16 21 6  o 68.62000       3.110000      814.9213      -155.1 
1 1 1 16 21 7  o 61.20000       2.222000      767.9945      127.2  
1 1 1 16 21 8  o 69.58000       2.029000      1101.628      -23.5  
1 1 1 16 21 9  o 368.2000       7.346000      2278.407      -25.2  
1 1 1 16 21 10 o 127.8000       3.489000      1721.326      129.6  
1 1 1 16 21 11 o 10.02000       1.147000      130.9653      -126.4 
1 1 1 16 21 12 o 106.3000       2.847000      1501.729      -106.2 
1 1 1 16 21 13 o 196.3000       4.482000      2050.914      17.3   
1 1 1 16 21 14 o 93.41000       3.068000      1292.975      54.7   
1 1 1 16 21 15 o 80.28000       2.658000      1189.762      -139.4 
1 1 1 16 21 16 o 2.796000       1.393000      168.9928      -179.7 
1 1 1 16 21 17 o 259.7000       6.903000      1942.987      10.5   
1 1 1 16 21 18 o 64.17000       2.169000      1013.796      40.7   
1 1 1 16 21 19 o 18.14000       1.115000      529.5785      155.1  
1 1 1 16 21 20 o 2.640000       1.010000      100.2450      111.5  
1 1 1 16 21 21 o 83.82000       2.025000      1428.562      26.6   
1 1 1 16 21 22 o 36.41000       1.318000      760.2668      -144.2 
1 1 1 16 21 23 o 30.55000       1.202000      728.3044      23.7   
1 1 1 16 21 24 o 7.605000       0.9421000     585.6884      -70.7  
1 1 1 16 21 25 o 26.68000       1.244000      645.3625      138.5  
1 1 1 16 21 26 o 57.95000       1.601000      943.4875      -165.7 
1 1 1 16 21 27 o 20.44000       1.075000      694.4302      -11.8  
1 1 1 16 21 28 o 56.73000       1.611000      947.9766      -68.6  
1 1 1 16 21 29 o 6.999000       0.9777000     367.3009      -147.2 
1 1 1 16 21 30 o 14.97000       1.091000      474.3636      -11.8  
1 1 1 16 21 31 o 9.089000       1.004000      259.5314      -102.6 
1 1 1 16 21 32 o 16.20000       1.072000      529.8689      -21.1  
1 1 1 16 21 33 o 20.48000       1.229000      616.5117      -70.7  
1 1 1 16 21 34 o 2.965000       1.161000      516.3322      98.3   
1 1 1 16 21 35 o 16.26000       1.358000      662.1920      158.4  
1 1 1 16 21 36 o 5.829000       1.278000      446.9312      53.3   
1 1 1 16 21 37 o 83.07000       2.774000      1085.438      6.5    
1 1 1 16 21 38 o 0.3969000      1.318000      220.2097      156.0  
1 1 1 16 21 39 o 6.702000       1.245000      403.9297      70.6   
1 1 1 16 21 40 o 39.11000       1.505000      808.6454      160.1  
1 1 1 16 21 41 o 58.43000       1.818000      1179.635      63.5   
1 1 1 16 21 42 o 20.14000       1.301000      456.0773      -71.8  
1 1 1 16 21 43 o -0.3860000     1.154000      94.49268      -158.9 
1 1 1 16 21 44 o 7.112000       1.230000      359.8191      -172.6 
1 1 1 16 21 45 o 17.34000       1.354000      733.9291      -90.2  
1 1 1 16 21 46 o 13.12000       1.315000      647.4319      -91.3  
1 1 1 16 21 47 o 33.57000       1.571000      888.9506      -51.4  
1 1 1 16 21 48 o 2.530000       1.283000      242.1231      72.2   
1 1 1 16 21 49 o 1.528000       1.303000      176.3069      -61.7  
1 1 1 16 21 50 o 17.49000       1.421000      560.2391      -56.2  
1 1 1 16 21 51 o 5.436000       1.321000      333.2783      148.3  
1 1 1 16 21 52 o 2.951000       1.430000      301.3830      -34.8  
1 1 1 16 21 53 o 9.708000       1.752000      ?             ?      
1 1 1 16 21 54 o 2.065000       1.802000      ?             ?      
1 1 1 16 21 55 o 3.632000       1.395000      ?             ?      
1 1 1 16 21 56 o 0.3302000      1.394000      ?             ?      
1 1 1 16 21 57 o 1.017000       1.490000      ?             ?      
1 1 1 16 21 58 o -0.2107000     1.339000      ?             ?      
1 1 1 16 21 59 o -1.401000      1.216000      ?             ?      
1 1 1 16 21 60 o 3.238000       1.246000      ?             ?      
1 1 1 16 21 61 o 13.22000       1.351000      ?             ?      
1 1 1 16 21 62 o 0.4401000      1.371000      ?             ?      
1 1 1 16 21 63 o 1.038000       1.256000      ?             ?      
1 1 1 16 21 64 o 0.1532000      1.248000      ?             ?      
1 1 1 16 21 65 o 6.266000       1.312000      ?             ?      
1 1 1 16 21 66 o -0.5517000     1.603000      ?             ?      
1 1 1 16 21 67 o -1.285000      1.479000      ?             ?      
1 1 1 16 21 68 o 6.114000       1.508000      ?             ?      
1 1 1 16 21 69 o 0.6902000      1.475000      ?             ?      
1 1 1 16 21 70 o 1.653000       2.064000      ?             ?      
1 1 1 16 22 0  o 27.07000       1.432000      703.8695      180.0  
1 1 1 16 22 1  o 7.298000       0.9826000     248.3973      76.5   
1 1 1 16 22 2  o 64.64000       1.836000      1086.882      -3.7   
1 1 1 16 22 3  o 35.07000       1.108000      951.9221      -87.2  
1 1 1 16 22 4  o 222.8000       4.327000      2107.846      -101.1 
1 1 1 16 22 5  o 10.37000       0.9730000     945.4825      -164.8 
1 1 1 16 22 6  o 135.3000       3.475000      1703.984      -85.1  
1 1 1 16 22 7  o 225.1000       5.362000      2142.546      131.5  
1 1 1 16 22 8  o 49.76000       1.573000      1181.045      48.5   
1 1 1 16 22 9  o 43.57000       1.735000      972.5741      -8.8   
1 1 1 16 22 10 o 41.15000       1.716000      734.4340      129.7  
1 1 1 16 22 11 o 94.32000       2.383000      1187.410      83.5   
1 1 1 16 22 12 o 60.57000       1.966000      1142.747      9.2    
1 1 1 16 22 13 o 53.85000       1.884000      1046.959      -159.8 
1 1 1 16 22 14 o 7.211000       1.559000      180.3305      165.3  
1 1 1 16 22 15 o 112.1000       3.357000      1418.820      -111.3 
1 1 1 16 22 16 o 19.98000       1.668000      477.7389      179.5  
1 1 1 16 22 17 o 96.49000       2.572000      1295.723      96.7   
1 1 1 16 22 18 o 44.64000       1.603000      1097.918      61.3   
1 1 1 16 22 19 o 15.47000       1.091000      712.2385      -166.6 
1 1 1 16 22 20 o 26.64000       1.182000      893.6703      135.5  
1 1 1 16 22 21 o 1.026000       0.9903000     235.9437      45.0   
1 1 1 16 22 22 o 44.41000       1.480000      1241.665      -39.8  
1 1 1 16 22 23 o 5.386000       0.9522000     382.8539      15.2   
1 1 1 16 22 24 o 8.009000       0.9373000     452.2607      35.1   
1 1 1 16 22 25 o 10.62000       1.041000      335.3936      -98.3  
1 1 1 16 22 26 o 1.874000       0.8783000     243.9724      92.1   
1 1 1 16 22 27 o 1.938000       0.9023000     224.4784      29.1   
1 1 1 16 22 28 o 10.37000       0.9895000     541.3586      -129.2 
1 1 1 16 22 29 o 61.80000       1.702000      1210.357      87.7   
1 1 1 16 22 30 o 22.79000       1.129000      626.2284      12.1   
1 1 1 16 22 31 o 22.35000       1.136000      754.5042      -59.3  
1 1 1 16 22 32 o 37.79000       1.477000      921.2747      -68.1  
1 1 1 16 22 33 o 8.629000       1.105000      531.7531      128.8  
1 1 1 16 22 34 o 62.34000       2.270000      942.4719      -159.5 
1 1 1 16 22 35 o 39.78000       2.064000      895.6796      -147.7 
1 1 1 16 22 36 o 2.264000       1.318000      54.22318      -18.2  
1 1 1 16 22 37 o 13.75000       1.226000      555.8474      84.6   
1 1 1 16 22 38 o 52.65000       1.839000      976.6010      164.6  
1 1 1 16 22 39 o 12.16000       1.408000      515.0948      -73.8  
1 1 1 16 22 40 o 4.662000       1.280000      347.1209      -173.3 
1 1 1 16 22 41 o 26.06000       1.514000      774.8428      -38.2  
1 1 1 16 22 42 o 11.61000       1.213000      343.7711      114.0  
1 1 1 16 22 43 o 21.88000       1.334000      670.1622      -91.9  
1 1 1 16 22 44 o 3.716000       1.220000      298.0205      -109.9 
1 1 1 16 22 45 o 19.94000       1.389000      614.2328      78.1   
1 1 1 16 22 46 o 26.91000       1.488000      865.3667      27.8   
1 1 1 16 22 47 o 5.557000       1.302000      221.0021      94.4   
1 1 1 16 22 48 o 1.610000       1.301000      77.53156      135.1  
1 1 1 16 22 49 o 10.15000       1.368000      407.0785      -121.0 
1 1 1 16 22 50 o 11.08000       1.369000      473.4123      -176.7 
1 1 1 16 22 51 o 5.917000       1.434000      390.5305      137.4  
1 1 1 16 22 52 o 9.379000       1.703000      513.5103      -161.4 
1 1 1 16 22 53 o -0.9341000E-02 1.416000      ?             ?      
1 1 1 16 22 54 o 1.230000       1.417000      ?             ?      
1 1 1 16 22 55 o 8.001000       1.440000      ?             ?      
1 1 1 16 22 56 o -0.3823000     1.339000      ?             ?      
1 1 1 16 22 57 o 1.054000       1.373000      ?             ?      
1 1 1 16 22 58 o -0.5204000     1.343000      ?             ?      
1 1 1 16 22 59 o 4.742000       1.254000      ?             ?      
1 1 1 16 22 60 o -0.9552000     1.233000      ?             ?      
1 1 1 16 22 61 o 15.48000       1.382000      ?             ?      
1 1 1 16 22 62 o 7.317000       1.297000      ?             ?      
1 1 1 16 22 63 o 2.180000       1.263000      ?             ?      
1 1 1 16 22 64 o 1.654000       1.365000      ?             ?      
1 1 1 16 22 65 o 7.995000       1.662000      ?             ?      
1 1 1 16 22 66 o 5.249000       1.712000      ?             ?      
1 1 1 16 22 67 o -1.205000      1.982000      ?             ?      
1 1 1 16 22 68 o 0.1792000      1.436000      ?             ?      
1 1 1 16 22 69 o 2.274000       1.459000      ?             ?      
1 1 1 16 23 0  o 4.467000       1.114000      44.00074      -0.0   
1 1 1 16 23 1  o -1.735000      0.7810000     241.9596      98.7   
1 1 1 16 23 2  o 7.668000       0.9530000     757.2599      27.2   
1 1 1 16 23 3  o 147.6000       3.407000      1882.873      -65.9  
1 1 1 16 23 4  o 49.30000       2.202000      1026.914      -32.0  
1 1 1 16 23 5  o 3.020000       0.8846000     273.0118      -47.7  
1 1 1 16 23 6  o -0.2986000     1.089000      620.8152      -136.2 
1 1 1 16 23 7  o 24.60000       1.324000      758.0386      103.9  
1 1 1 16 23 8  o 17.28000       1.218000      774.6275      -58.7  
1 1 1 16 23 9  o 56.78000       1.711000      1034.421      147.7  
1 1 1 16 23 10 o 45.52000       1.672000      1262.108      160.4  
1 1 1 16 23 11 o 8.774000       1.165000      577.2665      29.0   
1 1 1 16 23 12 o 41.89000       2.102000      939.1225      -178.4 
1 1 1 16 23 13 o 71.71000       2.501000      1358.675      40.2   
1 1 1 16 23 14 o 9.568000       1.580000      363.0867      -143.7 
1 1 1 16 23 15 o 7.882000       1.492000      640.9348      50.2   
1 1 1 16 23 16 o 28.99000       1.501000      689.1316      -115.9 
1 1 1 16 23 17 o 11.46000       1.473000      542.8231      -22.5  
1 1 1 16 23 18 o -1.893000      1.051000      101.0728      -149.1 
1 1 1 16 23 19 o 24.23000       1.234000      665.1664      93.7   
1 1 1 16 23 20 o 49.70000       1.626000      1128.463      -20.2  
1 1 1 16 23 21 o 9.740000       1.229000      600.4645      7.9    
1 1 1 16 23 22 o 69.07000       1.835000      1258.782      -134.6 
1 1 1 16 23 23 o 116.8000       2.854000      1490.172      42.0   
1 1 1 16 23 24 o 2.538000       0.9188000     320.3646      179.6  
1 1 1 16 23 25 o 3.026000       0.8981000     332.4948      166.0  
1 1 1 16 23 26 o 8.610000       0.9372000     310.8104      -87.3  
1 1 1 16 23 27 o 3.982000       0.9015000     652.8094      -41.3  
1 1 1 16 23 28 o 9.097000       0.9795000     513.8644      0.6    
1 1 1 16 23 29 o 4.659000       0.9658000     311.0082      51.1   
1 1 1 16 23 30 o 45.49000       1.465000      1041.650      80.1   
1 1 1 16 23 31 o 16.31000       1.064000      671.7252      -83.8  
1 1 1 16 23 32 o 1.702000       0.9609000     243.6515      -27.6  
1 1 1 16 23 33 o 44.11000       1.602000      918.6956      -23.1  
1 1 1 16 23 34 o -1.119000      1.166000      75.88818      -108.0 
1 1 1 16 23 35 o 1.886000       1.506000      180.4854      -150.0 
1 1 1 16 23 36 o 24.12000       1.440000      537.3397      39.6   
1 1 1 16 23 37 o 22.23000       1.237000      673.4671      -61.7  
1 1 1 16 23 38 o 11.23000       1.277000      545.7748      -153.2 
1 1 1 16 23 39 o 10.17000       1.308000      404.8702      -35.4  
1 1 1 16 23 40 f 86.12000       2.523000      ?             ?      
1 1 1 16 23 41 o 6.786000       1.340000      488.6023      -113.1 
1 1 1 16 23 42 o 3.879000       1.167000      214.5919      -99.2  
1 1 1 16 23 43 o 8.165000       1.228000      355.2495      155.7  
1 1 1 16 23 44 o 18.65000       1.353000      472.9339      -155.4 
1 1 1 16 23 45 o 16.98000       1.382000      503.5510      38.3   
1 1 1 16 23 46 o 4.415000       1.287000      345.5562      -2.0   
1 1 1 16 23 47 o 11.69000       1.350000      400.7780      -81.3  
1 1 1 16 23 48 o 10.72000       1.356000      554.8551      -123.2 
1 1 1 16 23 49 o 20.51000       1.454000      651.6014      -57.9  
1 1 1 16 23 50 o 2.205000       1.316000      240.4328      14.2   
1 1 1 16 23 51 o 12.18000       1.510000      595.5141      -84.7  
1 1 1 16 23 52 o 5.850000       1.463000      ?             ?      
1 1 1 16 23 53 o -1.339000      1.255000      ?             ?      
1 1 1 16 23 54 o 7.276000       1.445000      ?             ?      
1 1 1 16 23 55 o 2.800000       1.502000      ?             ?      
1 1 1 16 23 56 o 8.772000       1.400000      ?             ?      
1 1 1 16 23 57 o 1.043000       1.376000      ?             ?      
1 1 1 16 23 58 o 4.746000       1.482000      ?             ?      
1 1 1 16 23 59 o -1.093000      1.327000      ?             ?      
1 1 1 16 23 60 o 10.46000       1.309000      ?             ?      
1 1 1 16 23 61 o 3.498000       1.271000      ?             ?      
1 1 1 16 23 62 o 2.918000       1.375000      ?             ?      
1 1 1 16 23 63 o 1.776000       1.369000      ?             ?      
1 1 1 16 23 64 o 2.949000       1.404000      ?             ?      
1 1 1 16 23 65 o 5.716000       1.475000      ?             ?      
1 1 1 16 23 66 o -1.920000      1.654000      ?             ?      
1 1 1 16 23 67 o 7.458000       1.577000      ?             ?      
1 1 1 16 23 68 o 0.6480000      1.476000      ?             ?      
1 1 1 16 23 69 o 2.199000       1.341000      ?             ?      
1 1 1 16 24 0  o 54.18000       2.860000      1296.571      180.0  
1 1 1 16 24 1  o 99.38000       2.250000      1479.983      8.6    
1 1 1 16 24 2  o 116.6000       2.849000      1531.229      -61.5  
1 1 1 16 24 3  o 0.9283000      0.8900000     463.4541      -18.6  
1 1 1 16 24 4  o 110.8000       2.885000      1486.287      -56.0  
1 1 1 16 24 5  o 242.4000       5.777000      1915.731      128.8  
1 1 1 16 24 6  o 6.925000       0.9904000     19.64186      55.8   
1 1 1 16 24 7  o 27.00000       1.295000      1141.889      51.8   
1 1 1 16 24 8  o 45.10000       1.691000      1196.707      -48.1  
1 1 1 16 24 9  o 2.414000       1.067000      175.3999      68.0   
1 1 1 16 24 10 o 85.04000       2.714000      1208.909      -123.7 
1 1 1 16 24 11 o 1.782000       1.100000      568.5223      90.6   
1 1 1 16 24 12 o 74.74000       2.542000      1231.091      150.4  
1 1 1 16 24 13 o 35.59000       1.818000      794.8560      -109.6 
1 1 1 16 24 14 o 85.64000       4.250000      1350.769      131.0  
1 1 1 16 24 15 o 14.58000       2.176000      726.8895      -113.0 
1 1 1 16 24 16 o 21.51000       2.371000      801.3569      63.4   
1 1 1 16 24 17 o 65.50000       2.265000      1112.216      -11.5  
1 1 1 16 24 18 o 22.85000       1.598000      891.7196      117.0  
1 1 1 16 24 19 o 1.464000       1.094000      86.53773      87.8   
1 1 1 16 24 20 o -0.3790000E-01 1.006000      149.7172      -79.3  
1 1 1 16 24 21 o 96.69000       2.605000      1276.287      -22.9  
1 1 1 16 24 22 o 4.106000       0.9805000     461.1630      -114.8 
1 1 1 16 24 23 o 8.069000       1.081000      488.6974      -122.7 
1 1 1 16 24 24 o -1.227000      0.8833000     60.97029      -78.6  
1 1 1 16 24 25 o 37.06000       1.278000      918.3895      -148.1 
1 1 1 16 24 26 o 44.64000       1.430000      1034.045      151.3  
1 1 1 16 24 27 o 4.007000       0.9228000     107.4652      -72.2  
1 1 1 16 24 28 o 14.51000       1.008000      612.9608      -113.7 
1 1 1 16 24 29 o 61.53000       1.715000      1080.726      158.1  
1 1 1 16 24 30 o 10.54000       1.023000      515.1270      -42.3  
1 1 1 16 24 31 o 1.924000       0.9611000     218.2532      140.3  
1 1 1 16 24 32 o 13.34000       1.042000      598.0944      15.9   
1 1 1 16 24 33 o 43.37000       1.540000      863.1091      147.1  
1 1 1 16 24 34 o 1.899000       1.228000      92.31837      -36.4  
1 1 1 16 24 35 o 10.34000       1.489000      284.2079      129.5  
1 1 1 16 24 36 o 3.467000       1.210000      299.3861      -111.9 
1 1 1 16 24 37 o 12.27000       1.240000      538.1754      -155.7 
1 1 1 16 24 38 o 15.60000       1.178000      522.8283      72.8   
1 1 1 16 24 39 o 3.711000       1.256000      370.0496      7.4    
1 1 1 16 24 40 o 10.63000       1.473000      526.7872      -67.2  
1 1 1 16 24 41 o 4.415000       1.320000      307.8182      97.4   
1 1 1 16 24 42 o 34.73000       1.507000      894.4712      -68.9  
1 1 1 16 24 43 o 22.02000       1.379000      792.3641      -138.6 
1 1 1 16 24 44 o 25.05000       1.427000      613.5691      131.0  
1 1 1 16 24 45 o 4.788000       1.274000      364.1041      30.2   
1 1 1 16 24 46 o 16.23000       1.379000      537.9555      54.8   
1 1 1 16 24 47 o 1.457000       1.290000      188.2288      -149.7 
1 1 1 16 24 48 o -0.3671000     1.279000      43.87201      -94.8  
1 1 1 16 24 49 o 14.22000       1.383000      470.2008      -39.3  
1 1 1 16 24 50 o 5.602000       1.443000      346.2393      72.1   
1 1 1 16 24 51 o 16.97000       1.728000      685.0491      169.6  
1 1 1 16 24 52 o 1.734000       1.432000      ?             ?      
1 1 1 16 24 53 o 0.7911000      1.266000      ?             ?      
1 1 1 16 24 54 o 1.269000       1.270000      ?             ?      
1 1 1 16 24 55 o 2.479000       1.385000      ?             ?      
1 1 1 16 24 56 o 1.959000       1.355000      ?             ?      
1 1 1 16 24 57 o 0.6112000      1.241000      ?             ?      
1 1 1 16 24 58 o 5.121000       1.397000      ?             ?      
1 1 1 16 24 59 o 6.920000       1.389000      ?             ?      
1 1 1 16 24 60 o 0.1608000      1.336000      ?             ?      
1 1 1 16 24 61 o 6.402000       1.417000      ?             ?      
1 1 1 16 24 62 o 5.200000       1.397000      ?             ?      
1 1 1 16 24 63 o -0.1455000E-01 1.233000      ?             ?      
1 1 1 16 24 64 o 3.982000       1.434000      ?             ?      
1 1 1 16 24 65 o 0.3796000      1.616000      ?             ?      
1 1 1 16 24 66 o 1.399000       1.659000      ?             ?      
1 1 1 16 24 68 o 4.689000       1.851000      ?             ?      
1 1 1 16 25 0  o -1.883000      1.203000      28.03530      -180.0 
1 1 1 16 25 1  o 76.06000       1.956000      1338.299      -126.4 
1 1 1 16 25 2  o 105.4000       2.724000      1347.700      164.3  
1 1 1 16 25 3  o 82.77000       2.327000      1382.413      -3.7   
1 1 1 16 25 4  o 14.74000       1.030000      590.4844      43.3   
1 1 1 16 25 5  o 23.26000       1.200000      661.7805      -172.2 
1 1 1 16 25 6  o 9.405000       1.207000      456.6587      144.4  
1 1 1 16 25 7  o 37.42000       1.578000      851.0037      28.0   
1 1 1 16 25 8  o 27.61000       1.291000      881.7426      -160.5 
1 1 1 16 25 9  o 32.75000       1.353000      873.9286      110.0  
1 1 1 16 25 10 o 9.741000       1.083000      499.9410      177.2  
1 1 1 16 25 11 o 33.94000       1.566000      938.1865      -111.8 
1 1 1 16 25 12 o 9.693000       1.996000      888.6067      -154.2 
1 1 1 16 25 13 o 6.501000       1.157000      305.3303      -144.0 
1 1 1 16 25 14 o 34.50000       1.523000      940.5957      -99.5  
1 1 1 16 25 15 o 1.536000       1.379000      164.3074      -18.6  
1 1 1 16 25 16 o 7.846000       1.367000      347.5113      12.3   
1 1 1 16 25 17 o 19.26000       1.291000      511.6817      -40.4  
1 1 1 16 25 18 o 15.18000       1.471000      573.1654      23.9   
1 1 1 16 25 19 o 19.95000       1.486000      767.5730      -133.3 
1 1 1 16 25 20 o 10.66000       1.022000      349.6287      -3.0   
1 1 1 16 25 21 o 2.923000       1.052000      301.3356      -59.7  
1 1 1 16 25 22 o 1.383000       0.9976000     159.1739      -84.8  
1 1 1 16 25 23 o 11.08000       0.9860000     577.3811      101.2  
1 1 1 16 25 24 o 20.49000       1.121000      724.1451      -47.7  
1 1 1 16 25 25 o 17.93000       1.079000      726.5526      -90.9  
1 1 1 16 25 26 o 7.949000       0.9695000     353.9909      -52.5  
1 1 1 16 25 27 o 36.39000       1.283000      739.2351      -18.5  
1 1 1 16 25 28 o 9.097000       0.9508000     314.7106      -41.3  
1 1 1 16 25 29 o 2.176000       0.9175000     197.8073      -135.6 
1 1 1 16 25 30 o 8.546000       0.9793000     402.7673      -140.1 
1 1 1 16 25 31 o 12.92000       1.040000      432.2159      159.7  
1 1 1 16 25 32 o 0.8619000      0.9709000     110.4432      72.4   
1 1 1 16 25 33 o 10.09000       1.126000      417.7806      17.4   
1 1 1 16 25 34 o 7.046000       1.310000      395.3585      -69.4  
1 1 1 16 25 35 o 2.272000       1.202000      136.4842      -23.7  
1 1 1 16 25 36 o 13.09000       1.313000      538.6613      -46.8  
1 1 1 16 25 37 o 8.933000       1.208000      374.5354      -126.4 
1 1 1 16 25 38 o 3.968000       1.095000      277.2010      65.5   
1 1 1 16 25 39 o 2.006000       1.228000      49.07875      51.6   
1 1 1 16 25 40 o 2.763000       1.265000      247.8020      45.6   
1 1 1 16 25 41 o 1.917000       1.417000      206.5267      -116.8 
1 1 1 16 25 42 o 4.777000       1.339000      200.7014      -152.5 
1 1 1 16 25 43 o 3.097000       1.240000      207.0669      52.1   
1 1 1 16 25 44 o 6.320000       1.287000      315.6307      28.0   
1 1 1 16 25 45 o 8.544000       1.299000      487.9981      156.1  
1 1 1 16 25 46 o 2.412000       1.272000      238.7213      36.0   
1 1 1 16 25 47 o 8.161000       1.321000      411.7242      -156.9 
1 1 1 16 25 48 o 0.1586000      1.279000      154.6885      137.7  
1 1 1 16 25 49 o -0.2755000     1.342000      192.4530      -9.7   
1 1 1 16 25 50 o 5.079000       1.465000      397.7126      134.4  
1 1 1 16 25 51 o 8.221000       1.488000      ?             ?      
1 1 1 16 25 52 o 0.3595000      1.254000      ?             ?      
1 1 1 16 25 53 o 2.666000       1.255000      ?             ?      
1 1 1 16 25 54 o -0.9177000     1.231000      ?             ?      
1 1 1 16 25 55 o -0.2604000     1.373000      ?             ?      
1 1 1 16 25 56 o 3.362000       1.473000      ?             ?      
1 1 1 16 25 57 o 4.218000       1.367000      ?             ?      
1 1 1 16 25 58 o -0.2291000     1.463000      ?             ?      
1 1 1 16 25 59 o -0.9456000     1.453000      ?             ?      
1 1 1 16 25 60 o 7.106000       1.526000      ?             ?      
1 1 1 16 25 61 o -1.766000      1.220000      ?             ?      
1 1 1 16 25 62 o -2.186000      1.222000      ?             ?      
1 1 1 16 25 63 o 0.2692000      1.330000      ?             ?      
1 1 1 16 25 64 o 0.8139000      1.621000      ?             ?      
1 1 1 16 25 65 o 2.173000       1.461000      ?             ?      
1 1 1 16 25 66 o 3.910000       1.380000      ?             ?      
1 1 1 16 25 67 o 0.9155000      1.309000      ?             ?      
1 1 1 16 25 68 o 1.569000       1.312000      ?             ?      
1 1 1 16 26 0  o 19.46000       1.715000      560.1362      0.0    
1 1 1 16 26 1  o 24.08000       1.020000      619.7088      -49.6  
1 1 1 16 26 2  o 7.767000       0.8595000     508.6635      89.5   
1 1 1 16 26 3  o 4.385000       0.8531000     233.3108      78.4   
1 1 1 16 26 4  o 4.380000       0.9306000     403.5652      62.2   
1 1 1 16 26 5  o 87.31000       2.539000      1123.790      96.7   
1 1 1 16 26 6  o 72.56000       2.274000      1082.798      -62.8  
1 1 1 16 26 7  o 3.762000       0.8929000     330.9458      -15.0  
1 1 1 16 26 8  o 43.51000       1.652000      1079.697      -165.3 
1 1 1 16 26 9  o 14.74000       1.220000      307.3710      -60.7  
1 1 1 16 26 10 o 21.12000       1.257000      632.8774      -143.5 
1 1 1 16 26 11 o 2.854000       1.246000      405.3938      -24.5  
1 1 1 16 26 12 o 26.92000       1.544000      513.4899      133.9  
1 1 1 16 26 13 o 3.111000       1.117000      305.8260      -57.9  
1 1 1 16 26 14 o 14.11000       1.267000      505.7106      116.8  
1 1 1 16 26 15 o 6.883000       1.364000      227.8719      92.6   
1 1 1 16 26 16 o 3.158000       1.329000      168.7881      40.4   
1 1 1 16 26 17 o 0.5505000      1.089000      324.4072      -49.1  
1 1 1 16 26 18 o 17.84000       1.251000      504.6400      112.2  
1 1 1 16 26 19 o 2.151000       1.093000      464.0677      3.9    
1 1 1 16 26 20 o 6.605000       1.126000      755.4773      -23.7  
1 1 1 16 26 21 o -1.258000      0.9993000     190.9275      -133.0 
1 1 1 16 26 22 o 1.844000       1.017000      351.9722      -138.6 
1 1 1 16 26 23 o 2.101000       0.9159000     272.8693      -70.9  
1 1 1 16 26 24 o 28.44000       1.295000      876.0112      174.7  
1 1 1 16 26 25 o 21.30000       1.212000      661.6581      -177.3 
1 1 1 16 26 26 o 19.88000       1.082000      545.4899      25.6   
1 1 1 16 26 27 o 0.1229000      0.9376000     178.6315      -26.5  
1 1 1 16 26 28 o 4.323000       0.9590000     282.9384      -179.1 
1 1 1 16 26 29 o 13.46000       1.013000      575.1031      -135.6 
1 1 1 16 26 30 o 7.967000       0.9524000     509.7217      20.9   
1 1 1 16 26 31 o 0.2305000      0.9377000     180.5311      157.7  
1 1 1 16 26 32 o 1.711000       1.020000      464.1702      160.0  
1 1 1 16 26 33 o 1.935000       1.154000      268.2061      19.9   
1 1 1 16 26 34 o 6.619000       1.198000      211.9129      25.9   
1 1 1 16 26 35 o 3.117000       1.215000      318.8021      174.6  
1 1 1 16 26 36 o 25.11000       1.480000      808.7204      -83.9  
1 1 1 16 26 37 o 1.005000       1.183000      106.5448      11.9   
1 1 1 16 26 38 o 22.30000       1.414000      622.8679      35.6   
1 1 1 16 26 39 o 0.3770000      1.102000      242.8710      171.7  
1 1 1 16 26 40 o -0.3426000     1.249000      196.0847      -63.3  
1 1 1 16 26 41 o 4.748000       1.427000      258.0441      83.9   
1 1 1 16 26 42 o 14.79000       1.464000      633.1649      -67.2  
1 1 1 16 26 43 o 25.42000       1.470000      735.8110      -161.3 
1 1 1 16 26 44 o 31.34000       1.548000      737.5444      150.7  
1 1 1 16 26 45 o 3.608000       1.276000      277.5292      -37.6  
1 1 1 16 26 46 o 5.915000       1.291000      305.0607      -98.3  
1 1 1 16 26 47 o 9.554000       1.319000      252.2512      -156.9 
1 1 1 16 26 48 o 2.499000       1.274000      274.1573      19.7   
1 1 1 16 26 49 o 2.043000       1.410000      149.8000      -170.1 
1 1 1 16 26 50 o 4.279000       1.556000      ?             ?      
1 1 1 16 26 51 o 1.148000       1.326000      ?             ?      
1 1 1 16 26 52 o 4.611000       1.262000      ?             ?      
1 1 1 16 26 53 o 0.9649000      1.240000      ?             ?      
1 1 1 16 26 54 o 2.067000       1.236000      ?             ?      
1 1 1 16 26 55 o 3.253000       1.379000      ?             ?      
1 1 1 16 26 56 o -0.1655000     1.670000      ?             ?      
1 1 1 16 26 57 o 2.944000       1.464000      ?             ?      
1 1 1 16 26 58 o 1.229000       1.380000      ?             ?      
1 1 1 16 26 59 o 0.7962000      1.352000      ?             ?      
1 1 1 16 26 60 o 3.307000       1.484000      ?             ?      
1 1 1 16 26 61 o 1.275000       1.359000      ?             ?      
1 1 1 16 26 62 o -0.4285000     1.361000      ?             ?      
1 1 1 16 26 63 o 1.644000       1.530000      ?             ?      
1 1 1 16 26 64 o 1.924000       1.393000      ?             ?      
1 1 1 16 26 65 o 0.9882000E-01  1.418000      ?             ?      
1 1 1 16 26 66 o 1.493000       1.283000      ?             ?      
1 1 1 16 26 67 o 1.474000       1.295000      ?             ?      
1 1 1 16 27 0  o 1.485000       1.127000      258.9941      180.0  
1 1 1 16 27 1  o 9.271000       0.8350000     539.2454      167.2  
1 1 1 16 27 2  o 26.52000       1.052000      741.6437      118.2  
1 1 1 16 27 3  o 29.36000       1.219000      742.5580      48.4   
1 1 1 16 27 4  o 17.29000       0.9590000     544.3912      14.9   
1 1 1 16 27 5  o 18.70000       0.9970000     764.9571      137.9  
1 1 1 16 27 6  o 14.36000       0.9692000     709.4628      22.1   
1 1 1 16 27 7  o 0.2278000E-01  0.8791000     224.0331      40.2   
1 1 1 16 27 8  o 2.713000       1.029000      240.1123      155.1  
1 1 1 16 27 9  o 0.6031000      1.028000      180.2195      122.7  
1 1 1 16 27 10 o 10.54000       1.004000      579.0853      -116.0 
1 1 1 16 27 11 o 67.18000       2.649000      1153.617      -86.8  
1 1 1 16 27 12 o 2.047000       1.130000      316.0692      49.3   
1 1 1 16 27 13 o 22.10000       1.372000      723.2477      -112.5 
1 1 1 16 27 14 o 29.38000       1.685000      955.7305      -77.4  
1 1 1 16 27 15 o -0.9389000     1.289000      98.68477      130.4  
1 1 1 16 27 16 o 7.367000       1.094000      268.3981      -20.4  
1 1 1 16 27 17 o -0.7926000     1.035000      217.0549      -124.0 
1 1 1 16 27 18 o -0.2550000     1.045000      280.0871      98.3   
1 1 1 16 27 19 o 25.31000       1.295000      797.1698      -115.0 
1 1 1 16 27 20 o 4.674000       1.075000      299.1894      -28.9  
1 1 1 16 27 21 o 5.495000       1.062000      359.5282      42.0   
1 1 1 16 27 22 o 2.503000       0.9123000     235.4346      -149.3 
1 1 1 16 27 23 o 0.4881000      0.9396000     58.70012      -28.9  
1 1 1 16 27 24 o 1.489000       0.9639000     133.7884      -53.2  
1 1 1 16 27 25 o 4.035000       0.9905000     360.9715      -106.9 
1 1 1 16 27 26 o 1.441000       0.9287000     207.7619      -9.2   
1 1 1 16 27 27 o -0.7784000     0.9530000     162.2236      150.2  
1 1 1 16 27 28 o 9.209000       1.040000      504.1888      -82.0  
1 1 1 16 27 29 o 0.3620000      0.9258000     173.5004      20.9   
1 1 1 16 27 30 o 4.705000       0.9556000     353.5120      139.0  
1 1 1 16 27 31 o 2.156000       0.9953000     133.7231      114.3  
1 1 1 16 27 32 o 32.33000       1.565000      864.9353      38.6   
1 1 1 16 27 33 o 4.899000       1.206000      407.4119      -131.1 
1 1 1 16 27 34 o 2.250000       1.185000      208.7865      -176.2 
1 1 1 16 27 35 o 3.294000       1.117000      168.6320      -33.7  
1 1 1 16 27 36 o 9.331000       1.225000      519.4126      34.1   
1 1 1 16 27 37 o 5.534000       1.287000      485.1620      111.0  
1 1 1 16 27 38 o 3.894000       1.236000      350.5617      -129.1 
1 1 1 16 27 39 o 11.80000       1.213000      403.0546      132.2  
1 1 1 16 27 40 o 2.577000       1.155000      209.4743      -177.6 
1 1 1 16 27 41 o 0.2558000      1.284000      192.0566      58.0   
1 1 1 16 27 42 o 0.4299000      1.493000      77.48474      -37.5  
1 1 1 16 27 43 o 1.601000       1.429000      235.3041      -144.7 
1 1 1 16 27 44 o 2.460000       1.267000      125.3896      -49.7  
1 1 1 16 27 45 o 4.301000       1.271000      338.7769      -149.8 
1 1 1 16 27 46 o 2.900000       1.326000      147.1075      56.0   
1 1 1 16 27 47 o 5.329000       1.286000      332.1623      -173.2 
1 1 1 16 27 48 o 0.6084000      1.309000      186.8155      157.0  
1 1 1 16 27 49 o 5.012000       1.543000      366.0044      37.9   
1 1 1 16 27 50 o -0.5831000     1.378000      ?             ?      
1 1 1 16 27 51 o 0.8562000      1.368000      ?             ?      
1 1 1 16 27 52 o 3.130000       1.245000      ?             ?      
1 1 1 16 27 53 o 1.331000       1.232000      ?             ?      
1 1 1 16 27 54 o 1.378000       1.358000      ?             ?      
1 1 1 16 27 55 o 1.427000       1.243000      ?             ?      
1 1 1 16 27 56 o -0.2643000     1.485000      ?             ?      
1 1 1 16 27 57 o -3.243000      1.471000      ?             ?      
1 1 1 16 27 58 o -0.8467000E-01 1.331000      ?             ?      
1 1 1 16 27 59 o 0.8790000      1.567000      ?             ?      
1 1 1 16 27 60 o 5.761000       1.827000      ?             ?      
1 1 1 16 27 61 o 1.704000       1.698000      ?             ?      
1 1 1 16 27 62 o -1.149000      1.227000      ?             ?      
1 1 1 16 27 63 o 0.1784000E-01  1.374000      ?             ?      
1 1 1 16 27 64 o -1.698000      1.397000      ?             ?      
1 1 1 16 27 65 o 0.5784000      1.341000      ?             ?      
1 1 1 16 27 66 o 2.284000       1.276000      ?             ?      
1 1 1 16 27 67 o -0.7930000     1.288000      ?             ?      
1 1 1 16 28 0  o 1.064000       1.086000      56.18214      0.0    
1 1 1 16 28 1  o 1.185000       0.7878000     249.6984      -30.2  
1 1 1 16 28 2  o 7.118000       0.8355000     293.3421      101.9  
1 1 1 16 28 3  o 6.866000       0.8539000     388.0232      160.8  
1 1 1 16 28 4  o 6.643000       0.8687000     499.2495      179.2  
1 1 1 16 28 5  o 25.51000       1.395000      749.8172      131.6  
1 1 1 16 28 6  o 5.704000       0.8953000     272.6046      -161.3 
1 1 1 16 28 7  o 8.407000       0.9199000     328.4561      -68.0  
1 1 1 16 28 8  o 9.474000       1.070000      381.4579      168.5  
1 1 1 16 28 9  o 5.343000       1.297000      308.7338      148.3  
1 1 1 16 28 10 o 5.096000       1.318000      377.0125      -19.8  
1 1 1 16 28 11 o -2.342000      1.352000      308.1844      -26.4  
1 1 1 16 28 12 o 5.995000       1.082000      320.3675      63.0   
1 1 1 16 28 13 o 0.4334000      1.042000      120.1773      -97.6  
1 1 1 16 28 14 o -1.993000      1.205000      184.9076      26.9   
1 1 1 16 28 15 o -1.786000      1.269000      224.4848      51.7   
1 1 1 16 28 16 o 5.636000       1.062000      380.7473      -100.1 
1 1 1 16 28 17 o -0.2527000     1.018000      76.65862      46.3   
1 1 1 16 28 18 o 7.797000       1.058000      357.1099      43.7   
1 1 1 16 28 19 o -3.117000      1.026000      154.1386      -57.6  
1 1 1 16 28 20 o 1.405000       1.025000      137.2275      -103.7 
1 1 1 16 28 21 o 17.88000       1.161000      745.6898      163.5  
1 1 1 16 28 22 o 0.3690000      1.007000      101.4829      70.5   
1 1 1 16 28 23 o 7.839000       0.9910000     453.1695      -108.3 
1 1 1 16 28 24 o 6.180000       0.9935000     414.1301      127.1  
1 1 1 16 28 25 o -1.053000      0.8911000     137.2185      1.8    
1 1 1 16 28 26 o 0.3311000      0.9695000     166.2574      30.9   
1 1 1 16 28 27 o 5.484000       1.014000      307.0073      112.3  
1 1 1 16 28 28 o 0.3310000      0.9171000     135.6617      117.0  
1 1 1 16 28 29 o 0.5001000E-01  0.9192000     199.2188      -161.4 
1 1 1 16 28 30 o 3.673000       1.003000      210.1674      37.7   
1 1 1 16 28 31 o 4.170000       1.083000      321.4514      165.8  
1 1 1 16 28 32 o 2.599000       1.083000      214.6959      -24.3  
1 1 1 16 28 33 o 5.057000       1.209000      302.1195      17.2   
1 1 1 16 28 34 o 1.713000       1.106000      148.4951      22.6   
1 1 1 16 28 35 o -0.9915000     1.041000      117.4268      165.0  
1 1 1 16 28 36 o 0.7585000      1.161000      162.0809      -92.9  
1 1 1 16 28 37 o 9.157000       1.351000      372.9730      -170.2 
1 1 1 16 28 38 o 2.426000       1.234000      246.4122      -56.6  
1 1 1 16 28 39 o 0.7270000      1.159000      134.8863      -27.3  
1 1 1 16 28 40 o 3.034000       1.173000      91.41557      -113.8 
1 1 1 16 28 41 o 1.114000       1.323000      265.3285      -63.1  
1 1 1 16 28 42 o 30.21000       1.772000      725.8196      -146.1 
1 1 1 16 28 43 o 2.074000       1.507000      312.9544      158.7  
1 1 1 16 28 44 o 1.782000       1.393000      102.8188      -122.5 
1 1 1 16 28 45 o 4.159000       1.273000      282.1654      -37.1  
1 1 1 16 28 46 o 7.594000       1.285000      299.6461      -116.5 
1 1 1 16 28 47 o 1.510000       1.266000      196.7047      -44.0  
1 1 1 16 28 48 o 5.382000       1.411000      298.0870      99.9   
1 1 1 16 28 49 o 5.172000       1.549000      ?             ?      
1 1 1 16 28 50 o -0.5104000     1.280000      ?             ?      
1 1 1 16 28 51 o 8.644000       1.291000      ?             ?      
1 1 1 16 28 52 o 5.237000       1.412000      ?             ?      
1 1 1 16 28 53 o 1.597000       1.246000      ?             ?      
1 1 1 16 28 54 o 3.240000       1.375000      ?             ?      
1 1 1 16 28 55 o 5.656000       1.246000      ?             ?      
1 1 1 16 28 56 o -0.3440000     1.339000      ?             ?      
1 1 1 16 28 57 o 0.5854000      1.446000      ?             ?      
1 1 1 16 28 58 o 1.129000       1.430000      ?             ?      
1 1 1 16 28 59 o -0.7851000     1.343000      ?             ?      
1 1 1 16 28 60 o 0.2816000      1.342000      ?             ?      
1 1 1 16 28 61 o -1.960000      1.464000      ?             ?      
1 1 1 16 28 62 o -0.8357000     1.461000      ?             ?      
1 1 1 16 28 63 o -0.7841000E-01 1.402000      ?             ?      
1 1 1 16 28 64 o -0.1990000     1.407000      ?             ?      
1 1 1 16 28 65 o 0.5042000      1.276000      ?             ?      
1 1 1 16 28 66 o 2.203000       1.299000      ?             ?      
1 1 1 16 29 0  o 0.8956000      1.105000      142.0242      0.0    
1 1 1 16 29 1  f 2.512000       0.7854000     201.0332      70.3   
1 1 1 16 29 2  o -0.1290000E-01 0.7882000     176.1096      104.4  
1 1 1 16 29 3  o 0.9940000      0.8149000     174.2563      21.2   
1 1 1 16 29 4  o 14.40000       0.9831000     441.6509      -44.1  
1 1 1 16 29 5  o 3.550000       0.8414000     146.7561      26.9   
1 1 1 16 29 6  o 0.7849000      0.8455000     224.7721      -79.1  
1 1 1 16 29 7  o 4.171000       0.9225000     250.1761      -131.4 
1 1 1 16 29 8  o -1.064000      1.023000      79.58971      -71.0  
1 1 1 16 29 9  o 7.429000       1.337000      494.2595      -96.7  
1 1 1 16 29 10 o 5.737000       1.339000      209.1174      16.1   
1 1 1 16 29 11 o 4.183000       1.114000      236.0542      124.2  
1 1 1 16 29 12 o 11.53000       1.157000      377.7477      -109.1 
1 1 1 16 29 13 o 0.3532000      1.212000      150.1758      -71.3  
1 1 1 16 29 14 o 2.916000       1.206000      76.24802      -172.5 
1 1 1 16 29 15 o 2.918000       1.058000      182.6548      -15.9  
1 1 1 16 29 16 o 4.130000       1.055000      268.4024      49.0   
1 1 1 16 29 17 o 4.460000       1.060000      234.3973      69.9   
1 1 1 16 29 18 o 1.805000       1.048000      275.8547      -78.1  
1 1 1 16 29 19 o 9.778000       1.091000      507.1448      -142.7 
1 1 1 16 29 20 o -1.406000      1.017000      71.65072      -46.3  
1 1 1 16 29 21 o 7.825000       1.064000      315.5882      58.0   
1 1 1 16 29 22 o 4.764000       1.023000      305.4298      -112.8 
1 1 1 16 29 23 o 3.144000       1.007000      218.8122      -126.4 
1 1 1 16 29 24 o 0.7342000      0.8952000     168.0580      17.4   
1 1 1 16 29 25 o -1.094000      0.9074000     118.7014      -120.4 
1 1 1 16 29 26 o 3.285000       0.9412000     375.0564      -157.0 
1 1 1 16 29 27 o 0.1191000      0.9516000     215.5682      -52.6  
1 1 1 16 29 28 o 3.224000       0.9417000     268.8466      13.0   
1 1 1 16 29 29 o 5.125000       0.9722000     298.7953      50.1   
1 1 1 16 29 30 o 4.192000       0.9740000     265.7749      173.1  
1 1 1 16 29 31 o 8.209000       1.105000      392.5723      15.7   
1 1 1 16 29 32 o 6.764000       1.122000      315.0899      108.8  
1 1 1 16 29 33 o 10.49000       1.084000      424.2253      176.2  
1 1 1 16 29 34 o -0.5056000     1.065000      147.8543      31.9   
1 1 1 16 29 35 o 3.405000       1.061000      262.9370      1.6    
1 1 1 16 29 36 o 1.145000       1.225000      91.09335      42.3   
1 1 1 16 29 37 o 1.910000       1.410000      169.4157      138.8  
1 1 1 16 29 38 o -0.9370000     1.437000      83.89415      53.3   
1 1 1 16 29 39 o 3.387000       1.292000      290.8083      137.3  
1 1 1 16 29 40 o 12.35000       1.292000      481.6267      -102.0 
1 1 1 16 29 41 o 3.654000       1.256000      269.2067      -35.3  
1 1 1 16 29 42 o 3.032000       1.417000      238.8932      -64.6  
1 1 1 16 29 43 o 1.152000       1.507000      195.9134      -100.0 
1 1 1 16 29 44 o 3.996000       1.434000      207.2845      43.7   
1 1 1 16 29 45 o 8.770000       1.329000      437.7892      -82.5  
1 1 1 16 29 46 o 1.174000       1.257000      124.8050      -49.6  
1 1 1 16 29 47 o -0.6190000     1.318000      132.3630      104.3  
1 1 1 16 29 48 o 0.4860000      1.481000      ?             ?      
1 1 1 16 29 49 o 3.465000       1.404000      ?             ?      
1 1 1 16 29 50 o 2.543000       1.410000      ?             ?      
1 1 1 16 29 51 f 1.346000       1.395000      ?             ?      
1 1 1 16 29 52 o -0.2800000     1.364000      ?             ?      
1 1 1 16 29 53 o 4.414000       1.246000      ?             ?      
1 1 1 16 29 54 o 2.325000       1.222000      ?             ?      
1 1 1 16 29 55 o 2.415000       1.297000      ?             ?      
1 1 1 16 29 56 o 1.005000       1.331000      ?             ?      
1 1 1 16 29 57 o 0.7662000E-01  1.334000      ?             ?      
1 1 1 16 29 58 o -1.142000      1.427000      ?             ?      
1 1 1 16 29 59 o -0.9915000     1.306000      ?             ?      
1 1 1 16 29 60 o 0.9314000      1.342000      ?             ?      
1 1 1 16 29 61 o -1.047000      1.356000      ?             ?      
1 1 1 16 29 62 o 0.2657000      1.557000      ?             ?      
1 1 1 16 29 63 o 0.8647000      1.620000      ?             ?      
1 1 1 16 29 64 o -0.7789000     1.323000      ?             ?      
1 1 1 16 29 65 o -0.5960000     1.278000      ?             ?      
1 1 1 16 29 66 o 1.505000       1.300000      ?             ?      
1 1 1 16 30 0  o 7.643000       1.174000      249.7717      0.0    
1 1 1 16 30 1  o 2.743000       0.7897000     174.6354      -171.3 
1 1 1 16 30 2  o 3.678000       0.7960000     300.4391      104.1  
1 1 1 16 30 3  o 0.4659000      0.7934000     35.14955      9.8    
1 1 1 16 30 4  o 2.162000       0.8075000     94.47301      64.3   
1 1 1 16 30 5  o 0.8677000      0.7983000     151.3528      71.6   
1 1 1 16 30 6  o 2.761000       0.8197000     56.82740      -41.1  
1 1 1 16 30 7  o -0.1126000     0.8444000     149.7197      -1.1   
1 1 1 16 30 8  o 4.837000       1.005000      390.8445      -39.5  
1 1 1 16 30 9  o 2.533000       1.273000      329.3207      175.9  
1 1 1 16 30 10 o 0.3950000      1.298000      177.8495      -112.7 
1 1 1 16 30 11 o 6.839000       1.121000      330.8653      19.4   
1 1 1 16 30 12 o 2.709000       1.102000      228.5959      15.1   
1 1 1 16 30 13 o 2.305000       1.377000      180.0619      26.8   
1 1 1 16 30 14 o 1.024000       1.151000      71.20101      46.5   
1 1 1 16 30 15 o 3.194000       1.031000      168.2212      -121.3 
1 1 1 16 30 16 o -1.377000      1.025000      99.86344      34.7   
1 1 1 16 30 17 o 2.148000       1.054000      232.1080      -172.1 
1 1 1 16 30 18 o 1.593000       1.062000      184.4913      157.5  
1 1 1 16 30 19 o 4.318000       1.086000      340.1458      0.6    
1 1 1 16 30 20 o 4.715000       1.078000      216.3671      101.1  
1 1 1 16 30 21 o -0.9524000     0.9851000     29.39468      36.4   
1 1 1 16 30 22 o 0.5903000E-01  0.9927000     118.5846      12.1   
1 1 1 16 30 23 o 2.730000       1.000000      208.3743      -61.7  
1 1 1 16 30 24 o 1.778000       0.9988000     36.99461      89.2   
1 1 1 16 30 25 o 4.309000       0.9232000     171.3014      112.3  
1 1 1 16 30 26 o 1.234000       0.9070000     24.20514      -57.8  
1 1 1 16 30 27 o 2.582000       0.8773000     156.4503      67.9   
1 1 1 16 30 28 o 6.641000       0.9316000     339.3226      76.1   
1 1 1 16 30 29 o -0.3079000     0.9290000     154.5042      -154.6 
1 1 1 16 30 30 o -0.4887000     0.9528000     55.75090      -97.3  
1 1 1 16 30 31 f 3.038000       1.021000      196.7298      -112.8 
1 1 1 16 30 32 o 0.9727000      1.072000      147.5575      63.2   
1 1 1 16 30 33 o 1.559000       1.049000      182.1439      -7.2   
1 1 1 16 30 34 o 2.682000       1.016000      196.0616      142.5  
1 1 1 16 30 35 o -1.365000      1.005000      55.77560      -101.4 
1 1 1 16 30 36 o 0.5800000      1.194000      153.6151      -144.8 
1 1 1 16 30 37 o 3.906000       1.383000      162.2557      -85.5  
1 1 1 16 30 38 o 3.023000       1.373000      205.7130      -27.2  
1 1 1 16 30 39 o -0.2914000     1.398000      182.2800      8.0    
1 1 1 16 30 40 o 1.555000       1.294000      146.1956      -72.2  
1 1 1 16 30 41 o 1.775000       1.292000      15.26020      -42.5  
1 1 1 16 30 42 o 10.76000       1.330000      412.0473      178.3  
1 1 1 16 30 43 o 11.08000       1.456000      421.0841      32.6   
1 1 1 16 30 44 o 0.7685000      1.517000      72.90127      -15.1  
1 1 1 16 30 45 o 0.4625000      1.411000      136.2504      -106.7 
1 1 1 16 30 46 o 1.006000       1.266000      195.4272      -10.1  
1 1 1 16 30 47 o 4.280000       1.404000      ?             ?      
1 1 1 16 30 48 o -0.2959000     1.653000      ?             ?      
1 1 1 16 30 49 o 2.561000       1.306000      ?             ?      
1 1 1 16 30 50 o 1.920000       1.363000      ?             ?      
1 1 1 16 30 51 o -0.8228000     1.200000      ?             ?      
1 1 1 16 30 52 o 1.676000       1.311000      ?             ?      
1 1 1 16 30 53 o 1.374000       1.298000      ?             ?      
1 1 1 16 30 54 o -0.6447000     1.305000      ?             ?      
1 1 1 16 30 55 o 2.161000       1.191000      ?             ?      
1 1 1 16 30 56 o 1.813000       1.194000      ?             ?      
1 1 1 16 30 57 o 0.1934000      1.328000      ?             ?      
1 1 1 16 30 58 o -0.4441000     1.414000      ?             ?      
1 1 1 16 30 59 o 1.259000       1.337000      ?             ?      
1 1 1 16 30 60 o 0.5060000      1.225000      ?             ?      
1 1 1 16 30 61 o 1.025000       1.422000      ?             ?      
1 1 1 16 30 62 o 5.376000       2.232000      ?             ?      
1 1 1 16 30 63 o 1.325000       1.586000      ?             ?      
1 1 1 16 30 64 o -0.6757000     1.278000      ?             ?      
1 1 1 16 30 65 o -0.4604000     1.747000      ?             ?      
1 1 1 16 31 0  o -0.8509000     1.070000      52.16583      0.0    
1 1 1 16 31 1  o 1.020000       0.7717000     219.3896      101.8  
1 1 1 16 31 2  o 0.6115000      0.7746000     32.25800      -91.3  
1 1 1 16 31 3  o 2.271000       0.7976000     173.2694      62.3   
1 1 1 16 31 4  o 1.046000       0.7876000     150.8652      -122.8 
1 1 1 16 31 5  o 0.4749000      0.7997000     132.8513      -25.8  
1 1 1 16 31 6  o 0.9961000      0.8215000     214.4256      135.7  
1 1 1 16 31 7  o 0.4882000      0.8503000     149.7207      -60.7  
1 1 1 16 31 8  o 0.7267000      0.9178000     41.00537      -14.8  
1 1 1 16 31 9  o 4.008000       1.255000      98.67563      28.1   
1 1 1 16 31 10 o 0.4128000      1.048000      104.0243      162.1  
1 1 1 16 31 11 o 0.1406000      1.053000      99.00951      146.9  
1 1 1 16 31 12 o 0.6745000      1.334000      37.31123      66.5   
1 1 1 16 31 13 o 2.478000       1.315000      130.2654      128.4  
1 1 1 16 31 14 f -1.036000      1.014000      74.78878      -56.1  
1 1 1 16 31 15 o -0.9249000     1.008000      59.73975      -85.3  
1 1 1 16 31 16 o -1.407000      1.026000      39.85664      129.3  
1 1 1 16 31 17 o 1.151000       1.067000      210.7292      122.0  
1 1 1 16 31 18 o 2.180000       1.056000      103.7350      81.3   
1 1 1 16 31 19 o 1.397000       1.075000      252.1378      -165.2 
1 1 1 16 31 20 o 2.666000       1.036000      204.5674      36.9   
1 1 1 16 31 21 o 1.197000       1.000000      105.5137      54.3   
1 1 1 16 31 22 o 2.272000       1.050000      220.7645      20.6   
1 1 1 16 31 23 o 2.116000       1.017000      30.26714      -127.1 
1 1 1 16 31 24 o 2.315000       0.9981000     134.9053      167.5  
1 1 1 16 31 25 o 0.2964000      0.9974000     45.94239      173.9  
1 1 1 16 31 26 o 1.181000       0.8856000     122.6193      147.1  
1 1 1 16 31 27 o 0.5955000      0.8809000     150.8175      110.3  
1 1 1 16 31 28 o -1.386000      0.8518000     126.9712      -125.1 
1 1 1 16 31 29 o -0.3202000E-01 0.9111000     22.83392      -1.9   
1 1 1 16 31 30 o -1.163000      0.9948000     57.75386      -142.2 
1 1 1 16 31 31 o 0.9394000      0.9537000     88.42873      57.1   
1 1 1 16 31 32 o -0.7944000     0.9685000     83.09977      127.1  
1 1 1 16 31 33 o 3.397000       1.004000      197.6777      -121.9 
1 1 1 16 31 34 o -1.552000      0.9649000     99.21260      2.1    
1 1 1 16 31 35 o 3.734000       1.044000      123.0419      -127.9 
1 1 1 16 31 36 o 2.617000       1.116000      123.6939      81.2   
1 1 1 16 31 37 o 3.010000       1.347000      100.3906      119.4  
1 1 1 16 31 38 o -2.211000      1.339000      42.57733      -26.9  
1 1 1 16 31 39 o 0.9537000      1.491000      11.14947      167.2  
1 1 1 16 31 40 o -1.310000      1.353000      33.93864      -68.3  
1 1 1 16 31 41 o -0.6723000     1.218000      49.18092      135.8  
1 1 1 16 31 42 o -0.3441000     1.292000      49.47415      163.5  
1 1 1 16 31 43 o 2.516000       1.521000      60.22900      -106.1 
1 1 1 16 31 44 o 0.8648000      1.487000      90.85871      168.0  
1 1 1 16 31 45 f -0.3074000     1.488000      165.9554      -48.4  
1 1 1 16 31 46 o 5.081000       1.573000      ?             ?      
1 1 1 16 31 47 o 1.998000       1.480000      ?             ?      
1 1 1 16 31 48 o -0.2154000     1.557000      ?             ?      
1 1 1 16 31 49 o -0.2556000     1.201000      ?             ?      
1 1 1 16 31 50 o 1.792000       1.324000      ?             ?      
1 1 1 16 31 51 o -1.055000      1.279000      ?             ?      
1 1 1 16 31 52 f 0.3962000      1.297000      ?             ?      
1 1 1 16 31 53 o 1.494000       1.195000      ?             ?      
1 1 1 16 31 54 o 1.110000       1.156000      ?             ?      
1 1 1 16 31 55 o 2.388000       1.166000      ?             ?      
1 1 1 16 31 56 o 0.9819000      1.175000      ?             ?      
1 1 1 16 31 57 o 1.614000       1.198000      ?             ?      
1 1 1 16 31 58 o -1.770000      1.329000      ?             ?      
1 1 1 16 31 59 o 1.510000       1.444000      ?             ?      
1 1 1 16 31 60 o 0.4975000      1.332000      ?             ?      
1 1 1 16 31 61 o -1.241000      1.375000      ?             ?      
1 1 1 16 31 62 o -0.6839000     1.664000      ?             ?      
1 1 1 16 31 63 o -0.7042000     1.632000      ?             ?      
1 1 1 16 31 64 o -0.4079000     1.284000      ?             ?      
1 1 1 16 31 65 o 3.455000       2.421000      ?             ?      
1 1 1 16 32 0  o -1.061000      1.064000      26.32538      180.0  
1 1 1 16 32 1  o 0.2145000      0.7691000     93.75831      8.9    
1 1 1 16 32 2  o -0.1856000E-01 0.7922000     157.8662      175.3  
1 1 1 16 32 3  o 1.602000       0.8039000     197.7725      6.0    
1 1 1 16 32 4  o 0.3604000      0.7847000     26.53745      -8.5   
1 1 1 16 32 5  o -0.2536000     0.7963000     95.49201      51.0   
1 1 1 16 32 6  o 2.020000       0.8218000     36.75327      -26.6  
1 1 1 16 32 7  o 0.4759000      0.8845000     76.92603      -59.1  
1 1 1 16 32 8  o 0.8970000      0.9579000     48.27858      95.4   
1 1 1 16 32 9  o 0.7487000      1.036000      123.4077      -168.5 
1 1 1 16 32 10 o -0.1372000     1.040000      59.90242      166.0  
1 1 1 16 32 11 o -0.5496000     1.024000      79.48994      -11.3  
1 1 1 16 32 12 o 0.4435000      1.300000      98.09004      -4.1   
1 1 1 16 32 13 o 1.667000       1.275000      165.9170      87.8   
1 1 1 16 32 14 o -0.5625000     1.016000      79.84497      -88.8  
1 1 1 16 32 15 o 2.103000       1.120000      86.15319      -119.9 
1 1 1 16 32 16 o 0.6851000      1.034000      61.85054      -98.6  
1 1 1 16 32 17 o 1.033000       1.034000      127.0768      79.2   
1 1 1 16 32 18 o 0.4377000      1.035000      122.0583      -169.1 
1 1 1 16 32 19 o 2.269000       1.088000      111.4693      -148.8 
1 1 1 16 32 20 o 0.2694000      1.027000      84.00951      69.0   
1 1 1 16 32 21 o 2.235000       1.009000      72.50254      -33.1  
1 1 1 16 32 22 o 0.4177000      1.013000      112.6445      -172.4 
1 1 1 16 32 23 o -0.1651000     1.002000      40.55064      132.7  
1 1 1 16 32 24 o 1.274000       1.026000      56.91281      -123.9 
1 1 1 16 32 25 o 4.008000       1.068000      88.40005      -179.6 
1 1 1 16 32 26 o -1.074000      1.026000      57.96765      78.9   
1 1 1 16 32 27 o -0.8329000     0.8881000     49.97852      124.2  
1 1 1 16 32 28 o 0.4250000E-01  0.9009000     123.5857      93.5   
1 1 1 16 32 29 o 0.6783000      0.8942000     38.34877      15.3   
1 1 1 16 32 30 o 0.1765000      0.9359000     66.92731      101.3  
1 1 1 16 32 31 o -2.012000      0.9289000     190.3581      -52.9  
1 1 1 16 32 32 o 0.2982000      0.9234000     134.1766      61.0   
1 1 1 16 32 33 o 1.454000       0.9431000     61.00241      -69.2  
1 1 1 16 32 34 o 1.426000       0.9751000     8.275384      139.8  
1 1 1 16 32 35 o 2.516000       1.068000      129.0373      -101.9 
1 1 1 16 32 36 o -0.2792000     1.078000      119.0807      -66.1  
1 1 1 16 32 37 o -0.7252000     1.068000      107.8286      140.6  
1 1 1 16 32 38 o 1.220000       1.263000      21.27411      -41.1  
1 1 1 16 32 39 o 1.187000       1.465000      47.70617      -117.7 
1 1 1 16 32 40 o 3.496000       1.337000      80.80803      -165.3 
1 1 1 16 32 41 o 0.8314000      1.214000      66.44640      81.3   
1 1 1 16 32 42 o 1.235000       1.281000      77.79358      152.2  
1 1 1 16 32 43 o 3.755000       1.498000      106.4868      125.4  
1 1 1 16 32 44 o 2.397000       1.477000      86.27940      -11.5  
1 1 1 16 32 45 o 2.890000       1.527000      101.0966      -89.6  
1 1 1 16 32 46 o 1.217000       1.761000      ?             ?      
1 1 1 16 32 47 o -1.316000      1.403000      ?             ?      
1 1 1 16 32 48 o -1.070000      1.332000      ?             ?      
1 1 1 16 32 49 o 0.9841000      1.291000      ?             ?      
1 1 1 16 32 50 o 1.215000       1.326000      ?             ?      
1 1 1 16 32 51 o -0.6405000     1.173000      ?             ?      
1 1 1 16 32 52 o 0.1627000      1.151000      ?             ?      
1 1 1 16 32 53 o -1.140000      1.140000      ?             ?      
1 1 1 16 32 54 o -1.044000      1.144000      ?             ?      
1 1 1 16 32 55 o 2.148000       1.180000      ?             ?      
1 1 1 16 32 56 o 0.4048000      1.162000      ?             ?      
1 1 1 16 32 57 o 0.8385000      1.193000      ?             ?      
1 1 1 16 32 58 o 1.216000       1.334000      ?             ?      
1 1 1 16 32 59 o 1.914000       1.441000      ?             ?      
1 1 1 16 32 60 o 2.055000       1.404000      ?             ?      
1 1 1 16 32 61 o -1.618000      1.516000      ?             ?      
1 1 1 16 32 62 o 2.474000       1.618000      ?             ?      
1 1 1 16 32 63 o 1.363000       1.532000      ?             ?      
1 1 1 16 32 64 o 0.8128000      1.414000      ?             ?      
1 1 1 16 33 0  o -1.670000      1.080000      28.03397      -180.0 
1 1 1 16 33 1  o 1.979000       0.7793000     57.86444      -7.8   
1 1 1 16 33 2  o 0.5029000      0.8066000     119.1872      -7.0   
1 1 1 16 33 3  o 1.784000       0.7974000     3.548836      -172.7 
1 1 1 16 33 4  o 0.1404000      0.7962000     67.98991      88.2   
1 1 1 16 33 5  o -0.5306000     0.7977000     55.48093      35.4   
1 1 1 16 33 6  o -0.9176000E-01 0.8629000     138.3542      -40.1  
1 1 1 16 33 7  o -1.518000      0.8690000     92.81364      -151.6 
1 1 1 16 33 8  o -1.995000      0.9644000     72.09508      -84.0  
1 1 1 16 33 9  o 0.7858000      1.028000      255.4377      -28.0  
1 1 1 16 33 10 o 2.932000       1.018000      62.69003      -11.5  
1 1 1 16 33 11 o 1.991000       1.293000      57.69935      96.3   
1 1 1 16 33 12 o 1.112000       1.281000      50.28885      69.9   
1 1 1 16 33 13 o -0.6721000     1.021000      68.23738      -20.4  
1 1 1 16 33 14 o -0.7046000     0.9963000     65.47085      59.3   
1 1 1 16 33 15 o 3.054000       1.126000      153.6268      16.2   
1 1 1 16 33 16 o -0.4392000     1.112000      104.4764      -92.9  
1 1 1 16 33 17 o -0.8501000     0.9849000     36.44684      -3.9   
1 1 1 16 33 18 o 2.382000       1.013000      122.9388      -15.1  
1 1 1 16 33 19 o 1.801000       1.018000      120.7846      -22.9  
1 1 1 16 33 20 o 1.539000       1.028000      121.0133      -85.6  
1 1 1 16 33 21 o 1.274000       1.025000      146.8713      -95.9  
1 1 1 16 33 22 o 0.8722000      1.004000      69.32302      61.7   
1 1 1 16 33 23 o 1.399000       0.9922000     115.4425      -89.1  
1 1 1 16 33 24 o 0.3379000      0.9517000     101.0992      -120.3 
1 1 1 16 33 25 o 2.009000       1.053000      150.1210      120.9  
1 1 1 16 33 26 o 3.107000       1.083000      234.1667      -52.9  
1 1 1 16 33 27 o 0.2082000      1.033000      19.03757      -6.9   
1 1 1 16 33 28 o 0.3132000      0.9082000     35.61328      179.8  
1 1 1 16 33 29 o 0.2262000      0.9778000     147.8724      174.3  
1 1 1 16 33 30 o -0.8187000     0.9419000     33.32846      11.3   
1 1 1 16 33 31 o -0.5874000     0.9273000     94.81830      -156.7 
1 1 1 16 33 32 o 0.1500000      0.9144000     38.17815      -80.7  
1 1 1 16 33 33 o -0.2028000     0.9333000     18.60438      -34.5  
1 1 1 16 33 34 o 0.8868000      0.9528000     70.72876      -36.8  
1 1 1 16 33 35 o -0.1754000     0.9929000     27.34733      166.9  
1 1 1 16 33 36 o 2.619000       1.050000      218.3654      -140.3 
1 1 1 16 33 37 o -0.3786000     1.050000      21.69023      69.4   
1 1 1 16 33 38 o 0.4903000      1.254000      120.1833      -40.7  
1 1 1 16 33 39 o 1.116000       1.527000      74.39235      -151.2 
1 1 1 16 33 40 o 13.28000       1.948000      336.9041      -106.7 
1 1 1 16 33 41 o 0.6814000      1.414000      85.86774      -77.9  
1 1 1 16 33 42 o -0.3956000     1.401000      38.26888      -118.1 
1 1 1 16 33 43 o 2.171000       1.372000      88.00604      179.9  
1 1 1 16 33 44 o 1.853000       1.330000      63.88616      -109.6 
1 1 1 16 33 45 o -1.209000      1.443000      ?             ?      
1 1 1 16 33 46 f 4.624000       2.936000      ?             ?      
1 1 1 16 33 47 o -0.2539000     1.555000      ?             ?      
1 1 1 16 33 48 o -0.8174000     1.294000      ?             ?      
1 1 1 16 33 49 o 2.585000       1.257000      ?             ?      
1 1 1 16 33 50 o 0.4778000      1.206000      ?             ?      
1 1 1 16 33 51 o -1.975000      1.133000      ?             ?      
1 1 1 16 33 52 o 0.7715000      1.132000      ?             ?      
1 1 1 16 33 53 o 2.377000       1.155000      ?             ?      
1 1 1 16 33 54 o 0.9370000      1.153000      ?             ?      
1 1 1 16 33 55 o 1.176000       1.160000      ?             ?      
1 1 1 16 33 56 o -0.4579000     1.162000      ?             ?      
1 1 1 16 33 57 o 4.011000       1.211000      ?             ?      
1 1 1 16 33 58 o -0.6379000     1.182000      ?             ?      
1 1 1 16 33 59 o 0.7862000      1.357000      ?             ?      
1 1 1 16 33 60 o 1.481000       1.700000      ?             ?      
1 1 1 16 33 61 o 2.596000       1.582000      ?             ?      
1 1 1 16 33 62 o 0.8226000      1.813000      ?             ?      
1 1 1 16 33 63 o 1.169000       1.706000      ?             ?      
1 1 1 16 34 0  o 2.550000       1.096000      152.8556      0.0    
1 1 1 16 34 1  o 0.7394000      0.7656000     124.8922      -2.1   
1 1 1 16 34 2  o 0.8262000      0.7989000     36.08617      116.5  
1 1 1 16 34 3  o 4.425000       0.8170000     239.4833      -12.3  
1 1 1 16 34 4  o 1.186000       0.8011000     135.5607      155.6  
1 1 1 16 34 5  o 2.014000       0.8048000     139.7487      63.2   
1 1 1 16 34 6  o 7.002000       0.9171000     282.0614      -13.7  
1 1 1 16 34 7  o 0.6268000      0.9588000     63.78873      96.3   
1 1 1 16 34 8  o 5.939000       0.9710000     273.8476      84.1   
1 1 1 16 34 9  o -0.4757000E-01 1.013000      139.9683      -159.3 
1 1 1 16 34 10 o 1.028000       1.009000      148.1090      55.2   
1 1 1 16 34 11 o 4.519000       1.281000      282.6788      104.2  
1 1 1 16 34 12 o -2.121000      1.266000      120.4429      0.6    
1 1 1 16 34 13 o 0.8538000      1.013000      61.23208      84.4   
1 1 1 16 34 14 o 2.487000       1.022000      239.2469      124.9  
1 1 1 16 34 15 o 4.190000       1.139000      222.7934      -14.1  
1 1 1 16 34 16 o 1.234000       1.118000      97.33389      12.3   
1 1 1 16 34 17 o -0.1650000E-01 1.105000      137.5212      117.8  
1 1 1 16 34 18 o 4.575000       1.084000      96.90955      55.0   
1 1 1 16 34 19 o -0.4060000E-02 0.9856000     89.24277      150.3  
1 1 1 16 34 20 o 2.498000       1.012000      187.5598      60.2   
1 1 1 16 34 21 o 3.050000       1.022000      198.2000      -44.5  
1 1 1 16 34 22 o -0.5521000E-01 0.9858000     144.8003      129.9  
1 1 1 16 34 23 o 0.6005000E-01  0.9843000     95.20409      102.4  
1 1 1 16 34 24 o 2.157000       0.9775000     67.34446      -142.6 
1 1 1 16 34 25 o 2.448000       0.9816000     206.6493      116.2  
1 1 1 16 34 26 o 0.1863000      0.9984000     140.5824      36.7   
1 1 1 16 34 27 o -0.2899000     1.122000      83.60563      106.1  
1 1 1 16 34 28 o -1.151000      1.113000      161.0421      3.0    
1 1 1 16 34 29 o -0.5630000     0.9540000     173.5768      -30.6  
1 1 1 16 34 30 o 0.6589000      0.9961000     119.7555      72.1   
1 1 1 16 34 31 o 3.617000       0.9624000     221.0298      109.7  
1 1 1 16 34 32 o 0.5233000      0.9221000     66.26385      -68.3  
1 1 1 16 34 33 o 1.325000       0.9582000     84.72456      -94.7  
1 1 1 16 34 34 o 3.752000       0.9911000     200.9166      43.2   
1 1 1 16 34 35 o 6.248000       1.038000      300.4922      -17.1  
1 1 1 16 34 36 f 1.587000       1.032000      168.4343      79.8   
1 1 1 16 34 37 o 2.267000       1.046000      243.5095      85.5   
1 1 1 16 34 38 o 0.6619000      1.046000      127.4289      37.6   
1 1 1 16 34 39 o 7.513000       1.710000      249.8299      -23.9  
1 1 1 16 34 40 o -2.438000      1.435000      86.50842      117.8  
1 1 1 16 34 41 o 4.612000       2.247000      278.1234      17.5   
1 1 1 16 34 42 o -1.451000      1.456000      65.51597      64.9   
1 1 1 16 34 43 o -1.080000      1.165000      49.86290      -39.4  
1 1 1 16 34 44 o 0.5351000      1.301000      ?             ?      
1 1 1 16 34 45 o -2.333000      1.643000      ?             ?      
1 1 1 16 34 46 o 3.213000       2.053000      ?             ?      
1 1 1 16 34 47 o 0.4062000      1.569000      ?             ?      
1 1 1 16 34 48 o 1.256000       1.445000      ?             ?      
1 1 1 16 34 49 o 1.357000       1.193000      ?             ?      
1 1 1 16 34 50 o 1.071000       1.182000      ?             ?      
1 1 1 16 34 51 o 0.1646000      1.142000      ?             ?      
1 1 1 16 34 52 o 1.098000       1.189000      ?             ?      
1 1 1 16 34 53 o 0.5197000      1.200000      ?             ?      
1 1 1 16 34 54 o -0.5298000     1.199000      ?             ?      
1 1 1 16 34 55 o -0.1752000     1.144000      ?             ?      
1 1 1 16 34 56 o 1.099000       1.158000      ?             ?      
1 1 1 16 34 57 o 1.418000       1.302000      ?             ?      
1 1 1 16 34 58 o 1.864000       1.195000      ?             ?      
1 1 1 16 34 59 o -0.2149000     1.472000      ?             ?      
1 1 1 16 34 60 o -0.8446000     2.326000      ?             ?      
1 1 1 16 34 61 o 1.702000       1.540000      ?             ?      
1 1 1 16 34 62 o 0.9512000      1.237000      ?             ?      
1 1 1 16 34 63 o 3.022000       3.682000      ?             ?      
1 1 1 16 35 0  o -0.4688000     1.072000      169.3944      0.0    
1 1 1 16 35 1  o 1.165000       0.7743000     145.1649      -90.9  
1 1 1 16 35 2  o 0.7716000      0.7928000     31.90272      116.6  
1 1 1 16 35 3  o -0.3811000E-01 0.7787000     141.3143      98.5   
1 1 1 16 35 4  o 0.8802000      0.8009000     149.8534      14.2   
1 1 1 16 35 5  o 1.058000       0.8647000     104.2912      -97.2  
1 1 1 16 35 6  o 5.852000       0.9280000     355.1978      143.1  
1 1 1 16 35 7  o 3.074000       0.9836000     202.0298      69.5   
1 1 1 16 35 8  o -1.105000      0.9112000     206.7768      165.5  
1 1 1 16 35 9  o 4.812000       1.042000      121.8598      121.3  
1 1 1 16 35 10 o 0.4881000E-01  1.013000      120.9118      -46.9  
1 1 1 16 35 11 o 1.903000       1.219000      269.9131      29.0   
1 1 1 16 35 12 o 2.600000       1.308000      312.6151      137.3  
1 1 1 16 35 13 o 3.264000       1.039000      235.3538      21.7   
1 1 1 16 35 14 o 1.253000       1.006000      93.47851      -148.5 
1 1 1 16 35 15 o 0.9620000      1.023000      214.6718      69.7   
1 1 1 16 35 16 o 5.596000       1.164000      332.0168      97.8   
1 1 1 16 35 17 o 8.517000       1.180000      298.0557      106.3  
1 1 1 16 35 18 o 0.7363000      1.129000      166.2776      94.4   
1 1 1 16 35 19 o 0.9748000      0.9982000     221.4702      132.4  
1 1 1 16 35 20 o -0.7079000     1.010000      203.7920      68.7   
1 1 1 16 35 21 o 3.284000       1.039000      309.5700      -88.7  
1 1 1 16 35 22 o 2.850000       1.030000      258.3826      -21.2  
1 1 1 16 35 23 o 4.056000       1.021000      307.8384      -108.8 
1 1 1 16 35 24 o 2.629000       1.001000      241.6286      179.1  
1 1 1 16 35 25 o 1.111000       0.9898000     120.3336      61.3   
1 1 1 16 35 26 o 2.237000       0.9870000     163.8944      173.4  
1 1 1 16 35 27 o 2.764000       1.139000      249.5287      140.1  
1 1 1 16 35 28 o 1.050000       1.153000      81.50594      1.9    
1 1 1 16 35 29 o 1.726000       1.080000      206.8870      124.4  
1 1 1 16 35 30 o 2.390000       1.297000      136.4556      -67.1  
1 1 1 16 35 31 o -1.400000      0.8909000     100.4083      -32.1  
1 1 1 16 35 32 o 6.106000       0.9601000     360.6095      -29.3  
1 1 1 16 35 33 o 3.197000       0.9544000     187.7747      118.3  
1 1 1 16 35 34 o -0.7789000     0.9678000     85.55676      -163.8 
1 1 1 16 35 35 o 4.727000       1.004000      270.0854      151.7  
1 1 1 16 35 36 o 2.499000       1.193000      79.21909      -111.3 
1 1 1 16 35 37 f 1.966000       1.208000      231.3472      -166.9 
1 1 1 16 35 38 o -0.5869000     1.115000      106.9867      -36.0  
1 1 1 16 35 39 o 1.159000       1.298000      181.0257      -151.1 
1 1 1 16 35 40 o -0.4326000     1.224000      37.73294      159.2  
1 1 1 16 35 41 o -0.2590000     1.318000      54.64749      -25.7  
1 1 1 16 35 42 o 3.375000       1.271000      ?             ?      
1 1 1 16 35 43 o -1.195000      1.281000      ?             ?      
1 1 1 16 35 44 o -0.8792000     1.443000      ?             ?      
1 1 1 16 35 45 o 3.973000       1.329000      ?             ?      
1 1 1 16 35 46 o 1.755000       1.524000      ?             ?      
1 1 1 16 35 47 o 0.3519000      1.323000      ?             ?      
1 1 1 16 35 48 o 0.9083000      1.375000      ?             ?      
1 1 1 16 35 49 o 0.4928000      1.370000      ?             ?      
1 1 1 16 35 50 o -0.4344000     1.116000      ?             ?      
1 1 1 16 35 51 o 2.010000       1.184000      ?             ?      
1 1 1 16 35 52 o -0.2711000     1.153000      ?             ?      
1 1 1 16 35 53 o 0.6472000      1.156000      ?             ?      
1 1 1 16 35 54 o 2.033000       1.134000      ?             ?      
1 1 1 16 35 55 o 0.3139000      1.220000      ?             ?      
1 1 1 16 35 56 o 2.074000       1.225000      ?             ?      
1 1 1 16 35 57 o 2.437000       1.255000      ?             ?      
1 1 1 16 35 58 o 0.6245000      1.184000      ?             ?      
1 1 1 16 35 59 o -1.543000      1.300000      ?             ?      
1 1 1 16 35 60 o 1.805000       1.556000      ?             ?      
1 1 1 16 35 61 o 0.3409000      1.555000      ?             ?      
1 1 1 16 35 62 o -0.5086000     1.350000      ?             ?      
1 1 1 16 36 0  o 7.412000       1.154000      393.1192      -0.0   
1 1 1 16 36 1  o 2.692000       0.8010000     203.3250      26.2   
1 1 1 16 36 2  o 1.070000       0.7967000     170.6164      99.6   
1 1 1 16 36 3  o 5.206000       0.8280000     317.3292      60.3   
1 1 1 16 36 4  o 3.780000       0.8371000     312.0854      -60.4  
1 1 1 16 36 5  o -0.8760000     0.8666000     57.69837      -74.5  
1 1 1 16 36 6  o -0.4684000     0.9497000     56.32357      67.9   
1 1 1 16 36 7  o 9.007000       0.9821000     475.5560      -178.9 
1 1 1 16 36 8  o 5.937000       0.8908000     239.4201      105.9  
1 1 1 16 36 9  o 4.940000       1.059000      209.0213      -107.1 
1 1 1 16 36 10 o 9.886000       1.172000      394.6115      112.6  
1 1 1 16 36 11 o 0.5431000      1.187000      109.4657      99.7   
1 1 1 16 36 12 o 0.5442000      1.014000      110.4871      -151.9 
1 1 1 16 36 13 o 6.940000       1.059000      379.1367      74.9   
1 1 1 16 36 14 o 8.994000       1.167000      233.5459      126.2  
1 1 1 16 36 15 o 6.148000       1.025000      276.0934      -95.5  
1 1 1 16 36 16 o 7.641000       1.174000      313.4350      -172.9 
1 1 1 16 36 17 o -1.461000      1.117000      75.03357      171.3  
1 1 1 16 36 18 o 4.256000       1.178000      269.3674      147.3  
1 1 1 16 36 19 o 5.098000       1.188000      433.7921      -155.2 
1 1 1 16 36 20 o 1.079000       1.036000      163.4424      -14.3  
1 1 1 16 36 21 o 1.069000       1.029000      74.17559      -12.3  
1 1 1 16 36 22 o 3.513000       1.047000      217.8551      -53.5  
1 1 1 16 36 23 o 3.910000       1.069000      275.9288      -169.1 
1 1 1 16 36 24 o 6.654000       1.100000      351.4527      -164.0 
1 1 1 16 36 25 o -0.3654000     1.036000      147.5273      -108.9 
1 1 1 16 36 26 o 1.079000       1.157000      283.6643      -78.3  
1 1 1 16 36 27 o 0.2028000E-01  1.165000      123.4330      -164.9 
1 1 1 16 36 28 o -0.9914000     1.062000      23.02285      -125.3 
1 1 1 16 36 29 o 5.038000       1.290000      357.5065      28.3   
1 1 1 16 36 30 o 8.131000       1.310000      335.1179      109.4  
1 1 1 16 36 31 o 8.296000       1.201000      256.2100      28.0   
1 1 1 16 36 32 o -1.197000      0.8963000     162.2627      -55.0  
1 1 1 16 36 33 o -0.1725000     0.9174000     99.95803      -95.0  
1 1 1 16 36 34 o 1.098000       1.154000      164.8459      88.3   
1 1 1 16 36 35 o 1.790000       1.235000      206.1131      -25.6  
1 1 1 16 36 36 o -0.4342000     1.240000      130.4498      65.4   
1 1 1 16 36 37 o 1.422000       1.147000      188.6237      50.3   
1 1 1 16 36 38 o 0.8596000      1.062000      88.31451      -168.7 
1 1 1 16 36 39 o 2.626000       1.140000      231.4936      35.1   
1 1 1 16 36 40 o 3.467000       1.284000      232.0423      19.4   
1 1 1 16 36 41 o 2.194000       1.290000      ?             ?      
1 1 1 16 36 42 o -1.689000      1.264000      ?             ?      
1 1 1 16 36 43 o 0.6131000      1.237000      ?             ?      
1 1 1 16 36 44 o 4.351000       1.320000      ?             ?      
1 1 1 16 36 45 o 4.961000       1.349000      ?             ?      
1 1 1 16 36 46 o 7.548000       1.220000      ?             ?      
1 1 1 16 36 47 o 3.225000       1.471000      ?             ?      
1 1 1 16 36 48 o 1.248000       1.555000      ?             ?      
1 1 1 16 36 49 o -1.368000      1.313000      ?             ?      
1 1 1 16 36 50 o -0.5612000     1.105000      ?             ?      
1 1 1 16 36 51 o -0.5127000     1.135000      ?             ?      
1 1 1 16 36 52 o 1.468000       1.167000      ?             ?      
1 1 1 16 36 53 o -0.8388000     1.163000      ?             ?      
1 1 1 16 36 54 o 0.9281000E-01  1.143000      ?             ?      
1 1 1 16 36 55 o -1.372000      1.179000      ?             ?      
1 1 1 16 36 56 o 3.417000       1.213000      ?             ?      
1 1 1 16 36 57 o -0.9368000E-01 1.167000      ?             ?      
1 1 1 16 36 58 o 0.2187000      1.283000      ?             ?      
1 1 1 16 36 59 o 1.308000       1.438000      ?             ?      
1 1 1 16 36 60 o 0.5475000      1.536000      ?             ?      
1 1 1 16 36 61 o 3.296000       1.482000      ?             ?      
1 1 1 16 37 0  o 4.291000       1.131000      382.2332      180.0  
1 1 1 16 37 1  o 5.056000       0.8240000     187.3930      126.5  
1 1 1 16 37 2  o 3.808000       0.8265000     293.3249      85.5   
1 1 1 16 37 3  o 1.260000       0.8228000     363.6559      147.8  
1 1 1 16 37 4  o 6.379000       0.9106000     291.8928      -163.7 
1 1 1 16 37 5  o 4.435000       0.9751000     335.9307      -28.2  
1 1 1 16 37 6  o 1.272000       0.9577000     99.88097      -75.4  
1 1 1 16 37 7  o 1.763000       0.9926000     270.1910      24.3   
1 1 1 16 37 8  o 1.635000       0.8483000     133.6474      -33.5  
1 1 1 16 37 9  o 1.595000       1.052000      117.7398      95.4   
1 1 1 16 37 10 o 6.787000       1.312000      456.0912      -150.1 
1 1 1 16 37 11 o 4.633000       1.209000      304.3317      111.0  
1 1 1 16 37 12 o -1.196000      0.9710000     106.0176      -62.6  
1 1 1 16 37 13 o 4.090000       0.9996000     298.1440      -13.1  
1 1 1 16 37 14 o 2.461000       0.9680000     311.9401      153.2  
1 1 1 16 37 15 o 0.1128000      0.9575000     168.5871      -109.2 
1 1 1 16 37 16 o 0.5004000      1.122000      286.9064      144.7  
1 1 1 16 37 17 o 2.473000       1.178000      200.7881      49.5   
1 1 1 16 37 18 o 11.75000       1.306000      382.2388      97.3   
1 1 1 16 37 19 o 3.830000       1.235000      249.1441      147.0  
1 1 1 16 37 20 o 5.597000       1.259000      390.4895      -29.9  
1 1 1 16 37 21 o 2.293000       1.060000      261.3969      -64.0  
1 1 1 16 37 22 o 0.9193000E-01  1.062000      9.702354      -6.0   
1 1 1 16 37 23 o 7.931000       1.138000      340.1553      -67.1  
1 1 1 16 37 24 o 1.675000       1.111000      200.8495      67.8   
1 1 1 16 37 25 o 3.131000       1.128000      192.2141      131.3  
1 1 1 16 37 26 o 7.734000       1.358000      348.9743      91.5   
1 1 1 16 37 27 o 1.144000       1.129000      67.43553      107.7  
1 1 1 16 37 28 o 2.490000       1.140000      160.9972      67.7   
1 1 1 16 37 29 o 8.247000       1.352000      345.7200      163.0  
1 1 1 16 37 30 o 6.297000       1.180000      398.8265      -40.9  
1 1 1 16 37 31 o 0.3131000      1.128000      12.52081      -44.8  
1 1 1 16 37 32 o -1.291000      1.178000      84.52754      82.9   
1 1 1 16 37 33 o 0.3204000      0.9802000     178.6649      -149.3 
1 1 1 16 37 34 o 1.483000       1.169000      184.8231      -5.3   
1 1 1 16 37 35 o 3.091000       1.014000      300.0901      117.2  
1 1 1 16 37 36 o -0.1865000     1.032000      165.1527      -122.6 
1 1 1 16 37 37 o 5.915000       1.154000      331.7784      146.1  
1 1 1 16 37 38 o -0.2791000E-01 1.166000      123.7701      23.4   
1 1 1 16 37 39 o 1.375000       1.200000      207.6953      164.3  
1 1 1 16 37 40 o 1.232000       1.190000      ?             ?      
1 1 1 16 37 41 o 1.554000       1.170000      ?             ?      
1 1 1 16 37 42 o -1.581000      1.221000      ?             ?      
1 1 1 16 37 43 o 0.4302000E-01  1.145000      ?             ?      
1 1 1 16 37 44 o 18.56000       1.492000      ?             ?      
1 1 1 16 37 45 o 1.251000       1.142000      ?             ?      
1 1 1 16 37 46 o 1.790000       1.098000      ?             ?      
1 1 1 16 37 47 o 1.035000       1.097000      ?             ?      
1 1 1 16 37 48 o 1.197000       1.252000      ?             ?      
1 1 1 16 37 49 o -0.7199000     1.352000      ?             ?      
1 1 1 16 37 50 o 1.640000       1.242000      ?             ?      
1 1 1 16 37 51 o 0.9644000      1.175000      ?             ?      
1 1 1 16 37 52 o -0.4932000     1.195000      ?             ?      
1 1 1 16 37 53 o 3.296000       1.158000      ?             ?      
1 1 1 16 37 54 o 6.791000       1.231000      ?             ?      
1 1 1 16 37 55 o 0.5180000      1.175000      ?             ?      
1 1 1 16 37 56 o 0.3092000E-01  1.188000      ?             ?      
1 1 1 16 37 57 o -0.4999000     1.189000      ?             ?      
1 1 1 16 37 58 o 0.8266000      1.351000      ?             ?      
1 1 1 16 37 59 o 0.5670000      1.319000      ?             ?      
1 1 1 16 37 60 o -1.175000      1.771000      ?             ?      
1 1 1 16 38 0  o 0.9116000      1.112000      161.6007      0.0    
1 1 1 16 38 1  o 4.962000       0.8318000     309.8354      169.9  
1 1 1 16 38 2  o 2.545000       0.8385000     264.2301      -147.0 
1 1 1 16 38 3  o 7.856000       0.8885000     472.3548      18.2   
1 1 1 16 38 4  o 2.478000       0.9019000     211.1770      99.7   
1 1 1 16 38 5  o 0.7847000      0.9443000     76.58528      66.4   
1 1 1 16 38 6  o 1.670000       0.8897000     209.4181      137.9  
1 1 1 16 38 7  o 1.022000       0.8162000     142.6298      121.5  
1 1 1 16 38 8  o 3.463000       0.8813000     284.3378      -147.1 
1 1 1 16 38 9  o 11.68000       1.048000      453.8361      -7.6   
1 1 1 16 38 10 o 5.957000       1.319000      452.0574      -165.2 
1 1 1 16 38 11 o 2.490000       0.9712000     130.0358      -132.2 
1 1 1 16 38 12 o 7.667000       1.009000      402.3087      99.9   
1 1 1 16 38 13 o 10.08000       1.025000      456.7723      18.0   
1 1 1 16 38 14 o -0.3032000     0.9583000     162.9597      -92.1  
1 1 1 16 38 15 o 6.589000       1.005000      468.3928      -107.1 
1 1 1 16 38 16 o 1.412000       1.178000      229.0187      69.1   
1 1 1 16 38 17 o 11.76000       1.308000      400.1555      -142.4 
1 1 1 16 38 18 o 14.09000       1.374000      505.8853      -171.5 
1 1 1 16 38 19 o 11.77000       1.344000      458.2869      -143.1 
1 1 1 16 38 20 o 4.548000       1.272000      236.9899      -35.1  
1 1 1 16 38 21 o 0.6999000      1.258000      245.7979      7.6    
1 1 1 16 38 22 o 5.342000       1.138000      195.6186      -137.7 
1 1 1 16 38 23 o -1.631000      1.113000      108.2814      134.4  
1 1 1 16 38 24 o 14.10000       1.259000      458.0571      -114.4 
1 1 1 16 38 25 o 2.134000       1.339000      172.3486      -174.9 
1 1 1 16 38 26 o 0.2434000      1.367000      77.28809      -12.8  
1 1 1 16 38 27 o 3.362000       1.191000      352.5533      178.1  
1 1 1 16 38 28 o 8.948000       1.438000      389.3655      -71.8  
1 1 1 16 38 29 o -0.4399000     1.324000      71.72333      4.7    
1 1 1 16 38 30 o 4.493000       1.210000      356.4079      154.1  
1 1 1 16 38 31 o 8.296000       1.262000      387.3437      25.3   
1 1 1 16 38 32 o 5.492000       1.216000      346.0569      -154.6 
1 1 1 16 38 33 o -0.2011000     1.225000      90.53197      -33.4  
1 1 1 16 38 34 o 1.491000       1.060000      193.8686      32.1   
1 1 1 16 38 35 o 5.563000       1.116000      427.7278      -38.3  
1 1 1 16 38 36 o 7.324000       1.159000      346.6671      -179.6 
1 1 1 16 38 37 o -0.4637000     1.138000      159.0358      -178.5 
1 1 1 16 38 38 o -0.7670000     1.034000      81.03300      9.9    
1 1 1 16 38 39 o 2.861000       1.033000      ?             ?      
1 1 1 16 38 40 o 1.128000       1.005000      ?             ?      
1 1 1 16 38 41 o 1.632000       1.133000      ?             ?      
1 1 1 16 38 42 o 2.385000       1.281000      ?             ?      
1 1 1 16 38 43 o 8.985000       1.549000      ?             ?      
1 1 1 16 38 44 o 4.268000       1.335000      ?             ?      
1 1 1 16 38 45 o -0.5272000     1.033000      ?             ?      
1 1 1 16 38 46 o 2.359000       1.076000      ?             ?      
1 1 1 16 38 47 o 1.313000       1.070000      ?             ?      
1 1 1 16 38 48 o 0.8202000      1.070000      ?             ?      
1 1 1 16 38 49 o 1.438000       1.229000      ?             ?      
1 1 1 16 38 50 o -0.2337000     1.339000      ?             ?      
1 1 1 16 38 51 o 2.891000       1.236000      ?             ?      
1 1 1 16 38 52 o 2.293000       1.112000      ?             ?      
1 1 1 16 38 53 o 5.142000       1.161000      ?             ?      
1 1 1 16 38 54 o -0.1101000     1.203000      ?             ?      
1 1 1 16 38 55 o 0.2768000      1.216000      ?             ?      
1 1 1 16 38 56 o -0.9825000     1.138000      ?             ?      
1 1 1 16 38 57 o 0.7742000      1.207000      ?             ?      
1 1 1 16 38 58 o 0.8883000      1.710000      ?             ?      
1 1 1 16 38 59 o 0.3143000      1.299000      ?             ?      
1 1 1 16 39 0  o 0.5563000      1.130000      241.9331      0.0    
1 1 1 16 39 1  o 3.020000       0.8342000     173.1557      75.6   
1 1 1 16 39 2  o 7.522000       0.8699000     462.8493      167.0  
1 1 1 16 39 3  o 3.506000       0.8835000     272.4092      -178.5 
1 1 1 16 39 4  o 0.5046000      0.9381000     133.7825      89.8   
1 1 1 16 39 5  o 15.56000       1.030000      637.8124      -108.9 
1 1 1 16 39 6  o 2.933000       0.8767000     304.2047      -44.1  
1 1 1 16 39 7  o 1.627000       0.8230000     203.3018      41.8   
1 1 1 16 39 8  o 5.570000       0.9014000     369.8183      47.1   
1 1 1 16 39 9  o 4.217000       0.9748000     383.6302      -122.8 
1 1 1 16 39 10 o 9.247000       1.356000      518.8398      162.7  
1 1 1 16 39 11 o 0.2394000      0.9573000     202.4489      22.4   
1 1 1 16 39 12 o 0.7687000      0.9559000     87.86819      -101.9 
1 1 1 16 39 13 o 1.371000       0.9614000     171.0374      -84.9  
1 1 1 16 39 14 o 3.792000       0.9847000     215.0948      162.8  
1 1 1 16 39 15 o 4.679000       1.032000      319.3938      -62.8  
1 1 1 16 39 16 o 4.003000       1.223000      226.1602      -50.0  
1 1 1 16 39 17 o 4.188000       1.263000      315.3639      -93.6  
1 1 1 16 39 18 o -1.829000      1.257000      166.3135      -173.8 
1 1 1 16 39 19 o 4.333000       1.292000      533.1825      -90.2  
1 1 1 16 39 20 o 1.196000       1.269000      100.8266      23.3   
1 1 1 16 39 21 o -0.9498000     1.278000      63.55520      81.9   
1 1 1 16 39 22 o -1.761000      1.291000      132.2373      -108.3 
1 1 1 16 39 23 o 13.40000       1.464000      548.1617      -84.9  
1 1 1 16 39 24 o 17.30000       1.541000      509.3442      158.0  
1 1 1 16 39 25 o 8.095000       1.435000      296.2910      114.8  
1 1 1 16 39 26 o 7.095000       1.292000      325.5297      100.4  
1 1 1 16 39 27 o 2.451000       1.276000      163.7190      -150.5 
1 1 1 16 39 28 o 3.161000       1.461000      210.4773      -125.5 
1 1 1 16 39 29 o 4.073000       1.287000      379.1623      -93.7  
1 1 1 16 39 30 o 5.835000       1.230000      201.4630      1.7    
1 1 1 16 39 31 o 1.253000       1.215000      288.2088      -151.6 
1 1 1 16 39 32 o 1.433000       1.293000      291.8592      69.0   
1 1 1 16 39 33 o 9.461000       1.709000      324.2495      -32.1  
1 1 1 16 39 34 o -1.423000      1.638000      134.6464      18.8   
1 1 1 16 39 35 o 2.664000       1.016000      264.6456      -82.3  
1 1 1 16 39 36 o 5.193000       1.026000      316.1430      64.3   
1 1 1 16 39 37 o 4.934000       1.026000      318.2151      127.2  
1 1 1 16 39 38 o -0.9288000     0.9741000     ?             ?      
1 1 1 16 39 39 o 4.366000       1.034000      ?             ?      
1 1 1 16 39 40 o 2.293000       0.9870000     ?             ?      
1 1 1 16 39 41 o -0.5687000     0.9770000     ?             ?      
1 1 1 16 39 42 o 0.5333000      1.190000      ?             ?      
1 1 1 16 39 43 o 13.07000       1.558000      ?             ?      
1 1 1 16 39 44 o -0.5954000     1.141000      ?             ?      
1 1 1 16 39 45 o 5.101000       1.094000      ?             ?      
1 1 1 16 39 46 o -0.5999000     0.9908000     ?             ?      
1 1 1 16 39 47 o 6.395000       1.048000      ?             ?      
1 1 1 16 39 48 o -0.8391000     1.060000      ?             ?      
1 1 1 16 39 49 o 0.2011000      1.224000      ?             ?      
1 1 1 16 39 50 o -1.030000      1.234000      ?             ?      
1 1 1 16 39 51 o -0.1296000     1.351000      ?             ?      
1 1 1 16 39 52 o 0.4586000      1.221000      ?             ?      
1 1 1 16 39 53 o 1.234000       1.111000      ?             ?      
1 1 1 16 39 54 o -1.103000      1.091000      ?             ?      
1 1 1 16 39 55 o 0.6979000      1.122000      ?             ?      
1 1 1 16 39 56 f 0.2404000      1.195000      ?             ?      
1 1 1 16 39 57 o -0.2697000     1.404000      ?             ?      
1 1 1 16 39 58 o 0.7452000      1.332000      ?             ?      
1 1 1 16 39 59 o 3.403000       2.325000      ?             ?      
1 1 1 16 40 0  o 7.002000       1.193000      316.6347      -180.0 
1 1 1 16 40 1  o 1.717000       0.8470000     228.5641      83.4   
1 1 1 16 40 2  o 8.404000       0.9270000     390.1739      -51.2  
1 1 1 16 40 3  o 3.186000       0.9020000     147.1497      -106.1 
1 1 1 16 40 4  o 3.394000       0.9567000     323.8288      58.0   
1 1 1 16 40 5  o -0.6289000     0.9086000     139.8992      -18.5  
1 1 1 16 40 6  o 1.764000       0.8069000     68.61350      -92.7  
1 1 1 16 40 7  o 4.849000       0.9843000     247.7920      59.0   
1 1 1 16 40 8  o 20.61000       1.281000      738.7083      -72.1  
1 1 1 16 40 9  o 6.738000       0.9686000     413.9740      20.0   
1 1 1 16 40 10 o 1.091000       1.055000      166.1584      178.6  
1 1 1 16 40 11 o 2.857000       0.9873000     347.8776      -20.3  
1 1 1 16 40 12 o 13.25000       1.287000      537.7683      31.6   
1 1 1 16 40 13 o 0.3079000      0.9813000     161.0529      96.6   
1 1 1 16 40 14 o -1.140000      1.005000      95.64506      -35.2  
1 1 1 16 40 15 o 1.274000       1.022000      240.6360      -59.1  
1 1 1 16 40 16 o 8.609000       1.301000      505.2316      -14.4  
1 1 1 16 40 17 o -0.5948000     1.248000      156.5924      -4.6   
1 1 1 16 40 18 o 0.3828000      1.262000      95.53033      -177.1 
1 1 1 16 40 19 o 15.37000       1.408000      479.8676      -163.8 
1 1 1 16 40 20 o 7.092000       1.346000      373.8992      12.1   
1 1 1 16 40 21 f 4.317000       1.352000      397.8534      -19.2  
1 1 1 16 40 22 o 14.23000       1.488000      406.2445      -46.8  
1 1 1 16 40 23 o 12.15000       1.503000      414.7398      -102.5 
1 1 1 16 40 24 o 1.820000       1.855000      199.1462      -87.5  
1 1 1 16 40 25 o 5.528000       1.448000      333.8838      -107.3 
1 1 1 16 40 26 o 0.9504000      1.285000      119.9375      -78.5  
1 1 1 16 40 27 o 2.078000       1.532000      178.3629      -47.1  
1 1 1 16 40 28 o 5.868000       1.491000      470.9206      -45.5  
1 1 1 16 40 29 o 4.467000       1.368000      439.3118      145.4  
1 1 1 16 40 30 o 6.623000       1.457000      468.6230      11.8   
1 1 1 16 40 31 o -0.7136000     1.588000      48.35784      -132.0 
1 1 1 16 40 32 o 6.112000       1.680000      369.1143      170.8  
1 1 1 16 40 33 o 9.032000       1.283000      457.3244      23.6   
1 1 1 16 40 34 o 1.851000       1.225000      294.6353      12.9   
1 1 1 16 40 35 o 8.819000       1.254000      571.0460      -136.9 
1 1 1 16 40 36 f 3.363000       1.272000      ?             ?      
1 1 1 16 40 37 o 0.2652000      0.9473000     ?             ?      
1 1 1 16 40 38 o 1.700000       0.9724000     ?             ?      
1 1 1 16 40 39 o 0.1445000      0.9549000     ?             ?      
1 1 1 16 40 40 o 1.362000       0.9515000     ?             ?      
1 1 1 16 40 41 o 1.000000       0.9901000     ?             ?      
1 1 1 16 40 42 o 0.5020000      1.197000      ?             ?      
1 1 1 16 40 43 o 0.1996000      1.241000      ?             ?      
1 1 1 16 40 44 o 2.309000       1.245000      ?             ?      
1 1 1 16 40 45 o 0.9450000      1.078000      ?             ?      
1 1 1 16 40 46 o 0.6300000      0.9992000     ?             ?      
1 1 1 16 40 47 o 2.489000       1.022000      ?             ?      
1 1 1 16 40 48 o 0.2660000      1.006000      ?             ?      
1 1 1 16 40 49 o 14.55000       1.246000      ?             ?      
1 1 1 16 40 50 o 5.244000       1.265000      ?             ?      
1 1 1 16 40 51 o 0.6945000      1.212000      ?             ?      
1 1 1 16 40 52 o -0.9916000     1.345000      ?             ?      
1 1 1 16 40 53 o -0.3880000     1.223000      ?             ?      
1 1 1 16 40 54 o 2.834000       1.110000      ?             ?      
1 1 1 16 40 55 o -0.3711000     1.120000      ?             ?      
1 1 1 16 40 56 o 4.702000       1.287000      ?             ?      
1 1 1 16 40 57 o 0.5232000      1.380000      ?             ?      
1 1 1 16 40 58 o 1.792000       1.449000      ?             ?      
1 1 1 16 41 0  o 1.586000       1.189000      70.28827      -0.0   
1 1 1 16 41 1  o 7.291000       0.9195000     430.2203      108.2  
1 1 1 16 41 2  o 12.90000       1.046000      472.9494      87.2   
1 1 1 16 41 3  o 1.887000       0.9831000     120.3702      68.1   
1 1 1 16 41 4  o 1.620000       0.9126000     64.87218      -158.8 
1 1 1 16 41 5  o 3.509000       0.9121000     178.9477      -144.1 
1 1 1 16 41 6  o 13.45000       0.8938000     651.0533      61.5   
1 1 1 16 41 7  o 3.399000       0.8482000     190.6784      125.7  
1 1 1 16 41 8  o 7.350000       0.9319000     309.8017      141.3  
1 1 1 16 41 9  o 1.229000       0.9077000     219.3283      125.4  
1 1 1 16 41 10 o 38.00000       1.692000      909.3342      118.8  
1 1 1 16 41 11 o 1.247000       1.008000      199.8282      143.0  
1 1 1 16 41 12 o 5.390000       1.038000      332.8166      -168.0 
1 1 1 16 41 13 o -1.017000      1.011000      81.94302      60.7   
1 1 1 16 41 14 o 6.626000       1.085000      361.7466      75.4   
1 1 1 16 41 15 o 2.267000       1.078000      241.1759      -110.8 
1 1 1 16 41 16 o 8.247000       1.313000      370.5352      127.9  
1 1 1 16 41 17 o 3.557000       1.292000      224.3735      -128.5 
1 1 1 16 41 18 o 12.94000       1.378000      422.4580      -126.0 
1 1 1 16 41 19 o 1.666000       1.289000      201.9804      -0.9   
1 1 1 16 41 20 o 0.8269000      1.297000      76.03482      58.2   
1 1 1 16 41 21 o 3.854000       1.449000      399.5826      -119.1 
1 1 1 16 41 22 o -1.985000      1.468000      165.5301      146.7  
1 1 1 16 41 23 o 3.688000       1.938000      195.4083      -113.7 
1 1 1 16 41 24 o 8.674000       2.066000      410.2525      166.6  
1 1 1 16 41 25 o 8.125000       1.660000      332.5769      125.0  
1 1 1 16 41 26 f -1.529000      1.522000      171.5762      -8.5   
1 1 1 16 41 27 o 3.232000       1.641000      262.4473      -155.8 
1 1 1 16 41 28 o 1.978000       1.629000      117.6747      73.3   
1 1 1 16 41 29 o 4.111000       1.632000      191.0130      13.1   
1 1 1 16 41 30 o 7.850000       1.327000      453.1898      -87.1  
1 1 1 16 41 31 o 0.1799000      1.254000      70.60303      -62.2  
1 1 1 16 41 32 o 4.589000       1.272000      360.3636      90.4   
1 1 1 16 41 33 o 14.24000       1.794000      516.5125      -111.2 
1 1 1 16 41 34 o -0.9656000     1.173000      208.0488      9.0    
1 1 1 16 41 35 o 1.827000       1.190000      ?             ?      
1 1 1 16 41 36 o -0.5655000     1.160000      ?             ?      
1 1 1 16 41 37 o 4.797000       1.237000      ?             ?      
1 1 1 16 41 38 o 1.020000       0.9300000     ?             ?      
1 1 1 16 41 39 o 1.683000       0.9404000     ?             ?      
1 1 1 16 41 40 o 2.298000       0.9589000     ?             ?      
1 1 1 16 41 41 o 0.4705000      0.9457000     ?             ?      
1 1 1 16 41 42 o 0.1789000      1.038000      ?             ?      
1 1 1 16 41 43 o 3.440000       1.128000      ?             ?      
1 1 1 16 41 44 o 2.278000       1.152000      ?             ?      
1 1 1 16 41 45 o -0.2278000     1.146000      ?             ?      
1 1 1 16 41 46 o 0.9200000      1.066000      ?             ?      
1 1 1 16 41 47 o 2.419000       1.015000      ?             ?      
1 1 1 16 41 48 o 0.3074000      0.9967000     ?             ?      
1 1 1 16 41 49 o 1.778000       1.014000      ?             ?      
1 1 1 16 41 50 o 0.8166000      0.9996000     ?             ?      
1 1 1 16 41 51 o 0.8686000      1.214000      ?             ?      
1 1 1 16 41 52 o 0.3587000      1.219000      ?             ?      
1 1 1 16 41 53 o 1.099000       1.360000      ?             ?      
1 1 1 16 41 54 o -0.4503000     1.229000      ?             ?      
1 1 1 16 41 55 o 2.980000       1.181000      ?             ?      
1 1 1 16 41 56 o 1.194000       1.363000      ?             ?      
1 1 1 16 41 57 o 3.580000       1.302000      ?             ?      
1 1 1 16 42 0  o 2.333000       1.261000      67.53043      -0.0   
1 1 1 16 42 1  o 0.5201000      0.9734000     67.68500      98.5   
1 1 1 16 42 2  o 10.63000       1.033000      411.9506      -151.4 
1 1 1 16 42 3  o 10.60000       1.072000      463.4812      -134.9 
1 1 1 16 42 4  o 2.023000       0.9275000     265.9466      1.1    
1 1 1 16 42 5  o 5.544000       0.8584000     406.6193      133.1  
1 1 1 16 42 6  o 0.4034000      0.8057000     119.8359      -19.7  
1 1 1 16 42 7  o 0.4207000      0.8334000     131.0097      -102.5 
1 1 1 16 42 8  o 1.983000       0.8716000     287.5595      -84.9  
1 1 1 16 42 9  o -0.1022000     0.9137000     70.69503      140.8  
1 1 1 16 42 10 o 14.72000       1.374000      413.7495      -57.2  
1 1 1 16 42 11 o 0.6738000      1.020000      156.8422      49.9   
1 1 1 16 42 12 o 3.716000       1.061000      215.1130      128.8  
1 1 1 16 42 13 o 3.008000       1.065000      288.5049      60.2   
1 1 1 16 42 14 o -0.9843000     1.068000      264.4163      -137.6 
1 1 1 16 42 15 o 3.504000       1.090000      322.8053      175.0  
1 1 1 16 42 16 o 6.368000       1.330000      346.2977      3.3    
1 1 1 16 42 17 o 3.142000       1.321000      221.4721      122.2  
1 1 1 16 42 18 o -0.1752000     1.326000      236.2347      -29.3  
1 1 1 16 42 19 o 0.8967000      1.383000      90.37668      -42.7  
1 1 1 16 42 20 o 6.766000       1.461000      278.7861      65.5   
1 1 1 16 42 21 o 17.85000       1.665000      539.6890      -81.1  
1 1 1 16 42 22 o 11.48000       1.649000      457.6470      -36.1  
1 1 1 16 42 23 o 11.61000       2.187000      497.4442      -104.8 
1 1 1 16 42 24 o -3.086000      2.240000      156.7234      -53.8  
1 1 1 16 42 25 o 1.325000       1.694000      160.3505      -115.6 
1 1 1 16 42 26 o 1.795000       2.306000      151.0559      -80.2  
1 1 1 16 42 27 o 2.682000       1.529000      279.5352      91.4   
1 1 1 16 42 28 o 1.040000       1.341000      155.0523      -122.4 
1 1 1 16 42 29 o 3.787000       1.370000      332.0668      46.7   
1 1 1 16 42 30 o 1.919000       1.305000      259.5937      21.6   
1 1 1 16 42 31 o 1.582000       1.291000      235.0974      150.0  
1 1 1 16 42 32 o -0.5549000     1.261000      68.47142      -170.9 
1 1 1 16 42 33 o 2.539000       1.219000      ?             ?      
1 1 1 16 42 34 o 4.100000       1.190000      ?             ?      
1 1 1 16 42 35 o 0.8236000      1.152000      ?             ?      
1 1 1 16 42 36 o -0.9019000     1.152000      ?             ?      
1 1 1 16 42 37 o -0.3419000     1.139000      ?             ?      
1 1 1 16 42 38 o 0.2125000      1.122000      ?             ?      
1 1 1 16 42 39 o 0.7077000      0.9281000     ?             ?      
1 1 1 16 42 40 o 0.1127000      0.9170000     ?             ?      
1 1 1 16 42 41 o -0.5099000     1.001000      ?             ?      
1 1 1 16 42 42 o -0.5087000     0.9781000     ?             ?      
1 1 1 16 42 43 o 4.602000       0.9881000     ?             ?      
1 1 1 16 42 44 o 5.347000       1.072000      ?             ?      
1 1 1 16 42 45 o 0.5081000      1.099000      ?             ?      
1 1 1 16 42 46 o 0.5145000      1.132000      ?             ?      
1 1 1 16 42 47 o -1.398000      1.051000      ?             ?      
1 1 1 16 42 48 o 1.657000       0.9965000     ?             ?      
1 1 1 16 42 49 o 1.434000       1.006000      ?             ?      
1 1 1 16 42 50 o 1.327000       0.9902000     ?             ?      
1 1 1 16 42 51 o 2.779000       1.107000      ?             ?      
1 1 1 16 42 52 o -0.3172000     1.221000      ?             ?      
1 1 1 16 42 53 o 2.480000       1.274000      ?             ?      
1 1 1 16 42 54 o 3.582000       1.399000      ?             ?      
1 1 1 16 42 55 o 0.2951000      1.369000      ?             ?      
1 1 1 16 42 56 o 0.5622000      1.322000      ?             ?      
1 1 1 16 43 0  o -1.634000      1.296000      134.4445      0.0    
1 1 1 16 43 1  o 7.283000       1.038000      486.9553      88.4   
1 1 1 16 43 2  o 5.962000       1.067000      346.3108      20.6   
1 1 1 16 43 3  o -0.4802000     0.9689000     53.29099      -138.2 
1 1 1 16 43 4  o 1.181000       0.8714000     237.5810      25.3   
1 1 1 16 43 5  o 2.410000       0.8459000     168.7114      145.1  
1 1 1 16 43 6  o -1.124000      0.8661000     167.4885      -89.1  
1 1 1 16 43 7  o 11.86000       1.179000      419.4437      123.2  
1 1 1 16 43 8  o 14.63000       1.112000      511.7186      129.0  
1 1 1 16 43 9  o 1.384000       0.8676000     148.2467      6.4    
1 1 1 16 43 10 o 0.2316000      1.038000      184.2668      -65.9  
1 1 1 16 43 11 o 8.249000       1.111000      512.9169      154.1  
1 1 1 16 43 12 o 0.9311000      1.086000      234.2747      -158.3 
1 1 1 16 43 13 o 3.503000       1.145000      368.5424      -44.0  
1 1 1 16 43 14 o 18.94000       1.504000      543.6114      -179.0 
1 1 1 16 43 15 o 2.677000       1.302000      231.3992      -112.5 
1 1 1 16 43 16 o 6.639000       1.358000      214.0490      93.2   
1 1 1 16 43 17 o 4.723000       1.374000      212.2528      -176.4 
1 1 1 16 43 18 o 0.9393000E-01  1.442000      142.0685      29.8   
1 1 1 16 43 19 o 2.144000       1.497000      266.3532      52.6   
1 1 1 16 43 20 o 10.50000       1.573000      542.1744      -130.0 
1 1 1 16 43 21 o 0.9809000      1.603000      239.4277      -36.9  
1 1 1 16 43 22 o 8.143000       2.241000      483.6202      22.7   
1 1 1 16 43 23 o 8.353000       2.216000      345.2372      -156.0 
1 1 1 16 43 24 o 14.44000       1.741000      386.9447      -178.5 
1 1 1 16 43 25 o -0.6686000     1.632000      79.95317      26.8   
1 1 1 16 43 26 o -2.162000      2.283000      75.99392      -59.6  
1 1 1 16 43 27 o 1.525000       1.620000      228.2116      78.9   
1 1 1 16 43 28 o -0.3638000     1.283000      8.218191      51.0   
1 1 1 16 43 29 o 11.08000       1.417000      521.9628      -69.1  
1 1 1 16 43 30 o 1.380000       1.293000      153.7148      -110.3 
1 1 1 16 43 31 o 2.563000       1.501000      ?             ?      
1 1 1 16 43 32 o 3.104000       1.268000      ?             ?      
1 1 1 16 43 33 o 0.1778000      1.251000      ?             ?      
1 1 1 16 43 34 o 2.314000       1.209000      ?             ?      
1 1 1 16 43 35 o 1.783000       1.184000      ?             ?      
1 1 1 16 43 36 o 0.7020000      1.138000      ?             ?      
1 1 1 16 43 37 o 3.559000       1.172000      ?             ?      
1 1 1 16 43 38 o -0.3910000     1.132000      ?             ?      
1 1 1 16 43 39 o 1.422000       1.234000      ?             ?      
1 1 1 16 43 40 o 1.693000       1.301000      ?             ?      
1 1 1 16 43 41 o 2.012000       0.9856000     ?             ?      
1 1 1 16 43 42 o 0.9162000      0.9285000     ?             ?      
1 1 1 16 43 43 o -0.9906000     0.8919000     ?             ?      
1 1 1 16 43 44 o -0.2173000     0.9059000     ?             ?      
1 1 1 16 43 45 o -0.1741000     1.006000      ?             ?      
1 1 1 16 43 46 o 1.294000       1.121000      ?             ?      
1 1 1 16 43 47 o 0.1786000      1.025000      ?             ?      
1 1 1 16 43 48 o 0.4233000      1.048000      ?             ?      
1 1 1 16 43 49 o 0.9479000      0.9830000     ?             ?      
1 1 1 16 43 50 o 1.442000       1.095000      ?             ?      
1 1 1 16 43 51 o -0.2984000     1.102000      ?             ?      
1 1 1 16 43 52 o 1.655000       1.102000      ?             ?      
1 1 1 16 43 53 o 0.7035000E-01  1.115000      ?             ?      
1 1 1 16 43 54 o 0.5057000      1.262000      ?             ?      
1 1 1 16 43 55 o 2.439000       1.866000      ?             ?      
1 1 1 16 44 0  o -0.1095000     1.450000      82.11794      180.0  
1 1 1 16 44 1  o 0.3367000      0.9804000     39.36386      28.5   
1 1 1 16 44 2  o 7.731000       1.077000      398.9204      -160.1 
1 1 1 16 44 3  o 3.385000       0.9843000     284.8895      83.0   
1 1 1 16 44 4  o 6.225000       0.8923000     455.8896      -42.2  
1 1 1 16 44 5  o 3.290000       0.8718000     334.9751      102.2  
1 1 1 16 44 6  o 14.50000       1.229000      416.6779      -147.3 
1 1 1 16 44 7  o -1.073000      0.9274000     23.70102      -159.4 
1 1 1 16 44 8  o 3.327000       0.8817000     358.3139      85.4   
1 1 1 16 44 9  o 4.351000       0.8998000     400.9348      9.4    
1 1 1 16 44 10 o 2.315000       1.072000      173.6754      -60.4  
1 1 1 16 44 11 o 9.647000       1.404000      380.3849      -5.8   
1 1 1 16 44 12 o 5.906000       1.363000      323.4139      -99.4  
1 1 1 16 44 13 o 4.159000       1.141000      414.5664      4.9    
1 1 1 16 44 14 o 0.7837000      1.141000      236.4562      140.3  
1 1 1 16 44 15 o 2.218000       1.133000      63.89621      -29.2  
1 1 1 16 44 16 o 3.171000       1.457000      188.5550      141.7  
1 1 1 16 44 17 o 1.001000       1.462000      136.3245      -176.8 
1 1 1 16 44 18 o 7.568000       1.633000      371.7056      10.8   
1 1 1 16 44 19 o 2.601000       1.659000      202.2815      100.7  
1 1 1 16 44 20 o 2.899000       1.620000      353.7698      79.3   
1 1 1 16 44 21 o 10.10000       1.684000      472.1604      -48.3  
1 1 1 16 44 22 o -1.337000      2.018000      178.3642      -16.2  
1 1 1 16 44 23 o 3.425000       1.671000      359.9078      -139.9 
1 1 1 16 44 24 o 0.1832000      1.627000      163.1901      135.1  
1 1 1 16 44 25 o -0.8581000     2.336000      230.6582      39.9   
1 1 1 16 44 26 o 4.469000       2.289000      215.2265      -148.0 
1 1 1 16 44 27 o 2.942000       1.617000      163.9278      32.8   
1 1 1 16 44 28 o 3.958000       1.665000      286.5628      -2.2   
1 1 1 16 44 29 o 13.60000       1.777000      ?             ?      
1 1 1 16 44 30 f 3.663000       1.309000      ?             ?      
1 1 1 16 44 31 o 0.6235000      1.257000      ?             ?      
1 1 1 16 44 32 o 1.535000       1.241000      ?             ?      
1 1 1 16 44 33 o 0.6998000      1.226000      ?             ?      
1 1 1 16 44 34 o 1.524000       1.237000      ?             ?      
1 1 1 16 44 35 o 5.754000       1.232000      ?             ?      
1 1 1 16 44 36 o 1.327000       1.189000      ?             ?      
1 1 1 16 44 37 o -0.2856000E-01 1.173000      ?             ?      
1 1 1 16 44 38 o 1.239000       1.156000      ?             ?      
1 1 1 16 44 39 o 2.866000       1.271000      ?             ?      
1 1 1 16 44 40 o 2.192000       1.161000      ?             ?      
1 1 1 16 44 41 o 0.5424000E-01  1.292000      ?             ?      
1 1 1 16 44 42 o 1.321000       0.9179000     ?             ?      
1 1 1 16 44 43 o 1.071000       0.8829000     ?             ?      
1 1 1 16 44 44 o -1.075000      0.8797000     ?             ?      
1 1 1 16 44 45 o -0.2972000     0.9643000     ?             ?      
1 1 1 16 44 46 o 2.352000       1.086000      ?             ?      
1 1 1 16 44 47 o -0.8892000     1.090000      ?             ?      
1 1 1 16 44 48 o 0.2385000      1.016000      ?             ?      
1 1 1 16 44 49 o 0.4526000      1.188000      ?             ?      
1 1 1 16 44 50 o 0.8646000      1.081000      ?             ?      
1 1 1 16 44 51 o -0.3707000     1.093000      ?             ?      
1 1 1 16 44 52 o 0.6983000      1.109000      ?             ?      
1 1 1 16 44 53 o 0.3279000      1.153000      ?             ?      
1 1 1 16 44 54 o -0.6132000     1.959000      ?             ?      
1 1 1 16 45 0  o 7.126000       1.547000      436.7409      -0.0   
1 1 1 16 45 1  o 0.5270000      1.066000      198.0613      92.1   
1 1 1 16 45 2  o 0.6319000      1.006000      244.1076      20.6   
1 1 1 16 45 3  o -1.025000      0.9204000     163.0809      -151.5 
1 1 1 16 45 4  o 3.327000       0.8903000     320.8858      -134.7 
1 1 1 16 45 5  o 0.8714000      0.9231000     101.9627      -146.0 
1 1 1 16 45 6  o 0.5788000      0.9352000     174.2552      -161.2 
1 1 1 16 45 7  o 7.132000       1.006000      421.9543      126.2  
1 1 1 16 45 8  o 0.6804000E-01  0.8675000     107.7564      -150.9 
1 1 1 16 45 9  o 2.831000       0.9578000     270.1090      -1.9   
1 1 1 16 45 10 o 1.470000       1.335000      367.8165      76.7   
1 1 1 16 45 11 o -1.017000      1.096000      88.09535      166.4  
1 1 1 16 45 12 o 3.432000       1.156000      318.1612      -31.1  
1 1 1 16 45 13 o 2.521000       1.233000      164.0558      -125.6 
1 1 1 16 45 14 o 3.511000       1.263000      386.5803      149.2  
1 1 1 16 45 15 o 2.284000       1.197000      276.7561      -68.8  
1 1 1 16 45 16 o 0.3753000E-01  1.453000      80.45851      -28.8  
1 1 1 16 45 17 o 4.295000       1.719000      327.0201      155.5  
1 1 1 16 45 18 o 4.306000       1.534000      225.5878      51.1   
1 1 1 16 45 19 o -0.7253000     1.528000      88.85981      -112.6 
1 1 1 16 45 20 o 1.912000       1.548000      161.7009      -67.9  
1 1 1 16 45 21 o 1.865000       1.998000      148.2154      44.6   
1 1 1 16 45 22 o 1.114000       2.000000      207.7409      4.5    
1 1 1 16 45 23 o 5.028000       1.596000      295.1891      -148.4 
1 1 1 16 45 24 o 3.111000       1.621000      124.1301      160.4  
1 1 1 16 45 25 o 12.82000       2.430000      396.2868      17.0   
1 1 1 16 45 26 o 6.642000       1.618000      316.8369      63.1   
1 1 1 16 45 27 o 3.442000       1.610000      ?             ?      
1 1 1 16 45 28 o 6.231000       1.644000      ?             ?      
1 1 1 16 45 29 o 0.6277000      1.588000      ?             ?      
1 1 1 16 45 30 o 1.748000       1.596000      ?             ?      
1 1 1 16 45 31 o 4.142000       1.270000      ?             ?      
1 1 1 16 45 32 o 3.468000       1.301000      ?             ?      
1 1 1 16 45 33 o 3.674000       1.251000      ?             ?      
1 1 1 16 45 34 o -0.7666000     1.210000      ?             ?      
1 1 1 16 45 35 o 0.9717000      1.194000      ?             ?      
1 1 1 16 45 36 o 2.387000       1.235000      ?             ?      
1 1 1 16 45 37 o -2.328000      1.163000      ?             ?      
1 1 1 16 45 38 o 1.748000       1.307000      ?             ?      
1 1 1 16 45 39 o 1.418000       1.313000      ?             ?      
1 1 1 16 45 40 o 4.596000       1.226000      ?             ?      
1 1 1 16 45 41 o 2.297000       1.313000      ?             ?      
1 1 1 16 45 42 f 0.5865000E-01  1.128000      ?             ?      
1 1 1 16 45 43 o 0.7425000      1.151000      ?             ?      
1 1 1 16 45 44 o 0.3928000      0.8690000     ?             ?      
1 1 1 16 45 45 o 0.3957000      0.9141000     ?             ?      
1 1 1 16 45 46 o 0.7957000      0.9785000     ?             ?      
1 1 1 16 45 47 o 0.3339000      1.212000      ?             ?      
1 1 1 16 45 48 o 0.1372000      1.229000      ?             ?      
1 1 1 16 45 49 o 1.692000       1.420000      ?             ?      
1 1 1 16 45 50 o -1.162000      1.057000      ?             ?      
1 1 1 16 45 51 o -0.5710000     1.087000      ?             ?      
1 1 1 16 45 52 o 0.1418000      1.097000      ?             ?      
1 1 1 16 45 53 o 0.4563000      1.403000      ?             ?      
1 1 1 16 46 0  o 1.385000       1.554000      1.984731      -0.0   
1 1 1 16 46 1  o 4.093000       1.369000      330.1481      46.0   
1 1 1 16 46 2  o 4.666000       1.047000      349.3442      -77.3  
1 1 1 16 46 3  o 0.2666000      0.9231000     159.4584      48.6   
1 1 1 16 46 4  o 7.977000       0.9371000     509.1136      -55.3  
1 1 1 16 46 5  o 2.835000       0.9497000     135.0125      39.2   
1 1 1 16 46 6  o 3.444000       0.9747000     308.6459      -152.1 
1 1 1 16 46 7  o 0.7769000      1.040000      102.3601      68.1   
1 1 1 16 46 8  o 8.037000       0.9954000     394.6839      96.8   
1 1 1 16 46 9  o 4.383000       0.9305000     282.2720      -16.8  
1 1 1 16 46 10 o -1.371000      1.217000      61.45411      165.4  
1 1 1 16 46 11 o 2.230000       1.249000      232.2979      -29.2  
1 1 1 16 46 12 o 1.336000       1.149000      36.18884      -116.3 
1 1 1 16 46 13 o 2.609000       1.154000      183.2487      -0.6   
1 1 1 16 46 14 o -1.044000      1.232000      83.84996      167.4  
1 1 1 16 46 15 o -0.4834000     1.465000      90.39458      -59.0  
1 1 1 16 46 16 o 2.584000       1.475000      128.8784      -174.1 
1 1 1 16 46 17 o 5.536000       1.571000      215.1326      125.7  
1 1 1 16 46 18 o -1.264000      1.529000      162.5832      68.6   
1 1 1 16 46 19 o 3.895000       1.586000      345.8444      142.7  
1 1 1 16 46 20 o 2.460000       1.997000      106.0543      118.0  
1 1 1 16 46 21 o -1.013000      1.954000      205.0292      57.9   
1 1 1 16 46 22 o 6.324000       1.644000      417.4529      77.4   
1 1 1 16 46 23 o 0.1982000      1.549000      149.1364      129.5  
1 1 1 16 46 24 o 5.270000       2.260000      250.0364      51.0   
1 1 1 16 46 25 o 3.303000       2.269000      ?             ?      
1 1 1 16 46 26 o 1.510000       1.554000      ?             ?      
1 1 1 16 46 27 o 0.7119000E-01  1.533000      ?             ?      
1 1 1 16 46 28 o -0.9354000E-01 1.538000      ?             ?      
1 1 1 16 46 29 o 8.334000       1.593000      ?             ?      
1 1 1 16 46 30 o 2.310000       1.557000      ?             ?      
1 1 1 16 46 31 o 1.703000       1.522000      ?             ?      
1 1 1 16 46 32 o -1.643000      1.217000      ?             ?      
1 1 1 16 46 33 o -0.1932000     1.224000      ?             ?      
1 1 1 16 46 34 o -0.3729000     1.195000      ?             ?      
1 1 1 16 46 35 o 1.057000       1.205000      ?             ?      
1 1 1 16 46 36 o 0.3835000      1.189000      ?             ?      
1 1 1 16 46 37 o -0.1844000     1.201000      ?             ?      
1 1 1 16 46 38 o 1.973000       1.225000      ?             ?      
1 1 1 16 46 39 o 0.4304000      1.192000      ?             ?      
1 1 1 16 46 40 f 0.6593000      1.312000      ?             ?      
1 1 1 16 46 41 o 0.5831000      1.298000      ?             ?      
1 1 1 16 46 42 o 0.3012000      1.145000      ?             ?      
1 1 1 16 46 43 o 0.4814000      1.137000      ?             ?      
1 1 1 16 46 44 o -0.6965000     1.192000      ?             ?      
1 1 1 16 46 45 o -0.7984000E-01 0.8954000     ?             ?      
1 1 1 16 46 46 o 0.8012000      0.9926000     ?             ?      
1 1 1 16 46 47 o -0.7406000     1.057000      ?             ?      
1 1 1 16 46 48 o 0.4466000      1.438000      ?             ?      
1 1 1 16 46 49 o 1.543000       1.237000      ?             ?      
1 1 1 16 46 50 o -0.3858000     1.199000      ?             ?      
1 1 1 16 46 51 o 0.3770000      1.074000      ?             ?      
1 1 1 16 46 52 o -0.4928000     1.832000      ?             ?      
1 1 1 16 47 0  o 1.846000       1.912000      188.9218      -0.0   
1 1 1 16 47 1  o 6.612000       1.700000      338.2760      84.6   
1 1 1 16 47 2  o -1.195000      0.9401000     93.98769      -115.1 
1 1 1 16 47 3  o -0.1181000     0.9079000     161.1190      -70.0  
1 1 1 16 47 4  o -2.664000      1.030000      81.85846      122.3  
1 1 1 16 47 5  o 0.9341000      1.074000      234.3620      30.7   
1 1 1 16 47 6  o 1.544000       0.9666000     123.5283      -95.3  
1 1 1 16 47 7  o 5.768000       1.030000      342.2848      119.2  
1 1 1 16 47 8  o 0.5273000      0.9704000     66.44393      -96.4  
1 1 1 16 47 9  o 4.566000       0.9338000     290.8438      102.5  
1 1 1 16 47 10 o 2.962000       1.155000      250.9145      93.3   
1 1 1 16 47 11 o 1.341000       1.162000      233.3524      -33.8  
1 1 1 16 47 12 o -2.315000      1.161000      146.3869      18.6   
1 1 1 16 47 13 o 0.4946000      1.128000      186.8525      171.1  
1 1 1 16 47 14 o 1.433000       1.179000      102.8608      98.4   
1 1 1 16 47 15 o 15.03000       1.668000      492.7156      -89.7  
1 1 1 16 47 16 o 2.332000       1.520000      140.0129      -157.4 
1 1 1 16 47 17 o -3.955000      1.507000      102.3578      -117.4 
1 1 1 16 47 18 o 6.636000       1.572000      343.5285      -87.5  
1 1 1 16 47 19 o -0.9817000     1.527000      42.60637      -52.6  
1 1 1 16 47 20 o 5.082000       2.003000      264.6778      160.7  
1 1 1 16 47 21 o 11.96000       2.210000      495.7170      170.9  
1 1 1 16 47 22 o -0.3305000     1.582000      ?             ?      
1 1 1 16 47 23 o 0.7201000      1.559000      ?             ?      
1 1 1 16 47 24 o 0.1725000      2.146000      ?             ?      
1 1 1 16 47 25 o -0.4129000     1.531000      ?             ?      
1 1 1 16 47 26 o 0.9941000      1.516000      ?             ?      
1 1 1 16 47 27 o -0.7756000     1.501000      ?             ?      
1 1 1 16 47 28 o -1.230000      1.497000      ?             ?      
1 1 1 16 47 29 o 0.2206000      1.510000      ?             ?      
1 1 1 16 47 30 o -0.3367000     1.508000      ?             ?      
1 1 1 16 47 31 o 3.300000       1.521000      ?             ?      
1 1 1 16 47 32 o 2.074000       1.513000      ?             ?      
1 1 1 16 47 33 o 0.3290000E-01  1.507000      ?             ?      
1 1 1 16 47 34 o 1.738000       1.195000      ?             ?      
1 1 1 16 47 35 o 1.177000       1.263000      ?             ?      
1 1 1 16 47 36 o 2.157000       1.209000      ?             ?      
1 1 1 16 47 37 o 0.5905000      1.342000      ?             ?      
1 1 1 16 47 38 o -0.4222000     1.331000      ?             ?      
1 1 1 16 47 39 o -0.2706000     1.258000      ?             ?      
1 1 1 16 47 40 o -0.4429000     1.312000      ?             ?      
1 1 1 16 47 41 o -0.3172000     1.155000      ?             ?      
1 1 1 16 47 42 o -1.510000      1.155000      ?             ?      
1 1 1 16 47 43 o 0.7723000      1.164000      ?             ?      
1 1 1 16 47 44 o -0.3334000E-01 1.165000      ?             ?      
1 1 1 16 47 45 o 0.3829000      1.156000      ?             ?      
1 1 1 16 47 46 o -0.5588000E-01 1.259000      ?             ?      
1 1 1 16 47 47 o -0.6280000E-01 0.9907000     ?             ?      
1 1 1 16 47 48 o -0.4216000     1.069000      ?             ?      
1 1 1 16 47 49 o -1.027000      1.197000      ?             ?      
1 1 1 16 47 50 o 0.5413000E-01  1.235000      ?             ?      
1 1 1 16 48 0  o 0.1591000      1.923000      54.00136      0.0    
1 1 1 16 48 1  o 3.284000       1.761000      243.5042      18.0   
1 1 1 16 48 2  o 1.237000       1.120000      87.45210      -111.3 
1 1 1 16 48 3  o 5.323000       0.9609000     301.4024      53.4   
1 1 1 16 48 4  o 1.651000       1.110000      150.9258      -35.8  
1 1 1 16 48 5  o 1.130000       1.152000      184.0937      -142.5 
1 1 1 16 48 6  o 0.7930000      0.9334000     168.6583      -134.1 
1 1 1 16 48 7  o 0.1704000      1.005000      81.41833      75.2   
1 1 1 16 48 8  o 5.107000       1.036000      289.6067      152.6  
1 1 1 16 48 9  o -0.5605000E-02 0.9002000     157.8469      55.8   
1 1 1 16 48 10 o 3.416000       1.125000      197.3884      171.7  
1 1 1 16 48 11 o 0.9571000      1.124000      136.7354      -144.6 
1 1 1 16 48 12 o 0.8933000      1.132000      112.2956      126.8  
1 1 1 16 48 13 o 0.7508000      1.117000      176.0055      -53.7  
1 1 1 16 48 14 o 0.7107000      1.156000      130.2686      -28.2  
1 1 1 16 48 15 o -3.353000      2.632000      61.03093      -56.5  
1 1 1 16 48 16 o 1.673000       1.510000      144.3071      30.4   
1 1 1 16 48 17 o 2.191000       1.478000      160.9084      167.9  
1 1 1 16 48 18 o 1.135000       1.496000      132.5454      -164.9 
1 1 1 16 48 19 o 2.325000       1.941000      ?             ?      
1 1 1 16 48 20 o 0.4397000      1.961000      ?             ?      
1 1 1 16 48 21 o 8.103000       1.627000      ?             ?      
1 1 1 16 48 22 o 1.338000       1.523000      ?             ?      
1 1 1 16 48 23 o 2.376000       2.168000      ?             ?      
1 1 1 16 48 24 o 4.298000       2.192000      ?             ?      
1 1 1 16 48 25 o 3.313000       1.517000      ?             ?      
1 1 1 16 48 26 o 1.797000       1.497000      ?             ?      
1 1 1 16 48 27 o 2.836000       1.489000      ?             ?      
1 1 1 16 48 28 o -0.6377000     1.478000      ?             ?      
1 1 1 16 48 29 o 0.5331000      1.502000      ?             ?      
1 1 1 16 48 30 o 1.649000       1.471000      ?             ?      
1 1 1 16 48 31 o -0.5619000     1.492000      ?             ?      
1 1 1 16 48 32 o 0.3591000      1.530000      ?             ?      
1 1 1 16 48 33 o -1.703000      1.547000      ?             ?      
1 1 1 16 48 34 o -1.715000      1.548000      ?             ?      
1 1 1 16 48 35 o 0.7170000      1.169000      ?             ?      
1 1 1 16 48 36 o 0.5413000      1.344000      ?             ?      
1 1 1 16 48 37 o 1.055000       1.355000      ?             ?      
1 1 1 16 48 38 o 0.8034000      1.202000      ?             ?      
1 1 1 16 48 39 o -1.110000      1.337000      ?             ?      
1 1 1 16 48 40 o 0.8688000      1.333000      ?             ?      
1 1 1 16 48 41 o -0.2497000     1.197000      ?             ?      
1 1 1 16 48 42 o 1.249000       1.198000      ?             ?      
1 1 1 16 48 43 o 0.4710000E-01  1.199000      ?             ?      
1 1 1 16 48 44 o 1.903000       1.226000      ?             ?      
1 1 1 16 48 45 o -0.3190000     1.177000      ?             ?      
1 1 1 16 48 46 o 1.615000       1.171000      ?             ?      
1 1 1 16 48 47 o 0.8881000E-01  1.277000      ?             ?      
1 1 1 16 48 48 o 1.774000       1.297000      ?             ?      
1 1 1 16 48 49 o 0.5722000      1.072000      ?             ?      
1 1 1 16 49 0  o -0.2883000     1.777000      76.78159      180.0  
1 1 1 16 49 1  o 9.700000       1.691000      327.3115      53.7   
1 1 1 16 49 2  o 5.566000       1.560000      214.4842      -131.2 
1 1 1 16 49 3  o 3.626000       1.078000      246.3911      -133.1 
1 1 1 16 49 4  o -0.6365000     1.167000      79.27158      96.5   
1 1 1 16 49 5  o 0.8294000      1.178000      161.0178      84.7   
1 1 1 16 49 6  o 0.3487000      0.9349000     174.2473      -130.7 
1 1 1 16 49 7  o 0.9953000      0.9056000     163.5693      142.0  
1 1 1 16 49 8  o 1.742000       1.044000      94.81989      -94.0  
1 1 1 16 49 9  o -0.8189000E-02 0.9000000     68.20969      -75.1  
1 1 1 16 49 10 o 1.964000       1.108000      160.1978      99.7   
1 1 1 16 49 11 o 0.3700000      1.101000      34.20730      48.5   
1 1 1 16 49 12 o 2.715000       1.127000      56.41920      33.2   
1 1 1 16 49 13 o 0.1358000      1.131000      88.54888      -133.5 
1 1 1 16 49 14 o -0.8092000     1.397000      90.43991      114.6  
1 1 1 16 49 15 o 0.9937000      1.459000      ?             ?      
1 1 1 16 49 16 o -1.851000      1.435000      ?             ?      
1 1 1 16 49 17 o 0.5962000      1.465000      ?             ?      
1 1 1 16 49 18 o 0.5720000      1.448000      ?             ?      
1 1 1 16 49 19 o 3.084000       1.956000      ?             ?      
1 1 1 16 49 20 o 7.284000       2.075000      ?             ?      
1 1 1 16 49 21 o 0.8835000      1.479000      ?             ?      
1 1 1 16 49 22 o -1.801000      1.468000      ?             ?      
1 1 1 16 49 23 o 0.3664000      2.069000      ?             ?      
1 1 1 16 49 24 o 2.079000       1.498000      ?             ?      
1 1 1 16 49 25 o 1.287000       1.473000      ?             ?      
1 1 1 16 49 26 o -0.4930000     1.460000      ?             ?      
1 1 1 16 49 27 o 2.500000       1.475000      ?             ?      
1 1 1 16 49 28 o 0.3038000      1.495000      ?             ?      
1 1 1 16 49 29 o -1.807000      1.474000      ?             ?      
1 1 1 16 49 30 o 2.374000       1.543000      ?             ?      
1 1 1 16 49 31 o 1.422000       1.527000      ?             ?      
1 1 1 16 49 32 o -0.6957000     1.517000      ?             ?      
1 1 1 16 49 33 o 0.3506000      1.525000      ?             ?      
1 1 1 16 49 34 o 0.7404000      1.556000      ?             ?      
1 1 1 16 49 35 o -1.775000      1.557000      ?             ?      
1 1 1 16 49 36 o -1.528000      2.063000      ?             ?      
1 1 1 16 49 37 o -2.297000      1.210000      ?             ?      
1 1 1 16 49 38 o 1.043000       1.419000      ?             ?      
1 1 1 16 49 39 o -0.5824000     1.371000      ?             ?      
1 1 1 16 49 40 o 0.1510000      1.197000      ?             ?      
1 1 1 16 49 41 o 1.405000       1.184000      ?             ?      
1 1 1 16 49 42 o 0.5070000      1.168000      ?             ?      
1 1 1 16 49 43 o -0.9217000     1.210000      ?             ?      
1 1 1 16 49 44 o 0.6014000      1.216000      ?             ?      
1 1 1 16 49 45 o -0.2872000     1.187000      ?             ?      
1 1 1 16 49 46 o 0.1267000      1.242000      ?             ?      
1 1 1 16 49 47 f 1.073000       2.129000      ?             ?      
1 1 1 16 49 48 o -0.5679000     1.670000      ?             ?      
1 1 1 16 50 0  o 4.596000       1.634000      310.9315      180.0  
1 1 1 16 50 1  o 0.9042000      1.348000      33.16468      -90.7  
1 1 1 16 50 2  o 2.452000       1.112000      225.6283      -8.7   
1 1 1 16 50 3  o 2.207000       1.038000      90.16586      -25.0  
1 1 1 16 50 4  o 9.212000       1.197000      378.9890      -107.4 
1 1 1 16 50 5  o 0.3004000      1.187000      88.77011      73.0   
1 1 1 16 50 6  o 0.1238000      1.012000      91.49869      82.1   
1 1 1 16 50 7  o 2.802000       0.9000000     189.5393      63.6   
1 1 1 16 50 8  o 0.1395000E-01  0.8582000     90.60564      -154.0 
1 1 1 16 50 9  o 0.5211000      0.8693000     ?             ?      
1 1 1 16 50 10 o -1.487000      1.082000      ?             ?      
1 1 1 16 50 11 o 0.4049000      1.102000      ?             ?      
1 1 1 16 50 12 o 1.529000       1.114000      ?             ?      
1 1 1 16 50 13 o -0.9567000     1.110000      ?             ?      
1 1 1 16 50 14 o 0.5591000      1.382000      ?             ?      
1 1 1 16 50 15 o -0.4421000     1.446000      ?             ?      
1 1 1 16 50 16 o -0.1572000     1.407000      ?             ?      
1 1 1 16 50 17 o -0.7658000     1.411000      ?             ?      
1 1 1 16 50 18 o 1.856000       1.879000      ?             ?      
1 1 1 16 50 19 o 2.023000       1.878000      ?             ?      
1 1 1 16 50 20 o 1.271000       1.448000      ?             ?      
1 1 1 16 50 21 o 0.5528000      1.434000      ?             ?      
1 1 1 16 50 22 o 0.2246000      2.023000      ?             ?      
1 1 1 16 50 23 o 1.115000       2.021000      ?             ?      
1 1 1 16 50 24 o -0.6188000     1.431000      ?             ?      
1 1 1 16 50 25 o 4.256000       1.491000      ?             ?      
1 1 1 16 50 26 o 2.884000       1.453000      ?             ?      
1 1 1 16 50 27 o -1.833000      1.443000      ?             ?      
1 1 1 16 50 28 o 0.3702000      1.479000      ?             ?      
1 1 1 16 50 29 o 1.045000       1.498000      ?             ?      
1 1 1 16 50 30 o 2.132000       1.561000      ?             ?      
1 1 1 16 50 31 o 4.065000       1.580000      ?             ?      
1 1 1 16 50 32 o 2.290000       1.551000      ?             ?      
1 1 1 16 50 33 o 0.8110000      1.557000      ?             ?      
1 1 1 16 50 34 o 1.724000       1.581000      ?             ?      
1 1 1 16 50 35 o 1.808000       2.160000      ?             ?      
1 1 1 16 50 36 o 1.153000       2.175000      ?             ?      
1 1 1 16 50 37 o -0.8874000     1.552000      ?             ?      
1 1 1 16 50 38 o 1.652000       0.8865000     ?             ?      
1 1 1 16 50 39 o -1.220000      1.376000      ?             ?      
1 1 1 16 50 40 o -1.204000      1.251000      ?             ?      
1 1 1 16 50 41 o 0.1858000      1.203000      ?             ?      
1 1 1 16 50 42 o -0.7927000     1.191000      ?             ?      
1 1 1 16 50 43 o 0.4268000      1.209000      ?             ?      
1 1 1 16 50 44 o 1.159000       1.180000      ?             ?      
1 1 1 16 50 45 o -2.831000      1.425000      ?             ?      
1 1 1 16 50 46 o -0.3349000     1.237000      ?             ?      
1 1 1 16 50 47 < 0.000000       -1.000000     ?             ?      
1 1 1 16 51 0  o 1.688000       1.535000      ?             ?      
1 1 1 16 51 1  o 0.7993000      1.223000      ?             ?      
1 1 1 16 51 2  o 6.129000       1.224000      ?             ?      
1 1 1 16 51 3  o 0.6333000      1.079000      ?             ?      
1 1 1 16 51 4  o 2.448000       1.043000      ?             ?      
1 1 1 16 51 5  o -0.1631000     0.9391000     ?             ?      
1 1 1 16 51 6  o 3.187000       0.9235000     ?             ?      
1 1 1 16 51 7  o -0.2045000     0.8636000     ?             ?      
1 1 1 16 51 8  o -0.1085000     0.8975000     ?             ?      
1 1 1 16 51 9  o 0.7655000      0.9051000     ?             ?      
1 1 1 16 51 10 o 0.6233000      1.088000      ?             ?      
1 1 1 16 51 11 o -0.9850000     1.070000      ?             ?      
1 1 1 16 51 12 o 0.7920000      1.105000      ?             ?      
1 1 1 16 51 13 o 0.4460000      1.089000      ?             ?      
1 1 1 16 51 14 o 1.100000       1.372000      ?             ?      
1 1 1 16 51 15 o -1.897000      1.426000      ?             ?      
1 1 1 16 51 16 o 0.6484000      1.389000      ?             ?      
1 1 1 16 51 17 o -1.198000      1.361000      ?             ?      
1 1 1 16 51 18 o 0.1251000      1.818000      ?             ?      
1 1 1 16 51 19 o 3.471000       1.875000      ?             ?      
1 1 1 16 51 20 o 0.3898000      1.401000      ?             ?      
1 1 1 16 51 21 o -0.6687000     1.406000      ?             ?      
1 1 1 16 51 22 o -0.8633000     1.956000      ?             ?      
1 1 1 16 51 23 o -1.448000      1.959000      ?             ?      
1 1 1 16 51 24 o 0.5794000      1.439000      ?             ?      
1 1 1 16 51 25 o -0.3233000     1.439000      ?             ?      
1 1 1 16 51 26 o -1.144000      1.459000      ?             ?      
1 1 1 16 51 27 o -1.002000      1.466000      ?             ?      
1 1 1 16 51 28 o -1.305000      1.450000      ?             ?      
1 1 1 16 51 29 o 1.259000       1.586000      ?             ?      
1 1 1 16 51 30 o 0.9125000      1.551000      ?             ?      
1 1 1 16 51 31 o -0.9209000     1.489000      ?             ?      
1 1 1 16 51 32 o 0.7209000      1.613000      ?             ?      
1 1 1 16 51 33 o -0.7882000     1.627000      ?             ?      
1 1 1 16 51 34 o 2.251000       1.623000      ?             ?      
1 1 1 16 51 35 o -0.1598000     2.052000      ?             ?      
1 1 1 16 51 36 o -1.429000      1.522000      ?             ?      
1 1 1 16 51 37 o -0.5311000     2.170000      ?             ?      
1 1 1 16 51 38 o 2.717000       2.186000      ?             ?      
1 1 1 16 51 39 o 0.2933000      1.569000      ?             ?      
1 1 1 16 51 40 o -0.6771000     1.217000      ?             ?      
1 1 1 16 51 41 o 1.494000       1.233000      ?             ?      
1 1 1 16 51 42 o 0.4459000      1.281000      ?             ?      
1 1 1 16 51 43 o -1.162000      1.209000      ?             ?      
1 1 1 16 51 44 o 1.162000       1.218000      ?             ?      
1 1 1 16 51 45 o -0.5016000E-01 1.630000      ?             ?      
1 1 1 16 52 0  o 0.3772000      1.267000      ?             ?      
1 1 1 16 52 1  o 0.9219000      1.257000      ?             ?      
1 1 1 16 52 2  o -1.853000      1.200000      ?             ?      
1 1 1 16 52 3  o 3.154000       1.208000      ?             ?      
1 1 1 16 52 4  o 2.639000       1.009000      ?             ?      
1 1 1 16 52 5  o 0.6906000      0.9284000     ?             ?      
1 1 1 16 52 6  o 1.728000       0.8645000     ?             ?      
1 1 1 16 52 7  o 0.4338000      0.8322000     ?             ?      
1 1 1 16 52 8  o 0.9847000      0.8469000     ?             ?      
1 1 1 16 52 9  o 0.3058000      0.8670000     ?             ?      
1 1 1 16 52 10 o 1.415000       1.059000      ?             ?      
1 1 1 16 52 11 o 0.5834000      1.071000      ?             ?      
1 1 1 16 52 12 o 0.5247000      1.075000      ?             ?      
1 1 1 16 52 13 o 0.5588000      1.092000      ?             ?      
1 1 1 16 52 14 o 2.408000       1.350000      ?             ?      
1 1 1 16 52 15 o 0.1888000      1.385000      ?             ?      
1 1 1 16 52 16 o 0.3544000      1.340000      ?             ?      
1 1 1 16 52 17 o 0.5582000      1.789000      ?             ?      
1 1 1 16 52 18 o 3.364000       1.855000      ?             ?      
1 1 1 16 52 19 o 0.7976000      1.361000      ?             ?      
1 1 1 16 52 20 o -0.5512000     1.368000      ?             ?      
1 1 1 16 52 21 o 1.295000       1.976000      ?             ?      
1 1 1 16 52 22 o 1.061000       2.006000      ?             ?      
1 1 1 16 52 23 o 2.426000       1.439000      ?             ?      
1 1 1 16 52 24 o -0.5805000     1.460000      ?             ?      
1 1 1 16 52 25 o 2.736000       1.461000      ?             ?      
1 1 1 16 52 26 o -0.8506000     1.532000      ?             ?      
1 1 1 16 52 27 o -0.4859000     1.554000      ?             ?      
1 1 1 16 52 28 o -1.189000      1.539000      ?             ?      
1 1 1 16 52 29 o 0.3208000      1.571000      ?             ?      
1 1 1 16 52 30 o -0.5929000     1.567000      ?             ?      
1 1 1 16 52 31 o 0.3980000      1.588000      ?             ?      
1 1 1 16 52 32 o 0.2604000      1.607000      ?             ?      
1 1 1 16 52 33 o -0.1357000     1.634000      ?             ?      
1 1 1 16 52 34 o -1.701000      2.111000      ?             ?      
1 1 1 16 52 35 o 0.8698000      2.160000      ?             ?      
1 1 1 16 52 36 o -3.604000      1.644000      ?             ?      
1 1 1 16 52 37 o -0.2345000     2.243000      ?             ?      
1 1 1 16 52 38 o 1.401000       2.281000      ?             ?      
1 1 1 16 52 39 o -0.5341000     1.706000      ?             ?      
1 1 1 16 52 40 o -0.7382000     1.592000      ?             ?      
1 1 1 16 52 41 o -1.076000      1.207000      ?             ?      
1 1 1 16 52 42 o 1.458000       1.253000      ?             ?      
1 1 1 16 52 43 f 1.548000       1.660000      ?             ?      
1 1 1 16 53 0  o 1.396000       1.226000      ?             ?      
1 1 1 16 53 1  o 1.615000       1.050000      ?             ?      
1 1 1 16 53 2  o -1.524000      1.033000      ?             ?      
1 1 1 16 53 3  o -0.4541000     1.124000      ?             ?      
1 1 1 16 53 4  o -0.2976000     1.204000      ?             ?      
1 1 1 16 53 5  o 0.1125000E-01  0.9336000     ?             ?      
1 1 1 16 53 6  o -1.590000      0.8815000     ?             ?      
1 1 1 16 53 7  o -0.3232000     0.8034000     ?             ?      
1 1 1 16 53 8  o 0.1196000      0.8128000     ?             ?      
1 1 1 16 53 9  o 0.8804000      0.8324000     ?             ?      
1 1 1 16 53 10 o 1.619000       1.199000      ?             ?      
1 1 1 16 53 11 o -0.2548000     1.229000      ?             ?      
1 1 1 16 53 12 o 2.073000       1.255000      ?             ?      
1 1 1 16 53 13 o 0.2727000      1.784000      ?             ?      
1 1 1 16 53 14 o -0.6679000     1.367000      ?             ?      
1 1 1 16 53 15 o 0.4219000      1.330000      ?             ?      
1 1 1 16 53 16 o -0.9691000     1.381000      ?             ?      
1 1 1 16 53 17 o 2.068000       1.815000      ?             ?      
1 1 1 16 53 18 o -1.571000      1.388000      ?             ?      
1 1 1 16 53 19 o -0.8357000     1.376000      ?             ?      
1 1 1 16 53 20 o 0.5572000      1.385000      ?             ?      
1 1 1 16 53 21 o -0.9265000     2.002000      ?             ?      
1 1 1 16 53 22 o -0.7928000     2.013000      ?             ?      
1 1 1 16 53 23 o 0.9756000      1.449000      ?             ?      
1 1 1 16 53 24 o 2.891000       1.446000      ?             ?      
1 1 1 16 53 25 o 0.8369000      1.519000      ?             ?      
1 1 1 16 53 26 o -0.7802000     1.511000      ?             ?      
1 1 1 16 53 27 o -0.8100000     1.539000      ?             ?      
1 1 1 16 53 28 o -1.693000      1.574000      ?             ?      
1 1 1 16 53 29 o -0.7937000     1.558000      ?             ?      
1 1 1 16 53 30 o -0.7478000E-01 1.563000      ?             ?      
1 1 1 16 53 31 o 1.975000       1.606000      ?             ?      
1 1 1 16 53 32 o -1.298000      1.595000      ?             ?      
1 1 1 16 53 33 o -3.644000      2.139000      ?             ?      
1 1 1 16 53 34 o 0.3264000      2.131000      ?             ?      
1 1 1 16 53 35 o -0.2708000     1.658000      ?             ?      
1 1 1 16 53 36 o -0.7784000     2.269000      ?             ?      
1 1 1 16 53 37 o -0.3096000     4.321000      ?             ?      
1 1 1 16 53 38 o 2.846000       1.687000      ?             ?      
1 1 1 16 53 39 o 2.803000       1.691000      ?             ?      
1 1 1 16 53 40 o 2.675000       1.673000      ?             ?      
1 1 1 16 53 41 o 2.247000       1.704000      ?             ?      
1 1 1 16 53 42 o 1.750000       1.701000      ?             ?      
1 1 1 16 54 0  o 0.9460000E-02  1.181000      ?             ?      
1 1 1 16 54 1  o -0.8791000     0.8443000     ?             ?      
1 1 1 16 54 2  o 3.257000       1.120000      ?             ?      
1 1 1 16 54 3  o -0.2704000     1.151000      ?             ?      
1 1 1 16 54 4  o 0.4464000      0.9349000     ?             ?      
1 1 1 16 54 5  o 0.9847000      0.8493000     ?             ?      
1 1 1 16 54 6  o 1.856000       0.8194000     ?             ?      
1 1 1 16 54 7  o 2.451000       0.8053000     ?             ?      
1 1 1 16 54 8  o 1.657000       0.8590000     ?             ?      
1 1 1 16 54 9  f -0.2749000     0.8447000     ?             ?      
1 1 1 16 54 10 o 0.2247000      1.020000      ?             ?      
1 1 1 16 54 11 o 0.6900000      1.025000      ?             ?      
1 1 1 16 54 12 o 0.5799000E-01  1.188000      ?             ?      
1 1 1 16 54 13 o -1.038000      1.701000      ?             ?      
1 1 1 16 54 14 o -1.125000      1.379000      ?             ?      
1 1 1 16 54 15 o -2.932000      1.940000      ?             ?      
1 1 1 16 54 16 o -1.155000      0.8267000     ?             ?      
1 1 1 16 54 17 o -0.7662000     0.8689000     ?             ?      
1 1 1 16 54 18 o 2.238000       1.403000      ?             ?      
1 1 1 16 54 19 o -0.3502000     1.388000      ?             ?      
1 1 1 16 54 20 o 0.3661000      2.017000      ?             ?      
1 1 1 16 54 21 o 2.817000       2.048000      ?             ?      
1 1 1 16 54 22 o 2.043000       1.531000      ?             ?      
1 1 1 16 54 23 o 0.3879000      1.501000      ?             ?      
1 1 1 16 54 24 o -0.1540000     1.523000      ?             ?      
1 1 1 16 54 25 o -0.6867000     1.508000      ?             ?      
1 1 1 16 54 26 o 1.309000       1.518000      ?             ?      
1 1 1 16 54 27 o 0.5316000      1.546000      ?             ?      
1 1 1 16 54 28 o -0.7118000     1.555000      ?             ?      
1 1 1 16 54 29 o -1.014000      2.806000      ?             ?      
1 1 1 16 54 30 o 1.548000       1.573000      ?             ?      
1 1 1 16 54 31 o 1.614000       1.593000      ?             ?      
1 1 1 16 54 32 o 0.7344000      1.599000      ?             ?      
1 1 1 16 54 33 o -0.1635000     2.116000      ?             ?      
1 1 1 16 54 34 o -1.941000      2.165000      ?             ?      
1 1 1 16 54 35 o 0.4859000E-01  1.645000      ?             ?      
1 1 1 16 54 36 o 1.141000       4.311000      ?             ?      
1 1 1 16 54 37 o 1.008000       1.319000      ?             ?      
1 1 1 16 54 38 o 0.4825000      1.655000      ?             ?      
1 1 1 16 54 39 o 0.8951000      1.660000      ?             ?      
1 1 1 16 54 40 o 3.018000       3.139000      ?             ?      
1 1 1 16 55 0  o -2.223000      1.163000      ?             ?      
1 1 1 16 55 1  o 0.5611000      0.8405000     ?             ?      
1 1 1 16 55 2  o 0.1887000      1.033000      ?             ?      
1 1 1 16 55 3  o 1.058000       1.187000      ?             ?      
1 1 1 16 55 4  o 0.1001000      0.9174000     ?             ?      
1 1 1 16 55 5  o 1.140000       0.8068000     ?             ?      
1 1 1 16 55 6  o 0.3971000      0.7969000     ?             ?      
1 1 1 16 55 7  o 0.4812000      0.8004000     ?             ?      
1 1 1 16 55 8  o -2.177000      0.7762000     ?             ?      
1 1 1 16 55 9  o -1.379000      0.7844000     ?             ?      
1 1 1 16 55 10 o 0.2456000      1.033000      ?             ?      
1 1 1 16 55 11 o -0.8114000     1.016000      ?             ?      
1 1 1 16 55 12 o 0.8798000      1.046000      ?             ?      
1 1 1 16 55 13 o 1.022000       1.314000      ?             ?      
1 1 1 16 55 14 o -0.3168000     1.400000      ?             ?      
1 1 1 16 55 15 o 0.6737000      1.797000      ?             ?      
1 1 1 16 55 16 o -2.249000      1.775000      ?             ?      
1 1 1 16 55 17 o -0.1153000     1.825000      ?             ?      
1 1 1 16 55 18 o 0.8974000      2.056000      ?             ?      
1 1 1 16 55 19 o 0.7385000      1.999000      ?             ?      
1 1 1 16 55 20 o 0.6474000      2.040000      ?             ?      
1 1 1 16 55 21 o -3.442000      2.025000      ?             ?      
1 1 1 16 55 22 o 0.2903000      1.492000      ?             ?      
1 1 1 16 55 23 o -2.385000      1.496000      ?             ?      
1 1 1 16 55 24 o 0.8640000      1.529000      ?             ?      
1 1 1 16 55 25 o 2.338000       1.542000      ?             ?      
1 1 1 16 55 26 o 0.6030000      1.550000      ?             ?      
1 1 1 16 55 27 o -1.163000      1.570000      ?             ?      
1 1 1 16 55 28 o -1.120000      1.559000      ?             ?      
1 1 1 16 55 29 o 1.595000       1.575000      ?             ?      
1 1 1 16 55 30 o 0.4236000      1.581000      ?             ?      
1 1 1 16 55 31 o 1.054000       1.617000      ?             ?      
1 1 1 16 55 32 o -0.2431000     2.073000      ?             ?      
1 1 1 16 55 33 o -0.5348000E-02 2.159000      ?             ?      
1 1 1 16 55 34 o -3.041000      1.658000      ?             ?      
1 1 1 16 55 35 o -3.977000      4.242000      ?             ?      
1 1 1 16 55 36 o 2.254000       2.314000      ?             ?      
1 1 1 16 55 37 o 0.3192000E-01  1.644000      ?             ?      
1 1 1 16 55 38 o 0.7744000      3.091000      ?             ?      
1 1 1 16 56 0  o 1.418000       1.176000      ?             ?      
1 1 1 16 56 1  o -0.7592000E-01 0.8219000     ?             ?      
1 1 1 16 56 2  o 2.575000       1.039000      ?             ?      
1 1 1 16 56 3  o 1.350000       1.191000      ?             ?      
1 1 1 16 56 4  o 1.702000       0.9245000     ?             ?      
1 1 1 16 56 5  o -0.8339000     0.8174000     ?             ?      
1 1 1 16 56 6  o 0.7205000      0.7798000     ?             ?      
1 1 1 16 56 7  o 1.467000       0.7737000     ?             ?      
1 1 1 16 56 8  o 0.4353000      0.7644000     ?             ?      
1 1 1 16 56 9  o 0.3643000E-01  1.014000      ?             ?      
1 1 1 16 56 10 o 0.7822000      1.014000      ?             ?      
1 1 1 16 56 11 o -1.060000      1.012000      ?             ?      
1 1 1 16 56 12 o -1.035000      1.006000      ?             ?      
1 1 1 16 56 13 o 0.6336000      1.293000      ?             ?      
1 1 1 16 56 14 o 0.1185000E-01  1.381000      ?             ?      
1 1 1 16 56 15 o -0.3503000     1.760000      ?             ?      
1 1 1 16 56 16 o -1.906000      1.816000      ?             ?      
1 1 1 16 56 17 o -0.2587000E-01 1.376000      ?             ?      
1 1 1 16 56 18 o 0.5273000      1.406000      ?             ?      
1 1 1 16 56 19 o 0.1957000      0.7757000     ?             ?      
1 1 1 16 56 20 o 0.5810000      1.257000      ?             ?      
1 1 1 16 56 21 o -3.651000      1.951000      ?             ?      
1 1 1 16 56 22 o -3.903000      2.091000      ?             ?      
1 1 1 16 56 23 o -0.1508000     2.114000      ?             ?      
1 1 1 16 56 24 o -0.8895000     2.105000      ?             ?      
1 1 1 16 56 25 o 1.003000       2.141000      ?             ?      
1 1 1 16 56 26 o -0.7203000     1.558000      ?             ?      
1 1 1 16 56 27 o 0.9833000      1.601000      ?             ?      
1 1 1 16 56 28 o 2.338000       1.622000      ?             ?      
1 1 1 16 56 29 o -0.6411000     1.574000      ?             ?      
1 1 1 16 56 30 o -0.3561000E-01 1.597000      ?             ?      
1 1 1 16 56 31 o -1.204000      1.604000      ?             ?      
1 1 1 16 56 32 o 0.9017000      2.103000      ?             ?      
1 1 1 16 56 33 o -0.4665000E-01 1.627000      ?             ?      
1 1 1 16 56 34 o 1.341000       1.430000      ?             ?      
1 1 1 16 56 35 o -0.2348000     2.291000      ?             ?      
1 1 1 16 56 36 o 0.2046000      4.366000      ?             ?      
1 1 1 16 57 0  o 0.8539000      1.130000      ?             ?      
1 1 1 16 57 1  o 0.1202000E-01  0.8087000     ?             ?      
1 1 1 16 57 2  o 0.1338000      0.9188000     ?             ?      
1 1 1 16 57 3  o 1.862000       1.102000      ?             ?      
1 1 1 16 57 4  o 0.3318000      1.036000      ?             ?      
1 1 1 16 57 5  o -0.2415000     0.8470000     ?             ?      
1 1 1 16 57 6  o 0.5844000      0.7697000     ?             ?      
1 1 1 16 57 7  o 0.5263000      0.7585000     ?             ?      
1 1 1 16 57 8  o 1.065000       0.7805000     ?             ?      
1 1 1 16 57 9  o -1.488000      1.023000      ?             ?      
1 1 1 16 57 10 o 0.8159000      1.028000      ?             ?      
1 1 1 16 57 11 o 0.2022000      1.010000      ?             ?      
1 1 1 16 57 12 o -0.4193000     1.282000      ?             ?      
1 1 1 16 57 13 o 2.070000       1.367000      ?             ?      
1 1 1 16 57 14 o 0.8575000      1.784000      ?             ?      
1 1 1 16 57 15 o 1.520000       1.773000      ?             ?      
1 1 1 16 57 16 o 0.2149000      1.357000      ?             ?      
1 1 1 16 57 17 o -1.084000      1.350000      ?             ?      
1 1 1 16 57 18 o 1.242000       1.377000      ?             ?      
1 1 1 16 57 19 o 1.516000       2.035000      ?             ?      
1 1 1 16 57 20 o -0.7517000     1.353000      ?             ?      
1 1 1 16 57 21 o -0.5923000     1.480000      ?             ?      
1 1 1 16 57 22 o -2.193000      1.501000      ?             ?      
1 1 1 16 57 23 o 2.404000       2.009000      ?             ?      
1 1 1 16 57 24 o 1.296000       2.002000      ?             ?      
1 1 1 16 57 25 o 1.725000       2.027000      ?             ?      
1 1 1 16 57 26 o -1.686000      1.281000      ?             ?      
1 1 1 16 57 27 o 4.527000       2.237000      ?             ?      
1 1 1 16 57 28 o -1.315000      2.202000      ?             ?      
1 1 1 16 57 29 o 1.269000       2.245000      ?             ?      
1 1 1 16 57 30 o 0.2884000      1.590000      ?             ?      
1 1 1 16 57 31 o 0.7108000      2.142000      ?             ?      
1 1 1 16 57 32 o -2.665000      2.331000      ?             ?      
1 1 1 16 57 33 o -1.919000      2.481000      ?             ?      
1 1 1 16 57 34 o 0.1424000      4.348000      ?             ?      
1 1 1 16 58 0  o 1.394000       1.124000      ?             ?      
1 1 1 16 58 1  o 0.4933000      0.8061000     ?             ?      
1 1 1 16 58 2  o 0.6368000      0.8888000     ?             ?      
1 1 1 16 58 3  o -0.1502000     1.080000      ?             ?      
1 1 1 16 58 4  o 0.6914000      1.043000      ?             ?      
1 1 1 16 58 5  o 1.284000       0.8552000     ?             ?      
1 1 1 16 58 6  o 0.7203000      0.7678000     ?             ?      
1 1 1 16 58 7  f -0.3050000     0.7573000     ?             ?      
1 1 1 16 58 8  o 0.5258000      0.7728000     ?             ?      
1 1 1 16 58 9  o 2.216000       1.034000      ?             ?      
1 1 1 16 58 10 o 0.2461000      1.023000      ?             ?      
1 1 1 16 58 11 o 1.851000       1.048000      ?             ?      
1 1 1 16 58 12 o -0.4421000     1.305000      ?             ?      
1 1 1 16 58 13 o 4.071000       1.449000      ?             ?      
1 1 1 16 58 14 o 0.6983000      1.802000      ?             ?      
1 1 1 16 58 15 o -2.006000      1.756000      ?             ?      
1 1 1 16 58 16 o -0.2834000     1.355000      ?             ?      
1 1 1 16 58 17 o 0.8709000      1.359000      ?             ?      
1 1 1 16 58 18 o 0.8708000      1.398000      ?             ?      
1 1 1 16 58 19 o -0.9780000     2.047000      ?             ?      
1 1 1 16 58 20 o -0.1840000     1.467000      ?             ?      
1 1 1 16 58 21 o -0.5750000     1.479000      ?             ?      
1 1 1 16 58 22 o 0.9255000      1.500000      ?             ?      
1 1 1 16 58 23 o 0.7428000      1.562000      ?             ?      
1 1 1 16 58 24 o 1.677000       1.559000      ?             ?      
1 1 1 16 58 25 o -0.4399000E-01 1.536000      ?             ?      
1 1 1 16 58 26 o 0.1747000      1.534000      ?             ?      
1 1 1 16 58 27 o 3.140000       2.120000      ?             ?      
1 1 1 16 58 28 o 0.3225000      1.332000      ?             ?      
1 1 1 16 58 29 o 2.189000       2.221000      ?             ?      
1 1 1 16 58 30 o -3.974000      2.444000      ?             ?      
1 1 1 16 58 31 < 0.000000       -1.000000     ?             ?      
1 1 1 16 58 32 o 2.293000       2.929000      ?             ?      
1 1 1 16 59 0  o 0.6444000      1.098000      ?             ?      
1 1 1 16 59 1  o -0.4486000     0.8851000     ?             ?      
1 1 1 16 59 2  o -0.1407000     0.9050000     ?             ?      
1 1 1 16 59 3  o 0.1024000      0.9547000     ?             ?      
1 1 1 16 59 4  o 1.263000       1.341000      ?             ?      
1 1 1 16 59 5  o -0.2845000E-01 0.8479000     ?             ?      
1 1 1 16 59 6  o 0.5397000      0.7744000     ?             ?      
1 1 1 16 59 7  o -1.098000      0.7690000     ?             ?      
1 1 1 16 59 8  o -0.7725000     0.7672000     ?             ?      
1 1 1 16 59 9  o -0.8576000     1.045000      ?             ?      
1 1 1 16 59 10 o 0.9725000      1.013000      ?             ?      
1 1 1 16 59 11 o -0.1782000     1.037000      ?             ?      
1 1 1 16 59 12 o 0.5937000      1.308000      ?             ?      
1 1 1 16 59 13 o -0.1914000     1.762000      ?             ?      
1 1 1 16 59 14 o 1.770000       1.799000      ?             ?      
1 1 1 16 59 15 o 1.950000       1.382000      ?             ?      
1 1 1 16 59 16 o 3.124000       1.403000      ?             ?      
1 1 1 16 59 17 o 2.067000       1.388000      ?             ?      
1 1 1 16 59 18 o -0.6271000     2.100000      ?             ?      
1 1 1 16 59 19 o 2.833000       2.114000      ?             ?      
1 1 1 16 59 20 o 1.707000       1.485000      ?             ?      
1 1 1 16 59 21 o -1.918000      1.474000      ?             ?      
1 1 1 16 59 22 o 1.233000       1.494000      ?             ?      
1 1 1 16 59 23 o 0.8292000      1.511000      ?             ?      
1 1 1 16 59 24 o 1.258000       2.808000      ?             ?      
1 1 1 16 59 25 o -0.3521000     1.553000      ?             ?      
1 1 1 16 59 26 o -1.367000      2.209000      ?             ?      
1 1 1 16 59 27 o 3.908000       2.801000      ?             ?      
1 1 1 16 59 28 o -5.759000      4.175000      ?             ?      
1 1 1 16 59 29 o 0.4616000      4.374000      ?             ?      
1 1 1 16 60 0  o -0.2363000     1.118000      ?             ?      
1 1 1 16 60 1  o -0.7833000     0.8890000     ?             ?      
1 1 1 16 60 2  o 1.872000       0.9265000     ?             ?      
1 1 1 16 60 3  o -0.2021000     0.9692000     ?             ?      
1 1 1 16 60 4  o 0.4217000E-01  1.328000      ?             ?      
1 1 1 16 60 5  o 0.4623000E-01  0.9598000     ?             ?      
1 1 1 16 60 6  o 0.4724000E-01  0.8086000     ?             ?      
1 1 1 16 60 7  o -0.2661000     0.7755000     ?             ?      
1 1 1 16 60 8  o -0.3374000     0.7751000     ?             ?      
1 1 1 16 60 9  o -3.150000      1.048000      ?             ?      
1 1 1 16 60 10 o 0.9258000      1.022000      ?             ?      
1 1 1 16 60 11 o 0.2840000      1.032000      ?             ?      
1 1 1 16 60 12 o 0.3112000      1.309000      ?             ?      
1 1 1 16 60 13 o -1.775000      1.203000      ?             ?      
1 1 1 16 60 14 o -0.8462000     1.695000      ?             ?      
1 1 1 16 60 15 o 2.625000       1.368000      ?             ?      
1 1 1 16 60 16 o 0.6551000E-02  1.356000      ?             ?      
1 1 1 16 60 17 o 2.573000       1.473000      ?             ?      
1 1 1 16 60 18 o 3.676000       2.138000      ?             ?      
1 1 1 16 60 19 o 1.470000       2.069000      ?             ?      
1 1 1 16 60 20 o 1.401000       1.503000      ?             ?      
1 1 1 16 60 21 o 1.604000       1.254000      ?             ?      
1 1 1 16 60 22 o -0.4526000     2.100000      ?             ?      
1 1 1 16 60 23 o 2.000000       2.147000      ?             ?      
1 1 1 16 60 24 o 0.4187000E-01  2.198000      ?             ?      
1 1 1 16 60 25 o 3.137000       2.189000      ?             ?      
1 1 1 16 60 26 o -0.5851000     2.424000      ?             ?      
1 1 1 16 60 27 o 1.957000       2.453000      ?             ?      
1 1 1 16 61 0  o 0.3172000      1.140000      ?             ?      
1 1 1 16 61 1  o 0.5172000      0.9096000     ?             ?      
1 1 1 16 61 2  o 1.436000       0.9341000     ?             ?      
1 1 1 16 61 3  o 0.4447000      0.9252000     ?             ?      
1 1 1 16 61 4  o 1.063000       0.9858000     ?             ?      
1 1 1 16 61 5  o 3.212000       0.9925000     ?             ?      
1 1 1 16 61 6  o 0.6773000      0.8885000     ?             ?      
1 1 1 16 61 7  o 1.312000       0.8552000     ?             ?      
1 1 1 16 61 8  o 1.019000       0.8615000     ?             ?      
1 1 1 16 61 9  o 1.945000       1.135000      ?             ?      
1 1 1 16 61 10 o -0.8246000     1.049000      ?             ?      
1 1 1 16 61 11 o 0.1324000      0.9843000     ?             ?      
1 1 1 16 61 12 o -0.2716000     1.359000      ?             ?      
1 1 1 16 61 13 o -0.4280000     1.457000      ?             ?      
1 1 1 16 61 14 o 1.249000       0.8430000     ?             ?      
1 1 1 16 61 15 o 1.341000       1.977000      ?             ?      
1 1 1 16 61 16 o 1.238000       1.981000      ?             ?      
1 1 1 16 61 17 o 1.922000       2.074000      ?             ?      
1 1 1 16 61 18 o -2.758000      2.060000      ?             ?      
1 1 1 16 61 19 o 2.440000       4.071000      ?             ?      
1 1 1 16 61 20 o -1.093000      2.133000      ?             ?      
1 1 1 16 61 21 o 0.9617000      2.151000      ?             ?      
1 1 1 16 61 22 o -2.680000      2.156000      ?             ?      
1 1 1 16 61 23 o 0.8491000      2.122000      ?             ?      
1 1 1 16 61 24 o -1.411000      2.213000      ?             ?      
1 1 1 16 62 0  o 1.337000       1.275000      ?             ?      
1 1 1 16 62 1  o -0.1654000     1.037000      ?             ?      
1 1 1 16 62 2  o 1.247000       1.031000      ?             ?      
1 1 1 16 62 3  o 0.1232000      1.029000      ?             ?      
1 1 1 16 62 4  o -0.1245000     1.081000      ?             ?      
1 1 1 16 62 5  o -0.1898000E-01 1.152000      ?             ?      
1 1 1 16 62 6  o 0.8533000      1.026000      ?             ?      
1 1 1 16 62 7  o 0.9960000E-01  0.8898000     ?             ?      
1 1 1 16 62 8  o -0.2469000     0.9001000     ?             ?      
1 1 1 16 62 9  o 1.851000       1.218000      ?             ?      
1 1 1 16 62 10 o -0.7839000     1.223000      ?             ?      
1 1 1 16 62 11 o 2.277000       1.963000      ?             ?      
1 1 1 16 62 12 o -1.929000      1.331000      ?             ?      
1 1 1 16 62 13 o -1.006000      1.485000      ?             ?      
1 1 1 16 62 14 o -0.4427000E-01 0.8071000     ?             ?      
1 1 1 16 62 15 o -0.3664000     1.987000      ?             ?      
1 1 1 16 62 16 o 2.613000       2.150000      ?             ?      
1 1 1 16 62 17 o 0.6173000      1.311000      ?             ?      
1 1 1 16 62 18 o 2.994000       3.939000      ?             ?      
1 1 1 16 62 19 o 5.389000       4.183000      ?             ?      
1 1 1 16 62 20 o -0.2305000     2.119000      ?             ?      
1 1 1 16 63 0  o -0.2037000     1.280000      ?             ?      
1 1 1 16 63 1  o 0.4279000      1.043000      ?             ?      
1 1 1 16 63 2  f 1.409000       1.175000      ?             ?      
1 1 1 16 63 3  o 0.3276000      1.005000      ?             ?      
1 1 1 16 63 4  f -0.1775000     1.080000      ?             ?      
1 1 1 16 63 5  o 0.3565000E-02  1.163000      ?             ?      
1 1 1 16 63 6  o -1.707000      1.015000      ?             ?      
1 1 1 16 63 7  o 1.184000       0.8818000     ?             ?      
1 1 1 16 63 8  o -0.8189000E-01 1.192000      ?             ?      
1 1 1 16 63 9  o -0.4631000     1.240000      ?             ?      
1 1 1 16 63 10 o 0.1561000      1.247000      ?             ?      
1 1 1 16 63 11 o 2.192000       2.011000      ?             ?      
1 1 1 16 63 12 f 0.3547000      1.520000      ?             ?      
1 1 1 16 63 13 o 0.8210000      0.9051000     ?             ?      
1 1 1 16 63 14 o -0.6678000     1.995000      ?             ?      
1 1 1 16 63 15 o -1.256000      2.018000      ?             ?      
1 1 1 16 63 16 o -1.486000      1.716000      ?             ?      
1 1 1 16 64 0  o -0.9936000     1.336000      ?             ?      
1 1 1 16 64 1  o -1.370000      1.120000      ?             ?      
1 1 1 16 64 2  o 0.1591000      0.9184000     ?             ?      
1 1 1 16 64 3  o -0.5653000     1.239000      ?             ?      
1 1 1 16 64 4  o -0.3286000     1.034000      ?             ?      
1 1 1 16 64 5  o -4.159000      1.540000      ?             ?      
1 1 1 16 64 6  o -1.142000      1.107000      ?             ?      
1 1 1 16 64 7  o 0.5083000      0.9397000     ?             ?      
1 1 1 16 64 8  o 0.4705000      1.999000      ?             ?      
1 1 1 16 64 9  o -3.110000      3.709000      ?             ?      
1 1 1 17 0  1  o -1.310000      0.5756000     168.7492      90.0   
1 1 1 17 0  2  o -0.8671000     0.5900000     136.5368      -180.0 
1 1 1 17 0  3  o -0.4719000     0.5934000     205.3662      90.0   
1 1 1 17 0  4  o -0.8042000     0.5777000     47.24846      -180.0 
1 1 1 17 0  5  o -0.2552000     0.5585000     97.92812      -90.0  
1 1 1 17 0  6  o 0.8556000      0.5809000     115.6242      -180.0 
1 1 1 17 0  7  o -0.7324000     0.6048000     190.5818      -90.0  
1 1 1 17 0  8  o 1.466000       0.6264000     28.81180      180.0  
1 1 1 17 0  9  o -0.8445000     0.6627000     16.06953      90.0   
1 1 1 17 0  10 o -0.8523000     0.6631000     45.13891      0.0    
1 1 1 17 0  11 o 2.423000       0.6945000     15.45360      90.0   
1 1 1 17 0  12 o 0.3293000      0.7287000     63.77048      0.0    
1 1 1 17 0  13 o 0.7046000      0.7632000     135.2179      90.0   
1 1 1 17 0  14 o 0.7356000      0.8052000     295.0039      0.0    
1 1 1 17 0  15 o -0.4000000     0.8592000     140.3630      -90.0  
1 1 1 17 0  16 o 3.529000       0.9297000     22.76128      180.0  
1 1 1 17 0  17 o 1.511000       0.9698000     304.9920      -90.0  
1 1 1 17 0  18 o 2.430000       1.044000      173.8007      -180.0 
1 1 1 17 0  19 o 0.9095000      1.101000      481.1074      90.0   
1 1 1 17 0  20 o -1.183000      1.156000      91.35386      0.0    
1 1 1 17 0  21 o 4.549000       1.277000      263.2721      -90.0  
1 1 1 17 0  22 o 0.4026000      1.334000      28.34897      0.0    
1 1 1 17 0  23 o 2.710000       1.591000      161.3005      90.0   
1 1 1 17 0  24 o 3.923000       2.630000      127.6112      0.0    
1 1 1 17 0  25 o 9.689000       4.092000      107.1961      90.0   
1 1 1 17 0  26 o 8.946000       2.238000      139.5330      0.0    
1 1 1 17 0  27 o 5.324000       2.185000      202.4740      -90.0  
1 1 1 17 0  28 o 6.017000       1.786000      315.2785      180.0  
1 1 1 17 0  29 o 4.780000       1.702000      533.8133      90.0   
1 1 1 17 0  30 o 8.141000       1.571000      551.3649      0.0    
1 1 1 17 0  31 o 1.428000       1.519000      8.650640      -90.0  
1 1 1 17 0  32 o 1.179000       1.488000      195.3501      -180.0 
1 1 1 17 0  33 o -0.3407000     1.491000      174.7918      90.0   
1 1 1 17 0  34 o 5.503000       1.545000      212.9314      -0.0   
1 1 1 17 0  35 o 2.726000       1.448000      98.07356      90.0   
1 1 1 17 0  36 o -3.385000      1.430000      94.23946      -0.0   
1 1 1 17 0  37 o -0.1450000     1.424000      27.54011      90.0   
1 1 1 17 0  38 o -1.001000      1.441000      110.0934      -0.0   
1 1 1 17 0  39 o -2.403000      1.457000      89.53073      90.0   
1 1 1 17 0  40 o -0.1493000E-01 1.495000      122.7119      -0.0   
1 1 1 17 0  41 o 4.678000       1.789000      297.3449      90.0   
1 1 1 17 0  42 o -0.7730000     1.817000      52.99992      180.0  
1 1 1 17 0  43 o 1.511000       1.612000      16.60040      -90.0  
1 1 1 17 0  44 o 0.1100000      2.312000      38.43988      180.0  
1 1 1 17 0  45 o -0.3294000     2.524000      188.5592      -90.0  
1 1 1 17 0  46 o -0.9678000     3.710000      164.8895      0.0    
1 1 1 17 0  47 o 3.278000       2.061000      57.82061      -90.0  
1 1 1 17 0  48 o 0.9000000      2.013000      24.23701      180.0  
1 1 1 17 0  49 o -0.7482000     1.782000      37.31111      90.0   
1 1 1 17 0  50 o 3.327000       2.101000      168.1982      -0.0   
1 1 1 17 0  51 o 0.7706000      2.113000      170.9967      -90.0  
1 1 1 17 0  52 o 3.685000       1.921000      175.5852      -0.0   
1 1 1 17 0  53 f 4.256000       1.961000      180.9797      90.0   
1 1 1 17 0  54 o 1.649000       2.010000      84.20990      180.0  
1 1 1 17 0  55 o -0.7721000     2.024000      5.139470      90.0   
1 1 1 17 0  56 o 2.389000       2.064000      280.0985      -0.0   
1 1 1 17 0  57 o -0.2533000     2.033000      29.00303      -90.0  
1 1 1 17 0  58 o 1.967000       2.058000      ?             ?      
1 1 1 17 0  59 o -2.259000      1.958000      ?             ?      
1 1 1 17 0  60 o -0.3810000E-02 2.187000      ?             ?      
1 1 1 17 0  61 o -2.766000      3.923000      ?             ?      
1 1 1 17 0  62 o -2.840000      3.791000      ?             ?      
1 1 1 17 0  63 o -0.8506000     2.191000      ?             ?      
1 1 1 17 0  64 o -0.6279000     1.849000      ?             ?      
1 1 1 17 0  65 o 1.527000       1.861000      ?             ?      
1 1 1 17 0  66 o -4.451000      1.829000      ?             ?      
1 1 1 17 0  67 o 1.986000       1.856000      ?             ?      
1 1 1 17 0  68 o 2.096000       1.866000      ?             ?      
1 1 1 17 0  69 o 3.449000       1.872000      ?             ?      
1 1 1 17 0  70 o -0.5901000     1.853000      ?             ?      
1 1 1 17 0  71 o 0.7835000      1.909000      ?             ?      
1 1 1 17 0  72 o 0.9683000      1.958000      ?             ?      
1 1 1 17 0  73 o -0.8259000     1.921000      ?             ?      
1 1 1 17 1  0  o -0.4863000     0.5727000     168.7496      -90.0  
1 1 1 17 1  1  o -0.2449000     0.4113000     199.6741      -105.7 
1 1 1 17 1  2  o 0.4503000      0.4275000     103.4432      -64.8  
1 1 1 17 1  3  o 0.4594000      0.4110000     130.0316      133.4  
1 1 1 17 1  4  o 0.5694000      0.4053000     271.7421      -157.7 
1 1 1 17 1  5  o 0.4875000      0.3994000     176.9579      -174.9 
1 1 1 17 1  6  o 1.280000       0.4128000     302.6196      -111.7 
1 1 1 17 1  7  o 3.182000       0.4413000     284.3998      21.4   
1 1 1 17 1  8  o -0.3918000     0.6191000     296.4846      -9.4   
1 1 1 17 1  9  o 2.513000       0.4727000     268.6508      51.8   
1 1 1 17 1  10 o 2.544000       0.5358000     237.2430      -80.1  
1 1 1 17 1  11 o 1.323000       0.4902000     116.1768      -67.7  
1 1 1 17 1  12 o 4.408000       0.5888000     225.2546      -22.0  
1 1 1 17 1  13 o -0.5125000     0.5363000     182.9894      41.2   
1 1 1 17 1  14 o 1.875000       0.5737000     390.3322      -60.1  
1 1 1 17 1  15 o 2.173000       0.6105000     264.5758      -172.5 
1 1 1 17 1  16 o 6.630000       0.6841000     448.1730      92.3   
1 1 1 17 1  17 o 2.417000       0.6915000     479.7576      -46.3  
1 1 1 17 1  18 o 5.391000       0.7617000     377.1003      -112.9 
1 1 1 17 1  19 o 5.764000       0.8110000     81.64483      -90.9  
1 1 1 17 1  20 o 0.9626000      0.8240000     233.1519      90.3   
1 1 1 17 1  21 o 3.842000       0.9033000     312.9277      102.4  
1 1 1 17 1  22 o 1.290000       1.017000      266.2738      172.1  
1 1 1 17 1  23 o -0.6345000     1.259000      111.0322      -121.5 
1 1 1 17 1  24 o 1.398000       1.580000      484.0105      -155.9 
1 1 1 17 1  25 o 7.424000       2.420000      366.3304      -95.6  
1 1 1 17 1  26 o 10.87000       2.283000      189.9786      58.2   
1 1 1 17 1  27 o 4.202000       1.392000      514.8790      -5.9   
1 1 1 17 1  28 o 7.641000       1.263000      448.9948      -167.9 
1 1 1 17 1  29 o 5.522000       1.222000      404.3832      83.0   
1 1 1 17 1  30 o 1.402000       1.129000      74.74181      -90.5  
1 1 1 17 1  31 o 3.572000       1.079000      89.56146      -52.1  
1 1 1 17 1  32 o 5.166000       1.089000      91.32454      -77.3  
1 1 1 17 1  33 o 2.084000       1.077000      140.1337      -69.2  
1 1 1 17 1  34 o 1.042000       1.049000      239.0228      -173.5 
1 1 1 17 1  35 o 1.179000       1.032000      111.3334      40.3   
1 1 1 17 1  36 o 1.056000       1.027000      70.40853      -79.0  
1 1 1 17 1  37 o -0.7436000     1.026000      126.6507      61.5   
1 1 1 17 1  38 o -0.8111000     1.037000      56.47575      -174.0 
1 1 1 17 1  39 o 0.2370000      1.140000      196.8526      -174.2 
1 1 1 17 1  40 o -0.5259000E-02 1.146000      137.2566      150.7  
1 1 1 17 1  41 o -1.076000      1.079000      93.09454      156.3  
1 1 1 17 1  42 o 2.960000       1.206000      283.6559      -95.8  
1 1 1 17 1  43 o 1.789000       1.228000      108.2981      128.5  
1 1 1 17 1  44 o 4.569000       1.966000      289.8904      147.1  
1 1 1 17 1  45 o 2.580000       2.446000      220.1302      -89.1  
1 1 1 17 1  46 o -1.857000      2.203000      131.3997      32.2   
1 1 1 17 1  47 o 0.7180000      1.540000      161.8426      -56.2  
1 1 1 17 1  48 o -0.1847000     1.315000      176.4760      124.3  
1 1 1 17 1  49 o 0.3636000      1.269000      103.9778      28.6   
1 1 1 17 1  50 o 1.374000       1.418000      202.2791      22.2   
1 1 1 17 1  51 o 0.3280000      1.447000      193.9055      70.9   
1 1 1 17 1  52 o 1.494000       1.431000      187.7258      -162.0 
1 1 1 17 1  53 o 2.676000       1.468000      169.3682      -171.9 
1 1 1 17 1  54 o 2.705000       1.426000      240.6752      117.8  
1 1 1 17 1  55 o 1.927000       1.438000      100.3420      -4.6   
1 1 1 17 1  56 o 0.9251000      1.442000      113.2559      -101.3 
1 1 1 17 1  57 o 1.745000       1.432000      159.8073      177.7  
1 1 1 17 1  58 o 2.051000       1.424000      ?             ?      
1 1 1 17 1  59 o 0.9412000E-01  1.363000      ?             ?      
1 1 1 17 1  60 o -1.589000      1.428000      ?             ?      
1 1 1 17 1  61 o 0.9402000      2.178000      ?             ?      
1 1 1 17 1  62 o -0.7986000     2.137000      ?             ?      
1 1 1 17 1  63 o 1.344000       1.457000      ?             ?      
1 1 1 17 1  64 o -1.801000      1.299000      ?             ?      
1 1 1 17 1  65 o 0.3673000      1.294000      ?             ?      
1 1 1 17 1  66 o -1.576000      1.304000      ?             ?      
1 1 1 17 1  67 o 0.1769000E-01  1.295000      ?             ?      
1 1 1 17 1  68 o 0.7855000      1.318000      ?             ?      
1 1 1 17 1  69 o 0.1082000E-01  1.333000      ?             ?      
1 1 1 17 1  70 o 0.8218000      1.324000      ?             ?      
1 1 1 17 1  71 o -0.3350000E-02 1.352000      ?             ?      
1 1 1 17 1  72 o 2.296000       1.378000      ?             ?      
1 1 1 17 1  73 o -0.5369000     1.374000      ?             ?      
1 1 1 17 2  0  o 0.5864000      0.5819000     90.49617      90.0   
1 1 1 17 2  1  o 1.865000       0.4271000     395.1707      119.1  
1 1 1 17 2  2  o 0.5620000      0.4220000     38.32799      105.1  
1 1 1 17 2  3  o -0.2536000     0.4307000     234.3708      -102.3 
1 1 1 17 2  4  o 2.764000       0.4165000     186.7843      -64.7  
1 1 1 17 2  5  o 1.439000       0.4149000     199.6576      97.5   
1 1 1 17 2  6  o 0.7629000      0.4473000     190.5441      51.6   
1 1 1 17 2  7  o 1.599000       0.4754000     239.2800      -105.3 
1 1 1 17 2  8  o 1.990000       0.4533000     183.1937      -36.9  
1 1 1 17 2  9  o 5.683000       0.4925000     397.0045      -157.6 
1 1 1 17 2  10 o 12.31000       0.7657000     749.2720      -9.3   
1 1 1 17 2  11 o 4.222000       0.5207000     317.0382      -15.9  
1 1 1 17 2  12 o 14.85000       0.7668000     582.2181      175.7  
1 1 1 17 2  13 o 5.844000       0.5891000     439.3792      -5.0   
1 1 1 17 2  14 o 3.628000       0.5950000     337.1261      -57.4  
1 1 1 17 2  15 o 1.420000       0.6143000     107.3512      88.8   
1 1 1 17 2  16 o 6.111000       0.6893000     304.5324      -59.6  
1 1 1 17 2  17 o 2.190000       0.7041000     281.9679      83.0   
1 1 1 17 2  18 o 5.122000       0.7723000     464.1486      163.0  
1 1 1 17 2  19 o 6.340000       0.9519000     433.9981      73.6   
1 1 1 17 2  20 o 14.51000       0.9357000     721.8134      -63.1  
1 1 1 17 2  21 o 5.917000       0.9246000     670.8636      -38.0  
1 1 1 17 2  22 o 2.893000       1.037000      127.0622      85.4   
1 1 1 17 2  23 o 22.54000       1.591000      993.9316      2.6    
1 1 1 17 2  24 o 53.64000       2.789000      1342.020      -32.9  
1 1 1 17 2  25 o 19.97000       2.402000      813.4868      -77.0  
1 1 1 17 2  26 o 2.614000       1.657000      163.5258      82.8   
1 1 1 17 2  27 o 16.17000       1.479000      559.9745      -42.8  
1 1 1 17 2  28 o 7.497000       1.384000      477.9601      -139.6 
1 1 1 17 2  29 o 2.799000       1.150000      201.4236      53.7   
1 1 1 17 2  30 o 15.38000       1.202000      479.6064      -28.2  
1 1 1 17 2  31 o 7.871000       1.117000      384.7895      -84.0  
1 1 1 17 2  32 o 6.339000       1.105000      82.95685      -4.3   
1 1 1 17 2  33 o 2.910000       1.060000      327.2226      -56.4  
1 1 1 17 2  34 o 5.774000       1.057000      198.1485      91.1   
1 1 1 17 2  35 o 0.3834000      1.023000      83.52832      90.0   
1 1 1 17 2  36 o 2.132000       1.133000      164.6016      13.2   
1 1 1 17 2  37 o 1.908000       1.130000      106.4512      -165.4 
1 1 1 17 2  38 o 0.4165000      1.040000      122.4771      176.6  
1 1 1 17 2  39 o 1.882000       1.150000      170.8987      -66.6  
1 1 1 17 2  40 o 1.368000       1.161000      10.21497      42.2   
1 1 1 17 2  41 o 0.5486000      1.164000      184.8276      61.9   
1 1 1 17 2  42 o 3.412000       1.105000      240.6131      -68.0  
1 1 1 17 2  43 o 4.533000       1.365000      376.4488      -62.9  
1 1 1 17 2  44 o 0.9436000      1.482000      136.4028      37.6   
1 1 1 17 2  45 o 6.131000       1.833000      303.9050      -59.4  
1 1 1 17 2  46 o 0.3164000      2.077000      101.9297      -90.9  
1 1 1 17 2  47 o 2.834000       1.627000      161.4417      39.5   
1 1 1 17 2  48 o 1.806000       1.352000      137.6855      138.9  
1 1 1 17 2  49 o 0.7728000      1.366000      131.0591      52.4   
1 1 1 17 2  50 o 1.831000       1.304000      220.0904      126.9  
1 1 1 17 2  51 o -0.5325000     1.312000      117.6500      -141.6 
1 1 1 17 2  52 o 0.6471000      1.461000      126.6125      134.7  
1 1 1 17 2  53 o 4.412000       1.540000      360.3067      131.2  
1 1 1 17 2  54 o 1.112000       1.437000      145.7551      14.1   
1 1 1 17 2  55 o -0.9791000     1.523000      112.5536      57.9   
1 1 1 17 2  56 o 2.172000       1.450000      227.1033      -31.0  
1 1 1 17 2  57 o -1.957000      1.420000      71.40414      164.2  
1 1 1 17 2  58 o 2.300000       1.412000      ?             ?      
1 1 1 17 2  59 o 0.5034000E-01  1.456000      ?             ?      
1 1 1 17 2  60 o 4.333000       1.560000      ?             ?      
1 1 1 17 2  61 o 1.007000       2.245000      ?             ?      
1 1 1 17 2  62 o 3.525000       2.265000      ?             ?      
1 1 1 17 2  63 o -0.1464000     1.741000      ?             ?      
1 1 1 17 2  64 o 0.3593000E-01  1.412000      ?             ?      
1 1 1 17 2  65 o 2.348000       1.306000      ?             ?      
1 1 1 17 2  66 o -0.1269000     1.300000      ?             ?      
1 1 1 17 2  67 o 1.869000       1.321000      ?             ?      
1 1 1 17 2  68 o -0.2842000     1.320000      ?             ?      
1 1 1 17 2  69 o -2.801000      1.315000      ?             ?      
1 1 1 17 2  70 o 0.4605000      1.333000      ?             ?      
1 1 1 17 2  71 f -0.1730000     1.357000      ?             ?      
1 1 1 17 2  72 o 0.8832000      1.373000      ?             ?      
1 1 1 17 2  73 o 2.028000       1.386000      ?             ?      
1 1 1 17 3  0  o 19.68000       1.184000      619.5864      -90.0  
1 1 1 17 3  1  o 2.519000       0.4331000     375.6068      -64.6  
1 1 1 17 3  2  o 6.387000       0.4928000     891.1996      70.4   
1 1 1 17 3  3  o 11.78000       0.5822000     449.2233      68.2   
1 1 1 17 3  4  o 2.897000       0.4370000     403.4464      -18.3  
1 1 1 17 3  5  o 3.372000       0.4447000     511.7098      -137.1 
1 1 1 17 3  6  o 5.555000       0.5162000     331.7331      154.8  
1 1 1 17 3  7  o 16.92000       0.5862000     752.5850      -8.8   
1 1 1 17 3  8  o 5.840000       0.4915000     360.1017      63.1   
1 1 1 17 3  9  o 6.377000       0.4955000     781.6817      104.7  
1 1 1 17 3  10 o 63.80000       1.579000      1602.135      -88.9  
1 1 1 17 3  11 o 32.58000       0.9961000     798.9933      -41.1  
1 1 1 17 3  12 o 42.88000       1.466000      1275.076      -24.7  
1 1 1 17 3  13 o 35.39000       1.032000      1122.204      -139.2 
1 1 1 17 3  14 o 0.4996000      0.5826000     116.6303      -49.0  
1 1 1 17 3  15 o 21.90000       0.8219000     829.5989      -13.0  
1 1 1 17 3  16 o 14.29000       0.7708000     411.6033      174.8  
1 1 1 17 3  17 o 65.27000       1.860000      1001.412      -68.2  
1 1 1 17 3  18 o 2.325000       0.7396000     465.9209      151.4  
1 1 1 17 3  19 o 6.184000       0.8147000     355.8417      -80.7  
1 1 1 17 3  20 o 3.583000       0.8571000     367.4297      90.3   
1 1 1 17 3  21 o 48.42000       1.562000      1273.645      13.9   
1 1 1 17 3  22 o 37.12000       1.527000      875.6669      101.0  
1 1 1 17 3  23 o 4.062000       1.273000      202.9681      -36.2  
1 1 1 17 3  24 o 3.956000       1.804000      289.8011      168.2  
1 1 1 17 3  25 o 1.457000       1.496000      167.9496      106.6  
1 1 1 17 3  26 o 27.24000       1.700000      837.6138      152.7  
1 1 1 17 3  27 o 5.639000       1.613000      430.4926      -73.3  
1 1 1 17 3  28 o 11.31000       1.402000      453.0527      -159.3 
1 1 1 17 3  29 o 19.98000       1.275000      681.8585      25.0   
1 1 1 17 3  30 f 2.919000       1.098000      372.7203      -80.6  
1 1 1 17 3  31 o 33.09000       1.363000      766.9380      2.7    
1 1 1 17 3  32 o 2.254000       1.074000      197.7224      8.4    
1 1 1 17 3  33 o 5.886000       1.087000      326.3042      -59.2  
1 1 1 17 3  34 o 4.523000       1.159000      192.3105      -53.4  
1 1 1 17 3  35 o 2.504000       1.132000      327.0786      -115.3 
1 1 1 17 3  36 o 5.975000       1.063000      264.3322      -93.9  
1 1 1 17 3  37 o 13.23000       1.233000      527.8990      -15.7  
1 1 1 17 3  38 o 4.894000       1.078000      386.1653      -85.1  
1 1 1 17 3  39 o 2.204000       1.057000      217.1448      170.2  
1 1 1 17 3  40 o 1.918000       1.164000      310.9929      27.1   
1 1 1 17 3  41 o 2.535000       1.154000      199.1907      109.3  
1 1 1 17 3  42 o 3.784000       1.164000      246.9124      -88.5  
1 1 1 17 3  43 o 2.348000       1.412000      180.1527      -108.6 
1 1 1 17 3  44 o 2.169000       1.705000      173.3924      39.8   
1 1 1 17 3  45 o 2.676000       1.331000      313.5953      64.5   
1 1 1 17 3  46 o 10.41000       1.676000      562.0081      88.5   
1 1 1 17 3  47 o 0.7334000      1.604000      186.5994      160.2  
1 1 1 17 3  48 o 7.314000       1.466000      354.7942      97.1   
1 1 1 17 3  49 o 4.020000       1.368000      255.6521      -135.1 
1 1 1 17 3  50 o -0.6313000     1.303000      38.03896      -133.0 
1 1 1 17 3  51 o 0.4590000E-02  1.407000      147.1613      -120.6 
1 1 1 17 3  52 o 1.221000       1.453000      198.3289      -162.4 
1 1 1 17 3  53 o 7.422000       1.445000      392.2375      154.3  
1 1 1 17 3  54 o 0.2375000      1.436000      189.5387      158.6  
1 1 1 17 3  55 o 4.684000       1.577000      378.2710      -56.5  
1 1 1 17 3  56 o 2.922000       1.461000      368.4152      -109.4 
1 1 1 17 3  57 o 2.522000       1.502000      94.22130      -41.0  
1 1 1 17 3  58 o 2.839000       1.509000      ?             ?      
1 1 1 17 3  59 o 0.3231000      1.460000      ?             ?      
1 1 1 17 3  60 o 0.8457000      1.721000      ?             ?      
1 1 1 17 3  61 o 0.5472000      1.796000      ?             ?      
1 1 1 17 3  62 o 0.4911000      1.488000      ?             ?      
1 1 1 17 3  63 o 2.164000       1.663000      ?             ?      
1 1 1 17 3  64 o -0.3695000     1.415000      ?             ?      
1 1 1 17 3  65 o -0.7154000     1.303000      ?             ?      
1 1 1 17 3  66 o -0.9394000     1.297000      ?             ?      
1 1 1 17 3  67 o 2.206000       1.329000      ?             ?      
1 1 1 17 3  68 o 0.5562000      1.321000      ?             ?      
1 1 1 17 3  69 o 1.538000       1.332000      ?             ?      
1 1 1 17 3  70 o 1.277000       1.346000      ?             ?      
1 1 1 17 3  71 o 2.303000       1.365000      ?             ?      
1 1 1 17 3  72 o -0.5509000     1.373000      ?             ?      
1 1 1 17 3  73 o 1.347000       1.479000      ?             ?      
1 1 1 17 4  0  o 0.2757000      0.5964000     104.4164      -90.0  
1 1 1 17 4  1  o -0.2620000     0.4223000     174.0691      -156.0 
1 1 1 17 4  2  o 8.109000       0.4785000     558.6931      50.5   
1 1 1 17 4  3  o 35.61000       0.8274000     1132.175      133.5  
1 1 1 17 4  4  o 27.87000       0.9738000     1165.725      -143.5 
1 1 1 17 4  5  o 16.53000       0.6102000     639.7308      109.9  
1 1 1 17 4  6  o 16.19000       0.6946000     749.6519      -13.4  
1 1 1 17 4  7  o 29.16000       0.8342000     917.2232      -123.4 
1 1 1 17 4  8  o 7.260000       0.4877000     501.7953      -26.3  
1 1 1 17 4  9  o 1.393000       0.4698000     334.6595      1.9    
1 1 1 17 4  10 o 17.21000       0.6349000     898.2384      85.8   
1 1 1 17 4  11 o 17.11000       0.6917000     902.7101      26.0   
1 1 1 17 4  12 o 9.557000       0.6039000     449.6490      -162.9 
1 1 1 17 4  13 o 32.33000       0.9898000     989.0724      -25.6  
1 1 1 17 4  14 o 14.05000       0.6832000     694.6611      -34.7  
1 1 1 17 4  15 o 24.48000       0.8670000     655.8354      86.4   
1 1 1 17 4  16 o 134.4000       3.087000      1577.157      78.5   
1 1 1 17 4  17 o 38.99000       1.156000      1213.317      178.3  
1 1 1 17 4  18 o 25.82000       0.9810000     595.5807      177.0  
1 1 1 17 4  19 o 7.362000       0.8476000     216.9619      156.9  
1 1 1 17 4  20 o 8.946000       0.9046000     611.7761      57.7   
1 1 1 17 4  21 o 67.30000       1.904000      1296.274      99.7   
1 1 1 17 4  22 o 78.91000       2.582000      1425.467      55.5   
1 1 1 17 4  23 o 34.41000       1.815000      1313.203      -53.5  
1 1 1 17 4  24 o 113.8000       3.373000      1954.380      -21.8  
1 1 1 17 4  25 o 54.39000       1.843000      1311.506      -101.5 
1 1 1 17 4  26 o 39.66000       1.953000      776.3360      69.3   
1 1 1 17 4  27 o 11.10000       1.540000      638.4683      -77.9  
1 1 1 17 4  28 o 5.654000       1.311000      297.4868      81.1   
1 1 1 17 4  29 o 6.400000       1.268000      323.4656      -126.4 
1 1 1 17 4  30 o 4.162000       1.111000      108.4791      21.5   
1 1 1 17 4  31 o 29.89000       1.433000      592.5118      109.8  
1 1 1 17 4  32 o 34.35000       1.494000      1005.584      74.3   
1 1 1 17 4  33 o 37.73000       1.434000      985.6427      -17.8  
1 1 1 17 4  34 o 49.52000       1.987000      969.0175      64.6   
1 1 1 17 4  35 o 8.529000       1.182000      429.4475      9.4    
1 1 1 17 4  36 o -0.6682000E-02 1.026000      209.9864      -25.2  
1 1 1 17 4  37 o 7.615000       1.066000      488.8777      -110.9 
1 1 1 17 4  38 o 8.373000       1.156000      347.0621      79.1   
1 1 1 17 4  39 o 9.760000       1.177000      529.7208      34.6   
1 1 1 17 4  40 o 1.138000       1.054000      154.9242      169.0  
1 1 1 17 4  41 o 1.169000       1.142000      194.0451      83.4   
1 1 1 17 4  42 o 4.014000       1.157000      288.1183      -66.3  
1 1 1 17 4  43 o 7.653000       1.371000      269.3724      -137.8 
1 1 1 17 4  44 o 14.06000       1.474000      629.2885      171.0  
1 1 1 17 4  45 o 22.73000       1.521000      644.8771      -128.0 
1 1 1 17 4  46 o 2.390000       1.372000      198.3292      -69.4  
1 1 1 17 4  47 o 1.672000       1.521000      386.3821      -106.0 
1 1 1 17 4  48 o 4.026000       1.451000      416.7967      144.1  
1 1 1 17 4  49 o 1.014000       1.354000      213.1975      128.5  
1 1 1 17 4  50 o 3.205000       1.288000      213.6156      102.2  
1 1 1 17 4  51 o -1.846000      1.379000      23.50679      -157.9 
1 1 1 17 4  52 o 10.09000       1.497000      340.8049      -171.0 
1 1 1 17 4  53 o 1.895000       1.511000      218.0057      -165.8 
1 1 1 17 4  54 o 4.921000       1.565000      416.8329      -27.1  
1 1 1 17 4  55 o 5.491000       1.480000      374.4123      50.4   
1 1 1 17 4  56 o 0.8186000      1.425000      90.97572      -87.1  
1 1 1 17 4  57 o 2.032000       1.521000      267.2625      -79.6  
1 1 1 17 4  58 o 4.964000       1.521000      ?             ?      
1 1 1 17 4  59 o 0.5502000E-01  1.549000      ?             ?      
1 1 1 17 4  60 o 0.6560000      1.751000      ?             ?      
1 1 1 17 4  61 o 4.295000       1.493000      ?             ?      
1 1 1 17 4  62 o 10.61000       1.558000      ?             ?      
1 1 1 17 4  63 o 0.5980000      1.657000      ?             ?      
1 1 1 17 4  64 o 2.254000       1.697000      ?             ?      
1 1 1 17 4  65 o 3.235000       1.434000      ?             ?      
1 1 1 17 4  66 o 0.2657000      1.295000      ?             ?      
1 1 1 17 4  67 o 0.9905000      1.307000      ?             ?      
1 1 1 17 4  68 o 0.9837000      1.327000      ?             ?      
1 1 1 17 4  69 o 1.503000       1.329000      ?             ?      
1 1 1 17 4  70 o -0.4180000     1.325000      ?             ?      
1 1 1 17 4  71 o 1.394000       1.372000      ?             ?      
1 1 1 17 4  72 o 1.129000       1.396000      ?             ?      
1 1 1 17 4  73 o -3.456000      1.483000      ?             ?      
1 1 1 17 5  0  o 16.99000       0.8032000     803.3240      -90.0  
1 1 1 17 5  1  o 14.29000       0.6613000     802.7870      47.6   
1 1 1 17 5  2  o 6.282000       0.4643000     362.7101      46.9   
1 1 1 17 5  3  o 12.07000       0.6040000     598.0167      -84.9  
1 1 1 17 5  4  o 9.310000       0.5207000     671.1200      35.5   
1 1 1 17 5  5  o 9.725000       0.5270000     211.7438      23.7   
1 1 1 17 5  6  o 32.49000       0.9529000     829.3658      127.2  
1 1 1 17 5  7  o 6.617000       0.4781000     417.0980      37.6   
1 1 1 17 5  8  o 11.10000       0.5437000     483.8174      18.2   
1 1 1 17 5  9  o 4.427000       0.5026000     246.4359      -111.7 
1 1 1 17 5  10 o 105.2000       2.766000      1572.226      -78.3  
1 1 1 17 5  11 o 59.75000       1.331000      1414.957      -73.2  
1 1 1 17 5  12 o 140.3000       3.367000      1592.716      10.7   
1 1 1 17 5  13 o 118.6000       2.733000      1858.707      -160.3 
1 1 1 17 5  14 o 23.47000       1.066000      809.8914      -9.0   
1 1 1 17 5  15 o 236.8000       5.543000      2279.113      -87.0  
1 1 1 17 5  16 o 20.04000       0.8584000     636.2708      -96.1  
1 1 1 17 5  17 o 26.35000       1.212000      720.3571      -82.5  
1 1 1 17 5  18 o 44.96000       1.280000      1070.267      20.1   
1 1 1 17 5  19 o 314.9000       6.342000      2563.422      -120.1 
1 1 1 17 5  20 o 68.96000       1.896000      1433.925      50.3   
1 1 1 17 5  21 o 148.4000       4.120000      1849.783      54.9   
1 1 1 17 5  22 o 63.25000       2.843000      1074.034      151.5  
1 1 1 17 5  23 o 1.911000       1.212000      321.4730      -153.7 
1 1 1 17 5  24 o 1.470000       1.206000      399.4609      99.0   
1 1 1 17 5  25 o 91.23000       2.475000      1338.547      115.9  
1 1 1 17 5  26 o 11.70000       1.421000      377.4014      -64.1  
1 1 1 17 5  27 o 74.87000       2.476000      1396.079      123.6  
1 1 1 17 5  28 o 6.344000       1.369000      494.8859      -149.0 
1 1 1 17 5  29 o 16.51000       1.351000      424.6405      24.0   
1 1 1 17 5  30 o 10.58000       1.198000      229.0017      -107.3 
1 1 1 17 5  31 o 23.97000       1.236000      883.2148      103.5  
1 1 1 17 5  32 o 31.74000       1.437000      1088.939      73.3   
1 1 1 17 5  33 o 28.01000       1.398000      612.9442      -169.0 
1 1 1 17 5  34 o 38.55000       1.417000      915.4218      84.6   
1 1 1 17 5  35 o 11.82000       1.171000      418.2740      -48.6  
1 1 1 17 5  36 o 0.4151000      1.098000      196.9214      -110.9 
1 1 1 17 5  37 o 7.458000       1.056000      491.1656      107.0  
1 1 1 17 5  38 o 7.120000       1.146000      142.1470      -99.4  
1 1 1 17 5  39 o 6.569000       1.162000      394.9761      -9.8   
1 1 1 17 5  40 o 3.002000       1.054000      169.7698      113.5  
1 1 1 17 5  41 o 7.059000       1.092000      344.0092      -90.5  
1 1 1 17 5  42 o 0.9517000      1.209000      307.2128      -119.0 
1 1 1 17 5  43 o 10.84000       1.421000      510.3542      -24.6  
1 1 1 17 5  44 o 3.596000       1.194000      245.8001      46.7   
1 1 1 17 5  45 o 19.90000       1.291000      652.2263      30.9   
1 1 1 17 5  46 o 17.72000       1.396000      576.8548      69.7   
1 1 1 17 5  47 o 4.281000       1.573000      528.3733      -129.9 
1 1 1 17 5  48 o 0.7801000E-01  1.654000      120.5398      45.1   
1 1 1 17 5  49 o 8.400000       1.401000      419.2223      -169.1 
1 1 1 17 5  50 o 0.8872000      1.279000      162.9300      -29.4  
1 1 1 17 5  51 o 5.792000       1.324000      316.7301      -51.3  
1 1 1 17 5  52 o 11.98000       1.427000      473.9532      42.3   
1 1 1 17 5  53 o 12.60000       1.576000      595.4982      165.7  
1 1 1 17 5  54 o 10.14000       1.582000      490.0269      -162.6 
1 1 1 17 5  55 o 25.44000       1.659000      715.8461      -63.3  
1 1 1 17 5  56 o 1.646000       1.527000      178.9666      98.9   
1 1 1 17 5  57 o 5.895000       1.450000      275.8104      -4.4   
1 1 1 17 5  58 o 1.141000       1.479000      ?             ?      
1 1 1 17 5  59 o 2.617000       1.727000      ?             ?      
1 1 1 17 5  60 o 3.632000       1.581000      ?             ?      
1 1 1 17 5  61 o 17.39000       1.555000      ?             ?      
1 1 1 17 5  62 o 3.035000       1.586000      ?             ?      
1 1 1 17 5  63 o 0.6952000      1.564000      ?             ?      
1 1 1 17 5  64 o 0.2497000      1.610000      ?             ?      
1 1 1 17 5  65 o -0.4694000     1.412000      ?             ?      
1 1 1 17 5  66 o -0.7329000     1.302000      ?             ?      
1 1 1 17 5  67 o 1.851000       1.300000      ?             ?      
1 1 1 17 5  68 o -0.3074000     1.311000      ?             ?      
1 1 1 17 5  69 o -2.261000      1.313000      ?             ?      
1 1 1 17 5  70 o 4.268000       1.359000      ?             ?      
1 1 1 17 5  71 o 1.374000       1.358000      ?             ?      
1 1 1 17 5  72 o 0.8224000E-01  1.478000      ?             ?      
1 1 1 17 5  73 o 4.135000       1.764000      ?             ?      
1 1 1 17 6  0  o 4.053000       0.6133000     551.6436      -90.0  
1 1 1 17 6  1  o 23.71000       0.9444000     1027.059      150.6  
1 1 1 17 6  2  o 48.18000       1.005000      830.0012      93.7   
1 1 1 17 6  3  o 26.53000       0.7767000     835.6175      157.4  
1 1 1 17 6  4  o 93.00000       1.805000      1252.517      -158.3 
1 1 1 17 6  5  o 15.29000       0.5899000     613.5927      43.7   
1 1 1 17 6  6  o 170.3000       3.752000      1772.358      75.8   
1 1 1 17 6  7  o 17.43000       0.6023000     341.8017      -168.6 
1 1 1 17 6  8  o 24.04000       0.8747000     674.1071      -82.4  
1 1 1 17 6  9  o 101.9000       2.200000      1805.283      46.3   
1 1 1 17 6  10 o 40.20000       1.190000      1034.998      -38.1  
1 1 1 17 6  11 o 187.5000       3.801000      2051.891      41.7   
1 1 1 17 6  12 o 36.58000       1.185000      569.6730      -80.1  
1 1 1 17 6  13 o 72.37000       1.586000      1141.484      29.8   
1 1 1 17 6  14 o 337.1000       6.379000      2548.074      -9.5   
1 1 1 17 6  15 o 349.1000       6.956000      2391.479      84.0   
1 1 1 17 6  16 o 279.3000       5.622000      2306.175      72.9   
1 1 1 17 6  17 o 152.4000       3.192000      1614.808      170.3  
1 1 1 17 6  18 o 102.2000       2.486000      1670.454      -5.9   
1 1 1 17 6  19 o 238.2000       4.882000      2230.106      117.4  
1 1 1 17 6  20 f 198.2000       5.188000      1966.539      81.1   
1 1 1 17 6  21 o 31.20000       1.459000      1054.495      -165.2 
1 1 1 17 6  22 o 89.16000       2.957000      1514.324      -32.1  
1 1 1 17 6  23 o 5.688000       1.195000      354.6861      -91.1  
1 1 1 17 6  24 o 9.900000       1.115000      523.1465      85.5   
1 1 1 17 6  25 o 32.85000       1.535000      758.1462      -146.0 
1 1 1 17 6  26 o 218.4000       5.978000      2188.045      178.5  
1 1 1 17 6  27 o 46.86000       2.366000      766.0617      -155.1 
1 1 1 17 6  28 o 10.04000       1.420000      347.4668      -62.2  
1 1 1 17 6  29 o 111.6000       3.031000      1251.159      -176.6 
1 1 1 17 6  30 o 11.59000       1.314000      440.8648      121.5  
1 1 1 17 6  31 o 94.85000       2.294000      1593.278      109.3  
1 1 1 17 6  32 o 84.70000       2.117000      1282.687      -46.8  
1 1 1 17 6  33 o 4.123000       1.130000      298.6355      169.2  
1 1 1 17 6  34 o 62.28000       1.890000      1145.675      52.3   
1 1 1 17 6  35 o 3.897000       1.043000      316.8980      -45.0  
1 1 1 17 6  36 o 9.904000       1.185000      446.2255      -65.8  
1 1 1 17 6  37 o 5.589000       1.050000      312.0610      35.3   
1 1 1 17 6  38 o 10.45000       1.081000      678.7765      97.2   
1 1 1 17 6  39 o 1.676000       1.035000      161.8060      -144.0 
1 1 1 17 6  40 o 4.199000       1.051000      344.5323      -111.9 
1 1 1 17 6  41 o 26.09000       1.360000      648.6004      -94.3  
1 1 1 17 6  42 o 9.891000       1.355000      586.7806      132.0  
1 1 1 17 6  43 o 35.58000       1.891000      766.4357      146.5  
1 1 1 17 6  44 o 5.018000       1.197000      215.8524      -115.6 
1 1 1 17 6  45 o 39.60000       1.541000      1011.407      -76.2  
1 1 1 17 6  46 o 8.150000       1.319000      449.9346      48.3   
1 1 1 17 6  47 o 16.14000       1.545000      652.8160      -174.6 
1 1 1 17 6  48 o 6.317000       1.604000      370.8057      -17.4  
1 1 1 17 6  49 o 11.23000       1.544000      432.1755      171.5  
1 1 1 17 6  50 o 32.48000       1.692000      847.2656      93.8   
1 1 1 17 6  51 o 5.639000       1.323000      276.9958      -162.2 
1 1 1 17 6  52 o 5.189000       1.368000      292.8086      -108.5 
1 1 1 17 6  53 o 16.75000       1.506000      519.2674      51.1   
1 1 1 17 6  54 o 6.807000       1.444000      453.1895      -5.7   
1 1 1 17 6  55 o 8.475000       1.488000      452.1257      -149.2 
1 1 1 17 6  56 o 10.40000       1.565000      428.0634      -41.9  
1 1 1 17 6  57 o 4.635000       1.417000      203.9272      -58.3  
1 1 1 17 6  58 o 2.190000       1.578000      ?             ?      
1 1 1 17 6  59 o 11.13000       1.757000      ?             ?      
1 1 1 17 6  60 o 6.870000       1.520000      ?             ?      
1 1 1 17 6  61 o 0.9026000      1.459000      ?             ?      
1 1 1 17 6  62 o 2.108000       1.463000      ?             ?      
1 1 1 17 6  63 o -0.3811000     1.443000      ?             ?      
1 1 1 17 6  64 o -0.9961000E-01 2.066000      ?             ?      
1 1 1 17 6  65 o 1.449000       1.705000      ?             ?      
1 1 1 17 6  66 o 0.6359000      1.408000      ?             ?      
1 1 1 17 6  67 o -0.4735000     1.306000      ?             ?      
1 1 1 17 6  68 o 0.4204000      1.302000      ?             ?      
1 1 1 17 6  69 o 3.130000       1.347000      ?             ?      
1 1 1 17 6  71 o 0.9568000      1.374000      ?             ?      
1 1 1 17 6  72 o 2.908000       1.483000      ?             ?      
1 1 1 17 6  73 o -1.990000      1.646000      ?             ?      
1 1 1 17 7  0  o 30.37000       1.737000      793.3651      -90.0  
1 1 1 17 7  1  o 224.2000       6.025000      1721.691      -150.4 
1 1 1 17 7  2  o 155.3000       3.888000      2173.248      -122.4 
1 1 1 17 7  3  o 65.68000       1.883000      1610.733      107.6  
1 1 1 17 7  4  o 4.971000       0.5498000     615.9119      -42.3  
1 1 1 17 7  5  o 228.4000       3.960000      1903.915      -172.9 
1 1 1 17 7  6  o 53.48000       1.549000      1402.820      119.3  
1 1 1 17 7  7  o 11.78000       0.5512000     706.4777      -93.4  
1 1 1 17 7  8  o 108.1000       2.159000      1798.821      21.4   
1 1 1 17 7  9  o 60.95000       1.286000      1085.456      50.8   
1 1 1 17 7  10 o 224.0000       4.280000      1979.100      164.8  
1 1 1 17 7  11 o 353.1000       7.014000      2730.894      1.2    
1 1 1 17 7  12 o 18.27000       0.7461000     781.6328      118.8  
1 1 1 17 7  13 o 13.94000       0.7025000     766.3333      166.2  
1 1 1 17 7  14 o 69.96000       1.621000      1447.175      -98.4  
1 1 1 17 7  15 o 252.1000       5.540000      2139.971      -134.6 
1 1 1 17 7  16 o 238.6000       4.600000      2192.329      125.3  
1 1 1 17 7  17 o 315.3000       6.329000      2425.353      153.3  
1 1 1 17 7  18 o 47.37000       1.467000      933.6663      -85.9  
1 1 1 17 7  19 o 95.03000       2.193000      1350.905      -173.5 
1 1 1 17 7  20 o 154.1000       3.785000      2115.795      17.9   
1 1 1 17 7  21 o 299.6000       8.533000      2168.623      -174.8 
1 1 1 17 7  22 o 8.877000       1.204000      305.8128      64.0   
1 1 1 17 7  23 o 24.00000       1.379000      657.6951      -45.5  
1 1 1 17 7  24 o 42.61000       1.640000      1001.813      -117.2 
1 1 1 17 7  25 o 53.44000       2.166000      698.0477      144.9  
1 1 1 17 7  26 o 79.16000       2.286000      993.6639      -7.2   
1 1 1 17 7  27 o 45.39000       1.968000      1013.095      20.2   
1 1 1 17 7  28 o 112.9000       3.209000      1388.084      -83.0  
1 1 1 17 7  29 o 63.49000       2.089000      1151.236      41.1   
1 1 1 17 7  30 o 86.46000       2.497000      1172.552      139.6  
1 1 1 17 7  31 o 48.41000       1.661000      1118.591      90.7   
1 1 1 17 7  32 o 10.64000       1.078000      599.8549      13.6   
1 1 1 17 7  33 o 84.21000       2.288000      1270.168      102.6  
1 1 1 17 7  34 o 12.57000       1.204000      292.5107      51.3   
1 1 1 17 7  35 o 12.41000       1.110000      527.2011      -58.9  
1 1 1 17 7  36 o 75.08000       1.981000      1242.624      -177.1 
1 1 1 17 7  37 o 22.81000       1.199000      818.9338      61.3   
1 1 1 17 7  38 o 37.48000       1.393000      908.7601      17.7   
1 1 1 17 7  39 o 18.30000       1.170000      662.8322      -52.1  
1 1 1 17 7  40 o 24.07000       1.244000      905.6455      -154.9 
1 1 1 17 7  41 o 24.47000       1.402000      475.9829      -60.6  
1 1 1 17 7  42 o 16.93000       1.473000      608.4890      -83.2  
1 1 1 17 7  43 o 0.6364000      1.231000      169.7643      0.2    
1 1 1 17 7  44 o 4.771000       1.136000      203.1730      117.8  
1 1 1 17 7  45 o 43.57000       1.594000      930.9813      39.6   
1 1 1 17 7  46 o 18.67000       1.353000      443.7901      153.4  
1 1 1 17 7  47 o 0.7742000      1.328000      75.97890      -33.8  
1 1 1 17 7  48 o 11.65000       1.652000      416.9065      -63.5  
1 1 1 17 7  49 o 14.08000       1.582000      565.8898      143.8  
1 1 1 17 7  50 o 5.367000       1.410000      258.9328      -51.2  
1 1 1 17 7  51 o 9.245000       1.352000      567.6801      28.9   
1 1 1 17 7  52 o 7.364000       1.369000      367.7275      122.6  
1 1 1 17 7  53 o 7.987000       1.572000      352.1990      -127.0 
1 1 1 17 7  54 o 2.922000       1.409000      286.9679      157.2  
1 1 1 17 7  55 o 2.226000       1.420000      296.1733      32.3   
1 1 1 17 7  56 o 4.449000       1.417000      320.1764      137.1  
1 1 1 17 7  57 o 0.1980000      1.472000      154.1649      67.6   
1 1 1 17 7  58 o 1.738000       1.866000      ?             ?      
1 1 1 17 7  59 o 36.36000       2.178000      ?             ?      
1 1 1 17 7  60 o 8.397000       1.626000      ?             ?      
1 1 1 17 7  61 o 1.962000       1.452000      ?             ?      
1 1 1 17 7  62 o -0.2926000     1.320000      ?             ?      
1 1 1 17 7  63 o 2.173000       1.450000      ?             ?      
1 1 1 17 7  64 o 2.066000       1.714000      ?             ?      
1 1 1 17 7  65 o 3.638000       1.725000      ?             ?      
1 1 1 17 7  66 o 3.240000       1.543000      ?             ?      
1 1 1 17 7  67 o 1.347000       1.410000      ?             ?      
1 1 1 17 7  68 o 2.002000       1.315000      ?             ?      
1 1 1 17 7  69 o 2.855000       1.334000      ?             ?      
1 1 1 17 7  70 o 0.1113000      1.327000      ?             ?      
1 1 1 17 7  71 o 2.834000       1.454000      ?             ?      
1 1 1 17 7  72 o 1.793000       1.553000      ?             ?      
1 1 1 17 7  73 o 0.5979000      1.751000      ?             ?      
1 1 1 17 8  0  o 97.33000       2.441000      1361.806      -90.0  
1 1 1 17 8  1  o 14.49000       0.5630000     602.2947      -28.8  
1 1 1 17 8  2  o 204.9000       5.018000      2138.735      -90.3  
1 1 1 17 8  3  o 32.24000       0.9463000     944.6144      153.6  
1 1 1 17 8  4  o 141.9000       2.523000      1617.819      -99.8  
1 1 1 17 8  5  o 13.94000       0.6131000     490.3216      -32.5  
1 1 1 17 8  6  o 94.03000       2.108000      1452.545      100.9  
1 1 1 17 8  7  o 47.44000       1.456000      722.8371      -35.7  
1 1 1 17 8  8  o 74.05000       1.681000      1383.901      -12.0  
1 1 1 17 8  9  o 36.88000       1.096000      1326.759      130.2  
1 1 1 17 8  10 o 6.548000       0.5916000     161.9596      114.9  
1 1 1 17 8  11 o 98.05000       2.527000      1604.175      71.4   
1 1 1 17 8  12 o 11.90000       0.6694000     336.0717      57.0   
1 1 1 17 8  13 o 760.3000       14.22000      3372.353      -23.2  
1 1 1 17 8  14 o 93.86000       2.155000      1618.084      -53.2  
1 1 1 17 8  15 o 76.97000       1.703000      1136.430      155.9  
1 1 1 17 8  16 o 14.20000       0.8185000     636.1220      -103.0 
1 1 1 17 8  17 o 422.7000       8.410000      2660.425      -146.5 
1 1 1 17 8  18 o 113.3000       2.496000      1225.257      -74.4  
1 1 1 17 8  19 o 69.09000       2.151000      1814.598      98.7   
1 1 1 17 8  20 o 49.94000       1.665000      910.5750      -95.5  
1 1 1 17 8  21 o 123.8000       4.729000      1655.258      -112.5 
1 1 1 17 8  22 o 178.0000       4.907000      1719.317      -20.4  
1 1 1 17 8  23 o 60.34000       1.729000      918.8774      136.2  
1 1 1 17 8  24 o 76.01000       2.181000      1422.972      -117.1 
1 1 1 17 8  25 o 37.82000       1.641000      824.7287      -19.7  
1 1 1 17 8  26 o 230.6000       5.224000      1976.992      -133.9 
1 1 1 17 8  27 o 79.53000       2.347000      1312.218      -168.4 
1 1 1 17 8  28 o 151.2000       4.076000      1725.024      158.0  
1 1 1 17 8  29 o 126.7000       3.537000      1478.441      -143.5 
1 1 1 17 8  30 o 44.17000       1.751000      1142.481      40.2   
1 1 1 17 8  31 o 68.02000       2.288000      1386.145      73.2   
1 1 1 17 8  32 o 33.13000       1.316000      776.2540      -134.3 
1 1 1 17 8  33 o 20.95000       1.160000      704.0333      -155.3 
1 1 1 17 8  34 o 38.65000       1.394000      908.9572      -4.5   
1 1 1 17 8  35 o 168.3000       3.652000      1868.547      -8.2   
1 1 1 17 8  36 o 8.383000       1.084000      322.5722      1.1    
1 1 1 17 8  37 o 20.75000       1.175000      426.4943      47.3   
1 1 1 17 8  38 o 19.32000       1.167000      639.3982      111.3  
1 1 1 17 8  39 o 9.738000       1.088000      458.9415      -62.7  
1 1 1 17 8  40 o 3.378000       1.107000      327.5712      -67.6  
1 1 1 17 8  41 o 1.493000       1.683000      175.3015      -24.8  
1 1 1 17 8  42 o 5.206000       1.242000      208.1922      123.9  
1 1 1 17 8  43 o 59.01000       1.923000      1134.432      -74.4  
1 1 1 17 8  44 o 22.80000       1.300000      792.0637      -26.9  
1 1 1 17 8  45 o 3.456000       1.164000      372.9048      23.2   
1 1 1 17 8  46 o 80.03000       2.210000      1119.497      97.5   
1 1 1 17 8  47 o 11.78000       1.397000      382.3141      68.0   
1 1 1 17 8  48 o 13.75000       1.566000      476.6484      60.6   
1 1 1 17 8  49 o 9.129000       1.668000      368.4404      130.0  
1 1 1 17 8  50 o 9.234000       1.538000      565.3088      132.3  
1 1 1 17 8  51 o 3.120000       1.420000      151.0243      21.9   
1 1 1 17 8  52 o 13.68000       1.422000      558.8788      73.0   
1 1 1 17 8  53 o 8.144000       1.412000      399.9422      -119.3 
1 1 1 17 8  54 o 1.240000       1.385000      205.6195      -51.3  
1 1 1 17 8  55 o 8.099000       1.424000      362.0232      -132.1 
1 1 1 17 8  56 o 1.050000       1.381000      100.8254      -34.2  
1 1 1 17 8  57 o 0.2608000      1.449000      ?             ?      
1 1 1 17 8  58 o 24.63000       1.900000      ?             ?      
1 1 1 17 8  59 o 9.241000       1.607000      ?             ?      
1 1 1 17 8  60 o -0.4534000     1.439000      ?             ?      
1 1 1 17 8  61 o 2.378000       1.444000      ?             ?      
1 1 1 17 8  62 o 6.249000       1.350000      ?             ?      
1 1 1 17 8  63 o 6.228000       1.674000      ?             ?      
1 1 1 17 8  64 o 0.4300000      1.440000      ?             ?      
1 1 1 17 8  65 o -1.922000      1.598000      ?             ?      
1 1 1 17 8  66 o 9.361000       1.768000      ?             ?      
1 1 1 17 8  67 o 0.6617000      1.614000      ?             ?      
1 1 1 17 8  68 o 0.7369000      1.421000      ?             ?      
1 1 1 17 8  69 o 1.307000       1.417000      ?             ?      
1 1 1 17 8  71 o 0.3446000      1.450000      ?             ?      
1 1 1 17 8  72 o 1.207000       1.638000      ?             ?      
1 1 1 17 9  0  o 67.49000       2.210000      734.4018      -90.0  
1 1 1 17 9  1  o 112.0000       2.235000      1473.074      -97.3  
1 1 1 17 9  2  o 110.3000       2.231000      1474.703      -2.0   
1 1 1 17 9  3  o 154.7000       3.595000      1588.341      -10.6  
1 1 1 17 9  4  o 241.9000       4.204000      2010.072      -105.7 
1 1 1 17 9  5  o 117.9000       2.154000      1440.067      163.5  
1 1 1 17 9  6  o 11.01000       0.6329000     141.1861      134.0  
1 1 1 17 9  7  o 320.4000       7.118000      2186.041      -41.6  
1 1 1 17 9  8  o 130.9000       2.843000      1537.327      118.2  
1 1 1 17 9  9  o 213.9000       3.890000      2089.720      109.9  
1 1 1 17 9  10 o 81.72000       1.732000      1321.313      -120.3 
1 1 1 17 9  11 o 611.5000       11.47000      3474.883      35.4   
1 1 1 17 9  12 o 110.6000       2.256000      1471.914      143.3  
1 1 1 17 9  13 o 26.78000       0.9162000     594.8965      -34.0  
1 1 1 17 9  14 f 31.71000       1.304000      617.9035      -54.8  
1 1 1 17 9  15 o 96.76000       2.123000      1177.871      -62.1  
1 1 1 17 9  16 o 66.82000       1.552000      1329.663      147.1  
1 1 1 17 9  17 o 33.57000       1.190000      596.2211      174.2  
1 1 1 17 9  18 o 154.9000       3.281000      1570.969      -57.4  
1 1 1 17 9  19 o 3.086000       1.175000      108.1562      76.3   
1 1 1 17 9  20 o 58.64000       3.089000      1236.057      -64.2  
1 1 1 17 9  21 o 21.88000       1.465000      538.4725      177.2  
1 1 1 17 9  22 o 760.4000       19.43000      3699.707      22.5   
1 1 1 17 9  23 o 16.89000       1.305000      839.6271      -82.1  
1 1 1 17 9  24 o 44.48000       1.535000      843.4118      45.7   
1 1 1 17 9  25 o 315.9000       6.972000      2198.485      -25.6  
1 1 1 17 9  26 o 259.5000       6.191000      2317.769      -38.1  
1 1 1 17 9  27 o 80.58000       2.374000      1369.553      -43.4  
1 1 1 17 9  28 o 15.54000       1.302000      880.9954      -62.3  
1 1 1 17 9  29 o 65.57000       2.350000      1190.953      81.5   
1 1 1 17 9  30 o 113.8000       3.052000      1167.730      169.4  
1 1 1 17 9  31 o 104.7000       2.685000      1707.378      -30.1  
1 1 1 17 9  32 o 2.801000       1.013000      48.42117      4.7    
1 1 1 17 9  33 o 10.69000       1.047000      464.3859      -162.5 
1 1 1 17 9  34 o 72.88000       1.926000      1251.370      31.4   
1 1 1 17 9  35 o 11.31000       1.098000      423.6730      -9.7   
1 1 1 17 9  36 o 53.28000       1.624000      1276.601      113.6  
1 1 1 17 9  37 o 53.98000       1.794000      937.9437      30.3   
1 1 1 17 9  38 o 45.63000       1.519000      1133.452      -29.9  
1 1 1 17 9  39 o 86.74000       2.193000      1315.872      -159.9 
1 1 1 17 9  40 o 2.450000       1.145000      376.5461      137.0  
1 1 1 17 9  41 o 46.38000       2.053000      1173.419      -10.3  
1 1 1 17 9  42 o 4.906000       1.225000      211.5196      -48.3  
1 1 1 17 9  43 o 60.79000       1.821000      1195.443      88.0   
1 1 1 17 9  44 o 12.32000       1.193000      595.3003      -153.3 
1 1 1 17 9  45 o 73.05000       2.056000      1218.006      133.4  
1 1 1 17 9  46 o 29.93000       1.449000      753.4319      175.3  
1 1 1 17 9  47 o 7.809000       1.357000      289.3529      126.2  
1 1 1 17 9  48 o 55.74000       2.035000      1046.318      -174.0 
1 1 1 17 9  49 o 10.94000       1.680000      338.0930      127.5  
1 1 1 17 9  50 o 23.39000       1.709000      758.6418      38.3   
1 1 1 17 9  51 o 41.25000       1.859000      819.4337      -73.0  
1 1 1 17 9  52 o 14.43000       1.440000      532.4907      -111.6 
1 1 1 17 9  53 o 1.067000       1.359000      118.0841      16.1   
1 1 1 17 9  54 o 15.80000       1.481000      600.4036      83.4   
1 1 1 17 9  55 o 2.259000       1.386000      235.0844      33.7   
1 1 1 17 9  56 o 3.093000       1.441000      173.2707      -48.9  
1 1 1 17 9  57 o 3.927000       1.539000      ?             ?      
1 1 1 17 9  58 o 6.012000       1.695000      ?             ?      
1 1 1 17 9  59 o 11.07000       1.497000      ?             ?      
1 1 1 17 9  60 o 2.397000       1.361000      ?             ?      
1 1 1 17 9  61 o 2.296000       1.345000      ?             ?      
1 1 1 17 9  62 o 9.090000       1.477000      ?             ?      
1 1 1 17 9  63 o 2.400000       1.429000      ?             ?      
1 1 1 17 9  64 o 9.914000       1.528000      ?             ?      
1 1 1 17 9  65 o -1.324000      1.545000      ?             ?      
1 1 1 17 9  66 o -0.4343000     1.726000      ?             ?      
1 1 1 17 9  67 o 4.027000       1.702000      ?             ?      
1 1 1 17 9  68 o 1.335000       1.403000      ?             ?      
1 1 1 17 9  69 o 2.984000       1.443000      ?             ?      
1 1 1 17 9  70 o 0.2071000      1.430000      ?             ?      
1 1 1 17 9  71 o 0.6881000      1.548000      ?             ?      
1 1 1 17 9  72 o 1.196000       1.724000      ?             ?      
1 1 1 17 10 0  o 45.59000       1.594000      1332.238      90.0   
1 1 1 17 10 1  o 40.40000       1.471000      785.9634      -143.7 
1 1 1 17 10 2  o 224.7000       4.341000      2122.769      5.4    
1 1 1 17 10 3  o 57.36000       1.678000      1364.833      112.4  
1 1 1 17 10 4  o 14.44000       0.7316000     413.1762      79.6   
1 1 1 17 10 5  o 81.33000       2.245000      1190.649      -148.2 
1 1 1 17 10 6  o 127.8000       2.561000      1461.696      -1.4   
1 1 1 17 10 7  o 56.15000       1.635000      880.1094      0.7    
1 1 1 17 10 8  o 214.6000       5.100000      1832.650      52.5   
1 1 1 17 10 9  o 203.8000       4.449000      2055.951      -152.7 
1 1 1 17 10 10 o 292.1000       5.263000      2323.388      127.4  
1 1 1 17 10 11 o 110.5000       2.249000      1463.254      14.8   
1 1 1 17 10 12 o 46.98000       1.179000      1023.939      131.1  
1 1 1 17 10 13 o 176.0000       3.436000      1575.375      -89.6  
1 1 1 17 10 14 o 42.72000       1.168000      765.8934      156.1  
1 1 1 17 10 15 o 16.29000       0.8344000     682.4954      -72.9  
1 1 1 17 10 16 o 36.85000       1.258000      930.1189      159.0  
1 1 1 17 10 17 o 44.32000       1.410000      988.9393      -160.8 
1 1 1 17 10 18 o 29.51000       1.189000      662.2966      150.9  
1 1 1 17 10 19 o 56.20000       2.469000      1130.126      73.9   
1 1 1 17 10 20 o 81.82000       5.636000      1620.053      -148.6 
1 1 1 17 10 21 o 24.94000       1.331000      819.0654      104.4  
1 1 1 17 10 22 o 16.61000       1.321000      433.7162      -163.8 
1 1 1 17 10 23 o 227.4000       5.124000      1865.913      154.2  
1 1 1 17 10 24 o 75.02000       2.147000      1422.175      -73.9  
1 1 1 17 10 25 o 42.76000       1.617000      1165.748      67.4   
1 1 1 17 10 26 o 41.39000       1.536000      813.7461      -30.6  
1 1 1 17 10 27 o 88.82000       2.365000      1520.315      118.4  
1 1 1 17 10 28 o 53.38000       1.856000      958.4734      68.0   
1 1 1 17 10 29 o 70.11000       2.327000      1140.594      -27.7  
1 1 1 17 10 30 o 98.61000       2.551000      1591.118      44.4   
1 1 1 17 10 31 o 21.99000       1.395000      557.4147      -89.6  
1 1 1 17 10 32 o 32.45000       1.405000      812.2688      -130.4 
1 1 1 17 10 33 o 30.50000       1.262000      797.1656      -102.6 
1 1 1 17 10 34 o 199.4000       4.233000      2061.809      19.9   
1 1 1 17 10 35 o 26.46000       1.236000      588.9968      -137.9 
1 1 1 17 10 36 o 37.27000       1.390000      785.3325      114.5  
1 1 1 17 10 37 o 10.39000       1.078000      382.3443      39.6   
1 1 1 17 10 38 o 58.18000       1.704000      945.8566      -41.8  
1 1 1 17 10 39 o 1.915000       1.076000      226.5177      17.8   
1 1 1 17 10 40 o 3.208000       1.147000      211.4918      164.2  
1 1 1 17 10 41 o 26.08000       1.456000      699.9950      -11.9  
1 1 1 17 10 42 o 10.92000       1.204000      475.8380      -59.1  
1 1 1 17 10 43 o 22.33000       1.268000      526.4783      -63.4  
1 1 1 17 10 44 o 15.36000       1.213000      590.5048      -172.9 
1 1 1 17 10 45 o 38.70000       1.530000      1013.059      -52.4  
1 1 1 17 10 46 o 11.12000       1.238000      452.0479      150.1  
1 1 1 17 10 47 o 3.063000       1.206000      164.9136      -136.7 
1 1 1 17 10 48 o 13.03000       1.436000      631.0149      -177.0 
1 1 1 17 10 49 o 10.92000       1.548000      355.3425      156.0  
1 1 1 17 10 50 o 47.89000       2.264000      927.6060      33.8   
1 1 1 17 10 51 o 54.99000       2.260000      1036.263      87.4   
1 1 1 17 10 52 o 2.873000       1.488000      160.0470      92.1   
1 1 1 17 10 53 o 6.602000       1.387000      273.6688      -156.2 
1 1 1 17 10 54 o 9.840000       1.421000      462.5673      93.3   
1 1 1 17 10 55 o 2.907000       1.361000      174.3515      4.7    
1 1 1 17 10 56 o 3.373000       1.443000      190.6909      50.8   
1 1 1 17 10 57 o 4.255000       1.645000      ?             ?      
1 1 1 17 10 58 o 2.850000       1.486000      ?             ?      
1 1 1 17 10 59 o 1.949000       1.319000      ?             ?      
1 1 1 17 10 60 o 20.29000       1.499000      ?             ?      
1 1 1 17 10 61 o 3.776000       1.336000      ?             ?      
1 1 1 17 10 62 o -0.5542000     1.312000      ?             ?      
1 1 1 17 10 63 o 2.732000       1.324000      ?             ?      
1 1 1 17 10 65 o 0.7768000      1.701000      ?             ?      
1 1 1 17 10 66 o 2.064000       1.628000      ?             ?      
1 1 1 17 10 67 o 2.341000       1.709000      ?             ?      
1 1 1 17 10 68 o 0.3366000E-01  1.416000      ?             ?      
1 1 1 17 10 69 o 0.7388000      1.323000      ?             ?      
1 1 1 17 10 70 o 1.214000       1.528000      ?             ?      
1 1 1 17 10 71 o 3.004000       1.706000      ?             ?      
1 1 1 17 10 72 o 2.656000       1.594000      ?             ?      
1 1 1 17 11 0  o 29.47000       1.198000      696.5957      90.0   
1 1 1 17 11 1  o 164.8000       3.018000      1772.303      141.2  
1 1 1 17 11 2  o 347.4000       7.770000      2923.323      -104.9 
1 1 1 17 11 3  o 3.220000       0.5611000     565.4613      -88.7  
1 1 1 17 11 4  o 102.9000       2.097000      1055.929      -42.8  
1 1 1 17 11 5  o 34.44000       0.9387000     638.2376      -152.3 
1 1 1 17 11 6  o 13.51000       0.7303000     305.2763      28.2   
1 1 1 17 11 7  o 57.80000       1.261000      1068.384      143.3  
1 1 1 17 11 8  o 257.2000       4.802000      2321.349      -158.0 
1 1 1 17 11 9  o 253.2000       4.929000      2076.495      -179.0 
1 1 1 17 11 10 o 170.9000       3.377000      1458.089      -59.2  
1 1 1 17 11 11 o 13.95000       0.7419000     50.71536      -84.3  
1 1 1 17 11 12 o 75.42000       1.664000      978.8068      177.2  
1 1 1 17 11 13 o 90.92000       2.198000      1033.962      -165.0 
1 1 1 17 11 14 o 11.61000       0.9062000     632.4411      80.6   
1 1 1 17 11 15 o 3.798000       0.7498000     275.5518      177.2  
1 1 1 17 11 16 o 13.29000       0.8697000     333.2582      -167.0 
1 1 1 17 11 17 o 12.97000       1.056000      645.3946      163.1  
1 1 1 17 11 18 o 126.6000       3.258000      1870.788      -74.0  
1 1 1 17 11 19 o 55.18000       2.129000      1172.521      -47.0  
1 1 1 17 11 20 o 6.385000       1.350000      687.2864      -157.0 
1 1 1 17 11 21 o 178.1000       4.881000      2061.385      -42.8  
1 1 1 17 11 22 o 29.05000       1.273000      757.3467      84.4   
1 1 1 17 11 23 o 16.95000       1.257000      546.3589      -142.1 
1 1 1 17 11 24 o 57.99000       1.851000      956.4530      -164.8 
1 1 1 17 11 25 o 185.2000       3.936000      1833.803      -23.4  
1 1 1 17 11 26 o 4.431000       1.010000      139.4682      173.6  
1 1 1 17 11 27 o 20.42000       1.223000      478.4973      120.0  
1 1 1 17 11 28 o 83.21000       2.416000      1301.645      -91.9  
1 1 1 17 11 29 o 18.17000       1.223000      875.6405      148.1  
1 1 1 17 11 30 o 146.1000       3.961000      1377.100      -3.5   
1 1 1 17 11 31 o 45.56000       1.740000      1186.954      -74.7  
1 1 1 17 11 32 o 29.94000       1.391000      741.7712      48.6   
1 1 1 17 11 33 o 46.09000       1.640000      1221.739      10.2   
1 1 1 17 11 34 o 74.49000       1.963000      1572.879      -2.2   
1 1 1 17 11 35 o 28.33000       1.260000      1052.445      175.0  
1 1 1 17 11 36 o 85.81000       2.158000      1094.047      50.9   
1 1 1 17 11 37 o 54.87000       1.652000      944.9817      124.3  
1 1 1 17 11 38 o 1.414000       1.137000      298.9619      -152.2 
1 1 1 17 11 39 o 25.34000       1.364000      595.5079      82.7   
1 1 1 17 11 40 o 8.161000       1.354000      489.7194      5.3    
1 1 1 17 11 41 o 5.198000       1.207000      449.0267      -139.0 
1 1 1 17 11 42 o 8.421000       1.107000      542.5746      10.8   
1 1 1 17 11 43 o 16.01000       1.192000      586.3743      -13.7  
1 1 1 17 11 44 o 2.670000       1.122000      328.3906      58.1   
1 1 1 17 11 45 o 13.17000       1.226000      546.6569      139.7  
1 1 1 17 11 46 o 8.770000       1.206000      336.2574      -87.8  
1 1 1 17 11 47 o 27.20000       1.415000      862.6730      -140.5 
1 1 1 17 11 48 o 71.42000       2.286000      1053.068      -159.3 
1 1 1 17 11 49 o -0.3542000     1.474000      128.5212      -17.1  
1 1 1 17 11 50 o 35.62000       2.072000      907.1306      -161.2 
1 1 1 17 11 51 o 39.11000       2.006000      828.2996      -151.0 
1 1 1 17 11 52 o 20.19000       1.613000      586.4018      -141.8 
1 1 1 17 11 53 o 22.80000       1.547000      738.8864      9.1    
1 1 1 17 11 54 o 15.33000       1.462000      539.4572      38.1   
1 1 1 17 11 55 o 10.45000       1.423000      533.4521      -84.0  
1 1 1 17 11 56 o 7.187000       1.538000      369.2564      14.8   
1 1 1 17 11 57 o 4.015000       1.620000      ?             ?      
1 1 1 17 11 58 o 4.633000       1.413000      ?             ?      
1 1 1 17 11 59 o 2.553000       1.307000      ?             ?      
1 1 1 17 11 60 o 0.4328000      1.314000      ?             ?      
1 1 1 17 11 61 o 1.850000       1.314000      ?             ?      
1 1 1 17 11 62 o 8.621000       1.353000      ?             ?      
1 1 1 17 11 63 o 11.21000       1.368000      ?             ?      
1 1 1 17 11 64 o 6.471000       1.346000      ?             ?      
1 1 1 17 11 65 o 11.53000       1.546000      ?             ?      
1 1 1 17 11 66 o 2.588000       1.631000      ?             ?      
1 1 1 17 11 67 o 11.77000       1.823000      ?             ?      
1 1 1 17 11 68 o 0.4439000      1.521000      ?             ?      
1 1 1 17 11 69 o 5.819000       1.452000      ?             ?      
1 1 1 17 11 70 o 0.4815000      1.522000      ?             ?      
1 1 1 17 11 71 o 1.430000       1.697000      ?             ?      
1 1 1 17 11 72 o 3.357000       1.515000      ?             ?      
1 1 1 17 12 0  o 6.478000       0.7304000     974.6968      -90.0  
1 1 1 17 12 1  o 0.8220000      0.4934000     271.2102      -22.9  
1 1 1 17 12 2  o 33.13000       1.059000      852.4394      27.7   
1 1 1 17 12 3  o 150.7000       2.819000      1562.329      127.9  
1 1 1 17 12 4  o 45.47000       1.066000      1003.098      162.4  
1 1 1 17 12 5  o 688.7000       14.51000      3411.125      -32.8  
1 1 1 17 12 6  o 488.0000       8.299000      2836.342      -4.9   
1 1 1 17 12 7  o 7.125000       0.6793000     280.3734      93.9   
1 1 1 17 12 8  o 33.73000       1.117000      926.7471      -77.2  
1 1 1 17 12 9  o 72.39000       1.700000      1396.405      -83.7  
1 1 1 17 12 10 o 209.3000       4.059000      1921.237      -153.4 
1 1 1 17 12 11 o 129.9000       2.869000      1416.708      -4.9   
1 1 1 17 12 12 o 135.7000       3.014000      1393.120      -169.3 
1 1 1 17 12 13 o 145.6000       3.059000      1959.185      -121.3 
1 1 1 17 12 14 o 56.95000       1.587000      1155.035      137.6  
1 1 1 17 12 15 o 56.63000       1.598000      906.8764      -74.6  
1 1 1 17 12 16 o 70.05000       1.848000      1183.668      178.0  
1 1 1 17 12 17 o 41.90000       1.389000      961.2360      68.2   
1 1 1 17 12 18 o 78.52000       2.546000      1548.652      137.0  
1 1 1 17 12 19 o 13.43000       1.209000      650.2620      -43.9  
1 1 1 17 12 20 o 90.74000       2.513000      1460.190      124.9  
1 1 1 17 12 21 o 34.62000       1.425000      897.0889      70.4   
1 1 1 17 12 22 o 19.58000       1.186000      636.0265      -168.8 
1 1 1 17 12 23 o 21.47000       1.213000      647.1014      166.3  
1 1 1 17 12 24 o 141.9000       3.384000      1843.618      47.3   
1 1 1 17 12 25 o 276.0000       5.650000      2151.327      -34.2  
1 1 1 17 12 26 o 85.00000       2.093000      1247.006      -36.9  
1 1 1 17 12 27 o 47.14000       1.609000      834.9226      86.9   
1 1 1 17 12 28 o 90.04000       2.405000      888.0067      150.2  
1 1 1 17 12 29 o 36.29000       1.560000      906.3990      68.4   
1 1 1 17 12 30 o 4.941000       1.105000      75.47961      95.1   
1 1 1 17 12 31 o 104.5000       2.667000      1406.400      128.8  
1 1 1 17 12 32 o 15.77000       1.313000      495.9760      67.8   
1 1 1 17 12 33 o 8.861000       1.214000      547.2559      106.7  
1 1 1 17 12 34 o 9.596000       1.046000      344.9287      -27.4  
1 1 1 17 12 35 o 80.45000       2.071000      1623.712      174.5  
1 1 1 17 12 36 o 8.376000       1.055000      425.7040      -108.8 
1 1 1 17 12 37 o 20.14000       1.168000      580.9567      -114.9 
1 1 1 17 12 38 o 14.65000       1.132000      808.9326      -119.2 
1 1 1 17 12 39 o 37.68000       1.718000      884.9709      148.9  
1 1 1 17 12 40 o 4.295000       1.193000      262.8514      -11.4  
1 1 1 17 12 41 o 14.31000       1.179000      553.6642      -19.4  
1 1 1 17 12 42 o 6.366000       1.155000      176.5322      -151.9 
1 1 1 17 12 43 o 6.083000       1.114000      205.7573      163.6  
1 1 1 17 12 44 o 8.406000       1.146000      334.9280      -12.9  
1 1 1 17 12 45 o 9.820000       1.186000      337.5190      -38.5  
1 1 1 17 12 46 o 1.463000       1.166000      391.9488      -112.5 
1 1 1 17 12 47 o 9.110000       1.239000      456.1194      -95.3  
1 1 1 17 12 48 o 3.827000       1.244000      292.4440      -45.9  
1 1 1 17 12 49 o 24.37000       1.692000      732.3339      -95.8  
1 1 1 17 12 50 o 21.88000       1.610000      751.0002      -14.9  
1 1 1 17 12 51 o 3.736000       1.533000      374.8486      91.9   
1 1 1 17 12 52 o 13.02000       1.665000      537.3998      100.6  
1 1 1 17 12 53 o 1.739000       1.388000      216.7338      135.5  
1 1 1 17 12 54 o 30.86000       1.753000      870.6202      104.7  
1 1 1 17 12 55 o 9.661000       1.519000      528.4528      81.1   
1 1 1 17 12 56 o -0.4595000     1.625000      ?             ?      
1 1 1 17 12 57 o 22.17000       1.686000      ?             ?      
1 1 1 17 12 58 o -0.2779000     1.289000      ?             ?      
1 1 1 17 12 59 o 0.3327000E-01  1.276000      ?             ?      
1 1 1 17 12 60 o 7.848000       1.336000      ?             ?      
1 1 1 17 12 61 o 7.018000       1.320000      ?             ?      
1 1 1 17 12 62 o 2.622000       1.284000      ?             ?      
1 1 1 17 12 63 o 6.548000       1.315000      ?             ?      
1 1 1 17 12 64 o 1.343000       1.265000      ?             ?      
1 1 1 17 12 65 o 7.009000       1.473000      ?             ?      
1 1 1 17 12 66 o 6.581000       1.580000      ?             ?      
1 1 1 17 12 67 o 1.763000       1.621000      ?             ?      
1 1 1 17 12 68 o -2.181000      1.434000      ?             ?      
1 1 1 17 12 69 o -1.715000      1.605000      ?             ?      
1 1 1 17 12 70 o 7.725000       2.588000      ?             ?      
1 1 1 17 12 71 o 0.4701000      1.710000      ?             ?      
1 1 1 17 12 72 o 1.235000       1.452000      ?             ?      
1 1 1 17 13 0  o 21.78000       1.005000      597.8455      -90.0  
1 1 1 17 13 1  o 121.4000       2.220000      1179.194      136.1  
1 1 1 17 13 2  o 63.22000       1.570000      1456.851      -110.9 
1 1 1 17 13 3  o 64.94000       1.542000      939.1783      47.1   
1 1 1 17 13 4  o 75.06000       1.515000      1278.549      24.9   
1 1 1 17 13 5  o 22.71000       0.9522000     588.1721      112.0  
1 1 1 17 13 6  o 125.9000       2.879000      1828.502      136.9  
1 1 1 17 13 7  o 35.89000       1.083000      1152.708      -143.8 
1 1 1 17 13 8  o 23.51000       1.074000      552.0631      -63.1  
1 1 1 17 13 9  o 7.610000       0.7457000     549.5251      -25.2  
1 1 1 17 13 10 o 9.305000       0.9055000     674.1212      42.1   
1 1 1 17 13 11 o 38.53000       1.124000      1002.695      -174.4 
1 1 1 17 13 12 o 26.55000       1.213000      602.5684      -123.0 
1 1 1 17 13 13 o 161.2000       3.666000      1577.461      -103.7 
1 1 1 17 13 14 o 44.76000       1.557000      1008.888      27.0   
1 1 1 17 13 15 o 14.15000       0.9858000     474.9610      -43.9  
1 1 1 17 13 16 o 62.65000       1.978000      826.0042      52.8   
1 1 1 17 13 17 o 9.847000       1.124000      381.1362      -172.3 
1 1 1 17 13 18 o 91.31000       2.988000      1386.624      -117.6 
1 1 1 17 13 19 o 19.88000       1.810000      475.5930      -109.4 
1 1 1 17 13 20 o 178.9000       4.871000      2162.671      72.1   
1 1 1 17 13 21 o 7.545000       1.051000      162.2666      134.4  
1 1 1 17 13 22 o 142.2000       3.151000      1691.938      161.0  
1 1 1 17 13 23 o 50.55000       1.544000      895.3823      153.1  
1 1 1 17 13 24 o 5.129000       1.112000      516.3889      133.9  
1 1 1 17 13 25 o 26.95000       1.198000      654.9320      -6.4   
1 1 1 17 13 26 o 65.54000       1.752000      1124.131      27.7   
1 1 1 17 13 27 o 12.51000       1.054000      492.1384      -83.4  
1 1 1 17 13 28 o 75.75000       2.125000      1329.641      -142.4 
1 1 1 17 13 29 o 29.72000       1.447000      789.6033      125.1  
1 1 1 17 13 30 o 23.30000       1.270000      807.6763      51.6   
1 1 1 17 13 31 o 34.67000       1.679000      783.7091      -90.8  
1 1 1 17 13 32 o 6.745000       1.231000      276.3076      -69.0  
1 1 1 17 13 33 o 15.29000       1.217000      526.7488      -45.9  
1 1 1 17 13 34 o 4.704000       1.110000      277.5322      -87.8  
1 1 1 17 13 35 o 0.3282000      1.006000      170.4711      8.3    
1 1 1 17 13 36 o 7.009000       1.046000      387.2875      -85.9  
1 1 1 17 13 37 o 10.52000       1.084000      400.1179      99.9   
1 1 1 17 13 38 o 43.38000       1.662000      882.2879      -133.1 
1 1 1 17 13 39 o 1.081000       1.296000      331.4226      17.8   
1 1 1 17 13 40 o 7.361000       1.229000      277.8018      -166.4 
1 1 1 17 13 41 o 80.26000       2.135000      1184.012      -113.0 
1 1 1 17 13 42 o 23.99000       1.283000      765.9998      7.0    
1 1 1 17 13 43 o 5.804000       1.111000      454.0728      58.6   
1 1 1 17 13 44 o 2.457000       1.106000      89.27845      -69.5  
1 1 1 17 13 45 o 6.403000       1.172000      406.1228      120.1  
1 1 1 17 13 46 o 29.47000       1.444000      711.7629      -47.5  
1 1 1 17 13 47 o 2.439000       1.196000      266.2040      -121.6 
1 1 1 17 13 48 o 1.091000       1.215000      105.6950      -157.1 
1 1 1 17 13 49 o 3.327000       1.395000      391.2181      144.7  
1 1 1 17 13 50 o 64.08000       2.403000      ?             ?      
1 1 1 17 13 51 o 5.825000       1.770000      271.3098      -166.0 
1 1 1 17 13 52 o 2.972000       1.605000      318.3460      -109.5 
1 1 1 17 13 53 o 25.52000       1.722000      867.7033      174.6  
1 1 1 17 13 54 o 0.1154000      1.388000      60.75328      -11.4  
1 1 1 17 13 55 o 3.273000       1.539000      359.4637      -161.9 
1 1 1 17 13 56 o 0.9636000      1.646000      ?             ?      
1 1 1 17 13 57 o 7.182000       1.474000      ?             ?      
1 1 1 17 13 58 o 9.101000       1.352000      ?             ?      
1 1 1 17 13 59 o 1.368000       1.283000      ?             ?      
1 1 1 17 13 60 o 1.331000       1.276000      ?             ?      
1 1 1 17 13 61 o 0.9803000      1.254000      ?             ?      
1 1 1 17 13 62 o 4.124000       1.275000      ?             ?      
1 1 1 17 13 63 o 9.485000       1.330000      ?             ?      
1 1 1 17 13 64 o 1.566000       1.259000      ?             ?      
1 1 1 17 13 65 o 1.917000       1.309000      ?             ?      
1 1 1 17 13 66 o 1.458000       1.434000      ?             ?      
1 1 1 17 13 67 o 1.843000       1.604000      ?             ?      
1 1 1 17 13 68 o 3.073000       1.526000      ?             ?      
1 1 1 17 13 69 o 6.831000       1.726000      ?             ?      
1 1 1 17 13 70 o 4.880000       1.625000      ?             ?      
1 1 1 17 13 71 o 2.508000       1.564000      ?             ?      
1 1 1 17 13 72 o 1.400000       1.474000      ?             ?      
1 1 1 17 14 0  o 156.7000       4.548000      1696.312      -90.0  
1 1 1 17 14 1  o 72.01000       1.592000      1332.852      15.0   
1 1 1 17 14 2  o 65.43000       1.474000      1024.367      -137.4 
1 1 1 17 14 3  o -0.8094000     0.5656000     167.8856      115.7  
1 1 1 17 14 4  o 93.50000       2.028000      1427.739      -104.2 
1 1 1 17 14 5  f 134.5000       3.342000      1797.727      -4.7   
1 1 1 17 14 6  o 79.93000       1.770000      1205.993      -144.2 
1 1 1 17 14 7  o 197.3000       4.033000      2081.216      -103.3 
1 1 1 17 14 8  o 52.68000       1.430000      1143.652      145.5  
1 1 1 17 14 9  o 2.869000       0.8098000     531.1965      -86.6  
1 1 1 17 14 10 o 13.85000       0.9230000     698.9705      -81.9  
1 1 1 17 14 11 o 86.89000       2.150000      1581.749      -47.2  
1 1 1 17 14 12 o 111.1000       2.816000      1598.390      -75.8  
1 1 1 17 14 13 o 2.261000       0.8302000     269.1350      9.4    
1 1 1 17 14 14 o 5.712000       0.8108000     727.7059      144.5  
1 1 1 17 14 15 o 76.69000       2.188000      1382.043      -149.8 
1 1 1 17 14 16 o 168.5000       4.363000      1715.176      173.4  
1 1 1 17 14 17 o 22.07000       1.337000      1218.523      136.6  
1 1 1 17 14 18 o 4.940000       1.055000      403.5705      113.1  
1 1 1 17 14 19 o 4.371000       1.022000      252.9900      74.9   
1 1 1 17 14 20 o 8.051000       1.040000      809.0025      92.3   
1 1 1 17 14 21 o 54.96000       1.640000      1598.756      -151.8 
1 1 1 17 14 22 o -0.3752000     1.021000      237.9810      116.1  
1 1 1 17 14 23 o 72.60000       1.886000      1458.603      61.3   
1 1 1 17 14 24 o 4.016000       0.9530000     202.7152      29.1   
1 1 1 17 14 25 o 43.97000       1.559000      1154.976      -39.3  
1 1 1 17 14 26 o 38.76000       1.351000      1150.234      134.3  
1 1 1 17 14 27 o 12.89000       1.048000      360.5473      132.6  
1 1 1 17 14 28 o 19.00000       1.209000      742.3507      155.5  
1 1 1 17 14 29 o 14.79000       1.234000      712.7067      113.1  
1 1 1 17 14 30 o 3.802000       1.152000      291.9940      106.0  
1 1 1 17 14 31 o 39.73000       1.506000      918.2524      132.7  
1 1 1 17 14 32 o 7.478000       1.136000      361.2984      108.9  
1 1 1 17 14 33 o 10.87000       1.284000      503.1002      95.2   
1 1 1 17 14 34 o 19.40000       1.262000      612.9960      -37.7  
1 1 1 17 14 35 o 37.57000       1.528000      766.4836      177.6  
1 1 1 17 14 36 o 7.854000       1.058000      336.0758      -110.2 
1 1 1 17 14 37 o 44.32000       1.606000      943.6139      -79.3  
1 1 1 17 14 38 o 8.160000       1.171000      500.5273      141.5  
1 1 1 17 14 39 o 17.37000       1.516000      825.7284      -34.6  
1 1 1 17 14 40 o 56.49000       1.965000      994.8311      -29.1  
1 1 1 17 14 41 o 12.11000       1.161000      626.2046      -101.6 
1 1 1 17 14 42 o 52.47000       1.685000      1120.388      -50.7  
1 1 1 17 14 43 o 3.111000       1.103000      203.7433      73.9   
1 1 1 17 14 44 o 28.35000       1.377000      777.6931      120.5  
1 1 1 17 14 45 o 5.821000       1.173000      368.7297      -16.1  
1 1 1 17 14 46 o 38.91000       1.565000      845.5496      -117.1 
1 1 1 17 14 47 o 5.219000       1.220000      340.6516      -11.1  
1 1 1 17 14 48 o 16.15000       1.327000      692.3091      -78.6  
1 1 1 17 14 49 o 2.263000       1.399000      282.9693      -37.3  
1 1 1 17 14 50 o 0.4719000      1.477000      170.7392      84.4   
1 1 1 17 14 51 o 7.020000       1.471000      513.5648      -56.9  
1 1 1 17 14 52 o 3.446000       1.531000      347.1547      -79.2  
1 1 1 17 14 53 o 11.94000       1.731000      586.8456      144.7  
1 1 1 17 14 54 o 2.191000       1.470000      170.9679      -157.0 
1 1 1 17 14 55 o 6.972000       1.706000      372.3621      -5.3   
1 1 1 17 14 56 o 1.496000       1.508000      ?             ?      
1 1 1 17 14 57 o 10.16000       1.363000      ?             ?      
1 1 1 17 14 58 o 15.85000       1.418000      ?             ?      
1 1 1 17 14 59 o 7.659000       1.329000      ?             ?      
1 1 1 17 14 60 o 5.548000       1.294000      ?             ?      
1 1 1 17 14 61 o 0.4567000E-01  1.251000      ?             ?      
1 1 1 17 14 62 o 2.897000       1.253000      ?             ?      
1 1 1 17 14 63 o 5.304000       1.298000      ?             ?      
1 1 1 17 14 64 o 0.9105000      1.254000      ?             ?      
1 1 1 17 14 65 o -1.741000      1.255000      ?             ?      
1 1 1 17 14 66 o 3.800000       1.460000      ?             ?      
1 1 1 17 14 67 o 1.791000       1.407000      ?             ?      
1 1 1 17 14 68 o 5.548000       1.696000      ?             ?      
1 1 1 17 14 69 o -3.258000      1.841000      ?             ?      
1 1 1 17 14 70 o -1.326000      1.505000      ?             ?      
1 1 1 17 14 71 o 2.150000       1.348000      ?             ?      
1 1 1 17 15 0  o 65.46000       2.327000      1482.243      90.0   
1 1 1 17 15 1  o 19.76000       1.110000      823.4171      8.5    
1 1 1 17 15 2  o 7.667000       0.7223000     341.8685      9.4    
1 1 1 17 15 3  o 187.8000       4.683000      1872.237      -9.7   
1 1 1 17 15 4  o 84.33000       2.046000      1600.773      14.9   
1 1 1 17 15 5  o 135.3000       3.465000      1955.269      -25.8  
1 1 1 17 15 6  o 95.58000       2.355000      1652.026      -125.5 
1 1 1 17 15 7  o 14.01000       0.9348000     629.1793      -36.1  
1 1 1 17 15 8  o 36.00000       1.518000      1219.510      14.1   
1 1 1 17 15 9  o 13.86000       0.9106000     583.0355      -133.0 
1 1 1 17 15 10 o 17.46000       1.022000      694.9646      172.5  
1 1 1 17 15 11 o 15.13000       0.9929000     812.1642      37.1   
1 1 1 17 15 12 o 76.59000       1.985000      1534.536      -10.7  
1 1 1 17 15 13 o 15.14000       1.009000      609.6349      -131.1 
1 1 1 17 15 14 o 35.22000       1.279000      763.8449      -171.3 
1 1 1 17 15 15 o 7.265000       0.9690000     743.1553      -28.6  
1 1 1 17 15 16 o 24.48000       1.212000      1078.598      -81.0  
1 1 1 17 15 17 o 66.51000       2.374000      941.1956      -118.0 
1 1 1 17 15 18 o 30.65000       1.408000      1006.364      -50.6  
1 1 1 17 15 19 o 39.31000       1.416000      1354.656      53.4   
1 1 1 17 15 20 o 7.089000       0.9987000     357.4595      107.5  
1 1 1 17 15 21 o 4.482000       1.001000      748.0524      -145.3 
1 1 1 17 15 22 o 67.78000       1.834000      1215.381      -145.1 
1 1 1 17 15 23 o 57.69000       1.647000      891.4907      98.7   
1 1 1 17 15 24 o 16.91000       1.064000      389.8580      99.3   
1 1 1 17 15 25 o 32.43000       1.349000      1049.492      2.4    
1 1 1 17 15 26 o 37.04000       1.318000      830.0301      45.9   
1 1 1 17 15 27 f 42.28000       1.399000      1351.428      -113.6 
1 1 1 17 15 28 o 56.90000       1.794000      1020.871      133.8  
1 1 1 17 15 29 o 11.71000       1.138000      413.0493      121.4  
1 1 1 17 15 30 o 2.700000       1.138000      524.1074      -44.9  
1 1 1 17 15 31 o 17.06000       1.191000      742.2512      -135.9 
1 1 1 17 15 32 o 42.37000       1.591000      859.0682      -160.3 
1 1 1 17 15 33 o 4.002000       1.131000      306.7977      -7.9   
1 1 1 17 15 34 o 2.213000       1.127000      234.2072      -103.4 
1 1 1 17 15 35 o 7.574000       1.164000      275.1765      -7.5   
1 1 1 17 15 36 o 19.21000       1.191000      705.1733      161.3  
1 1 1 17 15 37 o 6.313000       1.133000      471.5691      157.9  
1 1 1 17 15 38 o 14.92000       1.419000      450.7708      90.6   
1 1 1 17 15 39 o 13.43000       1.287000      634.5291      -36.1  
1 1 1 17 15 40 o 10.89000       1.142000      582.9009      39.8   
1 1 1 17 15 41 o -0.3832000     1.071000      84.01173      -35.7  
1 1 1 17 15 42 o 12.93000       1.177000      541.0245      81.4   
1 1 1 17 15 43 o 9.625000       1.157000      460.5848      11.8   
1 1 1 17 15 44 o 8.681000       1.183000      327.9570      -65.8  
1 1 1 17 15 45 o 2.930000       1.173000      163.6005      -127.6 
1 1 1 17 15 46 o 14.99000       1.291000      519.4481      -10.7  
1 1 1 17 15 47 o 9.550000       1.273000      517.9995      97.7   
1 1 1 17 15 48 o 21.02000       1.398000      611.0764      152.3  
1 1 1 17 15 49 o 2.219000       1.267000      244.2973      -68.2  
1 1 1 17 15 50 o 10.93000       1.531000      525.5920      -108.3 
1 1 1 17 15 51 o 0.3215000      1.614000      90.68124      -121.2 
1 1 1 17 15 52 o -0.9346000     1.790000      30.31144      -65.6  
1 1 1 17 15 53 o 10.16000       1.721000      452.3010      169.6  
1 1 1 17 15 54 o 2.275000       1.716000      223.9988      23.3   
1 1 1 17 15 55 o 0.1017000      1.670000      ?             ?      
1 1 1 17 15 56 o 2.355000       1.412000      ?             ?      
1 1 1 17 15 57 o 0.4865000      1.291000      ?             ?      
1 1 1 17 15 58 o 4.990000       1.320000      ?             ?      
1 1 1 17 15 59 o 2.319000       1.287000      ?             ?      
1 1 1 17 15 60 o 4.402000       1.270000      ?             ?      
1 1 1 17 15 61 o 1.211000       1.250000      ?             ?      
1 1 1 17 15 62 o 2.665000       1.254000      ?             ?      
1 1 1 17 15 63 o 2.846000       1.261000      ?             ?      
1 1 1 17 15 64 o 1.938000       1.270000      ?             ?      
1 1 1 17 15 65 o 4.043000       1.301000      ?             ?      
1 1 1 17 15 66 o 1.856000       1.429000      ?             ?      
1 1 1 17 15 67 o 0.4557000      1.507000      ?             ?      
1 1 1 17 15 68 o 3.444000       2.107000      ?             ?      
1 1 1 17 15 69 o -1.654000      1.926000      ?             ?      
1 1 1 17 15 70 o -0.1819000     1.646000      ?             ?      
1 1 1 17 15 71 o 2.978000       1.333000      ?             ?      
1 1 1 17 16 0  o 79.23000       2.914000      1910.678      -90.0  
1 1 1 17 16 1  o 32.10000       1.444000      910.2853      91.8   
1 1 1 17 16 2  o 32.13000       0.9906000     870.3873      61.8   
1 1 1 17 16 3  o 0.4003000      0.6538000     414.5458      132.3  
1 1 1 17 16 4  o 90.69000       2.006000      1534.625      127.4  
1 1 1 17 16 5  o 2.997000       0.7679000     561.8594      57.0   
1 1 1 17 16 6  o 18.36000       1.112000      955.5225      -36.3  
1 1 1 17 16 7  o 42.46000       1.939000      1236.359      -61.6  
1 1 1 17 16 8  o 85.85000       2.344000      1349.627      154.7  
1 1 1 17 16 9  o 8.464000       0.9109000     920.2368      -4.1   
1 1 1 17 16 10 o 25.22000       1.211000      674.4844      26.9   
1 1 1 17 16 11 o 50.33000       1.895000      929.9028      -72.5  
1 1 1 17 16 12 o 7.005000       0.9589000     423.7771      -123.9 
1 1 1 17 16 13 o 3.901000       0.8885000     201.7033      46.1   
1 1 1 17 16 14 o 55.38000       1.664000      1027.457      -123.0 
1 1 1 17 16 15 o 47.24000       2.004000      1022.611      -108.5 
1 1 1 17 16 16 o 177.3000       5.258000      1569.173      41.2   
1 1 1 17 16 17 o 12.05000       1.199000      358.8191      55.3   
1 1 1 17 16 18 o 18.76000       1.218000      785.9207      14.8   
1 1 1 17 16 19 o 12.78000       1.090000      671.0675      25.9   
1 1 1 17 16 20 o 33.32000       1.328000      813.7810      -170.9 
1 1 1 17 16 21 o 1.053000       0.9908000     96.18210      -96.0  
1 1 1 17 16 22 o 65.25000       2.214000      989.0168      81.1   
1 1 1 17 16 23 o 0.8272000      0.9686000     94.05389      150.2  
1 1 1 17 16 24 o 32.78000       1.267000      692.4218      149.8  
1 1 1 17 16 25 o 19.18000       1.088000      768.1766      77.5   
1 1 1 17 16 26 o 24.27000       1.153000      571.1955      -155.2 
1 1 1 17 16 27 o 6.268000       0.9811000     280.7040      -15.1  
1 1 1 17 16 28 o 29.19000       1.220000      547.1928      83.9   
1 1 1 17 16 29 o 24.52000       1.274000      844.4517      155.1  
1 1 1 17 16 30 o 5.389000       1.159000      391.2563      -98.7  
1 1 1 17 16 31 o 11.72000       1.126000      425.7334      -175.0 
1 1 1 17 16 32 o 1.511000       1.085000      255.4871      -3.7   
1 1 1 17 16 33 o 15.60000       1.229000      623.2859      -3.6   
1 1 1 17 16 34 o 6.110000       1.241000      327.7462      -96.5  
1 1 1 17 16 35 o 19.06000       1.292000      610.9015      -94.9  
1 1 1 17 16 36 o 16.82000       1.171000      718.5071      -169.2 
1 1 1 17 16 37 o 1.534000       1.116000      174.0913      -59.3  
1 1 1 17 16 38 o 4.138000       1.187000      340.8868      -1.0   
1 1 1 17 16 39 o 6.359000       1.170000      410.6254      -94.0  
1 1 1 17 16 40 o 20.24000       1.242000      735.3742      -54.9  
1 1 1 17 16 41 o 0.7318000      1.077000      51.85292      -92.1  
1 1 1 17 16 42 o 7.438000       1.134000      337.8002      -5.0   
1 1 1 17 16 43 o 6.609000       1.153000      349.3195      24.4   
1 1 1 17 16 44 o 15.10000       1.248000      498.9613      97.6   
1 1 1 17 16 45 o 6.365000       1.194000      261.2800      -74.5  
1 1 1 17 16 46 o 30.88000       1.486000      868.2604      -129.2 
1 1 1 17 16 47 o 6.061000       1.253000      465.2850      75.3   
1 1 1 17 16 48 o 1.250000       1.236000      28.74429      46.4   
1 1 1 17 16 49 o 3.471000       1.289000      258.0300      -54.5  
1 1 1 17 16 50 o -0.1089000     1.485000      47.20053      -46.0  
1 1 1 17 16 51 o 22.14000       1.831000      712.6541      -29.4  
1 1 1 17 16 52 o 3.160000       1.501000      263.4731      -140.0 
1 1 1 17 16 53 o 8.882000       1.771000      418.8069      118.9  
1 1 1 17 16 54 o 3.968000       2.269000      360.0503      -110.9 
1 1 1 17 16 55 o 5.974000       1.714000      ?             ?      
1 1 1 17 16 56 f 2.018000       1.305000      ?             ?      
1 1 1 17 16 57 o 0.4691000      1.270000      ?             ?      
1 1 1 17 16 58 o 6.381000       1.324000      ?             ?      
1 1 1 17 16 59 o 5.252000       1.292000      ?             ?      
1 1 1 17 16 60 o 0.3772000E-01  1.233000      ?             ?      
1 1 1 17 16 61 o 3.190000       1.262000      ?             ?      
1 1 1 17 16 62 o -0.7010000E-01 1.239000      ?             ?      
1 1 1 17 16 63 o 1.999000       1.260000      ?             ?      
1 1 1 17 16 64 o 0.9198000      1.261000      ?             ?      
1 1 1 17 16 65 o 1.262000       1.268000      ?             ?      
1 1 1 17 16 66 o 1.380000       1.280000      ?             ?      
1 1 1 17 16 67 o -0.9016000E-01 1.424000      ?             ?      
1 1 1 17 16 68 o 0.5372000      1.633000      ?             ?      
1 1 1 17 16 69 o -0.6889000E-01 2.004000      ?             ?      
1 1 1 17 16 70 o 0.7941000E-01  1.417000      ?             ?      
1 1 1 17 16 71 o -2.167000      1.842000      ?             ?      
1 1 1 17 17 0  o 24.79000       1.590000      1023.431      90.0   
1 1 1 17 17 1  o 7.327000       0.9119000     471.2930      -41.1  
1 1 1 17 17 2  o 8.611000       0.7743000     608.3702      -69.6  
1 1 1 17 17 3  o 2.886000       0.7042000     136.5019      -162.6 
1 1 1 17 17 4  o 3.514000       0.8043000     464.1344      -49.6  
1 1 1 17 17 5  o 12.14000       0.8898000     634.9225      -158.2 
1 1 1 17 17 6  o 8.582000       0.8686000     492.1252      -112.0 
1 1 1 17 17 7  o 16.40000       1.029000      703.6942      35.9   
1 1 1 17 17 8  o 2.035000       0.9546000     227.3636      26.7   
1 1 1 17 17 9  o 17.80000       1.118000      669.7170      171.8  
1 1 1 17 17 10 o 4.808000       0.9355000     391.5903      -78.4  
1 1 1 17 17 11 o 13.82000       1.194000      600.9292      58.4   
1 1 1 17 17 12 o 6.820000       1.021000      480.7710      154.0  
1 1 1 17 17 13 o 1.086000       1.102000      163.9537      -102.6 
1 1 1 17 17 14 o 0.2770000      1.041000      228.2633      115.2  
1 1 1 17 17 15 o 43.88000       1.787000      980.0690      114.6  
1 1 1 17 17 16 o 3.403000       1.516000      232.1355      12.1   
1 1 1 17 17 17 o 0.9702000      1.126000      244.2259      95.2   
1 1 1 17 17 18 o 4.170000       1.056000      410.6842      14.7   
1 1 1 17 17 19 o 1.178000       0.9864000     329.4379      71.9   
1 1 1 17 17 20 o 23.69000       1.179000      723.1480      -128.1 
1 1 1 17 17 21 o 25.60000       1.197000      508.9075      156.8  
1 1 1 17 17 22 o 28.95000       1.201000      938.7708      -160.5 
1 1 1 17 17 23 o 1.681000       0.9418000     169.9802      43.5   
1 1 1 17 17 24 o 4.271000       0.9769000     319.4313      -12.3  
1 1 1 17 17 25 o 50.28000       1.516000      1024.042      -45.7  
1 1 1 17 17 26 o 13.75000       1.032000      716.4781      157.5  
1 1 1 17 17 27 o 1.595000       0.9422000     240.0507      149.0  
1 1 1 17 17 28 o 22.40000       1.183000      693.7852      101.0  
1 1 1 17 17 29 o 17.79000       1.179000      729.7463      -67.1  
1 1 1 17 17 30 o 16.40000       1.185000      499.0584      -136.1 
1 1 1 17 17 31 o 4.656000       1.175000      294.6164      106.8  
1 1 1 17 17 32 o 0.8774000      1.055000      217.6176      160.8  
1 1 1 17 17 33 o 2.899000       1.121000      193.1898      -157.8 
1 1 1 17 17 34 o 5.345000       1.139000      293.6020      38.2   
1 1 1 17 17 35 o 0.1884000      1.233000      163.1510      -131.6 
1 1 1 17 17 36 o -2.096000      1.251000      55.77204      5.7    
1 1 1 17 17 37 o 1.109000       1.258000      171.9678      30.1   
1 1 1 17 17 38 o 6.882000       1.219000      336.5740      66.2   
1 1 1 17 17 39 f 18.34000       1.224000      672.9502      -49.6  
1 1 1 17 17 40 o 9.912000       1.146000      477.2079      120.8  
1 1 1 17 17 41 o 0.5181000      1.094000      263.6255      72.3   
1 1 1 17 17 42 o 3.358000       1.126000      282.8620      81.4   
1 1 1 17 17 43 o 1.423000       1.133000      294.0024      -111.5 
1 1 1 17 17 44 o 0.3817000      1.144000      237.7570      159.8  
1 1 1 17 17 45 o 3.996000       1.196000      220.0163      -127.5 
1 1 1 17 17 46 o 4.874000       1.228000      263.4847      109.8  
1 1 1 17 17 47 o 1.521000       1.235000      230.0790      28.7   
1 1 1 17 17 48 o 1.093000       1.248000      36.42564      176.3  
1 1 1 17 17 49 o 1.303000       1.302000      194.9685      -70.0  
1 1 1 17 17 50 o 2.460000       1.347000      205.8246      51.4   
1 1 1 17 17 51 o -0.6927000     1.514000      239.5400      -108.5 
1 1 1 17 17 52 o 1.820000       1.487000      93.66086      132.6  
1 1 1 17 17 53 o -0.4213000     2.207000      123.4425      -126.6 
1 1 1 17 17 54 o -1.196000      2.239000      147.5468      153.1  
1 1 1 17 17 55 o 2.343000       2.097000      ?             ?      
1 1 1 17 17 56 o 2.922000       1.284000      ?             ?      
1 1 1 17 17 57 o 0.1697000      1.275000      ?             ?      
1 1 1 17 17 58 o 1.422000       1.275000      ?             ?      
1 1 1 17 17 59 o 1.779000       1.262000      ?             ?      
1 1 1 17 17 60 o 0.1941000      1.238000      ?             ?      
1 1 1 17 17 61 o 2.314000       1.250000      ?             ?      
1 1 1 17 17 62 o -1.089000      1.244000      ?             ?      
1 1 1 17 17 63 o 1.708000       1.243000      ?             ?      
1 1 1 17 17 64 o -0.1643000     1.248000      ?             ?      
1 1 1 17 17 65 o 0.3050000      1.262000      ?             ?      
1 1 1 17 17 66 o 1.887000       1.269000      ?             ?      
1 1 1 17 17 67 o 4.160000       1.687000      ?             ?      
1 1 1 17 17 68 o -0.5770000     2.131000      ?             ?      
1 1 1 17 17 69 o 0.8400000      2.194000      ?             ?      
1 1 1 17 17 70 o 1.378000       1.531000      ?             ?      
1 1 1 17 17 71 o 1.161000       1.549000      ?             ?      
1 1 1 17 18 0  o 8.974000       1.031000      901.1039      -90.0  
1 1 1 17 18 1  o 3.941000       0.9751000     364.3716      91.9   
1 1 1 17 18 2  o 5.011000       1.050000      675.2435      -142.2 
1 1 1 17 18 3  o 9.506000       0.9078000     539.5810      -166.5 
1 1 1 17 18 4  o 12.90000       0.8909000     603.3051      168.1  
1 1 1 17 18 5  o 1.112000       0.9361000     247.7442      -0.9   
1 1 1 17 18 6  o 21.19000       1.239000      726.9578      -1.0   
1 1 1 17 18 7  o 5.165000       0.9148000     463.8943      -119.5 
1 1 1 17 18 8  o 5.424000       0.9333000     751.4269      161.8  
1 1 1 17 18 9  o 20.34000       1.162000      840.0399      27.4   
1 1 1 17 18 10 o 29.52000       1.281000      944.6334      -71.1  
1 1 1 17 18 11 o 25.00000       1.252000      852.0832      -161.3 
1 1 1 17 18 12 o 0.2959000E-01  1.041000      58.25030      136.7  
1 1 1 17 18 13 o 9.325000       1.411000      410.6677      -89.9  
1 1 1 17 18 14 o 20.86000       1.421000      641.6249      -159.5 
1 1 1 17 18 15 o 3.264000       1.192000      340.3881      98.6   
1 1 1 17 18 16 o -1.163000      1.112000      140.8074      -6.2   
1 1 1 17 18 17 o 1.827000       1.089000      136.6641      -69.8  
1 1 1 17 18 18 o 11.73000       1.151000      578.4930      12.8   
1 1 1 17 18 19 o 4.892000       1.024000      219.0782      -73.7  
1 1 1 17 18 20 o 11.97000       1.074000      699.0211      90.3   
1 1 1 17 18 21 o 9.049000       1.047000      422.8855      -21.7  
1 1 1 17 18 22 o 2.941000       0.9848000     109.6812      157.4  
1 1 1 17 18 23 o 4.043000       0.9473000     308.8723      -34.3  
1 1 1 17 18 24 o 6.486000       0.9616000     486.4008      117.9  
1 1 1 17 18 25 o 0.5721000E-01  0.9435000     118.0742      -108.8 
1 1 1 17 18 26 o 1.003000       0.9435000     134.6169      -119.0 
1 1 1 17 18 27 o 11.50000       0.9952000     141.5106      6.6    
1 1 1 17 18 28 o 3.649000       0.9430000     213.0177      68.3   
1 1 1 17 18 29 o 8.419000       1.010000      286.6081      -122.3 
1 1 1 17 18 30 o 4.582000       1.070000      335.6626      -110.7 
1 1 1 17 18 31 o 7.018000       1.176000      331.6054      9.8    
1 1 1 17 18 32 o 13.17000       1.158000      386.2090      -134.2 
1 1 1 17 18 33 o 2.434000       1.009000      233.2009      -95.3  
1 1 1 17 18 34 o 3.568000       1.125000      200.9993      -132.0 
1 1 1 17 18 35 o -0.5115000     1.311000      36.91581      57.9   
1 1 1 17 18 36 o -2.396000      1.250000      118.4411      -130.1 
1 1 1 17 18 37 o 2.182000       1.374000      270.7139      22.6   
1 1 1 17 18 38 o 24.13000       1.370000      633.1791      -51.8  
1 1 1 17 18 39 o 2.278000       1.100000      217.9991      -18.1  
1 1 1 17 18 40 o 3.710000       1.096000      227.3697      53.7   
1 1 1 17 18 41 o 3.277000       1.113000      79.31506      -164.8 
1 1 1 17 18 42 o 4.251000       1.150000      264.9960      -19.5  
1 1 1 17 18 43 o 6.045000       1.178000      381.5461      -102.2 
1 1 1 17 18 44 o 0.3504000      1.159000      138.7499      51.3   
1 1 1 17 18 45 o 0.7504000      1.183000      212.7622      -171.1 
1 1 1 17 18 46 o -1.612000      1.208000      123.3768      99.1   
1 1 1 17 18 47 o 3.458000       1.259000      183.7975      62.0   
1 1 1 17 18 48 o 5.657000       1.317000      237.9481      -82.2  
1 1 1 17 18 49 o 4.689000       1.367000      316.2112      -64.8  
1 1 1 17 18 50 o 1.982000       1.338000      201.7445      -51.3  
1 1 1 17 18 51 o -0.5616000E-01 1.510000      82.23190      -48.8  
1 1 1 17 18 52 o 1.106000       1.743000      136.0267      -151.9 
1 1 1 17 18 53 o 0.3271000      1.657000      62.92801      -165.8 
1 1 1 17 18 54 o 3.935000       2.341000      ?             ?      
1 1 1 17 18 55 o -2.677000      1.509000      ?             ?      
1 1 1 17 18 56 o 5.116000       1.420000      ?             ?      
1 1 1 17 18 57 o 4.659000       1.290000      ?             ?      
1 1 1 17 18 58 o 2.113000       1.267000      ?             ?      
1 1 1 17 18 59 o 6.818000       1.299000      ?             ?      
1 1 1 17 18 60 o -2.423000      1.226000      ?             ?      
1 1 1 17 18 61 o 5.794000       1.343000      ?             ?      
1 1 1 17 18 62 o 1.615000       1.243000      ?             ?      
1 1 1 17 18 63 o 0.4318000      1.240000      ?             ?      
1 1 1 17 18 64 o 0.9835000      1.241000      ?             ?      
1 1 1 17 18 65 o -0.3228000     1.254000      ?             ?      
1 1 1 17 18 66 o 0.4327000      1.274000      ?             ?      
1 1 1 17 18 67 o -0.8058000     1.473000      ?             ?      
1 1 1 17 18 68 o 0.5837000      1.714000      ?             ?      
1 1 1 17 18 69 o -3.939000      1.423000      ?             ?      
1 1 1 17 18 70 o 1.065000       1.440000      ?             ?      
1 1 1 17 19 0  o -2.299000      1.041000      193.6592      -90.0  
1 1 1 17 19 1  o -2.308000      1.324000      184.1508      -69.6  
1 1 1 17 19 2  o 33.36000       1.468000      939.1385      -51.5  
1 1 1 17 19 3  o 0.9251000      0.9229000     280.3463      -126.0 
1 1 1 17 19 4  o 24.55000       1.212000      648.3552      113.4  
1 1 1 17 19 5  o 14.65000       1.026000      480.2586      175.1  
1 1 1 17 19 6  o 21.92000       1.083000      640.1296      -60.4  
1 1 1 17 19 7  o -1.513000      0.9458000     80.74612      112.6  
1 1 1 17 19 8  o 3.177000       0.9780000     348.7290      78.5   
1 1 1 17 19 9  o 5.477000       1.017000      299.8420      40.6   
1 1 1 17 19 10 o 4.552000       1.038000      319.8575      -148.7 
1 1 1 17 19 11 o 6.263000       1.069000      285.1703      125.6  
1 1 1 17 19 12 o 9.003000       1.143000      533.2933      -69.8  
1 1 1 17 19 13 o 6.707000       1.449000      262.4674      -10.4  
1 1 1 17 19 14 o 17.75000       1.600000      667.9036      128.5  
1 1 1 17 19 15 o 6.745000       1.174000      252.5272      -161.8 
1 1 1 17 19 16 o -1.590000      1.240000      155.5790      -76.0  
1 1 1 17 19 17 o 2.912000       1.127000      227.7390      -141.1 
1 1 1 17 19 18 o 17.81000       1.167000      435.9995      105.2  
1 1 1 17 19 19 o 17.00000       1.163000      430.6718      138.7  
1 1 1 17 19 20 o -0.3495000     0.9898000     145.8511      121.6  
1 1 1 17 19 21 o 8.235000       1.024000      403.9121      176.0  
1 1 1 17 19 22 o 10.98000       1.104000      526.9589      -113.3 
1 1 1 17 19 23 o 2.026000       0.9508000     123.0974      102.4  
1 1 1 17 19 24 o 2.559000       0.9982000     396.0222      28.6   
1 1 1 17 19 25 o 7.655000       0.9503000     439.8107      -85.9  
1 1 1 17 19 26 o 8.708000       0.9664000     248.1898      173.1  
1 1 1 17 19 27 o 7.562000       0.9716000     333.4070      51.5   
1 1 1 17 19 28 o 8.364000       0.9807000     423.0563      46.2   
1 1 1 17 19 29 o 0.5570000      0.9460000     150.3970      -120.0 
1 1 1 17 19 30 o 1.688000       1.043000      163.4480      -177.4 
1 1 1 17 19 31 o 0.7218000      1.130000      209.8564      -35.2  
1 1 1 17 19 32 o 1.188000       1.150000      189.3105      137.4  
1 1 1 17 19 33 o 5.226000       1.091000      206.6278      -47.8  
1 1 1 17 19 34 o 6.016000       1.037000      205.2198      29.5   
1 1 1 17 19 35 o -0.4724000     1.229000      59.51554      -82.8  
1 1 1 17 19 36 o 7.448000       1.916000      275.4908      72.2   
1 1 1 17 19 37 o 12.93000       1.481000      463.5912      93.1   
1 1 1 17 19 38 o 2.019000       1.095000      277.2079      -154.5 
1 1 1 17 19 39 o 1.262000       1.099000      47.13348      165.6  
1 1 1 17 19 40 o 1.752000       1.093000      196.1439      158.1  
1 1 1 17 19 41 o 3.247000       1.123000      203.0670      60.9   
1 1 1 17 19 42 o 1.497000       1.137000      172.9020      99.6   
1 1 1 17 19 43 o 1.282000       1.153000      176.2538      158.5  
1 1 1 17 19 44 o 2.042000       1.177000      52.31294      152.7  
1 1 1 17 19 45 o 10.95000       1.281000      387.4297      121.2  
1 1 1 17 19 46 o 2.671000       1.251000      183.0078      64.7   
1 1 1 17 19 47 o 15.05000       1.386000      446.8507      8.5    
1 1 1 17 19 48 o 3.968000       1.336000      160.5703      6.5    
1 1 1 17 19 49 o 4.618000       1.353000      314.6821      -19.9  
1 1 1 17 19 50 o 0.2463000      1.335000      24.62471      60.5   
1 1 1 17 19 51 o 4.784000       1.536000      236.7744      -85.3  
1 1 1 17 19 52 o 1.335000       1.678000      68.01848      122.1  
1 1 1 17 19 53 o -1.418000      1.777000      71.76111      -159.5 
1 1 1 17 19 54 o -2.400000      1.706000      ?             ?      
1 1 1 17 19 55 o 1.980000       1.527000      ?             ?      
1 1 1 17 19 56 o 4.275000       1.385000      ?             ?      
1 1 1 17 19 57 o 0.2908000      1.256000      ?             ?      
1 1 1 17 19 58 o 0.1981000      1.251000      ?             ?      
1 1 1 17 19 59 o 0.2719000      1.229000      ?             ?      
1 1 1 17 19 60 o -0.2569000     1.227000      ?             ?      
1 1 1 17 19 61 o 2.080000       1.233000      ?             ?      
1 1 1 17 19 62 o 1.170000       1.227000      ?             ?      
1 1 1 17 19 63 f 3.578000       1.246000      ?             ?      
1 1 1 17 19 64 o -0.5180000     1.238000      ?             ?      
1 1 1 17 19 65 o -0.9585000     1.258000      ?             ?      
1 1 1 17 19 66 o 1.385000       1.419000      ?             ?      
1 1 1 17 19 67 o -0.2013000     1.547000      ?             ?      
1 1 1 17 19 68 o -0.4878000     1.680000      ?             ?      
1 1 1 17 19 69 o 0.5674000      1.433000      ?             ?      
1 1 1 17 19 70 o 0.7213000      1.760000      ?             ?      
1 1 1 17 20 0  o 13.21000       1.448000      417.3672      -90.0  
1 1 1 17 20 1  o -2.158000      0.9170000     15.31982      -62.6  
1 1 1 17 20 2  o 8.143000       0.8434000     356.1540      135.9  
1 1 1 17 20 3  o 9.014000       0.9764000     467.4725      46.2   
1 1 1 17 20 4  o 5.986000       0.9660000     323.1422      -69.4  
1 1 1 17 20 5  o -2.269000      0.8280000     70.55389      -137.4 
1 1 1 17 20 6  o -1.145000      0.9526000     53.41458      15.1   
1 1 1 17 20 7  o 4.363000       1.137000      262.0486      -173.0 
1 1 1 17 20 8  o 4.242000       1.163000      193.5269      -118.5 
1 1 1 17 20 9  o -0.6325000     1.045000      82.02982      -85.9  
1 1 1 17 20 10 o -3.590000      1.064000      102.7145      138.5  
1 1 1 17 20 11 o 1.849000       1.105000      134.6323      92.8   
1 1 1 17 20 12 o -1.667000      1.337000      287.8303      59.5   
1 1 1 17 20 13 o -0.4365000E-01 1.368000      91.61392      -13.0  
1 1 1 17 20 14 o -1.524000      1.252000      265.6161      -140.6 
1 1 1 17 20 15 o 1.076000       1.303000      28.67539      143.5  
1 1 1 17 20 16 o 9.446000       1.241000      371.2849      -40.8  
1 1 1 17 20 17 o 1.183000       1.187000      95.78888      109.2  
1 1 1 17 20 18 o 1.657000       1.055000      87.97982      112.0  
1 1 1 17 20 19 o 2.455000       1.030000      107.5217      99.8   
1 1 1 17 20 20 o 4.515000       1.035000      385.9286      -1.4   
1 1 1 17 20 21 o 7.557000       1.017000      348.2004      -33.4  
1 1 1 17 20 22 o 0.9502000      0.9691000     105.8805      160.4  
1 1 1 17 20 23 o 1.054000       0.9352000     153.9466      -125.8 
1 1 1 17 20 24 o 1.104000       0.9878000     327.7615      88.6   
1 1 1 17 20 25 o 0.7633000      0.8954000     70.04706      -73.4  
1 1 1 17 20 26 o 2.452000       0.9036000     101.4954      161.3  
1 1 1 17 20 27 o 4.126000       0.9394000     106.7577      115.8  
1 1 1 17 20 28 o -1.485000      0.9482000     149.2252      158.6  
1 1 1 17 20 29 o 1.318000       0.9570000     193.0648      -44.4  
1 1 1 17 20 30 o 1.780000       1.050000      221.8106      -103.0 
1 1 1 17 20 31 o -0.2062000     1.037000      88.69014      163.6  
1 1 1 17 20 32 o 9.807000       1.303000      181.6312      -102.6 
1 1 1 17 20 33 o -0.2967000     1.060000      139.8182      88.5   
1 1 1 17 20 34 o 1.436000       1.029000      48.34203      170.8  
1 1 1 17 20 35 o 0.9599000      1.277000      117.9132      -28.4  
1 1 1 17 20 36 o -1.243000      1.718000      93.39205      -23.3  
1 1 1 17 20 37 o 1.144000       1.353000      133.0106      -92.2  
1 1 1 17 20 38 o 2.389000       1.237000      161.8271      -20.4  
1 1 1 17 20 39 o 0.8219000      1.092000      73.99625      -173.6 
1 1 1 17 20 40 o 0.9464000E-01  1.084000      52.73607      120.6  
1 1 1 17 20 41 o 0.1381000      1.120000      45.54617      -68.8  
1 1 1 17 20 42 o 3.226000       1.163000      107.9823      -167.4 
1 1 1 17 20 43 o 1.585000       1.177000      181.1918      -123.8 
1 1 1 17 20 44 o 1.569000       1.197000      147.1638      179.7  
1 1 1 17 20 45 o 4.169000       1.266000      165.0101      -103.7 
1 1 1 17 20 46 o -1.295000      1.265000      99.66325      165.8  
1 1 1 17 20 47 o 0.9474000      1.301000      70.39021      -166.4 
1 1 1 17 20 48 o 2.067000       1.326000      189.6006      12.1   
1 1 1 17 20 49 o 0.3308000      1.309000      100.6779      -3.8   
1 1 1 17 20 50 o 0.6472000      1.326000      127.5629      0.5    
1 1 1 17 20 51 o -0.2247000     1.390000      167.4937      -118.5 
1 1 1 17 20 52 o -0.2022000     1.675000      73.35811      30.1   
1 1 1 17 20 53 o -1.144000      1.794000      ?             ?      
1 1 1 17 20 54 o 2.389000       1.378000      ?             ?      
1 1 1 17 20 55 o 6.129000       1.616000      ?             ?      
1 1 1 17 20 56 o -0.3504000     1.485000      ?             ?      
1 1 1 17 20 57 o -1.065000      1.352000      ?             ?      
1 1 1 17 20 58 f -0.3635000     1.249000      ?             ?      
1 1 1 17 20 59 o 0.2742000      1.223000      ?             ?      
1 1 1 17 20 60 o -0.5866000     1.215000      ?             ?      
1 1 1 17 20 61 o 1.653000       1.242000      ?             ?      
1 1 1 17 20 62 o -1.615000      1.237000      ?             ?      
1 1 1 17 20 63 o -0.5905000     1.244000      ?             ?      
1 1 1 17 20 64 o -0.6715000     1.245000      ?             ?      
1 1 1 17 20 65 o 0.3093000      1.265000      ?             ?      
1 1 1 17 20 66 o 0.2863000      1.430000      ?             ?      
1 1 1 17 20 67 o -0.6507000     1.471000      ?             ?      
1 1 1 17 20 68 o -0.4065000     1.722000      ?             ?      
1 1 1 17 20 69 o 1.190000       1.758000      ?             ?      
1 1 1 17 20 70 o -1.551000      2.150000      ?             ?      
1 1 1 17 21 0  o 0.8501000      1.100000      1.208259      90.0   
1 1 1 17 21 1  o -2.325000      1.121000      33.45821      131.7  
1 1 1 17 21 2  o 0.5608000      0.8115000     219.3230      -2.1   
1 1 1 17 21 3  o -1.152000      0.8781000     17.94547      84.2   
1 1 1 17 21 4  o -2.282000      1.331000      108.8772      169.2  
1 1 1 17 21 5  o -1.279000      0.9049000     70.88237      -42.2  
1 1 1 17 21 6  o 2.783000       1.251000      90.05328      -97.7  
1 1 1 17 21 7  o -1.266000      1.263000      27.96076      122.7  
1 1 1 17 21 8  o -0.3405000     1.042000      181.5635      23.2   
1 1 1 17 21 9  o 3.963000       1.242000      68.69729      -149.7 
1 1 1 17 21 10 o -0.8475000     1.303000      97.00302      101.8  
1 1 1 17 21 11 o 0.1556000      1.363000      72.89259      -141.7 
1 1 1 17 21 12 o 1.420000       1.395000      167.9222      -140.8 
1 1 1 17 21 13 o -2.790000      1.437000      174.4848      179.6  
1 1 1 17 21 14 o 0.4107000      1.322000      179.3475      -100.3 
1 1 1 17 21 15 o -0.6600000     1.517000      139.3777      -59.7  
1 1 1 17 21 16 o -0.5678000     1.489000      367.1373      -30.7  
1 1 1 17 21 17 o 4.021000       1.105000      203.7909      2.1    
1 1 1 17 21 18 o 1.789000       1.092000      151.7606      130.1  
1 1 1 17 21 19 o -1.179000      1.005000      209.1347      156.9  
1 1 1 17 21 20 o -0.4287000     1.013000      77.85201      146.2  
1 1 1 17 21 21 o 0.9944000      1.016000      174.6976      -114.8 
1 1 1 17 21 22 o -0.3234000E-01 0.9380000     184.7949      59.0   
1 1 1 17 21 23 o 3.815000       0.9440000     123.0603      103.6  
1 1 1 17 21 24 o 2.308000       0.9088000     166.6689      20.2   
1 1 1 17 21 25 o 0.7130000E-01  0.8809000     196.2532      -133.5 
1 1 1 17 21 26 o 1.932000       0.8941000     173.5222      80.8   
1 1 1 17 21 27 o -0.5392000     0.9170000     106.7458      100.9  
1 1 1 17 21 28 o -0.8760000     1.039000      82.23140      5.7    
1 1 1 17 21 29 o 0.6747000      0.9575000     72.90143      38.6   
1 1 1 17 21 30 o -0.7226000     0.9580000     202.5396      83.9   
1 1 1 17 21 31 o 1.048000       1.051000      137.5527      -65.7  
1 1 1 17 21 32 o 0.7083000      1.149000      124.8944      -117.4 
1 1 1 17 21 33 o -0.3252000E-01 1.073000      130.5011      28.8   
1 1 1 17 21 34 o -1.158000      1.191000      75.10632      -168.2 
1 1 1 17 21 35 o 0.9952000      1.171000      216.8676      74.7   
1 1 1 17 21 36 o 1.612000       1.360000      117.1973      -177.3 
1 1 1 17 21 37 o 4.015000       1.358000      103.7030      -99.4  
1 1 1 17 21 38 o 2.068000       1.220000      34.76220      -2.5   
1 1 1 17 21 39 o 0.5123000      1.096000      111.0379      -168.5 
1 1 1 17 21 40 o 1.581000       1.108000      70.66319      43.3   
1 1 1 17 21 41 o 4.140000       1.164000      128.1631      53.1   
1 1 1 17 21 42 o -0.8950000     1.142000      111.8963      5.8    
1 1 1 17 21 43 o 0.6649000      1.168000      76.88319      73.3   
1 1 1 17 21 44 o 0.5444000      1.219000      99.93465      -41.3  
1 1 1 17 21 45 o 0.1009000      1.268000      206.7981      58.5   
1 1 1 17 21 46 o 1.753000       1.303000      111.9270      89.0   
1 1 1 17 21 47 o 3.629000       1.338000      47.11121      -13.8  
1 1 1 17 21 48 o -2.021000      1.307000      62.10413      12.7   
1 1 1 17 21 49 o 2.216000       1.327000      99.01163      178.0  
1 1 1 17 21 50 o 0.3724000      1.327000      159.3378      133.7  
1 1 1 17 21 51 o 2.150000       1.427000      221.6961      -54.6  
1 1 1 17 21 52 o 0.1392000      1.825000      122.6574      -81.7  
1 1 1 17 21 53 o 1.427000       1.702000      ?             ?      
1 1 1 17 21 54 o 0.7732000      1.366000      ?             ?      
1 1 1 17 21 55 o 0.1834000      1.401000      ?             ?      
1 1 1 17 21 56 o 0.6001000      1.477000      ?             ?      
1 1 1 17 21 57 o -0.8001000     1.350000      ?             ?      
1 1 1 17 21 58 o 0.5182000      1.227000      ?             ?      
1 1 1 17 21 59 o 0.1530000      1.208000      ?             ?      
1 1 1 17 21 60 o 2.603000       1.244000      ?             ?      
1 1 1 17 21 61 o 2.392000       1.247000      ?             ?      
1 1 1 17 21 62 o -1.034000      1.230000      ?             ?      
1 1 1 17 21 63 o 1.386000       1.243000      ?             ?      
1 1 1 17 21 64 o -2.117000      1.241000      ?             ?      
1 1 1 17 21 65 o -2.474000      1.420000      ?             ?      
1 1 1 17 21 66 o -0.8210000     1.866000      ?             ?      
1 1 1 17 21 67 o -2.140000      1.649000      ?             ?      
1 1 1 17 21 68 o -1.917000      1.807000      ?             ?      
1 1 1 17 21 69 o -1.676000      1.466000      ?             ?      
1 1 1 17 22 0  o -1.192000      1.137000      46.27545      90.0   
1 1 1 17 22 1  o -0.2338000     0.7835000     31.05912      -18.8  
1 1 1 17 22 2  o 3.102000       0.8242000     216.6120      145.6  
1 1 1 17 22 3  o -0.2386000     0.8283000     12.86148      59.4   
1 1 1 17 22 4  o -1.543000      0.8842000     78.64098      -166.8 
1 1 1 17 22 5  o -1.610000      0.9514000     135.3074      72.3   
1 1 1 17 22 6  o -2.295000      1.135000      204.5889      -176.2 
1 1 1 17 22 7  o -2.212000      1.035000      126.7256      15.2   
1 1 1 17 22 8  o -0.3711000     1.080000      231.6751      -93.9  
1 1 1 17 22 9  o -4.496000      1.358000      90.48457      -152.4 
1 1 1 17 22 10 o -0.4903000     1.363000      104.7991      -88.9  
1 1 1 17 22 11 o -3.008000      1.395000      159.5431      34.9   
1 1 1 17 22 12 o -3.739000      1.880000      70.60666      -31.3  
1 1 1 17 22 13 o 1.438000       1.898000      19.55209      64.9   
1 1 1 17 22 14 o 0.5549000      1.299000      84.60959      119.5  
1 1 1 17 22 15 o 1.656000       1.501000      61.20920      -61.4  
1 1 1 17 22 16 o -1.023000      1.450000      212.9102      21.6   
1 1 1 17 22 17 o 2.511000       1.251000      210.6227      84.6   
1 1 1 17 22 18 o -0.5387000E-01 1.027000      152.3403      73.6   
1 1 1 17 22 19 o 0.3688000      1.034000      71.79538      21.8   
1 1 1 17 22 20 o -1.062000      0.9904000     34.73154      -176.6 
1 1 1 17 22 21 o 1.597000       0.9797000     41.06223      -151.3 
1 1 1 17 22 22 o 0.1387000      0.9722000     172.2809      -143.0 
1 1 1 17 22 23 o -0.9840000     0.9026000     153.2110      138.9  
1 1 1 17 22 24 o -1.198000      0.8994000     98.90062      35.3   
1 1 1 17 22 25 o 0.7549000      0.8884000     68.11349      -25.9  
1 1 1 17 22 26 o 1.779000       0.8843000     175.3568      45.2   
1 1 1 17 22 27 o 0.1021000      0.8930000     42.06638      -99.4  
1 1 1 17 22 28 o 0.4170000      0.9415000     198.2532      110.8  
1 1 1 17 22 29 o 1.599000       0.9623000     217.0216      -98.5  
1 1 1 17 22 30 o -0.7901000     0.9690000     43.40321      -49.8  
1 1 1 17 22 31 o 2.146000       1.058000      127.4788      -144.7 
1 1 1 17 22 32 o 1.808000       1.093000      123.8974      -179.0 
1 1 1 17 22 33 o 1.449000       1.231000      197.8311      -30.3  
1 1 1 17 22 34 o 4.626000       1.427000      279.1718      58.8   
1 1 1 17 22 35 o 0.8529000E-01  1.183000      129.1627      13.8   
1 1 1 17 22 36 o 2.265000       1.229000      154.4284      -56.6  
1 1 1 17 22 37 o 1.780000       1.199000      124.1542      -179.2 
1 1 1 17 22 38 o 1.438000       1.257000      72.86510      74.9   
1 1 1 17 22 39 o -1.654000      1.241000      12.49644      -141.5 
1 1 1 17 22 40 o 0.7760000      1.150000      176.2491      74.2   
1 1 1 17 22 41 o 1.342000       1.159000      198.3541      148.4  
1 1 1 17 22 42 o -1.498000      1.139000      31.10849      60.6   
1 1 1 17 22 43 o -0.6669000E-01 1.189000      77.51369      124.4  
1 1 1 17 22 44 o -0.2884000     1.217000      56.62980      38.3   
1 1 1 17 22 45 o 1.349000       1.273000      97.61515      -66.8  
1 1 1 17 22 46 o 0.5925000      1.318000      202.5244      -146.6 
1 1 1 17 22 47 o -1.017000      1.292000      31.26213      -141.6 
1 1 1 17 22 48 o 0.7717000      1.313000      113.7285      -28.0  
1 1 1 17 22 49 o -0.8934000     1.324000      56.94603      64.4   
1 1 1 17 22 50 o 3.842000       1.386000      138.0477      -22.4  
1 1 1 17 22 51 o -1.545000      1.445000      41.83371      89.7   
1 1 1 17 22 52 o 3.050000       1.462000      ?             ?      
1 1 1 17 22 53 o -0.8642000     1.419000      ?             ?      
1 1 1 17 22 54 o -0.3984000     1.363000      ?             ?      
1 1 1 17 22 55 o -0.8638000     1.342000      ?             ?      
1 1 1 17 22 56 o 2.363000       1.374000      ?             ?      
1 1 1 17 22 57 o -1.406000      1.463000      ?             ?      
1 1 1 17 22 58 o 0.7136000      1.330000      ?             ?      
1 1 1 17 22 59 o 1.698000       1.231000      ?             ?      
1 1 1 17 22 60 o 0.4733000      1.225000      ?             ?      
1 1 1 17 22 61 o 1.926000       1.247000      ?             ?      
1 1 1 17 22 62 o -0.2050000     1.220000      ?             ?      
1 1 1 17 22 63 o -2.786000      1.221000      ?             ?      
1 1 1 17 22 64 o -0.4598000     1.357000      ?             ?      
1 1 1 17 22 65 o 3.624000       1.642000      ?             ?      
1 1 1 17 22 66 o 0.9324000      1.709000      ?             ?      
1 1 1 17 22 67 o -0.2775000E-01 1.298000      ?             ?      
1 1 1 17 22 68 o 0.2457000      1.422000      ?             ?      
1 1 1 17 22 69 o 0.9668000      1.584000      ?             ?      
1 1 1 17 23 0  o -2.264000      1.184000      133.4788      -90.0  
1 1 1 17 23 1  o 0.1285000      0.8063000     179.3927      4.9    
1 1 1 17 23 2  o 0.6102000      0.8464000     217.3113      -2.3   
1 1 1 17 23 3  o 6.028000       1.148000      525.8415      -155.8 
1 1 1 17 23 4  o 0.2032000      0.8864000     154.8080      -34.5  
1 1 1 17 23 5  o -1.240000      0.9232000     181.6986      -0.1   
1 1 1 17 23 6  o 1.306000       0.9167000     150.6771      56.3   
1 1 1 17 23 7  o -0.4280000     1.109000      143.4950      -179.5 
1 1 1 17 23 8  o 4.152000       1.111000      392.7715      -32.5  
1 1 1 17 23 9  o 4.302000       1.142000      389.6201      24.8   
1 1 1 17 23 10 o -1.381000      1.371000      204.6007      87.0   
1 1 1 17 23 11 o 0.5718000      1.359000      113.2888      153.0  
1 1 1 17 23 12 o 7.075000       2.132000      362.2294      102.9  
1 1 1 17 23 13 o 5.802000       1.436000      469.8694      -90.5  
1 1 1 17 23 14 o -0.8414000     1.423000      64.82150      64.3   
1 1 1 17 23 15 o 1.622000       1.392000      160.5867      -34.2  
1 1 1 17 23 16 o 1.170000       1.418000      225.2361      171.5  
1 1 1 17 23 17 o 3.187000       1.189000      33.50700      95.6   
1 1 1 17 23 18 o 1.041000       1.183000      57.73519      -47.2  
1 1 1 17 23 19 o -0.7146000     1.034000      127.7416      -150.0 
1 1 1 17 23 20 o 1.142000       1.037000      180.0351      -80.2  
1 1 1 17 23 21 o 0.3988000      0.9441000     286.2998      -45.0  
1 1 1 17 23 22 o -2.085000      1.022000      91.03012      113.9  
1 1 1 17 23 23 o 0.7966000      0.9249000     366.5009      -62.2  
1 1 1 17 23 24 o -0.4377000     0.8867000     166.8388      10.0   
1 1 1 17 23 25 o -0.7586000E-01 0.8972000     16.98463      83.0   
1 1 1 17 23 26 o 1.170000       0.9049000     277.3909      135.9  
1 1 1 17 23 27 o 4.118000       0.9525000     429.0546      -115.2 
1 1 1 17 23 28 o 1.567000       0.9248000     108.9393      -39.7  
1 1 1 17 23 29 o 1.886000       0.9452000     81.28571      -4.8   
1 1 1 17 23 30 o 3.733000       0.9914000     358.7150      -8.4   
1 1 1 17 23 31 o 2.816000       1.008000      251.8924      -136.6 
1 1 1 17 23 32 o 1.104000       1.173000      169.5168      173.8  
1 1 1 17 23 33 o 3.335000       1.255000      231.9667      156.4  
1 1 1 17 23 34 f 0.6592000      1.373000      56.50079      -156.2 
1 1 1 17 23 35 o 1.085000       1.160000      214.6249      115.7  
1 1 1 17 23 36 o 2.316000       1.065000      198.1884      -148.9 
1 1 1 17 23 37 o 0.6807000      1.203000      107.5286      136.9  
1 1 1 17 23 38 o 0.4449000E-01  1.352000      116.2952      -156.4 
1 1 1 17 23 39 o 3.656000       1.304000      242.7683      -106.8 
1 1 1 17 23 40 o 8.210000       1.229000      283.5289      -25.3  
1 1 1 17 23 41 o 0.2390000      1.153000      142.8769      152.0  
1 1 1 17 23 42 o -0.3677000     1.159000      9.500391      -156.6 
1 1 1 17 23 43 o 0.9787000      1.192000      157.7261      95.0   
1 1 1 17 23 44 o 2.449000       1.231000      135.9261      73.6   
1 1 1 17 23 45 o 8.097000       1.321000      256.4548      -32.2  
1 1 1 17 23 46 o 2.401000       1.286000      181.8583      -120.9 
1 1 1 17 23 47 o 1.695000       1.295000      132.8454      -168.2 
1 1 1 17 23 48 o 2.247000       1.316000      160.6206      133.1  
1 1 1 17 23 49 o 4.905000       1.340000      238.5976      167.9  
1 1 1 17 23 50 o -1.217000      1.430000      95.86840      -169.4 
1 1 1 17 23 51 o 4.141000       1.600000      158.7511      -154.4 
1 1 1 17 23 52 o 3.132000       1.359000      ?             ?      
1 1 1 17 23 53 o -1.471000      1.400000      ?             ?      
1 1 1 17 23 54 o 2.190000       1.502000      ?             ?      
1 1 1 17 23 55 o 0.5584000      1.355000      ?             ?      
1 1 1 17 23 56 o 1.171000       1.381000      ?             ?      
1 1 1 17 23 57 o 1.450000       1.368000      ?             ?      
1 1 1 17 23 58 o 1.116000       1.345000      ?             ?      
1 1 1 17 23 59 o 0.2792000      1.321000      ?             ?      
1 1 1 17 23 60 o 0.6757000      1.236000      ?             ?      
1 1 1 17 23 61 o -1.407000      1.238000      ?             ?      
1 1 1 17 23 62 o -0.4942000     1.348000      ?             ?      
1 1 1 17 23 63 o 0.5522000      1.233000      ?             ?      
1 1 1 17 23 64 o 2.685000       1.595000      ?             ?      
1 1 1 17 23 65 o 2.498000       1.457000      ?             ?      
1 1 1 17 23 66 o -0.1818000E-01 1.649000      ?             ?      
1 1 1 17 23 67 o 1.123000       1.433000      ?             ?      
1 1 1 17 23 68 o -0.8688000     1.465000      ?             ?      
1 1 1 17 24 0  o -1.386000      1.178000      4.506802      90.0   
1 1 1 17 24 1  o -0.4146000     0.8665000     318.0782      -47.4  
1 1 1 17 24 2  o 13.44000       0.9527000     535.5665      -158.9 
1 1 1 17 24 3  o 3.874000       0.8973000     411.6584      -34.8  
1 1 1 17 24 4  o 11.31000       0.9687000     632.0061      -165.1 
1 1 1 17 24 5  o 36.11000       1.313000      830.8757      83.7   
1 1 1 17 24 6  o -0.2316000     0.8983000     165.0976      165.1  
1 1 1 17 24 7  o 5.287000       1.070000      584.6140      0.8    
1 1 1 17 24 8  o -0.5159000     1.059000      281.5260      176.0  
1 1 1 17 24 9  o 1.304000       1.044000      191.3236      82.3   
1 1 1 17 24 10 o 8.567000       1.337000      262.2994      130.9  
1 1 1 17 24 11 o -0.5166000     1.284000      18.77452      -87.1  
1 1 1 17 24 12 o 2.723000       1.211000      413.6065      21.9   
1 1 1 17 24 13 f -0.2278000     1.141000      235.9051      171.8  
1 1 1 17 24 14 o 2.737000       1.462000      179.8212      25.6   
1 1 1 17 24 15 o -2.665000      2.002000      147.0151      159.0  
1 1 1 17 24 16 o 4.902000       1.404000      403.7085      27.1   
1 1 1 17 24 17 o 0.3588000      1.150000      307.3112      -150.7 
1 1 1 17 24 18 o 7.616000       1.428000      331.0594      -10.7  
1 1 1 17 24 19 o 2.842000       1.402000      146.5740      100.6  
1 1 1 17 24 20 o 2.667000       0.9887000     215.6814      71.2   
1 1 1 17 24 21 o 0.1516000      0.9526000     245.9832      -123.3 
1 1 1 17 24 22 o 0.2151000      0.9431000     214.5076      -170.0 
1 1 1 17 24 23 o 6.577000       0.9882000     414.7972      104.4  
1 1 1 17 24 24 o 1.665000       0.9123000     184.6863      -5.0   
1 1 1 17 24 25 o 2.740000       0.9176000     164.4069      133.2  
1 1 1 17 24 26 o 12.25000       0.9995000     488.7816      66.0   
1 1 1 17 24 27 o -1.202000      0.9119000     62.80570      -143.2 
1 1 1 17 24 28 o 3.608000       0.9336000     259.2752      140.4  
1 1 1 17 24 29 o 4.417000       0.9432000     268.7821      43.4   
1 1 1 17 24 30 o 0.1663000      0.9571000     192.8497      -44.3  
1 1 1 17 24 31 o 0.7285000      0.9756000     110.6591      -92.4  
1 1 1 17 24 32 o 2.870000       1.135000      283.8312      -110.0 
1 1 1 17 24 33 o 0.6032000      1.455000      174.3667      -3.9   
1 1 1 17 24 34 o -0.3290000E-01 1.484000      118.0243      -105.4 
1 1 1 17 24 35 o 3.370000       1.190000      241.7189      -96.2  
1 1 1 17 24 36 o 1.257000       1.044000      190.0991      -175.9 
1 1 1 17 24 37 o -1.052000      1.092000      51.42122      155.1  
1 1 1 17 24 38 o 3.008000       1.255000      214.0967      -9.5   
1 1 1 17 24 39 o 3.311000       1.439000      328.5570      -44.2  
1 1 1 17 24 40 o 3.497000       1.322000      262.1910      -131.5 
1 1 1 17 24 41 o -1.687000      1.154000      164.1102      79.0   
1 1 1 17 24 42 o 4.001000       1.218000      296.4207      -157.5 
1 1 1 17 24 43 o 6.033000       1.249000      375.3811      132.1  
1 1 1 17 24 44 o 2.312000       1.237000      163.1218      51.8   
1 1 1 17 24 45 o -0.2664000     1.253000      109.0950      -57.7  
1 1 1 17 24 46 o 2.904000       1.283000      75.48618      -95.4  
1 1 1 17 24 47 o 2.016000       1.301000      226.7591      83.2   
1 1 1 17 24 48 o 2.041000       1.295000      153.7687      -153.3 
1 1 1 17 24 49 o 2.981000       1.374000      148.6083      -82.6  
1 1 1 17 24 50 o 1.919000       1.570000      45.58387      -76.0  
1 1 1 17 24 51 o 8.215000       1.513000      ?             ?      
1 1 1 17 24 52 o -0.8934000     1.267000      ?             ?      
1 1 1 17 24 53 o 2.448000       1.257000      ?             ?      
1 1 1 17 24 54 o 1.671000       1.406000      ?             ?      
1 1 1 17 24 55 o 3.593000       1.362000      ?             ?      
1 1 1 17 24 56 o -2.553000      1.314000      ?             ?      
1 1 1 17 24 57 o -1.892000      1.333000      ?             ?      
1 1 1 17 24 58 o 2.482000       1.471000      ?             ?      
1 1 1 17 24 59 o 1.331000       1.343000      ?             ?      
1 1 1 17 24 60 o 0.7915000      1.349000      ?             ?      
1 1 1 17 24 61 o 1.650000       1.233000      ?             ?      
1 1 1 17 24 62 o -0.2672000     1.327000      ?             ?      
1 1 1 17 24 63 o -0.6813000     1.227000      ?             ?      
1 1 1 17 24 64 o 1.560000       1.404000      ?             ?      
1 1 1 17 24 65 o -2.342000      1.641000      ?             ?      
1 1 1 17 24 66 o 1.414000       1.588000      ?             ?      
1 1 1 17 24 67 o 1.851000       1.312000      ?             ?      
1 1 1 17 24 68 o -2.266000      1.297000      ?             ?      
1 1 1 17 25 0  o 7.681000       1.198000      253.5159      90.0   
1 1 1 17 25 1  o 1.785000       0.8411000     300.2096      151.3  
1 1 1 17 25 2  o 35.64000       1.255000      712.0598      84.0   
1 1 1 17 25 3  o 31.86000       1.119000      736.9871      -83.7  
1 1 1 17 25 4  o 9.060000       0.9267000     443.9114      17.1   
1 1 1 17 25 5  o 16.98000       1.153000      550.6772      137.0  
1 1 1 17 25 6  o 3.527000       0.9209000     370.7901      97.1   
1 1 1 17 25 7  o -2.476000      1.037000      132.9632      -71.2  
1 1 1 17 25 8  o 15.05000       1.164000      539.0839      101.5  
1 1 1 17 25 9  o 14.85000       1.469000      415.3622      37.7   
1 1 1 17 25 10 o 12.67000       1.332000      543.9807      109.7  
1 1 1 17 25 11 o 6.200000       1.313000      403.2365      158.3  
1 1 1 17 25 12 o 6.350000       1.121000      490.2451      149.2  
1 1 1 17 25 13 o 5.555000       1.091000      86.74068      -91.3  
1 1 1 17 25 14 o 15.31000       1.384000      819.2966      170.7  
1 1 1 17 25 15 o -0.2642000E-01 1.364000      45.32667      -142.5 
1 1 1 17 25 16 o 3.231000       1.084000      286.4745      -82.6  
1 1 1 17 25 17 o 3.409000       1.154000      247.1386      -124.0 
1 1 1 17 25 18 o 5.830000       1.386000      403.4893      -159.6 
1 1 1 17 25 19 o 7.369000       1.358000      508.9222      165.6  
1 1 1 17 25 20 o 1.679000       0.9750000     139.1856      -132.9 
1 1 1 17 25 21 o 0.2247000      1.022000      145.2601      -86.3  
1 1 1 17 25 22 o 13.25000       1.101000      469.8348      159.5  
1 1 1 17 25 23 o -0.1236000     0.9239000     63.43329      59.2   
1 1 1 17 25 24 o 0.7626000      0.9283000     275.4189      -118.0 
1 1 1 17 25 25 o 4.481000       0.9699000     391.2614      152.1  
1 1 1 17 25 26 o 11.05000       1.020000      383.0415      -163.0 
1 1 1 17 25 27 o 12.15000       1.000000      441.0130      -89.0  
1 1 1 17 25 28 o -1.021000      0.9087000     101.4872      -131.2 
1 1 1 17 25 29 o 4.943000       0.9408000     149.3993      6.0    
1 1 1 17 25 30 o 0.5247000E-01  0.9252000     65.53638      -113.5 
1 1 1 17 25 31 o 7.821000       1.014000      319.3511      66.0   
1 1 1 17 25 32 o 3.099000       1.138000      209.2974      161.3  
1 1 1 17 25 33 o 0.1129000      1.201000      189.8734      -76.4  
1 1 1 17 25 34 o 5.232000       1.352000      312.1647      -114.2 
1 1 1 17 25 35 o 3.495000       1.132000      176.7145      54.3   
1 1 1 17 25 36 o 2.656000       1.057000      237.0833      -95.9  
1 1 1 17 25 37 o -1.782000      1.077000      158.9908      77.3   
1 1 1 17 25 38 o 6.121000       1.293000      359.5003      -29.4  
1 1 1 17 25 39 o 4.629000       1.421000      248.4460      -41.3  
1 1 1 17 25 40 o 1.917000       1.312000      234.7155      -21.9  
1 1 1 17 25 41 o -1.148000      1.305000      184.2440      152.0  
1 1 1 17 25 42 o 2.586000       1.218000      195.1783      153.6  
1 1 1 17 25 43 o 1.689000       1.246000      131.5310      27.1   
1 1 1 17 25 44 o 3.660000       1.252000      157.4323      -36.7  
1 1 1 17 25 45 o -0.7078000     1.262000      155.0413      51.6   
1 1 1 17 25 46 o 4.441000       1.290000      239.8031      -136.3 
1 1 1 17 25 47 o 1.304000       1.288000      223.7576      157.0  
1 1 1 17 25 48 o 5.395000       1.310000      277.3973      55.0   
1 1 1 17 25 49 o 3.757000       1.437000      332.8732      -144.1 
1 1 1 17 25 50 o 0.3545000      1.579000      ?             ?      
1 1 1 17 25 51 o 3.033000       1.348000      ?             ?      
1 1 1 17 25 52 o -0.5978000     1.237000      ?             ?      
1 1 1 17 25 53 o 2.554000       1.258000      ?             ?      
1 1 1 17 25 54 o -0.1340000     1.391000      ?             ?      
1 1 1 17 25 55 o 0.2444000      1.450000      ?             ?      
1 1 1 17 25 56 o 1.483000       1.335000      ?             ?      
1 1 1 17 25 57 o 0.7749000      1.371000      ?             ?      
1 1 1 17 25 58 o -1.128000      1.448000      ?             ?      
1 1 1 17 25 59 o -3.201000      1.329000      ?             ?      
1 1 1 17 25 60 o 0.9398000      1.348000      ?             ?      
1 1 1 17 25 61 o 0.4239000      1.222000      ?             ?      
1 1 1 17 25 62 o 1.006000       1.204000      ?             ?      
1 1 1 17 25 63 o 0.3436000      1.415000      ?             ?      
1 1 1 17 25 64 o -0.4138000     1.627000      ?             ?      
1 1 1 17 25 65 o 2.510000       1.464000      ?             ?      
1 1 1 17 25 66 o 1.202000       1.291000      ?             ?      
1 1 1 17 25 67 o 1.678000       1.308000      ?             ?      
1 1 1 17 26 0  o 11.26000       1.224000      767.8887      -90.0  
1 1 1 17 26 1  o 2.655000       0.8065000     63.97705      -90.9  
1 1 1 17 26 2  o 9.147000       0.8725000     532.9421      31.2   
1 1 1 17 26 3  o 3.842000       0.8692000     322.9721      -117.4 
1 1 1 17 26 4  o 0.1467000      0.8546000     137.1907      46.0   
1 1 1 17 26 5  o 18.20000       1.005000      626.0389      1.8    
1 1 1 17 26 6  o 22.58000       1.052000      743.4389      -136.4 
1 1 1 17 26 7  o -0.6551000     1.045000      231.2206      -90.9  
1 1 1 17 26 8  o 49.80000       1.944000      1076.364      127.7  
1 1 1 17 26 9  o 13.23000       1.397000      344.7845      166.9  
1 1 1 17 26 10 o 2.525000       1.263000      240.2650      133.7  
1 1 1 17 26 11 o 19.85000       1.198000      579.7977      -129.1 
1 1 1 17 26 12 o 5.651000       1.102000      146.8513      98.1   
1 1 1 17 26 13 f 9.338000       1.310000      621.3317      -152.4 
1 1 1 17 26 14 o 2.025000       1.650000      284.3058      44.2   
1 1 1 17 26 15 o 10.21000       1.165000      420.7117      -74.2  
1 1 1 17 26 16 o 1.193000       1.063000      92.30990      -25.5  
1 1 1 17 26 17 o 4.191000       1.081000      393.2296      -70.3  
1 1 1 17 26 18 o -0.6028000     1.100000      30.81319      130.3  
1 1 1 17 26 19 o 1.367000       1.075000      436.1877      -130.8 
1 1 1 17 26 20 o 5.013000       1.249000      480.7678      -79.9  
1 1 1 17 26 21 o 0.1989000      1.032000      189.0769      -108.8 
1 1 1 17 26 22 o -0.1790000     0.9432000     31.13092      137.6  
1 1 1 17 26 23 o 7.689000       0.9653000     390.8638      -175.2 
1 1 1 17 26 24 o 6.934000       1.016000      395.7143      137.2  
1 1 1 17 26 25 o 1.298000       1.018000      301.4205      120.9  
1 1 1 17 26 26 o 5.815000       0.9575000     222.0433      -34.2  
1 1 1 17 26 27 o 2.907000       0.9284000     283.5869      -65.4  
1 1 1 17 26 28 o 5.528000       0.9787000     400.1153      70.3   
1 1 1 17 26 29 o 3.072000       0.9535000     333.6652      120.5  
1 1 1 17 26 30 o 4.665000       0.9378000     257.6075      51.5   
1 1 1 17 26 31 o 3.492000       0.9908000     342.1950      -34.6  
1 1 1 17 26 32 o 2.375000       1.153000      235.6050      141.4  
1 1 1 17 26 33 o 15.30000       1.467000      635.2877      -82.4  
1 1 1 17 26 34 o -0.7212000     1.301000      85.63473      -120.0 
1 1 1 17 26 35 o 0.9644000      1.149000      299.2928      62.3   
1 1 1 17 26 36 o 24.73000       1.397000      681.3981      -179.7 
1 1 1 17 26 37 o 0.5580000      1.094000      183.4368      59.5   
1 1 1 17 26 38 o 11.11000       1.213000      463.0197      -50.5  
1 1 1 17 26 39 o 1.005000       1.275000      191.1517      8.9    
1 1 1 17 26 40 o 1.403000       1.404000      205.8247      -169.8 
1 1 1 17 26 41 o -0.5838000     1.313000      74.28868      17.7   
1 1 1 17 26 42 o 23.52000       1.442000      684.2253      -168.9 
1 1 1 17 26 43 o 16.09000       1.378000      469.8319      142.2  
1 1 1 17 26 44 o 16.59000       1.392000      554.8323      47.3   
1 1 1 17 26 45 o 10.95000       1.334000      406.6031      -67.3  
1 1 1 17 26 46 o 10.98000       1.350000      463.8394      151.9  
1 1 1 17 26 47 o 0.7379000      1.278000      277.7375      91.4   
1 1 1 17 26 48 o 8.897000       1.402000      540.5046      -72.1  
1 1 1 17 26 49 o 2.832000       1.564000      215.4358      63.6   
1 1 1 17 26 50 o 4.656000       1.437000      ?             ?      
1 1 1 17 26 51 o 3.254000       1.259000      ?             ?      
1 1 1 17 26 52 o 2.759000       1.236000      ?             ?      
1 1 1 17 26 53 o -0.2398000     1.226000      ?             ?      
1 1 1 17 26 54 o 1.283000       1.260000      ?             ?      
1 1 1 17 26 55 o 0.3182000      1.369000      ?             ?      
1 1 1 17 26 56 o 1.287000       1.453000      ?             ?      
1 1 1 17 26 57 o 3.207000       1.253000      ?             ?      
1 1 1 17 26 58 o 3.668000       1.358000      ?             ?      
1 1 1 17 26 59 o 0.5746000      1.448000      ?             ?      
1 1 1 17 26 60 o -0.5243000     1.318000      ?             ?      
1 1 1 17 26 61 o 2.422000       1.324000      ?             ?      
1 1 1 17 26 62 o -1.046000      1.362000      ?             ?      
1 1 1 17 26 63 o 1.231000       1.395000      ?             ?      
1 1 1 17 26 64 o 1.460000       1.430000      ?             ?      
1 1 1 17 26 65 o 0.2440000      1.321000      ?             ?      
1 1 1 17 26 66 o 0.5926000      1.266000      ?             ?      
1 1 1 17 26 67 o -0.4152000     1.286000      ?             ?      
1 1 1 17 27 0  o 7.117000       1.168000      560.2535      90.0   
1 1 1 17 27 1  o 0.9402000      0.8008000     191.8901      98.8   
1 1 1 17 27 2  o 35.43000       1.139000      1014.468      30.3   
1 1 1 17 27 3  o 6.421000       0.8758000     202.1601      -95.6  
1 1 1 17 27 4  o 22.85000       1.039000      453.2047      -64.5  
1 1 1 17 27 5  o 21.68000       1.027000      714.6935      70.7   
1 1 1 17 27 6  o 23.99000       1.237000      570.4243      -96.6  
1 1 1 17 27 7  o 0.2717000E-01  0.8957000     219.0174      -109.8 
1 1 1 17 27 8  o -0.6274000     1.270000      102.7197      137.3  
1 1 1 17 27 9  o -0.4501000     1.307000      79.89536      129.4  
1 1 1 17 27 10 o 2.549000       1.353000      354.8781      179.0  
1 1 1 17 27 11 o 44.57000       1.524000      1006.864      -155.1 
1 1 1 17 27 12 o 5.718000       1.048000      262.3134      4.5    
1 1 1 17 27 13 o 16.10000       1.367000      440.7969      -145.9 
1 1 1 17 27 14 o 23.49000       1.389000      735.4408      -159.9 
1 1 1 17 27 15 o 2.491000       1.053000      366.7775      19.6   
1 1 1 17 27 16 o 7.933000       1.085000      338.0962      -124.2 
1 1 1 17 27 17 o 6.646000       1.074000      382.1866      -126.6 
1 1 1 17 27 18 o 3.340000       1.050000      106.0672      73.6   
1 1 1 17 27 19 o 12.54000       1.127000      516.7597      -167.7 
1 1 1 17 27 20 o 0.4996000      1.040000      82.00660      -32.8  
1 1 1 17 27 21 o 3.555000       1.051000      271.6733      -67.6  
1 1 1 17 27 22 o 12.44000       1.084000      509.0664      -164.3 
1 1 1 17 27 23 o 0.8017000      1.011000      139.3266      -122.3 
1 1 1 17 27 24 o -0.1703000     1.123000      135.5815      55.8   
1 1 1 17 27 25 o 13.14000       1.004000      541.9033      149.9  
1 1 1 17 27 26 o -1.047000      0.9340000     47.65578      -13.7  
1 1 1 17 27 27 o 3.875000       1.013000      377.7982      117.2  
1 1 1 17 27 28 o 8.310000       1.035000      542.4668      168.6  
1 1 1 17 27 29 o 1.653000       0.9405000     314.2775      -139.9 
1 1 1 17 27 30 o 4.808000       0.9979000     340.1614      32.2   
1 1 1 17 27 31 o 3.275000       1.023000      375.0839      62.4   
1 1 1 17 27 32 o 28.24000       1.426000      716.4033      -37.5  
1 1 1 17 27 33 o 0.4238000      1.219000      242.0277      157.4  
1 1 1 17 27 34 o 8.116000       1.176000      378.1490      97.4   
1 1 1 17 27 35 o 7.710000       1.280000      447.0711      -82.2  
1 1 1 17 27 36 o 12.71000       1.268000      516.2332      -37.9  
1 1 1 17 27 37 o 10.70000       1.164000      461.9929      22.9   
1 1 1 17 27 38 o 6.707000       1.169000      338.6998      138.4  
1 1 1 17 27 39 o 12.10000       1.353000      529.2277      0.7    
1 1 1 17 27 40 o 2.664000       1.303000      204.5397      65.0   
1 1 1 17 27 41 o -1.029000      1.454000      24.22744      6.6    
1 1 1 17 27 42 o 5.511000       1.431000      245.4342      -161.1 
1 1 1 17 27 43 o 3.996000       1.275000      366.6579      107.3  
1 1 1 17 27 44 o 2.852000       1.265000      218.6502      -47.9  
1 1 1 17 27 45 o 2.674000       1.286000      240.0429      166.5  
1 1 1 17 27 46 o 6.040000       1.297000      180.1364      20.4   
1 1 1 17 27 47 o 5.441000       1.301000      366.9028      109.1  
1 1 1 17 27 48 o 0.4204000      1.397000      164.9524      84.8   
1 1 1 17 27 49 o 14.49000       1.663000      ?             ?      
1 1 1 17 27 50 o 2.209000       1.298000      ?             ?      
1 1 1 17 27 51 o 2.287000       1.234000      ?             ?      
1 1 1 17 27 52 o 0.5264000      1.223000      ?             ?      
1 1 1 17 27 53 o 8.738000       1.286000      ?             ?      
1 1 1 17 27 54 o -1.315000      1.342000      ?             ?      
1 1 1 17 27 55 o 3.840000       1.396000      ?             ?      
1 1 1 17 27 56 o 3.346000       1.707000      ?             ?      
1 1 1 17 27 57 o 1.760000       1.520000      ?             ?      
1 1 1 17 27 58 o 0.9854000      1.222000      ?             ?      
1 1 1 17 27 59 o -0.3596000     1.520000      ?             ?      
1 1 1 17 27 60 o -0.8607000     1.701000      ?             ?      
1 1 1 17 27 61 o 2.586000       1.386000      ?             ?      
1 1 1 17 27 62 f 1.773000       1.293000      ?             ?      
1 1 1 17 27 63 o -2.295000      1.383000      ?             ?      
1 1 1 17 27 64 o 0.7326000      1.414000      ?             ?      
1 1 1 17 27 65 o 0.3823000      1.262000      ?             ?      
1 1 1 17 27 66 o 0.5559000E-01  1.264000      ?             ?      
1 1 1 17 28 0  o 0.8218000      1.103000      123.7707      -90.0  
1 1 1 17 28 1  o 11.55000       0.8510000     379.3494      -138.1 
1 1 1 17 28 2  o 13.30000       0.8780000     410.0615      -2.3   
1 1 1 17 28 3  o 12.19000       0.8915000     526.9991      107.8  
1 1 1 17 28 4  o 5.401000       0.8723000     446.3627      53.9   
1 1 1 17 28 5  o 40.90000       1.288000      1058.533      25.7   
1 1 1 17 28 6  o 3.534000       0.8943000     172.0445      99.3   
1 1 1 17 28 7  o 18.19000       1.103000      525.1942      -102.9 
1 1 1 17 28 8  o 20.97000       1.439000      584.6819      71.6   
1 1 1 17 28 9  o 18.86000       1.449000      627.9659      54.4   
1 1 1 17 28 10 o 20.26000       1.213000      577.7531      -108.3 
1 1 1 17 28 11 o 11.24000       1.150000      242.8378      110.2  
1 1 1 17 28 12 o 31.66000       1.494000      506.6986      -46.6  
1 1 1 17 28 13 o 9.014000       1.254000      410.8175      160.4  
1 1 1 17 28 14 o 0.2117000      1.010000      149.0555      -95.3  
1 1 1 17 28 15 o 17.42000       1.155000      629.2650      -51.1  
1 1 1 17 28 16 o 0.2859000      1.049000      114.9046      32.5   
1 1 1 17 28 17 o 9.680000       1.109000      474.9545      -148.8 
1 1 1 17 28 18 o 8.821000       1.081000      485.5693      -39.8  
1 1 1 17 28 19 o 1.978000       1.035000      333.0895      -111.3 
1 1 1 17 28 20 o 0.9771000      1.024000      158.7154      81.4   
1 1 1 17 28 21 o 33.89000       1.359000      814.9185      107.9  
1 1 1 17 28 22 o 3.735000       1.026000      305.7992      -65.7  
1 1 1 17 28 23 o 35.35000       1.321000      788.5722      -173.3 
1 1 1 17 28 24 o 0.9418000E-01  0.9642000     252.7028      -16.7  
1 1 1 17 28 25 o 4.595000       0.9306000     375.5662      -69.1  
1 1 1 17 28 26 o 0.8146000      0.9772000     298.2755      -32.3  
1 1 1 17 28 27 o 6.134000       1.033000      474.8234      24.8   
1 1 1 17 28 28 o 2.074000       0.9282000     221.2089      -111.7 
1 1 1 17 28 29 o 5.413000       0.9431000     487.3372      84.7   
1 1 1 17 28 30 o 5.174000       1.112000      400.5836      9.5    
1 1 1 17 28 31 o 11.53000       1.253000      475.8695      83.0   
1 1 1 17 28 32 o 10.31000       1.171000      409.8516      -110.5 
1 1 1 17 28 33 o 10.44000       1.126000      447.5036      -119.9 
1 1 1 17 28 34 o 1.413000       1.176000      400.0407      -50.8  
1 1 1 17 28 35 o 1.806000       1.324000      235.3413      92.5   
1 1 1 17 28 36 o 8.547000       1.247000      456.4863      125.7  
1 1 1 17 28 37 o 14.15000       1.317000      510.2749      103.7  
1 1 1 17 28 38 o 0.2988000      1.143000      170.7224      -159.2 
1 1 1 17 28 39 o 2.230000       1.173000      229.6323      -119.9 
1 1 1 17 28 40 o 1.063000       1.301000      145.2986      160.3  
1 1 1 17 28 41 o 6.799000       1.528000      464.4882      -175.3 
1 1 1 17 28 42 o 35.24000       1.774000      810.2806      134.3  
1 1 1 17 28 43 o 0.7634000      1.397000      221.7090      26.3   
1 1 1 17 28 44 o 2.322000       1.265000      207.2368      85.5   
1 1 1 17 28 45 o 0.9271000      1.279000      279.4040      -147.2 
1 1 1 17 28 46 o 7.979000       1.301000      381.4026      132.0  
1 1 1 17 28 47 o 5.971000       1.380000      470.0108      -90.8  
1 1 1 17 28 48 o 17.64000       1.702000      ?             ?      
1 1 1 17 28 49 o 6.853000       1.426000      ?             ?      
1 1 1 17 28 50 o 3.582000       1.246000      ?             ?      
1 1 1 17 28 51 o 7.925000       1.282000      ?             ?      
1 1 1 17 28 52 o 15.92000       1.489000      ?             ?      
1 1 1 17 28 53 o 0.2825000      1.238000      ?             ?      
1 1 1 17 28 54 o 0.5873000      1.344000      ?             ?      
1 1 1 17 28 55 o 10.44000       1.443000      ?             ?      
1 1 1 17 28 56 o 2.198000       1.448000      ?             ?      
1 1 1 17 28 57 o 3.921000       1.343000      ?             ?      
1 1 1 17 28 58 o 0.5265000      1.337000      ?             ?      
1 1 1 17 28 59 o -0.3834000     1.338000      ?             ?      
1 1 1 17 28 60 o 2.472000       1.465000      ?             ?      
1 1 1 17 28 61 o 0.4413000      1.358000      ?             ?      
1 1 1 17 28 62 o -0.9723000     1.360000      ?             ?      
1 1 1 17 28 63 o -0.1817000E-01 1.420000      ?             ?      
1 1 1 17 28 64 o -0.2417000     1.307000      ?             ?      
1 1 1 17 28 65 o 0.3699000      1.274000      ?             ?      
1 1 1 17 28 66 o 2.570000       1.791000      ?             ?      
1 1 1 17 29 0  o 4.256000       1.117000      442.3073      -90.0  
1 1 1 17 29 1  o 6.093000       0.8111000     144.4834      -89.1  
1 1 1 17 29 2  o 32.78000       1.218000      858.4991      38.0   
1 1 1 17 29 3  o 10.89000       0.8694000     88.93362      -66.6  
1 1 1 17 29 4  o 43.58000       1.357000      841.1085      -162.6 
1 1 1 17 29 5  o 0.1310000      0.8185000     308.0236      109.4  
1 1 1 17 29 6  o 5.692000       0.8744000     372.3228      -165.8 
1 1 1 17 29 7  o 14.32000       1.032000      380.7509      40.0   
1 1 1 17 29 8  o 16.15000       1.381000      537.1955      -138.3 
1 1 1 17 29 9  o 20.96000       1.253000      732.2205      -176.9 
1 1 1 17 29 10 o 12.50000       1.158000      429.2692      -55.9  
1 1 1 17 29 11 o 10.76000       1.158000      516.0389      44.7   
1 1 1 17 29 12 o 10.12000       1.441000      599.3815      169.9  
1 1 1 17 29 13 o 0.4774000      1.713000      360.4824      -12.8  
1 1 1 17 29 14 o 5.044000       1.004000      436.1120      129.6  
1 1 1 17 29 15 o 10.04000       1.106000      443.9060      -94.1  
1 1 1 17 29 16 o 15.26000       1.150000      638.2092      -51.5  
1 1 1 17 29 17 o 28.80000       1.310000      741.5853      -13.2  
1 1 1 17 29 18 o 14.11000       1.129000      494.9336      -126.3 
1 1 1 17 29 19 o 8.474000       1.065000      397.7597      132.2  
1 1 1 17 29 20 o 3.810000       1.032000      208.2452      1.2    
1 1 1 17 29 21 o 5.591000       1.028000      499.0504      -14.9  
1 1 1 17 29 22 f 7.732000       1.031000      578.6567      -150.2 
1 1 1 17 29 23 o 3.810000       1.018000      398.9667      127.0  
1 1 1 17 29 24 o 4.350000       0.9253000     216.7942      106.6  
1 1 1 17 29 25 o 2.373000       0.9323000     128.0887      83.5   
1 1 1 17 29 26 o 12.99000       1.040000      594.6937      115.1  
1 1 1 17 29 27 o 0.8668000      0.9375000     368.3732      -159.1 
1 1 1 17 29 28 o 6.435000       0.9506000     298.1860      -71.7  
1 1 1 17 29 29 o 28.66000       1.241000      738.4619      -81.6  
1 1 1 17 29 30 o 22.79000       1.213000      751.8614      115.8  
1 1 1 17 29 31 o 16.09000       1.253000      572.2664      -31.1  
1 1 1 17 29 32 o 8.382000       1.071000      464.0981      15.3   
1 1 1 17 29 33 o 21.20000       1.448000      776.5989      57.7   
1 1 1 17 29 34 o 3.115000       1.261000      239.9536      -103.7 
1 1 1 17 29 35 o 6.365000       1.195000      365.6848      -79.5  
1 1 1 17 29 36 o 1.509000       1.308000      127.3989      -146.1 
1 1 1 17 29 37 o -0.2211000     1.319000      181.6564      117.3  
1 1 1 17 29 38 o 1.478000       1.216000      159.6663      -86.0  
1 1 1 17 29 39 o 2.555000       1.184000      197.1671      56.0   
1 1 1 17 29 40 o 27.84000       1.453000      771.4262      170.9  
1 1 1 17 29 41 o 21.00000       1.530000      634.1450      -148.8 
1 1 1 17 29 42 o 21.66000       1.704000      622.4244      -168.8 
1 1 1 17 29 43 o 8.135000       1.467000      422.9368      -142.3 
1 1 1 17 29 44 o 21.21000       1.435000      702.3608      -58.4  
1 1 1 17 29 45 o 29.76000       1.537000      696.5817      -178.4 
1 1 1 17 29 46 o 2.359000       1.267000      184.9492      55.7   
1 1 1 17 29 47 o 0.3225000      1.398000      ?             ?      
1 1 1 17 29 48 o 1.345000       1.513000      ?             ?      
1 1 1 17 29 49 o 15.86000       1.447000      ?             ?      
1 1 1 17 29 50 o 1.868000       1.382000      ?             ?      
1 1 1 17 29 51 o 15.47000       1.368000      ?             ?      
1 1 1 17 29 52 o 4.838000       1.399000      ?             ?      
1 1 1 17 29 53 o 11.14000       1.295000      ?             ?      
1 1 1 17 29 54 o 4.462000       1.219000      ?             ?      
1 1 1 17 29 55 o 3.585000       1.312000      ?             ?      
1 1 1 17 29 56 o 1.898000       1.323000      ?             ?      
1 1 1 17 29 57 o 0.7252000E-01  1.416000      ?             ?      
1 1 1 17 29 58 o -1.010000      1.287000      ?             ?      
1 1 1 17 29 59 o 3.120000       1.222000      ?             ?      
1 1 1 17 29 60 o -0.6146000     1.332000      ?             ?      
1 1 1 17 29 61 o 1.706000       1.595000      ?             ?      
1 1 1 17 29 62 o 5.662000       1.736000      ?             ?      
1 1 1 17 29 63 o -0.5974000     1.397000      ?             ?      
1 1 1 17 29 64 o 3.487000       1.744000      ?             ?      
1 1 1 17 29 65 o 0.9296000      1.271000      ?             ?      
1 1 1 17 30 0  o 16.34000       1.280000      611.1629      -90.0  
1 1 1 17 30 1  o 44.62000       1.459000      895.4580      153.6  
1 1 1 17 30 2  o 30.89000       1.070000      861.5461      25.3   
1 1 1 17 30 3  o 0.8132000      0.8007000     144.5113      -177.3 
1 1 1 17 30 4  o 14.48000       0.9090000     396.0097      -86.6  
1 1 1 17 30 5  o 0.2113000      0.8077000     174.8917      33.7   
1 1 1 17 30 6  f 14.72000       1.004000      354.7993      14.9   
1 1 1 17 30 7  o 8.676000       0.9848000     249.2699      13.8   
1 1 1 17 30 8  o 11.22000       1.330000      276.3663      -118.5 
1 1 1 17 30 9  o 49.32000       1.656000      987.9460      116.3  
1 1 1 17 30 10 o 0.8261000      1.060000      128.6427      -149.3 
1 1 1 17 30 11 o 17.79000       1.529000      654.4050      -23.9  
1 1 1 17 30 12 o 15.82000       1.503000      603.0215      -134.2 
1 1 1 17 30 13 o 4.684000       1.115000      342.1910      -79.2  
1 1 1 17 30 14 o 4.650000       0.9962000     303.3975      -28.6  
1 1 1 17 30 15 o 2.554000       1.032000      283.5251      72.6   
1 1 1 17 30 16 o 6.834000       1.170000      233.0345      45.0   
1 1 1 17 30 17 o 16.85000       1.193000      668.4228      90.0   
1 1 1 17 30 18 o 27.22000       1.299000      832.3776      52.3   
1 1 1 17 30 19 o 9.720000       1.111000      542.2746      -118.0 
1 1 1 17 30 20 o 6.056000       1.052000      276.8139      65.1   
1 1 1 17 30 21 o 10.20000       1.058000      403.2304      60.7   
1 1 1 17 30 22 o 14.62000       1.101000      548.7870      -83.0  
1 1 1 17 30 23 o 9.682000       1.056000      509.3422      -167.9 
1 1 1 17 30 24 o 7.521000       1.051000      453.4659      -5.4   
1 1 1 17 30 25 o 12.68000       1.106000      455.5629      -12.7  
1 1 1 17 30 26 o 1.039000       0.9134000     187.7547      116.9  
1 1 1 17 30 27 o 5.522000       0.9099000     472.8670      5.1    
1 1 1 17 30 28 o 13.14000       1.011000      573.2023      -13.9  
1 1 1 17 30 29 o 0.2935000      0.9930000     176.3288      11.8   
1 1 1 17 30 30 o 13.98000       1.429000      488.9864      38.1   
1 1 1 17 30 31 o 12.03000       1.128000      562.2801      111.1  
1 1 1 17 30 32 o -1.839000      1.022000      152.0785      -8.9   
1 1 1 17 30 33 o 8.681000       1.054000      544.6296      -152.3 
1 1 1 17 30 34 o 20.11000       1.316000      664.4509      30.8   
1 1 1 17 30 35 o -3.090000      1.167000      182.3257      -105.6 
1 1 1 17 30 36 o 1.622000       1.408000      201.4615      29.3   
1 1 1 17 30 37 o 1.580000       1.337000      260.8659      -125.0 
1 1 1 17 30 38 o 4.432000       1.304000      259.2830      -107.9 
1 1 1 17 30 39 o 10.19000       1.256000      499.9381      -112.4 
1 1 1 17 30 40 o 15.13000       1.377000      509.0660      -133.1 
1 1 1 17 30 41 o 0.1985000      1.486000      216.4360      -41.4  
1 1 1 17 30 42 o 1.840000       1.383000      385.5733      65.9   
1 1 1 17 30 43 o 21.17000       1.695000      669.5536      -61.3  
1 1 1 17 30 44 o 0.9453000      1.408000      157.6299      -22.3  
1 1 1 17 30 45 o -0.5157000     1.255000      190.9471      53.7   
1 1 1 17 30 46 o 6.885000       1.342000      458.7538      -91.0  
1 1 1 17 30 47 o 6.952000       1.705000      ?             ?      
1 1 1 17 30 48 o 11.08000       1.638000      ?             ?      
1 1 1 17 30 49 o 4.832000       1.385000      ?             ?      
1 1 1 17 30 50 o 3.508000       1.376000      ?             ?      
1 1 1 17 30 51 o 4.394000       1.235000      ?             ?      
1 1 1 17 30 52 o 3.209000       1.331000      ?             ?      
1 1 1 17 30 53 o 3.161000       1.307000      ?             ?      
1 1 1 17 30 54 o -0.1984000     1.301000      ?             ?      
1 1 1 17 30 55 o 1.311000       1.188000      ?             ?      
1 1 1 17 30 56 o 0.5448000      1.307000      ?             ?      
1 1 1 17 30 57 o -0.6172000     1.388000      ?             ?      
1 1 1 17 30 58 o -0.3771000     1.281000      ?             ?      
1 1 1 17 30 59 o 3.083000       1.222000      ?             ?      
1 1 1 17 30 60 o 3.400000       1.384000      ?             ?      
1 1 1 17 30 61 o 1.629000       1.733000      ?             ?      
1 1 1 17 30 62 o -0.2956000     1.608000      ?             ?      
1 1 1 17 30 63 o 3.425000       1.330000      ?             ?      
1 1 1 17 30 64 o 2.115000       1.272000      ?             ?      
1 1 1 17 30 65 o 3.315000       1.429000      ?             ?      
1 1 1 17 31 0  o 0.6263000      1.115000      70.72264      -90.0  
1 1 1 17 31 1  o 14.32000       0.8851000     752.5847      44.2   
1 1 1 17 31 2  o 4.786000       0.8112000     325.3683      59.8   
1 1 1 17 31 3  o 3.648000       0.8173000     136.5679      66.5   
1 1 1 17 31 4  o 10.13000       0.8712000     431.3333      128.3  
1 1 1 17 31 5  o 1.285000       0.8242000     193.2615      144.7  
1 1 1 17 31 6  o 20.52000       1.078000      704.6390      41.0   
1 1 1 17 31 7  o 3.997000       0.9949000     270.8825      -76.0  
1 1 1 17 31 8  o 25.00000       1.661000      706.7238      -138.4 
1 1 1 17 31 9  o 19.56000       1.350000      643.6272      -27.2  
1 1 1 17 31 10 o 6.917000       1.071000      553.5861      15.7   
1 1 1 17 31 11 o 2.053000       1.328000      263.7234      59.7   
1 1 1 17 31 12 o 32.02000       1.309000      698.8806      74.0   
1 1 1 17 31 13 o 11.95000       1.120000      532.5045      27.0   
1 1 1 17 31 14 o 5.225000       1.087000      441.2892      -120.2 
1 1 1 17 31 15 o 14.00000       1.143000      477.6313      161.9  
1 1 1 17 31 16 o 17.29000       1.214000      685.2373      173.0  
1 1 1 17 31 17 o 35.25000       1.425000      766.4309      29.6   
1 1 1 17 31 18 o 1.918000       1.054000      324.7437      57.3   
1 1 1 17 31 19 o 22.96000       1.363000      742.8807      99.6   
1 1 1 17 31 20 o 8.451000       1.066000      454.5868      0.6    
1 1 1 17 31 21 o 0.2080000      1.004000      109.1148      13.5   
1 1 1 17 31 22 o 36.71000       1.385000      1006.006      -132.6 
1 1 1 17 31 23 o 14.03000       1.116000      655.0683      111.6  
1 1 1 17 31 24 o 15.59000       1.140000      578.1047      67.6   
1 1 1 17 31 25 o 1.889000       1.063000      183.4066      27.6   
1 1 1 17 31 26 o 20.17000       1.103000      707.4874      96.6   
1 1 1 17 31 27 o 11.96000       0.9632000     458.6218      -54.6  
1 1 1 17 31 28 o 1.854000       0.9337000     214.0188      115.3  
1 1 1 17 31 29 o -0.3623000     0.9497000     258.7733      -168.8 
1 1 1 17 31 30 o 0.6205000      0.9821000     203.9933      77.9   
1 1 1 17 31 31 o -1.235000      0.9369000     113.6872      -17.1  
1 1 1 17 31 32 o 1.616000       0.9539000     203.2614      -151.1 
1 1 1 17 31 33 o 9.030000       1.059000      307.0040      117.2  
1 1 1 17 31 34 o 1.468000       1.015000      386.6894      -51.5  
1 1 1 17 31 35 o 48.32000       1.963000      979.9004      114.8  
1 1 1 17 31 36 o 18.58000       1.519000      744.6747      -18.6  
1 1 1 17 31 37 o 3.884000       1.305000      170.0273      3.7    
1 1 1 17 31 38 o -1.583000      1.260000      94.42572      -156.4 
1 1 1 17 31 39 o 5.050000       1.247000      355.1336      -173.2 
1 1 1 17 31 40 o 4.589000       1.251000      370.6208      -4.4   
1 1 1 17 31 41 o 1.102000       1.217000      92.93739      36.6   
1 1 1 17 31 42 o 7.787000       1.404000      430.4574      121.8  
1 1 1 17 31 43 o 9.456000       1.669000      427.4749      -136.3 
1 1 1 17 31 44 o -1.591000      1.421000      48.36318      -112.1 
1 1 1 17 31 45 o 3.632000       1.419000      297.8763      159.4  
1 1 1 17 31 46 o 32.62000       1.971000      ?             ?      
1 1 1 17 31 47 o 6.155000       1.879000      ?             ?      
1 1 1 17 31 48 o 3.425000       1.400000      ?             ?      
1 1 1 17 31 49 o -0.1009000E-01 1.193000      ?             ?      
1 1 1 17 31 50 o 4.329000       1.342000      ?             ?      
1 1 1 17 31 51 o 3.593000       1.318000      ?             ?      
1 1 1 17 31 52 o 6.331000       1.367000      ?             ?      
1 1 1 17 31 53 o 3.951000       1.202000      ?             ?      
1 1 1 17 31 54 o 0.1269000      1.154000      ?             ?      
1 1 1 17 31 55 o 0.4891000      1.156000      ?             ?      
1 1 1 17 31 56 o 1.674000       1.180000      ?             ?      
1 1 1 17 31 57 o 1.383000       1.340000      ?             ?      
1 1 1 17 31 58 o -0.6878000     1.408000      ?             ?      
1 1 1 17 31 59 o 2.134000       1.325000      ?             ?      
1 1 1 17 31 60 o 4.437000       1.302000      ?             ?      
1 1 1 17 31 61 o 0.9448000      2.000000      ?             ?      
1 1 1 17 31 62 o 4.504000       1.851000      ?             ?      
1 1 1 17 31 63 o -0.8538000     1.378000      ?             ?      
1 1 1 17 31 64 o -0.2790000     1.259000      ?             ?      
1 1 1 17 32 0  o 16.36000       1.309000      535.6789      90.0   
1 1 1 17 32 1  o 18.28000       1.083000      677.3879      142.9  
1 1 1 17 32 2  o 7.013000       0.8256000     425.8387      -45.1  
1 1 1 17 32 3  o 1.546000       0.8167000     250.4251      159.0  
1 1 1 17 32 4  o 8.085000       0.8557000     411.3164      140.8  
1 1 1 17 32 5  o 19.24000       1.040000      671.9463      120.2  
1 1 1 17 32 6  o 7.995000       1.091000      365.9358      3.2    
1 1 1 17 32 7  o 2.119000       0.9633000     89.39551      -58.7  
1 1 1 17 32 8  o -0.8122000     0.9022000     224.0248      -165.8 
1 1 1 17 32 9  o 2.805000       1.035000      168.0163      113.6  
1 1 1 17 32 10 o 16.81000       1.188000      671.3754      -47.9  
1 1 1 17 32 11 o 7.258000       1.365000      437.3261      118.8  
1 1 1 17 32 12 o 29.23000       1.613000      784.2875      147.0  
1 1 1 17 32 13 o 10.56000       1.102000      308.1028      -33.3  
1 1 1 17 32 14 o 10.30000       1.099000      501.3680      -91.0  
1 1 1 17 32 15 o 34.03000       1.539000      898.4449      -83.8  
1 1 1 17 32 16 o 20.63000       1.218000      557.8272      140.1  
1 1 1 17 32 17 o 4.228000       1.068000      377.1503      29.7   
1 1 1 17 32 18 o 3.833000       1.043000      472.4030      148.7  
1 1 1 17 32 19 o 29.74000       1.326000      730.0480      -98.1  
1 1 1 17 32 20 o 6.255000       1.048000      302.5843      -42.5  
1 1 1 17 32 21 o -0.1741000     1.002000      142.0486      44.7   
1 1 1 17 32 22 o 7.219000       1.082000      556.4127      -139.9 
1 1 1 17 32 23 o 4.940000       1.014000      433.9979      176.6  
1 1 1 17 32 24 o 9.899000       1.088000      463.4409      -162.0 
1 1 1 17 32 25 o 4.062000       1.086000      128.4774      80.6   
1 1 1 17 32 26 o 1.136000       1.065000      202.5171      114.1  
1 1 1 17 32 27 o 6.812000       0.9738000     247.5746      -117.4 
1 1 1 17 32 28 o 6.060000       0.9643000     323.8195      0.9    
1 1 1 17 32 29 o 1.914000       0.9761000     222.9761      -10.5  
1 1 1 17 32 30 o 8.195000       1.004000      406.7020      54.2   
1 1 1 17 32 31 o 4.454000       0.9577000     352.0403      -151.5 
1 1 1 17 32 32 o 8.288000       1.090000      429.7149      -130.9 
1 1 1 17 32 33 o 1.518000       0.9414000     155.1090      -173.6 
1 1 1 17 32 34 o 3.323000       0.9969000     227.1391      111.3  
1 1 1 17 32 35 o 24.96000       1.534000      664.8832      70.4   
1 1 1 17 32 36 o 0.2426000      1.241000      144.7300      -93.6  
1 1 1 17 32 37 o 0.2320000      1.282000      82.35018      -47.2  
1 1 1 17 32 38 o 1.293000       1.183000      341.6156      -170.0 
1 1 1 17 32 39 o 1.341000       1.290000      325.0766      146.3  
1 1 1 17 32 40 o -1.401000      1.222000      195.6128      -34.4  
1 1 1 17 32 41 o 4.715000       1.223000      361.9973      125.9  
1 1 1 17 32 42 o 25.48000       1.611000      707.3179      -132.4 
1 1 1 17 32 43 o 3.584000       1.606000      317.5405      -32.7  
1 1 1 17 32 44 o 9.139000       1.634000      406.6358      -56.0  
1 1 1 17 32 45 o 11.33000       1.679000      ?             ?      
1 1 1 17 32 46 o -0.7371000     1.827000      ?             ?      
1 1 1 17 32 47 o -3.092000      1.403000      ?             ?      
1 1 1 17 32 48 o 1.328000       1.302000      ?             ?      
1 1 1 17 32 49 o 13.45000       1.405000      ?             ?      
1 1 1 17 32 50 o 3.376000       1.322000      ?             ?      
1 1 1 17 32 51 o 7.638000       1.215000      ?             ?      
1 1 1 17 32 52 o 0.3078000      1.157000      ?             ?      
1 1 1 17 32 53 o 0.8780000      1.150000      ?             ?      
1 1 1 17 32 54 o -0.6834000     1.147000      ?             ?      
1 1 1 17 32 55 o 3.092000       1.171000      ?             ?      
1 1 1 17 32 56 o -0.7263000E-01 1.172000      ?             ?      
1 1 1 17 32 57 o 1.529000       1.331000      ?             ?      
1 1 1 17 32 58 o 0.5699000E-01  1.422000      ?             ?      
1 1 1 17 32 59 o 0.1580000      1.312000      ?             ?      
1 1 1 17 32 60 o 3.457000       1.378000      ?             ?      
1 1 1 17 32 61 o -0.6887000E-01 1.404000      ?             ?      
1 1 1 17 32 62 o 0.9742000      1.416000      ?             ?      
1 1 1 17 32 63 o -0.8649000     1.382000      ?             ?      
1 1 1 17 33 0  o 9.259000       1.194000      738.9760      90.0   
1 1 1 17 33 1  o 1.807000       0.7846000     340.4775      27.9   
1 1 1 17 33 2  o 4.498000       0.8296000     307.5505      -15.5  
1 1 1 17 33 3  o 3.146000       0.8383000     173.9632      -36.7  
1 1 1 17 33 4  o 10.15000       0.9838000     407.4210      108.3  
1 1 1 17 33 5  o 7.344000       0.9216000     352.5275      65.0   
1 1 1 17 33 6  o 2.336000       0.9599000     117.9488      62.7   
1 1 1 17 33 7  o 0.1789000      0.9017000     181.7400      155.3  
1 1 1 17 33 8  o 15.76000       1.039000      596.2831      -19.8  
1 1 1 17 33 9  o 3.121000       1.015000      338.4072      79.2   
1 1 1 17 33 10 o 5.650000       1.276000      296.0564      -104.9 
1 1 1 17 33 11 o -1.614000      1.281000      305.2533      14.6   
1 1 1 17 33 12 o 19.64000       1.317000      631.8338      148.2  
1 1 1 17 33 13 o 3.839000       1.044000      221.9187      29.5   
1 1 1 17 33 14 o 3.828000       1.045000      343.8757      -17.2  
1 1 1 17 33 15 o 6.098000       1.075000      462.0027      98.7   
1 1 1 17 33 16 o 19.09000       1.284000      589.5663      28.8   
1 1 1 17 33 17 o -1.095000      1.008000      152.5307      -91.2  
1 1 1 17 33 18 o 3.994000       1.028000      245.6703      103.3  
1 1 1 17 33 19 o 2.931000       1.026000      185.0638      108.7  
1 1 1 17 33 20 o 11.46000       1.221000      619.0790      12.7   
1 1 1 17 33 21 o 15.59000       1.116000      532.1165      1.3    
1 1 1 17 33 22 o 6.446000       1.034000      392.5107      -128.1 
1 1 1 17 33 23 o 13.13000       1.074000      665.1571      56.7   
1 1 1 17 33 24 o 9.256000       1.058000      578.7236      -168.2 
1 1 1 17 33 25 o 15.63000       1.180000      729.1797      -25.6  
1 1 1 17 33 26 o 10.91000       1.151000      605.2392      48.4   
1 1 1 17 33 27 o 7.549000       1.210000      419.6137      123.8  
1 1 1 17 33 28 o 4.056000       1.181000      220.7989      81.3   
1 1 1 17 33 29 o 11.55000       1.046000      457.4535      -3.9   
1 1 1 17 33 30 o 0.9764000E-01  0.9483000     127.9718      133.9  
1 1 1 17 33 31 o 0.7832000      0.9192000     278.6503      -135.7 
1 1 1 17 33 32 o -0.1994000     0.9365000     37.68952      -98.7  
1 1 1 17 33 33 o 10.02000       1.028000      562.3671      122.1  
1 1 1 17 33 34 o 0.9149000E-01  0.9752000     51.92127      109.5  
1 1 1 17 33 35 o 2.448000       1.035000      405.6657      94.1   
1 1 1 17 33 36 o 16.67000       1.325000      605.3298      -11.6  
1 1 1 17 33 37 o 2.969000       1.293000      286.4390      -62.7  
1 1 1 17 33 38 o 6.880000       1.432000      382.6261      80.3   
1 1 1 17 33 39 o 0.5392000E-01  1.276000      197.0714      -34.5  
1 1 1 17 33 40 o 32.34000       1.510000      887.0624      -21.5  
1 1 1 17 33 41 o 2.999000       1.324000      266.3879      35.1   
1 1 1 17 33 42 o -0.4417000     1.242000      100.8169      145.8  
1 1 1 17 33 43 o 7.171000       1.416000      432.9312      -29.8  
1 1 1 17 33 44 o 3.944000       1.383000      ?             ?      
1 1 1 17 33 45 o -1.095000      1.867000      ?             ?      
1 1 1 17 33 46 o 5.911000       1.885000      ?             ?      
1 1 1 17 33 47 o 5.761000       1.447000      ?             ?      
1 1 1 17 33 48 o 0.2335000      1.316000      ?             ?      
1 1 1 17 33 49 o 4.779000       1.266000      ?             ?      
1 1 1 17 33 50 o 2.211000       1.209000      ?             ?      
1 1 1 17 33 51 o 0.2117000      1.214000      ?             ?      
1 1 1 17 33 52 o 3.556000       1.159000      ?             ?      
1 1 1 17 33 53 o 7.407000       1.183000      ?             ?      
1 1 1 17 33 54 o 2.993000       1.157000      ?             ?      
1 1 1 17 33 55 o 2.042000       1.179000      ?             ?      
1 1 1 17 33 56 o 3.028000       1.184000      ?             ?      
1 1 1 17 33 57 o 4.080000       1.220000      ?             ?      
1 1 1 17 33 58 o -0.6898000     1.348000      ?             ?      
1 1 1 17 33 59 o 3.340000       1.593000      ?             ?      
1 1 1 17 33 60 o 2.815000       1.896000      ?             ?      
1 1 1 17 33 61 o 0.7904000      1.368000      ?             ?      
1 1 1 17 33 62 o 0.7260000      1.364000      ?             ?      
1 1 1 17 33 63 o 0.3586000      1.496000      ?             ?      
1 1 1 17 34 0  o 34.73000       1.672000      624.8488      90.0   
1 1 1 17 34 1  o 3.130000       0.8031000     284.6860      119.0  
1 1 1 17 34 2  o 0.2238000      0.7998000     183.3125      -150.0 
1 1 1 17 34 3  o 9.506000       0.8785000     441.6430      116.7  
1 1 1 17 34 4  o 1.772000       0.8671000     8.984221      -96.7  
1 1 1 17 34 5  o 0.2433000      0.9555000     141.0109      132.7  
1 1 1 17 34 6  o 11.37000       1.003000      582.9005      88.3   
1 1 1 17 34 7  o 3.162000       0.9231000     209.6469      10.8   
1 1 1 17 34 8  o 39.14000       1.414000      979.6547      -151.8 
1 1 1 17 34 9  o 5.189000       1.020000      383.1257      -58.9  
1 1 1 17 34 10 o 0.6251000      1.198000      382.2775      154.7  
1 1 1 17 34 11 o 15.67000       1.394000      621.7062      159.2  
1 1 1 17 34 12 o 21.45000       1.240000      718.3243      47.8   
1 1 1 17 34 13 o 8.374000       1.142000      436.3918      -49.8  
1 1 1 17 34 14 o 35.15000       1.536000      741.4730      -142.8 
1 1 1 17 34 15 o 1.573000       1.016000      239.9274      82.7   
1 1 1 17 34 16 o -2.162000      1.094000      142.8857      61.9   
1 1 1 17 34 17 o -0.6610000     1.114000      47.14489      -28.6  
1 1 1 17 34 18 o 12.71000       1.096000      383.2325      131.5  
1 1 1 17 34 19 o -0.8962000     0.9898000     58.54848      61.9   
1 1 1 17 34 20 o 13.25000       1.105000      603.0994      162.8  
1 1 1 17 34 21 o 0.1408000      1.007000      179.2004      63.7   
1 1 1 17 34 22 o 1.055000       1.021000      110.6596      -168.2 
1 1 1 17 34 23 o 4.233000       1.029000      499.8603      -113.3 
1 1 1 17 34 24 o 4.618000       1.048000      375.0045      93.1   
1 1 1 17 34 25 o 5.822000       1.019000      449.2106      -123.2 
1 1 1 17 34 26 o 2.837000       0.9482000     280.9192      152.1  
1 1 1 17 34 27 o 1.014000       1.128000      219.8833      -138.9 
1 1 1 17 34 28 o 1.215000       1.059000      175.4782      103.6  
1 1 1 17 34 29 o 2.197000       1.241000      291.8362      69.8   
1 1 1 17 34 30 o 9.761000       1.065000      465.4793      142.8  
1 1 1 17 34 31 o 16.83000       1.099000      669.6041      -140.1 
1 1 1 17 34 32 o -0.1463000     0.9465000     128.8395      -144.7 
1 1 1 17 34 33 o -0.2772000E-01 0.9899000     191.0577      0.7    
1 1 1 17 34 34 o 27.03000       1.449000      751.7075      154.7  
1 1 1 17 34 35 o 40.20000       1.661000      1001.859      77.2   
1 1 1 17 34 36 o 6.274000       1.085000      272.3684      151.2  
1 1 1 17 34 37 o 4.977000       1.227000      459.2080      -175.8 
1 1 1 17 34 38 o 7.761000       1.773000      392.6161      100.8  
1 1 1 17 34 39 o 25.43000       1.623000      785.6497      86.4   
1 1 1 17 34 40 o -1.374000      1.289000      193.5437      -120.6 
1 1 1 17 34 41 o 18.04000       1.716000      717.3417      110.5  
1 1 1 17 34 42 o -2.376000      1.260000      57.56515      105.7  
1 1 1 17 34 43 o -0.1478000     1.171000      ?             ?      
1 1 1 17 34 44 o 0.9970000      1.618000      ?             ?      
1 1 1 17 34 45 o -0.2149000E-02 1.957000      ?             ?      
1 1 1 17 34 46 o 5.518000       2.158000      ?             ?      
1 1 1 17 34 47 o 1.910000       1.329000      ?             ?      
1 1 1 17 34 48 o 7.714000       1.204000      ?             ?      
1 1 1 17 34 49 o 2.056000       1.200000      ?             ?      
1 1 1 17 34 50 o 0.7142000      1.186000      ?             ?      
1 1 1 17 34 51 o 2.032000       1.150000      ?             ?      
1 1 1 17 34 52 o 4.606000       1.226000      ?             ?      
1 1 1 17 34 53 o 0.4959000      1.212000      ?             ?      
1 1 1 17 34 54 o 1.219000       1.217000      ?             ?      
1 1 1 17 34 55 o -0.1081000     1.145000      ?             ?      
1 1 1 17 34 56 o -1.136000      1.161000      ?             ?      
1 1 1 17 34 57 o 2.943000       1.196000      ?             ?      
1 1 1 17 34 58 o 2.303000       1.341000      ?             ?      
1 1 1 17 34 59 o 5.401000       1.733000      ?             ?      
1 1 1 17 34 60 o 2.327000       1.587000      ?             ?      
1 1 1 17 34 61 o 1.571000       1.272000      ?             ?      
1 1 1 17 34 62 o 1.512000       1.235000      ?             ?      
1 1 1 17 35 0  o 1.113000       1.131000      311.2740      90.0   
1 1 1 17 35 1  o 5.048000       0.8149000     365.9221      -41.1  
1 1 1 17 35 2  f -0.1115000     0.7934000     127.2536      92.1   
1 1 1 17 35 3  o 0.9474000      0.8636000     143.6040      92.3   
1 1 1 17 35 4  o 0.8478000      0.8754000     80.87864      101.3  
1 1 1 17 35 5  o 1.531000       0.9744000     185.5551      -67.0  
1 1 1 17 35 6  o 6.844000       0.9708000     471.4051      -99.9  
1 1 1 17 35 7  o 7.372000       0.8991000     508.2968      133.2  
1 1 1 17 35 8  o 3.499000       0.9228000     381.0219      -129.1 
1 1 1 17 35 9  o 3.373000       1.175000      317.8212      -120.4 
1 1 1 17 35 10 o -0.3908000     1.171000      227.3728      63.0   
1 1 1 17 35 11 o 5.481000       1.047000      289.6193      159.0  
1 1 1 17 35 12 o 6.745000       1.157000      399.2003      -165.7 
1 1 1 17 35 13 o 20.16000       1.328000      714.2962      105.0  
1 1 1 17 35 14 o 3.915000       1.042000      321.2333      -38.2  
1 1 1 17 35 15 o 3.560000       1.025000      359.4752      143.2  
1 1 1 17 35 16 o 5.550000       1.169000      253.1323      179.4  
1 1 1 17 35 17 o 18.81000       1.313000      720.0247      -155.6 
1 1 1 17 35 18 o 8.010000       1.205000      538.6465      170.6  
1 1 1 17 35 19 o 2.863000       1.021000      225.1537      -146.5 
1 1 1 17 35 20 o 3.241000       1.037000      249.1146      130.1  
1 1 1 17 35 21 o 16.54000       1.165000      526.6907      24.6   
1 1 1 17 35 22 o 5.460000       1.056000      305.8814      85.8   
1 1 1 17 35 23 o 1.281000       1.034000      179.0226      -21.0  
1 1 1 17 35 24 o 3.738000       1.047000      372.9057      -92.8  
1 1 1 17 35 25 o 4.073000       1.045000      250.4693      127.0  
1 1 1 17 35 26 o -1.511000      1.149000      66.56569      -143.7 
1 1 1 17 35 27 o 4.229000       1.218000      373.6967      -166.2 
1 1 1 17 35 28 o 0.1860000      1.082000      132.4153      49.3   
1 1 1 17 35 29 o 0.9411000      1.223000      212.2906      -173.2 
1 1 1 17 35 30 o 0.8306000      1.173000      167.0086      -20.5  
1 1 1 17 35 31 o 3.626000       0.9199000     217.3133      -41.0  
1 1 1 17 35 32 o 9.253000       0.9801000     439.2262      73.1   
1 1 1 17 35 33 o 4.137000       0.9725000     294.0689      -172.9 
1 1 1 17 35 34 o 5.388000       1.013000      283.8987      140.0  
1 1 1 17 35 35 o 6.156000       1.038000      394.1374      -125.9 
1 1 1 17 35 36 o -1.229000      1.212000      127.1327      -132.6 
1 1 1 17 35 37 o -2.085000      1.670000      116.5443      13.0   
1 1 1 17 35 38 o 0.6682000      1.441000      318.0370      69.0   
1 1 1 17 35 39 o 3.915000       1.506000      300.9585      -106.6 
1 1 1 17 35 40 o 4.238000       1.191000      220.2677      -151.3 
1 1 1 17 35 41 o 0.1776000      1.179000      141.9396      82.8   
1 1 1 17 35 42 o 2.066000       1.175000      ?             ?      
1 1 1 17 35 43 o -1.375000      1.379000      ?             ?      
1 1 1 17 35 44 o 4.389000       1.555000      ?             ?      
1 1 1 17 35 45 o 10.32000       1.909000      ?             ?      
1 1 1 17 35 46 o 4.453000       1.567000      ?             ?      
1 1 1 17 35 47 o 0.7592000      1.303000      ?             ?      
1 1 1 17 35 48 o -0.7755000     1.190000      ?             ?      
1 1 1 17 35 49 o -0.8070000E-01 1.157000      ?             ?      
1 1 1 17 35 50 o 1.008000       1.119000      ?             ?      
1 1 1 17 35 51 o 4.861000       1.152000      ?             ?      
1 1 1 17 35 52 o 0.5561000      1.173000      ?             ?      
1 1 1 17 35 53 o 1.580000       1.179000      ?             ?      
1 1 1 17 35 54 o 1.573000       1.146000      ?             ?      
1 1 1 17 35 55 o -0.4931000     1.150000      ?             ?      
1 1 1 17 35 56 o 2.218000       1.252000      ?             ?      
1 1 1 17 35 57 o 3.535000       1.281000      ?             ?      
1 1 1 17 35 58 o -2.353000      1.226000      ?             ?      
1 1 1 17 35 59 o -0.1464000     1.564000      ?             ?      
1 1 1 17 35 60 o -2.102000      2.384000      ?             ?      
1 1 1 17 35 61 o -1.877000      1.329000      ?             ?      
1 1 1 17 36 0  o 8.742000       1.485000      563.8343      90.0   
1 1 1 17 36 1  o 3.850000       0.8241000     414.1260      111.0  
1 1 1 17 36 2  o 0.1042000      0.8225000     146.9171      -58.3  
1 1 1 17 36 3  o 12.02000       0.9853000     462.3121      161.7  
1 1 1 17 36 4  o 9.908000       1.027000      427.9321      7.5    
1 1 1 17 36 5  o 6.727000       0.9633000     323.1127      0.7    
1 1 1 17 36 6  o 3.330000       0.9502000     292.7537      -116.9 
1 1 1 17 36 7  o 20.15000       1.043000      700.7229      -76.2  
1 1 1 17 36 8  o 5.550000       0.9405000     493.3791      -145.8 
1 1 1 17 36 9  o 0.2381000      1.193000      16.21423      96.0   
1 1 1 17 36 10 o 11.99000       1.069000      358.9584      -146.5 
1 1 1 17 36 11 o 2.612000       0.9957000     255.3810      -43.7  
1 1 1 17 36 12 o -0.9169000     0.9989000     184.7799      -25.4  
1 1 1 17 36 13 o 15.30000       1.141000      440.3474      176.7  
1 1 1 17 36 14 o 3.847000       1.070000      348.7852      -161.6 
1 1 1 17 36 15 o 20.78000       1.358000      647.4534      9.6    
1 1 1 17 36 16 o -0.5438000     1.141000      185.9124      -50.1  
1 1 1 17 36 17 o 2.030000       1.169000      138.4593      179.3  
1 1 1 17 36 18 o 9.167000       1.232000      372.3567      -129.6 
1 1 1 17 36 19 o 0.3106000      1.178000      149.2738      -75.1  
1 1 1 17 36 20 o 1.112000       1.037000      207.2429      -136.7 
1 1 1 17 36 21 o 0.3635000      1.048000      105.1382      97.8   
1 1 1 17 36 22 o 0.8318000      1.066000      272.4986      12.7   
1 1 1 17 36 23 o 16.69000       1.210000      561.6187      -82.7  
1 1 1 17 36 24 o 6.090000       1.156000      414.5930      -107.8 
1 1 1 17 36 25 o 1.451000       1.246000      136.0777      -73.7  
1 1 1 17 36 26 o 0.8951000      1.220000      193.5231      -1.3   
1 1 1 17 36 27 o -0.3493000     1.093000      217.7100      -130.1 
1 1 1 17 36 28 o -0.3851000     1.258000      83.57881      -125.3 
1 1 1 17 36 29 o 19.88000       1.491000      585.1639      96.6   
1 1 1 17 36 30 o 5.357000       1.144000      312.2026      152.7  
1 1 1 17 36 31 o -1.630000      1.182000      66.37363      84.1   
1 1 1 17 36 32 o 0.8399000      0.9178000     204.7961      -143.2 
1 1 1 17 36 33 o 0.7158000      0.9513000     103.7911      -137.7 
1 1 1 17 36 34 o 8.421000       1.250000      349.1132      164.3  
1 1 1 17 36 35 o 1.364000       1.053000      134.5679      34.4   
1 1 1 17 36 36 o 10.23000       1.302000      477.6151      153.1  
1 1 1 17 36 37 o 0.6222000      1.078000      237.0435      -169.8 
1 1 1 17 36 38 o 0.8978000      1.191000      125.8714      -29.4  
1 1 1 17 36 39 o 2.116000       1.307000      293.8469      129.0  
1 1 1 17 36 40 o 2.967000       1.329000      375.4561      146.1  
1 1 1 17 36 41 o 1.736000       1.304000      ?             ?      
1 1 1 17 36 42 o -0.3323000     1.051000      ?             ?      
1 1 1 17 36 43 o -0.2632000     1.098000      ?             ?      
1 1 1 17 36 44 o 3.100000       1.289000      ?             ?      
1 1 1 17 36 45 o 1.161000       1.179000      ?             ?      
1 1 1 17 36 46 o 7.903000       1.359000      ?             ?      
1 1 1 17 36 47 o 10.26000       1.652000      ?             ?      
1 1 1 17 36 48 o 1.310000       1.327000      ?             ?      
1 1 1 17 36 49 o -0.2400000E-01 1.192000      ?             ?      
1 1 1 17 36 50 o -0.1050000     1.101000      ?             ?      
1 1 1 17 36 51 o 0.9252000      1.143000      ?             ?      
1 1 1 17 36 52 o 1.082000       1.165000      ?             ?      
1 1 1 17 36 53 o 2.056000       1.147000      ?             ?      
1 1 1 17 36 54 o -0.1788000     1.141000      ?             ?      
1 1 1 17 36 55 o 2.788000       1.197000      ?             ?      
1 1 1 17 36 56 o 2.466000       1.223000      ?             ?      
1 1 1 17 36 57 o 1.298000       1.271000      ?             ?      
1 1 1 17 36 58 o -0.7395000     1.290000      ?             ?      
1 1 1 17 36 59 o 1.987000       1.679000      ?             ?      
1 1 1 17 36 60 o 2.675000       1.730000      ?             ?      
1 1 1 17 36 61 o 6.156000       4.358000      ?             ?      
1 1 1 17 37 0  o -1.120000      1.124000      82.65025      -90.0  
1 1 1 17 37 1  o -0.9877000     0.8141000     103.8411      163.8  
1 1 1 17 37 2  o 4.141000       0.9123000     220.8023      -152.8 
1 1 1 17 37 3  o 3.139000       0.9262000     362.0720      -66.1  
1 1 1 17 37 4  o 3.942000       1.148000      332.0106      -77.2  
1 1 1 17 37 5  o 5.080000       0.9442000     397.2552      51.5   
1 1 1 17 37 6  o 3.194000       0.8559000     334.5615      66.9   
1 1 1 17 37 7  o 2.858000       0.8969000     281.0108      124.5  
1 1 1 17 37 8  o 2.063000       0.9528000     224.8456      36.9   
1 1 1 17 37 9  o -0.1385000     1.225000      69.50361      19.3   
1 1 1 17 37 10 o 3.948000       1.095000      232.2859      -12.6  
1 1 1 17 37 11 o 6.510000       1.018000      278.5110      -151.4 
1 1 1 17 37 12 o 1.466000       0.9736000     140.4599      117.4  
1 1 1 17 37 13 o 7.294000       1.019000      429.5266      90.3   
1 1 1 17 37 14 o 0.2676000      0.9713000     76.24826      -88.0  
1 1 1 17 37 15 o -1.397000      0.9872000     81.80542      -18.4  
1 1 1 17 37 16 o 3.430000       1.166000      224.5297      -137.5 
1 1 1 17 37 17 o 4.503000       1.215000      177.2934      153.8  
1 1 1 17 37 18 f 5.278000       1.236000      348.1323      -166.8 
1 1 1 17 37 19 o 1.907000       1.232000      109.3677      -62.6  
1 1 1 17 37 20 o 6.699000       1.273000      403.0890      41.2   
1 1 1 17 37 21 o 1.644000       1.087000      197.6302      -1.6   
1 1 1 17 37 22 o 0.9684000      1.106000      98.87437      -156.7 
1 1 1 17 37 23 o 9.940000       1.184000      540.0329      39.6   
1 1 1 17 37 24 o 1.456000       1.140000      104.9591      -175.6 
1 1 1 17 37 25 o 3.096000       1.344000      223.0828      -120.1 
1 1 1 17 37 26 o 5.301000       1.426000      371.3863      156.9  
1 1 1 17 37 27 o 2.539000       1.169000      228.3718      -167.0 
1 1 1 17 37 28 o 1.556000       1.327000      194.2563      -139.5 
1 1 1 17 37 29 o 0.4203000      1.353000      181.0961      -132.0 
1 1 1 17 37 30 o 3.749000       1.199000      279.0348      44.7   
1 1 1 17 37 31 o 1.724000       1.177000      192.3065      -57.5  
1 1 1 17 37 32 o 0.6243000      1.167000      132.5457      -155.3 
1 1 1 17 37 33 o 1.994000       1.044000      205.2150      11.8   
1 1 1 17 37 34 o 1.974000       1.106000      112.1332      124.2  
1 1 1 17 37 35 o 21.71000       1.367000      685.2516      -126.3 
1 1 1 17 37 36 o 0.3816000E-01  1.045000      54.03718      80.7   
1 1 1 17 37 37 o 0.2632000      1.119000      108.9799      -107.9 
1 1 1 17 37 38 o 1.137000       1.193000      87.26379      141.7  
1 1 1 17 37 39 o 2.204000       1.197000      ?             ?      
1 1 1 17 37 40 o 1.675000       1.264000      ?             ?      
1 1 1 17 37 41 o 0.8145000      1.118000      ?             ?      
1 1 1 17 37 42 o 0.2030000      1.153000      ?             ?      
1 1 1 17 37 43 o -0.8103000     1.169000      ?             ?      
1 1 1 17 37 44 o 8.896000       1.258000      ?             ?      
1 1 1 17 37 45 o 2.387000       1.074000      ?             ?      
1 1 1 17 37 46 o 2.981000       1.111000      ?             ?      
1 1 1 17 37 47 o 0.7934000      1.249000      ?             ?      
1 1 1 17 37 48 o 0.4695000      1.354000      ?             ?      
1 1 1 17 37 49 o -0.1543000E-01 1.211000      ?             ?      
1 1 1 17 37 50 o -0.6649000     1.093000      ?             ?      
1 1 1 17 37 51 o 0.1922000      1.182000      ?             ?      
1 1 1 17 37 52 o 3.072000       1.215000      ?             ?      
1 1 1 17 37 53 o 1.008000       1.135000      ?             ?      
1 1 1 17 37 54 o 3.420000       1.197000      ?             ?      
1 1 1 17 37 55 o 1.184000       1.193000      ?             ?      
1 1 1 17 37 56 o 1.460000       1.207000      ?             ?      
1 1 1 17 37 57 o 0.9749000E-01  1.204000      ?             ?      
1 1 1 17 37 58 o -2.450000      1.418000      ?             ?      
1 1 1 17 37 59 o 0.7395000      1.254000      ?             ?      
1 1 1 17 37 60 o 2.900000       1.500000      ?             ?      
1 1 1 17 38 0  o -0.2531000     1.149000      48.91449      90.0   
1 1 1 17 38 1  o 1.762000       0.8382000     191.8792      -91.1  
1 1 1 17 38 2  o 3.186000       0.9140000     355.9351      -67.6  
1 1 1 17 38 3  o 0.1166000      0.9467000     139.7151      139.0  
1 1 1 17 38 4  o 0.9989000      0.8881000     54.29964      144.8  
1 1 1 17 38 5  o 2.521000       0.8894000     133.7040      -118.7 
1 1 1 17 38 6  o 3.476000       0.8315000     344.0583      -159.4 
1 1 1 17 38 7  o 1.522000       0.8846000     219.2829      -168.8 
1 1 1 17 38 8  o 4.122000       0.9626000     200.3948      -29.5  
1 1 1 17 38 9  o 16.88000       1.452000      605.1746      98.5   
1 1 1 17 38 10 o 8.504000       1.134000      425.0377      -59.2  
1 1 1 17 38 11 o 1.751000       0.9540000     77.71974      -156.7 
1 1 1 17 38 12 o 4.670000       1.003000      280.4905      155.1  
1 1 1 17 38 13 o 8.330000       1.045000      461.8156      106.2  
1 1 1 17 38 14 o 0.8596000      0.9914000     104.8131      11.9   
1 1 1 17 38 15 o 0.4783000      0.9870000     174.0043      -6.9   
1 1 1 17 38 16 o 0.3652000      1.184000      135.5687      105.8  
1 1 1 17 38 17 o 1.430000       1.207000      164.9762      -73.7  
1 1 1 17 38 18 o 5.328000       1.283000      291.3582      -76.5  
1 1 1 17 38 19 o 2.147000       1.271000      237.5206      -56.8  
1 1 1 17 38 20 o -0.7839000     1.256000      91.53210      117.2  
1 1 1 17 38 21 o 2.475000       1.303000      254.1561      94.6   
1 1 1 17 38 22 o 2.334000       1.139000      109.9386      -66.9  
1 1 1 17 38 23 o 0.9374000      1.158000      147.8707      -118.6 
1 1 1 17 38 24 o 0.4261000      1.370000      55.06987      -20.8  
1 1 1 17 38 25 o -0.4476000     1.365000      82.88379      123.6  
1 1 1 17 38 26 o -1.144000      1.221000      29.58609      -52.9  
1 1 1 17 38 27 o 2.829000       1.442000      319.5003      -112.1 
1 1 1 17 38 28 o 6.630000       1.448000      359.9038      53.3   
1 1 1 17 38 29 o 2.666000       1.219000      288.1654      41.2   
1 1 1 17 38 30 o 2.662000       1.243000      276.1616      -89.8  
1 1 1 17 38 31 o 3.785000       1.295000      138.9281      172.2  
1 1 1 17 38 32 o 4.672000       1.266000      273.5285      -102.9 
1 1 1 17 38 33 o 0.3236000      1.210000      112.0354      45.8   
1 1 1 17 38 34 o -0.2389000     1.096000      93.54567      150.6  
1 1 1 17 38 35 o 2.073000       1.112000      182.6660      41.8   
1 1 1 17 38 36 o 6.177000       1.147000      224.8700      -115.6 
1 1 1 17 38 37 o 3.123000       1.147000      319.6849      -100.0 
1 1 1 17 38 38 o -0.1036000     1.032000      ?             ?      
1 1 1 17 38 39 o 1.366000       1.127000      ?             ?      
1 1 1 17 38 40 o 1.653000       1.180000      ?             ?      
1 1 1 17 38 41 o 1.753000       1.202000      ?             ?      
1 1 1 17 38 42 o 1.534000       1.145000      ?             ?      
1 1 1 17 38 43 o 2.318000       1.144000      ?             ?      
1 1 1 17 38 44 o 2.779000       1.064000      ?             ?      
1 1 1 17 38 45 o 0.6730000      1.004000      ?             ?      
1 1 1 17 38 46 o 1.612000       1.021000      ?             ?      
1 1 1 17 38 47 o 1.953000       1.236000      ?             ?      
1 1 1 17 38 48 o 1.235000       1.225000      ?             ?      
1 1 1 17 38 49 o -0.4778000E-02 1.341000      ?             ?      
1 1 1 17 38 50 o 0.3111000      1.202000      ?             ?      
1 1 1 17 38 51 o 0.2575000      1.084000      ?             ?      
1 1 1 17 38 52 o 2.228000       1.118000      ?             ?      
1 1 1 17 38 53 o 3.203000       1.158000      ?             ?      
1 1 1 17 38 54 o -1.833000      1.207000      ?             ?      
1 1 1 17 38 55 o 1.357000       1.240000      ?             ?      
1 1 1 17 38 56 o 0.1148000      1.200000      ?             ?      
1 1 1 17 38 57 o 0.4095000      1.298000      ?             ?      
1 1 1 17 38 58 o 0.4228000      1.377000      ?             ?      
1 1 1 17 38 59 o 0.1371000      1.947000      ?             ?      
1 1 1 17 39 0  o 0.8004000      1.178000      32.44578      90.0   
1 1 1 17 39 1  o 0.6604000      0.9148000     42.92993      95.4   
1 1 1 17 39 2  o 1.563000       0.9766000     227.2656      -94.3  
1 1 1 17 39 3  o -0.6924000     0.9306000     78.58747      -17.8  
1 1 1 17 39 4  o 0.1656000      0.8937000     129.8183      116.1  
1 1 1 17 39 5  o 7.230000       0.8787000     343.0995      -26.3  
1 1 1 17 39 6  o 0.5821000E-01  0.9266000     96.38736      52.5   
1 1 1 17 39 7  o 0.4232000      0.8903000     147.8958      -159.3 
1 1 1 17 39 8  o 1.514000       0.9241000     201.8102      143.5  
1 1 1 17 39 9  o 2.459000       1.275000      84.23686      34.2   
1 1 1 17 39 10 o 7.764000       1.112000      402.9336      -146.3 
1 1 1 17 39 11 o -0.1072000     0.9692000     139.8953      119.9  
1 1 1 17 39 12 o 0.4241000      0.9926000     122.5193      -125.9 
1 1 1 17 39 13 o 1.026000       0.9963000     118.3078      58.9   
1 1 1 17 39 14 o 1.995000       1.003000      260.3296      -125.7 
1 1 1 17 39 15 o 3.954000       1.044000      256.5850      24.9   
1 1 1 17 39 16 o 0.7662000      1.200000      169.9260      -17.7  
1 1 1 17 39 17 o 3.117000       1.278000      130.4398      -52.7  
1 1 1 17 39 18 o 1.261000       1.276000      89.96495      -63.7  
1 1 1 17 39 19 o 2.385000       1.292000      171.5402      -24.1  
1 1 1 17 39 20 o -1.129000      1.282000      39.72223      7.4    
1 1 1 17 39 21 o 0.7227000      1.316000      120.6484      161.6  
1 1 1 17 39 22 o -1.636000      1.335000      72.79308      -25.0  
1 1 1 17 39 23 o 6.612000       1.270000      293.9879      -10.2  
1 1 1 17 39 24 o 6.160000       1.442000      297.7192      -98.0  
1 1 1 17 39 25 o -0.4088000     1.259000      176.6871      -118.2 
1 1 1 17 39 26 o 5.281000       1.291000      224.5089      171.5  
1 1 1 17 39 27 o -0.3156000     1.469000      86.76069      -70.6  
1 1 1 17 39 28 o 0.8719000      1.507000      101.4529      -124.4 
1 1 1 17 39 29 o 2.038000       1.325000      143.8414      62.0   
1 1 1 17 39 30 o 2.857000       1.230000      211.7202      40.3   
1 1 1 17 39 31 o 2.539000       1.268000      165.5172      -44.2  
1 1 1 17 39 32 o 2.775000       1.328000      185.2715      158.6  
1 1 1 17 39 33 o 1.943000       1.280000      124.2096      35.4   
1 1 1 17 39 34 o 1.426000       1.638000      115.1513      -120.5 
1 1 1 17 39 35 o 3.215000       1.365000      170.6459      -38.6  
1 1 1 17 39 36 o 1.501000       0.9907000     136.6221      117.9  
1 1 1 17 39 37 o 0.7298000E-01  1.009000      ?             ?      
1 1 1 17 39 38 o -1.251000      0.9817000     ?             ?      
1 1 1 17 39 39 o 2.214000       1.079000      ?             ?      
1 1 1 17 39 40 o 3.107000       1.094000      ?             ?      
1 1 1 17 39 41 o 0.2021000      1.227000      ?             ?      
1 1 1 17 39 42 o 0.9284000      1.260000      ?             ?      
1 1 1 17 39 43 o 4.055000       1.332000      ?             ?      
1 1 1 17 39 44 o -0.3015000     1.030000      ?             ?      
1 1 1 17 39 45 o 3.098000       1.020000      ?             ?      
1 1 1 17 39 46 o -0.8059000     0.9939000     ?             ?      
1 1 1 17 39 47 o 3.010000       1.042000      ?             ?      
1 1 1 17 39 48 o -0.3708000     1.121000      ?             ?      
1 1 1 17 39 49 o 1.637000       1.222000      ?             ?      
1 1 1 17 39 50 o -0.6756000     1.335000      ?             ?      
1 1 1 17 39 51 o 2.538000       1.214000      ?             ?      
1 1 1 17 39 52 o 0.3020000      1.099000      ?             ?      
1 1 1 17 39 53 o 1.306000       1.112000      ?             ?      
1 1 1 17 39 54 o 0.6394000      1.123000      ?             ?      
1 1 1 17 39 55 o 1.652000       1.142000      ?             ?      
1 1 1 17 39 56 o -0.3560000     1.208000      ?             ?      
1 1 1 17 39 57 o 1.223000       1.575000      ?             ?      
1 1 1 17 39 58 o 0.8508000      1.307000      ?             ?      
1 1 1 17 40 0  o -0.7490000     1.392000      26.42910      90.0   
1 1 1 17 40 1  o 1.021000       0.9360000     60.93154      140.1  
1 1 1 17 40 2  o 3.591000       1.015000      145.7671      -27.8  
1 1 1 17 40 3  o -0.4563000     0.9213000     42.71785      159.5  
1 1 1 17 40 4  o -0.4218000E-01 0.8389000     67.12072      124.7  
1 1 1 17 40 5  o -1.632000      0.8170000     61.31354      -139.9 
1 1 1 17 40 6  o -0.8820000E-01 0.8480000     124.3929      -100.8 
1 1 1 17 40 7  o 1.717000       0.9024000     144.1324      46.5   
1 1 1 17 40 8  o 4.948000       0.9186000     235.6966      24.1   
1 1 1 17 40 9  o 3.896000       1.041000      215.5528      149.5  
1 1 1 17 40 10 o 1.405000       1.029000      39.60360      -69.6  
1 1 1 17 40 11 o 0.8383000      1.019000      58.54675      -9.9   
1 1 1 17 40 12 o 3.249000       1.052000      204.1825      139.1  
1 1 1 17 40 13 o 1.519000       1.014000      56.13974      121.4  
1 1 1 17 40 14 o -1.451000      1.019000      9.465867      -0.9   
1 1 1 17 40 15 o -1.225000      1.050000      84.57677      17.4   
1 1 1 17 40 16 o 2.674000       1.266000      128.9456      45.3   
1 1 1 17 40 17 o -0.3664000     1.278000      62.75512      71.4   
1 1 1 17 40 18 o 0.7601000      1.271000      157.7699      -51.2  
1 1 1 17 40 19 o 2.449000       1.327000      154.9925      -119.3 
1 1 1 17 40 20 o 3.763000       1.340000      118.8728      175.9  
1 1 1 17 40 21 o 1.018000       1.369000      158.1124      73.9   
1 1 1 17 40 22 o 2.164000       1.406000      120.0461      60.7   
1 1 1 17 40 23 o -1.511000      1.844000      144.6898      22.9   
1 1 1 17 40 24 o -1.091000      1.415000      150.1180      86.3   
1 1 1 17 40 25 o -0.6385000     1.265000      108.4144      4.4    
1 1 1 17 40 26 o -2.247000      1.583000      84.34225      -21.0  
1 1 1 17 40 27 o 1.415000       1.558000      90.11340      135.0  
1 1 1 17 40 28 o 3.525000       1.272000      224.4155      43.0   
1 1 1 17 40 29 o 1.922000       1.317000      91.91773      -61.5  
1 1 1 17 40 30 o 1.192000       1.267000      85.36672      121.9  
1 1 1 17 40 31 o -0.1457000E-01 1.617000      92.01661      -41.9  
1 1 1 17 40 32 o 1.852000       1.652000      215.3769      -96.4  
1 1 1 17 40 33 o 3.459000       1.255000      228.1559      113.1  
1 1 1 17 40 34 o 2.906000       1.235000      56.67548      56.4   
1 1 1 17 40 35 o 0.9833000      1.206000      ?             ?      
1 1 1 17 40 36 o -0.2582000     1.246000      ?             ?      
1 1 1 17 40 37 o 0.8772000      0.9722000     ?             ?      
1 1 1 17 40 38 o 1.003000       0.9699000     ?             ?      
1 1 1 17 40 39 o 0.1184000      0.9460000     ?             ?      
1 1 1 17 40 40 o 2.372000       1.086000      ?             ?      
1 1 1 17 40 41 o -0.8658000     1.248000      ?             ?      
1 1 1 17 40 42 o -1.338000      1.323000      ?             ?      
1 1 1 17 40 43 o 0.4396000      1.076000      ?             ?      
1 1 1 17 40 44 o 1.622000       1.077000      ?             ?      
1 1 1 17 40 45 o 0.4895000      0.9860000     ?             ?      
1 1 1 17 40 46 o 0.7774000      0.9878000     ?             ?      
1 1 1 17 40 47 o 2.288000       1.014000      ?             ?      
1 1 1 17 40 48 o -1.076000      0.9914000     ?             ?      
1 1 1 17 40 49 o 4.901000       1.137000      ?             ?      
1 1 1 17 40 50 o 0.1476000      1.222000      ?             ?      
1 1 1 17 40 51 o -0.1534000     1.317000      ?             ?      
1 1 1 17 40 52 o 1.376000       1.200000      ?             ?      
1 1 1 17 40 53 o 1.157000       1.099000      ?             ?      
1 1 1 17 40 54 o 1.901000       1.129000      ?             ?      
1 1 1 17 40 55 o -0.8809000     1.175000      ?             ?      
1 1 1 17 40 56 o 1.727000       1.414000      ?             ?      
1 1 1 17 40 57 o -1.451000      1.310000      ?             ?      
1 1 1 17 41 0  o 0.9928000      1.449000      68.71584      -90.0  
1 1 1 17 41 1  o 0.6841000      1.045000      188.5130      160.8  
1 1 1 17 41 2  o 4.760000       1.067000      216.1421      165.3  
1 1 1 17 41 3  o 1.199000       0.9406000     68.27151      -78.2  
1 1 1 17 41 4  o 1.229000       0.8396000     22.48532      15.9   
1 1 1 17 41 5  o 0.2277000      0.8318000     19.72446      107.9  
1 1 1 17 41 6  o 3.070000       0.8692000     152.5923      176.5  
1 1 1 17 41 7  o -0.4688000     0.8973000     85.18610      -75.3  
1 1 1 17 41 8  o 1.127000       0.8760000     161.4713      176.3  
1 1 1 17 41 9  o -0.1460000     0.8786000     112.7764      136.7  
1 1 1 17 41 10 o 5.773000       1.075000      133.0084      -108.2 
1 1 1 17 41 11 o 0.6035000      1.026000      32.64304      -55.2  
1 1 1 17 41 12 o 2.338000       1.063000      124.2829      -48.4  
1 1 1 17 41 13 o -2.458000      1.038000      69.39316      99.6   
1 1 1 17 41 14 o -0.8028000     1.075000      44.90786      114.2  
1 1 1 17 41 15 o 2.618000       1.112000      190.3048      -27.1  
1 1 1 17 41 16 o 1.629000       1.299000      89.18567      -142.7 
1 1 1 17 41 17 o 0.1448000      1.306000      66.11614      41.9   
1 1 1 17 41 18 o 4.306000       1.338000      164.5247      -10.6  
1 1 1 17 41 19 o -0.1524000E-01 1.324000      67.58580      179.4  
1 1 1 17 41 20 o -1.529000      1.350000      71.16974      -102.1 
1 1 1 17 41 21 o -0.6183000     1.426000      29.55428      -147.3 
1 1 1 17 41 22 o 1.848000       1.905000      156.6769      -79.6  
1 1 1 17 41 23 o 0.6207000      1.986000      97.64040      -19.9  
1 1 1 17 41 24 f 4.158000       1.671000      70.57273      14.6   
1 1 1 17 41 25 o -1.217000      1.579000      93.62376      -117.0 
1 1 1 17 41 26 o -1.475000      1.548000      51.02415      153.3  
1 1 1 17 41 27 o -0.7264000E-01 1.605000      107.3929      -122.0 
1 1 1 17 41 28 o 0.2333000E-02  1.624000      96.72659      142.1  
1 1 1 17 41 29 o 4.799000       1.673000      173.1267      85.1   
1 1 1 17 41 30 o 2.537000       1.302000      173.3680      29.7   
1 1 1 17 41 31 o 0.3667000      1.238000      28.72982      -23.8  
1 1 1 17 41 32 o 0.2778000      1.200000      88.57022      -120.7 
1 1 1 17 41 33 o 4.448000       1.220000      175.5386      -38.8  
1 1 1 17 41 34 o -1.930000      1.185000      ?             ?      
1 1 1 17 41 35 o 0.3804000      1.196000      ?             ?      
1 1 1 17 41 36 o -0.3352000     1.183000      ?             ?      
1 1 1 17 41 37 o 3.187000       1.190000      ?             ?      
1 1 1 17 41 38 o 1.694000       0.9557000     ?             ?      
1 1 1 17 41 39 o 2.049000       0.9221000     ?             ?      
1 1 1 17 41 40 o 1.170000       0.9565000     ?             ?      
1 1 1 17 41 41 o 0.5623000      1.091000      ?             ?      
1 1 1 17 41 42 o 1.228000       1.203000      ?             ?      
1 1 1 17 41 43 o 0.3249000      1.182000      ?             ?      
1 1 1 17 41 44 o -0.7968000E-01 1.050000      ?             ?      
1 1 1 17 41 45 o 0.1228000      0.9586000     ?             ?      
1 1 1 17 41 46 o 1.161000       0.9884000     ?             ?      
1 1 1 17 41 47 o 0.9033000      0.9952000     ?             ?      
1 1 1 17 41 48 o -0.8727000     0.9829000     ?             ?      
1 1 1 17 41 49 o 0.1150000      0.9857000     ?             ?      
1 1 1 17 41 50 o -0.1207000     1.102000      ?             ?      
1 1 1 17 41 51 o 1.040000       1.121000      ?             ?      
1 1 1 17 41 52 o 1.414000       1.339000      ?             ?      
1 1 1 17 41 53 o 0.8504000      1.211000      ?             ?      
1 1 1 17 41 54 o -0.5422000E-01 1.112000      ?             ?      
1 1 1 17 41 55 o 0.6928000      1.249000      ?             ?      
1 1 1 17 41 56 o 0.2851000      1.364000      ?             ?      
1 1 1 17 42 0  o -0.5752000     1.519000      31.52879      90.0   
1 1 1 17 42 1  o -0.1596000     1.217000      49.94455      -31.3  
1 1 1 17 42 2  o 1.418000       1.045000      133.5632      -83.6  
1 1 1 17 42 3  o 1.166000       0.9109000     67.79984      -119.0 
1 1 1 17 42 4  o 0.1751000      0.8579000     85.18921      -153.5 
1 1 1 17 42 5  o -0.2352000     0.8855000     56.57148      -152.1 
1 1 1 17 42 6  o -0.3488000     0.8742000     18.14001      92.7   
1 1 1 17 42 7  o -1.287000      0.8279000     30.60122      89.4   
1 1 1 17 42 8  o -1.900000      0.8683000     87.39713      -121.4 
1 1 1 17 42 9  o 0.7799000      0.8627000     44.70949      -29.2  
1 1 1 17 42 10 o 1.713000       1.038000      67.95448      128.4  
1 1 1 17 42 11 o 0.8020000      1.035000      63.71262      171.7  
1 1 1 17 42 12 o -0.6988000     1.069000      43.32825      -145.8 
1 1 1 17 42 13 o 3.145000       1.094000      44.11866      6.5    
1 1 1 17 42 14 o -0.9976000     1.102000      73.61072      78.9   
1 1 1 17 42 15 o -1.428000      1.102000      36.98182      -8.9   
1 1 1 17 42 16 o 1.556000       1.326000      94.40589      0.3    
1 1 1 17 42 17 o -2.230000      1.328000      51.23110      110.5  
1 1 1 17 42 18 o 0.7588000      1.349000      57.83989      -45.6  
1 1 1 17 42 19 o -0.2858000     1.365000      59.64966      148.7  
1 1 1 17 42 20 o 2.716000       1.431000      75.81388      -158.0 
1 1 1 17 42 21 o 4.732000       1.588000      97.10514      52.2   
1 1 1 17 42 22 o 3.490000       2.087000      36.35826      17.3   
1 1 1 17 42 23 o 0.8623000      2.076000      100.9407      85.7   
1 1 1 17 42 24 o 0.5003000      1.835000      72.98704      79.2   
1 1 1 17 42 25 o 0.6102000      2.263000      52.54748      -50.9  
1 1 1 17 42 26 o 0.4305000      2.265000      75.30662      17.8   
1 1 1 17 42 27 o -2.382000      1.337000      33.10334      129.9  
1 1 1 17 42 28 o -1.526000      1.320000      44.40117      -63.2  
1 1 1 17 42 29 o -0.7022000     1.332000      84.54586      88.9   
1 1 1 17 42 30 o 0.9312000      1.273000      34.15747      38.4   
1 1 1 17 42 31 o -1.333000      1.238000      80.41357      -76.3  
1 1 1 17 42 32 o -0.2558000     1.224000      ?             ?      
1 1 1 17 42 33 o 0.2787000      1.190000      ?             ?      
1 1 1 17 42 34 o 0.4810000      1.173000      ?             ?      
1 1 1 17 42 35 o 0.4112000E-01  1.157000      ?             ?      
1 1 1 17 42 36 o 0.3726000      1.170000      ?             ?      
1 1 1 17 42 37 o 0.4178000E-01  1.147000      ?             ?      
1 1 1 17 42 38 o -1.805000      1.121000      ?             ?      
1 1 1 17 42 39 o -0.3816000     1.295000      ?             ?      
1 1 1 17 42 40 o 0.1379000      0.9581000     ?             ?      
1 1 1 17 42 41 o -1.183000      1.065000      ?             ?      
1 1 1 17 42 42 o 0.9035000      1.039000      ?             ?      
1 1 1 17 42 43 o 1.875000       1.093000      ?             ?      
1 1 1 17 42 44 o 1.726000       1.102000      ?             ?      
1 1 1 17 42 45 o -0.4763000     1.024000      ?             ?      
1 1 1 17 42 46 o -0.4104000     0.9552000     ?             ?      
1 1 1 17 42 47 o 0.7301000      0.9853000     ?             ?      
1 1 1 17 42 48 o -0.7154000     0.9940000     ?             ?      
1 1 1 17 42 49 o 0.9142000      1.001000      ?             ?      
1 1 1 17 42 50 o -0.3220000     1.093000      ?             ?      
1 1 1 17 42 51 o 0.6778000      1.117000      ?             ?      
1 1 1 17 42 52 o -0.7875000     1.126000      ?             ?      
1 1 1 17 42 53 o 0.8681000      1.365000      ?             ?      
1 1 1 17 42 54 o 2.508000       1.318000      ?             ?      
1 1 1 17 42 55 o -0.7068000     1.340000      ?             ?      
1 1 1 17 43 0  o -1.149000      1.830000      3.817144      -90.0  
1 1 1 17 43 1  o 0.1890000      1.205000      46.91449      55.0   
1 1 1 17 43 2  o 3.605000       1.056000      59.56884      -53.1  
1 1 1 17 43 3  o -0.3945000     0.8950000     102.7798      -81.7  
1 1 1 17 43 4  o 1.145000       0.8723000     21.54488      -33.4  
1 1 1 17 43 5  o 0.1522000      0.8936000     66.68151      3.8    
1 1 1 17 43 6  o -0.8351000     0.9068000     20.58989      -31.6  
1 1 1 17 43 7  o 1.726000       0.8639000     40.72223      134.6  
1 1 1 17 43 8  o -0.4137000     0.8487000     78.72882      -40.8  
1 1 1 17 43 9  o 1.469000       0.8627000     66.89185      -27.0  
1 1 1 17 43 10 o 2.199000       1.056000      38.34089      -113.6 
1 1 1 17 43 11 o 1.699000       1.100000      83.20439      20.2   
1 1 1 17 43 12 o -0.4973000     1.125000      79.66632      70.8   
1 1 1 17 43 13 o 0.7649000      1.139000      118.2784      138.0  
1 1 1 17 43 14 o 1.640000       1.380000      87.40403      53.4   
1 1 1 17 43 15 o -0.3728000     1.324000      62.03714      -113.3 
1 1 1 17 43 16 o 3.092000       1.385000      104.4648      160.4  
1 1 1 17 43 17 o 1.657000       1.395000      75.50195      101.2  
1 1 1 17 43 18 o 1.187000       1.486000      51.28787      178.3  
1 1 1 17 43 19 o 1.410000       1.550000      82.30047      -149.8 
1 1 1 17 43 20 o 1.829000       1.533000      55.11573      127.5  
1 1 1 17 43 21 o -3.242000      2.053000      11.38954      -84.8  
1 1 1 17 43 22 o 2.228000       2.206000      65.61348      -42.4  
1 1 1 17 43 23 o -1.179000      1.608000      39.69382      24.4   
1 1 1 17 43 24 o 2.742000       1.639000      89.11829      1.7    
1 1 1 17 43 25 o -2.422000      2.247000      85.60553      169.6  
1 1 1 17 43 26 o 2.503000       2.311000      62.85431      -166.7 
1 1 1 17 43 27 o 0.8898000      1.626000      81.56414      22.7   
1 1 1 17 43 28 o 1.187000       1.320000      46.26967      99.9   
1 1 1 17 43 29 o 3.923000       1.362000      118.8181      106.6  
1 1 1 17 43 30 o 0.3679000      1.293000      ?             ?      
1 1 1 17 43 31 o 1.196000       1.274000      ?             ?      
1 1 1 17 43 32 o 2.064000       1.438000      ?             ?      
1 1 1 17 43 33 o -0.3609000     1.202000      ?             ?      
1 1 1 17 43 34 o 0.9029000      1.162000      ?             ?      
1 1 1 17 43 35 o -0.5233000E-01 1.145000      ?             ?      
1 1 1 17 43 36 o 1.194000       1.139000      ?             ?      
1 1 1 17 43 37 o 0.9906000      1.148000      ?             ?      
1 1 1 17 43 38 o 0.3480000      1.146000      ?             ?      
1 1 1 17 43 39 o -0.9847000     1.249000      ?             ?      
1 1 1 17 43 40 o 0.9236000      1.245000      ?             ?      
1 1 1 17 43 41 o -0.3687000     0.9546000     ?             ?      
1 1 1 17 43 42 o 0.3568000      1.343000      ?             ?      
1 1 1 17 43 43 o 0.7266000      1.018000      ?             ?      
1 1 1 17 43 44 o -2.238000      1.042000      ?             ?      
1 1 1 17 43 45 o 0.4370000      0.9942000     ?             ?      
1 1 1 17 43 46 o -0.1158000     1.024000      ?             ?      
1 1 1 17 43 47 o -0.1517000     0.9642000     ?             ?      
1 1 1 17 43 48 o 2.444000       0.9762000     ?             ?      
1 1 1 17 43 49 o 0.2388000      0.9826000     ?             ?      
1 1 1 17 43 50 o 2.408000       1.103000      ?             ?      
1 1 1 17 43 51 o 0.9450000      1.113000      ?             ?      
1 1 1 17 43 52 o 0.7296000      1.140000      ?             ?      
1 1 1 17 43 53 o 0.6099000      1.177000      ?             ?      
1 1 1 17 43 54 o 0.2640000      1.554000      ?             ?      
1 1 1 17 44 0  o -1.500000      1.743000      16.19194      -90.0  
1 1 1 17 44 1  o -1.994000      1.088000      49.55711      -101.5 
1 1 1 17 44 2  o 2.670000       1.047000      41.65631      33.3   
1 1 1 17 44 3  o 0.6772000      0.9095000     40.04758      47.9   
1 1 1 17 44 4  o 1.753000       0.8927000     140.3457      -132.0 
1 1 1 17 44 5  o 1.401000       0.9177000     119.4812      2.8    
1 1 1 17 44 6  o 1.607000       0.9380000     104.6292      67.6   
1 1 1 17 44 7  o -1.154000      0.8717000     10.21576      -84.4  
1 1 1 17 44 8  o 1.120000       0.8688000     90.77760      -31.6  
1 1 1 17 44 9  o 1.454000       0.8898000     60.23828      -9.4   
1 1 1 17 44 10 o -1.933000      1.083000      34.15340      -149.0 
1 1 1 17 44 11 f 1.860000       1.371000      159.3445      -83.6  
1 1 1 17 44 12 o -0.7093000     1.398000      97.34897      138.4  
1 1 1 17 44 13 o 3.535000       1.220000      168.1481      -86.6  
1 1 1 17 44 14 o 2.755000       1.199000      131.6327      28.5   
1 1 1 17 44 15 o 1.187000       1.201000      131.2402      -85.0  
1 1 1 17 44 16 o -0.8972000     1.479000      46.02436      62.1   
1 1 1 17 44 17 o -0.9393000     1.435000      94.76136      166.5  
1 1 1 17 44 18 o 4.093000       1.516000      111.0182      -48.6  
1 1 1 17 44 19 o -2.732000      1.605000      39.16383      -96.1  
1 1 1 17 44 20 o 0.8005000      1.605000      83.29593      1.2    
1 1 1 17 44 21 o -1.121000      2.029000      37.97110      -4.2   
1 1 1 17 44 22 o -0.6217000     1.637000      78.12441      12.6   
1 1 1 17 44 23 o -1.535000      1.603000      132.7836      100.6  
1 1 1 17 44 24 o -2.986000      2.244000      23.44973      26.0   
1 1 1 17 44 25 o 4.112000       2.352000      137.8088      -68.2  
1 1 1 17 44 26 o 2.492000       1.642000      141.8000      122.0  
1 1 1 17 44 27 o 0.5032000      1.614000      24.81619      -89.5  
1 1 1 17 44 28 o 1.758000       1.625000      ?             ?      
1 1 1 17 44 29 o 1.083000       1.304000      ?             ?      
1 1 1 17 44 30 o 0.4205000      1.294000      ?             ?      
1 1 1 17 44 31 o 0.4240000      1.260000      ?             ?      
1 1 1 17 44 32 o -0.5871000E-01 1.249000      ?             ?      
1 1 1 17 44 33 o -2.234000      1.239000      ?             ?      
1 1 1 17 44 34 o 1.170000       1.212000      ?             ?      
1 1 1 17 44 35 o 0.3022000      1.181000      ?             ?      
1 1 1 17 44 36 o 0.2045000E-01  1.118000      ?             ?      
1 1 1 17 44 37 o -1.592000      1.129000      ?             ?      
1 1 1 17 44 38 o 1.226000       1.273000      ?             ?      
1 1 1 17 44 39 o 0.3776000      1.271000      ?             ?      
1 1 1 17 44 40 o 0.2866000      1.153000      ?             ?      
1 1 1 17 44 41 o 0.4812000      1.231000      ?             ?      
1 1 1 17 44 42 o -0.3424000     1.171000      ?             ?      
1 1 1 17 44 43 o -1.430000      0.9337000     ?             ?      
1 1 1 17 44 44 o 0.6943000      1.021000      ?             ?      
1 1 1 17 44 45 o -0.8582000     1.041000      ?             ?      
1 1 1 17 44 46 o 0.6855000      0.9966000     ?             ?      
1 1 1 17 44 47 o 0.8611000      1.165000      ?             ?      
1 1 1 17 44 48 o 1.711000       1.062000      ?             ?      
1 1 1 17 44 49 o -0.5483000     1.059000      ?             ?      
1 1 1 17 44 50 o -1.638000      1.092000      ?             ?      
1 1 1 17 44 51 o -1.080000      1.112000      ?             ?      
1 1 1 17 44 52 o 2.245000       1.129000      ?             ?      
1 1 1 17 44 53 o 1.897000       1.289000      ?             ?      
1 1 1 17 45 0  o 1.553000       1.753000      171.7471      -90.0  
1 1 1 17 45 1  o 1.802000       1.216000      131.2811      3.8    
1 1 1 17 45 2  o 0.6559000      1.066000      150.3745      -77.7  
1 1 1 17 45 3  o -0.2427000     0.9249000     54.22577      -18.2  
1 1 1 17 45 4  o 1.470000       0.9591000     129.5685      129.9  
1 1 1 17 45 5  o 0.4224000      0.9659000     78.66654      71.1   
1 1 1 17 45 6  o -1.574000      0.9006000     112.2380      41.5   
1 1 1 17 45 7  o 1.559000       0.8879000     125.7387      39.5   
1 1 1 17 45 8  o -0.9935000     0.8855000     74.33638      52.7   
1 1 1 17 45 9  o 0.5073000      0.9466000     86.64021      -10.2  
1 1 1 17 45 10 o 0.4931000      1.148000      109.6106      4.2    
1 1 1 17 45 11 o 1.681000       1.132000      82.82066      -1.5   
1 1 1 17 45 12 o 0.1479000      1.183000      35.03946      39.5   
1 1 1 17 45 13 o -1.414000      1.267000      111.7980      -166.7 
1 1 1 17 45 14 o 3.027000       1.260000      201.3679      55.8   
1 1 1 17 45 15 o 0.9511000      1.204000      114.3870      -118.5 
1 1 1 17 45 16 o 2.039000       1.502000      95.92741      -141.4 
1 1 1 17 45 17 o -2.196000      1.518000      38.29828      123.7  
1 1 1 17 45 18 o 2.151000       1.528000      115.7764      -43.5  
1 1 1 17 45 19 o -0.9360000     1.533000      64.77268      142.3  
1 1 1 17 45 20 o -0.5105000     2.011000      132.4279      -164.1 
1 1 1 17 45 21 o -1.175000      2.052000      59.84034      21.9   
1 1 1 17 45 22 o -0.7833000     1.642000      17.15449      179.7  
1 1 1 17 45 23 o 5.847000       1.704000      150.1839      179.4  
1 1 1 17 45 24 o -1.760000      2.344000      81.42519      36.1   
1 1 1 17 45 25 o 5.752000       2.413000      174.8330      -119.1 
1 1 1 17 45 26 o 1.242000       1.650000      ?             ?      
1 1 1 17 45 27 o 1.341000       1.605000      ?             ?      
1 1 1 17 45 28 o 3.293000       1.627000      ?             ?      
1 1 1 17 45 29 o -0.2341000E-01 1.623000      ?             ?      
1 1 1 17 45 30 o 0.8218000      1.632000      ?             ?      
1 1 1 17 45 31 o 0.3035000      1.319000      ?             ?      
1 1 1 17 45 32 o 0.7274000      1.264000      ?             ?      
1 1 1 17 45 33 o 2.723000       1.280000      ?             ?      
1 1 1 17 45 34 o 0.3513000      1.240000      ?             ?      
1 1 1 17 45 35 o -1.030000      1.216000      ?             ?      
1 1 1 17 45 36 o 1.986000       1.219000      ?             ?      
1 1 1 17 45 37 o -1.401000      1.247000      ?             ?      
1 1 1 17 45 38 o 0.3722000      1.242000      ?             ?      
1 1 1 17 45 39 o 0.3096000      1.136000      ?             ?      
1 1 1 17 45 40 o -0.9687000     1.286000      ?             ?      
1 1 1 17 45 41 o 1.658000       1.295000      ?             ?      
1 1 1 17 45 42 o 0.1191000      1.114000      ?             ?      
1 1 1 17 45 43 o -0.5264000     1.165000      ?             ?      
1 1 1 17 45 44 o -0.3572000     0.9445000     ?             ?      
1 1 1 17 45 45 o -0.1172000     1.020000      ?             ?      
1 1 1 17 45 46 o 0.9295000      1.181000      ?             ?      
1 1 1 17 45 47 o -0.5205000     1.143000      ?             ?      
1 1 1 17 45 48 o 0.2117000      1.045000      ?             ?      
1 1 1 17 45 49 o 0.3797000      1.069000      ?             ?      
1 1 1 17 45 50 o 0.8309000      1.312000      ?             ?      
1 1 1 17 45 51 o -0.2835000     1.092000      ?             ?      
1 1 1 17 45 52 o 1.074000       1.269000      ?             ?      
1 1 1 17 46 0  o 1.577000       1.596000      149.4163      -90.0  
1 1 1 17 46 1  o 7.067000       1.138000      263.4135      -42.8  
1 1 1 17 46 2  o 1.944000       1.196000      222.9877      -157.9 
1 1 1 17 46 3  o 1.137000       0.9574000     116.3570      -50.9  
1 1 1 17 46 4  o 1.209000       0.9759000     154.2489      -146.2 
1 1 1 17 46 5  o 0.9741000      0.9785000     87.76517      -13.3  
1 1 1 17 46 6  o 0.5448000      1.051000      224.2543      76.3   
1 1 1 17 46 7  o 0.1262000      0.9736000     67.82625      -97.9  
1 1 1 17 46 8  o 6.057000       0.9434000     289.7530      23.3   
1 1 1 17 46 9  o 0.2849000      0.9252000     39.81709      -173.6 
1 1 1 17 46 10 o 2.081000       1.264000      130.3204      107.8  
1 1 1 17 46 11 o 0.1402000E-01  1.232000      105.7146      -162.9 
1 1 1 17 46 12 o 0.6310000      1.180000      85.55973      153.5  
1 1 1 17 46 13 o 0.9715000      1.183000      107.7403      -143.8 
1 1 1 17 46 14 o 1.788000       1.227000      115.6849      0.7    
1 1 1 17 46 15 o 1.041000       1.200000      120.3472      -91.5  
1 1 1 17 46 16 o 1.934000       1.481000      148.9671      42.6   
1 1 1 17 46 17 o 4.005000       1.516000      139.9703      -24.8  
1 1 1 17 46 18 o 4.040000       1.552000      140.0021      -43.4  
1 1 1 17 46 19 o -0.5513000     2.023000      133.5835      31.3   
1 1 1 17 46 20 o 2.747000       2.052000      133.8221      27.5   
1 1 1 17 46 21 o 2.244000       1.696000      156.3822      -2.2   
1 1 1 17 46 22 o 6.211000       1.680000      233.6079      -27.1  
1 1 1 17 46 23 o -2.260000      2.265000      ?             ?      
1 1 1 17 46 24 o -0.1335000     2.225000      ?             ?      
1 1 1 17 46 25 o -1.468000      1.570000      ?             ?      
1 1 1 17 46 26 o 2.218000       1.573000      ?             ?      
1 1 1 17 46 27 o -0.4530000     1.543000      ?             ?      
1 1 1 17 46 28 o -1.497000      1.572000      ?             ?      
1 1 1 17 46 29 o 0.8368000      1.553000      ?             ?      
1 1 1 17 46 30 o 0.2998000      1.540000      ?             ?      
1 1 1 17 46 31 o 0.6262000      1.571000      ?             ?      
1 1 1 17 46 32 o 3.122000       1.260000      ?             ?      
1 1 1 17 46 33 o 1.899000       1.295000      ?             ?      
1 1 1 17 46 34 o 1.647000       1.290000      ?             ?      
1 1 1 17 46 35 o 2.568000       1.254000      ?             ?      
1 1 1 17 46 36 o 0.4708000      1.224000      ?             ?      
1 1 1 17 46 37 o 0.6297000      1.350000      ?             ?      
1 1 1 17 46 38 o -0.5340000     1.205000      ?             ?      
1 1 1 17 46 39 o -0.4181000     1.143000      ?             ?      
1 1 1 17 46 40 o 0.3716000      1.309000      ?             ?      
1 1 1 17 46 41 o 1.022000       1.152000      ?             ?      
1 1 1 17 46 42 o -1.458000      1.126000      ?             ?      
1 1 1 17 46 43 o 0.7214000      1.123000      ?             ?      
1 1 1 17 46 44 o -1.664000      1.148000      ?             ?      
1 1 1 17 46 45 o 0.6321000E-01  1.714000      ?             ?      
1 1 1 17 46 46 o -0.8246000     1.143000      ?             ?      
1 1 1 17 46 47 o 0.4634000      1.178000      ?             ?      
1 1 1 17 46 48 o 1.171000       1.154000      ?             ?      
1 1 1 17 46 49 o -1.012000      1.046000      ?             ?      
1 1 1 17 46 50 o 0.9922000      1.084000      ?             ?      
1 1 1 17 46 51 o 0.2039000      1.352000      ?             ?      
1 1 1 17 47 0  o 1.865000       1.590000      47.06180      -90.0  
1 1 1 17 47 1  o 3.924000       1.088000      279.2682      -11.3  
1 1 1 17 47 2  o 1.237000       1.271000      40.88908      135.3  
1 1 1 17 47 3  o -0.8829000     1.158000      59.28688      -147.1 
1 1 1 17 47 4  o 1.209000       1.115000      38.04404      102.8  
1 1 1 17 47 5  o 0.8897000      1.138000      125.8250      -37.7  
1 1 1 17 47 6  o 0.9211000      0.9172000     52.05013      79.3   
1 1 1 17 47 7  o 6.066000       1.030000      251.6686      44.1   
1 1 1 17 47 8  o 2.192000       1.015000      134.7560      -8.0   
1 1 1 17 47 9  o 0.5973000      0.9383000     133.0971      21.7   
1 1 1 17 47 10 o -0.4203000     1.179000      160.6911      -69.4  
1 1 1 17 47 11 o 2.289000       1.209000      199.6506      -95.6  
1 1 1 17 47 12 o 1.690000       1.212000      182.3669      -38.1  
1 1 1 17 47 13 o 0.5835000      1.154000      102.8813      70.8   
1 1 1 17 47 14 o 2.427000       1.187000      238.9364      37.7   
1 1 1 17 47 15 o 4.240000       1.206000      179.8766      -144.4 
1 1 1 17 47 16 o 2.848000       1.446000      156.9700      106.9  
1 1 1 17 47 17 o 2.108000       1.491000      46.53012      146.7  
1 1 1 17 47 18 o 0.9985000      1.519000      151.0470      -157.0 
1 1 1 17 47 19 o -0.6564000     1.996000      68.04900      163.8  
1 1 1 17 47 20 o 7.147000       2.122000      ?             ?      
1 1 1 17 47 21 o 12.21000       1.731000      ?             ?      
1 1 1 17 47 22 o 0.2378000      1.610000      ?             ?      
1 1 1 17 47 23 o 3.219000       2.256000      ?             ?      
1 1 1 17 47 24 o -0.8618000     2.170000      ?             ?      
1 1 1 17 47 25 o 0.3728000      1.522000      ?             ?      
1 1 1 17 47 26 o -0.5310000     1.537000      ?             ?      
1 1 1 17 47 27 o 1.478000       1.558000      ?             ?      
1 1 1 17 47 28 o 0.5713000      1.536000      ?             ?      
1 1 1 17 47 29 o 0.4487000      1.546000      ?             ?      
1 1 1 17 47 30 o 1.231000       1.552000      ?             ?      
1 1 1 17 47 31 o 1.598000       1.550000      ?             ?      
1 1 1 17 47 32 o -1.749000      1.560000      ?             ?      
1 1 1 17 47 33 o 0.6106000E-02  1.216000      ?             ?      
1 1 1 17 47 34 o 0.5493000      1.290000      ?             ?      
1 1 1 17 47 35 o -1.210000      1.232000      ?             ?      
1 1 1 17 47 36 o 0.2533000      1.425000      ?             ?      
1 1 1 17 47 37 o -0.8375000     1.369000      ?             ?      
1 1 1 17 47 38 o 0.1986000      1.235000      ?             ?      
1 1 1 17 47 39 o 1.420000       1.355000      ?             ?      
1 1 1 17 47 40 o 1.504000       1.328000      ?             ?      
1 1 1 17 47 41 o -0.2949000     1.139000      ?             ?      
1 1 1 17 47 42 o 0.2507000      1.144000      ?             ?      
1 1 1 17 47 43 o -0.7957000     1.185000      ?             ?      
1 1 1 17 47 44 o 0.6228000      1.195000      ?             ?      
1 1 1 17 47 45 o 3.557000       2.352000      ?             ?      
1 1 1 17 47 46 o -0.6512000     1.511000      ?             ?      
1 1 1 17 47 47 o -0.5421000     1.148000      ?             ?      
1 1 1 17 47 48 o 1.082000       1.183000      ?             ?      
1 1 1 17 47 49 o 0.6363000      1.190000      ?             ?      
1 1 1 17 47 50 o 1.629000       1.294000      ?             ?      
1 1 1 17 48 0  o 2.928000       1.661000      252.4169      -90.0  
1 1 1 17 48 1  o 2.102000       1.270000      205.6022      -53.7  
1 1 1 17 48 2  o 3.120000       1.576000      84.36339      -150.0 
1 1 1 17 48 3  o 2.732000       1.536000      291.7778      -49.4  
1 1 1 17 48 4  o 0.1260000E-02  1.264000      53.81533      28.1   
1 1 1 17 48 5  o 0.9071000      1.012000      79.76247      90.3   
1 1 1 17 48 6  o 0.2108000      0.9193000     214.0638      117.5  
1 1 1 17 48 7  o 0.5682000      1.008000      103.4785      -25.2  
1 1 1 17 48 8  o 3.967000       1.028000      283.1534      53.7   
1 1 1 17 48 9  o 1.336000       0.9223000     170.0167      23.7   
1 1 1 17 48 10 o 1.628000       1.155000      219.4286      83.8   
1 1 1 17 48 11 o 3.296000       1.180000      195.5294      72.7   
1 1 1 17 48 12 o 3.717000       1.181000      167.7980      91.9   
1 1 1 17 48 13 o 3.217000       1.145000      171.0782      142.4  
1 1 1 17 48 14 o 1.616000       1.167000      146.4070      -86.7  
1 1 1 17 48 15 o -0.2079000     1.136000      79.72029      -173.0 
1 1 1 17 48 16 o 2.117000       1.457000      137.8119      -6.2   
1 1 1 17 48 17 o 3.577000       1.494000      ?             ?      
1 1 1 17 48 18 o 0.8703000      1.905000      ?             ?      
1 1 1 17 48 19 o -0.5566000E-01 1.985000      ?             ?      
1 1 1 17 48 20 o -0.8490000     1.564000      ?             ?      
1 1 1 17 48 21 o 4.112000       1.643000      ?             ?      
1 1 1 17 48 22 f 6.150000       2.290000      ?             ?      
1 1 1 17 48 23 o -1.157000      2.166000      ?             ?      
1 1 1 17 48 24 o 0.5981000      1.473000      ?             ?      
1 1 1 17 48 25 o 0.7734000      1.488000      ?             ?      
1 1 1 17 48 26 o -0.5249000     1.501000      ?             ?      
1 1 1 17 48 27 o 3.854000       1.539000      ?             ?      
1 1 1 17 48 28 o 1.093000       1.477000      ?             ?      
1 1 1 17 48 29 o 3.816000       1.535000      ?             ?      
1 1 1 17 48 30 o 2.342000       1.526000      ?             ?      
1 1 1 17 48 31 o 1.204000       1.540000      ?             ?      
1 1 1 17 48 32 o -0.1254000     1.562000      ?             ?      
1 1 1 17 48 33 o 0.5485000      1.567000      ?             ?      
1 1 1 17 48 34 o -2.986000      1.560000      ?             ?      
1 1 1 17 48 35 o -2.186000      1.226000      ?             ?      
1 1 1 17 48 36 o 0.7756000      1.440000      ?             ?      
1 1 1 17 48 37 o -0.1625000     1.238000      ?             ?      
1 1 1 17 48 38 o 0.8395000      1.458000      ?             ?      
1 1 1 17 48 39 o -2.383000      1.415000      ?             ?      
1 1 1 17 48 40 o 0.6071000      1.226000      ?             ?      
1 1 1 17 48 41 o 0.3007000      1.228000      ?             ?      
1 1 1 17 48 42 o 0.5745000      1.232000      ?             ?      
1 1 1 17 48 43 o -0.7635000     1.168000      ?             ?      
1 1 1 17 48 44 o -0.4235000     1.190000      ?             ?      
1 1 1 17 48 45 o -1.208000      1.198000      ?             ?      
1 1 1 17 48 46 o -0.1259000     1.639000      ?             ?      
1 1 1 17 48 47 o 2.018000       1.692000      ?             ?      
1 1 1 17 48 48 o -3.658000      4.614000      ?             ?      
1 1 1 17 48 49 o -0.4638000     1.560000      ?             ?      
1 1 1 17 49 0  o 6.706000       1.496000      323.0344      90.0   
1 1 1 17 49 1  o 2.390000       1.240000      276.2492      -53.0  
1 1 1 17 49 2  o -0.3038000     1.299000      121.4355      115.1  
1 1 1 17 49 3  o 1.791000       1.304000      198.0877      135.7  
1 1 1 17 49 4  o 0.3277000      1.214000      148.9101      67.2   
1 1 1 17 49 5  o -0.4923000     1.037000      64.72842      -63.1  
1 1 1 17 49 6  o -0.5408000     0.9125000     42.18559      145.0  
1 1 1 17 49 7  o 3.454000       1.058000      293.9253      40.1   
1 1 1 17 49 8  o -0.8176000E-01 1.078000      124.2874      131.8  
1 1 1 17 49 9  o -0.1901000     0.9122000     99.04298      107.7  
1 1 1 17 49 10 o 1.736000       1.122000      130.9743      18.1   
1 1 1 17 49 11 o 0.7378000      1.126000      24.10869      -159.7 
1 1 1 17 49 12 o -0.6491000     1.137000      ?             ?      
1 1 1 17 49 13 o 1.296000       1.132000      ?             ?      
1 1 1 17 49 14 o -0.5301000     1.129000      ?             ?      
1 1 1 17 49 15 o -0.9439000     1.124000      ?             ?      
1 1 1 17 49 16 o 0.1034000      1.432000      ?             ?      
1 1 1 17 49 17 o 1.482000       1.470000      ?             ?      
1 1 1 17 49 18 o 1.962000       1.941000      ?             ?      
1 1 1 17 49 19 o -0.6935000     1.936000      ?             ?      
1 1 1 17 49 20 f 7.098000       1.586000      ?             ?      
1 1 1 17 49 21 o 1.786000       1.546000      ?             ?      
1 1 1 17 49 22 o -1.658000      2.018000      ?             ?      
1 1 1 17 49 23 o 3.260000       1.991000      ?             ?      
1 1 1 17 49 24 o 0.3632000E-01  1.436000      ?             ?      
1 1 1 17 49 25 o 3.507000       1.477000      ?             ?      
1 1 1 17 49 26 o 1.503000       1.476000      ?             ?      
1 1 1 17 49 27 o 2.430000       1.495000      ?             ?      
1 1 1 17 49 28 o 4.367000       1.521000      ?             ?      
1 1 1 17 49 29 o 0.8119000      1.490000      ?             ?      
1 1 1 17 49 30 o 1.764000       1.532000      ?             ?      
1 1 1 17 49 31 o 1.287000       1.534000      ?             ?      
1 1 1 17 49 32 o 1.240000       1.520000      ?             ?      
1 1 1 17 49 33 o -0.1449000     1.543000      ?             ?      
1 1 1 17 49 34 o -0.7559000     1.521000      ?             ?      
1 1 1 17 49 35 o 0.9221000      2.108000      ?             ?      
1 1 1 17 49 36 o -0.4016000     1.400000      ?             ?      
1 1 1 17 49 37 o 2.152000       1.264000      ?             ?      
1 1 1 17 49 38 o 2.988000       1.477000      ?             ?      
1 1 1 17 49 39 o 0.5300000      1.434000      ?             ?      
1 1 1 17 49 40 o 0.9400000      1.220000      ?             ?      
1 1 1 17 49 41 o 0.3498000      1.280000      ?             ?      
1 1 1 17 49 42 o -0.1399000     1.265000      ?             ?      
1 1 1 17 49 43 o 1.129000       1.253000      ?             ?      
1 1 1 17 49 44 o 0.6075000      1.253000      ?             ?      
1 1 1 17 49 45 o 0.1412000      1.195000      ?             ?      
1 1 1 17 49 46 o -0.5203000     1.210000      ?             ?      
1 1 1 17 49 47 o -1.139000      2.327000      ?             ?      
1 1 1 17 50 0  o 4.885000       1.405000      321.7100      90.0   
1 1 1 17 50 1  o 0.8980000      1.005000      119.0080      149.7  
1 1 1 17 50 2  o 7.273000       1.372000      408.6983      -91.2  
1 1 1 17 50 3  o 0.7411000      1.365000      53.02887      -87.7  
1 1 1 17 50 4  o 11.90000       1.466000      ?             ?      
1 1 1 17 50 5  o 2.931000       1.211000      ?             ?      
1 1 1 17 50 6  o -0.8995000E-01 0.9817000     ?             ?      
1 1 1 17 50 7  o 5.913000       0.9136000     ?             ?      
1 1 1 17 50 8  o 1.745000       0.8740000     ?             ?      
1 1 1 17 50 9  o 0.4802000E-01  0.8762000     ?             ?      
1 1 1 17 50 10 o 2.080000       1.128000      ?             ?      
1 1 1 17 50 11 o 2.465000       1.130000      ?             ?      
1 1 1 17 50 12 o 3.181000       1.146000      ?             ?      
1 1 1 17 50 13 o 1.325000       1.121000      ?             ?      
1 1 1 17 50 14 o 0.7331000      1.111000      ?             ?      
1 1 1 17 50 15 o 1.843000       1.140000      ?             ?      
1 1 1 17 50 16 o 2.453000       1.438000      ?             ?      
1 1 1 17 50 17 o 0.3110000      1.845000      ?             ?      
1 1 1 17 50 18 o -0.8772000     1.950000      ?             ?      
1 1 1 17 50 19 o 2.037000       1.483000      ?             ?      
1 1 1 17 50 20 o -0.3273000     1.454000      ?             ?      
1 1 1 17 50 21 o -0.9689000E-01 1.941000      ?             ?      
1 1 1 17 50 22 o 1.763000       1.907000      ?             ?      
1 1 1 17 50 23 o 0.5632000      1.423000      ?             ?      
1 1 1 17 50 24 o -1.021000      1.427000      ?             ?      
1 1 1 17 50 25 o 0.5309000      1.455000      ?             ?      
1 1 1 17 50 26 o 1.635000       1.483000      ?             ?      
1 1 1 17 50 27 o 1.880000       1.483000      ?             ?      
1 1 1 17 50 28 o 0.2544000      1.499000      ?             ?      
1 1 1 17 50 29 o -1.335000      1.498000      ?             ?      
1 1 1 17 50 30 o 1.782000       1.547000      ?             ?      
1 1 1 17 50 31 o 0.6405000      1.558000      ?             ?      
1 1 1 17 50 32 o 1.934000       1.549000      ?             ?      
1 1 1 17 50 33 o 2.791000       1.568000      ?             ?      
1 1 1 17 50 34 o -0.9769000     2.096000      ?             ?      
1 1 1 17 50 35 o 7.395000       2.186000      ?             ?      
1 1 1 17 50 36 o -3.649000      1.543000      ?             ?      
1 1 1 17 50 37 o 2.454000       2.271000      ?             ?      
1 1 1 17 50 38 o -0.7057000     1.448000      ?             ?      
1 1 1 17 50 39 o 1.370000       1.303000      ?             ?      
1 1 1 17 50 40 o 0.9496000      1.255000      ?             ?      
1 1 1 17 50 41 o -0.1538000     1.221000      ?             ?      
1 1 1 17 50 42 o 1.397000       1.235000      ?             ?      
1 1 1 17 50 43 o 1.913000       1.309000      ?             ?      
1 1 1 17 50 44 o 1.138000       1.266000      ?             ?      
1 1 1 17 50 45 o 1.919000       1.385000      ?             ?      
1 1 1 17 50 46 o -0.3075000     2.397000      ?             ?      
1 1 1 17 51 0  o 0.9088000      1.288000      ?             ?      
1 1 1 17 51 1  o 0.2659000      0.9876000     ?             ?      
1 1 1 17 51 2  o 1.430000       1.181000      ?             ?      
1 1 1 17 51 3  o 2.543000       1.400000      ?             ?      
1 1 1 17 51 4  o -1.385000      1.176000      ?             ?      
1 1 1 17 51 5  o 2.242000       1.005000      ?             ?      
1 1 1 17 51 6  o 5.168000       0.9258000     ?             ?      
1 1 1 17 51 7  o -0.9098000     0.8520000     ?             ?      
1 1 1 17 51 8  o 0.5971000      0.8994000     ?             ?      
1 1 1 17 51 9  o 1.219000       0.9131000     ?             ?      
1 1 1 17 51 10 o 2.880000       1.113000      ?             ?      
1 1 1 17 51 11 o -0.2808000     1.102000      ?             ?      
1 1 1 17 51 12 o 0.6216000      1.112000      ?             ?      
1 1 1 17 51 13 o -0.9299000E-01 1.094000      ?             ?      
1 1 1 17 51 14 o 2.480000       1.110000      ?             ?      
1 1 1 17 51 15 o 0.6344000      1.392000      ?             ?      
1 1 1 17 51 16 o -0.4594000     1.390000      ?             ?      
1 1 1 17 51 17 o 0.7749000      1.868000      ?             ?      
1 1 1 17 51 18 o -0.8788000     1.882000      ?             ?      
1 1 1 17 51 19 o -0.1603000     1.406000      ?             ?      
1 1 1 17 51 20 o -0.2744000     1.389000      ?             ?      
1 1 1 17 51 21 o -0.6666000     1.946000      ?             ?      
1 1 1 17 51 22 o 0.7775000      1.954000      ?             ?      
1 1 1 17 51 23 o 1.311000       1.453000      ?             ?      
1 1 1 17 51 24 o -1.245000      1.462000      ?             ?      
1 1 1 17 51 25 o -1.382000      1.464000      ?             ?      
1 1 1 17 51 26 o -0.5069000     1.475000      ?             ?      
1 1 1 17 51 27 o 1.621000       1.480000      ?             ?      
1 1 1 17 51 28 o -0.8563000     1.485000      ?             ?      
1 1 1 17 51 29 o 2.958000       1.507000      ?             ?      
1 1 1 17 51 30 o -1.582000      1.503000      ?             ?      
1 1 1 17 51 31 o -0.5741000     1.513000      ?             ?      
1 1 1 17 51 32 o 0.9425000      1.530000      ?             ?      
1 1 1 17 51 33 o 0.5546000      1.561000      ?             ?      
1 1 1 17 51 34 o 2.967000       2.140000      ?             ?      
1 1 1 17 51 35 o 0.4924000      2.064000      ?             ?      
1 1 1 17 51 36 o 0.1958000      1.609000      ?             ?      
1 1 1 17 51 37 o -0.4874000     2.205000      ?             ?      
1 1 1 17 51 38 o -0.6227000     2.223000      ?             ?      
1 1 1 17 51 39 o 0.9998000      1.258000      ?             ?      
1 1 1 17 51 40 o 0.4557000      1.255000      ?             ?      
1 1 1 17 51 41 o -0.1923000     1.316000      ?             ?      
1 1 1 17 51 42 o 3.084000       1.266000      ?             ?      
1 1 1 17 51 43 o 0.7188000      1.422000      ?             ?      
1 1 1 17 51 44 o 3.613000       2.393000      ?             ?      
1 1 1 17 52 0  o 0.4276000      1.241000      ?             ?      
1 1 1 17 52 1  o 1.145000       0.9654000     ?             ?      
1 1 1 17 52 2  o 1.193000       1.205000      ?             ?      
1 1 1 17 52 3  o 4.776000       1.249000      ?             ?      
1 1 1 17 52 4  o 1.153000       1.193000      ?             ?      
1 1 1 17 52 5  o 1.034000       0.9613000     ?             ?      
1 1 1 17 52 6  o 2.168000       0.8631000     ?             ?      
1 1 1 17 52 7  o 2.021000       0.8836000     ?             ?      
1 1 1 17 52 8  o 1.394000       0.8503000     ?             ?      
1 1 1 17 52 9  o 2.187000       0.8807000     ?             ?      
1 1 1 17 52 10 o -0.2203000E-01 1.282000      ?             ?      
1 1 1 17 52 11 o 1.953000       1.181000      ?             ?      
1 1 1 17 52 12 o -0.3859000     1.094000      ?             ?      
1 1 1 17 52 13 o -1.057000      1.076000      ?             ?      
1 1 1 17 52 14 o 2.619000       1.122000      ?             ?      
1 1 1 17 52 15 o -0.8650000     1.352000      ?             ?      
1 1 1 17 52 16 o -2.700000      1.801000      ?             ?      
1 1 1 17 52 17 o 1.649000       1.925000      ?             ?      
1 1 1 17 52 18 o -1.179000      1.387000      ?             ?      
1 1 1 17 52 19 o 1.962000       1.379000      ?             ?      
1 1 1 17 52 20 o -0.6240000     1.404000      ?             ?      
1 1 1 17 52 21 o -3.202000      2.005000      ?             ?      
1 1 1 17 52 22 o -0.7404000E-01 1.462000      ?             ?      
1 1 1 17 52 23 o 2.999000       1.470000      ?             ?      
1 1 1 17 52 24 o 0.7463000      1.457000      ?             ?      
1 1 1 17 52 25 f 1.045000       1.458000      ?             ?      
1 1 1 17 52 26 o 2.130000       1.484000      ?             ?      
1 1 1 17 52 27 o -1.064000      1.447000      ?             ?      
1 1 1 17 52 28 o -0.3943000     1.466000      ?             ?      
1 1 1 17 52 29 o -0.3560000     1.473000      ?             ?      
1 1 1 17 52 30 o -0.4298000     1.482000      ?             ?      
1 1 1 17 52 31 o 3.281000       1.564000      ?             ?      
1 1 1 17 52 32 o -0.5049000     1.509000      ?             ?      
1 1 1 17 52 33 o 0.9104000      2.095000      ?             ?      
1 1 1 17 52 34 o 3.265000       2.132000      ?             ?      
1 1 1 17 52 35 o -0.7618000     1.635000      ?             ?      
1 1 1 17 52 36 o 2.421000       2.465000      ?             ?      
1 1 1 17 52 37 o -0.7826000     2.251000      ?             ?      
1 1 1 17 52 38 o 0.2982000      3.128000      ?             ?      
1 1 1 17 52 39 o -1.641000      1.623000      ?             ?      
1 1 1 17 52 40 o 1.820000       1.669000      ?             ?      
1 1 1 17 52 41 o -0.5293000     1.474000      ?             ?      
1 1 1 17 52 42 o 0.6491000      1.474000      ?             ?      
1 1 1 17 52 43 o -1.125000      2.361000      ?             ?      
1 1 1 17 53 0  o 2.775000       1.231000      ?             ?      
1 1 1 17 53 1  o 4.015000       0.8765000     ?             ?      
1 1 1 17 53 2  o 0.8721000      0.9470000     ?             ?      
1 1 1 17 53 3  o -1.432000      1.082000      ?             ?      
1 1 1 17 53 4  o 0.8177000      1.243000      ?             ?      
1 1 1 17 53 5  o 0.8799000      1.067000      ?             ?      
1 1 1 17 53 6  o 1.967000       0.8992000     ?             ?      
1 1 1 17 53 7  o -0.2307000E-01 0.8095000     ?             ?      
1 1 1 17 53 8  o 0.8022000      0.8232000     ?             ?      
1 1 1 17 53 9  o -0.4440000     0.8367000     ?             ?      
1 1 1 17 53 10 o 2.431000       1.235000      ?             ?      
1 1 1 17 53 11 o -0.8028000E-01 1.070000      ?             ?      
1 1 1 17 53 12 o -0.3448000     1.256000      ?             ?      
1 1 1 17 53 13 o 1.515000       1.234000      ?             ?      
1 1 1 17 53 14 o -2.406000      1.067000      ?             ?      
1 1 1 17 53 15 o -1.100000      1.376000      ?             ?      
1 1 1 17 53 16 o 3.709000       1.919000      ?             ?      
1 1 1 17 53 17 o -2.775000      1.437000      ?             ?      
1 1 1 17 53 18 o -0.1173000     1.423000      ?             ?      
1 1 1 17 53 19 o 1.561000       1.430000      ?             ?      
1 1 1 17 53 20 o -2.145000      2.001000      ?             ?      
1 1 1 17 53 21 o -2.050000      2.024000      ?             ?      
1 1 1 17 53 22 o 0.3104000      1.417000      ?             ?      
1 1 1 17 53 23 o -1.039000      1.426000      ?             ?      
1 1 1 17 53 24 o 1.915000       1.428000      ?             ?      
1 1 1 17 53 25 o 0.4647000E-01  1.424000      ?             ?      
1 1 1 17 53 26 o 2.478000       1.471000      ?             ?      
1 1 1 17 53 27 o 0.1930000E-01  1.444000      ?             ?      
1 1 1 17 53 28 o 2.796000       1.497000      ?             ?      
1 1 1 17 53 29 o -0.6283000     1.566000      ?             ?      
1 1 1 17 53 30 o 0.9777000      1.561000      ?             ?      
1 1 1 17 53 31 o 0.4031000      1.616000      ?             ?      
1 1 1 17 53 32 o -1.976000      1.601000      ?             ?      
1 1 1 17 53 33 o -2.293000      2.080000      ?             ?      
1 1 1 17 53 34 o 1.273000       1.669000      ?             ?      
1 1 1 17 53 35 o -0.6677000     1.693000      ?             ?      
1 1 1 17 53 36 o 1.520000       2.312000      ?             ?      
1 1 1 17 53 37 o -0.6440000     2.243000      ?             ?      
1 1 1 17 53 38 o 4.745000       1.690000      ?             ?      
1 1 1 17 53 39 o 1.908000       1.631000      ?             ?      
1 1 1 17 53 40 o -0.1301000     2.314000      ?             ?      
1 1 1 17 53 41 o 1.206000       2.334000      ?             ?      
1 1 1 17 54 0  o -0.7659000     1.165000      ?             ?      
1 1 1 17 54 1  o -0.3834000     0.9333000     ?             ?      
1 1 1 17 54 2  o 1.433000       0.9425000     ?             ?      
1 1 1 17 54 3  o -0.2906000     1.083000      ?             ?      
1 1 1 17 54 4  o 1.137000       1.090000      ?             ?      
1 1 1 17 54 5  o 1.243000       0.9946000     ?             ?      
1 1 1 17 54 6  o 1.392000       0.8898000     ?             ?      
1 1 1 17 54 7  o 0.4671000      0.8088000     ?             ?      
1 1 1 17 54 8  o 1.317000       0.8753000     ?             ?      
1 1 1 17 54 9  o 0.9726000      1.111000      ?             ?      
1 1 1 17 54 10 o -0.5464000     1.056000      ?             ?      
1 1 1 17 54 11 o 0.4076000      1.062000      ?             ?      
1 1 1 17 54 12 o 0.9764000      1.212000      ?             ?      
1 1 1 17 54 13 o 0.3721000      1.185000      ?             ?      
1 1 1 17 54 14 o 1.995000       1.084000      ?             ?      
1 1 1 17 54 15 o -1.176000      0.9211000     ?             ?      
1 1 1 17 54 16 o 1.886000       1.318000      ?             ?      
1 1 1 17 54 17 o 1.274000       1.984000      ?             ?      
1 1 1 17 54 18 o 2.365000       1.444000      ?             ?      
1 1 1 17 54 19 o -0.4108000     1.416000      ?             ?      
1 1 1 17 54 20 o 2.820000       2.099000      ?             ?      
1 1 1 17 54 21 o -0.5649000     1.435000      ?             ?      
1 1 1 17 54 22 o 2.031000       1.451000      ?             ?      
1 1 1 17 54 23 o 1.410000       1.441000      ?             ?      
1 1 1 17 54 24 o 0.6625000      1.443000      ?             ?      
1 1 1 17 54 25 o -0.3946000     1.425000      ?             ?      
1 1 1 17 54 26 o -1.055000      1.520000      ?             ?      
1 1 1 17 54 27 o 2.287000       1.569000      ?             ?      
1 1 1 17 54 28 o 1.026000       1.567000      ?             ?      
1 1 1 17 54 29 o -0.2568000     1.584000      ?             ?      
1 1 1 17 54 30 o 3.536000       1.629000      ?             ?      
1 1 1 17 54 31 o 2.429000       1.621000      ?             ?      
1 1 1 17 54 32 o 1.183000       2.166000      ?             ?      
1 1 1 17 54 33 o 1.885000       2.202000      ?             ?      
1 1 1 17 54 34 o -0.2920000     1.731000      ?             ?      
1 1 1 17 54 35 o 3.628000       2.331000      ?             ?      
1 1 1 17 54 36 o 0.8623000      2.306000      ?             ?      
1 1 1 17 54 37 o 1.025000       1.355000      ?             ?      
1 1 1 17 54 38 o 2.182000       2.394000      ?             ?      
1 1 1 17 54 39 o 2.143000       3.108000      ?             ?      
1 1 1 17 55 0  o -1.963000      1.146000      ?             ?      
1 1 1 17 55 1  o 0.6785000E-01  0.9323000     ?             ?      
1 1 1 17 55 2  o 1.827000       0.9683000     ?             ?      
1 1 1 17 55 3  o 1.256000       0.9582000     ?             ?      
1 1 1 17 55 4  o 0.2108000      0.9726000     ?             ?      
1 1 1 17 55 5  o 1.649000       0.9901000     ?             ?      
1 1 1 17 55 6  o 1.103000       0.8784000     ?             ?      
1 1 1 17 55 7  o 3.989000       0.8003000     ?             ?      
1 1 1 17 55 8  o 0.1541000      0.7795000     ?             ?      
1 1 1 17 55 9  o 0.1059000      1.064000      ?             ?      
1 1 1 17 55 10 o 2.213000       1.057000      ?             ?      
1 1 1 17 55 11 o -1.727000      1.032000      ?             ?      
1 1 1 17 55 12 o 0.2138000      1.066000      ?             ?      
1 1 1 17 55 13 o 0.6515000E-01  1.035000      ?             ?      
1 1 1 17 55 14 o -0.7395000     1.090000      ?             ?      
1 1 1 17 55 15 o 1.316000       1.778000      ?             ?      
1 1 1 17 55 16 o -0.5688000     1.871000      ?             ?      
1 1 1 17 55 17 o 1.910000       1.887000      ?             ?      
1 1 1 17 55 18 o -0.1420000     1.421000      ?             ?      
1 1 1 17 55 19 o 2.914000       2.037000      ?             ?      
1 1 1 17 55 20 o 2.234000       2.056000      ?             ?      
1 1 1 17 55 21 o -2.783000      2.076000      ?             ?      
1 1 1 17 55 22 o 1.759000       1.431000      ?             ?      
1 1 1 17 55 23 o -1.545000      1.412000      ?             ?      
1 1 1 17 55 24 o -0.2195000     1.549000      ?             ?      
1 1 1 17 55 25 o 1.770000       1.589000      ?             ?      
1 1 1 17 55 26 o 4.906000       1.645000      ?             ?      
1 1 1 17 55 27 o 1.786000       1.600000      ?             ?      
1 1 1 17 55 28 o 0.3426000      1.599000      ?             ?      
1 1 1 17 55 29 o 2.243000       1.611000      ?             ?      
1 1 1 17 55 30 o 2.891000       1.642000      ?             ?      
1 1 1 17 55 31 o 0.2463000      2.134000      ?             ?      
1 1 1 17 55 32 o -1.105000      2.155000      ?             ?      
1 1 1 17 55 33 o -4.758000      3.001000      ?             ?      
1 1 1 17 55 34 o 3.162000       1.696000      ?             ?      
1 1 1 17 55 35 o 2.736000       2.343000      ?             ?      
1 1 1 17 55 36 o 2.068000       2.367000      ?             ?      
1 1 1 17 55 37 o 0.6796000      1.675000      ?             ?      
1 1 1 17 56 0  o -1.115000      1.153000      ?             ?      
1 1 1 17 56 1  o 1.238000       0.9216000     ?             ?      
1 1 1 17 56 2  o 0.3276000      0.9454000     ?             ?      
1 1 1 17 56 3  o 0.4494000      0.9368000     ?             ?      
1 1 1 17 56 4  o 2.513000       0.9406000     ?             ?      
1 1 1 17 56 5  o -0.8144000     0.9742000     ?             ?      
1 1 1 17 56 6  f -0.6634000     0.8650000     ?             ?      
1 1 1 17 56 7  o -0.1630000     0.7738000     ?             ?      
1 1 1 17 56 8  o -0.2786000     0.7728000     ?             ?      
1 1 1 17 56 9  o 1.359000       1.069000      ?             ?      
1 1 1 17 56 10 o 0.3384000      1.035000      ?             ?      
1 1 1 17 56 11 o 1.522000       1.032000      ?             ?      
1 1 1 17 56 12 f -1.160000      1.028000      ?             ?      
1 1 1 17 56 13 o 0.5316000      1.053000      ?             ?      
1 1 1 17 56 14 o 1.379000       1.732000      ?             ?      
1 1 1 17 56 15 o 0.6696000      1.796000      ?             ?      
1 1 1 17 56 16 o 1.345000       1.431000      ?             ?      
1 1 1 17 56 17 o 0.3948000      1.405000      ?             ?      
1 1 1 17 56 18 o 0.1958000      1.441000      ?             ?      
1 1 1 17 56 19 o -0.4327000E-01 0.8326000     ?             ?      
1 1 1 17 56 20 o 2.406000       0.8362000     ?             ?      
1 1 1 17 56 21 o 0.6173000      1.891000      ?             ?      
1 1 1 17 56 22 o -1.025000      1.454000      ?             ?      
1 1 1 17 56 23 o -2.870000      2.135000      ?             ?      
1 1 1 17 56 24 o 0.6494000      2.132000      ?             ?      
1 1 1 17 56 25 o -0.4016000     2.185000      ?             ?      
1 1 1 17 56 26 o 1.645000       1.610000      ?             ?      
1 1 1 17 56 27 o 1.141000       1.594000      ?             ?      
1 1 1 17 56 28 o -0.8609000     1.607000      ?             ?      
1 1 1 17 56 29 o 4.091000       1.673000      ?             ?      
1 1 1 17 56 30 o -2.069000      1.683000      ?             ?      
1 1 1 17 56 31 o 5.787000       2.240000      ?             ?      
1 1 1 17 56 32 o -1.220000      1.481000      ?             ?      
1 1 1 17 56 33 o 1.659000       2.314000      ?             ?      
1 1 1 17 56 34 o -3.963000      2.277000      ?             ?      
1 1 1 17 56 35 o 3.315000       2.325000      ?             ?      
1 1 1 17 57 0  o 0.2947000      1.138000      ?             ?      
1 1 1 17 57 1  o -0.7248000     0.8974000     ?             ?      
1 1 1 17 57 2  o -0.7423000E-01 0.9148000     ?             ?      
1 1 1 17 57 3  o -1.091000      0.9115000     ?             ?      
1 1 1 17 57 4  o -1.072000      0.9255000     ?             ?      
1 1 1 17 57 5  o -0.6312000     0.9643000     ?             ?      
1 1 1 17 57 6  o 1.156000       0.9828000     ?             ?      
1 1 1 17 57 7  o 0.4507000      0.8117000     ?             ?      
1 1 1 17 57 8  o 1.234000       0.7870000     ?             ?      
1 1 1 17 57 9  o 2.645000       1.080000      ?             ?      
1 1 1 17 57 10 o 0.5150000      1.047000      ?             ?      
1 1 1 17 57 11 o 0.9020000      1.025000      ?             ?      
1 1 1 17 57 12 o -0.2737000     1.035000      ?             ?      
1 1 1 17 57 13 o 1.102000       1.203000      ?             ?      
1 1 1 17 57 14 o 1.789000       1.758000      ?             ?      
1 1 1 17 57 15 o 0.8927000      1.466000      ?             ?      
1 1 1 17 57 16 o 0.4621000      1.386000      ?             ?      
1 1 1 17 57 17 o -1.501000      1.380000      ?             ?      
1 1 1 17 57 18 f 1.237000       1.988000      ?             ?      
1 1 1 17 57 19 o -0.1568000     2.022000      ?             ?      
1 1 1 17 57 20 o 0.4404000      1.429000      ?             ?      
1 1 1 17 57 21 o 0.9160000      1.430000      ?             ?      
1 1 1 17 57 22 o -1.929000      1.502000      ?             ?      
1 1 1 17 57 23 o -1.729000      1.969000      ?             ?      
1 1 1 17 57 24 f 0.4966000      2.018000      ?             ?      
1 1 1 17 57 25 o 0.8198000      2.036000      ?             ?      
1 1 1 17 57 26 o 1.493000       1.585000      ?             ?      
1 1 1 17 57 27 o -0.7181000     2.218000      ?             ?      
1 1 1 17 57 28 o -3.311000      2.192000      ?             ?      
1 1 1 17 57 29 o 2.203000       1.389000      ?             ?      
1 1 1 17 57 30 o -1.063000      1.375000      ?             ?      
1 1 1 17 57 31 o 3.205000       2.304000      ?             ?      
1 1 1 17 57 32 o -3.751000      3.024000      ?             ?      
1 1 1 17 57 33 o 0.4844000E-01  1.656000      ?             ?      
1 1 1 17 58 0  o -0.2996000E-01 1.118000      ?             ?      
1 1 1 17 58 1  o 1.711000       0.8901000     ?             ?      
1 1 1 17 58 2  o 0.6493000      0.8118000     ?             ?      
1 1 1 17 58 3  o 0.9989000      0.9092000     ?             ?      
1 1 1 17 58 4  o -0.9910000     0.9161000     ?             ?      
1 1 1 17 58 5  o -0.2543000     0.9397000     ?             ?      
1 1 1 17 58 6  o 0.2448000      0.9753000     ?             ?      
1 1 1 17 58 7  o -0.3653000     0.8548000     ?             ?      
1 1 1 17 58 8  o 1.087000       0.7737000     ?             ?      
1 1 1 17 58 9  o -0.1558000     1.071000      ?             ?      
1 1 1 17 58 10 o 1.737000       1.059000      ?             ?      
1 1 1 17 58 11 o 1.606000       1.044000      ?             ?      
1 1 1 17 58 12 o 0.7359000      1.049000      ?             ?      
1 1 1 17 58 13 o 4.270000       1.276000      ?             ?      
1 1 1 17 58 14 o 1.185000       1.817000      ?             ?      
1 1 1 17 58 15 o 0.2623000      1.452000      ?             ?      
1 1 1 17 58 16 o 0.9856000      1.383000      ?             ?      
1 1 1 17 58 17 o 0.5364000      1.394000      ?             ?      
1 1 1 17 58 18 o 0.1875000      2.023000      ?             ?      
1 1 1 17 58 19 o 2.098000       0.7940000     ?             ?      
1 1 1 17 58 20 o 1.433000       1.501000      ?             ?      
1 1 1 17 58 21 o 1.059000       1.522000      ?             ?      
1 1 1 17 58 22 o 0.5104000      1.537000      ?             ?      
1 1 1 17 58 23 o 4.097000       1.575000      ?             ?      
1 1 1 17 58 24 o 4.482000       1.626000      ?             ?      
1 1 1 17 58 25 o 0.5008000      1.592000      ?             ?      
1 1 1 17 58 26 o 0.1502000      1.622000      ?             ?      
1 1 1 17 58 27 o 0.4894000      1.327000      ?             ?      
1 1 1 17 58 28 o 0.3893000      2.098000      ?             ?      
1 1 1 17 58 29 o 1.675000       2.142000      ?             ?      
1 1 1 17 58 30 o -0.3524000     2.184000      ?             ?      
1 1 1 17 58 31 o -3.741000      2.369000      ?             ?      
1 1 1 17 59 0  o 2.725000       1.408000      ?             ?      
1 1 1 17 59 1  o 0.6372000      0.9238000     ?             ?      
1 1 1 17 59 2  o -0.5646000     0.8083000     ?             ?      
1 1 1 17 59 3  f -1.323000      0.9027000     ?             ?      
1 1 1 17 59 4  o 0.9230000      0.8004000     ?             ?      
1 1 1 17 59 5  o -1.291000      0.9434000     ?             ?      
1 1 1 17 59 6  o 0.5183000      0.9811000     ?             ?      
1 1 1 17 59 7  o -1.639000      0.8615000     ?             ?      
1 1 1 17 59 8  o -0.2309000     0.7764000     ?             ?      
1 1 1 17 59 9  o 0.2878000      1.081000      ?             ?      
1 1 1 17 59 10 o 3.242000       1.059000      ?             ?      
1 1 1 17 59 11 o 0.1913000E-01  1.034000      ?             ?      
1 1 1 17 59 12 o 0.3682000      1.188000      ?             ?      
1 1 1 17 59 13 o 1.025000       1.818000      ?             ?      
1 1 1 17 59 14 o -1.105000      1.448000      ?             ?      
1 1 1 17 59 15 o -2.088000      1.379000      ?             ?      
1 1 1 17 59 16 o 0.9172000      1.416000      ?             ?      
1 1 1 17 59 17 o -1.107000      2.050000      ?             ?      
1 1 1 17 59 18 o -0.3013000     2.021000      ?             ?      
1 1 1 17 59 19 o -0.9076000     1.415000      ?             ?      
1 1 1 17 59 20 o -0.6202000     1.491000      ?             ?      
1 1 1 17 59 21 o 0.9564000      1.526000      ?             ?      
1 1 1 17 59 22 o 1.713000       1.300000      ?             ?      
1 1 1 17 59 23 o -0.4023000E-02 1.550000      ?             ?      
1 1 1 17 59 24 o -0.1449000     1.580000      ?             ?      
1 1 1 17 59 25 o 1.821000       1.590000      ?             ?      
1 1 1 17 59 26 o 0.7641000      1.599000      ?             ?      
1 1 1 17 59 27 o -1.170000      1.626000      ?             ?      
1 1 1 17 59 28 o 0.7721000      1.635000      ?             ?      
1 1 1 17 60 0  o 0.4819000      1.396000      ?             ?      
1 1 1 17 60 1  o -1.125000      0.9234000     ?             ?      
1 1 1 17 60 2  f -0.4045000     0.8249000     ?             ?      
1 1 1 17 60 3  o 1.193000       0.9801000     ?             ?      
1 1 1 17 60 4  o -0.4840000     0.8865000     ?             ?      
1 1 1 17 60 5  o 0.7184000E-01  0.9241000     ?             ?      
1 1 1 17 60 6  o 0.8881000      0.9952000     ?             ?      
1 1 1 17 60 7  o 0.9177000      0.8739000     ?             ?      
1 1 1 17 60 8  o 0.1976000      0.8108000     ?             ?      
1 1 1 17 60 9  o -1.113000      1.026000      ?             ?      
1 1 1 17 60 10 o 0.2570000      1.050000      ?             ?      
1 1 1 17 60 11 o 1.117000       1.049000      ?             ?      
1 1 1 17 60 12 o -1.801000      1.183000      ?             ?      
1 1 1 17 60 13 o -0.2595000     1.032000      ?             ?      
1 1 1 17 60 14 f 1.259000       1.449000      ?             ?      
1 1 1 17 60 15 o 3.131000       1.434000      ?             ?      
1 1 1 17 60 16 o 0.2502000      1.401000      ?             ?      
1 1 1 17 60 17 o -1.259000      2.076000      ?             ?      
1 1 1 17 60 18 o 0.8718000      0.9019000     ?             ?      
1 1 1 17 60 19 o -1.738000      1.440000      ?             ?      
1 1 1 17 60 20 o 0.7870000      2.740000      ?             ?      
1 1 1 17 60 21 o 0.1640000      1.524000      ?             ?      
1 1 1 17 60 22 o -0.4139000     1.528000      ?             ?      
1 1 1 17 60 23 o -0.5015000E-01 1.557000      ?             ?      
1 1 1 17 60 24 o 0.7437000      1.581000      ?             ?      
1 1 1 17 60 25 o 0.5835000      1.584000      ?             ?      
1 1 1 17 60 26 o 4.920000       2.906000      ?             ?      
1 1 1 17 61 0  o 1.277000       1.407000      ?             ?      
1 1 1 17 61 1  o -0.2501000     0.9314000     ?             ?      
1 1 1 17 61 2  o 0.4538000      0.8275000     ?             ?      
1 1 1 17 61 3  o -0.3528000     0.9839000     ?             ?      
1 1 1 17 61 4  o 0.3818000      0.8858000     ?             ?      
1 1 1 17 61 5  o 0.6201000E-02  0.9290000     ?             ?      
1 1 1 17 61 6  o -1.642000      1.003000      ?             ?      
1 1 1 17 61 7  o 0.9216000      1.033000      ?             ?      
1 1 1 17 61 8  o 0.7814000      0.8620000     ?             ?      
1 1 1 17 61 9  o -1.004000      1.025000      ?             ?      
1 1 1 17 61 10 o 0.3373000      1.049000      ?             ?      
1 1 1 17 61 11 o -0.9180000     1.174000      ?             ?      
1 1 1 17 61 12 o 1.364000       1.211000      ?             ?      
1 1 1 17 61 13 o -4.502000      3.496000      ?             ?      
1 1 1 17 61 14 o 1.034000       1.476000      ?             ?      
1 1 1 17 61 15 o -0.7329000     1.399000      ?             ?      
1 1 1 17 61 16 o -0.4783000     1.416000      ?             ?      
1 1 1 17 61 17 o -0.8533000     2.026000      ?             ?      
1 1 1 17 61 18 o -1.202000      2.028000      ?             ?      
1 1 1 17 61 19 o 2.180000       1.494000      ?             ?      
1 1 1 17 61 20 o -0.9048000     1.416000      ?             ?      
1 1 1 17 61 21 o 3.227000       1.552000      ?             ?      
1 1 1 17 61 22 o 2.003000       1.545000      ?             ?      
1 1 1 17 62 0  o -0.4552000     1.424000      ?             ?      
1 1 1 17 62 1  o 0.9649000      0.9468000     ?             ?      
1 1 1 17 62 2  o 0.9760000E-01  1.185000      ?             ?      
1 1 1 17 62 3  o 0.4850000      0.9881000     ?             ?      
1 1 1 17 62 4  o 0.2235000      0.8872000     ?             ?      
1 1 1 17 62 5  o 0.2842000      0.9321000     ?             ?      
1 1 1 17 62 6  o 0.2449000      1.026000      ?             ?      
1 1 1 17 62 7  o 0.7020000      1.075000      ?             ?      
1 1 1 17 62 8  o -1.098000      1.240000      ?             ?      
1 1 1 17 62 9  o -0.3820000     1.065000      ?             ?      
1 1 1 17 62 10 o -0.2205000     1.086000      ?             ?      
1 1 1 17 62 11 o -1.214000      1.206000      ?             ?      
1 1 1 17 62 12 o 0.4448000      1.775000      ?             ?      
1 1 1 17 62 13 o 0.1583000      1.457000      ?             ?      
1 1 1 17 62 14 o -0.3844000     1.439000      ?             ?      
1 1 1 17 62 15 o 2.173000       1.422000      ?             ?      
1 1 1 17 62 16 o -0.4656000     2.101000      ?             ?      
1 1 1 17 62 17 o 2.037000       2.114000      ?             ?      
1 1 1 17 62 18 o -1.102000      1.517000      ?             ?      
1 1 1 17 63 0  o -0.5940000     1.644000      ?             ?      
1 1 1 17 63 1  o 0.1108000      1.032000      ?             ?      
1 1 1 17 63 2  o -0.8613000     0.8638000     ?             ?      
1 1 1 17 63 3  o 0.9690000      1.021000      ?             ?      
1 1 1 17 63 4  o 0.6441000      1.000000      ?             ?      
1 1 1 17 63 5  o -0.4224000     1.112000      ?             ?      
1 1 1 17 63 6  o -0.4174000     1.136000      ?             ?      
1 1 1 17 63 7  o -0.5662000     1.231000      ?             ?      
1 1 1 17 63 8  o -1.310000      1.379000      ?             ?      
1 1 1 17 63 9  o -1.299000      1.263000      ?             ?      
1 1 1 17 63 10 o 0.1970000      1.301000      ?             ?      
1 1 1 17 63 11 o 0.8822000      0.9471000     ?             ?      
1 1 1 17 63 12 < 0.000000       -1.000000     ?             ?      
1 1 1 17 63 13 o -1.922000      2.075000      ?             ?      
1 1 1 17 64 0  o -2.459000      1.761000      ?             ?      
1 1 1 17 64 1  o -1.798000      0.9331000     ?             ?      
1 1 1 17 64 2  o 0.7678000E-01  0.9211000     ?             ?      
1 1 1 17 64 3  o -0.3188000     1.059000      ?             ?      
1 1 1 17 64 4  o -0.6686000E-01 1.120000      ?             ?      
1 1 1 17 64 5  o -1.114000      0.9590000     ?             ?      
1 1 1 18 0  0  o 1.701000       0.9218000     151.6100      -0.0   
1 1 1 18 0  1  o 15.35000       0.8334000     839.6900      -90.0  
1 1 1 18 0  2  o 1007.000       32.40000      4002.437      180.0  
1 1 1 18 0  3  o 98.12000       2.468000      877.9002      -90.0  
1 1 1 18 0  4  o 53.88000       1.544000      1352.758      180.0  
1 1 1 18 0  5  o 120.4000       2.959000      1766.344      -90.0  
1 1 1 18 0  6  o 13.19000       0.9224000     789.6678      180.0  
1 1 1 18 0  7  o 53.30000       2.474000      1506.056      90.0   
1 1 1 18 0  8  o 260.5000       8.498000      2551.159      0.0    
1 1 1 18 0  9  o 69.44000       2.053000      987.0583      -90.0  
1 1 1 18 0  10 o 1.562000       0.7538000     19.79728      -0.0   
1 1 1 18 0  11 o 106.3000       2.910000      1132.328      90.0   
1 1 1 18 0  12 o 172.6000       4.972000      1309.252      0.0    
1 1 1 18 0  13 o 4.075000       0.8585000     73.89232      -90.0  
1 1 1 18 0  14 o 109.3000       3.306000      1170.005      0.0    
1 1 1 18 0  15 o 123.4000       3.700000      1305.421      90.0   
1 1 1 18 0  16 o 167.5000       4.907000      1844.999      0.0    
1 1 1 18 0  17 o 316.2000       8.967000      1999.559      -90.0  
1 1 1 18 0  18 o 13.27000       1.305000      449.2536      180.0  
1 1 1 18 0  19 o 192.7000       5.651000      1987.704      -90.0  
1 1 1 18 0  20 o 198.7000       5.832000      1729.302      -0.0   
1 1 1 18 0  21 o 15.08000       1.716000      605.7153      90.0   
1 1 1 18 0  22 o 10.73000       2.489000      511.4772      0.0    
1 1 1 18 0  24 o 263.5000       15.39000      2510.435      0.0    
1 1 1 18 0  25 o 50.15000       2.820000      1023.345      90.0   
1 1 1 18 0  26 o 105.5000       3.641000      1611.111      0.0    
1 1 1 18 0  27 o 767.8000       21.52000      3425.367      90.0   
1 1 1 18 0  28 o 327.2000       9.434000      2170.232      0.0    
1 1 1 18 0  29 o 233.2000       6.856000      1698.298      -90.0  
1 1 1 18 0  30 o 30.55000       1.833000      601.9750      0.0    
1 1 1 18 0  31 o 38.52000       1.966000      863.2927      90.0   
1 1 1 18 0  32 o 32.51000       1.862000      969.5493      0.0    
1 1 1 18 0  33 o 70.67000       2.669000      889.3510      90.0   
1 1 1 18 0  34 o 106.8000       3.549000      1698.787      180.0  
1 1 1 18 0  35 o 19.12000       1.629000      779.7583      -90.0  
1 1 1 18 0  36 o 13.57000       1.554000      385.8254      180.0  
1 1 1 18 0  37 o 7.152000       1.475000      305.0475      -90.0  
1 1 1 18 0  38 o 29.95000       1.822000      750.8629      180.0  
1 1 1 18 0  39 o 16.98000       1.643000      425.5253      90.0   
1 1 1 18 0  40 o -2.144000      1.745000      49.75819      180.0  
1 1 1 18 0  41 o 29.60000       2.200000      691.0583      90.0   
1 1 1 18 0  42 o 11.73000       1.942000      723.6340      0.0    
1 1 1 18 0  43 o 43.14000       2.618000      1095.265      -90.0  
1 1 1 18 0  44 o 8.475000       2.586000      462.8640      0.0    
1 1 1 18 0  45 o 112.1000       7.806000      1614.035      90.0   
1 1 1 18 0  46 o 40.57000       2.623000      781.2870      0.0    
1 1 1 18 0  47 o -2.032000      1.741000      57.04531      90.0   
1 1 1 18 0  48 o 20.91000       2.301000      603.3629      -180.0 
1 1 1 18 0  49 o 16.99000       2.027000      664.4013      -90.0  
1 1 1 18 0  50 o 2.713000       2.109000      235.4662      180.0  
1 1 1 18 0  51 o 41.32000       2.785000      843.5871      -90.0  
1 1 1 18 0  52 o -0.5508000     1.940000      24.84473      -0.0   
1 1 1 18 0  53 o 18.80000       2.188000      659.7176      -90.0  
1 1 1 18 0  54 o 0.7480000E-01  2.038000      296.8562      180.0  
1 1 1 18 0  55 o 3.762000       2.086000      321.5117      90.0   
1 1 1 18 0  56 o 4.340000       2.074000      221.1018      180.0  
1 1 1 18 0  57 o 7.000000       2.089000      414.3698      90.0   
1 1 1 18 0  58 o 16.93000       2.165000      ?             ?      
1 1 1 18 0  59 o 7.364000       2.035000      ?             ?      
1 1 1 18 0  60 o 3.961000       2.321000      ?             ?      
1 1 1 18 0  61 o 28.92000       3.340000      ?             ?      
1 1 1 18 0  62 o 7.314000       2.243000      ?             ?      
1 1 1 18 0  63 o 0.8100000E-01  1.913000      ?             ?      
1 1 1 18 0  64 o 2.531000       1.890000      ?             ?      
1 1 1 18 0  65 o 1.159000       1.871000      ?             ?      
1 1 1 18 0  66 o -0.4849000     1.864000      ?             ?      
1 1 1 18 0  67 o -1.765000      1.838000      ?             ?      
1 1 1 18 0  68 o 7.540000       1.942000      ?             ?      
1 1 1 18 0  69 o -0.4798000     1.873000      ?             ?      
1 1 1 18 0  70 o 1.469000       1.918000      ?             ?      
1 1 1 18 0  71 o -2.286000      1.909000      ?             ?      
1 1 1 18 0  72 o 8.945000       2.035000      ?             ?      
1 1 1 18 0  73 o 0.2080000      1.964000      ?             ?      
1 1 1 18 1  0  o 26.62000       0.9924000     1165.744      -180.0 
1 1 1 18 1  1  o 90.83000       2.015000      1587.734      -75.5  
1 1 1 18 1  2  o 82.92000       1.598000      792.3536      26.0   
1 1 1 18 1  3  o 45.88000       1.310000      766.2880      -131.4 
1 1 1 18 1  4  o 5.929000       0.5273000     91.99493      -63.5  
1 1 1 18 1  5  o 97.80000       2.066000      1965.323      -135.9 
1 1 1 18 1  6  o 251.1000       4.892000      2149.535      -97.8  
1 1 1 18 1  7  o 247.5000       4.583000      2078.937      58.5   
1 1 1 18 1  8  o 693.0000       12.24000      3301.063      82.4   
1 1 1 18 1  9  o 225.5000       4.327000      1675.995      169.2  
1 1 1 18 1  10 o 274.2000       4.940000      1937.897      3.4    
1 1 1 18 1  11 o 108.7000       2.198000      1109.070      74.6   
1 1 1 18 1  12 o 141.8000       2.803000      1432.940      61.2   
1 1 1 18 1  13 o 19.57000       0.7782000     770.5840      -170.8 
1 1 1 18 1  14 o 223.6000       4.514000      2170.651      47.2   
1 1 1 18 1  15 o 148.8000       3.095000      1924.233      -0.1   
1 1 1 18 1  16 o 170.7000       3.795000      2054.725      -86.2  
1 1 1 18 1  17 o 130.8000       2.801000      1141.503      48.6   
1 1 1 18 1  18 o 428.5000       8.529000      2758.804      64.0   
1 1 1 18 1  19 o 81.73000       1.940000      1055.839      -42.3  
1 1 1 18 1  20 o 87.24000       2.224000      1203.263      -14.1  
1 1 1 18 1  21 o 225.1000       6.007000      1963.298      131.5  
1 1 1 18 1  22 o 57.46000       2.576000      1109.388      -31.8  
1 1 1 18 1  23 o 60.05000       3.454000      965.6840      -71.5  
1 1 1 18 1  24 o 159.0000       6.522000      1611.304      -48.6  
1 1 1 18 1  25 o 354.6000       8.343000      2649.059      34.9   
1 1 1 18 1  26 o 288.1000       6.424000      2285.537      -95.3  
1 1 1 18 1  27 o 34.89000       1.884000      1048.853      -13.2  
1 1 1 18 1  28 o 25.21000       1.492000      948.7477      -74.2  
1 1 1 18 1  29 o 101.6000       2.427000      1458.924      127.9  
1 1 1 18 1  30 o 18.51000       1.176000      356.8013      58.9   
1 1 1 18 1  31 o 88.79000       2.198000      1394.478      107.4  
1 1 1 18 1  32 o 31.53000       1.310000      751.4138      -89.7  
1 1 1 18 1  33 o 57.82000       1.677000      911.9658      -76.2  
1 1 1 18 1  34 o 10.14000       1.081000      301.6991      84.6   
1 1 1 18 1  35 o 47.17000       1.509000      941.2394      73.6   
1 1 1 18 1  36 o 71.67000       1.903000      1288.322      48.4   
1 1 1 18 1  37 o 9.346000       1.065000      276.0210      -83.7  
1 1 1 18 1  38 o 18.56000       1.172000      517.1162      48.6   
1 1 1 18 1  39 o 10.96000       1.208000      460.1616      -62.0  
1 1 1 18 1  40 o 6.704000       1.112000      177.1213      -179.0 
1 1 1 18 1  41 o 6.244000       1.195000      248.7419      67.7   
1 1 1 18 1  42 o 3.992000       1.356000      225.5775      59.8   
1 1 1 18 1  43 o 10.85000       1.900000      438.3687      -20.0  
1 1 1 18 1  44 o 60.35000       3.719000      1226.891      -89.5  
1 1 1 18 1  45 o 32.61000       2.462000      893.4911      -19.4  
1 1 1 18 1  46 o 3.047000       1.607000      228.5372      -131.8 
1 1 1 18 1  47 o 14.08000       1.432000      587.9247      0.8    
1 1 1 18 1  48 o 23.51000       1.552000      685.1286      -60.4  
1 1 1 18 1  49 o 6.517000       1.334000      378.4890      6.2    
1 1 1 18 1  50 o 3.519000       1.443000      260.9720      126.2  
1 1 1 18 1  51 o 11.91000       1.528000      578.5983      -178.4 
1 1 1 18 1  52 o 17.27000       1.586000      593.9393      20.1   
1 1 1 18 1  53 o 34.63000       1.833000      877.8028      -23.9  
1 1 1 18 1  54 o 24.99000       1.649000      717.8321      -124.1 
1 1 1 18 1  55 o 8.813000       1.499000      426.5587      147.0  
1 1 1 18 1  56 o 3.422000       1.455000      272.0973      -61.7  
1 1 1 18 1  57 o 6.298000       1.584000      594.5967      9.1    
1 1 1 18 1  58 o 17.49000       1.508000      ?             ?      
1 1 1 18 1  59 o 3.910000       1.471000      ?             ?      
1 1 1 18 1  60 o 6.902000       2.279000      ?             ?      
1 1 1 18 1  61 o 11.15000       2.547000      ?             ?      
1 1 1 18 1  62 o 6.258000       2.240000      ?             ?      
1 1 1 18 1  63 o 11.04000       1.520000      ?             ?      
1 1 1 18 1  64 o 3.979000       1.323000      ?             ?      
1 1 1 18 1  65 o 5.711000       1.350000      ?             ?      
1 1 1 18 1  66 o 1.056000       1.314000      ?             ?      
1 1 1 18 1  67 o 2.481000       1.313000      ?             ?      
1 1 1 18 1  68 o -0.6043000     1.308000      ?             ?      
1 1 1 18 1  69 o 2.937000       1.341000      ?             ?      
1 1 1 18 1  70 o -1.438000      1.327000      ?             ?      
1 1 1 18 1  71 o 2.264000       1.374000      ?             ?      
1 1 1 18 1  72 o 3.475000       1.387000      ?             ?      
1 1 1 18 1  73 o 5.764000       1.538000      ?             ?      
1 1 1 18 2  0  o 20.56000       0.9580000     654.7992      0.0    
1 1 1 18 2  1  o 95.88000       1.791000      1511.301      -162.1 
1 1 1 18 2  2  o 1.173000       0.4905000     312.5240      158.7  
1 1 1 18 2  3  o 50.87000       1.590000      1460.865      -27.7  
1 1 1 18 2  4  o 14.42000       0.6445000     907.3063      -101.5 
1 1 1 18 2  5  o 41.84000       0.9341000     476.1126      121.3  
1 1 1 18 2  6  o 18.17000       0.6457000     746.7233      -145.4 
1 1 1 18 2  7  o 130.1000       3.129000      1803.908      28.4   
1 1 1 18 2  8  o 48.66000       1.229000      1049.228      60.2   
1 1 1 18 2  9  o 27.82000       0.8078000     687.5529      66.2   
1 1 1 18 2  10 o 184.0000       3.734000      1679.294      111.0  
1 1 1 18 2  11 o 282.4000       5.092000      2432.636      52.6   
1 1 1 18 2  12 o 153.6000       2.895000      1501.778      -91.5  
1 1 1 18 2  13 o 89.83000       1.907000      1044.035      152.3  
1 1 1 18 2  14 o 167.5000       3.295000      2090.508      -16.7  
1 1 1 18 2  15 o 18.61000       0.8260000     595.8857      102.5  
1 1 1 18 2  16 o 28.37000       0.9996000     650.2582      -10.0  
1 1 1 18 2  17 o 182.9000       3.779000      2075.290      161.3  
1 1 1 18 2  18 o 5.406000       0.8407000     469.6777      -113.2 
1 1 1 18 2  19 o 57.89000       1.542000      988.6078      -123.6 
1 1 1 18 2  20 o 318.4000       6.936000      2648.132      -3.7   
1 1 1 18 2  21 o 275.0000       6.478000      2353.403      98.2   
1 1 1 18 2  22 o 42.92000       2.359000      851.5894      -171.8 
1 1 1 18 2  23 o 332.5000       13.45000      2795.735      87.1   
1 1 1 18 2  24 o 763.0000       24.58000      4044.174      59.8   
1 1 1 18 2  25 o 105.4000       4.210000      1737.490      13.1   
1 1 1 18 2  26 o 56.62000       1.947000      1271.635      94.3   
1 1 1 18 2  27 o 262.4000       5.438000      2107.771      89.4   
1 1 1 18 2  28 o 198.0000       4.213000      1766.681      -28.3  
1 1 1 18 2  29 o 35.93000       1.424000      891.5145      -167.9 
1 1 1 18 2  30 o 32.00000       1.326000      720.1868      107.2  
1 1 1 18 2  31 o 197.8000       4.520000      1823.291      -0.8   
1 1 1 18 2  32 o 46.02000       1.511000      909.1240      -75.0  
1 1 1 18 2  33 o 9.188000       1.075000      227.9751      94.7   
1 1 1 18 2  34 o 20.08000       1.164000      856.3043      -156.2 
1 1 1 18 2  35 o 19.27000       1.154000      613.5647      176.6  
1 1 1 18 2  36 o 15.52000       1.229000      435.8167      154.5  
1 1 1 18 2  37 o 2.759000       1.127000      246.7627      -104.7 
1 1 1 18 2  38 o 14.79000       1.122000      502.5717      -95.5  
1 1 1 18 2  39 o 25.65000       1.367000      558.7779      168.2  
1 1 1 18 2  40 o 4.265000       1.172000      308.3987      81.6   
1 1 1 18 2  41 o 9.081000       1.128000      317.1385      103.0  
1 1 1 18 2  42 o 23.96000       1.406000      683.5978      23.9   
1 1 1 18 2  43 o 45.56000       2.297000      953.4066      -31.0  
1 1 1 18 2  44 o 37.55000       2.552000      709.2809      40.8   
1 1 1 18 2  45 o 20.19000       2.244000      524.6314      57.9   
1 1 1 18 2  46 o 14.34000       1.890000      598.1503      34.2   
1 1 1 18 2  47 o 9.483000       1.480000      393.9594      169.6  
1 1 1 18 2  48 o 26.15000       1.470000      581.8499      -117.8 
1 1 1 18 2  49 o 3.737000       1.384000      275.5481      125.0  
1 1 1 18 2  50 o 7.573000       1.346000      470.9449      -140.6 
1 1 1 18 2  51 o 5.125000       1.358000      467.7390      -141.1 
1 1 1 18 2  52 o 2.322000       1.497000      166.3754      -113.4 
1 1 1 18 2  53 o 25.04000       1.742000      836.1782      -137.7 
1 1 1 18 2  54 o 9.614000       1.509000      440.6076      107.4  
1 1 1 18 2  55 o 9.707000       1.588000      338.0270      171.9  
1 1 1 18 2  56 o 9.813000       1.492000      456.9412      84.1   
1 1 1 18 2  57 o 5.850000       1.442000      ?             ?      
1 1 1 18 2  58 o 20.04000       1.647000      ?             ?      
1 1 1 18 2  59 o 8.696000       1.495000      ?             ?      
1 1 1 18 2  60 o 1.062000       2.148000      ?             ?      
1 1 1 18 2  61 o 11.43000       1.905000      ?             ?      
1 1 1 18 2  62 o 2.068000       1.695000      ?             ?      
1 1 1 18 2  63 o 0.2053000      1.420000      ?             ?      
1 1 1 18 2  64 o 4.632000       1.336000      ?             ?      
1 1 1 18 2  65 o 3.650000       1.323000      ?             ?      
1 1 1 18 2  66 o 2.556000       1.310000      ?             ?      
1 1 1 18 2  67 o 7.771000       1.372000      ?             ?      
1 1 1 18 2  68 o -0.9602000E-01 1.314000      ?             ?      
1 1 1 18 2  69 o 3.989000       1.341000      ?             ?      
1 1 1 18 2  70 o 4.022000       1.370000      ?             ?      
1 1 1 18 2  71 o 1.003000       1.380000      ?             ?      
1 1 1 18 2  73 o -1.664000      1.484000      ?             ?      
1 1 1 18 3  0  o 9.585000       1.115000      307.0150      -0.0   
1 1 1 18 3  1  o 65.77000       1.339000      1535.340      -6.7   
1 1 1 18 3  2  o 299.6000       6.072000      2745.892      168.9  
1 1 1 18 3  3  o 89.81000       1.707000      1559.057      112.3  
1 1 1 18 3  4  o 167.7000       3.953000      2079.904      88.2   
1 1 1 18 3  5  o 423.3000       7.962000      3029.559      -88.2  
1 1 1 18 3  6  o 69.34000       1.381000      1064.638      -152.8 
1 1 1 18 3  7  o 285.5000       4.917000      2966.236      65.5   
1 1 1 18 3  8  o 274.4000       5.054000      2104.948      127.5  
1 1 1 18 3  9  o 96.69000       2.221000      1343.156      -146.0 
1 1 1 18 3  10 o 626.1000       11.09000      3358.598      23.3   
1 1 1 18 3  11 o 158.3000       2.967000      1656.862      31.5   
1 1 1 18 3  12 o 236.2000       4.528000      2147.513      72.6   
1 1 1 18 3  13 o 63.64000       1.558000      1583.968      -19.4  
1 1 1 18 3  14 o 0.1534000      0.6366000     371.6205      -84.5  
1 1 1 18 3  15 o 151.6000       3.169000      2182.292      41.3   
1 1 1 18 3  16 o 238.1000       4.827000      2616.493      -75.3  
1 1 1 18 3  17 o 85.72000       2.180000      1698.310      68.9   
1 1 1 18 3  18 o 13.07000       0.8923000     464.9701      -113.5 
1 1 1 18 3  19 o 93.18000       2.162000      1369.292      27.2   
1 1 1 18 3  20 o 19.97000       1.222000      855.6231      114.5  
1 1 1 18 3  21 o 215.9000       5.773000      2042.702      122.3  
1 1 1 18 3  22 o 134.3000       4.841000      1679.513      -170.1 
1 1 1 18 3  23 o 9.953000       1.481000      454.4603      7.0    
1 1 1 18 3  24 o 4.939000       1.554000      436.8400      129.0  
1 1 1 18 3  25 o 3.417000       1.580000      220.6929      174.8  
1 1 1 18 3  26 o 238.2000       5.421000      2288.653      -90.3  
1 1 1 18 3  27 o 15.04000       1.392000      483.7375      -36.3  
1 1 1 18 3  28 o 19.63000       1.372000      629.4554      -66.4  
1 1 1 18 3  29 o 123.7000       2.834000      1577.053      141.1  
1 1 1 18 3  30 o 62.66000       1.770000      883.1959      82.9   
1 1 1 18 3  32 o 11.59000       1.126000      316.8719      -53.4  
1 1 1 18 3  33 o 40.86000       1.430000      756.2969      20.3   
1 1 1 18 3  34 o 28.97000       1.376000      1004.010      51.2   
1 1 1 18 3  35 o 33.58000       1.449000      904.1123      -21.7  
1 1 1 18 3  36 o 23.14000       1.218000      726.2280      -2.3   
1 1 1 18 3  37 o 25.29000       1.343000      554.1862      129.0  
1 1 1 18 3  38 o 14.62000       1.124000      628.9813      -9.3   
1 1 1 18 3  39 o 5.667000       1.076000      469.4160      49.3   
1 1 1 18 3  40 o 8.055000       1.182000      375.6328      142.8  
1 1 1 18 3  41 o 3.903000       1.296000      174.6124      -88.9  
1 1 1 18 3  42 o 30.12000       1.603000      814.9251      7.1    
1 1 1 18 3  43 o 10.48000       1.755000      421.1518      84.7   
1 1 1 18 3  44 o 5.371000       1.354000      290.1859      130.9  
1 1 1 18 3  45 o 2.109000       1.592000      277.8833      128.9  
1 1 1 18 3  46 o 40.09000       2.090000      947.9337      -171.0 
1 1 1 18 3  47 o 1.554000       1.314000      168.3379      171.1  
1 1 1 18 3  48 o 5.886000       1.362000      287.8407      -125.7 
1 1 1 18 3  49 o 3.157000       1.372000      307.7425      -61.8  
1 1 1 18 3  50 o 0.5487000      1.291000      34.27172      154.3  
1 1 1 18 3  51 o 7.905000       1.451000      408.5047      9.1    
1 1 1 18 3  52 o 6.661000       1.506000      398.5586      -26.9  
1 1 1 18 3  53 o 52.68000       1.970000      1064.550      -117.5 
1 1 1 18 3  54 o 7.549000       1.484000      455.0619      -107.1 
1 1 1 18 3  55 o 15.12000       1.643000      601.4518      64.6   
1 1 1 18 3  56 o 7.939000       1.469000      409.6510      -36.9  
1 1 1 18 3  57 o 2.186000       1.502000      ?             ?      
1 1 1 18 3  58 o 13.48000       1.581000      ?             ?      
1 1 1 18 3  59 o 4.728000       1.757000      ?             ?      
1 1 1 18 3  60 o 2.483000       1.754000      ?             ?      
1 1 1 18 3  61 o 16.38000       1.739000      ?             ?      
1 1 1 18 3  62 o 2.639000       1.673000      ?             ?      
1 1 1 18 3  63 o 4.842000       1.560000      ?             ?      
1 1 1 18 3  64 o 3.042000       1.417000      ?             ?      
1 1 1 18 3  65 o 0.2429000      1.310000      ?             ?      
1 1 1 18 3  66 o 3.410000       1.332000      ?             ?      
1 1 1 18 3  67 o 12.16000       1.413000      ?             ?      
1 1 1 18 3  68 o 4.270000       1.356000      ?             ?      
1 1 1 18 3  69 o -0.6460000E-01 1.327000      ?             ?      
1 1 1 18 3  70 o -0.6288000     1.334000      ?             ?      
1 1 1 18 3  71 o 2.656000       1.386000      ?             ?      
1 1 1 18 3  72 o 2.404000       1.403000      ?             ?      
1 1 1 18 3  73 o 0.9798000      1.592000      ?             ?      
1 1 1 18 4  0  o 0.5364000      0.6707000     104.5745      -180.0 
1 1 1 18 4  1  o 32.61000       0.8217000     1035.965      -84.7  
1 1 1 18 4  2  o 8.679000       0.8260000     289.6004      178.0  
1 1 1 18 4  3  o 107.9000       2.216000      1547.632      -108.1 
1 1 1 18 4  4  o 10.22000       0.5716000     497.8988      -62.1  
1 1 1 18 4  5  o 63.81000       1.653000      1345.295      -166.7 
1 1 1 18 4  6  o 44.11000       1.602000      1317.906      0.3    
1 1 1 18 4  7  o 76.41000       1.510000      1534.672      -22.2  
1 1 1 18 4  8  o 31.63000       0.8971000     763.6170      104.4  
1 1 1 18 4  9  o 142.0000       2.673000      2093.278      107.6  
1 1 1 18 4  10 o 116.0000       3.038000      1986.085      -149.5 
1 1 1 18 4  11 o 136.1000       2.832000      1538.626      106.6  
1 1 1 18 4  12 o 24.13000       0.9145000     1333.956      -165.0 
1 1 1 18 4  13 o 14.16000       0.7581000     501.1338      58.5   
1 1 1 18 4  14 o 42.55000       1.127000      1168.635      24.8   
1 1 1 18 4  15 o 9.490000       0.7582000     322.0228      150.1  
1 1 1 18 4  16 o 288.5000       5.813000      2121.566      152.4  
1 1 1 18 4  17 o 91.87000       2.092000      1329.767      -32.2  
1 1 1 18 4  18 o 58.27000       1.531000      1208.186      -104.8 
1 1 1 18 4  19 o 82.81000       2.281000      1282.706      -48.2  
1 1 1 18 4  20 o 4.129000       1.051000      609.3532      164.1  
1 1 1 18 4  21 o 191.1000       5.634000      1911.869      176.8  
1 1 1 18 4  22 o 166.9000       5.880000      1710.334      167.8  
1 1 1 18 4  23 o 66.07000       2.151000      1598.870      -1.4   
1 1 1 18 4  24 o 196.6000       6.841000      2006.799      84.8   
1 1 1 18 4  25 o 79.46000       2.590000      1100.905      1.2    
1 1 1 18 4  26 o 17.84000       1.523000      715.8016      123.2  
1 1 1 18 4  27 o 6.588000       1.262000      258.8342      -141.4 
1 1 1 18 4  28 o 20.91000       1.228000      396.7483      159.5  
1 1 1 18 4  29 o 5.090000       1.077000      460.5076      173.8  
1 1 1 18 4  30 o 11.74000       1.116000      643.9352      -117.6 
1 1 1 18 4  31 o 29.61000       1.459000      786.8970      -133.5 
1 1 1 18 4  32 o 58.09000       1.850000      1321.011      -162.8 
1 1 1 18 4  33 o 39.85000       1.422000      950.4178      92.9   
1 1 1 18 4  34 o 32.13000       1.447000      899.6594      139.0  
1 1 1 18 4  35 o 12.13000       1.209000      574.2597      112.2  
1 1 1 18 4  36 o 4.071000       1.038000      203.9968      152.2  
1 1 1 18 4  37 o 18.61000       1.147000      685.8469      -29.1  
1 1 1 18 4  38 o 20.97000       1.268000      605.1694      -151.5 
1 1 1 18 4  39 o 32.82000       1.449000      844.4074      146.3  
1 1 1 18 4  40 o 0.5045000      1.052000      86.41621      165.7  
1 1 1 18 4  41 o 3.263000       1.240000      222.4878      -63.2  
1 1 1 18 4  42 o 8.661000       1.418000      323.6464      -9.4   
1 1 1 18 4  43 o 14.97000       1.485000      581.5994      -76.6  
1 1 1 18 4  44 o 33.90000       1.687000      940.4711      -80.4  
1 1 1 18 4  45 o 5.936000       1.310000      406.7168      -37.2  
1 1 1 18 4  46 o 2.039000       1.519000      228.2107      177.0  
1 1 1 18 4  47 o 1.510000       1.399000      208.3706      -64.5  
1 1 1 18 4  48 o 12.85000       1.407000      449.1699      -109.0 
1 1 1 18 4  49 o 0.1772000      1.247000      78.13853      -167.3 
1 1 1 18 4  50 o 2.820000       1.308000      361.6053      -158.2 
1 1 1 18 4  51 o 2.555000       1.426000      267.4588      -73.3  
1 1 1 18 4  52 o 20.66000       1.530000      756.3201      -52.7  
1 1 1 18 4  53 o 6.763000       1.546000      330.8289      -171.1 
1 1 1 18 4  54 o 6.544000       1.575000      374.4026      21.6   
1 1 1 18 4  55 o 7.043000       1.483000      458.7842      145.0  
1 1 1 18 4  56 o 0.9599000      1.424000      198.8083      14.6   
1 1 1 18 4  57 o 0.1399000E-01  1.503000      ?             ?      
1 1 1 18 4  58 o 3.649000       1.578000      ?             ?      
1 1 1 18 4  59 o 2.141000       1.713000      ?             ?      
1 1 1 18 4  60 o 8.579000       1.784000      ?             ?      
1 1 1 18 4  61 o 1.432000       1.518000      ?             ?      
1 1 1 18 4  62 o 4.004000       1.615000      ?             ?      
1 1 1 18 4  63 o -1.293000      1.620000      ?             ?      
1 1 1 18 4  64 o 3.260000       1.419000      ?             ?      
1 1 1 18 4  65 o 2.973000       1.308000      ?             ?      
1 1 1 18 4  66 o 0.5630000      1.303000      ?             ?      
1 1 1 18 4  67 o 1.637000       1.321000      ?             ?      
1 1 1 18 4  68 o 0.2518000      1.322000      ?             ?      
1 1 1 18 4  69 o 0.6617000E-01  1.319000      ?             ?      
1 1 1 18 4  70 o 1.614000       1.349000      ?             ?      
1 1 1 18 4  71 o 5.349000       1.410000      ?             ?      
1 1 1 18 4  72 o 1.631000       1.495000      ?             ?      
1 1 1 18 4  73 o 1.651000       2.339000      ?             ?      
1 1 1 18 5  0  o 27.48000       1.209000      869.5546      -0.0   
1 1 1 18 5  1  o 68.84000       1.369000      1581.856      159.3  
1 1 1 18 5  2  o 19.51000       0.6966000     877.1951      140.2  
1 1 1 18 5  3  o 13.02000       0.6100000     471.2637      8.9    
1 1 1 18 5  4  o 14.13000       0.7511000     873.0790      130.9  
1 1 1 18 5  5  o 8.052000       0.7859000     464.2585      -35.0  
1 1 1 18 5  6  o 42.00000       1.000000      1116.556      146.3  
1 1 1 18 5  7  o 11.99000       0.5900000     579.5740      70.6   
1 1 1 18 5  8  o 16.65000       0.7088000     496.6924      88.1   
1 1 1 18 5  9  o 64.99000       1.487000      1287.032      -40.9  
1 1 1 18 5  10 o 22.47000       0.8521000     507.1927      4.2    
1 1 1 18 5  11 o 120.4000       2.744000      1951.871      -19.9  
1 1 1 18 5  12 o 311.9000       6.233000      2467.734      125.2  
1 1 1 18 5  13 o 62.82000       1.574000      1528.537      -66.5  
1 1 1 18 5  14 o 39.06000       1.092000      754.1094      46.3   
1 1 1 18 5  15 o 193.0000       3.791000      1990.814      0.1    
1 1 1 18 5  16 o 30.26000       1.056000      842.6057      35.0   
1 1 1 18 5  17 o 6.376000       0.8107000     469.1714      154.1  
1 1 1 18 5  18 o 103.7000       2.356000      1641.566      102.8  
1 1 1 18 5  19 o 412.7000       9.518000      2655.590      -8.0   
1 1 1 18 5  20 o 59.66000       2.667000      1569.828      141.8  
1 1 1 18 5  21 o 78.36000       2.714000      1434.570      -169.2 
1 1 1 18 5  22 o 5.190000       1.192000      88.47830      30.6   
1 1 1 18 5  23 o 4.747000       1.177000      646.2524      -12.8  
1 1 1 18 5  24 o 16.55000       1.387000      735.8253      137.1  
1 1 1 18 5  25 o 86.18000       2.892000      1527.298      -113.6 
1 1 1 18 5  26 o 9.026000       1.402000      608.5460      -92.3  
1 1 1 18 5  27 o 46.14000       1.818000      651.4034      -124.0 
1 1 1 18 5  28 o 33.08000       1.495000      811.3185      -79.4  
1 1 1 18 5  29 o 9.533000       1.222000      286.1299      -67.2  
1 1 1 18 5  30 o 23.63000       1.332000      616.9246      71.5   
1 1 1 18 5  31 o 18.62000       1.266000      624.4685      128.7  
1 1 1 18 5  32 o 23.93000       1.310000      737.8695      -155.1 
1 1 1 18 5  33 o 6.862000       1.052000      347.2664      -39.7  
1 1 1 18 5  34 o -0.1546000     1.021000      175.1617      162.3  
1 1 1 18 5  35 o 1.363000       1.023000      97.38082      -105.8 
1 1 1 18 5  36 o 10.00000       1.134000      435.2806      -114.8 
1 1 1 18 5  37 o 2.131000       1.014000      162.8434      -128.5 
1 1 1 18 5  38 o 9.453000       1.167000      423.9408      -17.1  
1 1 1 18 5  39 o 6.242000       1.155000      448.5157      17.0   
1 1 1 18 5  40 f 2.307000       1.067000      334.1151      -165.3 
1 1 1 18 5  41 o 15.29000       1.326000      619.2465      -12.4  
1 1 1 18 5  42 o 7.150000       1.314000      464.0209      4.9    
1 1 1 18 5  43 o 11.84000       1.333000      442.7629      68.5   
1 1 1 18 5  44 o 0.5694000E-01  1.131000      196.2154      6.8    
1 1 1 18 5  45 o 19.52000       1.420000      697.5347      97.2   
1 1 1 18 5  46 o 20.94000       1.803000      715.4506      -171.9 
1 1 1 18 5  47 f 5.338000       1.574000      213.0392      -31.6  
1 1 1 18 5  48 o 11.54000       1.406000      406.8692      -152.9 
1 1 1 18 5  49 o 2.771000       1.268000      201.2167      -57.8  
1 1 1 18 5  50 o 3.316000       1.292000      360.3683      68.8   
1 1 1 18 5  51 o 12.37000       1.390000      503.2917      31.1   
1 1 1 18 5  52 o 2.559000       1.375000      200.9690      145.4  
1 1 1 18 5  53 o 10.64000       1.582000      536.2235      -113.0 
1 1 1 18 5  54 o 10.42000       1.581000      500.9493      -86.7  
1 1 1 18 5  55 o 13.88000       1.539000      738.3466      49.0   
1 1 1 18 5  56 o 3.648000       1.523000      171.9791      -70.6  
1 1 1 18 5  57 o 4.589000       1.502000      ?             ?      
1 1 1 18 5  58 o 4.569000       1.585000      ?             ?      
1 1 1 18 5  59 o 0.4936000      1.706000      ?             ?      
1 1 1 18 5  60 o 2.302000       1.555000      ?             ?      
1 1 1 18 5  61 o 11.27000       1.476000      ?             ?      
1 1 1 18 5  62 o 2.438000       1.578000      ?             ?      
1 1 1 18 5  63 o 0.4105000      1.649000      ?             ?      
1 1 1 18 5  64 o 0.1689000E-01  1.528000      ?             ?      
1 1 1 18 5  65 o 3.366000       1.616000      ?             ?      
1 1 1 18 5  66 o 0.9627000E-01  1.300000      ?             ?      
1 1 1 18 5  67 o -0.2359000     1.312000      ?             ?      
1 1 1 18 5  68 o 3.333000       1.344000      ?             ?      
1 1 1 18 5  69 o -1.426000      1.330000      ?             ?      
1 1 1 18 5  70 o 3.223000       1.375000      ?             ?      
1 1 1 18 5  71 o 2.237000       1.385000      ?             ?      
1 1 1 18 5  72 o 0.2793000      1.486000      ?             ?      
1 1 1 18 5  73 < 0.000000       -1.000000     ?             ?      
1 1 1 18 6  0  o -0.8795000     0.6902000     112.0077      -180.0 
1 1 1 18 6  1  o 38.56000       1.086000      1032.529      -123.1 
1 1 1 18 6  2  o -0.3435000     0.5130000     312.3820      -92.7  
1 1 1 18 6  3  o 34.33000       0.9930000     1034.826      -117.2 
1 1 1 18 6  4  o 5.662000       0.5569000     487.1093      -140.4 
1 1 1 18 6  5  o 40.17000       1.015000      1213.129      159.3  
1 1 1 18 6  6  o 36.01000       1.139000      819.9621      130.6  
1 1 1 18 6  7  o 8.670000       0.5796000     242.9213      -56.5  
1 1 1 18 6  8  o 61.49000       1.488000      1306.958      23.8   
1 1 1 18 6  9  o 53.10000       1.364000      958.8128      156.8  
1 1 1 18 6  10 o 19.33000       0.7508000     675.3641      8.8    
1 1 1 18 6  11 o 105.5000       2.186000      1689.052      139.3  
1 1 1 18 6  12 o 0.1505000E-01  0.6289000     116.8568      -172.9 
1 1 1 18 6  13 o 35.56000       1.031000      1141.987      -144.2 
1 1 1 18 6  14 o 24.17000       0.9241000     597.1999      57.7   
1 1 1 18 6  15 o 168.0000       3.340000      1801.937      152.9  
1 1 1 18 6  16 o 54.79000       1.551000      803.8560      161.0  
1 1 1 18 6  17 o 25.49000       1.024000      757.6649      -70.3  
1 1 1 18 6  18 o 18.11000       1.003000      812.8464      142.9  
1 1 1 18 6  19 o 219.0000       5.225000      2149.424      -148.3 
1 1 1 18 6  20 o 52.09000       2.064000      1269.296      164.8  
1 1 1 18 6  21 o 26.61000       1.394000      1021.310      -80.1  
1 1 1 18 6  22 o 13.55000       1.207000      537.8707      61.2   
1 1 1 18 6  23 o 11.88000       1.221000      775.5584      -157.5 
1 1 1 18 6  24 o 22.02000       1.386000      872.6780      149.6  
1 1 1 18 6  25 o 7.901000       1.333000      385.1826      -20.9  
1 1 1 18 6  26 o 36.01000       1.837000      1087.817      -72.5  
1 1 1 18 6  27 o 7.379000       1.333000      12.85484      162.6  
1 1 1 18 6  28 o 18.26000       1.295000      479.0448      24.1   
1 1 1 18 6  29 f 3.548000       1.145000      364.0047      -67.7  
1 1 1 18 6  30 o 11.46000       1.187000      470.7260      145.4  
1 1 1 18 6  31 o 27.54000       1.262000      855.2472      -136.4 
1 1 1 18 6  32 o 26.79000       1.251000      970.8803      46.0   
1 1 1 18 6  33 o -0.1204000E-01 1.089000      252.1544      -89.1  
1 1 1 18 6  34 o 18.68000       1.239000      532.0346      110.2  
1 1 1 18 6  35 o 10.99000       1.086000      454.8562      126.8  
1 1 1 18 6  36 o 3.137000       1.120000      494.0443      -1.3   
1 1 1 18 6  37 o 7.947000       1.133000      514.5219      37.4   
1 1 1 18 6  38 o 7.954000       1.053000      543.6400      168.1  
1 1 1 18 6  39 o 3.971000       1.045000      225.1322      77.9   
1 1 1 18 6  40 o 1.003000       1.102000      197.2530      -2.2   
1 1 1 18 6  41 o 10.60000       1.366000      347.1909      -26.3  
1 1 1 18 6  42 o 2.496000       1.332000      300.0861      -122.3 
1 1 1 18 6  43 o 19.76000       1.354000      651.6652      -120.2 
1 1 1 18 6  44 o 0.3348000      1.119000      127.5769      -42.5  
1 1 1 18 6  45 o 25.25000       1.501000      826.6725      53.8   
1 1 1 18 6  46 o 14.91000       1.528000      586.0670      -167.4 
1 1 1 18 6  47 o 12.53000       1.637000      607.8181      -64.9  
1 1 1 18 6  48 o -0.8190000     1.439000      55.14575      33.4   
1 1 1 18 6  49 o 4.755000       1.388000      326.5039      -75.6  
1 1 1 18 6  50 o 24.06000       1.495000      613.9211      -172.0 
1 1 1 18 6  51 o 3.718000       1.325000      228.0273      -45.2  
1 1 1 18 6  52 o 0.2752000      1.351000      160.1786      -18.6  
1 1 1 18 6  53 o 8.890000       1.441000      411.3078      150.5  
1 1 1 18 6  54 o 5.032000       1.431000      297.7013      1.3    
1 1 1 18 6  55 o 2.713000       1.535000      221.2796      15.3   
1 1 1 18 6  56 o 5.112000       1.520000      325.5052      65.2   
1 1 1 18 6  57 o 2.547000       1.474000      ?             ?      
1 1 1 18 6  58 o 3.928000       1.722000      ?             ?      
1 1 1 18 6  59 o 10.89000       1.794000      ?             ?      
1 1 1 18 6  60 o 1.479000       1.369000      ?             ?      
1 1 1 18 6  61 o -1.783000      1.336000      ?             ?      
1 1 1 18 6  62 o 0.6798000      1.624000      ?             ?      
1 1 1 18 6  63 o 1.292000       1.480000      ?             ?      
1 1 1 18 6  64 o 5.125000       2.167000      ?             ?      
1 1 1 18 6  65 o 0.4206000      1.509000      ?             ?      
1 1 1 18 6  66 o 0.6001000      1.310000      ?             ?      
1 1 1 18 6  67 o -0.5306000     1.305000      ?             ?      
1 1 1 18 6  68 o -0.2646000     1.320000      ?             ?      
1 1 1 18 6  69 o -1.888000      1.323000      ?             ?      
1 1 1 18 6  70 o 1.690000       1.365000      ?             ?      
1 1 1 18 6  71 o -2.445000      1.462000      ?             ?      
1 1 1 18 6  72 o 1.645000       1.723000      ?             ?      
1 1 1 18 7  0  o 8.242000       0.8032000     546.4143      -0.0   
1 1 1 18 7  1  o 39.11000       1.370000      1170.678      -101.6 
1 1 1 18 7  2  o 131.2000       3.443000      1707.867      -45.2  
1 1 1 18 7  3  o 20.20000       0.9272000     1142.378      -168.8 
1 1 1 18 7  4  o 2.315000       0.5343000     449.7934      135.1  
1 1 1 18 7  5  o 6.605000       0.6584000     551.0223      -143.5 
1 1 1 18 7  6  o 20.97000       0.9362000     1097.955      -144.3 
1 1 1 18 7  7  o 3.517000       0.5443000     394.8391      -57.0  
1 1 1 18 7  8  o 28.06000       0.9184000     932.9782      101.4  
1 1 1 18 7  9  o 15.05000       0.7227000     649.0839      111.8  
1 1 1 18 7  10 f 62.03000       1.793000      1200.158      -86.4  
1 1 1 18 7  11 o 24.65000       1.116000      872.1810      88.8   
1 1 1 18 7  12 o 22.94000       0.8898000     766.8082      -144.9 
1 1 1 18 7  13 o 9.403000       0.7014000     757.3793      -15.5  
1 1 1 18 7  14 o 5.870000       0.7130000     286.0473      -14.6  
1 1 1 18 7  15 o 49.64000       1.346000      1060.083      -26.7  
1 1 1 18 7  16 o 32.45000       1.081000      872.5578      -155.0 
1 1 1 18 7  17 o 30.80000       1.105000      752.5292      -118.9 
1 1 1 18 7  18 o 18.76000       1.113000      751.0298      -2.8   
1 1 1 18 7  19 o 27.29000       1.307000      1112.295      -39.3  
1 1 1 18 7  20 o 9.263000       1.292000      635.1348      114.2  
1 1 1 18 7  21 o 66.85000       2.294000      1317.028      -57.7  
1 1 1 18 7  22 o 3.488000       1.067000      93.01074      141.6  
1 1 1 18 7  23 o 1.188000       1.161000      133.9444      107.6  
1 1 1 18 7  24 o 19.71000       1.677000      802.4825      -98.8  
1 1 1 18 7  25 o 75.20000       2.717000      1145.684      -96.8  
1 1 1 18 7  26 o 12.09000       1.394000      610.3145      157.6  
1 1 1 18 7  27 o 8.177000       1.344000      433.4989      73.1   
1 1 1 18 7  28 f 7.197000       1.244000      557.9693      -98.8  
1 1 1 18 7  29 o 0.2088000      1.119000      23.09863      -58.2  
1 1 1 18 7  30 o 15.94000       1.132000      598.4762      -177.0 
1 1 1 18 7  31 o 23.59000       1.293000      815.4234      -166.4 
1 1 1 18 7  32 o 6.995000       1.045000      309.5227      137.2  
1 1 1 18 7  33 o 1.678000       1.101000      422.0471      179.5  
1 1 1 18 7  34 o 2.714000       1.114000      216.0067      4.7    
1 1 1 18 7  35 o 11.16000       1.095000      541.2308      -157.0 
1 1 1 18 7  36 o 6.821000       1.041000      397.5020      -113.5 
1 1 1 18 7  37 o 11.11000       1.070000      555.0401      114.7  
1 1 1 18 7  38 o 2.015000       1.022000      105.7266      115.5  
1 1 1 18 7  39 o 2.786000       1.033000      249.5551      19.0   
1 1 1 18 7  40 o 1.587000       1.155000      29.42303      -74.5  
1 1 1 18 7  41 o 6.736000       1.346000      477.2932      7.8    
1 1 1 18 7  42 o 6.216000       1.267000      469.8904      -10.2  
1 1 1 18 7  43 o 1.299000       1.113000      134.6688      -168.1 
1 1 1 18 7  44 o 0.5003000      1.124000      214.2373      163.9  
1 1 1 18 7  45 o 8.648000       1.226000      462.4172      116.7  
1 1 1 18 7  46 o 1.124000       1.341000      214.1404      -175.6 
1 1 1 18 7  47 o 5.000000       1.597000      247.7723      -107.8 
1 1 1 18 7  48 o 5.946000       1.620000      221.0993      -24.3  
1 1 1 18 7  49 o 5.222000       1.381000      221.4558      -54.3  
1 1 1 18 7  50 o -1.092000      1.291000      205.8944      39.2   
1 1 1 18 7  51 o 0.6636000      1.315000      158.5327      145.4  
1 1 1 18 7  52 o 2.634000       1.363000      222.1273      -161.8 
1 1 1 18 7  53 o -1.863000      1.369000      62.55395      -24.6  
1 1 1 18 7  54 o 1.431000       1.385000      93.61825      115.4  
1 1 1 18 7  55 o 4.920000       1.405000      342.9246      117.8  
1 1 1 18 7  56 o 3.537000       1.394000      238.6249      -104.3 
1 1 1 18 7  57 o 2.400000       1.542000      ?             ?      
1 1 1 18 7  58 o -0.9746000     1.668000      ?             ?      
1 1 1 18 7  59 o 9.338000       1.540000      ?             ?      
1 1 1 18 7  60 o -1.793000      1.427000      ?             ?      
1 1 1 18 7  61 o 1.514000       1.446000      ?             ?      
1 1 1 18 7  62 o -0.7170000     1.438000      ?             ?      
1 1 1 18 7  63 o 2.470000       1.463000      ?             ?      
1 1 1 18 7  64 o -1.319000      1.678000      ?             ?      
1 1 1 18 7  65 o 2.955000       1.715000      ?             ?      
1 1 1 18 7  66 o -0.4492000     1.417000      ?             ?      
1 1 1 18 7  67 o 3.603000       1.439000      ?             ?      
1 1 1 18 7  68 o -2.205000      1.318000      ?             ?      
1 1 1 18 7  69 o -0.2739000     1.341000      ?             ?      
1 1 1 18 7  70 o 1.278000       1.360000      ?             ?      
1 1 1 18 7  71 o -0.9714000     1.461000      ?             ?      
1 1 1 18 7  72 o -1.243000      1.634000      ?             ?      
1 1 1 18 8  0  o 8.586000       0.9086000     422.9812      -0.0   
1 1 1 18 8  1  o -0.3606000     0.5202000     172.0169      -106.4 
1 1 1 18 8  2  o 41.37000       1.488000      1183.065      -27.6  
1 1 1 18 8  3  o 3.620000       0.6572000     480.3249      -100.7 
1 1 1 18 8  4  o 0.7230000      0.5487000     317.0952      -103.0 
1 1 1 18 8  5  o 1.750000       0.5645000     280.2888      161.5  
1 1 1 18 8  6  o 1.317000       0.5804000     311.3006      -73.9  
1 1 1 18 8  7  o -0.9552000     0.5899000     190.8782      1.9    
1 1 1 18 8  8  o 19.84000       0.8262000     663.0014      82.2   
1 1 1 18 8  9  o 11.96000       0.6645000     645.7366      -132.8 
1 1 1 18 8  10 o -0.7314000     0.6048000     259.4609      52.7   
1 1 1 18 8  11 o 6.165000       0.6703000     528.6657      140.1  
1 1 1 18 8  12 o 2.634000       0.6576000     205.2016      -116.7 
1 1 1 18 8  13 o 29.74000       1.050000      654.4609      56.4   
1 1 1 18 8  14 o -0.2109000E-01 0.6893000     377.9839      40.5   
1 1 1 18 8  15 o 1.228000       0.7261000     271.5804      -138.6 
1 1 1 18 8  16 o 3.165000       0.7658000     421.1738      -73.8  
1 1 1 18 8  17 o 21.84000       1.083000      844.0726      -74.6  
1 1 1 18 8  18 o -1.342000      0.9467000     308.8692      143.9  
1 1 1 18 8  19 o 27.73000       2.248000      1001.510      178.0  
1 1 1 18 8  20 o 14.84000       1.217000      559.1397      65.4   
1 1 1 18 8  21 o 25.44000       1.638000      896.5082      -16.1  
1 1 1 18 8  22 o 7.119000       1.384000      369.4079      113.7  
1 1 1 18 8  23 o 14.26000       1.162000      644.7585      -166.5 
1 1 1 18 8  24 o 20.20000       1.495000      722.4073      3.4    
1 1 1 18 8  25 o 8.902000       1.488000      478.6239      8.6    
1 1 1 18 8  26 o 24.42000       1.438000      758.7441      -17.7  
1 1 1 18 8  27 o 19.16000       1.446000      793.6876      -90.9  
1 1 1 18 8  28 o 3.901000       1.391000      106.9539      -87.3  
1 1 1 18 8  29 o 2.419000       1.205000      226.8533      -35.1  
1 1 1 18 8  30 o 1.443000       1.027000      176.9051      166.2  
1 1 1 18 8  31 o 4.486000       1.122000      414.1670      -142.9 
1 1 1 18 8  32 o 3.563000       1.104000      140.2835      2.7    
1 1 1 18 8  33 o 0.3844000      0.9900000     109.3561      85.7   
1 1 1 18 8  34 o 5.765000       1.032000      336.8078      75.0   
1 1 1 18 8  35 o 18.27000       1.155000      621.6039      96.1   
1 1 1 18 8  36 o 5.132000       1.024000      191.9672      -44.3  
1 1 1 18 8  37 o 5.527000       1.034000      228.7215      78.2   
1 1 1 18 8  38 o 10.54000       1.082000      469.6263      -144.2 
1 1 1 18 8  39 o 3.449000       1.085000      245.5813      95.0   
1 1 1 18 8  40 o -0.5040000     1.219000      135.0477      61.4   
1 1 1 18 8  41 o -0.7259000     1.289000      180.6354      84.0   
1 1 1 18 8  42 o 0.9710000      1.177000      189.4375      168.9  
1 1 1 18 8  43 o 2.453000       1.125000      260.8785      36.7   
1 1 1 18 8  44 o -0.5439000     1.126000      72.97967      69.1   
1 1 1 18 8  45 o 4.173000       1.307000      318.8766      89.6   
1 1 1 18 8  46 o 11.64000       1.418000      467.7832      -168.6 
1 1 1 18 8  47 o 0.8741000E-01  1.434000      66.87288      121.7  
1 1 1 18 8  48 o -2.218000      1.604000      68.12826      7.0    
1 1 1 18 8  49 o -0.5872000E-02 1.479000      30.62402      56.6   
1 1 1 18 8  50 o 4.229000       1.402000      252.1750      -140.0 
1 1 1 18 8  51 o 1.499000       1.333000      190.4496      147.0  
1 1 1 18 8  52 o 3.498000       1.358000      291.4341      -160.3 
1 1 1 18 8  53 o 1.948000       1.375000      247.7635      -10.4  
1 1 1 18 8  54 o -0.1071000     1.381000      117.5424      -45.5  
1 1 1 18 8  55 o -1.426000      1.380000      58.99225      177.0  
1 1 1 18 8  56 o -0.3541000     1.447000      176.1588      -67.9  
1 1 1 18 8  57 o 1.065000       1.631000      ?             ?      
1 1 1 18 8  58 o 0.4730000      1.518000      ?             ?      
1 1 1 18 8  59 o 0.1153000      1.352000      ?             ?      
1 1 1 18 8  60 o -0.2262000     1.410000      ?             ?      
1 1 1 18 8  61 o 2.164000       1.409000      ?             ?      
1 1 1 18 8  62 o -2.946000      1.390000      ?             ?      
1 1 1 18 8  63 o 1.632000       1.608000      ?             ?      
1 1 1 18 8  64 o -0.3665000     1.612000      ?             ?      
1 1 1 18 8  65 o 0.5364000      1.437000      ?             ?      
1 1 1 18 8  66 o 0.8044000      1.598000      ?             ?      
1 1 1 18 8  67 o 2.845000       1.428000      ?             ?      
1 1 1 18 8  68 o -0.8859000     1.419000      ?             ?      
1 1 1 18 8  69 o 1.140000       1.427000      ?             ?      
1 1 1 18 8  70 o -0.4517000     1.376000      ?             ?      
1 1 1 18 8  71 o 0.2239000      1.544000      ?             ?      
1 1 1 18 8  72 o 1.430000       1.735000      ?             ?      
1 1 1 18 9  0  o -0.1131000     0.7154000     243.9748      0.0    
1 1 1 18 9  1  o 0.5208000      0.5116000     174.8660      -80.5  
1 1 1 18 9  2  o 11.73000       0.7216000     654.9233      24.2   
1 1 1 18 9  3  o 4.243000       0.5862000     305.1003      78.7   
1 1 1 18 9  4  o 8.803000       0.6556000     148.6502      -40.1  
1 1 1 18 9  5  o 8.169000       0.6394000     466.0917      -137.3 
1 1 1 18 9  6  o 9.143000       0.6395000     502.6149      -74.2  
1 1 1 18 9  7  o 6.591000       0.6435000     319.1236      48.6   
1 1 1 18 9  8  o 2.815000       0.6287000     233.6249      -178.4 
1 1 1 18 9  9  o 8.621000       0.6737000     561.7379      -157.6 
1 1 1 18 9  10 o 9.433000       0.6866000     527.1406      -38.5  
1 1 1 18 9  11 o 14.57000       0.8196000     692.7700      145.7  
1 1 1 18 9  12 o 2.336000       0.6778000     213.3907      -159.4 
1 1 1 18 9  13 o 5.713000       0.7090000     331.1284      76.8   
1 1 1 18 9  14 o 2.342000       0.7070000     291.1153      -133.9 
1 1 1 18 9  15 o 9.964000       0.8001000     498.9615      -3.0   
1 1 1 18 9  16 o 3.218000       0.7842000     135.3472      -27.7  
1 1 1 18 9  17 o 1.780000       0.8921000     194.9313      1.1    
1 1 1 18 9  18 o 2.270000       1.238000      348.6857      -35.2  
1 1 1 18 9  19 o 1.645000       1.621000      376.5667      -130.6 
1 1 1 18 9  20 o 4.896000       1.109000      208.8421      -53.5  
1 1 1 18 9  21 o 3.155000       1.054000      118.8397      40.4   
1 1 1 18 9  22 o 29.25000       1.460000      948.0865      137.5  
1 1 1 18 9  23 o 0.7510000      1.097000      111.8303      114.0  
1 1 1 18 9  24 o 4.580000       1.190000      286.6718      171.2  
1 1 1 18 9  25 o 4.906000       1.211000      193.7788      44.5   
1 1 1 18 9  26 o 14.14000       1.276000      442.7167      79.3   
1 1 1 18 9  27 o 6.104000       1.323000      321.3583      85.5   
1 1 1 18 9  28 o -1.430000      1.208000      287.3063      -20.4  
1 1 1 18 9  29 o 1.486000       1.416000      191.9189      -149.9 
1 1 1 18 9  30 o 4.943000       1.126000      372.3872      -141.8 
1 1 1 18 9  31 o -0.4824000     0.9779000     68.19614      -78.6  
1 1 1 18 9  32 o 2.180000       0.9804000     205.9978      143.8  
1 1 1 18 9  33 o -0.1730000     0.9838000     86.28144      -119.8 
1 1 1 18 9  34 o 4.739000       1.023000      234.9814      -172.9 
1 1 1 18 9  35 o 1.803000       1.006000      249.8853      -166.5 
1 1 1 18 9  36 o 3.188000       1.006000      158.0644      135.6  
1 1 1 18 9  37 o 2.081000       1.025000      38.95224      95.0   
1 1 1 18 9  38 o -0.5978000     1.022000      153.5296      20.1   
1 1 1 18 9  39 o -0.2913000E-01 1.121000      92.49966      -66.5  
1 1 1 18 9  40 o 1.859000       1.308000      68.19064      -169.0 
1 1 1 18 9  41 o -0.8635000     1.188000      77.45185      -12.7  
1 1 1 18 9  42 o 0.7105000      1.085000      165.5406      82.8   
1 1 1 18 9  43 o 9.223000       1.190000      466.2089      -160.0 
1 1 1 18 9  44 o 0.7406000      1.120000      69.12656      95.1   
1 1 1 18 9  45 o 5.827000       1.208000      221.2824      -141.2 
1 1 1 18 9  46 o -0.3275000     1.320000      236.4389      -135.1 
1 1 1 18 9  47 o 0.4357000      1.349000      202.9536      -119.3 
1 1 1 18 9  48 o 4.724000       1.646000      228.8804      -69.4  
1 1 1 18 9  49 o 1.813000       1.408000      200.8960      17.0   
1 1 1 18 9  50 o 3.586000       1.446000      248.4515      179.5  
1 1 1 18 9  51 o 6.374000       1.397000      239.8777      20.9   
1 1 1 18 9  52 o 1.751000       1.365000      153.3488      73.0   
1 1 1 18 9  53 o -0.4884000     1.361000      111.6474      -87.7  
1 1 1 18 9  54 o 3.378000       1.413000      249.0454      153.8  
1 1 1 18 9  55 o 0.1145000      1.388000      42.46718      -76.8  
1 1 1 18 9  56 o 1.189000       1.520000      108.3189      -119.7 
1 1 1 18 9  57 f 0.6576000      1.612000      ?             ?      
1 1 1 18 9  58 o 0.9821000      1.398000      ?             ?      
1 1 1 18 9  59 o -0.3180000E-02 1.299000      ?             ?      
1 1 1 18 9  60 o 0.8994000      1.320000      ?             ?      
1 1 1 18 9  61 o -2.072000      1.292000      ?             ?      
1 1 1 18 9  62 o 3.844000       1.413000      ?             ?      
1 1 1 18 9  63 o 0.9192000      1.507000      ?             ?      
1 1 1 18 9  64 o 3.213000       1.590000      ?             ?      
1 1 1 18 9  65 o 1.514000       1.682000      ?             ?      
1 1 1 18 9  66 o -1.181000      1.421000      ?             ?      
1 1 1 18 9  67 o 0.5909000E-01  1.318000      ?             ?      
1 1 1 18 9  68 o -0.5505000     1.407000      ?             ?      
1 1 1 18 9  69 o 0.5242000      1.431000      ?             ?      
1 1 1 18 9  70 o -0.9537000     1.443000      ?             ?      
1 1 1 18 9  71 o 1.335000       1.698000      ?             ?      
1 1 1 18 9  72 o 1.331000       1.563000      ?             ?      
1 1 1 18 10 0  o -0.4527000     0.7169000     334.0380      -180.0 
1 1 1 18 10 1  o -1.388000      0.5206000     89.25863      78.5   
1 1 1 18 10 3  o -0.6056000     0.6690000     68.84143      -90.9  
1 1 1 18 10 4  o -0.3398000     0.5773000     172.0326      -37.7  
1 1 1 18 10 5  o 0.3039000E-01  0.6663000     66.76536      -5.9   
1 1 1 18 10 6  o 0.2572000      0.6125000     188.2273      -31.4  
1 1 1 18 10 7  o 0.5615000      0.6289000     182.3320      127.7  
1 1 1 18 10 8  o 2.317000       0.6986000     178.0531      -163.9 
1 1 1 18 10 9  o 2.686000       0.6723000     283.6049      -51.1  
1 1 1 18 10 10 o 1.084000       0.6877000     140.3742      -109.3 
1 1 1 18 10 11 o -0.2817000     0.6829000     122.7791      80.0   
1 1 1 18 10 12 o 0.5092000      0.6749000     141.6975      -20.4  
1 1 1 18 10 13 o 3.995000       0.7346000     257.8971      7.8    
1 1 1 18 10 14 o 1.851000       0.7250000     89.09145      -74.9  
1 1 1 18 10 15 o 1.254000       0.7642000     188.8021      31.4   
1 1 1 18 10 16 o -0.2525000     1.140000      200.5087      -138.3 
1 1 1 18 10 17 o 3.187000       1.220000      185.0509      -50.7  
1 1 1 18 10 18 o 0.1798000      1.126000      282.8353      -157.4 
1 1 1 18 10 19 o 1.438000       1.305000      7.501335      9.8    
1 1 1 18 10 20 o -0.7728000     1.168000      128.3820      141.9  
1 1 1 18 10 21 o -0.3613000     1.020000      151.8291      -119.6 
1 1 1 18 10 22 o 4.287000       1.071000      251.3445      -164.6 
1 1 1 18 10 23 o -0.7465000E-01 1.134000      283.6076      -144.1 
1 1 1 18 10 24 o 1.208000       1.144000      166.2432      9.4    
1 1 1 18 10 25 o 0.2929000      1.072000      161.5512      -84.0  
1 1 1 18 10 26 o 4.271000       1.423000      48.68097      -82.5  
1 1 1 18 10 27 o 3.817000       1.185000      253.4406      -126.8 
1 1 1 18 10 28 o 3.590000       1.307000      241.7680      -157.1 
1 1 1 18 10 29 o 0.8158000      1.208000      77.09676      115.3  
1 1 1 18 10 30 o 0.1433000      1.090000      164.2932      28.6   
1 1 1 18 10 31 o 0.9809000      1.073000      102.4435      -119.4 
1 1 1 18 10 32 o 0.8186000      0.9664000     56.01755      166.7  
1 1 1 18 10 33 o 2.299000       0.9977000     314.1469      18.6   
1 1 1 18 10 34 o 4.693000       1.020000      51.60150      138.0  
1 1 1 18 10 35 o 1.253000       0.9875000     78.36510      -100.9 
1 1 1 18 10 36 o 0.2155000      1.010000      148.2378      -66.7  
1 1 1 18 10 37 o -0.8310000     1.008000      57.50754      -10.6  
1 1 1 18 10 38 o 0.9539000      1.058000      76.32411      -159.6 
1 1 1 18 10 39 o -0.1645000     1.108000      120.8114      137.2  
1 1 1 18 10 40 o 1.628000       1.250000      75.96211      -70.9  
1 1 1 18 10 41 o 0.3198000      1.142000      139.0630      145.2  
1 1 1 18 10 42 o 1.914000       1.080000      90.73370      34.1   
1 1 1 18 10 43 o -0.4043000     1.108000      103.1143      11.4   
1 1 1 18 10 44 o 1.377000       1.132000      29.05000      40.7   
1 1 1 18 10 45 o -1.411000      1.169000      86.67827      63.3   
1 1 1 18 10 46 o -0.6021000E-01 1.191000      141.7669      -83.4  
1 1 1 18 10 47 o 0.6477000      1.319000      134.9245      -98.2  
1 1 1 18 10 48 o -1.260000      1.482000      110.4154      -92.0  
1 1 1 18 10 49 o -0.8002000     1.654000      138.9953      -132.4 
1 1 1 18 10 50 o 5.369000       1.581000      259.5037      163.4  
1 1 1 18 10 51 o 1.146000       1.474000      75.06385      173.3  
1 1 1 18 10 52 o 1.256000       1.368000      124.7028      -32.3  
1 1 1 18 10 53 o 2.390000       1.368000      124.0889      -94.3  
1 1 1 18 10 54 o 1.880000       1.389000      151.3783      -160.5 
1 1 1 18 10 55 o 1.340000       1.482000      102.1926      -146.0 
1 1 1 18 10 56 o 2.825000       1.655000      ?             ?      
1 1 1 18 10 57 o 3.066000       1.498000      ?             ?      
1 1 1 18 10 58 o 1.774000       1.301000      ?             ?      
1 1 1 18 10 59 o -0.2491000     1.295000      ?             ?      
1 1 1 18 10 60 o 0.4718000      1.309000      ?             ?      
1 1 1 18 10 61 o 1.899000       1.294000      ?             ?      
1 1 1 18 10 62 o -1.090000      1.287000      ?             ?      
1 1 1 18 10 63 o 0.1298000      1.279000      ?             ?      
1 1 1 18 10 64 o 0.7560000      1.434000      ?             ?      
1 1 1 18 10 65 o 3.456000       2.048000      ?             ?      
1 1 1 18 10 66 o 0.4507000      1.502000      ?             ?      
1 1 1 18 10 67 o 1.692000       1.541000      ?             ?      
1 1 1 18 10 68 o -1.138000      1.368000      ?             ?      
1 1 1 18 10 69 f -0.4852000     1.323000      ?             ?      
1 1 1 18 10 70 o -4.967000      1.666000      ?             ?      
1 1 1 18 10 71 o 1.762000       2.205000      ?             ?      
1 1 1 18 10 72 o -0.1982000     1.569000      ?             ?      
1 1 1 18 11 0  o 0.9677000      0.7491000     41.08786      -0.0   
1 1 1 18 11 1  o -1.018000      0.5311000     97.77511      -47.9  
1 1 1 18 11 2  o -1.991000      0.9339000     237.1410      -171.8 
1 1 1 18 11 3  o 0.6768000      0.6407000     111.0035      130.1  
1 1 1 18 11 4  o 0.4864000      0.6025000     283.8074      -89.7  
1 1 1 18 11 5  o -0.8511000E-01 0.6151000     90.07548      -16.9  
1 1 1 18 11 6  o 2.177000       0.6480000     220.2021      8.0    
1 1 1 18 11 7  o -0.9898000     0.6654000     32.78429      -172.9 
1 1 1 18 11 8  o -1.918000      0.7307000     147.5141      37.3   
1 1 1 18 11 9  o 0.3713000      0.7791000     208.7934      68.1   
1 1 1 18 11 10 f -0.9645000     0.6886000     87.04036      132.9  
1 1 1 18 11 11 o 0.5914000E-01  0.7078000     198.7672      -129.7 
1 1 1 18 11 12 o -0.6600000     0.7148000     109.6076      138.5  
1 1 1 18 11 13 o -0.7933000E-01 0.8951000     110.7064      75.3   
1 1 1 18 11 14 o -0.8226000     0.9258000     137.0293      143.7  
1 1 1 18 11 15 o 0.3315000      0.7779000     50.57397      -30.6  
1 1 1 18 11 16 o -0.4164000E-01 0.9696000     118.3385      32.9   
1 1 1 18 11 17 o 2.202000       1.444000      111.0186      45.2   
1 1 1 18 11 18 o -0.1531000     1.074000      81.91692      2.0    
1 1 1 18 11 19 o 3.081000       1.042000      485.8266      -120.6 
1 1 1 18 11 20 o 0.2632000      1.062000      138.1770      105.1  
1 1 1 18 11 21 o 2.207000       1.091000      83.03387      -123.9 
1 1 1 18 11 22 o -0.2355000     1.146000      237.5831      -78.2  
1 1 1 18 11 23 o 1.227000       1.109000      210.5289      -176.1 
1 1 1 18 11 24 o -0.1617000     1.065000      147.5946      77.9   
1 1 1 18 11 25 o 1.371000       1.070000      85.39101      164.0  
1 1 1 18 11 26 o 2.686000       1.139000      180.5322      96.5   
1 1 1 18 11 27 o 0.8007000      1.135000      138.5013      36.4   
1 1 1 18 11 28 o 0.2393000      1.278000      86.43140      -119.7 
1 1 1 18 11 29 o 0.5632000      1.084000      109.8322      6.8    
1 1 1 18 11 30 o 0.2778000      1.200000      139.2616      126.6  
1 1 1 18 11 31 o -1.030000      1.074000      127.5606      51.4   
1 1 1 18 11 32 o 0.7420000      0.9650000     29.80614      34.8   
1 1 1 18 11 33 o 0.2936000      0.9835000     96.38875      -151.1 
1 1 1 18 11 34 o 1.216000       0.9885000     180.4605      -95.7  
1 1 1 18 11 35 o -0.2293000     0.9840000     82.75529      51.5   
1 1 1 18 11 36 o 0.3472000      1.076000      14.54266      -168.3 
1 1 1 18 11 37 o 1.269000       1.020000      125.4597      -45.5  
1 1 1 18 11 38 o 0.6701000      1.096000      172.5071      -157.3 
1 1 1 18 11 39 o 1.373000       1.267000      126.6527      159.9  
1 1 1 18 11 40 o 1.172000       1.170000      109.2412      -61.9  
1 1 1 18 11 41 o -0.2113000     1.059000      81.23536      -12.5  
1 1 1 18 11 42 o 0.2541000      1.083000      50.38208      -106.6 
1 1 1 18 11 43 o 0.6625000      1.101000      40.53625      -103.4 
1 1 1 18 11 44 o -0.3025000     1.130000      106.4810      -99.0  
1 1 1 18 11 45 o -0.3453000     1.166000      108.9708      22.5   
1 1 1 18 11 46 o -0.9623000     1.184000      125.9569      39.5   
1 1 1 18 11 47 o 2.368000       1.344000      75.78359      37.5   
1 1 1 18 11 48 o 2.101000       1.510000      88.13261      53.9   
1 1 1 18 11 49 o 0.3329000      1.650000      98.45290      68.6   
1 1 1 18 11 50 o 1.301000       1.485000      137.8440      -47.6  
1 1 1 18 11 51 o 0.7483000      1.490000      196.7522      93.1   
1 1 1 18 11 52 o -1.038000      1.359000      150.4120      154.8  
1 1 1 18 11 53 o 2.189000       1.366000      89.11564      -123.9 
1 1 1 18 11 54 o 0.5000000      1.379000      31.93429      147.4  
1 1 1 18 11 55 o 2.551000       1.565000      134.8814      99.3   
1 1 1 18 11 56 o 1.967000       1.640000      ?             ?      
1 1 1 18 11 57 o -0.7223000     1.459000      ?             ?      
1 1 1 18 11 58 o -1.376000      1.274000      ?             ?      
1 1 1 18 11 59 o -1.945000      1.280000      ?             ?      
1 1 1 18 11 60 o 1.194000       1.291000      ?             ?      
1 1 1 18 11 61 o 1.488000       1.283000      ?             ?      
1 1 1 18 11 62 o 0.6035000      1.266000      ?             ?      
1 1 1 18 11 63 o 0.5858000      1.270000      ?             ?      
1 1 1 18 11 64 o 0.6963000      1.425000      ?             ?      
1 1 1 18 11 65 o 3.121000       1.442000      ?             ?      
1 1 1 18 11 66 o -1.198000      1.585000      ?             ?      
1 1 1 18 11 67 o 1.262000       1.494000      ?             ?      
1 1 1 18 11 68 o 0.1554000      1.300000      ?             ?      
1 1 1 18 11 69 o 2.242000       1.502000      ?             ?      
1 1 1 18 11 70 o -0.7269000     1.603000      ?             ?      
1 1 1 18 11 71 o -3.432000      1.505000      ?             ?      
1 1 1 18 11 72 o 1.339000       1.581000      ?             ?      
1 1 1 18 12 0  o -0.3178000     0.7485000     3.097692      180.0  
1 1 1 18 12 1  o -0.5850000     0.5478000     181.3007      -122.2 
1 1 1 18 12 2  o 2.497000       0.6077000     185.8138      -16.9  
1 1 1 18 12 3  o -0.1097000     0.5929000     416.0814      45.8   
1 1 1 18 12 4  o -0.3668000     0.6305000     118.7713      126.3  
1 1 1 18 12 5  o 0.5997000      0.8068000     347.9982      -139.1 
1 1 1 18 12 6  o -1.643000      0.7016000     341.3902      -119.0 
1 1 1 18 12 7  o -1.200000      0.6749000     302.3450      164.0  
1 1 1 18 12 8  o 0.1637000      0.7180000     216.6771      157.1  
1 1 1 18 12 9  o 0.2006000      0.7770000     155.3535      156.7  
1 1 1 18 12 10 o 0.8046000      0.7500000     88.87938      146.0  
1 1 1 18 12 11 o 1.405000       0.8755000     24.50512      -67.8  
1 1 1 18 12 12 o 0.4278000      0.9087000     374.3713      103.6  
1 1 1 18 12 13 o -1.193000      0.7893000     283.3893      120.1  
1 1 1 18 12 14 o -0.6700000     0.9089000     54.39397      95.1   
1 1 1 18 12 15 o 2.173000       0.9593000     184.3559      -91.6  
1 1 1 18 12 16 o 0.7176000      0.9381000     200.4739      -166.3 
1 1 1 18 12 17 o 1.744000       1.062000      219.0719      -116.4 
1 1 1 18 12 18 o 6.124000       1.222000      494.8351      3.7    
1 1 1 18 12 19 o 2.658000       1.048000      222.5862      -81.5  
1 1 1 18 12 20 o 2.565000       1.027000      431.9367      63.9   
1 1 1 18 12 21 o 0.7646000      1.097000      129.8031      -2.5   
1 1 1 18 12 22 o 3.773000       1.138000      265.1634      134.6  
1 1 1 18 12 23 o 3.396000       1.011000      247.4805      169.1  
1 1 1 18 12 24 o 0.4396000      0.9788000     370.5784      -15.8  
1 1 1 18 12 25 o 6.607000       1.084000      415.8591      -112.0 
1 1 1 18 12 26 o 3.826000       1.087000      330.8681      177.1  
1 1 1 18 12 27 o 3.368000       1.159000      248.7195      43.0   
1 1 1 18 12 28 o 2.201000       1.075000      152.6755      -15.8  
1 1 1 18 12 29 o 1.735000       1.093000      301.6587      -49.6  
1 1 1 18 12 30 o 0.3841000      1.191000      57.72684      47.6   
1 1 1 18 12 31 o 3.927000       1.110000      236.8974      49.2   
1 1 1 18 12 32 o -0.9120000     1.082000      26.70156      -129.3 
1 1 1 18 12 33 o 4.215000       0.9928000     158.2940      -25.4  
1 1 1 18 12 34 o 0.6081000      0.9692000     139.7264      -37.2  
1 1 1 18 12 35 o 5.581000       1.061000      317.0054      87.3   
1 1 1 18 12 36 o 3.625000       1.017000      226.2816      171.5  
1 1 1 18 12 37 o -1.003000      1.025000      137.1532      117.0  
1 1 1 18 12 38 o 2.163000       1.119000      125.2156      66.5   
1 1 1 18 12 39 o 3.004000       1.259000      38.56181      -6.4   
1 1 1 18 12 40 o -0.4637000     1.137000      16.67617      -33.6  
1 1 1 18 12 41 o 0.2927000      1.070000      148.3532      8.7    
1 1 1 18 12 42 o 1.803000       1.089000      115.8537      41.6   
1 1 1 18 12 43 o 2.258000       1.108000      190.0025      97.5   
1 1 1 18 12 44 o -0.8569000     1.114000      110.7359      -152.9 
1 1 1 18 12 45 o -0.7260000     1.164000      59.88779      71.5   
1 1 1 18 12 46 o 1.173000       1.203000      174.6826      170.7  
1 1 1 18 12 47 o 0.5330000      1.218000      182.3613      162.3  
1 1 1 18 12 48 o 1.290000       1.387000      121.9417      -143.8 
1 1 1 18 12 49 o 3.598000       1.424000      283.7154      155.9  
1 1 1 18 12 50 o 3.782000       1.770000      203.0828      -147.3 
1 1 1 18 12 51 o -1.268000      1.577000      123.6333      28.4   
1 1 1 18 12 52 o 0.9514000E-01  1.444000      222.4526      -76.4  
1 1 1 18 12 53 o 1.463000       1.381000      38.39021      -96.9  
1 1 1 18 12 54 o 1.488000       1.487000      85.90642      26.6   
1 1 1 18 12 55 o 4.099000       1.580000      255.2345      -73.9  
1 1 1 18 12 56 o -0.5631000     1.514000      ?             ?      
1 1 1 18 12 57 o 1.476000       1.315000      ?             ?      
1 1 1 18 12 58 o -0.8531000     1.268000      ?             ?      
1 1 1 18 12 59 o 1.856000       1.289000      ?             ?      
1 1 1 18 12 60 o 0.4138000      1.275000      ?             ?      
1 1 1 18 12 61 o 0.7766000      1.265000      ?             ?      
1 1 1 18 12 62 o 0.9641000      1.272000      ?             ?      
1 1 1 18 12 63 o 0.1745000      1.260000      ?             ?      
1 1 1 18 12 64 o 0.8742000      1.412000      ?             ?      
1 1 1 18 12 65 o 0.9910000      1.531000      ?             ?      
1 1 1 18 12 66 o 1.296000       1.610000      ?             ?      
1 1 1 18 12 67 o 0.4726000E-01  1.494000      ?             ?      
1 1 1 18 12 68 o 0.7608000      1.394000      ?             ?      
1 1 1 18 12 69 o 1.060000       1.653000      ?             ?      
1 1 1 18 12 70 o -0.1678000     2.380000      ?             ?      
1 1 1 18 12 71 o 1.143000       1.523000      ?             ?      
1 1 1 18 13 0  o -0.1567000     0.7961000     56.66423      -0.0   
1 1 1 18 13 1  o 0.3394000      0.5803000     318.5683      28.0   
1 1 1 18 13 2  o 4.813000       0.6005000     467.8940      172.1  
1 1 1 18 13 3  o 7.731000       0.6873000     360.7225      -10.5  
1 1 1 18 13 4  o 11.20000       0.7381000     622.8410      -64.7  
1 1 1 18 13 5  o -0.2610000     0.6655000     114.3528      11.5   
1 1 1 18 13 6  o -2.174000      0.7106000     61.35594      24.6   
1 1 1 18 13 7  o 1.149000       0.7573000     421.9591      105.6  
1 1 1 18 13 8  o 2.190000       0.8200000     273.4986      -153.9 
1 1 1 18 13 9  o 3.192000       0.8020000     269.2975      166.6  
1 1 1 18 13 10 o 1.904000       0.8337000     488.9893      -121.5 
1 1 1 18 13 11 o 2.560000       0.8806000     158.9875      78.1   
1 1 1 18 13 12 o 5.554000       0.9245000     442.6767      -121.4 
1 1 1 18 13 13 o 3.021000       0.8318000     481.3890      -177.7 
1 1 1 18 13 14 o 0.8868000      0.8375000     232.9437      -95.1  
1 1 1 18 13 15 o 0.1353000      0.9777000     226.7539      -106.1 
1 1 1 18 13 16 o 6.170000       1.168000      427.0083      -20.7  
1 1 1 18 13 17 o 7.016000       1.078000      494.6997      61.2   
1 1 1 18 13 18 o -0.9200000     1.092000      49.06450      14.4   
1 1 1 18 13 19 o 10.54000       1.138000      637.6542      -151.6 
1 1 1 18 13 20 o 4.059000       1.017000      430.4086      -35.8  
1 1 1 18 13 21 o 3.491000       1.033000      208.6535      -146.4 
1 1 1 18 13 22 o 0.6473000      1.014000      99.37632      52.1   
1 1 1 18 13 23 o 14.86000       1.081000      472.7915      143.9  
1 1 1 18 13 24 o 4.693000       0.9846000     449.3960      -3.8   
1 1 1 18 13 25 o 1.558000       0.9737000     145.3272      -31.9  
1 1 1 18 13 26 o 3.226000       1.073000      54.55606      -84.1  
1 1 1 18 13 27 o 7.401000       1.173000      199.1805      -77.4  
1 1 1 18 13 28 o 4.943000       1.057000      152.6750      158.8  
1 1 1 18 13 29 o 5.968000       1.300000      457.8948      42.3   
1 1 1 18 13 30 o 0.7130000      1.080000      167.8258      83.9   
1 1 1 18 13 31 o 3.738000       1.203000      277.8603      118.1  
1 1 1 18 13 32 o 6.151000       1.138000      342.0176      -175.6 
1 1 1 18 13 33 o 1.145000       0.9865000     60.95372      137.4  
1 1 1 18 13 34 o 2.124000       0.9769000     102.7272      150.9  
1 1 1 18 13 35 o 0.5843000      0.9826000     165.3710      -52.7  
1 1 1 18 13 36 o 2.507000       1.011000      250.1030      170.4  
1 1 1 18 13 37 o -0.5637000     1.108000      174.0368      -10.6  
1 1 1 18 13 38 o 17.54000       1.500000      468.4385      -173.9 
1 1 1 18 13 39 o 0.9351000      1.187000      135.5622      -7.3   
1 1 1 18 13 40 o -0.9428000E-01 1.068000      132.3144      36.6   
1 1 1 18 13 41 o 6.507000       1.130000      273.1043      150.4  
1 1 1 18 13 42 o 2.518000       1.103000      173.0128      -117.7 
1 1 1 18 13 43 o 0.5722000      1.093000      159.6177      -32.2  
1 1 1 18 13 44 o 2.632000       1.138000      298.8282      -163.9 
1 1 1 18 13 45 o 0.8126000      1.162000      91.99333      66.8   
1 1 1 18 13 46 o 4.364000       1.229000      356.8310      -144.5 
1 1 1 18 13 47 o -0.2633000     1.210000      114.5604      69.9   
1 1 1 18 13 48 o 1.244000       1.372000      95.78336      -171.0 
1 1 1 18 13 49 o 0.6496000      1.529000      117.4823      18.0   
1 1 1 18 13 50 o 11.91000       1.868000      483.9151      105.2  
1 1 1 18 13 51 o 2.360000       1.519000      166.1303      96.7   
1 1 1 18 13 52 o 0.8512000      1.471000      78.55396      167.7  
1 1 1 18 13 53 o 5.777000       1.441000      431.1040      71.2   
1 1 1 18 13 54 o 0.7878000      1.565000      57.73009      4.3    
1 1 1 18 13 55 o 1.685000       1.823000      212.4757      72.2   
1 1 1 18 13 56 o 2.832000       1.483000      ?             ?      
1 1 1 18 13 57 o 5.393000       1.335000      ?             ?      
1 1 1 18 13 58 o 1.645000       1.292000      ?             ?      
1 1 1 18 13 59 o 1.355000       1.269000      ?             ?      
1 1 1 18 13 60 o -2.258000      1.254000      ?             ?      
1 1 1 18 13 61 o -0.9287000     1.254000      ?             ?      
1 1 1 18 13 62 o -0.7462000E-01 1.266000      ?             ?      
1 1 1 18 13 63 o 1.808000       1.285000      ?             ?      
1 1 1 18 13 64 o -0.5700000     1.266000      ?             ?      
1 1 1 18 13 65 o 1.323000       1.439000      ?             ?      
1 1 1 18 13 66 o 0.7286000      1.401000      ?             ?      
1 1 1 18 13 67 o -2.416000      1.392000      ?             ?      
1 1 1 18 13 68 o 0.7540000      1.506000      ?             ?      
1 1 1 18 13 69 o -0.4785000     1.502000      ?             ?      
1 1 1 18 13 70 o -1.476000      2.081000      ?             ?      
1 1 1 18 13 71 o -1.017000      1.432000      ?             ?      
1 1 1 18 14 1  o 4.823000       0.6299000     471.9445      -112.9 
1 1 1 18 14 2  o 8.892000       0.6559000     281.6443      117.6  
1 1 1 18 14 3  o 0.2648000      0.6123000     69.93635      160.8  
1 1 1 18 14 4  o 0.9304000      0.7233000     382.3782      154.2  
1 1 1 18 14 5  o 2.136000       0.7530000     340.4380      -63.3  
1 1 1 18 14 6  o 9.447000       0.8200000     603.7474      135.6  
1 1 1 18 14 7  o 8.546000       1.036000      542.1398      158.8  
1 1 1 18 14 8  o 14.01000       1.191000      653.8506      43.2   
1 1 1 18 14 9  o 10.05000       1.000000      511.3890      -147.4 
1 1 1 18 14 10 o 7.093000       0.9594000     637.8917      -165.2 
1 1 1 18 14 11 o 9.623000       0.9787000     351.6887      -87.3  
1 1 1 18 14 12 o 10.79000       0.9234000     672.7426      -142.1 
1 1 1 18 14 13 o 8.130000       0.9464000     439.9463      -66.0  
1 1 1 18 14 14 o 2.319000       0.9414000     73.22324      -71.5  
1 1 1 18 14 15 o 24.65000       1.319000      725.9559      83.8   
1 1 1 18 14 16 o 14.15000       1.324000      451.1275      92.9   
1 1 1 18 14 17 o 3.047000       1.082000      436.5445      86.3   
1 1 1 18 14 18 o 13.36000       1.077000      572.7523      -8.5   
1 1 1 18 14 19 o 2.825000       0.9867000     419.4973      48.1   
1 1 1 18 14 20 o 3.642000       1.009000      417.4989      -17.4  
1 1 1 18 14 21 o 12.56000       1.056000      452.1742      118.5  
1 1 1 18 14 22 o 18.94000       1.124000      613.8237      -79.1  
1 1 1 18 14 23 o 22.13000       1.342000      861.5453      6.1    
1 1 1 18 14 24 o 1.905000       0.9778000     175.8236      -22.3  
1 1 1 18 14 25 o 15.73000       1.067000      489.7771      -160.1 
1 1 1 18 14 26 o 13.21000       1.138000      456.4637      51.7   
1 1 1 18 14 27 o 11.10000       1.134000      347.3456      11.4   
1 1 1 18 14 28 o 4.453000       1.126000      163.4819      94.2   
1 1 1 18 14 29 o 0.3026000      1.110000      153.6748      120.4  
1 1 1 18 14 30 o -0.9382000     1.064000      98.43208      64.6   
1 1 1 18 14 31 o 4.268000       1.125000      275.0347      26.6   
1 1 1 18 14 32 o 3.961000       1.131000      258.8699      77.9   
1 1 1 18 14 33 o 7.150000       1.140000      403.8542      -16.6  
1 1 1 18 14 34 o 1.811000       0.9768000     36.29951      37.3   
1 1 1 18 14 35 o 12.20000       1.052000      525.9883      105.8  
1 1 1 18 14 36 o 3.530000       1.024000      297.9542      144.0  
1 1 1 18 14 37 o 4.960000       1.142000      272.0457      -121.4 
1 1 1 18 14 38 o 0.1409000      1.171000      135.0133      4.5    
1 1 1 18 14 39 o 7.675000       1.230000      401.9332      -113.2 
1 1 1 18 14 40 o 0.8810000      1.072000      112.2296      -143.4 
1 1 1 18 14 41 o 5.526000       1.124000      284.7386      146.1  
1 1 1 18 14 42 o 5.704000       1.132000      379.6533      -131.0 
1 1 1 18 14 43 o -0.1030000     1.119000      128.5919      72.3   
1 1 1 18 14 44 o 8.665000       1.198000      361.2034      1.5    
1 1 1 18 14 45 o 2.143000       1.172000      149.9521      -104.9 
1 1 1 18 14 46 o 7.677000       1.254000      366.6318      161.0  
1 1 1 18 14 47 o 0.4902000      1.218000      54.91007      -174.0 
1 1 1 18 14 48 o 15.79000       1.529000      604.5694      -167.7 
1 1 1 18 14 49 o 1.560000       1.457000      206.6727      155.8  
1 1 1 18 14 50 o -1.162000      1.453000      16.41261      -94.2  
1 1 1 18 14 51 o 2.153000       1.521000      229.1749      179.2  
1 1 1 18 14 52 o 5.348000       1.669000      279.7175      172.5  
1 1 1 18 14 53 o 5.443000       1.555000      370.3906      67.9   
1 1 1 18 14 54 o 3.058000       1.564000      166.0129      145.9  
1 1 1 18 14 55 o 2.838000       1.549000      ?             ?      
1 1 1 18 14 56 o -2.441000      1.315000      ?             ?      
1 1 1 18 14 57 o 2.738000       1.295000      ?             ?      
1 1 1 18 14 58 o 8.334000       1.342000      ?             ?      
1 1 1 18 14 59 o 2.775000       1.271000      ?             ?      
1 1 1 18 14 60 o -1.629000      1.246000      ?             ?      
1 1 1 18 14 61 o 1.360000       1.245000      ?             ?      
1 1 1 18 14 62 o 0.8692000      1.255000      ?             ?      
1 1 1 18 14 63 o 2.176000       1.277000      ?             ?      
1 1 1 18 14 64 o -0.5554000     1.256000      ?             ?      
1 1 1 18 14 65 o -0.3015000     1.415000      ?             ?      
1 1 1 18 14 66 o 3.636000       1.554000      ?             ?      
1 1 1 18 14 67 o 1.665000       1.579000      ?             ?      
1 1 1 18 14 68 o 1.808000       1.823000      ?             ?      
1 1 1 18 14 69 o 1.752000       1.867000      ?             ?      
1 1 1 18 14 70 o -0.1235000     1.505000      ?             ?      
1 1 1 18 14 71 o 0.7270000      1.329000      ?             ?      
1 1 1 18 15 0  o 43.63000       1.912000      1099.260      0.0    
1 1 1 18 15 1  o 7.354000       0.6745000     351.5255      -12.2  
1 1 1 18 15 2  o 11.90000       0.7813000     447.3300      -51.2  
1 1 1 18 15 3  o 63.49000       1.633000      1430.048      -94.0  
1 1 1 18 15 4  o 10.72000       0.9915000     649.9622      -92.4  
1 1 1 18 15 5  o 56.46000       2.023000      1004.328      -88.4  
1 1 1 18 15 6  o 75.83000       2.348000      1004.300      174.1  
1 1 1 18 15 7  o 9.019000       0.9891000     469.4215      173.3  
1 1 1 18 15 8  o 48.04000       1.435000      964.0341      -103.3 
1 1 1 18 15 9  o 15.02000       1.019000      755.0045      159.8  
1 1 1 18 15 10 o 8.617000       1.161000      287.3544      -135.5 
1 1 1 18 15 11 o 15.67000       1.086000      543.6367      -35.4  
1 1 1 18 15 12 o 15.25000       0.9987000     844.6398      -116.2 
1 1 1 18 15 13 o 1.948000       1.124000      259.0508      26.4   
1 1 1 18 15 14 o -0.2947000     1.145000      353.6152      130.4  
1 1 1 18 15 15 o 20.21000       1.265000      784.2324      -76.1  
1 1 1 18 15 16 o 42.50000       1.619000      1049.576      -172.6 
1 1 1 18 15 17 o 5.829000       1.072000      477.2766      89.1   
1 1 1 18 15 18 o 27.06000       1.274000      875.3375      177.5  
1 1 1 18 15 19 o 47.89000       1.641000      1231.697      -55.6  
1 1 1 18 15 20 o 2.860000       1.016000      251.7184      -8.5   
1 1 1 18 15 21 o 34.55000       1.287000      434.4778      56.9   
1 1 1 18 15 22 o 88.67000       2.100000      1158.325      143.8  
1 1 1 18 15 23 o 19.65000       1.170000      731.1046      2.6    
1 1 1 18 15 24 o 6.151000       0.9992000     304.4907      -15.2  
1 1 1 18 15 25 o 4.517000       0.9749000     286.2431      -122.3 
1 1 1 18 15 26 o 1.197000       1.048000      251.1715      16.3   
1 1 1 18 15 27 o -0.1285000     1.043000      254.1778      171.4  
1 1 1 18 15 28 o 30.00000       1.433000      790.6486      38.2   
1 1 1 18 15 29 o 1.062000       1.018000      162.0620      95.2   
1 1 1 18 15 30 f 6.416000       1.088000      215.7070      150.3  
1 1 1 18 15 31 o 7.756000       1.122000      404.2848      136.8  
1 1 1 18 15 32 o 16.20000       1.332000      611.1272      95.2   
1 1 1 18 15 33 o 3.852000       1.117000      332.4771      -142.7 
1 1 1 18 15 34 o 3.583000       1.017000      266.7083      165.8  
1 1 1 18 15 35 o 3.999000       1.006000      84.34724      136.3  
1 1 1 18 15 36 o 26.36000       1.367000      633.3889      80.7   
1 1 1 18 15 37 o 3.904000       1.273000      137.5327      155.8  
1 1 1 18 15 38 o 1.745000       1.160000      103.0692      11.7   
1 1 1 18 15 39 o 6.438000       1.088000      361.6574      -157.6 
1 1 1 18 15 40 o 4.110000       1.092000      246.4814      -55.8  
1 1 1 18 15 41 o 3.878000       1.110000      263.4976      159.5  
1 1 1 18 15 42 o 8.903000       1.174000      548.7823      17.9   
1 1 1 18 15 43 o 5.852000       1.157000      343.0647      16.4   
1 1 1 18 15 44 o 6.007000       1.319000      317.3713      -175.8 
1 1 1 18 15 45 o 3.671000       1.189000      150.8093      60.9   
1 1 1 18 15 46 o 1.329000       1.214000      201.7933      -105.8 
1 1 1 18 15 47 o 12.31000       1.321000      482.7001      -9.7   
1 1 1 18 15 48 o 1.314000       1.278000      281.9575      95.5   
1 1 1 18 15 49 o 1.246000       1.467000      137.0042      -62.9  
1 1 1 18 15 50 o 17.50000       1.770000      656.6943      155.2  
1 1 1 18 15 51 o 0.3551000      1.810000      66.43932      27.5   
1 1 1 18 15 52 o 1.043000       1.573000      80.74434      123.6  
1 1 1 18 15 53 o 4.745000       1.758000      153.2603      87.1   
1 1 1 18 15 54 o 1.883000       1.818000      270.8164      -66.0  
1 1 1 18 15 55 o 5.514000       1.529000      ?             ?      
1 1 1 18 15 56 o 0.8744000      1.289000      ?             ?      
1 1 1 18 15 57 o 2.614000       1.281000      ?             ?      
1 1 1 18 15 58 o 3.918000       1.297000      ?             ?      
1 1 1 18 15 59 o -2.972000      1.251000      ?             ?      
1 1 1 18 15 60 o 1.287000       1.255000      ?             ?      
1 1 1 18 15 61 o 2.580000       1.261000      ?             ?      
1 1 1 18 15 62 o 1.206000       1.254000      ?             ?      
1 1 1 18 15 63 o 1.224000       1.253000      ?             ?      
1 1 1 18 15 64 o 1.160000       1.259000      ?             ?      
1 1 1 18 15 65 o 1.408000       1.290000      ?             ?      
1 1 1 18 15 66 o 1.611000       1.446000      ?             ?      
1 1 1 18 15 67 o 0.2796000      1.404000      ?             ?      
1 1 1 18 15 68 o -1.250000      1.666000      ?             ?      
1 1 1 18 15 69 o 2.097000       1.662000      ?             ?      
1 1 1 18 15 70 o 2.400000       1.333000      ?             ?      
1 1 1 18 15 71 o 2.245000       1.342000      ?             ?      
1 1 1 18 16 0  o 214.9000       8.648000      1875.589      -180.0 
1 1 1 18 16 1  o 20.81000       0.9106000     695.7395      118.1  
1 1 1 18 16 2  o 102.2000       2.590000      1536.758      -25.6  
1 1 1 18 16 3  o 0.9003000      0.7787000     571.6219      64.8   
1 1 1 18 16 4  o 226.5000       5.059000      1906.151      52.2   
1 1 1 18 16 5  o 14.50000       0.8983000     488.5475      -43.7  
1 1 1 18 16 6  o 8.574000       0.8966000     587.4473      -129.8 
1 1 1 18 16 7  o 11.77000       0.9951000     469.5991      -138.8 
1 1 1 18 16 8  o 52.33000       1.560000      981.3860      51.1   
1 1 1 18 16 9  o 85.86000       1.956000      1265.580      -86.6  
1 1 1 18 16 10 o 29.65000       1.314000      771.7523      -128.8 
1 1 1 18 16 11 o 12.54000       1.159000      218.8845      -92.7  
1 1 1 18 16 12 o 0.7919000      1.019000      39.93414      148.3  
1 1 1 18 16 13 o 5.117000       1.150000      529.4429      -11.7  
1 1 1 18 16 14 o 81.48000       2.359000      1444.204      122.7  
1 1 1 18 16 15 o 6.715000       1.130000      661.3121      143.6  
1 1 1 18 16 16 o 31.32000       1.461000      803.3826      -49.6  
1 1 1 18 16 17 o 12.51000       1.223000      405.5524      144.3  
1 1 1 18 16 18 o 55.42000       1.617000      1147.589      10.6   
1 1 1 18 16 19 o 13.58000       1.083000      567.9731      -78.7  
1 1 1 18 16 20 o 25.98000       1.226000      459.5337      59.2   
1 1 1 18 16 21 o 10.84000       1.130000      365.2944      4.6    
1 1 1 18 16 22 o 15.79000       1.049000      557.6180      -17.9  
1 1 1 18 16 23 o 25.41000       1.140000      684.0859      35.4   
1 1 1 18 16 24 o 4.346000       0.9941000     432.8370      83.8   
1 1 1 18 16 25 o -0.5130000E-01 0.9610000     193.8120      -52.9  
1 1 1 18 16 26 o 12.43000       1.035000      640.9643      131.9  
1 1 1 18 16 27 o 4.194000       1.057000      312.1532      -101.4 
1 1 1 18 16 28 o 3.994000       1.120000      317.1086      -104.6 
1 1 1 18 16 29 o 30.57000       1.349000      768.2329      100.4  
1 1 1 18 16 30 o -0.4666000     1.043000      237.6614      70.3   
1 1 1 18 16 31 o 5.848000       1.121000      548.7253      95.0   
1 1 1 18 16 32 o 13.35000       1.201000      447.9133      -90.9  
1 1 1 18 16 33 o 19.93000       1.407000      594.1581      -119.7 
1 1 1 18 16 34 o 3.685000       1.143000      183.5270      -178.1 
1 1 1 18 16 35 o 38.76000       1.518000      717.2768      -176.4 
1 1 1 18 16 36 o 9.237000       1.164000      472.9719      145.1  
1 1 1 18 16 37 o 6.169000       1.225000      336.9925      -41.8  
1 1 1 18 16 38 o 26.88000       1.396000      704.0430      -96.7  
1 1 1 18 16 39 o 0.2965000      1.068000      35.74655      135.5  
1 1 1 18 16 40 o 10.03000       1.126000      615.6135      -142.1 
1 1 1 18 16 41 o 15.17000       1.201000      662.9702      172.9  
1 1 1 18 16 42 o 16.01000       1.239000      518.8536      -112.1 
1 1 1 18 16 43 o 2.381000       1.149000      49.36736      -162.9 
1 1 1 18 16 44 o 9.681000       1.230000      425.4702      -0.5   
1 1 1 18 16 45 o 5.596000       1.214000      302.6684      165.3  
1 1 1 18 16 46 o 32.09000       1.525000      871.3785      127.8  
1 1 1 18 16 47 o 0.4310000      1.250000      241.3877      -97.9  
1 1 1 18 16 48 o -0.4476000     1.266000      111.9756      117.7  
1 1 1 18 16 49 o 3.854000       1.495000      214.7112      -98.9  
1 1 1 18 16 50 o 2.519000       1.652000      149.3994      163.1  
1 1 1 18 16 51 o 27.02000       1.770000      776.8201      -139.9 
1 1 1 18 16 52 o 4.484000       1.579000      358.7432      149.8  
1 1 1 18 16 53 o 15.85000       2.076000      671.2173      16.8   
1 1 1 18 16 54 o -1.266000      1.734000      ?             ?      
1 1 1 18 16 55 o 1.507000       1.327000      ?             ?      
1 1 1 18 16 56 o 0.8748000      1.279000      ?             ?      
1 1 1 18 16 57 o 2.889000       1.286000      ?             ?      
1 1 1 18 16 58 o 9.363000       1.332000      ?             ?      
1 1 1 18 16 59 o 2.406000       1.261000      ?             ?      
1 1 1 18 16 60 o 2.834000       1.265000      ?             ?      
1 1 1 18 16 61 o 5.035000       1.275000      ?             ?      
1 1 1 18 16 62 o 7.049000       1.296000      ?             ?      
1 1 1 18 16 63 o 1.986000       1.256000      ?             ?      
1 1 1 18 16 64 o 1.911000       1.267000      ?             ?      
1 1 1 18 16 65 o 0.5489000      1.260000      ?             ?      
1 1 1 18 16 66 o 1.050000       1.425000      ?             ?      
1 1 1 18 16 67 o 3.755000       1.673000      ?             ?      
1 1 1 18 16 68 o -0.2123000E-01 1.830000      ?             ?      
1 1 1 18 16 69 o 1.354000       2.476000      ?             ?      
1 1 1 18 16 70 o 0.7703000      1.423000      ?             ?      
1 1 1 18 17 0  o -2.147000      1.201000      89.82474      -0.0   
1 1 1 18 17 1  o 19.92000       1.052000      662.0137      152.5  
1 1 1 18 17 2  o 65.17000       2.250000      1300.674      -136.6 
1 1 1 18 17 3  o 6.493000       0.8459000     374.0798      -44.9  
1 1 1 18 17 4  o 7.598000       0.9069000     429.3486      -86.3  
1 1 1 18 17 5  o 24.42000       1.185000      251.2017      120.6  
1 1 1 18 17 6  o 1.882000       0.8769000     284.3988      -163.5 
1 1 1 18 17 7  o 22.07000       1.076000      617.7432      -85.1  
1 1 1 18 17 8  o 14.32000       1.110000      416.8936      -114.9 
1 1 1 18 17 9  o 21.88000       1.126000      638.2559      -166.6 
1 1 1 18 17 10 o 4.004000       1.122000      590.7145      -151.6 
1 1 1 18 17 11 o 41.62000       1.366000      876.7652      -36.8  
1 1 1 18 17 12 o 96.41000       3.361000      1209.649      81.6   
1 1 1 18 17 13 o 37.71000       1.583000      465.3185      -48.8  
1 1 1 18 17 14 o 6.527000       1.355000      609.1146      166.6  
1 1 1 18 17 15 o 32.14000       1.862000      841.3583      -26.1  
1 1 1 18 17 16 o 28.35000       1.771000      906.1686      -130.0 
1 1 1 18 17 17 o 39.76000       1.562000      1001.934      77.9   
1 1 1 18 17 18 o 31.34000       1.330000      710.8992      -156.2 
1 1 1 18 17 19 o 8.198000       1.071000      459.6759      -85.1  
1 1 1 18 17 20 o 151.3000       3.711000      1338.328      118.4  
1 1 1 18 17 21 o 62.02000       1.901000      863.2032      69.3   
1 1 1 18 17 22 o 33.67000       1.264000      906.1694      113.4  
1 1 1 18 17 23 o 7.438000       0.9780000     151.9398      -22.1  
1 1 1 18 17 24 o 12.06000       1.015000      459.2511      141.4  
1 1 1 18 17 25 o 58.65000       1.650000      1095.439      -124.1 
1 1 1 18 17 26 o 55.69000       1.600000      967.2335      40.5   
1 1 1 18 17 27 o 13.65000       1.130000      591.1342      -28.3  
1 1 1 18 17 28 o 3.291000       1.053000      404.6012      -7.2   
1 1 1 18 17 29 o 24.41000       1.363000      698.2510      -178.7 
1 1 1 18 17 30 o 31.21000       1.365000      706.1130      93.5   
1 1 1 18 17 31 o 50.60000       1.731000      1057.514      3.4    
1 1 1 18 17 32 o 0.9167000      1.107000      106.4713      -176.1 
1 1 1 18 17 33 o 7.344000       1.519000      400.8927      157.3  
1 1 1 18 17 34 o 16.09000       1.252000      579.3905      -23.4  
1 1 1 18 17 35 o 2.801000       1.134000      282.4180      147.7  
1 1 1 18 17 36 o 3.710000       1.262000      267.5959      31.8   
1 1 1 18 17 37 o -0.9028000     1.140000      96.96194      69.7   
1 1 1 18 17 38 o 19.30000       1.224000      569.2583      37.1   
1 1 1 18 17 39 o 8.979000       1.130000      500.3166      -130.6 
1 1 1 18 17 40 o 24.85000       1.290000      791.8535      21.8   
1 1 1 18 17 41 o 7.184000       1.143000      452.6050      -38.0  
1 1 1 18 17 42 o 6.044000       1.160000      208.1756      0.7    
1 1 1 18 17 43 o 17.94000       1.288000      506.0002      96.1   
1 1 1 18 17 44 o 9.655000       1.244000      328.0700      106.0  
1 1 1 18 17 45 o 5.725000       1.241000      335.2426      76.5   
1 1 1 18 17 46 o 4.891000       1.248000      319.0145      -0.5   
1 1 1 18 17 47 o 7.278000       1.439000      368.7346      -64.2  
1 1 1 18 17 48 o 2.849000       1.299000      193.6883      19.1   
1 1 1 18 17 49 o 3.564000       1.351000      274.2519      -159.3 
1 1 1 18 17 50 o -0.4310000E-01 1.520000      113.9220      -9.0   
1 1 1 18 17 51 o 0.8658000      1.505000      31.50010      -151.6 
1 1 1 18 17 52 o 2.102000       2.262000      162.9244      48.5   
1 1 1 18 17 53 o 5.629000       3.872000      327.0013      -97.0  
1 1 1 18 17 54 o 2.195000       1.687000      ?             ?      
1 1 1 18 17 55 o 5.533000       1.310000      ?             ?      
1 1 1 18 17 56 o 1.139000       1.264000      ?             ?      
1 1 1 18 17 57 o -0.3030000     1.258000      ?             ?      
1 1 1 18 17 58 o 3.375000       1.278000      ?             ?      
1 1 1 18 17 59 o 1.879000       1.248000      ?             ?      
1 1 1 18 17 60 o 8.419000       1.302000      ?             ?      
1 1 1 18 17 61 o 3.460000       1.271000      ?             ?      
1 1 1 18 17 62 o -0.6679000     1.244000      ?             ?      
1 1 1 18 17 63 o 0.9178000      1.259000      ?             ?      
1 1 1 18 17 64 o 1.443000       1.250000      ?             ?      
1 1 1 18 17 65 o -0.3154000     1.252000      ?             ?      
1 1 1 18 17 66 o 3.545000       1.443000      ?             ?      
1 1 1 18 17 67 o 2.812000       1.861000      ?             ?      
1 1 1 18 17 68 o -1.155000      1.688000      ?             ?      
1 1 1 18 17 69 o -1.577000      1.414000      ?             ?      
1 1 1 18 17 70 o 1.715000       1.431000      ?             ?      
1 1 1 18 18 0  o 136.9000       4.100000      1454.252      -180.0 
1 1 1 18 18 1  o 64.90000       2.080000      1140.121      -26.7  
1 1 1 18 18 2  o 106.5000       3.059000      1744.162      90.7   
1 1 1 18 18 3  o 88.62000       2.104000      1409.548      103.3  
1 1 1 18 18 4  o 230.9000       4.280000      1619.256      115.1  
1 1 1 18 18 5  o 12.10000       1.037000      477.1395      -0.9   
1 1 1 18 18 6  o 36.04000       1.372000      701.2242      -98.0  
1 1 1 18 18 7  o 19.47000       1.246000      680.7618      90.8   
1 1 1 18 18 8  o 123.0000       2.888000      1393.404      21.8   
1 1 1 18 18 9  o 135.0000       3.353000      1429.659      -66.4  
1 1 1 18 18 10 o 102.1000       2.471000      1365.921      -148.7 
1 1 1 18 18 11 o 21.89000       1.697000      924.6940      98.1   
1 1 1 18 18 12 o 5.491000       1.505000      615.0899      86.8   
1 1 1 18 18 13 o 18.84000       1.678000      570.3420      157.6  
1 1 1 18 18 14 o 84.26000       2.688000      1445.426      80.0   
1 1 1 18 18 15 o 66.68000       2.314000      1194.498      -2.5   
1 1 1 18 18 16 o 78.62000       2.165000      747.2021      91.6   
1 1 1 18 18 17 o 22.12000       1.216000      365.3586      -160.2 
1 1 1 18 18 18 o 19.73000       1.171000      639.1002      -64.3  
1 1 1 18 18 19 o 64.98000       1.826000      767.3682      -134.8 
1 1 1 18 18 20 o 51.52000       1.657000      1182.790      -13.3  
1 1 1 18 18 21 o 6.908000       1.020000      541.1525      144.6  
1 1 1 18 18 22 o 5.150000       0.9994000     251.0920      9.3    
1 1 1 18 18 23 o 8.060000       0.9786000     493.7522      -138.0 
1 1 1 18 18 24 o 3.979000       0.9502000     512.2889      69.8   
1 1 1 18 18 25 o 17.68000       1.045000      453.9817      158.7  
1 1 1 18 18 26 o 1.399000       0.9403000     234.6289      87.6   
1 1 1 18 18 27 o 10.26000       1.089000      433.1869      -45.2  
1 1 1 18 18 28 o 6.804000       1.067000      242.9916      71.5   
1 1 1 18 18 29 o 43.43000       1.662000      941.0872      116.3  
1 1 1 18 18 30 o 27.59000       1.317000      746.5600      155.3  
1 1 1 18 18 31 o 6.006000       1.102000      243.4113      -99.4  
1 1 1 18 18 32 o 35.01000       1.557000      577.8064      121.8  
1 1 1 18 18 33 o 34.76000       1.503000      682.4970      144.3  
1 1 1 18 18 34 o 9.373000       1.326000      373.1974      -126.1 
1 1 1 18 18 35 o 7.008000       1.307000      298.9445      152.6  
1 1 1 18 18 36 o 3.722000       1.224000      378.6266      176.9  
1 1 1 18 18 37 o 13.21000       1.444000      524.4678      -133.6 
1 1 1 18 18 38 o 87.39000       2.273000      1264.581      -145.1 
1 1 1 18 18 39 o 0.5816000      1.070000      153.3084      -144.5 
1 1 1 18 18 40 o 2.097000       1.088000      73.49008      -69.4  
1 1 1 18 18 41 o 18.60000       1.264000      674.3022      160.4  
1 1 1 18 18 42 o 11.11000       1.199000      355.7526      -49.8  
1 1 1 18 18 43 o 37.93000       1.554000      897.6339      157.7  
1 1 1 18 18 44 o 1.982000       1.212000      120.7061      -172.1 
1 1 1 18 18 45 o 7.276000       1.265000      428.6132      121.4  
1 1 1 18 18 46 o -0.1916000     1.254000      189.1765      71.8   
1 1 1 18 18 47 o 9.290000       1.350000      301.6707      -58.9  
1 1 1 18 18 48 o 10.94000       1.559000      464.3282      -166.0 
1 1 1 18 18 49 o 16.88000       1.463000      584.8923      -169.4 
1 1 1 18 18 50 f 20.30000       1.682000      492.2578      -165.4 
1 1 1 18 18 51 o 2.402000       1.638000      232.9018      127.9  
1 1 1 18 18 52 o 7.511000       1.727000      361.7701      79.8   
1 1 1 18 18 53 o 2.386000       1.770000      333.9218      50.0   
1 1 1 18 18 54 o 21.46000       1.790000      ?             ?      
1 1 1 18 18 55 o 3.960000       1.399000      ?             ?      
1 1 1 18 18 56 o 6.435000       1.292000      ?             ?      
1 1 1 18 18 57 o 6.680000       1.294000      ?             ?      
1 1 1 18 18 58 o 1.707000       1.249000      ?             ?      
1 1 1 18 18 59 o 10.82000       1.313000      ?             ?      
1 1 1 18 18 60 o 3.348000       1.266000      ?             ?      
1 1 1 18 18 61 o 4.673000       1.261000      ?             ?      
1 1 1 18 18 62 o 2.564000       1.255000      ?             ?      
1 1 1 18 18 63 o 2.283000       1.252000      ?             ?      
1 1 1 18 18 64 o 1.859000       1.255000      ?             ?      
1 1 1 18 18 65 o 1.286000       1.268000      ?             ?      
1 1 1 18 18 66 o 1.862000       1.449000      ?             ?      
1 1 1 18 18 67 o -0.5322000     2.009000      ?             ?      
1 1 1 18 18 68 o 3.042000       1.677000      ?             ?      
1 1 1 18 18 69 o -0.5302000     1.418000      ?             ?      
1 1 1 18 18 70 o 0.7127000E-01  1.558000      ?             ?      
1 1 1 18 19 0  o 150.3000       4.487000      1711.814      -180.0 
1 1 1 18 19 1  o 165.9000       3.642000      1712.338      150.1  
1 1 1 18 19 2  o 474.7000       9.527000      2664.213      -120.4 
1 1 1 18 19 3  o 15.55000       1.278000      638.9946      -98.6  
1 1 1 18 19 4  o 144.3000       3.301000      1456.544      38.5   
1 1 1 18 19 5  o 10.80000       1.108000      463.8941      115.8  
1 1 1 18 19 6  o 174.6000       3.428000      1700.092      -170.1 
1 1 1 18 19 7  o 1.957000       0.9956000     248.6786      -55.7  
1 1 1 18 19 8  o 10.68000       1.078000      517.4952      -78.0  
1 1 1 18 19 9  o 11.17000       1.122000      507.6475      -65.9  
1 1 1 18 19 10 o 131.8000       3.571000      1509.725      127.3  
1 1 1 18 19 11 o 52.56000       1.857000      931.1336      -1.6   
1 1 1 18 19 12 o 87.68000       2.979000      1537.129      -177.8 
1 1 1 18 19 13 o 20.20000       1.560000      672.1302      -154.7 
1 1 1 18 19 14 o 64.10000       2.391000      1045.834      49.8   
1 1 1 18 19 15 o 28.47000       1.828000      596.2801      121.2  
1 1 1 18 19 16 o 83.14000       2.529000      1102.241      120.8  
1 1 1 18 19 17 o 26.94000       1.383000      675.9221      117.1  
1 1 1 18 19 18 o 18.32000       1.144000      616.4256      -3.9   
1 1 1 18 19 19 o 62.61000       1.731000      1139.047      77.8   
1 1 1 18 19 20 o 47.57000       1.538000      782.9750      116.5  
1 1 1 18 19 21 o 38.18000       1.362000      853.5313      88.3   
1 1 1 18 19 22 o 32.47000       1.259000      728.0330      152.0  
1 1 1 18 19 23 o 7.231000       0.9806000     479.5715      40.8   
1 1 1 18 19 24 o 16.69000       1.126000      463.9584      -94.6  
1 1 1 18 19 25 o 22.88000       1.091000      743.3235      -167.2 
1 1 1 18 19 26 o 30.46000       1.289000      743.5571      13.6   
1 1 1 18 19 27 o 8.341000       0.9908000     509.7366      -60.3  
1 1 1 18 19 28 o 10.63000       1.113000      483.6817      -48.4  
1 1 1 18 19 29 o 17.59000       1.264000      643.1890      -161.7 
1 1 1 18 19 30 o 3.408000       1.118000      224.3955      86.7   
1 1 1 18 19 31 o 31.10000       1.383000      608.3187      -107.9 
1 1 1 18 19 32 o 3.825000       1.020000      351.3354      165.2  
1 1 1 18 19 33 o 5.957000       1.152000      339.4951      112.1  
1 1 1 18 19 34 o 59.09000       2.414000      1056.325      -53.8  
1 1 1 18 19 35 o 6.121000       1.420000      186.1059      -77.9  
1 1 1 18 19 36 o 69.82000       2.508000      1066.224      -32.8  
1 1 1 18 19 37 o 91.07000       2.499000      1318.230      -6.5   
1 1 1 18 19 38 o 31.10000       1.390000      744.0825      115.7  
1 1 1 18 19 39 o 2.136000       1.082000      392.3897      112.0  
1 1 1 18 19 40 o 4.429000       1.101000      516.6636      59.7   
1 1 1 18 19 41 o 45.54000       1.629000      969.0190      -107.1 
1 1 1 18 19 42 o 0.9607000      1.163000      223.3497      107.3  
1 1 1 18 19 43 o 15.90000       1.295000      515.3544      58.7   
1 1 1 18 19 44 o 1.564000       1.220000      76.41364      -73.8  
1 1 1 18 19 45 o 35.68000       1.583000      820.8160      18.1   
1 1 1 18 19 46 o 19.24000       1.435000      613.6439      -66.1  
1 1 1 18 19 47 o 86.03000       2.608000      ?             ?      
1 1 1 18 19 48 o 4.061000       1.352000      344.7767      -65.0  
1 1 1 18 19 49 o 22.35000       1.506000      656.1166      -133.2 
1 1 1 18 19 50 o 4.849000       1.535000      288.8350      -97.1  
1 1 1 18 19 51 o 7.595000       1.764000      411.2169      -144.7 
1 1 1 18 19 52 o 4.127000       2.114000      242.0044      62.0   
1 1 1 18 19 53 o 2.522000       1.499000      ?             ?      
1 1 1 18 19 54 o 2.297000       1.448000      ?             ?      
1 1 1 18 19 55 o 6.946000       1.427000      ?             ?      
1 1 1 18 19 56 o 7.298000       1.309000      ?             ?      
1 1 1 18 19 57 o 5.924000       1.299000      ?             ?      
1 1 1 18 19 58 o 1.043000       1.249000      ?             ?      
1 1 1 18 19 59 o 0.5023000      1.235000      ?             ?      
1 1 1 18 19 60 o -0.1188000     1.232000      ?             ?      
1 1 1 18 19 61 o 1.288000       1.241000      ?             ?      
1 1 1 18 19 62 o 1.937000       1.262000      ?             ?      
1 1 1 18 19 63 o 5.993000       1.290000      ?             ?      
1 1 1 18 19 64 o 0.3410000      1.254000      ?             ?      
1 1 1 18 19 65 o 5.958000       1.307000      ?             ?      
1 1 1 18 19 66 o 2.544000       1.447000      ?             ?      
1 1 1 18 19 67 o -3.725000      1.654000      ?             ?      
1 1 1 18 19 68 o 2.064000       1.548000      ?             ?      
1 1 1 18 19 69 f -0.5526000     1.654000      ?             ?      
1 1 1 18 20 0  o 417.5000       11.86000      2191.013      -180.0 
1 1 1 18 20 1  o 5.530000       1.076000      396.7743      74.6   
1 1 1 18 20 2  o 292.1000       5.897000      2191.675      39.5   
1 1 1 18 20 3  o 332.3000       7.231000      2476.772      -49.5  
1 1 1 18 20 4  o 17.67000       1.504000      526.0094      -179.4 
1 1 1 18 20 5  o 20.30000       1.032000      421.9211      -4.2   
1 1 1 18 20 6  o 2.626000       1.042000      140.7895      57.2   
1 1 1 18 20 7  o 96.34000       2.734000      1363.573      73.7   
1 1 1 18 20 8  o 0.4370000      1.209000      138.5609      -64.8  
1 1 1 18 20 9  o 78.32000       2.342000      1343.892      -99.4  
1 1 1 18 20 10 o 0.4235000      1.390000      373.3111      141.8  
1 1 1 18 20 11 o 1.375000       1.457000      289.4991      23.9   
1 1 1 18 20 12 o 1.029000       1.438000      71.98745      89.8   
1 1 1 18 20 13 o 61.08000       2.760000      1245.125      -127.2 
1 1 1 18 20 14 o 74.14000       2.611000      1108.208      168.4  
1 1 1 18 20 15 o 14.48000       1.211000      218.2935      -36.3  
1 1 1 18 20 16 o 47.49000       1.702000      816.7424      -100.9 
1 1 1 18 20 17 o 69.90000       2.003000      1006.631      -131.0 
1 1 1 18 20 18 o 9.684000       1.112000      408.9521      -8.0   
1 1 1 18 20 19 o 49.62000       1.528000      631.2697      1.0    
1 1 1 18 20 20 o 76.28000       1.912000      1339.398      -113.0 
1 1 1 18 20 21 o 70.77000       1.882000      981.6654      174.7  
1 1 1 18 20 22 o 12.73000       1.024000      432.1361      -53.6  
1 1 1 18 20 23 o 3.622000       0.9493000     233.6583      166.6  
1 1 1 18 20 24 o 14.51000       1.015000      751.7896      -3.9   
1 1 1 18 20 25 o 9.271000       0.9501000     453.6851      143.4  
1 1 1 18 20 26 o 7.733000       0.9412000     417.3896      -59.1  
1 1 1 18 20 27 o 69.16000       1.783000      1266.316      24.7   
1 1 1 18 20 28 o 2.171000       1.041000      475.1814      57.2   
1 1 1 18 20 29 o 4.577000       1.079000      247.2910      -129.9 
1 1 1 18 20 30 o 13.90000       1.224000      432.6798      156.3  
1 1 1 18 20 31 o 37.68000       1.501000      785.8466      68.4   
1 1 1 18 20 32 o 18.18000       1.158000      692.1021      -166.1 
1 1 1 18 20 33 o 21.11000       1.253000      493.1838      80.3   
1 1 1 18 20 34 o 12.95000       1.426000      583.6926      93.8   
1 1 1 18 20 35 o 3.665000       1.724000      310.1501      43.3   
1 1 1 18 20 36 o 0.6389000      1.321000      241.0118      122.3  
1 1 1 18 20 37 o 63.31000       1.853000      1147.297      -178.9 
1 1 1 18 20 38 o 13.51000       1.166000      571.3475      -158.2 
1 1 1 18 20 39 o 10.08000       1.145000      292.8430      -159.8 
1 1 1 18 20 40 o 9.802000       1.154000      363.8871      10.6   
1 1 1 18 20 41 o 19.23000       1.287000      746.1530      -170.6 
1 1 1 18 20 42 o 27.20000       1.403000      586.8587      29.2   
1 1 1 18 20 43 o 16.23000       1.308000      584.1229      164.6  
1 1 1 18 20 44 o 3.468000       1.247000      192.8144      -79.2  
1 1 1 18 20 45 o 14.41000       1.359000      525.3237      99.1   
1 1 1 18 20 46 o 28.11000       1.553000      625.0455      41.3   
1 1 1 18 20 47 o 2.395000       1.351000      237.1874      -6.2   
1 1 1 18 20 48 o 10.09000       1.379000      419.9589      -138.8 
1 1 1 18 20 49 o 6.090000       1.362000      335.5837      -52.9  
1 1 1 18 20 50 o 3.461000       1.357000      296.7427      -60.0  
1 1 1 18 20 51 o 21.87000       1.919000      601.6450      116.4  
1 1 1 18 20 52 o 1.526000       1.906000      169.3360      168.9  
1 1 1 18 20 53 o -1.715000      1.397000      ?             ?      
1 1 1 18 20 54 o 6.087000       1.434000      ?             ?      
1 1 1 18 20 55 o 10.82000       1.577000      ?             ?      
1 1 1 18 20 56 o 2.703000       1.383000      ?             ?      
1 1 1 18 20 57 o -1.103000      1.244000      ?             ?      
1 1 1 18 20 58 o 3.997000       1.251000      ?             ?      
1 1 1 18 20 59 o 1.786000       1.225000      ?             ?      
1 1 1 18 20 60 o 0.4926000      1.224000      ?             ?      
1 1 1 18 20 61 o 4.405000       1.260000      ?             ?      
1 1 1 18 20 62 o 0.1734000E-01  1.237000      ?             ?      
1 1 1 18 20 63 o 3.042000       1.268000      ?             ?      
1 1 1 18 20 64 o 1.939000       1.258000      ?             ?      
1 1 1 18 20 65 o 0.5410000      1.436000      ?             ?      
1 1 1 18 20 66 o -4.053000      2.222000      ?             ?      
1 1 1 18 20 67 o 0.9529000      1.672000      ?             ?      
1 1 1 18 20 68 o -1.031000      1.905000      ?             ?      
1 1 1 18 20 69 o 2.197000       1.646000      ?             ?      
1 1 1 18 21 0  o -1.570000      1.184000      624.6978      -180.0 
1 1 1 18 21 1  o 31.32000       1.102000      768.8785      126.0  
1 1 1 18 21 2  o 15.70000       1.147000      838.7662      -14.1  
1 1 1 18 21 3  o 86.49000       2.618000      1707.260      56.8   
1 1 1 18 21 4  o 85.52000       2.089000      1151.708      73.6   
1 1 1 18 21 5  o 155.6000       3.169000      1881.302      -168.0 
1 1 1 18 21 6  o 249.4000       5.856000      2070.324      129.0  
1 1 1 18 21 7  f 51.18000       1.845000      1106.017      0.8    
1 1 1 18 21 8  o 10.31000       1.215000      771.3307      -123.1 
1 1 1 18 21 9  o 7.421000       1.194000      633.8462      -12.3  
1 1 1 18 21 10 o 9.836000       2.059000      395.5324      151.7  
1 1 1 18 21 11 o 148.9000       4.449000      1808.746      -107.1 
1 1 1 18 21 12 o 39.94000       2.131000      854.8369      -118.6 
1 1 1 18 21 13 o 75.14000       2.627000      1131.755      -9.6   
1 1 1 18 21 14 o 147.5000       4.481000      1233.877      -9.0   
1 1 1 18 21 15 o 20.47000       1.615000      464.4259      132.5  
1 1 1 18 21 16 o 44.55000       1.641000      859.4349      61.6   
1 1 1 18 21 17 o 40.78000       1.440000      715.6022      39.6   
1 1 1 18 21 18 o 68.76000       2.069000      957.5963      39.8   
1 1 1 18 21 19 o 24.60000       1.218000      511.7806      2.5    
1 1 1 18 21 20 o 73.67000       2.465000      1078.079      125.2  
1 1 1 18 21 21 o 73.87000       2.127000      1313.870      43.8   
1 1 1 18 21 22 o 9.393000       0.9995000     452.5297      -43.5  
1 1 1 18 21 23 o 121.6000       2.962000      1519.391      5.6    
1 1 1 18 21 24 o 3.509000       0.9317000     74.44654      165.9  
1 1 1 18 21 25 o 3.129000       0.9179000     301.3562      75.8   
1 1 1 18 21 26 o 0.7499000      0.9100000     309.7062      -148.5 
1 1 1 18 21 27 o 18.96000       1.065000      704.6650      59.8   
1 1 1 18 21 28 o 2.238000       1.044000      120.5602      32.4   
1 1 1 18 21 29 o 23.89000       1.276000      850.0330      -170.2 
1 1 1 18 21 30 o 4.174000       1.165000      423.0126      112.1  
1 1 1 18 21 31 o 71.44000       2.113000      1222.085      -63.9  
1 1 1 18 21 32 o 2.044000       1.094000      61.11030      29.8   
1 1 1 18 21 33 o 1.492000       1.058000      265.0942      -116.7 
1 1 1 18 21 34 f 26.26000       1.915000      947.8904      152.8  
1 1 1 18 21 35 o 2.734000       1.390000      225.2201      -83.8  
1 1 1 18 21 36 o 51.30000       2.052000      1032.938      -31.7  
1 1 1 18 21 37 o 1.031000       1.190000      327.1831      29.9   
1 1 1 18 21 38 o 10.88000       1.146000      622.8019      -144.0 
1 1 1 18 21 39 o 3.662000       1.110000      456.7033      67.9   
1 1 1 18 21 40 o 3.333000       1.133000      212.3302      -70.1  
1 1 1 18 21 41 o 1.600000       1.157000      319.6181      76.9   
1 1 1 18 21 42 o 6.962000       1.194000      331.0425      23.0   
1 1 1 18 21 43 o 7.887000       1.234000      208.0007      103.1  
1 1 1 18 21 44 o 2.280000       1.240000      98.22455      161.5  
1 1 1 18 21 45 o 21.05000       1.435000      671.7367      -47.4  
1 1 1 18 21 46 o 34.13000       1.628000      683.4518      -82.3  
1 1 1 18 21 47 o 9.744000       1.360000      530.7916      -27.4  
1 1 1 18 21 48 o 5.060000       1.341000      385.7621      97.8   
1 1 1 18 21 49 o 21.24000       1.641000      728.7362      -52.8  
1 1 1 18 21 50 o 21.70000       1.646000      701.1307      -61.8  
1 1 1 18 21 51 o 6.607000       1.894000      401.3727      -119.4 
1 1 1 18 21 52 o 4.437000       1.904000      ?             ?      
1 1 1 18 21 53 o 3.627000       1.392000      ?             ?      
1 1 1 18 21 54 o 6.839000       1.302000      ?             ?      
1 1 1 18 21 55 o 2.829000       1.403000      ?             ?      
1 1 1 18 21 56 o 19.40000       1.550000      ?             ?      
1 1 1 18 21 57 o -0.2543000     1.243000      ?             ?      
1 1 1 18 21 58 o 0.4907000      1.230000      ?             ?      
1 1 1 18 21 59 o -0.2976000     1.214000      ?             ?      
1 1 1 18 21 60 o 5.241000       1.267000      ?             ?      
1 1 1 18 21 61 o 5.630000       1.282000      ?             ?      
1 1 1 18 21 62 o 0.7494000      1.240000      ?             ?      
1 1 1 18 21 63 o 3.199000       1.274000      ?             ?      
1 1 1 18 21 64 o 0.8723000      1.259000      ?             ?      
1 1 1 18 21 65 o 6.932000       1.648000      ?             ?      
1 1 1 18 21 66 o 6.931000       1.691000      ?             ?      
1 1 1 18 21 67 o -0.6721000     1.425000      ?             ?      
1 1 1 18 21 69 o 1.333000       1.451000      ?             ?      
1 1 1 18 22 0  o 46.93000       2.253000      733.0949      180.0  
1 1 1 18 22 1  o 190.5000       4.261000      1791.929      65.1   
1 1 1 18 22 2  o 72.46000       1.694000      1355.021      -56.3  
1 1 1 18 22 3  o 59.52000       1.748000      1027.691      -126.8 
1 1 1 18 22 4  o 59.34000       1.776000      1263.033      -109.5 
1 1 1 18 22 5  o 19.10000       1.137000      834.5837      -156.5 
1 1 1 18 22 6  o 62.20000       1.936000      1163.663      -29.5  
1 1 1 18 22 7  o 7.027000       1.112000      389.0699      91.8   
1 1 1 18 22 8  o 0.6131000      1.111000      131.6890      173.3  
1 1 1 18 22 9  o 106.8000       2.775000      1662.078      -67.2  
1 1 1 18 22 10 o 54.40000       1.981000      933.0108      58.7   
1 1 1 18 22 11 o 7.475000       1.467000      487.2492      -15.5  
1 1 1 18 22 12 o 1.309000       1.179000      215.4601      -24.6  
1 1 1 18 22 13 o 34.54000       1.724000      562.2315      81.2   
1 1 1 18 22 14 o 13.49000       1.543000      388.9367      -11.1  
1 1 1 18 22 15 o 41.21000       1.895000      884.1538      -81.6  
1 1 1 18 22 16 o 60.84000       1.927000      1097.645      156.8  
1 1 1 18 22 17 o 29.96000       1.424000      813.0262      -168.8 
1 1 1 18 22 18 f 12.22000       1.099000      553.5690      59.9   
1 1 1 18 22 19 o 5.168000       1.047000      313.6624      -25.6  
1 1 1 18 22 20 o 39.94000       1.387000      728.4332      177.7  
1 1 1 18 22 21 o 25.20000       1.154000      837.5151      153.7  
1 1 1 18 22 22 o 38.53000       1.523000      1053.547      35.8   
1 1 1 18 22 23 o 10.30000       0.9905000     420.5392      -113.6 
1 1 1 18 22 24 o 3.990000       0.9180000     397.1768      73.6   
1 1 1 18 22 25 o 2.952000       0.9222000     500.2293      -80.5  
1 1 1 18 22 26 o 3.181000       0.9186000     250.0683      136.6  
1 1 1 18 22 27 o 5.631000       0.9428000     322.7513      31.6   
1 1 1 18 22 28 o 68.39000       1.786000      1296.605      -118.6 
1 1 1 18 22 29 o 20.38000       1.220000      603.5370      68.2   
1 1 1 18 22 30 o 44.93000       1.718000      982.3967      57.5   
1 1 1 18 22 31 o 3.756000       1.190000      256.4933      -91.4  
1 1 1 18 22 32 o 27.06000       1.415000      921.6859      -69.4  
1 1 1 18 22 33 o 15.51000       1.309000      720.9585      157.1  
1 1 1 18 22 34 o 10.50000       1.360000      355.3655      158.2  
1 1 1 18 22 35 o 41.09000       1.974000      938.6354      -89.0  
1 1 1 18 22 36 o 29.12000       1.622000      822.8756      28.0   
1 1 1 18 22 37 o -0.1848000     1.188000      164.1215      136.1  
1 1 1 18 22 38 o 6.945000       1.145000      356.1743      -161.7 
1 1 1 18 22 39 o 8.002000       1.153000      283.4634      130.2  
1 1 1 18 22 40 o 24.11000       1.350000      691.0085      -161.7 
1 1 1 18 22 41 o -0.4178000     1.152000      79.20451      150.9  
1 1 1 18 22 42 o 2.309000       1.180000      284.5485      -51.1  
1 1 1 18 22 43 o 12.50000       1.273000      522.4669      -136.5 
1 1 1 18 22 44 o 11.80000       1.306000      498.7376      -27.1  
1 1 1 18 22 45 o 10.99000       1.347000      529.9965      69.6   
1 1 1 18 22 46 o 48.02000       1.797000      1087.747      10.8   
1 1 1 18 22 47 o 7.031000       1.331000      374.5720      146.9  
1 1 1 18 22 48 o 3.036000       1.317000      263.1685      104.8  
1 1 1 18 22 49 o 4.365000       1.336000      320.5123      26.8   
1 1 1 18 22 50 o 6.624000       1.479000      310.6635      154.5  
1 1 1 18 22 51 o 4.281000       1.521000      329.4674      -145.6 
1 1 1 18 22 52 o 3.672000       1.668000      ?             ?      
1 1 1 18 22 53 o 0.7793000      1.391000      ?             ?      
1 1 1 18 22 54 o 2.268000       1.354000      ?             ?      
1 1 1 18 22 55 o 0.7512000      1.386000      ?             ?      
1 1 1 18 22 56 o 1.094000       1.467000      ?             ?      
1 1 1 18 22 57 o 10.04000       1.407000      ?             ?      
1 1 1 18 22 58 o 1.239000       1.222000      ?             ?      
1 1 1 18 22 59 o 5.249000       1.255000      ?             ?      
1 1 1 18 22 60 o 1.641000       1.235000      ?             ?      
1 1 1 18 22 61 o 2.601000       1.253000      ?             ?      
1 1 1 18 22 62 o 2.788000       1.255000      ?             ?      
1 1 1 18 22 63 o 1.703000       1.265000      ?             ?      
1 1 1 18 22 64 o 1.502000       1.600000      ?             ?      
1 1 1 18 22 65 o 1.618000       1.687000      ?             ?      
1 1 1 18 22 66 o -0.8246000     1.948000      ?             ?      
1 1 1 18 22 67 o 0.9414000      1.285000      ?             ?      
1 1 1 18 22 68 o -2.126000      1.560000      ?             ?      
1 1 1 18 23 0  o 82.92000       2.668000      1727.094      180.0  
1 1 1 18 23 1  o 3.881000       0.8933000     452.5636      85.4   
1 1 1 18 23 2  o 1.705000       0.8701000     177.7769      -9.7   
1 1 1 18 23 3  o 49.64000       1.408000      1215.151      -65.6  
1 1 1 18 23 4  o 34.81000       1.210000      1085.539      98.9   
1 1 1 18 23 5  o 12.29000       0.9680000     664.9625      80.2   
1 1 1 18 23 6  o 12.74000       1.000000      511.4105      51.7   
1 1 1 18 23 7  o 31.98000       1.388000      947.6819      -49.1  
1 1 1 18 23 8  o 2.491000       1.312000      118.6807      176.5  
1 1 1 18 23 9  o 16.70000       1.434000      763.8706      147.7  
1 1 1 18 23 10 o 6.937000       1.377000      324.7451      -109.2 
1 1 1 18 23 11 o 8.379000       1.164000      426.6517      -141.9 
1 1 1 18 23 12 o 116.5000       3.381000      1329.498      147.9  
1 1 1 18 23 13 o 62.91000       2.749000      1303.160      -19.8  
1 1 1 18 23 14 o 90.08000       2.676000      1182.533      -76.7  
1 1 1 18 23 15 o 6.580000       1.191000      498.9533      52.7   
1 1 1 18 23 16 o 5.760000       1.401000      150.1374      46.1   
1 1 1 18 23 17 o 18.23000       1.533000      629.9698      -151.9 
1 1 1 18 23 18 o 27.68000       1.378000      873.1447      45.6   
1 1 1 18 23 19 o 11.53000       1.086000      364.2321      -57.5  
1 1 1 18 23 20 o 4.470000       1.035000      415.9821      22.1   
1 1 1 18 23 21 o -0.5644000     0.9444000     318.9686      5.2    
1 1 1 18 23 22 o 0.4792000      0.9314000     188.0473      -60.0  
1 1 1 18 23 23 o 18.87000       1.086000      636.7368      36.0   
1 1 1 18 23 24 o 6.116000       0.9309000     338.3018      41.7   
1 1 1 18 23 25 o 7.271000       0.9452000     351.2427      -177.3 
1 1 1 18 23 26 o 36.38000       1.279000      818.7718      -74.9  
1 1 1 18 23 27 o 41.78000       1.397000      910.9340      -6.8   
1 1 1 18 23 28 o 7.017000       0.9720000     342.2289      46.1   
1 1 1 18 23 29 o 1.644000       1.006000      238.8750      33.9   
1 1 1 18 23 30 o 0.1772000      1.057000      214.7094      115.2  
1 1 1 18 23 31 o 23.43000       1.401000      703.0536      -46.9  
1 1 1 18 23 32 o 18.13000       1.333000      704.3448      -118.0 
1 1 1 18 23 33 o 0.9883000      1.414000      100.8492      -64.2  
1 1 1 18 23 34 o 18.23000       1.382000      730.9352      -34.0  
1 1 1 18 23 35 o 2.432000       1.198000      422.4414      74.2   
1 1 1 18 23 36 o 12.09000       1.278000      583.0275      -19.8  
1 1 1 18 23 37 o 22.06000       1.512000      634.0105      -114.6 
1 1 1 18 23 38 o 22.33000       1.449000      842.7551      -83.9  
1 1 1 18 23 39 o 34.94000       1.489000      833.9457      23.5   
1 1 1 18 23 40 o 9.219000       1.211000      408.1466      36.9   
1 1 1 18 23 41 o 14.52000       1.250000      518.5101      -120.0 
1 1 1 18 23 42 o 9.174000       1.240000      320.9251      101.3  
1 1 1 18 23 43 o 5.909000       1.252000      447.8439      87.7   
1 1 1 18 23 44 o 1.563000       1.238000      141.7220      75.5   
1 1 1 18 23 45 o 24.96000       1.468000      769.4636      45.3   
1 1 1 18 23 46 o 2.214000       1.289000      60.62497      -15.3  
1 1 1 18 23 47 o 0.6943000      1.288000      105.6363      119.2  
1 1 1 18 23 48 o 0.5036000      1.296000      226.1814      -126.5 
1 1 1 18 23 49 o 21.46000       1.627000      738.5972      -86.8  
1 1 1 18 23 50 o -2.092000      1.556000      103.9415      -69.2  
1 1 1 18 23 51 o 20.73000       1.650000      ?             ?      
1 1 1 18 23 52 o 6.403000       1.460000      ?             ?      
1 1 1 18 23 53 o 7.604000       1.555000      ?             ?      
1 1 1 18 23 54 o 7.133000       1.413000      ?             ?      
1 1 1 18 23 55 o 0.2181000      1.246000      ?             ?      
1 1 1 18 23 56 o 0.4181000      1.374000      ?             ?      
1 1 1 18 23 57 o 6.005000       1.508000      ?             ?      
1 1 1 18 23 58 o 2.152000       1.231000      ?             ?      
1 1 1 18 23 59 o 1.685000       1.223000      ?             ?      
1 1 1 18 23 60 o 0.1039000      1.226000      ?             ?      
1 1 1 18 23 61 o 4.446000       1.276000      ?             ?      
1 1 1 18 23 62 o 0.6347000      1.346000      ?             ?      
1 1 1 18 23 63 o 0.8607000      1.358000      ?             ?      
1 1 1 18 23 64 o 7.565000       1.670000      ?             ?      
1 1 1 18 23 65 o 4.091000       1.479000      ?             ?      
1 1 1 18 23 66 o 1.576000       1.470000      ?             ?      
1 1 1 18 23 67 o 1.787000       1.440000      ?             ?      
1 1 1 18 23 68 o -2.375000      2.186000      ?             ?      
1 1 1 18 24 0  o 154.1000       5.340000      1635.617      0.0    
1 1 1 18 24 1  o 18.49000       0.9970000     533.7518      66.8   
1 1 1 18 24 2  o 48.45000       1.530000      930.3732      -98.9  
1 1 1 18 24 3  o 18.20000       0.9584000     480.6390      53.7   
1 1 1 18 24 4  o 19.05000       1.019000      859.1077      -79.1  
1 1 1 18 24 5  o 82.11000       2.542000      1312.504      175.0  
1 1 1 18 24 6  o -1.284000      0.9058000     67.77968      112.7  
1 1 1 18 24 7  o 44.66000       1.552000      1196.625      91.4   
1 1 1 18 24 8  o 12.36000       1.432000      632.7501      -144.8 
1 1 1 18 24 9  o 1.578000       1.295000      221.0094      -146.0 
1 1 1 18 24 10 o 25.93000       1.545000      825.9573      -71.8  
1 1 1 18 24 11 o 4.564000       1.109000      382.4753      -99.0  
1 1 1 18 24 12 o -0.6578000     1.145000      234.7026      93.2   
1 1 1 18 24 13 o 36.30000       2.116000      885.5082      -40.1  
1 1 1 18 24 14 o 10.43000       1.383000      318.2077      -168.8 
1 1 1 18 24 15 o 5.963000       1.347000      620.9116      -77.1  
1 1 1 18 24 16 o 10.14000       1.389000      633.3494      105.4  
1 1 1 18 24 17 o 5.626000       1.151000      219.2561      -169.6 
1 1 1 18 24 18 o 24.08000       1.340000      688.7181      95.9   
1 1 1 18 24 19 o 4.699000       1.381000      337.2093      156.9  
1 1 1 18 24 20 o 3.135000       1.063000      331.1705      -158.0 
1 1 1 18 24 21 o 1.328000       0.9616000     252.9234      121.9  
1 1 1 18 24 22 o 9.222000       1.014000      530.8594      -24.8  
1 1 1 18 24 23 o 35.26000       1.559000      1000.790      -137.0 
1 1 1 18 24 24 o 7.744000       0.9653000     484.1004      20.2   
1 1 1 18 24 25 o 3.381000       0.9280000     221.9051      149.1  
1 1 1 18 24 26 o 15.64000       1.046000      497.9456      150.4  
1 1 1 18 24 27 o -0.3686000     0.9236000     202.6475      -19.6  
1 1 1 18 24 28 o 4.863000       0.9480000     304.0362      -174.6 
1 1 1 18 24 29 o -0.4245000     0.9376000     45.76857      -128.5 
1 1 1 18 24 30 o 11.10000       1.102000      419.3764      73.6   
1 1 1 18 24 31 o 22.19000       1.474000      745.0347      -90.6  
1 1 1 18 24 32 o 1.866000       1.496000      341.2582      30.3   
1 1 1 18 24 33 o 2.061000       1.458000      106.9383      85.1   
1 1 1 18 24 34 o 0.9354000      1.105000      147.7175      -31.3  
1 1 1 18 24 35 o 19.51000       1.205000      853.4999      -24.4  
1 1 1 18 24 36 o 6.618000       1.203000      297.8370      -57.4  
1 1 1 18 24 37 o -1.657000      1.343000      16.79920      160.3  
1 1 1 18 24 38 o 0.4174000      1.314000      156.4061      9.9    
1 1 1 18 24 39 o 13.53000       1.622000      439.6593      49.0   
1 1 1 18 24 40 o 7.671000       1.186000      329.0675      -30.7  
1 1 1 18 24 41 o 2.599000       1.166000      290.9915      -168.9 
1 1 1 18 24 42 o 15.53000       1.311000      619.0392      -83.4  
1 1 1 18 24 43 o 15.07000       1.321000      544.4113      -173.8 
1 1 1 18 24 44 o 1.906000       1.245000      309.7852      101.3  
1 1 1 18 24 45 o 3.958000       1.279000      225.5749      26.3   
1 1 1 18 24 46 o -0.9686000     1.268000      19.79478      -71.7  
1 1 1 18 24 47 o 5.342000       1.319000      405.5377      -179.4 
1 1 1 18 24 48 o 1.169000       1.301000      292.5418      -41.9  
1 1 1 18 24 49 o 4.422000       1.452000      320.0990      86.2   
1 1 1 18 24 50 o 10.92000       1.555000      ?             ?      
1 1 1 18 24 51 o 17.11000       1.489000      ?             ?      
1 1 1 18 24 52 o 5.872000       1.307000      ?             ?      
1 1 1 18 24 53 o 1.289000       1.404000      ?             ?      
1 1 1 18 24 54 o 10.25000       1.446000      ?             ?      
1 1 1 18 24 55 o 2.275000       1.349000      ?             ?      
1 1 1 18 24 56 o 1.122000       1.358000      ?             ?      
1 1 1 18 24 57 o 1.659000       1.468000      ?             ?      
1 1 1 18 24 58 o 6.023000       1.387000      ?             ?      
1 1 1 18 24 59 o -0.4256000     1.225000      ?             ?      
1 1 1 18 24 60 o 1.569000       1.347000      ?             ?      
1 1 1 18 24 61 o 1.924000       1.347000      ?             ?      
1 1 1 18 24 62 o 0.1814000      1.334000      ?             ?      
1 1 1 18 24 63 o -0.8589000     1.388000      ?             ?      
1 1 1 18 24 64 o 0.4364000      1.440000      ?             ?      
1 1 1 18 24 65 o 1.247000       1.620000      ?             ?      
1 1 1 18 24 66 o 1.939000       1.429000      ?             ?      
1 1 1 18 24 67 o 4.443000       1.341000      ?             ?      
1 1 1 18 25 0  o 64.02000       2.345000      1231.355      180.0  
1 1 1 18 25 1  o 8.934000       0.8843000     437.5885      159.3  
1 1 1 18 25 2  o 16.42000       0.9599000     657.9681      -130.1 
1 1 1 18 25 3  o 30.84000       1.138000      939.9598      11.6   
1 1 1 18 25 4  o -2.474000      0.8602000     86.47027      95.8   
1 1 1 18 25 5  o 53.98000       1.595000      903.3960      -121.2 
1 1 1 18 25 6  o 8.077000       0.9452000     448.7283      -153.7 
1 1 1 18 25 7  o 27.05000       1.558000      663.3461      -134.3 
1 1 1 18 25 8  o 42.96000       1.812000      921.4300      170.9  
1 1 1 18 25 9  o 7.100000       1.289000      114.3317      -143.9 
1 1 1 18 25 10 o 12.44000       1.164000      607.9525      -113.1 
1 1 1 18 25 11 o 21.08000       1.526000      541.0728      -9.3   
1 1 1 18 25 12 o 7.397000       1.287000      394.1245      -136.9 
1 1 1 18 25 13 o -1.304000      1.710000      243.5419      -14.5  
1 1 1 18 25 14 o 12.54000       1.129000      508.4333      -86.6  
1 1 1 18 25 15 o 4.005000       1.110000      127.0387      23.9   
1 1 1 18 25 16 o 0.1546000      1.069000      178.4121      -32.0  
1 1 1 18 25 17 o 3.888000       1.336000      446.9369      -86.9  
1 1 1 18 25 18 o 15.16000       1.456000      665.0321      -82.0  
1 1 1 18 25 19 o 25.16000       1.306000      923.3331      -83.7  
1 1 1 18 25 20 o 1.673000       1.092000      214.5774      -89.3  
1 1 1 18 25 21 o -0.2034000     1.027000      263.6014      63.1   
1 1 1 18 25 22 o 40.68000       1.700000      1023.707      -100.5 
1 1 1 18 25 23 o 0.7423000      0.9462000     100.9820      -37.7  
1 1 1 18 25 24 o 1.108000       0.9238000     246.1081      -61.8  
1 1 1 18 25 25 o 21.63000       1.170000      609.9946      -153.5 
1 1 1 18 25 26 o 35.28000       1.379000      635.1876      -70.5  
1 1 1 18 25 27 o 7.621000       0.9753000     428.8581      32.2   
1 1 1 18 25 28 o 0.3725000      0.9296000     195.5865      -113.4 
1 1 1 18 25 29 o 5.573000       0.9628000     313.7185      -163.9 
1 1 1 18 25 30 o 16.44000       1.182000      583.8413      -26.9  
1 1 1 18 25 31 o 8.703000       1.205000      491.1814      155.8  
1 1 1 18 25 32 o 7.477000       1.496000      526.7808      -71.9  
1 1 1 18 25 33 o 2.329000       1.347000      242.8977      23.4   
1 1 1 18 25 34 o 20.93000       1.333000      640.2447      -14.3  
1 1 1 18 25 35 o 3.598000       1.076000      199.6703      161.5  
1 1 1 18 25 36 o 0.7907000E-01  1.081000      206.3978      -8.5   
1 1 1 18 25 37 o 2.670000       1.224000      134.0091      -42.4  
1 1 1 18 25 38 o 12.61000       1.525000      507.4690      56.2   
1 1 1 18 25 39 o 13.33000       1.425000      637.9256      66.1   
1 1 1 18 25 40 o 2.963000       1.186000      272.4761      155.4  
1 1 1 18 25 41 o 1.823000       1.188000      287.2471      -177.9 
1 1 1 18 25 42 o 1.784000       1.224000      71.64290      -139.7 
1 1 1 18 25 43 o 9.636000       1.287000      329.7798      128.4  
1 1 1 18 25 44 o 0.8291000      1.254000      114.0907      10.4   
1 1 1 18 25 45 o 6.161000       1.303000      479.7360      148.1  
1 1 1 18 25 46 o 3.212000       1.304000      376.7171      -2.2   
1 1 1 18 25 47 o 8.884000       1.340000      556.5114      -111.2 
1 1 1 18 25 48 o 10.47000       1.495000      390.7867      -173.1 
1 1 1 18 25 49 o 8.765000       1.622000      534.7175      -58.0  
1 1 1 18 25 50 o 3.405000       1.461000      ?             ?      
1 1 1 18 25 51 o 6.460000       1.293000      ?             ?      
1 1 1 18 25 52 o -0.1566000E-01 1.230000      ?             ?      
1 1 1 18 25 53 o 6.704000       1.434000      ?             ?      
1 1 1 18 25 54 o 3.648000       1.500000      ?             ?      
1 1 1 18 25 55 o 0.5086000      1.332000      ?             ?      
1 1 1 18 25 56 o 2.338000       1.232000      ?             ?      
1 1 1 18 25 57 o 2.509000       1.374000      ?             ?      
1 1 1 18 25 58 o 1.454000       1.447000      ?             ?      
1 1 1 18 25 59 o 1.377000       1.354000      ?             ?      
1 1 1 18 25 60 o 3.166000       1.350000      ?             ?      
1 1 1 18 25 61 o -0.8392000     1.221000      ?             ?      
1 1 1 18 25 62 o -0.2387000     1.234000      ?             ?      
1 1 1 18 25 63 o 0.4268000      1.576000      ?             ?      
1 1 1 18 25 64 o -0.6040000     1.637000      ?             ?      
1 1 1 18 25 65 o 2.203000       1.349000      ?             ?      
1 1 1 18 25 66 o -0.3964000E-01 1.290000      ?             ?      
1 1 1 18 25 67 o 3.511000       1.314000      ?             ?      
1 1 1 18 26 0  o 18.69000       1.366000      636.1948      0.0    
1 1 1 18 26 1  o 3.551000       0.8366000     100.4107      92.0   
1 1 1 18 26 2  o 17.63000       0.9709000     663.5668      156.2  
1 1 1 18 26 3  o 7.731000       0.8853000     473.6355      -20.3  
1 1 1 18 26 4  o 12.26000       0.9404000     395.4627      -70.3  
1 1 1 18 26 5  o -0.1954000     0.9059000     327.8117      86.0   
1 1 1 18 26 6  o 6.416000       1.035000      492.5714      -52.4  
1 1 1 18 26 7  o -0.1117000     1.308000      234.3785      82.6   
1 1 1 18 26 8  o 61.88000       2.499000      1285.140      -117.9 
1 1 1 18 26 9  o 12.45000       1.266000      667.4509      -120.3 
1 1 1 18 26 10 o 0.8061000      1.075000      173.6086      49.5   
1 1 1 18 26 11 o 8.807000       1.812000      456.5403      -41.5  
1 1 1 18 26 12 o 0.6509000      1.224000      183.2729      -89.4  
1 1 1 18 26 13 o 10.71000       1.275000      551.8243      -95.1  
1 1 1 18 26 14 o -0.9853000E-01 1.003000      89.76349      -75.2  
1 1 1 18 26 15 o 10.73000       1.127000      486.0193      -3.5   
1 1 1 18 26 16 o 1.189000       1.068000      255.9818      56.0   
1 1 1 18 26 17 o 2.268000       1.081000      323.4059      -3.6   
1 1 1 18 26 18 o 5.752000       1.131000      388.7930      -50.1  
1 1 1 18 26 19 o 3.462000       1.079000      615.8413      -33.3  
1 1 1 18 26 20 o 4.584000       1.248000      463.3226      5.0    
1 1 1 18 26 21 o 6.306000       1.301000      518.2009      -56.1  
1 1 1 18 26 22 o 6.886000       1.064000      326.4117      -8.4   
1 1 1 18 26 23 o 20.42000       1.220000      676.4197      -65.5  
1 1 1 18 26 24 o 5.605000       1.060000      288.8483      -147.2 
1 1 1 18 26 25 o 2.429000       1.033000      280.0487      -162.2 
1 1 1 18 26 26 o 0.2750000      0.9639000     182.6800      35.2   
1 1 1 18 26 27 o 8.007000       0.9858000     374.3400      49.9   
1 1 1 18 26 28 o 1.960000       0.9803000     173.9101      160.0  
1 1 1 18 26 29 o 1.375000       0.9694000     263.1125      -112.2 
1 1 1 18 26 30 o 2.746000       1.106000      275.2077      171.1  
1 1 1 18 26 31 o 2.872000       1.201000      342.4869      43.0   
1 1 1 18 26 32 o 1.236000       1.385000      252.9582      -82.8  
1 1 1 18 26 33 o 22.46000       1.458000      750.7849      7.7    
1 1 1 18 26 34 o 3.057000       1.159000      260.5345      -75.1  
1 1 1 18 26 35 o 2.973000       1.082000      218.7285      -130.0 
1 1 1 18 26 36 o 2.748000       1.096000      388.5996      -84.6  
1 1 1 18 26 37 o 9.931000       1.300000      316.2084      166.1  
1 1 1 18 26 38 o 5.017000       1.310000      331.3986      49.7   
1 1 1 18 26 39 o 3.907000       1.436000      323.4753      79.9   
1 1 1 18 26 40 o 2.661000       1.315000      163.2175      -130.5 
1 1 1 18 26 41 o 10.00000       1.279000      534.6129      -118.5 
1 1 1 18 26 42 o 34.41000       1.586000      848.6855      -85.1  
1 1 1 18 26 43 o 1.621000       1.260000      178.5081      -115.0 
1 1 1 18 26 44 o 8.660000       1.316000      373.0078      165.7  
1 1 1 18 26 45 o 7.640000       1.317000      407.2248      31.4   
1 1 1 18 26 46 o 18.97000       1.431000      704.4093      -95.1  
1 1 1 18 26 47 o 1.168000       1.311000      142.3055      -13.7  
1 1 1 18 26 48 o 6.068000       1.454000      463.5561      4.9    
1 1 1 18 26 49 o 2.092000       1.559000      ?             ?      
1 1 1 18 26 50 o 3.255000       1.339000      ?             ?      
1 1 1 18 26 51 o 0.4039000      1.236000      ?             ?      
1 1 1 18 26 52 o -0.2888000     1.206000      ?             ?      
1 1 1 18 26 53 o -0.4261000     1.370000      ?             ?      
1 1 1 18 26 54 o 4.688000       1.407000      ?             ?      
1 1 1 18 26 55 o 1.478000       1.344000      ?             ?      
1 1 1 18 26 56 o 0.9403000      1.362000      ?             ?      
1 1 1 18 26 57 o 3.894000       1.369000      ?             ?      
1 1 1 18 26 58 o 1.856000       1.449000      ?             ?      
1 1 1 18 26 59 o 0.3117000      1.334000      ?             ?      
1 1 1 18 26 60 o -0.2359000E-01 1.215000      ?             ?      
1 1 1 18 26 61 o 2.775000       1.354000      ?             ?      
1 1 1 18 26 62 o 0.6424000      1.519000      ?             ?      
1 1 1 18 26 63 o 0.9738000      1.439000      ?             ?      
1 1 1 18 26 64 o 2.319000       1.428000      ?             ?      
1 1 1 18 26 65 o 0.9001000      1.265000      ?             ?      
1 1 1 18 26 66 o 1.973000       1.281000      ?             ?      
1 1 1 18 27 0  o 28.22000       1.793000      779.1859      -180.0 
1 1 1 18 27 1  o -0.3726000     0.8183000     243.3004      -66.9  
1 1 1 18 27 2  o 13.99000       1.024000      633.2205      108.9  
1 1 1 18 27 3  o 4.069000       0.8564000     471.9072      -23.8  
1 1 1 18 27 4  o 10.91000       0.9170000     359.0581      -2.3   
1 1 1 18 27 5  o 17.77000       1.172000      619.5368      149.3  
1 1 1 18 27 6  o 20.37000       1.165000      610.5195      -63.2  
1 1 1 18 27 7  o 0.1385000      1.325000      78.85046      -135.6 
1 1 1 18 27 8  o 2.442000       1.360000      336.5432      -74.3  
1 1 1 18 27 9  o 4.437000       1.123000      457.4798      5.2    
1 1 1 18 27 10 f 1.818000       1.082000      191.3950      -104.9 
1 1 1 18 27 11 o 18.39000       1.371000      694.2950      -61.2  
1 1 1 18 27 12 o 4.064000       1.212000      274.1205      63.2   
1 1 1 18 27 13 o 15.05000       1.141000      529.6315      22.3   
1 1 1 18 27 14 o 25.70000       1.283000      677.8171      -45.9  
1 1 1 18 27 15 o 4.467000       1.084000      283.3654      71.6   
1 1 1 18 27 16 o 1.150000       1.052000      165.1780      28.8   
1 1 1 18 27 17 o 7.117000       1.105000      244.2916      30.4   
1 1 1 18 27 18 o 4.087000       1.081000      335.9691      -127.9 
1 1 1 18 27 19 o 10.32000       1.119000      380.8736      12.5   
1 1 1 18 27 20 o 2.753000       1.083000      181.3627      64.7   
1 1 1 18 27 21 o -0.2707000     1.053000      109.2963      21.0   
1 1 1 18 27 22 o 6.618000       1.118000      435.1873      -92.3  
1 1 1 18 27 23 o 1.759000       1.015000      332.8178      38.7   
1 1 1 18 27 24 o 2.069000       1.032000      339.0952      -122.7 
1 1 1 18 27 25 o 10.36000       1.002000      536.1646      -139.3 
1 1 1 18 27 26 o 1.647000       0.9466000     86.71316      159.2  
1 1 1 18 27 27 o 9.178000       1.111000      393.2136      -162.5 
1 1 1 18 27 28 o 8.198000       1.047000      416.1755      -134.5 
1 1 1 18 27 29 o 2.849000       0.9640000     298.7014      11.0   
1 1 1 18 27 30 o 2.788000       1.029000      229.4730      123.4  
1 1 1 18 27 31 o -2.655000      1.106000      45.73210      177.4  
1 1 1 18 27 32 o 5.345000       1.332000      433.4044      97.8   
1 1 1 18 27 33 o 0.1545000      1.334000      126.1838      -33.8  
1 1 1 18 27 34 o 5.362000       1.132000      276.3228      -128.7 
1 1 1 18 27 35 o -0.6369000     1.064000      196.9935      73.3   
1 1 1 18 27 36 o 4.077000       1.115000      327.3758      86.9   
1 1 1 18 27 37 o 5.095000       1.150000      365.1361      94.6   
1 1 1 18 27 38 o 7.507000       1.312000      365.6687      -131.4 
1 1 1 18 27 39 o 6.411000       1.436000      357.1756      117.8  
1 1 1 18 27 40 o 0.1117000      1.318000      42.45504      140.1  
1 1 1 18 27 41 o 1.594000       1.382000      228.0135      -27.0  
1 1 1 18 27 42 o 3.327000       1.287000      309.3432      -26.6  
1 1 1 18 27 43 o -0.1062000     1.252000      195.8646      -146.9 
1 1 1 18 27 44 o 3.484000       1.280000      242.5220      38.4   
1 1 1 18 27 45 o 4.936000       1.295000      227.9136      -37.8  
1 1 1 18 27 46 o 1.517000       1.284000      221.9944      53.9   
1 1 1 18 27 47 o 6.460000       1.391000      316.7971      -93.2  
1 1 1 18 27 48 o -2.265000      1.535000      ?             ?      
1 1 1 18 27 49 o 10.82000       1.503000      ?             ?      
1 1 1 18 27 50 o -2.111000      1.241000      ?             ?      
1 1 1 18 27 51 o 1.542000       1.230000      ?             ?      
1 1 1 18 27 52 o 0.4602000      1.210000      ?             ?      
1 1 1 18 27 53 o 10.27000       1.433000      ?             ?      
1 1 1 18 27 54 o -0.4389000     1.712000      ?             ?      
1 1 1 18 27 55 o 1.460000       1.698000      ?             ?      
1 1 1 18 27 56 o 0.3029000      1.545000      ?             ?      
1 1 1 18 27 57 o 0.3942000      1.210000      ?             ?      
1 1 1 18 27 58 o -0.2694000     1.336000      ?             ?      
1 1 1 18 27 59 o 1.232000       1.628000      ?             ?      
1 1 1 18 27 60 o -1.332000      1.692000      ?             ?      
1 1 1 18 27 61 o -0.1920000E-01 1.246000      ?             ?      
1 1 1 18 27 62 o -0.2136000     1.363000      ?             ?      
1 1 1 18 27 63 o -0.4120000     1.402000      ?             ?      
1 1 1 18 27 64 o 0.4504000      1.317000      ?             ?      
1 1 1 18 27 65 o -0.8932000E-02 1.267000      ?             ?      
1 1 1 18 27 66 o 0.2952000      1.283000      ?             ?      
1 1 1 18 28 0  o -2.495000      1.123000      256.2626      0.0    
1 1 1 18 28 1  o 2.544000       0.8053000     267.2301      -99.8  
1 1 1 18 28 2  o 0.4085000      0.8001000     53.78728      141.5  
1 1 1 18 28 3  f 2.680000       0.8208000     171.8294      -146.7 
1 1 1 18 28 4  o -1.900000      0.8410000     191.6966      178.4  
1 1 1 18 28 5  o 2.670000       0.9556000     342.7310      105.5  
1 1 1 18 28 6  o -0.2572000     0.9690000     54.09304      -144.6 
1 1 1 18 28 7  o 2.611000       1.049000      296.2193      -29.6  
1 1 1 18 28 8  o 5.260000       1.096000      327.5647      -147.3 
1 1 1 18 28 9  o 5.620000       1.119000      391.6972      158.6  
1 1 1 18 28 10 o 6.453000       1.099000      382.5616      13.0   
1 1 1 18 28 11 o 0.7316000      1.331000      182.3282      -120.2 
1 1 1 18 28 12 o 2.246000       1.190000      243.7215      63.9   
1 1 1 18 28 13 o 6.931000       1.032000      419.0746      -124.5 
1 1 1 18 28 14 o 2.986000       1.039000      188.9540      2.4    
1 1 1 18 28 15 o 0.6982000      1.065000      335.8549      58.1   
1 1 1 18 28 16 o -0.1043000     1.057000      129.0214      -172.6 
1 1 1 18 28 17 o 4.788000       1.093000      392.1015      -47.7  
1 1 1 18 28 18 o 2.047000       1.045000      53.63265      71.5   
1 1 1 18 28 19 o 1.918000       1.042000      270.8228      -16.9  
1 1 1 18 28 20 o 1.402000       1.031000      156.1292      -149.0 
1 1 1 18 28 21 o 10.84000       1.104000      374.6841      -133.8 
1 1 1 18 28 22 o 1.117000       1.033000      168.6976      28.2   
1 1 1 18 28 23 o 19.19000       1.326000      600.8776      -72.4  
1 1 1 18 28 24 o -0.7831000     0.9707000     116.8768      39.3   
1 1 1 18 28 25 o 3.369000       0.9590000     351.3615      1.0    
1 1 1 18 28 26 o 0.7878000      0.9809000     65.07613      23.0   
1 1 1 18 28 27 o 2.672000       0.9926000     345.1913      140.0  
1 1 1 18 28 28 o 3.096000       0.9460000     318.5195      -43.6  
1 1 1 18 28 29 o 1.060000       0.9692000     284.9577      -119.2 
1 1 1 18 28 30 o 4.641000       1.177000      343.3950      105.2  
1 1 1 18 28 31 o 2.536000       1.244000      258.2418      165.5  
1 1 1 18 28 32 o 5.316000       1.225000      312.1248      -3.2   
1 1 1 18 28 33 o 5.552000       1.213000      366.9652      -60.1  
1 1 1 18 28 34 o 0.4323000      1.141000      221.5385      41.2   
1 1 1 18 28 35 o 3.038000       1.166000      190.0341      -48.1  
1 1 1 18 28 36 o 7.865000       1.155000      412.9967      -127.2 
1 1 1 18 28 37 o 3.729000       1.142000      288.0542      175.8  
1 1 1 18 28 38 o -1.462000      1.161000      144.3218      36.2   
1 1 1 18 28 39 o 6.137000       1.342000      256.2969      -24.7  
1 1 1 18 28 40 o 0.5410000      1.436000      254.3593      -123.2 
1 1 1 18 28 41 o 0.6943000      1.370000      252.0477      -65.9  
1 1 1 18 28 42 o 1.256000       1.265000      195.6474      -125.3 
1 1 1 18 28 43 o 3.846000       1.282000      240.7680      65.7   
1 1 1 18 28 44 o 1.308000       1.283000      151.4779      172.5  
1 1 1 18 28 45 o 1.555000       1.275000      170.7109      72.2   
1 1 1 18 28 46 o 1.461000       1.281000      142.8301      -50.6  
1 1 1 18 28 47 o 10.46000       1.499000      403.8476      25.4   
1 1 1 18 28 48 f 3.644000       1.552000      ?             ?      
1 1 1 18 28 49 o 1.723000       1.318000      ?             ?      
1 1 1 18 28 50 o 5.777000       1.280000      ?             ?      
1 1 1 18 28 51 o 0.5865000      1.358000      ?             ?      
1 1 1 18 28 52 o 4.126000       1.375000      ?             ?      
1 1 1 18 28 53 o 0.6359000      1.357000      ?             ?      
1 1 1 18 28 54 o 2.325000       1.476000      ?             ?      
1 1 1 18 28 55 o 3.640000       1.476000      ?             ?      
1 1 1 18 28 56 o -0.3191000     1.290000      ?             ?      
1 1 1 18 28 57 o 1.936000       1.301000      ?             ?      
1 1 1 18 28 58 o -0.9897000     1.449000      ?             ?      
1 1 1 18 28 59 o -1.272000      1.468000      ?             ?      
1 1 1 18 28 60 o 1.667000       1.353000      ?             ?      
1 1 1 18 28 61 o 1.042000       1.303000      ?             ?      
1 1 1 18 28 62 o -1.456000      1.521000      ?             ?      
1 1 1 18 28 63 o -0.4471000     1.404000      ?             ?      
1 1 1 18 28 64 o -0.1125000     1.262000      ?             ?      
1 1 1 18 28 65 o 1.840000       1.277000      ?             ?      
1 1 1 18 29 0  o -0.3384000E-02 1.123000      310.2841      -0.0   
1 1 1 18 29 1  o 8.665000       0.8391000     314.8037      -41.9  
1 1 1 18 29 2  o 5.336000       0.8368000     380.1924      122.2  
1 1 1 18 29 3  o 1.388000       0.8128000     190.4604      6.7    
1 1 1 18 29 4  o 2.683000       0.8448000     279.8453      -109.7 
1 1 1 18 29 5  o 3.461000       0.9530000     217.1577      -115.3 
1 1 1 18 29 6  o -0.2295000     0.9992000     66.34335      179.9  
1 1 1 18 29 7  o 4.749000       0.9660000     170.6840      86.6   
1 1 1 18 29 8  o 5.062000       1.084000      383.3713      -13.9  
1 1 1 18 29 9  o 6.355000       1.097000      520.8254      -59.3  
1 1 1 18 29 10 o 1.688000       1.320000      102.4479      57.0   
1 1 1 18 29 11 o 3.535000       1.350000      157.2200      -177.8 
1 1 1 18 29 12 o 0.4162000      1.305000      199.0013      -36.8  
1 1 1 18 29 13 o 4.296000       1.024000      307.3915      95.6   
1 1 1 18 29 14 o -0.6935000     0.9892000     156.3193      -114.9 
1 1 1 18 29 15 o 1.196000       1.053000      195.2447      19.5   
1 1 1 18 29 16 o 2.622000       1.073000      310.4023      67.5   
1 1 1 18 29 17 o 0.7900000      1.074000      92.02670      36.5   
1 1 1 18 29 18 o 4.157000       1.074000      138.8091      -59.8  
1 1 1 18 29 19 o -0.9332000E-01 1.025000      203.8200      -150.7 
1 1 1 18 29 20 o 5.119000       1.039000      246.3743      49.3   
1 1 1 18 29 21 o -1.181000      1.003000      82.80989      100.1  
1 1 1 18 29 22 o 1.012000       1.006000      193.8682      -54.8  
1 1 1 18 29 23 o -1.042000      1.006000      77.17164      -146.9 
1 1 1 18 29 24 o 2.841000       1.075000      113.8631      -82.5  
1 1 1 18 29 25 o 3.058000       0.9755000     87.11490      163.8  
1 1 1 18 29 26 o 4.889000       0.9850000     327.5660      -162.7 
1 1 1 18 29 27 o 0.5953000      0.9305000     109.1824      -129.9 
1 1 1 18 29 28 o 0.4801000      0.9421000     51.86705      34.2   
1 1 1 18 29 29 o 4.287000       1.048000      236.6989      5.1    
1 1 1 18 29 30 o 5.021000       1.090000      213.3212      -178.1 
1 1 1 18 29 31 o 1.521000       1.038000      127.5521      139.1  
1 1 1 18 29 32 o 0.2569000E-01  1.204000      55.19707      171.2  
1 1 1 18 29 33 o 5.139000       1.342000      318.4152      102.9  
1 1 1 18 29 34 o 1.399000       1.351000      228.5049      16.1   
1 1 1 18 29 35 o 2.688000       1.162000      180.1860      79.3   
1 1 1 18 29 36 o 1.178000       1.073000      142.3671      -37.8  
1 1 1 18 29 37 o -1.373000      1.171000      72.80380      -86.7  
1 1 1 18 29 38 o -0.9479000     1.201000      102.3454      -145.7 
1 1 1 18 29 39 o 0.3461000E-01  1.330000      138.8505      -151.1 
1 1 1 18 29 40 o 1.831000       1.351000      151.9143      -66.0  
1 1 1 18 29 41 o 6.178000       1.520000      375.2434      -13.4  
1 1 1 18 29 42 o 5.374000       1.427000      318.4129      -94.5  
1 1 1 18 29 43 o 2.822000       1.275000      183.5601      -62.7  
1 1 1 18 29 44 o 4.514000       1.293000      352.9239      48.3   
1 1 1 18 29 45 o 7.501000       1.313000      313.5378      -98.4  
1 1 1 18 29 46 o 0.7168000      1.323000      143.4553      -133.0 
1 1 1 18 29 47 o 2.908000       1.500000      ?             ?      
1 1 1 18 29 48 o -0.8410000     1.393000      ?             ?      
1 1 1 18 29 49 o 9.188000       1.459000      ?             ?      
1 1 1 18 29 50 o -1.671000      1.358000      ?             ?      
1 1 1 18 29 51 o 4.408000       1.398000      ?             ?      
1 1 1 18 29 52 o 2.091000       1.377000      ?             ?      
1 1 1 18 29 53 o 1.700000       1.214000      ?             ?      
1 1 1 18 29 54 o 0.3795000      1.289000      ?             ?      
1 1 1 18 29 55 o -0.2555000     1.407000      ?             ?      
1 1 1 18 29 56 o 0.9791000      1.411000      ?             ?      
1 1 1 18 29 57 o 0.8593000E-01  1.289000      ?             ?      
1 1 1 18 29 58 o 1.011000       1.192000      ?             ?      
1 1 1 18 29 59 o 1.910000       1.360000      ?             ?      
1 1 1 18 29 60 o -1.296000      1.472000      ?             ?      
1 1 1 18 29 61 o 0.2014000      1.557000      ?             ?      
1 1 1 18 29 62 o 2.287000       1.411000      ?             ?      
1 1 1 18 29 63 o -1.194000      1.300000      ?             ?      
1 1 1 18 29 64 o 0.1969000      1.284000      ?             ?      
1 1 1 18 29 65 o 1.237000       1.293000      ?             ?      
1 1 1 18 30 0  o -0.3388000     1.135000      39.37739      -180.0 
1 1 1 18 30 1  o 3.880000       0.8320000     297.4293      -153.4 
1 1 1 18 30 2  o 7.423000       0.9364000     368.0452      74.8   
1 1 1 18 30 3  o 0.3585000      0.8172000     104.7445      -138.2 
1 1 1 18 30 4  f -0.6450000E-01 0.8895000     123.7279      -59.9  
1 1 1 18 30 5  o 0.1729000      0.9186000     91.04350      -158.7 
1 1 1 18 30 6  o 1.519000       1.009000      167.9897      53.3   
1 1 1 18 30 7  o 0.6072000      0.9454000     228.6713      151.6  
1 1 1 18 30 8  o -0.8853000     1.005000      115.6265      -66.5  
1 1 1 18 30 9  o 7.198000       1.091000      317.9323      -140.4 
1 1 1 18 30 10 o -2.997000      1.266000      36.22810      -39.5  
1 1 1 18 30 11 o 2.612000       1.330000      287.4187      58.0   
1 1 1 18 30 12 o 1.483000       1.081000      76.90667      -58.1  
1 1 1 18 30 13 o 0.3249000      1.062000      121.1172      -58.1  
1 1 1 18 30 14 o -1.443000      0.9785000     53.68778      172.3  
1 1 1 18 30 15 o 0.6767000E-01  1.063000      176.0053      -176.9 
1 1 1 18 30 16 o 1.892000       1.058000      145.9277      -14.3  
1 1 1 18 30 17 o -1.421000      1.075000      119.8842      -156.2 
1 1 1 18 30 18 o 2.142000       1.102000      70.07219      -174.3 
1 1 1 18 30 19 o 5.491000       1.100000      257.8206      44.4   
1 1 1 18 30 20 o 3.186000       1.034000      121.7132      -103.9 
1 1 1 18 30 21 o 4.794000       1.049000      310.3354      -171.2 
1 1 1 18 30 22 o 3.043000       1.020000      216.3691      49.8   
1 1 1 18 30 23 o 1.830000       1.026000      121.5269      -91.8  
1 1 1 18 30 24 o 2.814000       1.042000      236.3906      3.8    
1 1 1 18 30 25 o 1.801000       1.085000      43.00092      57.7   
1 1 1 18 30 26 o 2.991000       0.9154000     139.9013      -127.9 
1 1 1 18 30 27 o 0.5492000      0.9097000     57.34359      75.6   
1 1 1 18 30 28 o 1.245000       0.9393000     182.0242      3.1    
1 1 1 18 30 29 o -0.4624000     1.016000      73.59723      -134.5 
1 1 1 18 30 30 o 2.808000       1.072000      228.5359      151.8  
1 1 1 18 30 31 o 1.819000       0.9627000     82.79861      -104.7 
1 1 1 18 30 32 o 1.541000       1.181000      130.4003      -33.7  
1 1 1 18 30 33 o 2.180000       1.236000      216.8088      -5.1   
1 1 1 18 30 34 o 1.453000       1.228000      151.1923      93.5   
1 1 1 18 30 35 o 1.323000       1.087000      145.3130      11.5   
1 1 1 18 30 36 o -0.1878000     1.154000      96.11230      -131.1 
1 1 1 18 30 37 o 3.081000       1.165000      253.4661      23.8   
1 1 1 18 30 38 o 2.285000       1.226000      72.17939      -45.7  
1 1 1 18 30 39 o 0.3947000      1.189000      137.0224      -35.6  
1 1 1 18 30 40 o 4.757000       1.490000      258.0786      -3.9   
1 1 1 18 30 41 o 1.221000       1.599000      207.4020      25.4   
1 1 1 18 30 42 o -0.4681000     1.383000      141.9507      132.2  
1 1 1 18 30 43 o 4.405000       1.397000      279.9105      -6.4   
1 1 1 18 30 44 o 3.924000       1.277000      206.7608      122.7  
1 1 1 18 30 45 o 2.730000       1.315000      181.3600      147.4  
1 1 1 18 30 46 o -0.8144000     1.513000      ?             ?      
1 1 1 18 30 47 o 4.672000       1.737000      ?             ?      
1 1 1 18 30 48 o 3.964000       1.349000      ?             ?      
1 1 1 18 30 49 o -0.6138000     1.358000      ?             ?      
1 1 1 18 30 50 o 0.9826000      1.341000      ?             ?      
1 1 1 18 30 51 o -0.4604000E-01 1.196000      ?             ?      
1 1 1 18 30 52 o 0.9912000      1.310000      ?             ?      
1 1 1 18 30 53 o -0.4556000     1.285000      ?             ?      
1 1 1 18 30 54 o -0.7105000     1.321000      ?             ?      
1 1 1 18 30 55 o -1.064000      1.304000      ?             ?      
1 1 1 18 30 56 o 0.6804000      1.401000      ?             ?      
1 1 1 18 30 57 o -0.9182000     1.274000      ?             ?      
1 1 1 18 30 58 o 0.3147000      1.191000      ?             ?      
1 1 1 18 30 59 o -0.2319000E-01 1.225000      ?             ?      
1 1 1 18 30 60 o 1.125000       1.434000      ?             ?      
1 1 1 18 30 61 o 1.971000       1.702000      ?             ?      
1 1 1 18 30 62 o 2.854000       1.411000      ?             ?      
1 1 1 18 30 63 o 0.3114000      1.256000      ?             ?      
1 1 1 18 30 64 o 0.3879000      1.265000      ?             ?      
1 1 1 18 31 0  o 0.7468000      1.136000      43.80872      -0.0   
1 1 1 18 31 1  o -0.3749000     0.8076000     139.2132      46.1   
1 1 1 18 31 2  o 1.733000       0.8164000     132.8305      164.6  
1 1 1 18 31 3  o 0.4715000      0.8845000     44.26192      -43.3  
1 1 1 18 31 4  o 0.6220000      0.8911000     62.42432      -95.5  
1 1 1 18 31 5  o -0.7753000     0.9610000     139.7538      -89.9  
1 1 1 18 31 6  o 0.6257000      0.9227000     35.19272      159.6  
1 1 1 18 31 7  o 0.2346000      0.9377000     104.3344      4.6    
1 1 1 18 31 8  o 0.3052000      1.023000      162.6683      -4.1   
1 1 1 18 31 9  o -0.2859000     1.053000      62.28205      -42.1  
1 1 1 18 31 10 o -0.4338000     1.249000      70.47359      39.4   
1 1 1 18 31 11 o 0.1946000E-01  1.304000      41.68490      -155.2 
1 1 1 18 31 12 o 0.8724000      1.073000      58.02392      96.9   
1 1 1 18 31 13 o 0.9231000      1.058000      88.44851      -163.5 
1 1 1 18 31 14 o 0.8998000E-01  1.059000      55.92141      12.4   
1 1 1 18 31 15 o -0.5809000     0.9979000     25.69954      -127.1 
1 1 1 18 31 16 o 3.445000       1.103000      108.3080      -56.8  
1 1 1 18 31 17 o 3.044000       1.120000      75.92064      62.2   
1 1 1 18 31 18 o -0.5719000     1.061000      197.7565      130.7  
1 1 1 18 31 19 o -0.4182000     1.044000      68.20040      -47.5  
1 1 1 18 31 20 o 1.237000       1.037000      18.54794      82.4   
1 1 1 18 31 21 o 0.2832000      1.018000      109.6493      128.7  
1 1 1 18 31 22 o 1.944000       1.020000      211.3894      -29.9  
1 1 1 18 31 23 o 0.7203000      1.012000      171.6246      158.9  
1 1 1 18 31 24 o 2.537000       1.070000      139.2796      -178.1 
1 1 1 18 31 25 o 0.9456000      1.074000      102.6074      112.5  
1 1 1 18 31 26 o 1.672000       1.105000      144.5901      -178.1 
1 1 1 18 31 27 o 2.476000       0.9851000     110.6201      107.6  
1 1 1 18 31 28 o -0.9533000     1.008000      34.44276      -65.1  
1 1 1 18 31 29 o 0.6838000      0.9730000     41.04747      -67.3  
1 1 1 18 31 30 o -0.1379000     0.9577000     132.3487      -134.1 
1 1 1 18 31 31 o 0.9401000      0.9767000     35.67242      -85.3  
1 1 1 18 31 32 o 1.838000       1.152000      59.66916      130.4  
1 1 1 18 31 33 o -1.500000      1.162000      108.3456      36.4   
1 1 1 18 31 34 o 0.5649000      1.234000      111.4995      67.6   
1 1 1 18 31 35 o 6.309000       1.377000      122.8601      -64.8  
1 1 1 18 31 36 o 2.632000       1.162000      103.1090      88.2   
1 1 1 18 31 37 o -0.1543000     1.053000      89.06852      121.8  
1 1 1 18 31 38 o 0.6703000      1.070000      71.18131      -165.0 
1 1 1 18 31 39 o 0.3702000      1.150000      82.23795      -17.0  
1 1 1 18 31 40 o 3.193000       1.261000      137.1837      87.1   
1 1 1 18 31 41 o 0.7849000E-01  1.378000      102.5987      155.2  
1 1 1 18 31 42 o 1.695000       1.473000      157.5443      -127.9 
1 1 1 18 31 43 o -0.6096000     1.418000      101.8014      -26.0  
1 1 1 18 31 44 o -2.015000      1.301000      27.41067      116.4  
1 1 1 18 31 45 o 3.217000       1.526000      ?             ?      
1 1 1 18 31 46 o 0.2374000      1.489000      ?             ?      
1 1 1 18 31 47 o -1.248000      1.410000      ?             ?      
1 1 1 18 31 48 o -0.1681000     1.208000      ?             ?      
1 1 1 18 31 49 o -0.3959000     1.201000      ?             ?      
1 1 1 18 31 50 o -0.4946000     1.293000      ?             ?      
1 1 1 18 31 51 o -1.287000      1.282000      ?             ?      
1 1 1 18 31 52 o 3.564000       1.342000      ?             ?      
1 1 1 18 31 53 o -0.5294000     1.165000      ?             ?      
1 1 1 18 31 54 o 0.1614000      1.161000      ?             ?      
1 1 1 18 31 55 o -0.2616000     1.176000      ?             ?      
1 1 1 18 31 56 o 0.7464000      1.323000      ?             ?      
1 1 1 18 31 57 o 1.569000       1.417000      ?             ?      
1 1 1 18 31 58 o -1.410000      1.520000      ?             ?      
1 1 1 18 31 59 o -0.9984000     1.206000      ?             ?      
1 1 1 18 31 60 o 1.564000       1.588000      ?             ?      
1 1 1 18 31 61 o 2.184000       1.789000      ?             ?      
1 1 1 18 31 62 o -0.6327000     1.502000      ?             ?      
1 1 1 18 31 63 o 1.829000       1.253000      ?             ?      
1 1 1 18 31 64 < 0.000000       -1.000000     ?             ?      
1 1 1 18 32 0  o -0.1166000     1.129000      114.5102      -180.0 
1 1 1 18 32 1  o 0.4124000      0.8078000     36.14240      96.8   
1 1 1 18 32 2  o -0.9181000     0.8070000     100.1099      78.8   
1 1 1 18 32 3  o -1.167000      0.8789000     28.08712      20.9   
1 1 1 18 32 4  o 0.1361000      0.9779000     34.79451      -2.0   
1 1 1 18 32 5  o 1.771000       0.9726000     35.26361      -0.1   
1 1 1 18 32 6  o 0.7891000      0.9091000     83.19559      -170.2 
1 1 1 18 32 7  o -0.1682000     0.8525000     137.9011      114.0  
1 1 1 18 32 8  o 0.2097000      1.025000      35.54009      19.1   
1 1 1 18 32 9  o 2.710000       1.236000      120.4558      -178.0 
1 1 1 18 32 10 o 0.4713000      1.243000      113.2073      145.9  
1 1 1 18 32 11 o 0.8712000      1.057000      111.0088      10.3   
1 1 1 18 32 12 o -0.1757000     1.063000      33.86091      119.8  
1 1 1 18 32 13 o 0.7201000      1.046000      29.04473      -125.5 
1 1 1 18 32 14 o 0.2777000E-01  1.043000      48.64098      -151.9 
1 1 1 18 32 15 o 2.536000       1.109000      22.44837      166.6  
1 1 1 18 32 16 o 0.4324000      1.079000      89.49055      22.5   
1 1 1 18 32 17 o 0.7290000      1.061000      145.8661      158.5  
1 1 1 18 32 18 o 0.5181000      1.038000      68.56110      129.6  
1 1 1 18 32 19 o 1.350000       1.052000      74.03092      -86.2  
1 1 1 18 32 20 o 1.627000       1.045000      123.1901      145.5  
1 1 1 18 32 21 o 0.6176000E-02  0.9994000     76.78970      -101.7 
1 1 1 18 32 22 o -1.075000      0.9681000     60.51911      73.5   
1 1 1 18 32 23 o 2.757000       0.9836000     40.46316      39.4   
1 1 1 18 32 24 o -2.243000      1.027000      56.51322      -30.8  
1 1 1 18 32 25 o 1.405000       1.104000      141.9994      -92.7  
1 1 1 18 32 26 o -1.699000      1.080000      28.08411      108.9  
1 1 1 18 32 27 o 0.1828000      1.229000      9.037293      151.4  
1 1 1 18 32 28 o 0.5929000E-01  0.9830000     102.9859      -170.5 
1 1 1 18 32 29 o 1.599000       1.055000      17.09649      169.9  
1 1 1 18 32 30 o 1.568000       0.9675000     46.57911      65.9   
1 1 1 18 32 31 o 1.956000       0.9421000     120.8062      -13.2  
1 1 1 18 32 32 o 1.117000       0.9681000     193.2934      89.3   
1 1 1 18 32 33 o -0.7675000E-01 1.119000      105.4467      -98.6  
1 1 1 18 32 34 o -0.5669000     1.140000      148.2002      67.5   
1 1 1 18 32 35 o -2.289000      1.348000      76.06805      -77.7  
1 1 1 18 32 36 o -0.6477000     1.219000      56.13535      -21.5  
1 1 1 18 32 37 o -1.255000      1.120000      54.33338      -123.5 
1 1 1 18 32 38 o 0.1328000      1.098000      24.59205      -43.1  
1 1 1 18 32 39 o 1.212000       1.126000      63.92489      -76.8  
1 1 1 18 32 40 o 1.009000       1.183000      47.92655      -29.7  
1 1 1 18 32 41 o 0.9636000      1.348000      60.51814      42.3   
1 1 1 18 32 42 o 3.007000       1.377000      76.34915      71.3   
1 1 1 18 32 43 o 0.7410000      1.548000      55.48244      127.6  
1 1 1 18 32 44 o -0.2912000     1.606000      ?             ?      
1 1 1 18 32 45 o -0.3692000     1.842000      ?             ?      
1 1 1 18 32 46 o 0.6315000E-01  1.430000      ?             ?      
1 1 1 18 32 47 o -1.386000      1.277000      ?             ?      
1 1 1 18 32 48 o 0.9907000      1.405000      ?             ?      
1 1 1 18 32 49 o 2.178000       1.293000      ?             ?      
1 1 1 18 32 50 o -2.341000      1.291000      ?             ?      
1 1 1 18 32 51 o 1.497000       1.172000      ?             ?      
1 1 1 18 32 52 o -0.6002000     1.158000      ?             ?      
1 1 1 18 32 53 o 0.1881000      1.146000      ?             ?      
1 1 1 18 32 54 o -0.9468000     1.143000      ?             ?      
1 1 1 18 32 55 o 0.5436000      1.167000      ?             ?      
1 1 1 18 32 56 o 0.5470000      1.319000      ?             ?      
1 1 1 18 32 57 o -0.8144000E-01 1.423000      ?             ?      
1 1 1 18 32 58 o 1.063000       1.307000      ?             ?      
1 1 1 18 32 59 o 0.5092000      1.271000      ?             ?      
1 1 1 18 32 60 o -1.376000      1.540000      ?             ?      
1 1 1 18 32 61 o 0.9113000      1.613000      ?             ?      
1 1 1 18 32 62 o -0.8134000     1.467000      ?             ?      
1 1 1 18 32 63 o 0.4430000      2.093000      ?             ?      
1 1 1 18 33 0  o 1.332000       1.163000      50.49305      0.0    
1 1 1 18 33 1  o 0.3862000      0.8104000     90.32997      -157.8 
1 1 1 18 33 2  o 1.598000       0.8805000     48.35846      -67.9  
1 1 1 18 33 3  o 0.3205000E-01  0.8762000     61.73592      123.3  
1 1 1 18 33 4  o -0.7582000     0.9844000     86.73568      -48.2  
1 1 1 18 33 5  o 0.5538000      0.9136000     73.04297      29.4   
1 1 1 18 33 6  o 0.4613000      0.9072000     106.5542      -6.6   
1 1 1 18 33 7  o 1.264000       0.8818000     157.2053      111.4  
1 1 1 18 33 8  o -0.3059000     1.034000      106.8084      -132.9 
1 1 1 18 33 9  o -1.767000      1.189000      150.7187      6.6    
1 1 1 18 33 10 o -1.890000      1.223000      20.00967      75.8   
1 1 1 18 33 11 o -0.3605000     1.019000      173.6585      -73.7  
1 1 1 18 33 12 o 0.7709000      1.048000      66.10199      101.7  
1 1 1 18 33 13 o -0.4830000     1.045000      4.303920      34.6   
1 1 1 18 33 14 o 0.2377000      1.044000      50.83053      172.6  
1 1 1 18 33 15 o -1.001000      1.041000      66.05304      -34.1  
1 1 1 18 33 16 o -1.712000      1.507000      90.55734      -63.0  
1 1 1 18 33 17 o -0.5628000     1.018000      114.0958      -150.0 
1 1 1 18 33 18 o 0.5161000      1.026000      105.8449      31.1   
1 1 1 18 33 19 o 0.1595000      1.019000      87.46314      28.2   
1 1 1 18 33 20 o -1.416000      1.005000      90.19313      -16.0  
1 1 1 18 33 21 o -0.5810000E-01 1.013000      155.9552      -98.1  
1 1 1 18 33 22 o -0.2128000     0.9934000     128.4884      136.1  
1 1 1 18 33 23 o 0.7294000      1.023000      86.71633      65.1   
1 1 1 18 33 24 o 1.288000       1.041000      64.86687      91.8   
1 1 1 18 33 25 o 1.187000       1.054000      47.21697      86.6   
1 1 1 18 33 26 o -0.5139000     1.184000      111.5432      -22.8  
1 1 1 18 33 27 o 0.9272000      1.150000      88.20298      -2.2   
1 1 1 18 33 28 o 0.3140000      1.132000      41.88618      -5.7   
1 1 1 18 33 29 o 0.2752000      0.9948000     105.5942      -76.6  
1 1 1 18 33 30 o -0.9550000     1.000000      60.89558      155.7  
1 1 1 18 33 31 o 0.8300000      0.9454000     122.8765      -136.5 
1 1 1 18 33 32 o 0.1830000      0.9692000     56.36628      53.8   
1 1 1 18 33 33 o -1.323000      1.150000      89.52655      87.4   
1 1 1 18 33 34 o -0.4834000     1.160000      45.81223      9.6    
1 1 1 18 33 35 o 0.8902000      1.244000      57.44568      -37.4  
1 1 1 18 33 36 o -0.3427000     1.278000      75.76881      -109.7 
1 1 1 18 33 37 o 0.8025000      1.149000      93.82607      163.4  
1 1 1 18 33 38 o 1.065000       1.154000      110.2659      -48.5  
1 1 1 18 33 39 o 0.8972000      1.170000      66.04747      -126.3 
1 1 1 18 33 40 o 6.172000       1.291000      255.3542      -135.1 
1 1 1 18 33 41 o 0.1165000      1.308000      27.12149      6.5    
1 1 1 18 33 42 o 0.7114000      1.423000      123.4858      43.0   
1 1 1 18 33 43 o 2.308000       1.380000      ?             ?      
1 1 1 18 33 44 o -0.1894000     1.431000      ?             ?      
1 1 1 18 33 45 o 0.7505000      1.486000      ?             ?      
1 1 1 18 33 46 o 0.2765000      1.321000      ?             ?      
1 1 1 18 33 47 o 0.5055000      1.392000      ?             ?      
1 1 1 18 33 48 o 1.797000       1.279000      ?             ?      
1 1 1 18 33 49 o 0.2327000      1.206000      ?             ?      
1 1 1 18 33 50 o -0.8401000     1.215000      ?             ?      
1 1 1 18 33 51 o 0.2519000      1.219000      ?             ?      
1 1 1 18 33 52 o 1.063000       1.152000      ?             ?      
1 1 1 18 33 53 o -0.5815000     1.137000      ?             ?      
1 1 1 18 33 54 o 1.223000       1.146000      ?             ?      
1 1 1 18 33 55 o 1.014000       1.159000      ?             ?      
1 1 1 18 33 56 o -0.7425000     1.185000      ?             ?      
1 1 1 18 33 57 o -1.469000      1.351000      ?             ?      
1 1 1 18 33 58 o 1.849000       1.454000      ?             ?      
1 1 1 18 33 59 o 1.322000       1.521000      ?             ?      
1 1 1 18 33 60 o 1.158000       1.406000      ?             ?      
1 1 1 18 33 61 o -0.9445000E-01 1.401000      ?             ?      
1 1 1 18 33 62 o -0.4438000     1.494000      ?             ?      
1 1 1 18 34 0  o 2.577000       1.190000      33.23513      0.0    
1 1 1 18 34 1  o 1.897000       0.9374000     70.02557      -11.2  
1 1 1 18 34 2  o -0.1411000E-01 0.8830000     60.05698      -136.7 
1 1 1 18 34 3  o -0.4149000     0.9585000     100.5894      52.1   
1 1 1 18 34 4  o -2.017000      0.9269000     34.60509      -9.2   
1 1 1 18 34 5  o 1.578000       0.9071000     129.3855      135.1  
1 1 1 18 34 6  o -0.1086000     0.8520000     77.61266      40.5   
1 1 1 18 34 7  o -0.2861000     0.8895000     75.63440      -53.3  
1 1 1 18 34 8  o 1.649000       0.9768000     264.6407      167.3  
1 1 1 18 34 9  o -1.069000      1.170000      117.6125      173.0  
1 1 1 18 34 10 o -2.629000      1.012000      53.57830      32.8   
1 1 1 18 34 11 o -0.1005000     1.020000      98.63226      124.7  
1 1 1 18 34 12 o 5.285000       1.125000      313.4958      -40.7  
1 1 1 18 34 13 o 1.844000       1.082000      253.2850      -118.2 
1 1 1 18 34 14 o 0.7671000      1.058000      287.0874      121.2  
1 1 1 18 34 15 o -0.8122000     1.027000      127.3800      -124.3 
1 1 1 18 34 16 o -2.688000      1.113000      111.9760      -26.8  
1 1 1 18 34 17 o 0.1631000      1.145000      78.28323      179.4  
1 1 1 18 34 18 o 0.3269000      1.029000      85.55613      -100.3 
1 1 1 18 34 19 o 1.578000       1.021000      42.60527      -70.7  
1 1 1 18 34 20 o 2.911000       1.030000      170.5357      68.5   
1 1 1 18 34 21 o 1.119000       1.024000      46.91616      147.9  
1 1 1 18 34 22 o 2.102000       1.045000      112.9308      167.8  
1 1 1 18 34 23 o 0.8953000      1.025000      203.9517      147.5  
1 1 1 18 34 24 o 1.684000       1.029000      98.31832      -6.9   
1 1 1 18 34 25 o 0.8504000      1.127000      76.30804      86.5   
1 1 1 18 34 26 o -1.222000      0.9454000     116.3117      49.7   
1 1 1 18 34 27 o -0.8897000E-01 1.055000      78.55202      -4.3   
1 1 1 18 34 28 o 0.3013000      1.199000      156.9335      -0.2   
1 1 1 18 34 29 o -1.050000      1.192000      120.4470      -71.4  
1 1 1 18 34 30 o 1.095000       0.9352000     143.0817      27.2   
1 1 1 18 34 31 o 2.226000       0.9689000     261.0352      137.8  
1 1 1 18 34 32 o 0.5925000      0.9637000     51.11629      122.6  
1 1 1 18 34 33 o 0.1725000      1.007000      40.54883      -53.8  
1 1 1 18 34 34 o 2.227000       1.180000      160.2191      70.1   
1 1 1 18 34 35 o 7.090000       1.257000      337.0744      0.8    
1 1 1 18 34 36 o -0.3244000     1.247000      137.4388      79.5   
1 1 1 18 34 37 o -0.3176000     1.151000      14.48932      64.2   
1 1 1 18 34 38 o 2.092000       1.317000      124.9320      -39.5  
1 1 1 18 34 39 o 5.288000       1.349000      279.9727      -32.3  
1 1 1 18 34 40 o -2.394000      1.314000      122.1406      141.2  
1 1 1 18 34 41 o 1.890000       1.343000      220.4792      53.9   
1 1 1 18 34 42 o 1.687000       1.180000      ?             ?      
1 1 1 18 34 43 o -1.811000      1.333000      ?             ?      
1 1 1 18 34 44 o 1.252000       2.216000      ?             ?      
1 1 1 18 34 45 o -3.024000      2.143000      ?             ?      
1 1 1 18 34 46 o 2.958000       1.616000      ?             ?      
1 1 1 18 34 47 o 0.1421000      1.144000      ?             ?      
1 1 1 18 34 48 o 1.338000       1.143000      ?             ?      
1 1 1 18 34 49 o -1.527000      1.169000      ?             ?      
1 1 1 18 34 50 o -1.203000      1.160000      ?             ?      
1 1 1 18 34 51 o -2.095000      1.131000      ?             ?      
1 1 1 18 34 52 o 2.743000       1.154000      ?             ?      
1 1 1 18 34 53 o 1.437000       1.231000      ?             ?      
1 1 1 18 34 54 o 0.9503000      1.221000      ?             ?      
1 1 1 18 34 55 o 1.643000       1.155000      ?             ?      
1 1 1 18 34 56 o -0.4386000E-01 1.168000      ?             ?      
1 1 1 18 34 57 o 1.072000       1.350000      ?             ?      
1 1 1 18 34 58 o -2.117000      1.554000      ?             ?      
1 1 1 18 34 59 o 4.508000       1.848000      ?             ?      
1 1 1 18 34 60 o -0.6946000     1.376000      ?             ?      
1 1 1 18 34 61 o 1.628000       1.225000      ?             ?      
1 1 1 18 35 0  o 0.5196000      1.175000      14.28313      -0.0   
1 1 1 18 35 1  o 2.085000       0.8974000     183.8543      -131.1 
1 1 1 18 35 2  o 0.1867000      0.8851000     53.22826      -86.5  
1 1 1 18 35 3  o 0.2458000      0.9589000     37.96223      120.7  
1 1 1 18 35 4  o -0.9473000     0.9501000     27.69551      82.6   
1 1 1 18 35 5  o 0.8256000      0.8528000     75.75361      -171.9 
1 1 1 18 35 6  o 1.073000       0.8779000     118.6152      170.5  
1 1 1 18 35 7  o 2.012000       0.9194000     193.2303      68.5   
1 1 1 18 35 8  o 1.083000       0.9746000     191.4349      151.6  
1 1 1 18 35 9  o -0.4266000     1.167000      60.93526      147.5  
1 1 1 18 35 10 o 0.8634000      0.9904000     137.8106      -49.4  
1 1 1 18 35 11 o 1.126000       1.014000      288.2910      -4.6   
1 1 1 18 35 12 o 0.1258000      1.069000      50.76564      133.9  
1 1 1 18 35 13 o 7.218000       1.114000      440.1028      20.1   
1 1 1 18 35 14 o 4.363000       1.048000      214.8844      -111.9 
1 1 1 18 35 15 o 1.905000       1.027000      81.85855      99.7   
1 1 1 18 35 16 o 0.3786000      1.143000      127.9422      78.6   
1 1 1 18 35 17 o 5.073000       1.203000      431.8488      95.9   
1 1 1 18 35 18 o 3.395000       1.200000      280.1379      66.4   
1 1 1 18 35 19 o -1.197000      1.022000      82.31411      125.1  
1 1 1 18 35 20 o 2.454000       1.052000      193.1339      -20.4  
1 1 1 18 35 21 o 5.471000       1.090000      235.1810      -41.5  
1 1 1 18 35 22 o 0.3845000      1.045000      53.33852      82.2   
1 1 1 18 35 23 o -0.4060000     1.053000      112.9144      -18.2  
1 1 1 18 35 24 o 0.2662000      1.066000      246.3104      153.5  
1 1 1 18 35 25 o 3.187000       1.202000      173.7378      37.7   
1 1 1 18 35 26 o 1.364000       1.203000      134.4726      32.9   
1 1 1 18 35 27 o 2.709000       1.115000      294.1706      51.9   
1 1 1 18 35 28 o -0.9509000     1.247000      48.66079      17.1   
1 1 1 18 35 29 o 2.273000       1.267000      118.8967      46.3   
1 1 1 18 35 30 o 2.492000       1.120000      133.0504      -71.9  
1 1 1 18 35 31 o 1.821000       0.9563000     104.6876      -125.8 
1 1 1 18 35 32 o -0.5410000     0.9487000     130.4540      51.0   
1 1 1 18 35 33 o -0.6330000     0.9791000     160.3911      96.5   
1 1 1 18 35 34 o 3.123000       1.118000      147.8093      79.4   
1 1 1 18 35 35 o -0.6605000     1.147000      136.2957      160.7  
1 1 1 18 35 36 o 0.8242000      1.769000      198.5445      82.9   
1 1 1 18 35 37 o 0.2488000      1.378000      133.9960      -72.4  
1 1 1 18 35 38 o -1.441000      1.361000      114.5132      0.8    
1 1 1 18 35 39 o 1.354000       1.131000      191.0707      173.6  
1 1 1 18 35 40 o -0.3825000     1.110000      99.59064      94.3   
1 1 1 18 35 41 o 2.728000       1.179000      ?             ?      
1 1 1 18 35 42 o 1.414000       1.179000      ?             ?      
1 1 1 18 35 43 o -0.8476000     1.329000      ?             ?      
1 1 1 18 35 44 o -0.1152000     1.844000      ?             ?      
1 1 1 18 35 45 o 2.931000       1.662000      ?             ?      
1 1 1 18 35 46 o 2.254000       1.300000      ?             ?      
1 1 1 18 35 47 o 0.7631000      1.634000      ?             ?      
1 1 1 18 35 48 o 0.2773000      1.161000      ?             ?      
1 1 1 18 35 49 o 0.6861000      1.157000      ?             ?      
1 1 1 18 35 50 o -0.9130000     1.111000      ?             ?      
1 1 1 18 35 51 o 1.282000       1.134000      ?             ?      
1 1 1 18 35 52 o -0.9565000E-01 1.174000      ?             ?      
1 1 1 18 35 53 o -0.1839000     1.171000      ?             ?      
1 1 1 18 35 54 o 2.407000       1.202000      ?             ?      
1 1 1 18 35 55 o 0.8819000      1.153000      ?             ?      
1 1 1 18 35 56 o -2.214000      1.246000      ?             ?      
1 1 1 18 35 57 o 2.076000       1.282000      ?             ?      
1 1 1 18 35 58 o 0.1626000      1.527000      ?             ?      
1 1 1 18 35 59 o -0.7736000     2.374000      ?             ?      
1 1 1 18 35 60 o 0.5711000      1.379000      ?             ?      
1 1 1 18 35 61 o 0.6806000      1.235000      ?             ?      
1 1 1 18 36 0  o 2.964000       1.392000      113.4678      -0.0   
1 1 1 18 36 1  f 8.095000       0.9623000     377.0715      -4.3   
1 1 1 18 36 2  o 2.494000       0.9771000     154.1287      -140.2 
1 1 1 18 36 3  o 3.381000       0.9499000     189.2034      114.8  
1 1 1 18 36 4  o 7.920000       1.006000      384.8779      -75.3  
1 1 1 18 36 5  o 5.517000       0.8900000     242.6702      -112.5 
1 1 1 18 36 6  f 4.332000       0.9207000     261.6365      161.4  
1 1 1 18 36 7  o 4.332000       0.9982000     381.8442      -154.4 
1 1 1 18 36 8  o 2.418000       0.9455000     221.7164      130.7  
1 1 1 18 36 9  o 1.222000       1.195000      155.4669      -1.1   
1 1 1 18 36 10 o 5.774000       1.030000      161.3733      125.2  
1 1 1 18 36 11 o 4.466000       1.019000      311.8086      -112.6 
1 1 1 18 36 12 o -0.3253000     0.9967000     24.85143      -134.5 
1 1 1 18 36 13 o 2.142000       1.216000      147.4649      57.5   
1 1 1 18 36 14 o 0.5296000      1.004000      149.5598      117.3  
1 1 1 18 36 15 o 3.353000       1.023000      295.3192      -97.2  
1 1 1 18 36 16 o 0.6159000      1.172000      80.39580      113.8  
1 1 1 18 36 17 o 0.9616000E-02  1.176000      33.95243      134.5  
1 1 1 18 36 18 o 4.384000       1.203000      277.8925      149.2  
1 1 1 18 36 19 o 2.413000       1.218000      128.6046      113.9  
1 1 1 18 36 20 o 1.655000       1.072000      222.0256      151.5  
1 1 1 18 36 21 o -0.1365000     1.062000      57.10004      177.5  
1 1 1 18 36 22 o -0.1032000     1.085000      112.3773      -118.3 
1 1 1 18 36 23 o 6.186000       1.158000      367.6220      175.0  
1 1 1 18 36 24 o 6.741000       1.365000      367.7074      144.6  
1 1 1 18 36 25 o -0.4102000     1.295000      54.59696      153.6  
1 1 1 18 36 26 o -0.3079000     1.137000      68.20387      -109.7 
1 1 1 18 36 27 o 0.5144000E-01  1.291000      67.15559      -91.0  
1 1 1 18 36 28 o 1.043000       1.296000      145.2549      137.0  
1 1 1 18 36 29 o 9.205000       1.233000      372.5639      -2.8   
1 1 1 18 36 30 o -1.236000      1.142000      192.1540      -10.3  
1 1 1 18 36 31 o 2.678000       1.173000      264.0687      144.6  
1 1 1 18 36 32 o 1.987000       0.9780000     255.3132      129.7  
1 1 1 18 36 33 o 1.415000       1.242000      101.6424      -158.9 
1 1 1 18 36 34 o 5.135000       1.321000      301.5142      75.4   
1 1 1 18 36 35 o -0.4667000     1.183000      85.05170      -38.0  
1 1 1 18 36 36 o 10.36000       1.375000      374.5467      76.8   
1 1 1 18 36 37 o 0.7953000      1.288000      52.69502      -144.1 
1 1 1 18 36 38 o -1.702000      1.151000      108.2403      -84.9  
1 1 1 18 36 39 o 0.4672000      1.154000      127.7945      42.1   
1 1 1 18 36 40 o 4.051000       1.213000      ?             ?      
1 1 1 18 36 41 o 0.3274000E-01  1.219000      ?             ?      
1 1 1 18 36 42 o 0.8534000      1.101000      ?             ?      
1 1 1 18 36 43 o 0.3479000      1.199000      ?             ?      
1 1 1 18 36 44 o 0.6157000      1.445000      ?             ?      
1 1 1 18 36 45 o -0.2596000     1.213000      ?             ?      
1 1 1 18 36 46 o 2.611000       1.490000      ?             ?      
1 1 1 18 36 47 o 4.663000       1.340000      ?             ?      
1 1 1 18 36 48 o -0.9410000E-01 1.179000      ?             ?      
1 1 1 18 36 49 o 0.7910000E-01  1.103000      ?             ?      
1 1 1 18 36 50 o -0.3470000     1.112000      ?             ?      
1 1 1 18 36 51 o -0.1526000     1.148000      ?             ?      
1 1 1 18 36 52 o 1.942000       1.163000      ?             ?      
1 1 1 18 36 53 o -0.1295000     1.128000      ?             ?      
1 1 1 18 36 54 o -0.1335000     1.133000      ?             ?      
1 1 1 18 36 55 o -1.431000      1.199000      ?             ?      
1 1 1 18 36 56 o 1.081000       1.214000      ?             ?      
1 1 1 18 36 57 o 0.3582000      1.738000      ?             ?      
1 1 1 18 36 58 o 0.6116000      2.062000      ?             ?      
1 1 1 18 36 59 o -0.9969000     1.711000      ?             ?      
1 1 1 18 36 60 o -0.7735000E-01 1.674000      ?             ?      
1 1 1 18 37 0  o 1.499000       1.406000      39.26616      180.0  
1 1 1 18 37 1  o -0.9131000     0.9983000     116.3910      -74.0  
1 1 1 18 37 2  o 8.386000       1.020000      283.1645      63.7   
1 1 1 18 37 3  o 2.266000       0.9321000     108.0183      -164.2 
1 1 1 18 37 4  o 5.067000       0.8797000     325.8564      179.1  
1 1 1 18 37 5  o 7.654000       0.8718000     421.9180      -34.2  
1 1 1 18 37 6  o 6.695000       0.9470000     422.8364      -14.8  
1 1 1 18 37 7  o -1.241000      0.9331000     160.3155      121.2  
1 1 1 18 37 8  o 1.310000       0.9359000     196.5876      -17.3  
1 1 1 18 37 9  o 3.220000       1.049000      177.1207      -93.6  
1 1 1 18 37 10 o 3.953000       1.049000      183.8054      -112.7 
1 1 1 18 37 11 o 1.325000       0.9801000     86.52862      148.7  
1 1 1 18 37 12 o 10.86000       1.236000      468.4467      2.5    
1 1 1 18 37 13 o 4.629000       1.012000      351.9041      19.2   
1 1 1 18 37 14 o 0.5955000      1.001000      126.9533      -85.7  
1 1 1 18 37 15 o 2.154000       1.023000      181.0733      129.8  
1 1 1 18 37 16 o 0.7385000      1.194000      137.0925      129.5  
1 1 1 18 37 17 o 2.223000       1.221000      52.30090      108.8  
1 1 1 18 37 18 o 1.551000       1.224000      67.00598      16.7   
1 1 1 18 37 19 o -0.6119000E-01 1.228000      135.5366      162.0  
1 1 1 18 37 20 o 4.047000       1.266000      230.7225      -54.9  
1 1 1 18 37 21 o 3.507000       1.119000      267.6782      -115.9 
1 1 1 18 37 22 o -0.1499000     1.134000      51.78673      -172.7 
1 1 1 18 37 23 o 10.54000       1.241000      419.4390      -73.7  
1 1 1 18 37 24 o 1.744000       1.353000      104.6181      -175.4 
1 1 1 18 37 25 o -0.8214000     1.382000      29.53461      18.8   
1 1 1 18 37 26 o 3.587000       1.232000      306.0930      47.2   
1 1 1 18 37 27 o 0.7462000      1.361000      201.4621      80.9   
1 1 1 18 37 28 o -1.952000      1.354000      84.92701      124.0  
1 1 1 18 37 29 o 2.095000       1.201000      154.3536      82.8   
1 1 1 18 37 30 o 3.918000       1.238000      267.8112      -89.4  
1 1 1 18 37 31 o 0.5055000      1.213000      155.9112      170.4  
1 1 1 18 37 32 o 2.561000       1.217000      166.8221      128.2  
1 1 1 18 37 33 o 0.2240000      1.456000      58.77685      -154.2 
1 1 1 18 37 34 o 6.123000       1.156000      363.6304      54.6   
1 1 1 18 37 35 o 16.53000       1.317000      624.1696      147.8  
1 1 1 18 37 36 o 1.601000       1.166000      136.4897      -4.6   
1 1 1 18 37 37 o 2.528000       1.263000      161.5122      -164.3 
1 1 1 18 37 38 o 0.9859000      1.263000      ?             ?      
1 1 1 18 37 39 o 2.684000       1.265000      ?             ?      
1 1 1 18 37 40 o -0.5598000     1.052000      ?             ?      
1 1 1 18 37 41 o 1.249000       1.094000      ?             ?      
1 1 1 18 37 42 o 0.9417000      1.091000      ?             ?      
1 1 1 18 37 43 o 1.268000       1.151000      ?             ?      
1 1 1 18 37 44 o 3.863000       1.088000      ?             ?      
1 1 1 18 37 45 o 0.2489000      1.140000      ?             ?      
1 1 1 18 37 46 o -1.060000      1.134000      ?             ?      
1 1 1 18 37 47 o -0.4481000     1.328000      ?             ?      
1 1 1 18 37 48 o -0.5331000     1.201000      ?             ?      
1 1 1 18 37 49 o -0.7509000     1.075000      ?             ?      
1 1 1 18 37 50 o 2.146000       1.196000      ?             ?      
1 1 1 18 37 51 o 1.319000       1.191000      ?             ?      
1 1 1 18 37 52 o 0.9661000      1.211000      ?             ?      
1 1 1 18 37 53 o 0.3512000      1.132000      ?             ?      
1 1 1 18 37 54 o 1.478000       1.187000      ?             ?      
1 1 1 18 37 55 o -0.2054000E-01 1.655000      ?             ?      
1 1 1 18 37 56 o -3.160000      1.193000      ?             ?      
1 1 1 18 37 57 o 0.5245000      1.329000      ?             ?      
1 1 1 18 37 58 o -0.4220000     1.353000      ?             ?      
1 1 1 18 37 59 o -0.9115000     1.474000      ?             ?      
1 1 1 18 38 0  o 0.8653000      1.444000      37.14174      0.0    
1 1 1 18 38 1  o 3.306000       1.153000      249.4978      173.8  
1 1 1 18 38 2  o 6.537000       0.9642000     536.5414      -149.5 
1 1 1 18 38 3  o 1.981000       0.9343000     66.81311      158.0  
1 1 1 18 38 4  o 0.1427000      0.8425000     110.3470      -113.3 
1 1 1 18 38 5  o -0.6509000     0.8661000     53.64841      -86.9  
1 1 1 18 38 6  o 3.763000       0.9099000     477.4488      125.9  
1 1 1 18 38 7  o 8.264000       0.9830000     377.2634      34.5   
1 1 1 18 38 8  o 3.992000       0.9690000     272.2049      -100.7 
1 1 1 18 38 9  o 22.28000       1.279000      563.3929      11.2   
1 1 1 18 38 10 o 8.469000       1.119000      524.7969      -129.5 
1 1 1 18 38 11 o 0.3636000      0.9664000     229.5564      100.4  
1 1 1 18 38 12 o 2.429000       1.010000      295.1412      88.6   
1 1 1 18 38 13 o 8.689000       1.063000      473.6413      17.1   
1 1 1 18 38 14 o -0.1001000     1.011000      132.6834      -57.5  
1 1 1 18 38 15 o 0.1873000E-01  1.028000      124.5485      48.3   
1 1 1 18 38 16 o 3.601000       1.232000      333.3612      52.6   
1 1 1 18 38 17 o -1.183000      1.238000      11.50017      -178.9 
1 1 1 18 38 18 o 2.807000       1.261000      227.4366      -165.7 
1 1 1 18 38 19 o 0.2709000      1.252000      90.40046      167.8  
1 1 1 18 38 20 o 1.722000       1.297000      148.4704      -57.2  
1 1 1 18 38 21 o 4.384000       1.352000      274.8615      19.8   
1 1 1 18 38 22 o -0.2460000     1.176000      144.2914      -108.4 
1 1 1 18 38 23 o 0.9572000      1.405000      141.1153      112.7  
1 1 1 18 38 24 o 0.6895000      1.429000      215.1794      121.2  
1 1 1 18 38 25 o 8.090000       1.330000      359.6742      9.6    
1 1 1 18 38 26 o 0.9601000      1.479000      104.6198      -135.0 
1 1 1 18 38 27 o 2.052000       1.464000      301.8456      179.0  
1 1 1 18 38 28 o 6.784000       1.325000      362.6253      -31.8  
1 1 1 18 38 29 o 18.59000       1.440000      563.2837      -53.8  
1 1 1 18 38 30 o 6.583000       1.320000      399.9160      178.1  
1 1 1 18 38 31 o 2.059000       1.307000      150.1278      132.8  
1 1 1 18 38 32 o 6.160000       1.283000      345.9091      158.0  
1 1 1 18 38 33 o 0.9330000      1.236000      147.5393      -130.4 
1 1 1 18 38 34 o 0.3515000E-01  1.351000      94.99866      -46.3  
1 1 1 18 38 35 o -0.3474000     1.107000      211.3822      -6.0   
1 1 1 18 38 36 o 4.422000       1.138000      334.6544      122.6  
1 1 1 18 38 37 o 6.173000       1.151000      ?             ?      
1 1 1 18 38 38 o -0.8261000     1.177000      ?             ?      
1 1 1 18 38 39 o 1.536000       1.101000      ?             ?      
1 1 1 18 38 40 o 1.869000       1.117000      ?             ?      
1 1 1 18 38 41 o 4.139000       1.072000      ?             ?      
1 1 1 18 38 42 o -0.1145000     1.123000      ?             ?      
1 1 1 18 38 43 o -0.6220000     1.087000      ?             ?      
1 1 1 18 38 44 o -0.1361000     1.040000      ?             ?      
1 1 1 18 38 45 o 0.4471000      1.006000      ?             ?      
1 1 1 18 38 46 o 3.452000       1.127000      ?             ?      
1 1 1 18 38 47 o 0.6933000      1.130000      ?             ?      
1 1 1 18 38 48 o 2.357000       1.330000      ?             ?      
1 1 1 18 38 49 o 2.457000       1.209000      ?             ?      
1 1 1 18 38 50 o 2.137000       1.091000      ?             ?      
1 1 1 18 38 51 o 0.1295000      1.090000      ?             ?      
1 1 1 18 38 52 o 2.172000       1.120000      ?             ?      
1 1 1 18 38 53 o 2.631000       1.154000      ?             ?      
1 1 1 18 38 54 o -0.4780000     1.210000      ?             ?      
1 1 1 18 38 55 o 0.1698000      1.537000      ?             ?      
1 1 1 18 38 56 o -0.4537000     1.205000      ?             ?      
1 1 1 18 38 57 o 2.688000       1.446000      ?             ?      
1 1 1 18 38 58 o -0.5077000     1.296000      ?             ?      
1 1 1 18 39 0  o 1.457000       1.977000      241.3263      -0.0   
1 1 1 18 39 1  o 7.135000       1.194000      264.5142      -36.7  
1 1 1 18 39 2  o -0.7158000     0.9266000     150.7087      120.4  
1 1 1 18 39 3  o 0.6725000E-01  0.8577000     100.6916      -152.8 
1 1 1 18 39 4  o 1.470000       0.8569000     128.2427      4.2    
1 1 1 18 39 5  o 16.74000       1.139000      542.1842      -91.3  
1 1 1 18 39 6  o 3.189000       0.9312000     325.9678      37.6   
1 1 1 18 39 7  o 2.028000       0.8798000     268.4079      69.4   
1 1 1 18 39 8  o 7.140000       0.9108000     330.0390      48.4   
1 1 1 18 39 9  o 0.5590000      1.040000      136.6289      -55.7  
1 1 1 18 39 10 o 13.45000       1.137000      572.5168      132.3  
1 1 1 18 39 11 o 1.716000       0.9785000     262.0225      -8.1   
1 1 1 18 39 12 o 2.106000       1.021000      310.1525      119.1  
1 1 1 18 39 13 o 0.3930000      1.014000      149.9551      -133.6 
1 1 1 18 39 14 o 0.5728000      1.030000      162.5962      129.5  
1 1 1 18 39 15 o 5.765000       1.093000      222.8584      -23.5  
1 1 1 18 39 16 o 2.071000       1.266000      303.2158      -68.8  
1 1 1 18 39 17 o 4.516000       1.282000      146.3521      -145.3 
1 1 1 18 39 18 o 3.678000       1.283000      314.9962      170.6  
1 1 1 18 39 19 o 8.975000       1.367000      337.2158      -114.5 
1 1 1 18 39 20 o -2.451000      1.323000      78.79434      -48.0  
1 1 1 18 39 21 o 1.910000       1.381000      204.2002      51.3   
1 1 1 18 39 22 o 5.868000       1.869000      145.2568      -157.7 
1 1 1 18 39 23 o 13.49000       1.553000      507.3866      -112.5 
1 1 1 18 39 24 o 4.386000       1.320000      368.4460      158.7  
1 1 1 18 39 25 f 0.5603000      1.291000      37.21768      170.8  
1 1 1 18 39 26 o 8.641000       1.578000      437.6460      49.8   
1 1 1 18 39 27 o 0.4162000E-01  1.511000      71.79091      -173.6 
1 1 1 18 39 28 o 4.189000       1.404000      177.2979      131.0  
1 1 1 18 39 29 o 4.523000       1.335000      195.6362      -20.4  
1 1 1 18 39 30 o 3.206000       1.300000      340.1312      -44.1  
1 1 1 18 39 31 o 7.260000       1.316000      433.7422      -169.0 
1 1 1 18 39 32 o 0.5756000      1.319000      253.7785      68.4   
1 1 1 18 39 33 o 1.561000       1.664000      163.8347      1.6    
1 1 1 18 39 34 o 0.8323000      1.701000      166.4505      102.8  
1 1 1 18 39 35 o 7.526000       1.767000      468.6617      -132.8 
1 1 1 18 39 36 o -0.1986000     1.061000      ?             ?      
1 1 1 18 39 37 o -0.2980000     1.052000      ?             ?      
1 1 1 18 39 38 o 1.155000       1.146000      ?             ?      
1 1 1 18 39 39 o -0.2011000     1.141000      ?             ?      
1 1 1 18 39 40 o 2.676000       1.107000      ?             ?      
1 1 1 18 39 41 o -0.9755000     1.183000      ?             ?      
1 1 1 18 39 42 o 4.047000       1.112000      ?             ?      
1 1 1 18 39 43 o 5.263000       1.046000      ?             ?      
1 1 1 18 39 44 o 2.455000       1.016000      ?             ?      
1 1 1 18 39 45 o 1.203000       1.003000      ?             ?      
1 1 1 18 39 46 o -0.7720000     1.004000      ?             ?      
1 1 1 18 39 47 o 6.037000       1.159000      ?             ?      
1 1 1 18 39 48 o 2.645000       1.237000      ?             ?      
1 1 1 18 39 49 o 0.5241000      1.191000      ?             ?      
1 1 1 18 39 50 f 0.5022000      1.190000      ?             ?      
1 1 1 18 39 51 o 0.3383000      1.086000      ?             ?      
1 1 1 18 39 52 o 0.9692000E-01  1.091000      ?             ?      
1 1 1 18 39 53 o 0.8374000      1.116000      ?             ?      
1 1 1 18 39 54 o 0.1431000      1.124000      ?             ?      
1 1 1 18 39 55 o 1.752000       1.634000      ?             ?      
1 1 1 18 39 56 o -0.1708000     1.428000      ?             ?      
1 1 1 18 39 57 o -0.8302000     1.317000      ?             ?      
1 1 1 18 40 0  o 9.793000       2.019000      415.7308      180.0  
1 1 1 18 40 1  o -1.246000      1.151000      168.8507      165.1  
1 1 1 18 40 2  o 3.363000       0.9825000     233.4182      -119.9 
1 1 1 18 40 3  o 2.180000       0.8756000     187.0130      -120.5 
1 1 1 18 40 4  o 0.8892000      0.8548000     134.3262      148.4  
1 1 1 18 40 5  o -0.7116000     0.8627000     158.0630      93.1   
1 1 1 18 40 6  o 1.796000       0.8947000     224.1119      146.2  
1 1 1 18 40 7  o -0.6494000     0.8483000     85.07642      173.1  
1 1 1 18 40 8  o 3.507000       0.8675000     203.1986      -45.7  
1 1 1 18 40 9  o 8.967000       1.081000      374.2835      32.1   
1 1 1 18 40 10 o -0.6330000     1.032000      261.8761      -119.4 
1 1 1 18 40 11 o 2.781000       1.017000      313.7361      -78.5  
1 1 1 18 40 12 o 8.376000       1.126000      362.7269      25.4   
1 1 1 18 40 13 o 5.959000       1.068000      244.0888      59.1   
1 1 1 18 40 14 o 2.915000       1.079000      104.7848      110.8  
1 1 1 18 40 15 o -0.5245000E-01 1.079000      98.08963      35.3   
1 1 1 18 40 16 o 7.791000       1.307000      306.2047      -22.3  
1 1 1 18 40 17 o 1.971000       1.270000      136.4759      -49.8  
1 1 1 18 40 18 o -1.593000      1.304000      112.8472      -96.5  
1 1 1 18 40 19 o 9.840000       1.433000      406.9469      110.4  
1 1 1 18 40 20 o 4.381000       1.419000      212.7328      -13.8  
1 1 1 18 40 21 o 4.799000       1.470000      313.2735      -20.2  
1 1 1 18 40 22 o 11.66000       1.962000      468.5406      -44.4  
1 1 1 18 40 23 o -1.468000      1.890000      12.46358      18.5   
1 1 1 18 40 24 o 8.527000       1.355000      443.1838      41.8   
1 1 1 18 40 25 o 2.834000       1.568000      185.1260      -33.6  
1 1 1 18 40 26 o 3.308000       1.615000      214.6787      -150.0 
1 1 1 18 40 27 o 1.361000       1.305000      281.1875      44.5   
1 1 1 18 40 28 o 7.171000       1.333000      499.9214      -35.2  
1 1 1 18 40 29 o 4.884000       1.383000      252.3539      -163.7 
1 1 1 18 40 30 o -1.902000      1.268000      75.19500      -75.7  
1 1 1 18 40 31 o 1.190000       1.661000      134.6039      -104.4 
1 1 1 18 40 32 o 1.392000       1.681000      241.9426      166.2  
1 1 1 18 40 33 o 4.871000       1.262000      273.2432      33.5   
1 1 1 18 40 34 o 2.534000       1.242000      ?             ?      
1 1 1 18 40 35 o 0.5592000      1.197000      ?             ?      
1 1 1 18 40 36 o 2.478000       1.201000      ?             ?      
1 1 1 18 40 37 o 0.8221000      1.079000      ?             ?      
1 1 1 18 40 38 o 3.512000       1.063000      ?             ?      
1 1 1 18 40 39 o 3.435000       1.124000      ?             ?      
1 1 1 18 40 40 o 0.5307000E-01  1.137000      ?             ?      
1 1 1 18 40 41 o 2.667000       1.216000      ?             ?      
1 1 1 18 40 42 o 3.100000       1.063000      ?             ?      
1 1 1 18 40 43 o -0.3143000E-01 0.9953000     ?             ?      
1 1 1 18 40 44 o 1.431000       0.9739000     ?             ?      
1 1 1 18 40 45 o 2.764000       0.9939000     ?             ?      
1 1 1 18 40 46 o -1.515000      0.9846000     ?             ?      
1 1 1 18 40 47 o 2.294000       1.026000      ?             ?      
1 1 1 18 40 48 o -0.3412000     1.099000      ?             ?      
1 1 1 18 40 49 o 1.383000       1.213000      ?             ?      
1 1 1 18 40 50 o 2.553000       1.182000      ?             ?      
1 1 1 18 40 51 o 0.3765000      1.183000      ?             ?      
1 1 1 18 40 52 o -0.8859000     1.088000      ?             ?      
1 1 1 18 40 53 o -1.512000      1.102000      ?             ?      
1 1 1 18 40 54 o 1.031000       1.129000      ?             ?      
1 1 1 18 40 55 o -1.361000      1.614000      ?             ?      
1 1 1 18 40 56 o 2.826000       1.410000      ?             ?      
1 1 1 18 40 57 o -1.712000      4.455000      ?             ?      
1 1 1 18 41 0  o 0.6346000      1.668000      102.2821      -0.0   
1 1 1 18 41 1  o 3.436000       1.236000      224.0450      38.9   
1 1 1 18 41 2  o 9.054000       1.056000      466.8437      61.2   
1 1 1 18 41 3  o 1.846000       0.9499000     189.3319      -173.8 
1 1 1 18 41 4  o 3.798000       0.9473000     155.1405      -87.8  
1 1 1 18 41 5  o 4.587000       0.9190000     271.8907      -122.3 
1 1 1 18 41 6  o 4.873000       0.9177000     400.5043      77.0   
1 1 1 18 41 7  o 0.1312000      0.8511000     57.39606      135.6  
1 1 1 18 41 8  o -1.392000      0.8515000     46.12078      94.6   
1 1 1 18 41 9  o 2.068000       1.042000      431.9124      46.0   
1 1 1 18 41 10 o 10.39000       1.109000      455.4655      109.8  
1 1 1 18 41 11 o 4.685000       1.048000      199.1772      147.1  
1 1 1 18 41 12 o 6.235000       1.117000      330.2004      167.7  
1 1 1 18 41 13 o -1.096000      1.070000      206.7177      -38.9  
1 1 1 18 41 14 o 2.466000       1.084000      185.8573      -5.9   
1 1 1 18 41 15 o 6.155000       1.127000      340.6118      -62.2  
1 1 1 18 41 16 o 5.995000       1.319000      340.6089      121.6  
1 1 1 18 41 17 o 3.549000       1.336000      155.0279      92.5   
1 1 1 18 41 18 o 14.21000       1.471000      460.1491      -125.9 
1 1 1 18 41 19 o 6.318000       1.447000      395.9991      23.3   
1 1 1 18 41 20 o -0.9810000     1.423000      50.57588      152.9  
1 1 1 18 41 21 o 1.658000       1.970000      192.5877      16.9   
1 1 1 18 41 22 o 8.497000       2.109000      422.4869      158.2  
1 1 1 18 41 23 o 0.2222000      1.651000      71.78324      -153.5 
1 1 1 18 41 24 o 1.696000       1.657000      217.7060      -151.1 
1 1 1 18 41 25 o 1.972000       1.548000      182.8332      109.8  
1 1 1 18 41 26 o 4.644000       1.602000      281.5229      36.8   
1 1 1 18 41 27 o 2.814000       1.414000      241.1022      143.4  
1 1 1 18 41 28 o 8.467000       1.710000      392.5424      56.4   
1 1 1 18 41 29 o 11.06000       1.741000      518.5204      -3.8   
1 1 1 18 41 30 o 5.001000       1.313000      380.6017      -67.7  
1 1 1 18 41 31 o 2.691000       1.263000      231.6590      176.5  
1 1 1 18 41 32 o 2.160000       1.235000      257.3727      105.9  
1 1 1 18 41 33 o 1.886000       1.205000      ?             ?      
1 1 1 18 41 34 o 3.100000       1.197000      ?             ?      
1 1 1 18 41 35 o -1.915000      1.189000      ?             ?      
1 1 1 18 41 36 o 4.502000       1.222000      ?             ?      
1 1 1 18 41 37 o 7.750000       1.276000      ?             ?      
1 1 1 18 41 38 o 0.3780000      1.682000      ?             ?      
1 1 1 18 41 39 o 1.257000       1.042000      ?             ?      
1 1 1 18 41 40 o 1.065000       1.174000      ?             ?      
1 1 1 18 41 41 o 0.4679000      1.233000      ?             ?      
1 1 1 18 41 42 o 2.024000       1.051000      ?             ?      
1 1 1 18 41 43 o -0.1308000     0.9732000     ?             ?      
1 1 1 18 41 44 o 0.8936000      0.9738000     ?             ?      
1 1 1 18 41 45 o -0.7322000     0.9749000     ?             ?      
1 1 1 18 41 46 o 1.914000       0.9788000     ?             ?      
1 1 1 18 41 47 o 0.7102000      0.9871000     ?             ?      
1 1 1 18 41 48 o -0.2786000     0.9856000     ?             ?      
1 1 1 18 41 49 o 0.7831000      1.103000      ?             ?      
1 1 1 18 41 50 o 1.165000       1.240000      ?             ?      
1 1 1 18 41 51 o -0.4522000     1.189000      ?             ?      
1 1 1 18 41 52 o 1.087000       1.206000      ?             ?      
1 1 1 18 41 53 o -1.196000      1.105000      ?             ?      
1 1 1 18 41 54 o -0.9452000     1.563000      ?             ?      
1 1 1 18 41 55 o 2.820000       1.396000      ?             ?      
1 1 1 18 41 56 o 0.3369000E-01  1.500000      ?             ?      
1 1 1 18 42 0  o 0.2681000      1.530000      28.32873      0.0    
1 1 1 18 42 1  o 1.457000       1.094000      204.6530      -108.9 
1 1 1 18 42 2  o 5.156000       1.218000      456.2664      -132.6 
1 1 1 18 42 3  o 3.391000       1.054000      267.6359      -132.1 
1 1 1 18 42 4  o 0.2048000      0.9605000     147.5820      -123.6 
1 1 1 18 42 5  o 1.110000       0.9361000     207.2885      -98.8  
1 1 1 18 42 6  o 1.717000       0.8619000     87.74442      -100.7 
1 1 1 18 42 7  o -0.8301000E-01 0.8323000     103.3910      66.8   
1 1 1 18 42 8  o 9.409000       0.9127000     464.4303      89.1   
1 1 1 18 42 9  o 1.301000       1.059000      239.7965      -118.9 
1 1 1 18 42 10 o 4.112000       1.073000      324.6293      -63.3  
1 1 1 18 42 11 o -1.951000      1.067000      115.1427      47.0   
1 1 1 18 42 12 o 3.164000       1.118000      410.5729      101.8  
1 1 1 18 42 13 o 5.517000       1.124000      420.6992      21.7   
1 1 1 18 42 14 o 2.405000       1.123000      269.4636      130.9  
1 1 1 18 42 15 o -1.963000      1.121000      190.5975      104.0  
1 1 1 18 42 16 o 1.419000       1.366000      162.4749      133.9  
1 1 1 18 42 17 o 0.4520000      1.391000      128.7231      -126.5 
1 1 1 18 42 18 o 0.6838000      1.431000      158.2534      95.5   
1 1 1 18 42 19 o 4.033000       1.494000      301.5136      59.5   
1 1 1 18 42 20 o 2.830000       1.547000      158.1443      121.0  
1 1 1 18 42 21 o 4.754000       2.095000      309.7706      -75.1  
1 1 1 18 42 22 o 2.825000       2.047000      264.0418      21.4   
1 1 1 18 42 23 o 1.509000       1.628000      63.80640      -90.7  
1 1 1 18 42 24 o 2.701000       1.733000      291.3611      63.7   
1 1 1 18 42 25 o 1.696000       2.276000      183.2589      32.6   
1 1 1 18 42 26 o 4.321000       1.670000      245.0403      -152.1 
1 1 1 18 42 27 f 10.21000       1.399000      456.6581      77.1   
1 1 1 18 42 28 o -0.5161000     1.318000      102.6727      -179.8 
1 1 1 18 42 29 o 3.685000       1.325000      179.6664      33.8   
1 1 1 18 42 30 o -2.526000      1.281000      133.4764      -106.9 
1 1 1 18 42 31 o -0.4383000     1.271000      ?             ?      
1 1 1 18 42 32 o 2.540000       1.251000      ?             ?      
1 1 1 18 42 33 o -0.9756000E-01 1.180000      ?             ?      
1 1 1 18 42 34 o 3.195000       1.177000      ?             ?      
1 1 1 18 42 35 o 0.9100000      1.153000      ?             ?      
1 1 1 18 42 36 o -0.4442000     1.149000      ?             ?      
1 1 1 18 42 37 o -1.051000      1.150000      ?             ?      
1 1 1 18 42 38 o 0.5949000      1.338000      ?             ?      
1 1 1 18 42 39 o -0.1600000     2.282000      ?             ?      
1 1 1 18 42 40 o 1.019000       1.176000      ?             ?      
1 1 1 18 42 41 o -0.5679000     1.082000      ?             ?      
1 1 1 18 42 42 o 1.274000       1.047000      ?             ?      
1 1 1 18 42 43 o 2.129000       1.028000      ?             ?      
1 1 1 18 42 44 o 1.600000       0.9509000     ?             ?      
1 1 1 18 42 45 o 1.415000       0.9584000     ?             ?      
1 1 1 18 42 46 o 0.1897000      0.9709000     ?             ?      
1 1 1 18 42 47 o 3.300000       0.9937000     ?             ?      
1 1 1 18 42 48 o 1.843000       1.005000      ?             ?      
1 1 1 18 42 49 o 1.699000       1.004000      ?             ?      
1 1 1 18 42 50 o -0.1268000     1.103000      ?             ?      
1 1 1 18 42 51 o 3.624000       1.280000      ?             ?      
1 1 1 18 42 52 o -0.2880000     1.199000      ?             ?      
1 1 1 18 42 53 o -0.6543000E-01 1.142000      ?             ?      
1 1 1 18 42 54 o 2.810000       1.164000      ?             ?      
1 1 1 18 42 55 o 1.190000       1.481000      ?             ?      
1 1 1 18 43 0  o -0.1068000     1.508000      194.8625      0.0    
1 1 1 18 43 1  o 5.769000       1.086000      411.0007      52.5   
1 1 1 18 43 2  o 5.515000       1.091000      412.3610      18.5   
1 1 1 18 43 3  o 3.390000       1.170000      330.2772      -43.2  
1 1 1 18 43 4  o 8.407000       1.217000      333.4193      25.1   
1 1 1 18 43 5  o -0.2056000E-01 0.9640000     181.2941      -121.6 
1 1 1 18 43 6  o 1.915000       0.8825000     110.9141      -0.4   
1 1 1 18 43 7  o 2.127000       0.8463000     146.5128      158.1  
1 1 1 18 43 8  o -0.5409000     0.8519000     116.2109      106.2  
1 1 1 18 43 9  o 1.482000       1.107000      135.6282      -40.6  
1 1 1 18 43 10 o 0.6477000      1.110000      22.67665      -35.1  
1 1 1 18 43 11 o 18.87000       1.541000      562.4136      149.1  
1 1 1 18 43 12 o 2.322000       1.180000      234.4667      -98.9  
1 1 1 18 43 13 o 1.622000       1.405000      174.1453      -65.6  
1 1 1 18 43 14 o 6.126000       1.390000      388.9685      -151.1 
1 1 1 18 43 15 o -0.6148000     1.198000      101.0971      -88.6  
1 1 1 18 43 16 o 4.664000       1.440000      326.2756      57.3   
1 1 1 18 43 17 o 1.241000       1.466000      263.7452      -109.0 
1 1 1 18 43 18 o -0.3738000E-02 1.555000      127.5811      70.7   
1 1 1 18 43 19 o 3.128000       1.579000      322.3138      57.3   
1 1 1 18 43 20 o 11.29000       2.182000      435.7354      -135.8 
1 1 1 18 43 21 o -0.1588000     2.066000      211.1915      32.1   
1 1 1 18 43 22 o 1.624000       1.699000      96.93661      113.2  
1 1 1 18 43 23 o 4.778000       1.633000      329.2285      -162.9 
1 1 1 18 43 24 o 5.491000       2.332000      344.5283      -175.0 
1 1 1 18 43 25 o 4.165000       2.313000      295.9709      41.8   
1 1 1 18 43 26 o 6.355000       1.641000      215.0984      108.1  
1 1 1 18 43 27 o 0.9617000      1.617000      66.58203      23.3   
1 1 1 18 43 28 o 10.28000       1.379000      419.5247      95.6   
1 1 1 18 43 29 o 4.953000       1.331000      ?             ?      
1 1 1 18 43 30 o 2.631000       1.291000      ?             ?      
1 1 1 18 43 31 o -1.531000      1.261000      ?             ?      
1 1 1 18 43 32 o 0.5221000      1.227000      ?             ?      
1 1 1 18 43 33 o -0.4574000     1.232000      ?             ?      
1 1 1 18 43 34 o 2.312000       1.185000      ?             ?      
1 1 1 18 43 35 o 1.624000       1.188000      ?             ?      
1 1 1 18 43 36 o 0.4959000E-01  1.152000      ?             ?      
1 1 1 18 43 37 o 1.047000       1.158000      ?             ?      
1 1 1 18 43 38 o 0.1523000      1.310000      ?             ?      
1 1 1 18 43 39 o 2.474000       2.245000      ?             ?      
1 1 1 18 43 40 o -0.6473000     1.632000      ?             ?      
1 1 1 18 43 41 o -0.9288000     2.316000      ?             ?      
1 1 1 18 43 42 o -1.387000      1.029000      ?             ?      
1 1 1 18 43 43 o 0.4065000      1.005000      ?             ?      
1 1 1 18 43 44 o 0.6491000E-01  0.9958000     ?             ?      
1 1 1 18 43 45 o -0.2635000E-03 0.9323000     ?             ?      
1 1 1 18 43 46 o -0.2288000     0.9572000     ?             ?      
1 1 1 18 43 47 o 1.875000       0.9923000     ?             ?      
1 1 1 18 43 48 o 0.4998000      0.9930000     ?             ?      
1 1 1 18 43 49 o -2.038000      0.9769000     ?             ?      
1 1 1 18 43 50 o 1.183000       1.120000      ?             ?      
1 1 1 18 43 51 o -0.2204000     1.133000      ?             ?      
1 1 1 18 43 52 o 1.556000       1.818000      ?             ?      
1 1 1 18 43 53 o 1.873000       1.320000      ?             ?      
1 1 1 18 43 54 o -0.8334000     1.946000      ?             ?      
1 1 1 18 44 0  o 0.7264000      1.334000      41.73409      0.0    
1 1 1 18 44 1  o 2.622000       1.031000      255.6627      8.2    
1 1 1 18 44 2  o 3.986000       1.093000      136.8337      118.8  
1 1 1 18 44 3  o 3.105000       1.180000      164.6338      153.5  
1 1 1 18 44 4  o 8.245000       1.267000      438.1625      -14.1  
1 1 1 18 44 5  o 0.1827000      0.9246000     115.8711      134.2  
1 1 1 18 44 6  o -0.5494000     0.9044000     201.3147      133.5  
1 1 1 18 44 7  o 1.136000       0.8760000     230.5729      30.5   
1 1 1 18 44 8  o 1.970000       0.8893000     183.4170      78.5   
1 1 1 18 44 9  o 0.4825000      1.274000      92.26821      -4.2   
1 1 1 18 44 10 o 2.577000       1.164000      345.7012      -7.6   
1 1 1 18 44 11 o 1.554000       1.368000      216.5659      16.9   
1 1 1 18 44 12 o 9.729000       1.510000      451.1047      -117.1 
1 1 1 18 44 13 o 39.10000       1.959000      803.8122      4.3    
1 1 1 18 44 14 o 14.54000       1.611000      498.5621      97.3   
1 1 1 18 44 15 o 4.166000       1.335000      336.1315      -0.3   
1 1 1 18 44 16 o 7.684000       1.581000      333.0533      -166.8 
1 1 1 18 44 17 o 0.4572000      1.478000      157.3936      125.7  
1 1 1 18 44 18 o -0.1053000     1.517000      251.2272      15.1   
1 1 1 18 44 19 o -1.267000      1.603000      106.1780      63.5   
1 1 1 18 44 20 o 3.869000       2.081000      285.0229      102.3  
1 1 1 18 44 21 o -2.591000      1.588000      149.2767      -56.1  
1 1 1 18 44 22 o 1.115000       1.567000      196.1452      -122.8 
1 1 1 18 44 23 o 0.1812000      1.630000      92.87788      115.5  
1 1 1 18 44 24 o 11.27000       2.374000      414.2623      126.6  
1 1 1 18 44 25 o -0.3455000     1.620000      171.6434      -88.3  
1 1 1 18 44 26 o 6.483000       1.644000      376.1487      -160.3 
1 1 1 18 44 27 o 1.614000       1.603000      ?             ?      
1 1 1 18 44 28 o 2.648000       1.623000      ?             ?      
1 1 1 18 44 29 o 1.610000       1.307000      ?             ?      
1 1 1 18 44 30 o 1.817000       1.261000      ?             ?      
1 1 1 18 44 31 o -0.7835000     1.225000      ?             ?      
1 1 1 18 44 32 o -0.4333000     1.201000      ?             ?      
1 1 1 18 44 33 o 0.9909000E-01  1.217000      ?             ?      
1 1 1 18 44 34 o 2.792000       1.227000      ?             ?      
1 1 1 18 44 35 o 3.141000       1.358000      ?             ?      
1 1 1 18 44 36 o 0.3462000      1.136000      ?             ?      
1 1 1 18 44 37 o 1.550000       1.274000      ?             ?      
1 1 1 18 44 38 o -0.3557000     1.267000      ?             ?      
1 1 1 18 44 39 o -1.124000      1.166000      ?             ?      
1 1 1 18 44 40 o 1.652000       2.231000      ?             ?      
1 1 1 18 44 41 o -1.255000      2.249000      ?             ?      
1 1 1 18 44 42 o 0.7826000      1.683000      ?             ?      
1 1 1 18 44 43 o 1.357000       0.9837000     ?             ?      
1 1 1 18 44 44 o 0.7521000      0.9846000     ?             ?      
1 1 1 18 44 45 o -0.4736000     0.9228000     ?             ?      
1 1 1 18 44 46 o 0.3319000E-01  0.9337000     ?             ?      
1 1 1 18 44 47 o -0.2320000E-01 0.9579000     ?             ?      
1 1 1 18 44 48 o -0.5472000     0.9719000     ?             ?      
1 1 1 18 44 49 o -0.6822000E-01 1.091000      ?             ?      
1 1 1 18 44 50 o 2.603000       1.115000      ?             ?      
1 1 1 18 44 51 o -0.5931000     1.119000      ?             ?      
1 1 1 18 44 52 o -1.110000      1.160000      ?             ?      
1 1 1 18 44 53 o 1.855000       4.343000      ?             ?      
1 1 1 18 45 0  o 5.262000       1.385000      372.1544      0.0    
1 1 1 18 45 1  o 3.805000       1.049000      215.7473      81.1   
1 1 1 18 45 2  o 4.653000       1.081000      296.0760      7.6    
1 1 1 18 45 3  o 0.4522000      1.245000      158.2401      161.4  
1 1 1 18 45 4  o 3.646000       1.225000      298.7910      -110.3 
1 1 1 18 45 5  o 0.2276000      0.9358000     266.1024      58.3   
1 1 1 18 45 6  o -0.3065000     0.8916000     117.1659      4.8    
1 1 1 18 45 7  o 1.052000       0.8879000     209.7690      113.0  
1 1 1 18 45 8  o 1.812000       0.8956000     186.7344      115.5  
1 1 1 18 45 9  o 4.868000       1.469000      331.9978      69.3   
1 1 1 18 45 10 o 2.379000       1.181000      297.4326      82.3   
1 1 1 18 45 11 o 3.814000       1.170000      189.9828      -22.5  
1 1 1 18 45 12 o 4.385000       1.328000      216.7400      72.8   
1 1 1 18 45 13 o -0.9673000     1.302000      193.3751      160.7  
1 1 1 18 45 14 o 3.665000       1.242000      268.1013      136.9  
1 1 1 18 45 15 o -0.1742000     1.249000      258.1407      72.1   
1 1 1 18 45 16 o 1.487000       1.557000      41.09752      -55.9  
1 1 1 18 45 17 o 0.1532000      1.545000      143.6378      -61.0  
1 1 1 18 45 18 o 9.098000       1.603000      395.5987      72.2   
1 1 1 18 45 19 o 1.386000       2.019000      176.4691      -60.8  
1 1 1 18 45 20 o 4.163000       2.053000      211.9564      -102.6 
1 1 1 18 45 21 o 0.5171000      1.554000      28.17408      -62.3  
1 1 1 18 45 22 o 2.137000       1.600000      257.4817      -149.5 
1 1 1 18 45 23 o 5.905000       2.307000      148.9822      -102.0 
1 1 1 18 45 24 o 5.210000       2.361000      ?             ?      
1 1 1 18 45 25 o 5.301000       1.651000      ?             ?      
1 1 1 18 45 26 o 1.180000       1.595000      ?             ?      
1 1 1 18 45 27 o -1.888000      1.579000      ?             ?      
1 1 1 18 45 28 o 7.882000       1.676000      ?             ?      
1 1 1 18 45 29 o -0.5567000     1.586000      ?             ?      
1 1 1 18 45 30 o 2.685000       1.265000      ?             ?      
1 1 1 18 45 31 o 2.511000       1.275000      ?             ?      
1 1 1 18 45 32 o 0.2879000      1.238000      ?             ?      
1 1 1 18 45 33 o 2.428000       1.254000      ?             ?      
1 1 1 18 45 34 o -0.5696000     1.212000      ?             ?      
1 1 1 18 45 35 o -0.2883000E-01 1.205000      ?             ?      
1 1 1 18 45 36 o 5.244000       1.232000      ?             ?      
1 1 1 18 45 37 o 0.3678000      1.285000      ?             ?      
1 1 1 18 45 38 o -0.7036000E-01 1.140000      ?             ?      
1 1 1 18 45 39 o 1.009000       1.261000      ?             ?      
1 1 1 18 45 40 o -1.212000      1.270000      ?             ?      
1 1 1 18 45 41 o 4.019000       1.682000      ?             ?      
1 1 1 18 45 42 o -0.1290000     1.621000      ?             ?      
1 1 1 18 45 43 o -1.021000      1.684000      ?             ?      
1 1 1 18 45 44 o -0.1931000     1.251000      ?             ?      
1 1 1 18 45 45 o 0.4996000      0.9722000     ?             ?      
1 1 1 18 45 46 o 0.8643000      0.9398000     ?             ?      
1 1 1 18 45 47 o 1.438000       0.9576000     ?             ?      
1 1 1 18 45 48 o 0.7920000      1.058000      ?             ?      
1 1 1 18 45 49 o -0.9686000     1.078000      ?             ?      
1 1 1 18 45 50 o 3.007000       1.113000      ?             ?      
1 1 1 18 45 51 o 1.282000       1.355000      ?             ?      
1 1 1 18 46 0  o 8.715000       1.410000      493.3383      -0.0   
1 1 1 18 46 1  o 11.44000       1.019000      500.4049      43.1   
1 1 1 18 46 2  o 3.181000       1.012000      209.5513      -80.1  
1 1 1 18 46 3  o 4.508000       1.288000      207.8257      90.0   
1 1 1 18 46 4  o 0.2461000      1.309000      72.97546      -53.9  
1 1 1 18 46 5  o 2.267000       1.050000      255.6359      108.7  
1 1 1 18 46 6  o 2.364000       1.019000      348.3965      158.9  
1 1 1 18 46 7  o 2.527000       0.9991000     209.7100      4.7    
1 1 1 18 46 8  o 5.358000       0.9866000     452.2191      137.5  
1 1 1 18 46 9  o 0.5668000      1.255000      119.4380      -28.5  
1 1 1 18 46 10 o -0.7759000     1.375000      115.4096      -104.4 
1 1 1 18 46 11 o 1.566000       1.274000      199.5727      -143.9 
1 1 1 18 46 12 o 4.206000       1.252000      273.7473      -103.1 
1 1 1 18 46 13 o 1.456000       1.219000      170.0582      -31.8  
1 1 1 18 46 14 o 2.500000       1.257000      153.3356      104.4  
1 1 1 18 46 15 o 6.511000       1.283000      357.2284      -18.1  
1 1 1 18 46 16 o 1.984000       1.490000      171.1241      157.5  
1 1 1 18 46 17 o -2.094000      1.475000      60.01269      80.2   
1 1 1 18 46 18 o -1.890000      1.980000      99.94211      0.2    
1 1 1 18 46 19 o 1.340000       2.039000      260.5596      135.5  
1 1 1 18 46 20 o -0.9056000     1.575000      111.6156      120.6  
1 1 1 18 46 21 o -2.494000      1.526000      77.14327      115.0  
1 1 1 18 46 22 o 3.305000       1.644000      ?             ?      
1 1 1 18 46 23 o -0.8340000     2.237000      ?             ?      
1 1 1 18 46 24 o -0.4039000     1.602000      ?             ?      
1 1 1 18 46 25 o 2.565000       1.593000      ?             ?      
1 1 1 18 46 26 o 6.699000       1.615000      ?             ?      
1 1 1 18 46 27 o 4.101000       1.589000      ?             ?      
1 1 1 18 46 28 o 1.838000       1.575000      ?             ?      
1 1 1 18 46 29 o 1.903000       1.535000      ?             ?      
1 1 1 18 46 30 o 1.617000       1.512000      ?             ?      
1 1 1 18 46 31 o 0.3898000      1.562000      ?             ?      
1 1 1 18 46 32 o 2.317000       1.265000      ?             ?      
1 1 1 18 46 33 o 1.220000       1.265000      ?             ?      
1 1 1 18 46 34 o 2.316000       1.230000      ?             ?      
1 1 1 18 46 35 o 2.128000       1.216000      ?             ?      
1 1 1 18 46 36 o 0.8087000      1.364000      ?             ?      
1 1 1 18 46 37 o 0.9204000      1.354000      ?             ?      
1 1 1 18 46 38 o -1.754000      1.180000      ?             ?      
1 1 1 18 46 39 o 2.122000       1.277000      ?             ?      
1 1 1 18 46 40 o 0.2916000      1.272000      ?             ?      
1 1 1 18 46 41 o 1.302000       1.145000      ?             ?      
1 1 1 18 46 42 o -0.6528000     1.613000      ?             ?      
1 1 1 18 46 43 o 0.1906000      1.643000      ?             ?      
1 1 1 18 46 44 o -0.8170000     1.709000      ?             ?      
1 1 1 18 46 45 o -0.3989000     1.258000      ?             ?      
1 1 1 18 46 46 o 0.5579000      0.9806000     ?             ?      
1 1 1 18 46 47 o -1.370000      1.018000      ?             ?      
1 1 1 18 46 48 o -0.1143000     1.038000      ?             ?      
1 1 1 18 46 49 o 0.1133000      1.063000      ?             ?      
1 1 1 18 46 50 o 0.6799000      1.089000      ?             ?      
1 1 1 18 47 0  o -1.858000      1.325000      138.5907      -180.0 
1 1 1 18 47 1  o 4.539000       0.9573000     230.1314      126.7  
1 1 1 18 47 2  o 3.759000       1.108000      126.9030      -85.6  
1 1 1 18 47 3  o -0.1314000     2.073000      106.4014      28.5   
1 1 1 18 47 4  o 0.2712000      2.047000      12.84420      22.6   
1 1 1 18 47 5  o 0.8321000      1.053000      165.1866      11.9   
1 1 1 18 47 6  o -0.1798000     1.002000      172.7351      -133.2 
1 1 1 18 47 7  o 2.835000       1.018000      238.3764      111.5  
1 1 1 18 47 8  o 8.456000       0.9985000     379.1573      105.2  
1 1 1 18 47 9  o -2.444000      1.206000      32.82151      110.2  
1 1 1 18 47 10 o 5.490000       1.249000      314.7637      30.8   
1 1 1 18 47 11 o 4.922000       1.258000      266.5575      -18.1  
1 1 1 18 47 12 o 2.006000       1.269000      258.8145      86.8   
1 1 1 18 47 13 o 0.1344000      1.180000      93.17537      -177.2 
1 1 1 18 47 14 o 3.697000       1.213000      208.9768      82.3   
1 1 1 18 47 15 o 1.821000       1.209000      147.3784      -20.5  
1 1 1 18 47 16 o 0.9577000      1.462000      70.39635      -3.6   
1 1 1 18 47 17 o 0.5809000      1.500000      54.82926      -52.5  
1 1 1 18 47 18 o 2.771000       1.949000      117.7859      -135.7 
1 1 1 18 47 19 o 2.137000       1.986000      ?             ?      
1 1 1 18 47 20 o 6.334000       1.633000      ?             ?      
1 1 1 18 47 21 o 5.268000       1.656000      ?             ?      
1 1 1 18 47 22 o 0.4466000      2.203000      ?             ?      
1 1 1 18 47 23 o 3.377000       2.200000      ?             ?      
1 1 1 18 47 24 o 1.758000       1.549000      ?             ?      
1 1 1 18 47 25 o 2.260000       1.519000      ?             ?      
1 1 1 18 47 26 o -0.2039000     1.536000      ?             ?      
1 1 1 18 47 27 o -1.603000      1.540000      ?             ?      
1 1 1 18 47 28 o 1.052000       1.530000      ?             ?      
1 1 1 18 47 29 o 1.971000       1.532000      ?             ?      
1 1 1 18 47 30 o 0.9772000      1.527000      ?             ?      
1 1 1 18 47 31 o 3.158000       1.602000      ?             ?      
1 1 1 18 47 32 o 4.331000       1.650000      ?             ?      
1 1 1 18 47 33 o 0.3144000      1.238000      ?             ?      
1 1 1 18 47 34 o -0.5117000     1.252000      ?             ?      
1 1 1 18 47 35 o 0.7158000      1.439000      ?             ?      
1 1 1 18 47 36 o -2.361000      1.421000      ?             ?      
1 1 1 18 47 37 o -1.808000      1.211000      ?             ?      
1 1 1 18 47 38 o -0.3964000E-01 1.380000      ?             ?      
1 1 1 18 47 39 o 1.708000       1.343000      ?             ?      
1 1 1 18 47 40 o 0.4159000      1.145000      ?             ?      
1 1 1 18 47 41 o 1.410000       1.150000      ?             ?      
1 1 1 18 47 42 o 1.275000       1.147000      ?             ?      
1 1 1 18 47 43 o -0.4722000     1.593000      ?             ?      
1 1 1 18 47 44 o -1.285000      1.717000      ?             ?      
1 1 1 18 47 45 o 1.921000       1.806000      ?             ?      
1 1 1 18 47 46 o -0.5191000     1.341000      ?             ?      
1 1 1 18 47 47 o -0.5207000     1.352000      ?             ?      
1 1 1 18 47 48 o 0.2151000      1.021000      ?             ?      
1 1 1 18 47 49 o 0.1556000      1.067000      ?             ?      
1 1 1 18 48 0  o 3.531000       1.655000      64.31065      0.0    
1 1 1 18 48 1  o 2.560000       1.062000      226.0086      81.1   
1 1 1 18 48 2  o -0.1982000     1.029000      145.1681      17.3   
1 1 1 18 48 3  o 2.923000       1.330000      240.7313      60.2   
1 1 1 18 48 4  o 2.451000       1.310000      145.6402      -152.0 
1 1 1 18 48 5  o -1.550000      1.029000      34.40426      -156.2 
1 1 1 18 48 6  o 1.440000       1.030000      161.6528      -164.4 
1 1 1 18 48 7  o -0.7317000E-01 1.027000      57.16252      72.7   
1 1 1 18 48 8  o 2.060000       0.9965000     259.1968      156.0  
1 1 1 18 48 9  o 2.446000       1.219000      178.9212      173.4  
1 1 1 18 48 10 o 1.002000       1.188000      180.0304      177.0  
1 1 1 18 48 11 o 3.156000       1.204000      204.0717      156.4  
1 1 1 18 48 12 o 1.135000       1.187000      77.21967      -144.9 
1 1 1 18 48 13 o 1.272000       1.162000      155.4247      -108.4 
1 1 1 18 48 14 o 0.9037000      1.179000      137.1417      3.8    
1 1 1 18 48 15 o -0.1947000     1.181000      ?             ?      
1 1 1 18 48 16 o -0.8250000     1.445000      ?             ?      
1 1 1 18 48 17 o -0.3369000     1.926000      ?             ?      
1 1 1 18 48 18 o -0.7847000     1.984000      ?             ?      
1 1 1 18 48 19 o 0.1260000E-01  1.516000      ?             ?      
1 1 1 18 48 20 o 1.129000       1.541000      ?             ?      
1 1 1 18 48 21 o 1.654000       1.586000      ?             ?      
1 1 1 18 48 22 o 0.6092000      2.191000      ?             ?      
1 1 1 18 48 23 o 0.2815000      1.543000      ?             ?      
1 1 1 18 48 24 o -0.9206000     1.543000      ?             ?      
1 1 1 18 48 25 o -0.6261000     1.519000      ?             ?      
1 1 1 18 48 26 o 4.818000       1.587000      ?             ?      
1 1 1 18 48 27 o 4.887000       1.566000      ?             ?      
1 1 1 18 48 28 o -1.364000      1.482000      ?             ?      
1 1 1 18 48 29 o -1.014000      1.551000      ?             ?      
1 1 1 18 48 30 o -1.045000      1.577000      ?             ?      
1 1 1 18 48 31 o -0.4405000     1.557000      ?             ?      
1 1 1 18 48 32 o 0.5746000      1.597000      ?             ?      
1 1 1 18 48 33 o 0.2986000      1.620000      ?             ?      
1 1 1 18 48 34 o -1.759000      1.297000      ?             ?      
1 1 1 18 48 35 o 1.586000       1.446000      ?             ?      
1 1 1 18 48 36 o -2.220000      1.431000      ?             ?      
1 1 1 18 48 37 o -0.5897000     1.278000      ?             ?      
1 1 1 18 48 38 o 0.4380000      1.431000      ?             ?      
1 1 1 18 48 39 o 0.1000000      1.391000      ?             ?      
1 1 1 18 48 40 o 1.754000       1.205000      ?             ?      
1 1 1 18 48 41 o 1.765000       1.202000      ?             ?      
1 1 1 18 48 42 o 0.3694000      1.181000      ?             ?      
1 1 1 18 48 43 o -2.212000      1.215000      ?             ?      
1 1 1 18 48 44 o 2.223000       1.649000      ?             ?      
1 1 1 18 48 45 o -0.1829000     1.736000      ?             ?      
1 1 1 18 48 46 o 0.6251000E-01  1.791000      ?             ?      
1 1 1 18 48 47 o -1.418000      1.342000      ?             ?      
1 1 1 18 48 48 o 0.6541000      2.664000      ?             ?      
1 1 1 18 49 0  o 6.550000       1.489000      239.7032      180.0  
1 1 1 18 49 1  f -1.501000      0.9839000     81.68613      -7.6   
1 1 1 18 49 2  o 0.3551000      1.037000      94.39997      140.3  
1 1 1 18 49 3  o -0.1717000     1.222000      57.96849      115.5  
1 1 1 18 49 4  o 2.428000       1.346000      158.9441      -139.5 
1 1 1 18 49 5  o 1.962000       1.123000      193.9210      -60.8  
1 1 1 18 49 6  o -1.345000      1.001000      38.45457      108.3  
1 1 1 18 49 7  o 2.065000       1.076000      154.3682      140.2  
1 1 1 18 49 8  o 0.1698000      1.132000      88.04424      -139.2 
1 1 1 18 49 9  o 0.9084000      1.184000      ?             ?      
1 1 1 18 49 10 o -0.7850000     1.155000      ?             ?      
1 1 1 18 49 11 o -1.151000      1.139000      ?             ?      
1 1 1 18 49 12 f 0.3164000      1.165000      ?             ?      
1 1 1 18 49 13 o 0.3278000      1.160000      ?             ?      
1 1 1 18 49 14 o -0.9136000E-01 1.164000      ?             ?      
1 1 1 18 49 15 o -0.7754000     1.161000      ?             ?      
1 1 1 18 49 16 o 0.8155000      1.462000      ?             ?      
1 1 1 18 49 17 o -1.898000      1.905000      ?             ?      
1 1 1 18 49 18 o 0.5440000      1.927000      ?             ?      
1 1 1 18 49 19 o 0.3259000      1.497000      ?             ?      
1 1 1 18 49 20 o 1.757000       1.505000      ?             ?      
1 1 1 18 49 21 o 7.576000       2.183000      ?             ?      
1 1 1 18 49 22 o 1.084000       2.042000      ?             ?      
1 1 1 18 49 23 o -1.297000      1.510000      ?             ?      
1 1 1 18 49 24 o 0.2388000      1.472000      ?             ?      
1 1 1 18 49 25 o 0.4507000      1.463000      ?             ?      
1 1 1 18 49 26 o -0.1438000     1.483000      ?             ?      
1 1 1 18 49 27 o 1.130000       1.520000      ?             ?      
1 1 1 18 49 28 o 1.042000       1.537000      ?             ?      
1 1 1 18 49 29 o -0.7958000     1.521000      ?             ?      
1 1 1 18 49 30 o 1.994000       1.578000      ?             ?      
1 1 1 18 49 31 o -0.1589000E-01 1.576000      ?             ?      
1 1 1 18 49 32 o 4.102000       1.605000      ?             ?      
1 1 1 18 49 33 o 1.631000       1.589000      ?             ?      
1 1 1 18 49 34 o -1.535000      2.088000      ?             ?      
1 1 1 18 49 35 o -0.3821000     2.101000      ?             ?      
1 1 1 18 49 36 o 1.988000       1.388000      ?             ?      
1 1 1 18 49 37 o 1.732000       1.528000      ?             ?      
1 1 1 18 49 38 o -0.1403000     1.468000      ?             ?      
1 1 1 18 49 39 o 0.8478000      1.262000      ?             ?      
1 1 1 18 49 40 o -0.9431000     1.254000      ?             ?      
1 1 1 18 49 41 o -0.5108000     1.308000      ?             ?      
1 1 1 18 49 42 o 1.123000       1.246000      ?             ?      
1 1 1 18 49 43 o -0.7209000E-01 1.213000      ?             ?      
1 1 1 18 49 44 o -1.204000      1.236000      ?             ?      
1 1 1 18 49 45 o 0.1195000      1.687000      ?             ?      
1 1 1 18 49 46 o 0.6771000      1.763000      ?             ?      
1 1 1 18 50 0  o 3.285000       1.452000      ?             ?      
1 1 1 18 50 1  o 0.8648000      1.180000      ?             ?      
1 1 1 18 50 2  f 4.945000       1.099000      ?             ?      
1 1 1 18 50 3  o 0.5661000E-01  1.082000      ?             ?      
1 1 1 18 50 4  o 3.997000       1.110000      ?             ?      
1 1 1 18 50 5  o 1.805000       1.253000      ?             ?      
1 1 1 18 50 6  o 1.590000       1.153000      ?             ?      
1 1 1 18 50 7  o 2.269000       1.035000      ?             ?      
1 1 1 18 50 8  o 0.1245000      0.8818000     ?             ?      
1 1 1 18 50 9  o 0.3678000      1.167000      ?             ?      
1 1 1 18 50 10 o 1.099000       1.163000      ?             ?      
1 1 1 18 50 11 o 0.8554000      1.139000      ?             ?      
1 1 1 18 50 12 o -0.5417000     1.161000      ?             ?      
1 1 1 18 50 13 o 2.796000       1.170000      ?             ?      
1 1 1 18 50 14 o 0.7411000      1.139000      ?             ?      
1 1 1 18 50 15 o 0.8036000E-01  1.137000      ?             ?      
1 1 1 18 50 16 o 2.367000       1.860000      ?             ?      
1 1 1 18 50 17 o -1.251000      1.889000      ?             ?      
1 1 1 18 50 18 o -0.6966000     1.460000      ?             ?      
1 1 1 18 50 19 o 1.941000       1.458000      ?             ?      
1 1 1 18 50 20 o 0.7891000      1.464000      ?             ?      
1 1 1 18 50 21 o -0.7595000     1.999000      ?             ?      
1 1 1 18 50 22 o -0.9949000     1.999000      ?             ?      
1 1 1 18 50 23 o -3.451000      1.445000      ?             ?      
1 1 1 18 50 24 o -0.1161000     1.444000      ?             ?      
1 1 1 18 50 25 o -3.040000      1.458000      ?             ?      
1 1 1 18 50 26 o 4.111000       1.528000      ?             ?      
1 1 1 18 50 27 o -0.6781000E-01 1.519000      ?             ?      
1 1 1 18 50 28 o 1.328000       1.513000      ?             ?      
1 1 1 18 50 29 o 1.126000       1.510000      ?             ?      
1 1 1 18 50 30 o -0.4081000     1.529000      ?             ?      
1 1 1 18 50 31 o -0.3141000E-01 1.557000      ?             ?      
1 1 1 18 50 32 o -0.4192000     1.559000      ?             ?      
1 1 1 18 50 33 o -0.5120000     1.613000      ?             ?      
1 1 1 18 50 34 o -2.888000      2.136000      ?             ?      
1 1 1 18 50 35 o 0.8593000      1.636000      ?             ?      
1 1 1 18 50 36 o 4.015000       1.623000      ?             ?      
1 1 1 18 50 37 o -0.8374000     1.456000      ?             ?      
1 1 1 18 50 38 o -1.581000      1.462000      ?             ?      
1 1 1 18 50 39 o 2.164000       1.350000      ?             ?      
1 1 1 18 50 40 o 0.4073000      1.324000      ?             ?      
1 1 1 18 50 41 o -1.021000      1.323000      ?             ?      
1 1 1 18 50 42 o 0.4713000      1.324000      ?             ?      
1 1 1 18 50 43 o 4.238000       1.343000      ?             ?      
1 1 1 18 50 44 o 0.2506000E-01  1.294000      ?             ?      
1 1 1 18 50 45 o 0.3111000      2.349000      ?             ?      
1 1 1 18 51 0  o -0.5469000     1.234000      ?             ?      
1 1 1 18 51 1  o 0.5042000      1.062000      ?             ?      
1 1 1 18 51 2  o 0.7891000      1.245000      ?             ?      
1 1 1 18 51 3  o -0.3206000     1.066000      ?             ?      
1 1 1 18 51 4  o -0.7485000     0.9940000     ?             ?      
1 1 1 18 51 5  o 1.617000       1.129000      ?             ?      
1 1 1 18 51 6  o 2.368000       1.179000      ?             ?      
1 1 1 18 51 7  o -0.7402000     0.9703000     ?             ?      
1 1 1 18 51 8  o 1.273000       0.8575000     ?             ?      
1 1 1 18 51 9  o 0.1393000      1.191000      ?             ?      
1 1 1 18 51 10 o 0.8842000      1.149000      ?             ?      
1 1 1 18 51 11 o 1.091000       1.138000      ?             ?      
1 1 1 18 51 12 o 0.9515000      1.135000      ?             ?      
1 1 1 18 51 13 o -0.4760000     1.123000      ?             ?      
1 1 1 18 51 14 o 0.7085000      1.126000      ?             ?      
1 1 1 18 51 15 o 1.202000       1.136000      ?             ?      
1 1 1 18 51 16 o -1.722000      1.814000      ?             ?      
1 1 1 18 51 17 o -0.7432000     1.871000      ?             ?      
1 1 1 18 51 18 o 1.140000       1.402000      ?             ?      
1 1 1 18 51 19 o 0.1595000      1.414000      ?             ?      
1 1 1 18 51 20 o -0.1551000     2.048000      ?             ?      
1 1 1 18 51 21 o 1.280000       2.073000      ?             ?      
1 1 1 18 51 22 o 1.840000       1.494000      ?             ?      
1 1 1 18 51 23 o -0.1441000     1.472000      ?             ?      
1 1 1 18 51 24 o 0.3950000      1.471000      ?             ?      
1 1 1 18 51 25 o 3.324000       1.496000      ?             ?      
1 1 1 18 51 26 o 2.279000       1.500000      ?             ?      
1 1 1 18 51 27 o 0.7034000      1.499000      ?             ?      
1 1 1 18 51 28 o -0.2219000     1.499000      ?             ?      
1 1 1 18 51 29 f 0.5436000      1.505000      ?             ?      
1 1 1 18 51 30 o -0.6018000     1.502000      ?             ?      
1 1 1 18 51 31 o -0.4149000E-01 1.516000      ?             ?      
1 1 1 18 51 32 o 0.9086000E-01  1.540000      ?             ?      
1 1 1 18 51 33 o -4.043000      2.058000      ?             ?      
1 1 1 18 51 34 o 1.624000       2.150000      ?             ?      
1 1 1 18 51 35 o -1.978000      1.633000      ?             ?      
1 1 1 18 51 36 o 3.491000       2.299000      ?             ?      
1 1 1 18 51 37 o -1.839000      2.213000      ?             ?      
1 1 1 18 51 38 o -3.397000      3.097000      ?             ?      
1 1 1 18 51 39 o 1.913000       1.276000      ?             ?      
1 1 1 18 51 40 o 2.353000       1.360000      ?             ?      
1 1 1 18 51 41 o 0.6829000      1.338000      ?             ?      
1 1 1 18 51 42 o 0.4615000      1.330000      ?             ?      
1 1 1 18 51 43 o 0.8799000      2.407000      ?             ?      
1 1 1 18 51 44 o -2.220000      1.796000      ?             ?      
1 1 1 18 52 0  o -0.2147000     1.228000      ?             ?      
1 1 1 18 52 1  o 3.525000       1.181000      ?             ?      
1 1 1 18 52 2  o 1.163000       1.155000      ?             ?      
1 1 1 18 52 3  o 1.656000       1.018000      ?             ?      
1 1 1 18 52 4  o -0.3989000     0.9721000     ?             ?      
1 1 1 18 52 5  o -0.3408000     1.064000      ?             ?      
1 1 1 18 52 6  o 0.3224000      1.106000      ?             ?      
1 1 1 18 52 7  o 1.313000       0.9286000     ?             ?      
1 1 1 18 52 8  o 0.5782000E-01  0.8322000     ?             ?      
1 1 1 18 52 9  o 0.3418000      1.271000      ?             ?      
1 1 1 18 52 10 o -0.9157000     1.308000      ?             ?      
1 1 1 18 52 11 o -0.9109000     1.115000      ?             ?      
1 1 1 18 52 12 o 1.194000       1.140000      ?             ?      
1 1 1 18 52 13 o 0.2779000      1.098000      ?             ?      
1 1 1 18 52 14 o 1.212000       1.100000      ?             ?      
1 1 1 18 52 15 o 1.316000       1.280000      ?             ?      
1 1 1 18 52 16 o 0.7949000      1.834000      ?             ?      
1 1 1 18 52 17 o 1.411000       1.417000      ?             ?      
1 1 1 18 52 18 o -0.8840000     1.402000      ?             ?      
1 1 1 18 52 19 o 0.7512000      1.517000      ?             ?      
1 1 1 18 52 20 o 1.755000       2.093000      ?             ?      
1 1 1 18 52 21 o -0.3518000     2.042000      ?             ?      
1 1 1 18 52 22 o 0.4917000      1.469000      ?             ?      
1 1 1 18 52 23 o 1.313000       1.485000      ?             ?      
1 1 1 18 52 24 o 2.288000       1.482000      ?             ?      
1 1 1 18 52 25 o 1.277000       1.468000      ?             ?      
1 1 1 18 52 26 o -0.3261000     1.485000      ?             ?      
1 1 1 18 52 27 o 0.7432000      1.500000      ?             ?      
1 1 1 18 52 28 o 2.828000       1.514000      ?             ?      
1 1 1 18 52 29 o 0.4058000      1.523000      ?             ?      
1 1 1 18 52 30 o -1.097000      1.496000      ?             ?      
1 1 1 18 52 31 o 0.6999000      1.516000      ?             ?      
1 1 1 18 52 32 o -0.1327000     2.007000      ?             ?      
1 1 1 18 52 33 o 2.511000       2.088000      ?             ?      
1 1 1 18 52 34 o -0.7535000     1.562000      ?             ?      
1 1 1 18 52 35 o 0.6847000E-01  1.605000      ?             ?      
1 1 1 18 52 36 o 3.371000       2.302000      ?             ?      
1 1 1 18 52 37 o 3.579000       2.405000      ?             ?      
1 1 1 18 52 38 o -2.233000      1.647000      ?             ?      
1 1 1 18 52 39 o 0.9991000      1.671000      ?             ?      
1 1 1 18 52 40 o -0.3414000     1.311000      ?             ?      
1 1 1 18 52 41 o 0.2742000      1.076000      ?             ?      
1 1 1 18 52 42 o -2.380000      2.316000      ?             ?      
1 1 1 18 53 0  o 0.6630000      1.191000      ?             ?      
1 1 1 18 53 1  o 1.139000       0.9475000     ?             ?      
1 1 1 18 53 2  o 0.1854000      0.9647000     ?             ?      
1 1 1 18 53 3  o 0.2691000      0.8760000     ?             ?      
1 1 1 18 53 4  o 0.8177000      0.9233000     ?             ?      
1 1 1 18 53 5  o 2.104000       1.032000      ?             ?      
1 1 1 18 53 6  o 0.1550000      1.159000      ?             ?      
1 1 1 18 53 7  o -0.2484000E-01 0.9119000     ?             ?      
1 1 1 18 53 8  o 0.2908000      0.8731000     ?             ?      
1 1 1 18 53 9  o 1.128000       1.235000      ?             ?      
1 1 1 18 53 10 o 0.4160000      1.237000      ?             ?      
1 1 1 18 53 11 o -1.170000      1.076000      ?             ?      
1 1 1 18 53 12 o -0.2808000     1.299000      ?             ?      
1 1 1 18 53 13 o 0.7776000E-01  1.275000      ?             ?      
1 1 1 18 53 14 o 0.7376000      1.628000      ?             ?      
1 1 1 18 53 15 o -3.863000      1.820000      ?             ?      
1 1 1 18 53 16 o -0.7087000     1.420000      ?             ?      
1 1 1 18 53 17 o -1.055000      1.419000      ?             ?      
1 1 1 18 53 18 o 3.351000       1.458000      ?             ?      
1 1 1 18 53 19 o 0.7266000      2.076000      ?             ?      
1 1 1 18 53 20 o -2.291000      1.996000      ?             ?      
1 1 1 18 53 21 o 1.236000       1.476000      ?             ?      
1 1 1 18 53 22 o -0.2363000     1.442000      ?             ?      
1 1 1 18 53 23 o -2.343000      1.423000      ?             ?      
1 1 1 18 53 24 o -0.8682000     1.451000      ?             ?      
1 1 1 18 53 25 o -1.218000      1.466000      ?             ?      
1 1 1 18 53 26 o -0.6754000     1.470000      ?             ?      
1 1 1 18 53 27 o 0.8067000      0.8989000     ?             ?      
1 1 1 18 53 28 o 0.9894000      1.510000      ?             ?      
1 1 1 18 53 29 o -0.9753000     1.489000      ?             ?      
1 1 1 18 53 30 o 2.040000       1.524000      ?             ?      
1 1 1 18 53 31 o 0.6250000E-01  1.520000      ?             ?      
1 1 1 18 53 32 o 0.9671000      2.106000      ?             ?      
1 1 1 18 53 33 o 1.720000       2.128000      ?             ?      
1 1 1 18 53 34 o -0.8302000     1.634000      ?             ?      
1 1 1 18 53 35 o 4.840000       2.348000      ?             ?      
1 1 1 18 53 36 o -2.101000      2.292000      ?             ?      
1 1 1 18 53 37 o 1.300000       1.651000      ?             ?      
1 1 1 18 53 38 o 3.866000       1.708000      ?             ?      
1 1 1 18 53 39 o 0.3758000      2.370000      ?             ?      
1 1 1 18 53 40 o 1.763000       2.331000      ?             ?      
1 1 1 18 54 0  o 0.5443000      1.449000      ?             ?      
1 1 1 18 54 1  o -0.8738000E-01 0.9582000     ?             ?      
1 1 1 18 54 2  o -0.2567000     0.8422000     ?             ?      
1 1 1 18 54 3  o -0.9874000     0.8515000     ?             ?      
1 1 1 18 54 4  o 1.813000       0.9162000     ?             ?      
1 1 1 18 54 5  o -0.5209000     0.9411000     ?             ?      
1 1 1 18 54 6  o 2.134000       1.014000      ?             ?      
1 1 1 18 54 7  o -0.7617000     1.043000      ?             ?      
1 1 1 18 54 8  o 0.4721000      1.053000      ?             ?      
1 1 1 18 54 9  o 1.436000       1.148000      ?             ?      
1 1 1 18 54 10 o 1.306000       1.088000      ?             ?      
1 1 1 18 54 11 o 1.558000       1.080000      ?             ?      
1 1 1 18 54 12 o 0.6716000      1.237000      ?             ?      
1 1 1 18 54 13 o -0.4125000     1.230000      ?             ?      
1 1 1 18 54 14 o 0.7259000      1.245000      ?             ?      
1 1 1 18 54 15 o 0.5471000      1.864000      ?             ?      
1 1 1 18 54 16 o 0.2792000      2.008000      ?             ?      
1 1 1 18 54 17 o 0.1129000      2.003000      ?             ?      
1 1 1 18 54 18 o 1.420000       2.032000      ?             ?      
1 1 1 18 54 19 o 3.269000       2.027000      ?             ?      
1 1 1 18 54 20 o 2.442000       2.117000      ?             ?      
1 1 1 18 54 21 o -0.9417000     1.425000      ?             ?      
1 1 1 18 54 22 o -1.425000      1.429000      ?             ?      
1 1 1 18 54 23 o 1.740000       1.447000      ?             ?      
1 1 1 18 54 24 o 0.2059000      1.432000      ?             ?      
1 1 1 18 54 25 o -1.337000      1.450000      ?             ?      
1 1 1 18 54 26 o -1.025000      1.464000      ?             ?      
1 1 1 18 54 27 o 0.5571000      1.486000      ?             ?      
1 1 1 18 54 28 o -1.478000      1.495000      ?             ?      
1 1 1 18 54 29 o 2.670000       1.515000      ?             ?      
1 1 1 18 54 30 o -0.2381000     1.491000      ?             ?      
1 1 1 18 54 31 o -2.461000      2.137000      ?             ?      
1 1 1 18 54 32 o 1.312000       2.124000      ?             ?      
1 1 1 18 54 33 o -1.348000      1.595000      ?             ?      
1 1 1 18 54 34 o 2.095000       1.619000      ?             ?      
1 1 1 18 54 35 o -4.163000      4.421000      ?             ?      
1 1 1 18 54 36 o -1.618000      2.361000      ?             ?      
1 1 1 18 54 37 o -1.560000      2.291000      ?             ?      
1 1 1 18 54 38 o 1.015000       2.350000      ?             ?      
1 1 1 18 55 0  o -1.676000      1.419000      ?             ?      
1 1 1 18 55 1  o -0.3692000     0.9497000     ?             ?      
1 1 1 18 55 2  o 1.403000       0.8423000     ?             ?      
1 1 1 18 55 3  o -0.3126000     0.9153000     ?             ?      
1 1 1 18 55 4  o 1.189000       0.8975000     ?             ?      
1 1 1 18 55 5  o -1.208000      0.9260000     ?             ?      
1 1 1 18 55 6  o -0.2018000     0.9660000     ?             ?      
1 1 1 18 55 7  o 1.969000       1.039000      ?             ?      
1 1 1 18 55 8  o -0.1213000     0.8876000     ?             ?      
1 1 1 18 55 9  o 1.888000       1.099000      ?             ?      
1 1 1 18 55 10 o -0.8383000     1.059000      ?             ?      
1 1 1 18 55 11 o -0.2673000E-01 1.056000      ?             ?      
1 1 1 18 55 12 o 0.5955000      1.079000      ?             ?      
1 1 1 18 55 13 o 0.2149000E-01  1.241000      ?             ?      
1 1 1 18 55 14 o 0.7486000      1.258000      ?             ?      
1 1 1 18 55 15 o 2.752000       1.850000      ?             ?      
1 1 1 18 55 16 o 0.3111000      1.853000      ?             ?      
1 1 1 18 55 17 o 1.282000       1.930000      ?             ?      
1 1 1 18 55 18 o -1.472000      2.099000      ?             ?      
1 1 1 18 55 19 o 1.919000       2.043000      ?             ?      
1 1 1 18 55 20 o -2.568000      2.103000      ?             ?      
1 1 1 18 55 21 o -0.9575000     2.025000      ?             ?      
1 1 1 18 55 22 o 1.269000       2.085000      ?             ?      
1 1 1 18 55 23 o 1.471000       1.471000      ?             ?      
1 1 1 18 55 24 o 1.569000       1.466000      ?             ?      
1 1 1 18 55 25 o 0.4327000      1.490000      ?             ?      
1 1 1 18 55 26 o 4.389000       1.569000      ?             ?      
1 1 1 18 55 27 o 4.170000       1.616000      ?             ?      
1 1 1 18 55 28 o 0.8491000      1.599000      ?             ?      
1 1 1 18 55 29 o 1.345000       1.626000      ?             ?      
1 1 1 18 55 30 o -0.4404000     1.629000      ?             ?      
1 1 1 18 55 31 o -0.2080000     2.110000      ?             ?      
1 1 1 18 55 32 o -1.123000      1.700000      ?             ?      
1 1 1 18 55 33 o 0.8910000      1.493000      ?             ?      
1 1 1 18 55 34 o -0.8284000     2.376000      ?             ?      
1 1 1 18 55 35 o 0.1287000      2.344000      ?             ?      
1 1 1 18 55 36 o -1.821000      2.371000      ?             ?      
1 1 1 18 55 37 o 6.120000       4.637000      ?             ?      
1 1 1 18 56 0  o 2.107000       1.434000      ?             ?      
1 1 1 18 56 1  o -0.3999000E-01 0.9309000     ?             ?      
1 1 1 18 56 2  o -0.5910000     0.8175000     ?             ?      
1 1 1 18 56 3  o -0.2838000     0.7953000     ?             ?      
1 1 1 18 56 4  o 2.859000       0.8992000     ?             ?      
1 1 1 18 56 5  o 2.131000       0.8022000     ?             ?      
1 1 1 18 56 6  o 1.138000       0.9297000     ?             ?      
1 1 1 18 56 7  o 1.033000       1.074000      ?             ?      
1 1 1 18 56 8  o 0.2714000      0.8944000     ?             ?      
1 1 1 18 56 9  o 0.9671000      1.144000      ?             ?      
1 1 1 18 56 10 o -0.6265000     1.057000      ?             ?      
1 1 1 18 56 11 o -0.1643000     1.055000      ?             ?      
1 1 1 18 56 12 o 0.1021000      1.047000      ?             ?      
1 1 1 18 56 13 o 0.2478000      1.224000      ?             ?      
1 1 1 18 56 14 o 1.665000       1.246000      ?             ?      
1 1 1 18 56 15 o 0.7914000E-01  1.365000      ?             ?      
1 1 1 18 56 16 o 3.878000       1.416000      ?             ?      
1 1 1 18 56 17 o 0.1548000      1.535000      ?             ?      
1 1 1 18 56 18 o 0.3633000      2.082000      ?             ?      
1 1 1 18 56 19 o -1.149000      0.8880000     ?             ?      
1 1 1 18 56 20 o 1.673000       1.924000      ?             ?      
1 1 1 18 56 21 o -1.351000      1.886000      ?             ?      
1 1 1 18 56 22 o 1.455000       1.492000      ?             ?      
1 1 1 18 56 23 o 0.1152000      2.098000      ?             ?      
1 1 1 18 56 24 o 1.522000       2.134000      ?             ?      
1 1 1 18 56 25 o -0.1682000     2.158000      ?             ?      
1 1 1 18 56 26 o -2.231000      2.197000      ?             ?      
1 1 1 18 56 27 o -1.823000      1.605000      ?             ?      
1 1 1 18 56 28 o -0.6374000     1.627000      ?             ?      
1 1 1 18 56 29 o 0.7792000      1.674000      ?             ?      
1 1 1 18 56 30 o -0.4379000     1.480000      ?             ?      
1 1 1 18 56 31 o 0.1288000      2.202000      ?             ?      
1 1 1 18 56 32 o 0.6073000      2.360000      ?             ?      
1 1 1 18 56 33 o -0.8795000     2.354000      ?             ?      
1 1 1 18 56 34 o -0.7562000     2.358000      ?             ?      
1 1 1 18 56 35 o -0.2909000E-01 4.473000      ?             ?      
1 1 1 18 57 0  o -1.216000      1.405000      ?             ?      
1 1 1 18 57 1  o 1.144000       0.9234000     ?             ?      
1 1 1 18 57 2  o 0.9898000      0.8036000     ?             ?      
1 1 1 18 57 3  o 2.121000       0.8155000     ?             ?      
1 1 1 18 57 4  o 0.2337000E-01  0.8755000     ?             ?      
1 1 1 18 57 5  o 1.135000       0.7913000     ?             ?      
1 1 1 18 57 6  o -0.6951000     0.9705000     ?             ?      
1 1 1 18 57 7  o -0.3167000     1.028000      ?             ?      
1 1 1 18 57 8  o 0.2436000E-01  1.099000      ?             ?      
1 1 1 18 57 9  o -0.4625000     1.142000      ?             ?      
1 1 1 18 57 10 o 1.724000       1.074000      ?             ?      
1 1 1 18 57 11 o 0.3293000      1.060000      ?             ?      
1 1 1 18 57 12 o 0.8716000      1.229000      ?             ?      
1 1 1 18 57 13 o 0.8058000      1.252000      ?             ?      
1 1 1 18 57 14 o 0.5029000      1.098000      ?             ?      
1 1 1 18 57 15 o 3.787000       1.410000      ?             ?      
1 1 1 18 57 16 o 1.330000       1.408000      ?             ?      
1 1 1 18 57 17 o -1.616000      1.477000      ?             ?      
1 1 1 18 57 18 o -2.084000      2.060000      ?             ?      
1 1 1 18 57 19 o -0.9161000     2.078000      ?             ?      
1 1 1 18 57 20 o 0.9634000      1.425000      ?             ?      
1 1 1 18 57 21 o -0.2033000     1.419000      ?             ?      
1 1 1 18 57 22 o -0.6897000     1.439000      ?             ?      
1 1 1 18 57 23 o -0.8479000     1.902000      ?             ?      
1 1 1 18 57 24 o 1.095000       2.017000      ?             ?      
1 1 1 18 57 25 o -0.6695000     2.074000      ?             ?      
1 1 1 18 57 26 o 0.3489000      1.609000      ?             ?      
1 1 1 18 57 27 o 0.4814000      2.245000      ?             ?      
1 1 1 18 57 28 o -1.405000      1.368000      ?             ?      
1 1 1 18 57 29 o -0.1599000     1.408000      ?             ?      
1 1 1 18 57 30 o 0.3209000      1.407000      ?             ?      
1 1 1 18 57 31 o -2.585000      2.366000      ?             ?      
1 1 1 18 57 32 o -1.653000      1.513000      ?             ?      
1 1 1 18 58 0  o 1.658000       1.394000      ?             ?      
1 1 1 18 58 1  o 0.1311000      0.8141000     ?             ?      
1 1 1 18 58 2  o -0.3703000     0.8064000     ?             ?      
1 1 1 18 58 3  o 0.2346000E-01  0.8762000     ?             ?      
1 1 1 18 58 4  o 0.4823000      0.8775000     ?             ?      
1 1 1 18 58 5  o -0.5839000     0.7845000     ?             ?      
1 1 1 18 58 6  o 0.2698000      0.9294000     ?             ?      
1 1 1 18 58 7  o 0.6841000      1.024000      ?             ?      
1 1 1 18 58 8  o 0.8589000      1.085000      ?             ?      
1 1 1 18 58 9  o -1.131000      1.062000      ?             ?      
1 1 1 18 58 10 o 0.2123000      1.063000      ?             ?      
1 1 1 18 58 11 o 1.410000       1.061000      ?             ?      
1 1 1 18 58 12 o 3.015000       1.233000      ?             ?      
1 1 1 18 58 13 o 2.005000       1.270000      ?             ?      
1 1 1 18 58 14 f -1.787000      1.126000      ?             ?      
1 1 1 18 58 15 o 1.671000       1.391000      ?             ?      
1 1 1 18 58 16 o 0.1132000      1.478000      ?             ?      
1 1 1 18 58 17 o 3.894000       2.080000      ?             ?      
1 1 1 18 58 18 o 1.086000       2.087000      ?             ?      
1 1 1 18 58 19 f 1.548000       1.436000      ?             ?      
1 1 1 18 58 20 o 2.025000       1.440000      ?             ?      
1 1 1 18 58 21 o 2.197000       1.458000      ?             ?      
1 1 1 18 58 22 o 1.165000       1.465000      ?             ?      
1 1 1 18 58 23 o 2.446000       1.593000      ?             ?      
1 1 1 18 58 24 o -1.472000      1.579000      ?             ?      
1 1 1 18 58 25 o 0.5980000E-01  1.599000      ?             ?      
1 1 1 18 58 26 o -3.090000      1.622000      ?             ?      
1 1 1 18 58 27 o -1.375000      1.379000      ?             ?      
1 1 1 18 58 28 o -0.5661000     1.384000      ?             ?      
1 1 1 18 58 29 o 0.7496000      1.413000      ?             ?      
1 1 1 18 58 30 o 1.530000       1.598000      ?             ?      
1 1 1 18 59 0  o 0.8596000      1.587000      ?             ?      
1 1 1 18 59 1  o -0.8099000     0.9642000     ?             ?      
1 1 1 18 59 2  o -0.6648000     0.8148000     ?             ?      
1 1 1 18 59 3  o -0.1291000     0.7923000     ?             ?      
1 1 1 18 59 4  o 1.403000       0.8764000     ?             ?      
1 1 1 18 59 5  o 0.2182000      0.7894000     ?             ?      
1 1 1 18 59 6  o 0.2325000      0.7981000     ?             ?      
1 1 1 18 59 7  o 0.9149000      0.9881000     ?             ?      
1 1 1 18 59 8  o 0.1919000      1.092000      ?             ?      
1 1 1 18 59 9  o -1.738000      1.040000      ?             ?      
1 1 1 18 59 10 o 1.449000       1.061000      ?             ?      
1 1 1 18 59 11 o -2.910000      1.223000      ?             ?      
1 1 1 18 59 12 o 0.5235000      1.206000      ?             ?      
1 1 1 18 59 13 o 1.570000       1.106000      ?             ?      
1 1 1 18 59 14 o 0.2136000      1.108000      ?             ?      
1 1 1 18 59 15 o 0.2740000      1.413000      ?             ?      
1 1 1 18 59 16 o 2.855000       1.525000      ?             ?      
1 1 1 18 59 17 o -1.164000      2.093000      ?             ?      
1 1 1 18 59 18 o -0.9381000E-01 2.079000      ?             ?      
1 1 1 18 59 19 o -0.4429000     1.425000      ?             ?      
1 1 1 18 59 20 o 1.764000       1.441000      ?             ?      
1 1 1 18 59 21 o -0.4536000     1.425000      ?             ?      
1 1 1 18 59 22 o 1.712000       2.170000      ?             ?      
1 1 1 18 59 23 o -0.3729000     2.223000      ?             ?      
1 1 1 18 59 24 o -1.685000      2.238000      ?             ?      
1 1 1 18 59 25 o 1.799000       2.338000      ?             ?      
1 1 1 18 59 26 o 0.3161000      2.285000      ?             ?      
1 1 1 18 59 27 o -0.5138000     2.323000      ?             ?      
1 1 1 18 60 0  o 2.012000       1.601000      ?             ?      
1 1 1 18 60 1  o -0.6530000E-01 0.9692000     ?             ?      
1 1 1 18 60 2  o 1.472000       0.8243000     ?             ?      
1 1 1 18 60 3  o 0.2107000      0.8225000     ?             ?      
1 1 1 18 60 4  o 0.1918000      0.8845000     ?             ?      
1 1 1 18 60 5  o 0.6242000E-01  0.8835000     ?             ?      
1 1 1 18 60 6  o -0.1849000     0.8234000     ?             ?      
1 1 1 18 60 7  o 0.4476000      1.063000      ?             ?      
1 1 1 18 60 8  o 0.7624000      1.210000      ?             ?      
1 1 1 18 60 9  o 1.861000       1.084000      ?             ?      
1 1 1 18 60 10 o -0.5382000     1.092000      ?             ?      
1 1 1 18 60 11 o -3.191000      1.224000      ?             ?      
1 1 1 18 60 12 o -1.841000      1.242000      ?             ?      
1 1 1 18 60 13 o -0.7100000     1.111000      ?             ?      
1 1 1 18 60 14 o 1.634000       1.402000      ?             ?      
1 1 1 18 60 15 o -0.6268000     1.429000      ?             ?      
1 1 1 18 60 16 o 2.530000       1.344000      ?             ?      
1 1 1 18 60 17 o -0.5338000     2.108000      ?             ?      
1 1 1 18 60 18 o 2.196000       2.155000      ?             ?      
1 1 1 18 60 19 o -1.139000      0.8198000     ?             ?      
1 1 1 18 60 20 o -0.8514000     2.169000      ?             ?      
1 1 1 18 60 21 o 1.577000       2.188000      ?             ?      
1 1 1 18 60 22 o -0.7322000     2.160000      ?             ?      
1 1 1 18 60 23 o -1.531000      2.199000      ?             ?      
1 1 1 18 60 24 o 1.395000       2.289000      ?             ?      
1 1 1 18 61 0  o -0.3159000E-01 1.601000      ?             ?      
1 1 1 18 61 1  o 0.9982000      1.006000      ?             ?      
1 1 1 18 61 2  o -0.1320000     0.8696000     ?             ?      
1 1 1 18 61 3  o 0.4129000      0.8991000     ?             ?      
1 1 1 18 61 4  o -0.4331000     1.012000      ?             ?      
1 1 1 18 61 5  o 1.372000       1.027000      ?             ?      
1 1 1 18 61 6  o 0.9775000      0.8716000     ?             ?      
1 1 1 18 61 7  o -1.748000      1.814000      ?             ?      
1 1 1 18 61 8  o 1.510000       1.375000      ?             ?      
1 1 1 18 61 9  o -1.809000      1.296000      ?             ?      
1 1 1 18 61 10 o -2.808000      3.052000      ?             ?      
1 1 1 18 61 11 o 0.7693000      1.624000      ?             ?      
1 1 1 18 61 12 o 0.9794000      1.619000      ?             ?      
1 1 1 18 61 13 o 0.6065000E-01  1.298000      ?             ?      
1 1 1 18 61 14 o -1.988000      2.070000      ?             ?      
1 1 1 18 61 15 o 2.082000       2.134000      ?             ?      
1 1 1 18 61 16 o -0.3117000     2.120000      ?             ?      
1 1 1 18 61 17 o -0.6645000     2.066000      ?             ?      
1 1 1 18 61 18 o -4.426000      2.089000      ?             ?      
1 1 1 18 61 19 o -0.1740000     0.8920000     ?             ?      
1 1 1 18 61 20 o -1.284000      1.296000      ?             ?      
1 1 1 18 61 21 o 4.640000       2.282000      ?             ?      
1 1 1 18 62 0  o 1.642000       1.622000      ?             ?      
1 1 1 18 62 1  o 2.097000       1.016000      ?             ?      
1 1 1 18 62 2  o 0.6231000      1.012000      ?             ?      
1 1 1 18 62 3  o 2.003000       0.8786000     ?             ?      
1 1 1 18 62 4  o -0.2556000     1.108000      ?             ?      
1 1 1 18 62 5  o 0.9461000      1.011000      ?             ?      
1 1 1 18 62 6  o 0.2460000      0.8272000     ?             ?      
1 1 1 18 62 7  o 0.6795000      1.120000      ?             ?      
1 1 1 18 62 8  o -0.1362000     1.320000      ?             ?      
1 1 1 18 62 9  f 1.871000       1.305000      ?             ?      
1 1 1 18 62 10 o 1.328000       1.650000      ?             ?      
1 1 1 18 62 11 o -0.3753000     0.9374000     ?             ?      
1 1 1 18 62 12 o 0.3057000      1.294000      ?             ?      
1 1 1 18 62 13 o -0.9452000     2.479000      ?             ?      
1 1 1 18 62 14 o 2.705000       2.130000      ?             ?      
1 1 1 18 62 15 o 0.5818000      1.343000      ?             ?      
1 1 1 18 62 16 o 0.5172000      2.140000      ?             ?      
1 1 1 18 62 17 o 1.740000       2.304000      ?             ?      
1 1 1 18 63 0  o 0.5038000      1.602000      ?             ?      
1 1 1 18 63 1  o -0.9941000     0.9775000     ?             ?      
1 1 1 18 63 2  o -0.2331000     0.9111000     ?             ?      
1 1 1 18 63 3  o 0.1707000      0.8143000     ?             ?      
1 1 1 18 63 4  o 1.019000       0.8090000     ?             ?      
1 1 1 18 63 5  o -0.6253000     0.8888000     ?             ?      
1 1 1 18 63 6  o 1.086000       0.8047000     ?             ?      
1 1 1 18 63 7  o 0.9987000      1.029000      ?             ?      
1 1 1 18 63 8  o 0.8338000      1.471000      ?             ?      
1 1 1 18 63 9  o 1.528000       1.777000      ?             ?      
1 1 1 18 63 10 o 0.8513000      1.816000      ?             ?      
1 1 1 18 63 11 o -1.778000      1.799000      ?             ?      
1 1 1 19 0  1  o -1.904000      0.7663000     70.50510      90.0   
1 1 1 19 0  3  o 0.9333000      0.7731000     150.3640      90.0   
1 1 1 19 0  4  o 2.975000       0.7753000     53.67713      -0.0   
1 1 1 19 0  5  o 1.510000       0.7422000     107.3082      -90.0  
1 1 1 19 0  6  o -0.5832000     0.7374000     141.1397      180.0  
1 1 1 19 0  7  o 0.6347000      0.8110000     105.6815      -90.0  
1 1 1 19 0  8  o -0.6397000     0.8378000     31.74815      180.0  
1 1 1 19 0  9  o -1.637000      0.7933000     149.2054      -90.0  
1 1 1 19 0  10 o -0.2920000     0.7999000     49.71679      -0.0   
1 1 1 19 0  11 o -0.5259000     0.8142000     240.4137      90.0   
1 1 1 19 0  12 o -0.7081000     0.8401000     94.62043      -180.0 
1 1 1 19 0  13 o -0.3444000     0.8978000     140.0450      90.0   
1 1 1 19 0  14 o 0.7840000      0.9851000     25.76305      180.0  
1 1 1 19 0  15 o -0.5477000     1.020000      176.1064      -90.0  
1 1 1 19 0  16 o -0.5238000     1.080000      42.55881      180.0  
1 1 1 19 0  17 o 3.832000       1.194000      374.7810      90.0   
1 1 1 19 0  18 o 1.121000       1.258000      95.20499      -180.0 
1 1 1 19 0  19 o 4.843000       1.469000      20.86526      -90.0  
1 1 1 19 0  20 o 3.452000       2.221000      207.0622      180.0  
1 1 1 19 0  21 o 3.135000       2.361000      226.9873      90.0   
1 1 1 19 0  22 o 1.282000       3.301000      22.41829      180.0  
1 1 1 19 0  23 o 4.751000       2.008000      89.87649      -90.0  
1 1 1 19 0  24 o 2.118000       1.657000      132.1208      0.0    
1 1 1 19 0  25 o -1.045000      1.625000      48.00010      90.0   
1 1 1 19 0  26 o 3.237000       1.622000      59.11597      180.0  
1 1 1 19 0  27 o 7.014000       1.862000      65.80495      -90.0  
1 1 1 19 0  28 o 1.512000       1.502000      8.404440      -180.0 
1 1 1 19 0  29 o 3.984000       1.542000      142.7685      90.0   
1 1 1 19 0  30 o 1.654000       1.448000      4.699077      0.0    
1 1 1 19 0  31 o -3.287000      1.423000      21.50803      90.0   
1 1 1 19 0  32 o -1.916000      1.406000      299.8978      180.0  
1 1 1 19 0  33 o 4.788000       1.471000      46.75933      -90.0  
1 1 1 19 0  34 o 1.100000       1.453000      205.4849      180.0  
1 1 1 19 0  35 o -1.872000      1.442000      114.2979      90.0   
1 1 1 19 0  36 o 2.674000       1.447000      30.83596      -0.0   
1 1 1 19 0  37 o 0.6733000      1.426000      31.72399      -90.0  
1 1 1 19 0  38 o 2.806000       1.470000      88.01501      -0.0   
1 1 1 19 0  39 o 0.1163000      1.470000      8.820554      -90.0  
1 1 1 19 0  40 o -1.792000      1.512000      126.3230      180.0  
1 1 1 19 0  41 o 2.879000       1.815000      196.4372      -90.0  
1 1 1 19 0  42 o -6.590000      2.312000      54.42737      0.0    
1 1 1 19 0  43 o 3.576000       2.445000      188.1544      90.0   
1 1 1 19 0  44 o 1.336000       3.428000      143.5263      0.0    
1 1 1 19 0  45 o -0.6268000E-01 2.038000      36.83197      -90.0  
1 1 1 19 0  46 o 2.362000       1.725000      53.37379      0.0    
1 1 1 19 0  47 o 0.3000000      1.750000      99.80060      90.0   
1 1 1 19 0  48 o 0.9052000      2.059000      159.3592      -0.0   
1 1 1 19 0  49 o 2.101000       1.906000      68.66837      90.0   
1 1 1 19 0  50 o -0.6908000     2.085000      8.708899      -180.0 
1 1 1 19 0  51 o -4.760000      2.143000      112.3904      -90.0  
1 1 1 19 0  52 o 1.589000       1.926000      153.4452      0.0    
1 1 1 19 0  53 o 1.422000       2.009000      44.70200      90.0   
1 1 1 19 0  54 o -1.451000      2.000000      44.69464      -0.0   
1 1 1 19 0  55 o -2.308000      2.009000      24.74464      90.0   
1 1 1 19 0  56 o 1.354000       2.030000      265.7180      -0.0   
1 1 1 19 0  57 o -2.853000      1.961000      ?             ?      
1 1 1 19 0  58 o 6.186000       1.985000      ?             ?      
1 1 1 19 0  59 o -1.934000      2.217000      ?             ?      
1 1 1 19 0  60 o -2.020000      2.816000      ?             ?      
1 1 1 19 0  61 o 1.946000       3.861000      ?             ?      
1 1 1 19 0  62 o -0.3928000     2.216000      ?             ?      
1 1 1 19 0  63 o 4.247000       1.888000      ?             ?      
1 1 1 19 0  64 o 0.8174000E-01  1.860000      ?             ?      
1 1 1 19 0  65 o -1.042000      1.874000      ?             ?      
1 1 1 19 0  66 o -1.555000      1.831000      ?             ?      
1 1 1 19 0  67 o 1.410000       1.861000      ?             ?      
1 1 1 19 0  68 o -1.845000      1.853000      ?             ?      
1 1 1 19 0  69 o -0.3760000     1.880000      ?             ?      
1 1 1 19 0  70 o 0.3714000      1.930000      ?             ?      
1 1 1 19 0  71 o -2.250000      1.921000      ?             ?      
1 1 1 19 0  72 o 0.5961000      1.986000      ?             ?      
1 1 1 19 1  0  o 0.5846000      0.7581000     22.32999      90.0   
1 1 1 19 1  1  o 0.1217000E-01  0.5519000     275.8947      -109.7 
1 1 1 19 1  2  o 0.2304000      0.5432000     93.10149      -158.0 
1 1 1 19 1  3  o -0.2233000     0.5386000     128.5523      137.2  
1 1 1 19 1  4  o 3.037000       0.6099000     337.7782      14.3   
1 1 1 19 1  5  o -0.4054000E-01 0.5273000     219.7723      102.9  
1 1 1 19 1  6  o 1.771000       0.5495000     499.7679      143.3  
1 1 1 19 1  7  o 2.687000       0.5764000     506.4698      -37.6  
1 1 1 19 1  8  o 4.544000       0.6402000     381.7817      -32.9  
1 1 1 19 1  9  o -0.5056000     0.5639000     85.57356      143.0  
1 1 1 19 1  10 o -0.5416000     0.5770000     131.3405      -103.7 
1 1 1 19 1  11 o 0.1867000E-01  0.5854000     145.5766      34.2   
1 1 1 19 1  12 o 1.418000       0.6092000     113.0537      125.6  
1 1 1 19 1  13 o 0.8062000      0.6388000     221.0397      162.1  
1 1 1 19 1  14 o -0.4302000E-01 0.6814000     66.71826      -58.2  
1 1 1 19 1  15 o 1.764000       0.7324000     168.0459      -29.8  
1 1 1 19 1  16 o 7.374000       0.8088000     473.1819      -133.2 
1 1 1 19 1  17 o -1.436000      0.8288000     242.4903      -122.1 
1 1 1 19 1  18 o 6.570000       0.9752000     560.3685      -19.4  
1 1 1 19 1  19 o -0.1112000     1.038000      154.7916      77.9   
1 1 1 19 1  20 o 2.895000       1.345000      497.7942      -118.5 
1 1 1 19 1  21 o -1.176000      2.038000      82.75422      35.3   
1 1 1 19 1  22 o 1.174000       2.033000      287.4883      -164.2 
1 1 1 19 1  23 o 3.294000       1.447000      341.1138      -167.0 
1 1 1 19 1  24 o 2.055000       1.307000      107.0298      -24.0  
1 1 1 19 1  25 o 6.373000       1.183000      269.1366      -89.0  
1 1 1 19 1  26 o 1.327000       1.160000      55.45474      98.0   
1 1 1 19 1  27 o 1.571000       1.122000      220.1624      131.2  
1 1 1 19 1  28 o 3.880000       1.072000      180.0072      -39.9  
1 1 1 19 1  29 o -0.1465000     1.043000      222.4377      150.6  
1 1 1 19 1  30 o 1.476000       1.039000      85.89795      155.5  
1 1 1 19 1  31 o 3.234000       1.038000      466.3965      -10.7  
1 1 1 19 1  32 o 3.994000       1.013000      279.1184      163.3  
1 1 1 19 1  33 o 1.888000       1.094000      48.49597      -159.1 
1 1 1 19 1  34 o 3.168000       1.040000      153.5948      -17.5  
1 1 1 19 1  35 o 1.414000       1.017000      109.0154      -95.0  
1 1 1 19 1  36 o 1.624000       1.021000      214.1581      -40.3  
1 1 1 19 1  37 o -0.4096000     1.014000      63.29111      14.7   
1 1 1 19 1  38 o 1.017000       1.130000      49.24987      16.4   
1 1 1 19 1  39 o -0.2364000     1.141000      112.1915      -102.1 
1 1 1 19 1  40 o 1.782000       1.074000      191.3941      17.1   
1 1 1 19 1  41 o 0.1899000E-01  1.312000      121.9749      -146.1 
1 1 1 19 1  42 o 0.1751000      1.582000      21.61996      43.4   
1 1 1 19 1  43 o -3.312000      1.952000      100.7760      43.3   
1 1 1 19 1  44 o -2.800000      1.896000      173.9858      126.3  
1 1 1 19 1  45 o 1.973000       1.432000      209.8438      -104.5 
1 1 1 19 1  46 o 0.2030000E-01  1.400000      60.52682      73.0   
1 1 1 19 1  47 o 2.365000       1.349000      191.0481      -148.8 
1 1 1 19 1  48 o 2.071000       1.379000      170.0436      178.8  
1 1 1 19 1  49 o 2.745000       1.406000      76.35680      45.6   
1 1 1 19 1  50 o -1.102000      1.417000      54.54680      7.4    
1 1 1 19 1  51 o 1.371000       1.435000      100.1166      26.8   
1 1 1 19 1  52 o -1.739000      1.391000      144.7109      -136.9 
1 1 1 19 1  53 o 5.540000       1.535000      167.6898      -138.0 
1 1 1 19 1  54 o -1.231000      1.439000      43.58010      179.4  
1 1 1 19 1  55 o -2.369000      1.418000      133.2720      150.4  
1 1 1 19 1  56 o -1.976000      1.422000      117.2498      55.9   
1 1 1 19 1  57 o -2.456000      1.400000      ?             ?      
1 1 1 19 1  58 o -1.151000      1.473000      ?             ?      
1 1 1 19 1  59 o -1.278000      1.601000      ?             ?      
1 1 1 19 1  60 o 2.963000       2.271000      ?             ?      
1 1 1 19 1  61 o 0.4476000      2.169000      ?             ?      
1 1 1 19 1  62 o 0.2322000      1.453000      ?             ?      
1 1 1 19 1  63 o 0.2910000      1.319000      ?             ?      
1 1 1 19 1  64 o 0.5328000      1.310000      ?             ?      
1 1 1 19 1  65 o -0.9963000     1.317000      ?             ?      
1 1 1 19 1  66 o 0.4847000      1.314000      ?             ?      
1 1 1 19 1  67 f -0.1955000     1.321000      ?             ?      
1 1 1 19 1  68 o 0.2313000      1.323000      ?             ?      
1 1 1 19 1  69 o 0.8277000      1.326000      ?             ?      
1 1 1 19 1  70 o 0.1040000      1.349000      ?             ?      
1 1 1 19 1  71 o 1.393000       1.367000      ?             ?      
1 1 1 19 1  72 o -1.787000      1.972000      ?             ?      
1 1 1 19 2  0  o 8.613000       0.9843000     394.0574      -90.0  
1 1 1 19 2  1  o 5.228000       0.7390000     374.6000      71.5   
1 1 1 19 2  2  o 0.6842000      0.5626000     158.7124      39.0   
1 1 1 19 2  3  o 6.013000       0.5983000     471.4758      -135.4 
1 1 1 19 2  4  o 5.329000       0.6320000     329.6902      107.5  
1 1 1 19 2  5  o 3.046000       0.5760000     342.7321      6.3    
1 1 1 19 2  6  o 1.821000       0.5590000     230.0361      157.7  
1 1 1 19 2  7  o 4.446000       0.5790000     471.9418      -67.8  
1 1 1 19 2  8  o 3.791000       0.5836000     412.9091      -42.5  
1 1 1 19 2  9  o 12.85000       0.7315000     435.5319      -9.5   
1 1 1 19 2  10 o 10.85000       0.6593000     609.3820      62.6   
1 1 1 19 2  11 o 11.39000       0.6742000     495.5243      -23.7  
1 1 1 19 2  12 o 7.292000       0.6602000     538.9588      117.9  
1 1 1 19 2  13 o 7.339000       0.7460000     610.4935      156.0  
1 1 1 19 2  14 o 5.274000       0.7190000     363.8805      -147.3 
1 1 1 19 2  15 o 2.642000       0.7485000     234.9791      -81.5  
1 1 1 19 2  16 o -1.769000      0.7772000     103.5275      1.2    
1 1 1 19 2  17 o 10.30000       0.8887000     361.3983      86.9   
1 1 1 19 2  18 o 0.1747000      0.9254000     240.4980      -22.0  
1 1 1 19 2  19 o -1.556000      1.131000      149.7099      77.1   
1 1 1 19 2  20 o 16.34000       1.540000      823.2169      -125.9 
1 1 1 19 2  21 o 3.499000       2.060000      518.9028      19.8   
1 1 1 19 2  22 o 6.664000       1.915000      297.6150      -70.1  
1 1 1 19 2  23 o 6.449000       1.522000      308.5680      -43.5  
1 1 1 19 2  24 o 9.099000       1.352000      617.2137      -17.4  
1 1 1 19 2  25 o 4.506000       1.308000      335.3238      -46.6  
1 1 1 19 2  26 o 9.414000       1.188000      600.3573      -4.8   
1 1 1 19 2  27 o 17.26000       1.216000      631.7204      29.9   
1 1 1 19 2  28 o 3.575000       1.060000      287.3544      -122.9 
1 1 1 19 2  29 o 5.550000       1.070000      76.64817      -160.5 
1 1 1 19 2  30 f 1.119000       1.046000      256.4821      72.3   
1 1 1 19 2  31 o 7.364000       1.072000      472.9008      -96.4  
1 1 1 19 2  32 o 1.998000       1.013000      196.5029      -157.0 
1 1 1 19 2  33 o 0.6807000      1.008000      126.3123      -100.7 
1 1 1 19 2  34 o -0.9525000E-01 1.014000      107.0337      98.5   
1 1 1 19 2  35 o 5.041000       1.048000      396.0430      98.0   
1 1 1 19 2  36 o 1.755000       1.113000      267.5901      26.0   
1 1 1 19 2  37 o 1.334000       1.111000      234.6145      130.0  
1 1 1 19 2  38 o 0.1296000      1.032000      121.1321      64.4   
1 1 1 19 2  39 o 3.747000       1.175000      219.6354      128.4  
1 1 1 19 2  40 o 2.771000       1.094000      273.1181      -55.3  
1 1 1 19 2  41 o -1.267000      1.163000      109.9554      -48.7  
1 1 1 19 2  42 o -0.4238000     1.477000      169.1356      157.3  
1 1 1 19 2  43 o 2.165000       1.903000      222.7036      -170.7 
1 1 1 19 2  44 o 1.240000       1.909000      220.1734      -16.0  
1 1 1 19 2  45 o -1.492000      1.440000      75.06968      -43.3  
1 1 1 19 2  46 o 4.027000       1.616000      440.1519      -85.3  
1 1 1 19 2  47 o -0.3310000     1.260000      45.74588      -161.4 
1 1 1 19 2  48 f 0.5376000      1.352000      114.3222      91.2   
1 1 1 19 2  49 o -0.4761000     1.367000      71.07186      -9.1   
1 1 1 19 2  50 o 0.2923000      1.298000      85.46103      152.4  
1 1 1 19 2  51 o 1.239000       1.339000      108.6625      61.9   
1 1 1 19 2  52 o 1.114000       1.489000      28.02170      -63.7  
1 1 1 19 2  53 o 0.9945000      1.544000      244.8597      123.0  
1 1 1 19 2  54 o 0.1556000      1.425000      187.0039      5.5    
1 1 1 19 2  55 o 4.400000       1.544000      271.3985      41.4   
1 1 1 19 2  56 o 0.4478000      1.527000      181.0731      -3.5   
1 1 1 19 2  57 o 2.484000       1.398000      ?             ?      
1 1 1 19 2  58 o 1.557000       1.464000      ?             ?      
1 1 1 19 2  59 o -3.647000      1.884000      ?             ?      
1 1 1 19 2  60 o 1.237000       2.165000      ?             ?      
1 1 1 19 2  61 o 3.413000       2.195000      ?             ?      
1 1 1 19 2  62 o -0.1570000     1.539000      ?             ?      
1 1 1 19 2  63 o -1.792000      1.421000      ?             ?      
1 1 1 19 2  64 o -1.785000      1.291000      ?             ?      
1 1 1 19 2  65 o -0.1132000     1.301000      ?             ?      
1 1 1 19 2  66 o 1.521000       1.318000      ?             ?      
1 1 1 19 2  67 o 2.573000       1.330000      ?             ?      
1 1 1 19 2  68 o 1.832000       1.313000      ?             ?      
1 1 1 19 2  69 o 0.7592000      1.330000      ?             ?      
1 1 1 19 2  70 o 0.1226000      1.345000      ?             ?      
1 1 1 19 2  71 o 0.5572000      1.377000      ?             ?      
1 1 1 19 2  72 o 0.9258000      1.510000      ?             ?      
1 1 1 19 3  0  o -0.1285000     0.7904000     189.3943      90.0   
1 1 1 19 3  1  o 23.66000       0.7697000     1268.787      -113.5 
1 1 1 19 3  2  o 29.82000       1.023000      1058.662      86.3   
1 1 1 19 3  3  o 10.59000       0.9291000     585.2865      -14.8  
1 1 1 19 3  4  o 24.75000       0.9214000     1275.744      3.1    
1 1 1 19 3  5  o 63.05000       1.554000      1533.105      177.7  
1 1 1 19 3  6  o 15.99000       0.8106000     787.4267      85.1   
1 1 1 19 3  7  o 21.68000       0.7499000     1117.675      -40.7  
1 1 1 19 3  8  o 14.31000       0.6748000     502.3723      13.6   
1 1 1 19 3  9  o 13.51000       0.7112000     809.1463      131.9  
1 1 1 19 3  10 o 15.22000       0.7911000     761.8644      -48.1  
1 1 1 19 3  11 o 6.654000       0.6843000     518.3286      -82.6  
1 1 1 19 3  12 o 17.66000       0.8535000     742.8688      -28.7  
1 1 1 19 3  13 o 7.046000       0.7049000     847.6480      -74.6  
1 1 1 19 3  14 o 23.12000       0.8998000     740.0987      142.7  
1 1 1 19 3  15 o 27.97000       1.315000      1011.152      -82.6  
1 1 1 19 3  16 o 59.04000       1.789000      1126.974      -154.3 
1 1 1 19 3  17 o 7.283000       0.8682000     737.7221      25.9   
1 1 1 19 3  18 o -0.4930000     0.9707000     170.1977      -128.5 
1 1 1 19 3  19 o 17.88000       1.250000      737.3975      -64.9  
1 1 1 19 3  20 o 4.455000       1.398000      274.8137      -26.0  
1 1 1 19 3  21 o 17.93000       1.600000      761.2152      31.1   
1 1 1 19 3  22 o 4.534000       1.948000      158.6275      159.2  
1 1 1 19 3  23 o 6.676000       1.384000      229.8480      -90.6  
1 1 1 19 3  24 o 20.15000       1.528000      773.2119      18.1   
1 1 1 19 3  25 o 1.315000       1.283000      143.0836      125.5  
1 1 1 19 3  26 o 17.54000       1.222000      905.6177      152.0  
1 1 1 19 3  27 o 1.732000       1.100000      289.1813      -164.8 
1 1 1 19 3  28 o 1.772000       1.063000      240.7408      -103.5 
1 1 1 19 3  29 o 6.092000       1.069000      83.08038      131.0  
1 1 1 19 3  30 o 6.482000       1.075000      265.7034      4.1    
1 1 1 19 3  31 o 27.31000       1.287000      981.1462      14.4   
1 1 1 19 3  32 o 18.49000       1.144000      509.1051      -176.1 
1 1 1 19 3  33 o 6.554000       1.146000      328.7999      -10.2  
1 1 1 19 3  34 o 5.510000       1.143000      316.8397      -6.5   
1 1 1 19 3  35 o 7.775000       1.082000      544.2996      -132.4 
1 1 1 19 3  36 o 0.5269000      1.116000      138.5214      -97.2  
1 1 1 19 3  37 o 5.434000       1.142000      260.9003      134.3  
1 1 1 19 3  38 o 2.287000       1.047000      309.8550      -106.8 
1 1 1 19 3  39 o 3.585000       1.060000      201.3473      -21.7  
1 1 1 19 3  40 o 0.3624000      1.151000      58.14977      33.8   
1 1 1 19 3  41 o 2.506000       1.331000      194.5204      -129.6 
1 1 1 19 3  42 o 8.920000       1.442000      422.7188      -75.2  
1 1 1 19 3  43 o 1.860000       1.342000      132.0935      -46.7  
1 1 1 19 3  44 o 5.428000       1.373000      321.4112      21.4   
1 1 1 19 3  45 o 2.574000       1.474000      262.6968      66.4   
1 1 1 19 3  46 o 5.312000       1.361000      364.5368      74.7   
1 1 1 19 3  47 o 1.261000       1.238000      77.03501      -41.7  
1 1 1 19 3  48 o 0.1550000      1.354000      57.82228      -29.8  
1 1 1 19 3  49 o -0.8569000     1.377000      84.96794      -151.3 
1 1 1 19 3  50 o 0.6685000      1.307000      26.93935      -158.4 
1 1 1 19 3  51 o 1.552000       1.447000      192.5428      -118.0 
1 1 1 19 3  52 o 1.394000       1.388000      149.4827      -129.5 
1 1 1 19 3  53 o 9.573000       1.466000      379.1438      143.0  
1 1 1 19 3  54 o 1.213000       1.413000      229.3484      79.2   
1 1 1 19 3  55 o 1.729000       1.513000      150.1184      -7.8   
1 1 1 19 3  56 o -1.426000      1.493000      20.99518      86.8   
1 1 1 19 3  57 o 1.999000       1.488000      ?             ?      
1 1 1 19 3  58 o -0.4836000     1.472000      ?             ?      
1 1 1 19 3  59 o 1.873000       1.614000      ?             ?      
1 1 1 19 3  60 o 0.2855000      1.571000      ?             ?      
1 1 1 19 3  61 o 1.106000       2.276000      ?             ?      
1 1 1 19 3  62 o -1.725000      1.618000      ?             ?      
1 1 1 19 3  63 o 0.5517000      1.420000      ?             ?      
1 1 1 19 3  64 o 1.357000       1.307000      ?             ?      
1 1 1 19 3  65 o -0.2523000     1.309000      ?             ?      
1 1 1 19 3  66 o 1.633000       1.309000      ?             ?      
1 1 1 19 3  67 o 0.8017000      1.333000      ?             ?      
1 1 1 19 3  68 o 2.664000       1.327000      ?             ?      
1 1 1 19 3  69 o -0.3649000     1.320000      ?             ?      
1 1 1 19 3  70 o -0.8051000     1.349000      ?             ?      
1 1 1 19 3  71 o 1.012000       1.371000      ?             ?      
1 1 1 19 3  72 o -1.067000      1.493000      ?             ?      
1 1 1 19 4  0  o 2.769000       0.7899000     605.6528      90.0   
1 1 1 19 4  1  o 8.410000       0.6195000     445.0953      129.6  
1 1 1 19 4  2  o 1.942000       0.7037000     344.8198      -124.4 
1 1 1 19 4  3  o 27.82000       0.8581000     658.5826      -162.3 
1 1 1 19 4  4  o 5.764000       0.6388000     424.6906      28.6   
1 1 1 19 4  5  o 8.460000       0.6494000     764.1448      89.8   
1 1 1 19 4  6  o 37.30000       0.9609000     1093.856      -126.2 
1 1 1 19 4  7  o 38.20000       1.125000      933.5796      -131.2 
1 1 1 19 4  8  o 15.71000       0.6751000     569.7289      -7.7   
1 1 1 19 4  9  o 97.76000       2.269000      1727.820      17.6   
1 1 1 19 4  10 o 48.07000       1.482000      1299.836      109.0  
1 1 1 19 4  11 o 41.70000       1.166000      884.1910      36.1   
1 1 1 19 4  12 o 59.41000       1.694000      1540.527      89.7   
1 1 1 19 4  13 o 11.82000       0.7752000     820.8874      -131.4 
1 1 1 19 4  14 o 18.54000       0.9411000     678.3514      -42.3  
1 1 1 19 4  15 o 7.867000       0.8024000     642.9706      -93.9  
1 1 1 19 4  16 o 22.15000       0.9922000     747.2667      26.3   
1 1 1 19 4  17 o 33.76000       1.345000      802.1227      -107.2 
1 1 1 19 4  18 o 3.434000       1.007000      284.3950      63.4   
1 1 1 19 4  19 o 12.96000       1.347000      456.4398      -158.9 
1 1 1 19 4  20 o 2.868000       1.358000      251.5753      -29.9  
1 1 1 19 4  21 o 103.8000       3.137000      1835.213      78.7   
1 1 1 19 4  22 o 7.545000       1.446000      530.8200      91.0   
1 1 1 19 4  23 o 25.55000       1.596000      810.7133      -129.2 
1 1 1 19 4  24 o 18.60000       1.648000      768.1302      -15.2  
1 1 1 19 4  25 o 2.762000       1.293000      328.2513      -86.1  
1 1 1 19 4  26 o 30.42000       1.487000      743.2985      -51.0  
1 1 1 19 4  27 o 20.58000       1.215000      682.6024      126.3  
1 1 1 19 4  28 o 12.35000       1.128000      381.8816      -22.7  
1 1 1 19 4  29 o 17.01000       1.144000      522.4758      100.5  
1 1 1 19 4  30 o 9.921000       1.086000      456.3932      143.2  
1 1 1 19 4  31 o 1.343000       1.142000      203.4996      -135.7 
1 1 1 19 4  32 o 1.933000       1.125000      258.4651      129.3  
1 1 1 19 4  33 o 3.090000       1.023000      287.8337      -70.6  
1 1 1 19 4  34 o 6.398000       1.128000      278.8027      -58.3  
1 1 1 19 4  35 o 2.688000       1.124000      221.0583      -49.2  
1 1 1 19 4  36 o 6.867000       1.053000      339.4206      -44.1  
1 1 1 19 4  37 o 11.50000       1.102000      433.2985      -132.1 
1 1 1 19 4  38 o 5.148000       1.141000      290.9239      109.7  
1 1 1 19 4  39 o 3.367000       1.138000      350.5102      73.2   
1 1 1 19 4  40 o 7.334000       1.175000      424.4287      -38.3  
1 1 1 19 4  41 o 2.136000       1.630000      142.5758      104.0  
1 1 1 19 4  42 o 1.944000       1.405000      249.1297      118.2  
1 1 1 19 4  43 o 10.98000       1.387000      609.3008      162.6  
1 1 1 19 4  44 o 5.548000       1.365000      399.2536      -154.5 
1 1 1 19 4  45 o 1.760000       1.480000      292.0355      -154.1 
1 1 1 19 4  46 o 0.9307000      1.394000      69.06169      -170.3 
1 1 1 19 4  47 o -0.5242000     1.307000      77.18224      80.7   
1 1 1 19 4  48 o 2.560000       1.249000      232.9180      140.8  
1 1 1 19 4  49 o 2.730000       1.270000      210.9055      67.0   
1 1 1 19 4  50 o -0.3925000     1.398000      79.55537      -148.3 
1 1 1 19 4  51 o 1.751000       1.448000      135.5249      115.3  
1 1 1 19 4  52 o 15.24000       1.508000      623.2263      -149.8 
1 1 1 19 4  53 o 2.030000       1.526000      246.5633      89.6   
1 1 1 19 4  54 o 7.748000       1.549000      425.2060      -75.3  
1 1 1 19 4  55 o 2.293000       1.427000      214.6077      74.3   
1 1 1 19 4  56 o -0.3864000E-01 1.387000      36.97608      -21.8  
1 1 1 19 4  57 o 1.717000       1.555000      ?             ?      
1 1 1 19 4  58 o 0.4146000      1.649000      ?             ?      
1 1 1 19 4  59 o -0.2853000     1.801000      ?             ?      
1 1 1 19 4  60 o 9.330000       1.819000      ?             ?      
1 1 1 19 4  61 o 0.2499000      1.489000      ?             ?      
1 1 1 19 4  62 o -0.1652000     1.621000      ?             ?      
1 1 1 19 4  63 o 1.345000       1.415000      ?             ?      
1 1 1 19 4  64 o 0.7551000      1.323000      ?             ?      
1 1 1 19 4  65 o 3.358000       1.315000      ?             ?      
1 1 1 19 4  66 o 2.199000       1.323000      ?             ?      
1 1 1 19 4  67 o 2.210000       1.321000      ?             ?      
1 1 1 19 4  68 o -1.657000      1.320000      ?             ?      
1 1 1 19 4  69 o 3.493000       1.346000      ?             ?      
1 1 1 19 4  70 o 1.958000       1.365000      ?             ?      
1 1 1 19 4  71 o 3.710000       1.419000      ?             ?      
1 1 1 19 4  72 o 2.450000       1.616000      ?             ?      
1 1 1 19 5  0  o 29.64000       1.153000      1055.184      -90.0  
1 1 1 19 5  1  o 81.42000       2.003000      1299.986      92.3   
1 1 1 19 5  2  o 78.24000       1.961000      1293.523      33.0   
1 1 1 19 5  3  o 7.056000       0.6575000     407.1559      -143.1 
1 1 1 19 5  4  o 79.73000       2.566000      1309.018      40.8   
1 1 1 19 5  5  o 15.50000       0.7505000     859.8182      -162.1 
1 1 1 19 5  6  o 134.6000       3.180000      1748.940      59.3   
1 1 1 19 5  7  o 4.102000       0.6383000     218.9900      130.2  
1 1 1 19 5  8  o -0.4956000     0.5801000     60.62027      168.7  
1 1 1 19 5  9  o 106.7000       2.410000      1493.397      -169.4 
1 1 1 19 5  10 o 11.65000       0.6995000     681.6877      49.2   
1 1 1 19 5  11 o 137.2000       2.924000      1857.341      -146.4 
1 1 1 19 5  12 o 170.8000       3.889000      1565.835      36.7   
1 1 1 19 5  13 o 28.59000       1.034000      830.2738      -159.2 
1 1 1 19 5  14 o 8.763000       0.7708000     288.9658      -148.7 
1 1 1 19 5  15 o 40.28000       1.428000      952.4130      -109.7 
1 1 1 19 5  16 o 36.12000       1.182000      727.1839      -20.4  
1 1 1 19 5  17 o 23.74000       1.184000      826.7828      18.7   
1 1 1 19 5  18 o 48.86000       1.851000      1011.287      -1.7   
1 1 1 19 5  20 o 64.70000       2.044000      1218.036      82.8   
1 1 1 19 5  21 o 8.093000       1.284000      684.1984      88.4   
1 1 1 19 5  22 o 5.422000       1.229000      385.8333      -71.5  
1 1 1 19 5  23 o 2.209000       1.350000      465.4876      -118.0 
1 1 1 19 5  24 o 33.15000       1.815000      867.4001      20.7   
1 1 1 19 5  25 o 20.53000       1.480000      898.1644      160.3  
1 1 1 19 5  26 o 42.44000       1.634000      831.1946      170.1  
1 1 1 19 5  27 o 2.847000       1.084000      352.4854      70.9   
1 1 1 19 5  28 o 71.34000       2.064000      1154.278      -177.4 
1 1 1 19 5  29 o 53.56000       1.753000      1103.824      -148.1 
1 1 1 19 5  30 o 5.895000       1.051000      319.4857      -51.4  
1 1 1 19 5  31 o 29.64000       1.380000      727.6173      -18.7  
1 1 1 19 5  32 o 9.698000       1.325000      682.5071      136.4  
1 1 1 19 5  33 o 13.22000       1.091000      482.1030      3.4    
1 1 1 19 5  34 o 1.301000       0.9935000     153.6271      -150.7 
1 1 1 19 5  35 o 11.53000       1.068000      419.6422      123.1  
1 1 1 19 5  36 o 7.416000       1.108000      290.2147      79.0   
1 1 1 19 5  37 o 4.841000       1.045000      288.7922      179.5  
1 1 1 19 5  38 o 11.19000       1.186000      412.1413      -91.9  
1 1 1 19 5  39 o 4.674000       1.157000      385.2953      -142.1 
1 1 1 19 5  40 o 1.437000       1.207000      263.5319      131.4  
1 1 1 19 5  41 o 12.69000       1.376000      415.6442      -70.3  
1 1 1 19 5  42 o 11.55000       1.328000      516.8356      -86.2  
1 1 1 19 5  43 o 1.002000       1.125000      151.6358      32.7   
1 1 1 19 5  44 o 1.031000       1.248000      152.9110      -122.5 
1 1 1 19 5  45 o 5.434000       1.439000      389.2872      24.7   
1 1 1 19 5  46 o 6.551000       1.553000      355.6853      73.7   
1 1 1 19 5  47 o -0.8262000     1.320000      50.17352      -52.6  
1 1 1 19 5  48 o 12.00000       1.329000      460.3520      102.4  
1 1 1 19 5  49 o 3.113000       1.281000      261.5234      -145.3 
1 1 1 19 5  50 o 1.199000       1.307000      154.0690      -108.5 
1 1 1 19 5  51 o 16.36000       1.452000      554.7545      -53.6  
1 1 1 19 5  52 o 1.504000       1.403000      206.7157      29.5   
1 1 1 19 5  53 o 9.884000       1.588000      461.5272      112.0  
1 1 1 19 5  54 o 0.9158000      1.450000      44.48237      124.0  
1 1 1 19 5  55 o 1.782000       1.515000      418.6742      -19.4  
1 1 1 19 5  56 o 5.756000       1.495000      301.6978      139.5  
1 1 1 19 5  57 o 1.547000       1.453000      ?             ?      
1 1 1 19 5  58 o 7.154000       1.588000      ?             ?      
1 1 1 19 5  59 o 1.320000       1.494000      ?             ?      
1 1 1 19 5  60 o 1.212000       1.413000      ?             ?      
1 1 1 19 5  61 o 6.087000       1.519000      ?             ?      
1 1 1 19 5  62 o -0.1315000     2.133000      ?             ?      
1 1 1 19 5  63 o 0.1151000      1.709000      ?             ?      
1 1 1 19 5  64 o -1.039000      1.414000      ?             ?      
1 1 1 19 5  65 o 1.734000       1.310000      ?             ?      
1 1 1 19 5  66 o -1.979000      1.296000      ?             ?      
1 1 1 19 5  67 o 1.891000       1.318000      ?             ?      
1 1 1 19 5  68 o 3.601000       1.351000      ?             ?      
1 1 1 19 5  69 o 0.5080000      1.339000      ?             ?      
1 1 1 19 5  70 o 4.121000       1.387000      ?             ?      
1 1 1 19 5  71 o 2.045000       1.542000      ?             ?      
1 1 1 19 5  72 f -0.1355000     1.754000      ?             ?      
1 1 1 19 6  0  o 12.00000       1.003000      316.8191      90.0   
1 1 1 19 6  1  o 50.06000       1.536000      865.7447      119.7  
1 1 1 19 6  2  o 6.226000       0.6809000     683.9502      -161.7 
1 1 1 19 6  3  o 61.63000       1.456000      1071.168      111.0  
1 1 1 19 6  4  o 26.81000       1.259000      705.6477      101.1  
1 1 1 19 6  5  o 97.09000       1.867000      1248.904      92.8   
1 1 1 19 6  6  o 4.647000       0.6237000     578.6420      -97.7  
1 1 1 19 6  7  o 8.032000       0.6303000     454.7694      -131.2 
1 1 1 19 6  8  o 175.2000       3.480000      1894.555      -90.4  
1 1 1 19 6  9  o 9.255000       0.7160000     298.4524      119.0  
1 1 1 19 6  10 o 65.21000       1.596000      1211.331      -114.6 
1 1 1 19 6  11 o 116.4000       2.295000      1585.441      60.7   
1 1 1 19 6  12 o 10.56000       0.8979000     438.2494      158.1  
1 1 1 19 6  13 o 68.45000       1.595000      1313.164      167.3  
1 1 1 19 6  14 o 11.72000       0.9730000     400.0630      -161.7 
1 1 1 19 6  15 o 114.1000       2.554000      1150.251      19.8   
1 1 1 19 6  16 o 9.422000       0.8647000     287.7853      27.3   
1 1 1 19 6  17 o 7.205000       1.080000      460.4757      -168.0 
1 1 1 19 6  18 o 82.65000       2.759000      1162.972      29.2   
1 1 1 19 6  19 o 177.8000       4.837000      1932.618      122.8  
1 1 1 19 6  20 o 42.49000       2.078000      1203.501      44.2   
1 1 1 19 6  21 o 272.9000       6.078000      2155.302      167.3  
1 1 1 19 6  22 o 21.62000       1.335000      763.0897      150.5  
1 1 1 19 6  23 o 98.85000       3.104000      1588.530      124.3  
1 1 1 19 6  24 o 31.42000       1.660000      643.7546      20.9   
1 1 1 19 6  25 o 11.89000       1.395000      459.5382      -162.4 
1 1 1 19 6  26 o 43.55000       1.646000      1115.511      -159.3 
1 1 1 19 6  27 o 4.316000       1.185000      316.8345      -149.6 
1 1 1 19 6  28 o 40.37000       1.413000      842.1269      -59.0  
1 1 1 19 6  29 o 13.32000       1.183000      444.1796      27.2   
1 1 1 19 6  30 o 0.9449000      1.105000      163.6816      39.3   
1 1 1 19 6  31 o 23.77000       1.210000      661.5391      -174.8 
1 1 1 19 6  32 o 39.80000       1.534000      963.8024      -23.1  
1 1 1 19 6  33 o 29.66000       1.369000      991.4439      -105.5 
1 1 1 19 6  34 o 19.12000       1.234000      443.3314      -45.1  
1 1 1 19 6  35 o 14.34000       1.106000      548.6476      42.0   
1 1 1 19 6  36 o 9.997000       1.311000      476.8217      -128.6 
1 1 1 19 6  37 o 12.21000       1.182000      438.7953      -86.7  
1 1 1 19 6  38 o 6.826000       1.055000      332.4083      15.6   
1 1 1 19 6  39 o 10.10000       1.160000      447.8856      -45.0  
1 1 1 19 6  40 o 5.540000       1.300000      133.7280      -108.9 
1 1 1 19 6  41 o 4.547000       1.331000      234.9190      -103.6 
1 1 1 19 6  42 o 6.172000       1.218000      440.6071      132.4  
1 1 1 19 6  43 o 30.06000       1.404000      810.0800      136.6  
1 1 1 19 6  44 o 1.954000       1.251000      178.9396      158.9  
1 1 1 19 6  45 o 25.00000       1.632000      853.2355      -73.1  
1 1 1 19 6  46 o 9.418000       1.590000      486.5054      142.6  
1 1 1 19 6  47 o 13.66000       1.528000      656.3475      -146.4 
1 1 1 19 6  48 o 2.498000       1.334000      134.5233      -60.5  
1 1 1 19 6  49 f 4.426000       1.294000      270.2028      147.3  
1 1 1 19 6  50 o 37.10000       1.657000      842.6716      92.4   
1 1 1 19 6  51 o 2.106000       1.355000      330.2595      -169.6 
1 1 1 19 6  52 o 5.863000       1.403000      243.5140      -125.0 
1 1 1 19 6  53 o 15.62000       1.508000      637.0331      37.8   
1 1 1 19 6  54 o 22.90000       1.593000      643.5071      -138.3 
1 1 1 19 6  55 o 9.369000       1.569000      436.2308      -116.4 
1 1 1 19 6  56 o 3.698000       1.654000      ?             ?      
1 1 1 19 6  57 o 9.333000       1.926000      ?             ?      
1 1 1 19 6  58 o 1.639000       1.655000      ?             ?      
1 1 1 19 6  59 o 5.286000       1.474000      ?             ?      
1 1 1 19 6  60 o 3.998000       1.332000      ?             ?      
1 1 1 19 6  61 o 1.425000       1.462000      ?             ?      
1 1 1 19 6  62 o -3.461000      1.686000      ?             ?      
1 1 1 19 6  63 o 1.731000       1.670000      ?             ?      
1 1 1 19 6  64 o -0.3772000E-01 1.506000      ?             ?      
1 1 1 19 6  65 o 2.393000       1.406000      ?             ?      
1 1 1 19 6  66 o 0.4886000E-01  1.302000      ?             ?      
1 1 1 19 6  67 o 2.980000       1.325000      ?             ?      
1 1 1 19 6  68 o -0.7108000     1.317000      ?             ?      
1 1 1 19 6  69 o -0.6397000     1.334000      ?             ?      
1 1 1 19 6  70 o 4.335000       1.390000      ?             ?      
1 1 1 19 6  71 o 1.616000       1.490000      ?             ?      
1 1 1 19 6  72 o -2.091000      1.618000      ?             ?      
1 1 1 19 7  0  o 0.3951000      0.8375000     146.2457      -90.0  
1 1 1 19 7  1  o 376.5000       8.352000      2684.876      147.1  
1 1 1 19 7  2  o 477.9000       9.794000      2650.879      -142.6 
1 1 1 19 7  3  o 93.86000       1.982000      1672.748      95.2   
1 1 1 19 7  4  o 49.99000       1.359000      876.5402      22.1   
1 1 1 19 7  5  o 191.0000       4.624000      1992.787      80.1   
1 1 1 19 7  6  o 150.3000       2.739000      1899.515      90.1   
1 1 1 19 7  7  o 170.9000       4.114000      1727.259      -144.4 
1 1 1 19 7  8  o 44.83000       1.275000      1170.288      -23.4  
1 1 1 19 7  9  o 67.86000       1.565000      1337.104      -35.9  
1 1 1 19 7  10 o 169.2000       3.168000      1454.609      159.5  
1 1 1 19 7  11 o 14.71000       0.7846000     760.3605      101.7  
1 1 1 19 7  12 o 68.07000       1.673000      1137.275      125.4  
1 1 1 19 7  13 o 179.6000       4.039000      1992.282      -104.5 
1 1 1 19 7  14 o 52.94000       1.353000      1003.108      128.4  
1 1 1 19 7  15 o 9.738000       1.016000      487.2946      -130.8 
1 1 1 19 7  16 o 35.13000       1.291000      779.8088      39.9   
1 1 1 19 7  17 o 9.554000       0.9898000     536.7430      57.8   
1 1 1 19 7  18 o 54.77000       2.080000      1144.627      -98.5  
1 1 1 19 7  19 o -0.2940000     1.110000      421.7204      -129.9 
1 1 1 19 7  20 o 65.68000       2.139000      1188.057      -9.8   
1 1 1 19 7  21 o 172.7000       4.022000      2010.159      -140.1 
1 1 1 19 7  22 o 21.06000       1.347000      780.6216      -124.2 
1 1 1 19 7  23 o 0.7368000      1.572000      350.5773      -54.0  
1 1 1 19 7  24 o 77.81000       2.957000      1362.948      173.9  
1 1 1 19 7  25 o 222.4000       5.993000      1820.021      173.6  
1 1 1 19 7  26 o 23.66000       1.470000      626.4037      98.3   
1 1 1 19 7  27 o 42.18000       1.681000      1036.744      -47.1  
1 1 1 19 7  28 f 122.9000       3.012000      1674.119      138.8  
1 1 1 19 7  29 o 4.679000       1.005000      258.0614      6.0    
1 1 1 19 7  30 o 49.93000       1.538000      1065.782      19.9   
1 1 1 19 7  31 o 123.0000       3.013000      1575.758      124.6  
1 1 1 19 7  32 o 48.08000       1.533000      979.5297      61.2   
1 1 1 19 7  33 o 9.077000       1.139000      471.5185      104.0  
1 1 1 19 7  34 o 12.11000       1.181000      601.6326      -90.1  
1 1 1 19 7  35 o 43.62000       1.470000      927.9567      95.2   
1 1 1 19 7  36 o 1.145000       0.9940000     135.7099      94.4   
1 1 1 19 7  37 o 3.775000       1.019000      336.2661      5.6    
1 1 1 19 7  38 o 0.6071000      1.021000      55.61203      111.0  
1 1 1 19 7  39 o 5.576000       1.167000      267.1086      -49.4  
1 1 1 19 7  40 o 39.02000       1.812000      843.2660      34.2   
1 1 1 19 7  41 o 15.53000       1.334000      613.2015      -87.5  
1 1 1 19 7  42 o 27.82000       1.355000      682.4969      -119.5 
1 1 1 19 7  43 o 9.299000       1.170000      457.7255      112.1  
1 1 1 19 7  44 o 12.16000       1.228000      401.5526      21.5   
1 1 1 19 7  45 o 8.985000       1.363000      351.2920      -31.0  
1 1 1 19 7  46 o 3.773000       1.355000      322.1118      34.8   
1 1 1 19 7  47 o 0.2588000      1.395000      292.6024      134.2  
1 1 1 19 7  48 o 9.998000       1.394000      376.4471      -165.7 
1 1 1 19 7  49 o 17.64000       1.407000      631.8232      -157.6 
1 1 1 19 7  50 o 0.5979000      1.308000      112.8129      -68.0  
1 1 1 19 7  51 o 6.768000       1.368000      297.0450      69.0   
1 1 1 19 7  52 o 6.457000       1.399000      284.6944      54.3   
1 1 1 19 7  53 o 8.720000       1.446000      198.9592      -27.5  
1 1 1 19 7  54 o 6.407000       1.427000      366.2017      12.4   
1 1 1 19 7  55 o 4.568000       1.424000      292.7834      8.8    
1 1 1 19 7  56 o 1.164000       1.477000      ?             ?      
1 1 1 19 7  57 o 3.629000       1.660000      ?             ?      
1 1 1 19 7  58 o 12.75000       1.609000      ?             ?      
1 1 1 19 7  59 o 15.67000       1.458000      ?             ?      
1 1 1 19 7  60 o -0.6169000     1.381000      ?             ?      
1 1 1 19 7  61 o 13.45000       1.514000      ?             ?      
1 1 1 19 7  62 o -1.074000      1.433000      ?             ?      
1 1 1 19 7  63 o -0.2632000     1.577000      ?             ?      
1 1 1 19 7  64 o -0.5667000     1.618000      ?             ?      
1 1 1 19 7  65 o 3.383000       1.558000      ?             ?      
1 1 1 19 7  66 o 1.810000       1.380000      ?             ?      
1 1 1 19 7  67 o 8.083000       1.478000      ?             ?      
1 1 1 19 7  68 o 2.429000       1.330000      ?             ?      
1 1 1 19 7  69 o 0.6006000      1.335000      ?             ?      
1 1 1 19 7  70 o 3.535000       1.467000      ?             ?      
1 1 1 19 7  71 o 0.5440000      1.683000      ?             ?      
1 1 1 19 7  72 o -0.2449000     1.706000      ?             ?      
1 1 1 19 8  0  o 91.71000       2.849000      1227.792      -90.0  
1 1 1 19 8  1  o 59.72000       1.505000      739.4040      70.7   
1 1 1 19 8  2  o 392.9000       6.526000      2432.347      -130.9 
1 1 1 19 8  3  o 97.63000       2.051000      1387.202      124.9  
1 1 1 19 8  4  o 83.86000       2.262000      1596.690      115.1  
1 1 1 19 8  5  o 81.56000       2.524000      1218.363      100.0  
1 1 1 19 8  6  o 33.14000       0.9399000     1037.897      -118.5 
1 1 1 19 8  7  o 5.493000       0.6731000     391.5272      -128.8 
1 1 1 19 8  8  o 39.91000       1.085000      973.9038      -63.8  
1 1 1 19 8  9  o 75.44000       1.563000      1095.612      -169.6 
1 1 1 19 8  10 o 63.71000       1.823000      1238.561      -11.3  
1 1 1 19 8  11 o 16.50000       1.021000      1181.563      46.8   
1 1 1 19 8  12 o 128.0000       3.458000      1876.526      -164.3 
1 1 1 19 8  13 o 93.43000       2.265000      1272.933      -115.2 
1 1 1 19 8  14 o 14.25000       0.8727000     552.5777      -13.6  
1 1 1 19 8  15 o 6.668000       0.8927000     82.07610      -43.5  
1 1 1 19 8  16 o 39.83000       1.417000      811.0727      173.8  
1 1 1 19 8  17 o 60.54000       3.622000      1171.165      174.7  
1 1 1 19 8  18 o 88.51000       2.695000      1366.746      75.4   
1 1 1 19 8  19 o 298.4000       7.742000      2219.885      69.3   
1 1 1 19 8  20 o 18.20000       1.167000      913.2017      -16.6  
1 1 1 19 8  21 o 178.9000       4.161000      1821.493      -163.2 
1 1 1 19 8  22 o 37.42000       1.892000      1118.844      112.2  
1 1 1 19 8  23 o 14.86000       1.349000      581.0408      69.9   
1 1 1 19 8  24 o 344.4000       8.974000      2255.094      -82.4  
1 1 1 19 8  25 o 99.29000       2.920000      1312.027      -96.1  
1 1 1 19 8  26 o 94.03000       2.656000      1451.555      -82.6  
1 1 1 19 8  27 o 112.0000       2.824000      1682.555      -155.8 
1 1 1 19 8  28 o 23.76000       1.379000      646.1781      158.6  
1 1 1 19 8  29 o 29.49000       1.335000      644.3211      -91.8  
1 1 1 19 8  30 o 28.62000       1.248000      551.0058      -116.1 
1 1 1 19 8  31 o 28.97000       1.365000      1001.414      130.1  
1 1 1 19 8  32 o 7.371000       1.134000      581.5375      -113.4 
1 1 1 19 8  33 o 12.40000       1.070000      429.4652      -82.8  
1 1 1 19 8  34 o 3.753000       1.016000      190.7733      -56.3  
1 1 1 19 8  35 o 63.95000       1.777000      1081.067      41.2   
1 1 1 19 8  36 o 13.17000       1.075000      474.7896      -121.0 
1 1 1 19 8  37 o 16.64000       1.126000      580.9416      -19.6  
1 1 1 19 8  38 o 25.23000       1.313000      748.4467      125.2  
1 1 1 19 8  39 o 10.34000       1.229000      471.2243      9.3    
1 1 1 19 8  40 o 5.408000       1.294000      360.5820      23.5   
1 1 1 19 8  41 o 4.570000       1.176000      240.8085      -112.0 
1 1 1 19 8  42 o 16.66000       1.214000      564.6817      155.8  
1 1 1 19 8  43 o 5.332000       1.151000      318.0555      -149.1 
1 1 1 19 8  44 o 1.079000       1.151000      248.9206      -38.7  
1 1 1 19 8  45 o 8.217000       1.346000      406.0328      -55.0  
1 1 1 19 8  46 o 5.802000       1.474000      207.3677      85.2   
1 1 1 19 8  47 o 5.255000       1.594000      275.1117      16.3   
1 1 1 19 8  48 o 12.44000       1.567000      456.2716      -124.3 
1 1 1 19 8  49 o 3.339000       1.376000      206.1954      147.0  
1 1 1 19 8  50 o 9.179000       1.373000      482.2567      133.1  
1 1 1 19 8  51 o 3.111000       1.364000      122.7496      -7.4   
1 1 1 19 8  52 o 11.81000       1.441000      336.8730      133.5  
1 1 1 19 8  53 o 9.600000       1.437000      271.6176      58.5   
1 1 1 19 8  54 o 19.96000       1.553000      677.5020      -174.1 
1 1 1 19 8  55 o 1.038000       1.410000      164.3796      88.7   
1 1 1 19 8  56 o 17.31000       1.678000      ?             ?      
1 1 1 19 8  57 o 13.98000       1.744000      ?             ?      
1 1 1 19 8  58 o 6.573000       1.454000      ?             ?      
1 1 1 19 8  59 o 4.861000       1.350000      ?             ?      
1 1 1 19 8  60 o 2.724000       1.412000      ?             ?      
1 1 1 19 8  61 o 0.9987000      1.306000      ?             ?      
1 1 1 19 8  62 o 3.292000       1.600000      ?             ?      
1 1 1 19 8  63 o -1.263000      1.666000      ?             ?      
1 1 1 19 8  64 o 8.002000       1.666000      ?             ?      
1 1 1 19 8  65 o 3.651000       1.423000      ?             ?      
1 1 1 19 8  66 o 2.033000       1.395000      ?             ?      
1 1 1 19 8  67 o 2.553000       1.375000      ?             ?      
1 1 1 19 8  68 o 7.026000       1.455000      ?             ?      
1 1 1 19 8  69 o 1.858000       1.424000      ?             ?      
1 1 1 19 8  70 o 5.775000       1.488000      ?             ?      
1 1 1 19 8  71 o 1.128000       1.567000      ?             ?      
1 1 1 19 8  72 o -1.613000      1.570000      ?             ?      
1 1 1 19 9  0  o 62.06000       2.283000      1104.892      90.0   
1 1 1 19 9  1  o 108.1000       3.551000      1166.770      148.1  
1 1 1 19 9  2  o 496.1000       11.06000      2719.307      -92.8  
1 1 1 19 9  3  o 81.03000       2.949000      1591.751      -111.4 
1 1 1 19 9  4  o 189.9000       3.655000      1723.769      -153.0 
1 1 1 19 9  5  o 356.0000       6.906000      2578.287      98.8   
1 1 1 19 9  6  o 143.1000       2.622000      1799.994      -140.9 
1 1 1 19 9  7  o 144.9000       2.659000      1707.382      -56.6  
1 1 1 19 9  8  o 4.668000       0.7664000     231.3821      84.8   
1 1 1 19 9  9  o 182.0000       3.278000      1888.980      110.4  
1 1 1 19 9  10 o 60.03000       1.440000      1138.450      178.2  
1 1 1 19 9  11 o 80.94000       1.785000      1592.713      69.7   
1 1 1 19 9  12 o 2.797000       0.7689000     174.8662      24.1   
1 1 1 19 9  13 o 201.5000       4.150000      1725.372      -86.5  
1 1 1 19 9  14 o 157.6000       3.562000      1309.500      114.3  
1 1 1 19 9  15 o 74.18000       1.973000      1069.565      -60.6  
1 1 1 19 9  16 o 19.39000       1.351000      636.0855      -124.5 
1 1 1 19 9  17 o 259.2000       7.413000      2160.869      -131.5 
1 1 1 19 9  18 o 254.2000       6.716000      2087.607      -151.6 
1 1 1 19 9  19 o 1.434000       1.352000      241.0074      -154.0 
1 1 1 19 9  20 o 164.7000       3.544000      1925.837      -84.4  
1 1 1 19 9  21 o 162.3000       3.824000      1759.499      -148.8 
1 1 1 19 9  22 o 168.5000       4.229000      2041.062      62.7   
1 1 1 19 9  23 o 36.38000       1.533000      1064.645      8.8    
1 1 1 19 9  24 o 375.8000       8.755000      2463.586      112.6  
1 1 1 19 9  25 o 31.01000       1.613000      765.9986      -58.0  
1 1 1 19 9  26 o 26.90000       1.657000      646.1668      -36.4  
1 1 1 19 9  27 o 53.30000       1.886000      1010.892      -23.5  
1 1 1 19 9  28 o 47.70000       1.892000      948.1815      96.2   
1 1 1 19 9  29 o 9.421000       1.140000      286.6145      136.0  
1 1 1 19 9  30 o 18.00000       1.101000      515.1495      127.0  
1 1 1 19 9  31 o 23.26000       1.151000      393.2072      136.9  
1 1 1 19 9  32 o 74.78000       1.932000      1053.805      42.1   
1 1 1 19 9  33 o 24.00000       1.178000      672.6065      -124.5 
1 1 1 19 9  34 o 7.321000       1.026000      318.5022      56.3   
1 1 1 19 9  35 o 7.417000       1.019000      368.2426      68.6   
1 1 1 19 9  36 o 11.25000       1.059000      430.3826      -22.4  
1 1 1 19 9  37 o 5.878000       1.048000      217.2411      67.7   
1 1 1 19 9  38 o 33.15000       1.503000      834.3463      52.0   
1 1 1 19 9  39 o 4.488000       1.258000      154.1769      -31.1  
1 1 1 19 9  40 o 18.42000       1.335000      392.0971      28.7   
1 1 1 19 9  41 o 8.508000       1.126000      443.7157      -76.5  
1 1 1 19 9  42 o 2.265000       1.124000      219.1574      -47.0  
1 1 1 19 9  43 o 92.05000       2.371000      1372.645      80.1   
1 1 1 19 9  44 o 5.171000       1.158000      178.4535      -20.6  
1 1 1 19 9  45 o 17.79000       1.433000      641.4388      123.5  
1 1 1 19 9  46 o 14.42000       1.525000      566.8793      67.0   
1 1 1 19 9  47 o 0.3171000      1.349000      234.5083      -15.4  
1 1 1 19 9  48 o 23.17000       1.593000      677.8361      159.8  
1 1 1 19 9  49 o 12.12000       1.461000      520.6614      -75.3  
1 1 1 19 9  50 o 31.70000       1.614000      776.4229      81.4   
1 1 1 19 9  51 o 37.42000       1.719000      849.7829      -80.2  
1 1 1 19 9  52 o 3.517000       1.376000      202.7074      -91.9  
1 1 1 19 9  53 o 7.348000       1.426000      334.3513      -161.7 
1 1 1 19 9  54 o 22.30000       1.586000      663.3052      80.4   
1 1 1 19 9  55 o 5.124000       1.573000      238.9897      -66.3  
1 1 1 19 9  56 o 1.818000       1.651000      ?             ?      
1 1 1 19 9  57 o -2.187000      1.490000      ?             ?      
1 1 1 19 9  58 o 4.447000       1.331000      ?             ?      
1 1 1 19 9  59 o 14.90000       1.420000      ?             ?      
1 1 1 19 9  60 o 11.53000       1.384000      ?             ?      
1 1 1 19 9  61 o -1.516000      1.291000      ?             ?      
1 1 1 19 9  62 o 7.253000       1.558000      ?             ?      
1 1 1 19 9  63 o 0.8089000      1.521000      ?             ?      
1 1 1 19 9  64 o 8.557000       1.738000      ?             ?      
1 1 1 19 9  65 o 1.366000       1.622000      ?             ?      
1 1 1 19 9  66 o 4.119000       1.417000      ?             ?      
1 1 1 19 9  67 o 0.4183000      1.294000      ?             ?      
1 1 1 19 9  68 o 3.187000       1.396000      ?             ?      
1 1 1 19 9  69 o -0.1258000     1.397000      ?             ?      
1 1 1 19 9  70 o 2.200000       1.515000      ?             ?      
1 1 1 19 9  71 o 4.048000       1.824000      ?             ?      
1 1 1 19 9  72 o 3.402000       2.222000      ?             ?      
1 1 1 19 10 0  o 17.42000       0.9953000     37.69565      90.0   
1 1 1 19 10 1  o 12.32000       0.6885000     561.0322      -44.2  
1 1 1 19 10 2  o 172.1000       3.440000      1934.813      -32.6  
1 1 1 19 10 3  o 23.53000       1.008000      702.6984      118.4  
1 1 1 19 10 4  o 134.3000       2.809000      1467.409      128.2  
1 1 1 19 10 5  o 32.89000       0.9731000     659.6899      -149.8 
1 1 1 19 10 6  o 342.7000       5.920000      1976.502      -122.1 
1 1 1 19 10 7  o 107.7000       2.756000      1605.237      -28.4  
1 1 1 19 10 8  o 52.79000       1.288000      628.4853      27.5   
1 1 1 19 10 9  o 152.0000       2.997000      1833.529      -103.7 
1 1 1 19 10 10 o 188.3000       3.988000      1978.154      100.7  
1 1 1 19 10 11 o 26.57000       1.139000      687.4716      13.3   
1 1 1 19 10 12 o 133.6000       3.056000      1743.620      -123.3 
1 1 1 19 10 13 o 100.8000       2.400000      1242.276      -143.6 
1 1 1 19 10 14 o 56.01000       2.102000      907.9769      -0.1   
1 1 1 19 10 15 o 74.23000       2.494000      1196.423      -79.1  
1 1 1 19 10 16 o 109.6000       5.227000      1432.125      103.2  
1 1 1 19 10 17 o 76.05000       4.042000      1567.803      -59.5  
1 1 1 19 10 18 o 16.48000       1.360000      563.9433      111.8  
1 1 1 19 10 19 o 40.86000       1.535000      873.1916      16.2   
1 1 1 19 10 20 o 29.33000       1.365000      728.0540      154.3  
1 1 1 19 10 21 o 79.93000       2.077000      792.9000      139.5  
1 1 1 19 10 22 o 48.91000       2.009000      1155.841      142.1  
1 1 1 19 10 23 o 42.84000       1.648000      1064.510      -84.3  
1 1 1 19 10 24 o 101.9000       2.779000      1257.334      -72.1  
1 1 1 19 10 25 o 110.9000       2.766000      1283.989      -152.1 
1 1 1 19 10 26 o 54.35000       2.374000      1002.306      -58.7  
1 1 1 19 10 27 o 208.2000       5.669000      1813.187      -155.4 
1 1 1 19 10 28 o 52.18000       1.861000      815.8920      55.9   
1 1 1 19 10 29 o 2.403000       1.111000      153.6852      170.7  
1 1 1 19 10 30 o 24.98000       1.172000      705.9130      -110.0 
1 1 1 19 10 31 o 21.40000       1.132000      867.9200      169.3  
1 1 1 19 10 32 o 8.580000       1.025000      264.0879      -62.2  
1 1 1 19 10 33 o 5.012000       1.001000      365.3895      -118.1 
1 1 1 19 10 34 o 47.16000       1.499000      841.4326      9.7    
1 1 1 19 10 35 o 7.050000       1.009000      222.2552      117.4  
1 1 1 19 10 36 o 15.65000       1.103000      575.8439      119.4  
1 1 1 19 10 37 o 4.472000       1.048000      144.8862      -133.1 
1 1 1 19 10 38 o 0.3841000      1.116000      62.65779      94.4   
1 1 1 19 10 39 o -0.4645000     1.231000      152.5489      -9.6   
1 1 1 19 10 40 o 19.40000       1.289000      446.4887      118.6  
1 1 1 19 10 41 o 25.44000       1.292000      615.8289      -173.8 
1 1 1 19 10 42 o 43.99000       1.722000      1033.445      159.7  
1 1 1 19 10 43 o 20.02000       1.286000      561.2203      176.1  
1 1 1 19 10 44 o 20.36000       1.308000      565.9356      -176.8 
1 1 1 19 10 45 o 14.51000       1.283000      573.9933      -148.9 
1 1 1 19 10 46 o 12.77000       1.390000      439.9275      149.3  
1 1 1 19 10 47 o 6.747000       1.481000      409.5955      167.9  
1 1 1 19 10 48 o -1.065000      1.670000      130.7670      -27.0  
1 1 1 19 10 49 o 2.456000       1.533000      189.3416      -169.1 
1 1 1 19 10 50 o 23.37000       1.642000      589.7044      23.8   
1 1 1 19 10 51 o 20.28000       1.528000      706.0425      -177.1 
1 1 1 19 10 52 o 0.4797000      1.375000      133.5945      -149.2 
1 1 1 19 10 53 o 7.766000       1.419000      341.7326      94.0   
1 1 1 19 10 54 o 11.84000       1.485000      486.5370      155.3  
1 1 1 19 10 55 o 22.63000       1.775000      752.8108      44.4   
1 1 1 19 10 56 o 0.7926000      1.621000      ?             ?      
1 1 1 19 10 57 o 13.82000       1.505000      ?             ?      
1 1 1 19 10 58 o 7.395000       1.350000      ?             ?      
1 1 1 19 10 59 o 0.6119000      1.309000      ?             ?      
1 1 1 19 10 60 o 3.037000       1.303000      ?             ?      
1 1 1 19 10 61 o 4.961000       1.319000      ?             ?      
1 1 1 19 10 62 o -0.2239000E-02 1.272000      ?             ?      
1 1 1 19 10 63 o 3.663000       1.440000      ?             ?      
1 1 1 19 10 64 o -2.765000      1.569000      ?             ?      
1 1 1 19 10 65 o -0.3219000     1.593000      ?             ?      
1 1 1 19 10 66 o 1.486000       1.422000      ?             ?      
1 1 1 19 10 67 o 0.6165000      1.368000      ?             ?      
1 1 1 19 10 68 o -0.2206000     1.300000      ?             ?      
1 1 1 19 10 69 o -1.571000      1.401000      ?             ?      
1 1 1 19 10 70 o -1.219000      1.613000      ?             ?      
1 1 1 19 10 71 o 4.212000       1.538000      ?             ?      
1 1 1 19 11 0  o 110.7000       3.337000      1225.890      90.0   
1 1 1 19 11 1  o 6.440000       0.6353000     338.9303      -115.7 
1 1 1 19 11 2  o 896.4000       15.80000      3785.678      -111.8 
1 1 1 19 11 3  o 74.56000       1.609000      1221.090      -104.8 
1 1 1 19 11 4  f 137.1000       4.281000      1988.114      81.5   
1 1 1 19 11 5  o 62.17000       1.385000      836.8644      -12.7  
1 1 1 19 11 6  o 151.0000       2.782000      1437.004      -52.5  
1 1 1 19 11 7  o 59.46000       1.944000      1083.811      -128.3 
1 1 1 19 11 8  o 154.7000       2.873000      1733.634      116.9  
1 1 1 19 11 9  o 344.8000       6.856000      2692.785      174.8  
1 1 1 19 11 10 o 37.21000       1.473000      1028.594      -36.0  
1 1 1 19 11 11 o 90.74000       2.038000      1080.346      -119.3 
1 1 1 19 11 12 o 36.12000       1.156000      1233.782      19.8   
1 1 1 19 11 13 o 47.88000       1.789000      593.6768      153.1  
1 1 1 19 11 14 o 81.00000       2.828000      1307.609      42.1   
1 1 1 19 11 15 o 11.76000       1.258000      551.8128      43.0   
1 1 1 19 11 16 o 4.246000       1.549000      97.35133      8.5    
1 1 1 19 11 17 o 885.8000       20.23000      3734.163      -139.8 
1 1 1 19 11 18 o 6.676000       1.077000      82.86500      -10.9  
1 1 1 19 11 19 o 2.136000       1.000000      277.7635      -140.2 
1 1 1 19 11 20 o 125.3000       2.753000      1319.711      -146.2 
1 1 1 19 11 21 o 53.38000       2.019000      979.2874      -129.3 
1 1 1 19 11 22 o 354.3000       7.746000      2701.361      79.0   
1 1 1 19 11 23 o 68.45000       1.978000      1069.947      -32.5  
1 1 1 19 11 24 o 0.5879000      1.156000      409.4344      156.6  
1 1 1 19 11 25 o 1.287000       1.331000      78.62571      -3.4   
1 1 1 19 11 26 o 2.643000       1.277000      199.4438      -4.1   
1 1 1 19 11 27 o 14.72000       1.188000      466.3426      38.8   
1 1 1 19 11 28 o 31.69000       1.669000      798.8394      -74.6  
1 1 1 19 11 29 o 14.81000       1.196000      453.9712      123.1  
1 1 1 19 11 30 o 68.00000       1.988000      1236.047      -36.9  
1 1 1 19 11 31 o 11.71000       1.036000      815.5064      -128.7 
1 1 1 19 11 32 o 34.42000       1.302000      808.3461      49.9   
1 1 1 19 11 33 o 4.956000       0.9991000     209.7923      -44.0  
1 1 1 19 11 34 o 33.85000       1.300000      746.1516      -53.5  
1 1 1 19 11 35 o 8.601000       1.021000      398.7006      108.0  
1 1 1 19 11 36 o 26.50000       1.221000      631.2954      33.6   
1 1 1 19 11 37 o 14.69000       1.224000      656.7324      168.9  
1 1 1 19 11 38 o 9.352000       1.356000      517.4084      -44.7  
1 1 1 19 11 39 o 3.573000       1.184000      215.8778      11.5   
1 1 1 19 11 40 o 24.17000       1.275000      713.2134      -41.1  
1 1 1 19 11 41 o 11.88000       1.260000      634.3583      137.3  
1 1 1 19 11 42 o 19.08000       1.256000      709.2233      -44.6  
1 1 1 19 11 43 o 19.22000       1.276000      490.8358      -49.6  
1 1 1 19 11 44 o 17.31000       1.291000      658.8267      -53.8  
1 1 1 19 11 45 o 11.92000       1.253000      340.8597      178.9  
1 1 1 19 11 46 o 8.101000       1.362000      397.9422      -88.3  
1 1 1 19 11 47 o 2.272000       1.465000      183.8820      -133.3 
1 1 1 19 11 48 o 10.10000       1.451000      454.0324      -173.1 
1 1 1 19 11 49 o 12.36000       1.551000      499.3106      -57.0  
1 1 1 19 11 50 o 20.52000       1.623000      574.2305      -166.9 
1 1 1 19 11 51 o 46.14000       1.855000      897.7255      -117.0 
1 1 1 19 11 52 o 1.701000       1.379000      112.3259      -28.1  
1 1 1 19 11 53 o 1.325000       1.379000      36.73684      161.0  
1 1 1 19 11 54 o 11.37000       1.563000      569.3651      111.6  
1 1 1 19 11 55 o 28.98000       2.016000      ?             ?      
1 1 1 19 11 56 o 0.7684000      1.498000      ?             ?      
1 1 1 19 11 57 o 5.140000       1.323000      ?             ?      
1 1 1 19 11 58 o 12.23000       1.387000      ?             ?      
1 1 1 19 11 59 o 0.3443000      1.287000      ?             ?      
1 1 1 19 11 60 o 4.788000       1.299000      ?             ?      
1 1 1 19 11 61 o 3.210000       1.292000      ?             ?      
1 1 1 19 11 62 o 0.9667000E-01  1.254000      ?             ?      
1 1 1 19 11 63 o 4.144000       1.432000      ?             ?      
1 1 1 19 11 64 o 4.984000       1.563000      ?             ?      
1 1 1 19 11 65 o 6.950000       1.678000      ?             ?      
1 1 1 19 11 66 o -1.992000      1.505000      ?             ?      
1 1 1 19 11 67 o 3.966000       1.517000      ?             ?      
1 1 1 19 11 68 o 2.902000       1.317000      ?             ?      
1 1 1 19 11 70 o 0.9263000      1.626000      ?             ?      
1 1 1 19 11 71 o 3.144000       1.464000      ?             ?      
1 1 1 19 12 0  o -1.587000      0.8676000     231.2627      90.0   
1 1 1 19 12 1  o 17.90000       0.9434000     712.8391      -12.4  
1 1 1 19 12 2  o 48.87000       1.207000      885.4758      79.5   
1 1 1 19 12 3  o 33.51000       1.178000      968.0330      162.2  
1 1 1 19 12 4  o 54.24000       1.297000      1051.320      67.9   
1 1 1 19 12 5  o 81.41000       1.838000      1560.093      -64.5  
1 1 1 19 12 6  o 144.8000       2.873000      1830.558      -38.5  
1 1 1 19 12 7  o 19.92000       0.9395000     898.3234      -129.4 
1 1 1 19 12 8  o 24.80000       1.037000      711.9927      -162.2 
1 1 1 19 12 9  o 114.7000       2.552000      1472.404      -154.9 
1 1 1 19 12 10 o 20.43000       1.152000      832.9504      -89.0  
1 1 1 19 12 11 o 3.630000       0.9568000     611.1318      70.0   
1 1 1 19 12 12 o 18.07000       1.137000      561.6447      -147.8 
1 1 1 19 12 13 o 97.37000       2.590000      1147.335      -175.5 
1 1 1 19 12 14 o 31.57000       2.373000      949.0872      -159.7 
1 1 1 19 12 15 o 59.38000       2.454000      1137.812      161.0  
1 1 1 19 12 16 o 61.27000       1.948000      948.6396      -33.6  
1 1 1 19 12 17 o 4.586000       1.074000      433.6045      -89.8  
1 1 1 19 12 18 o 27.94000       1.372000      809.1417      -146.3 
1 1 1 19 12 19 o 75.19000       2.029000      1482.116      -38.5  
1 1 1 19 12 20 o 107.5000       2.441000      1736.460      152.6  
1 1 1 19 12 21 o 54.33000       1.915000      1092.732      144.3  
1 1 1 19 12 22 o 185.8000       4.252000      1546.201      -123.6 
1 1 1 19 12 23 o 56.14000       1.758000      1133.455      -66.0  
1 1 1 19 12 24 o 90.99000       2.798000      1193.109      131.7  
1 1 1 19 12 25 o 11.00000       1.200000      194.4781      -112.0 
1 1 1 19 12 26 o 123.3000       3.461000      1772.960      -60.3  
1 1 1 19 12 27 o 4.981000       1.134000      411.3559      138.8  
1 1 1 19 12 28 o 55.00000       1.755000      1112.508      102.9  
1 1 1 19 12 29 o 2.435000       1.183000      343.2361      58.4   
1 1 1 19 12 30 o 10.13000       1.139000      528.8052      -104.7 
1 1 1 19 12 31 o 52.62000       1.578000      1364.832      117.9  
1 1 1 19 12 32 o -0.4876000     0.9735000     247.7683      -19.7  
1 1 1 19 12 33 o 11.84000       1.061000      470.3584      -163.2 
1 1 1 19 12 34 o 28.69000       1.235000      750.5237      46.0   
1 1 1 19 12 35 o 19.54000       1.126000      564.5806      -178.2 
1 1 1 19 12 36 o 57.38000       1.883000      933.2773      -52.1  
1 1 1 19 12 37 o 24.07000       1.359000      982.6495      -154.8 
1 1 1 19 12 38 o 4.792000       1.284000      286.1588      -145.0 
1 1 1 19 12 39 o 44.16000       1.746000      1074.546      125.3  
1 1 1 19 12 40 o 20.15000       1.239000      690.9080      129.9  
1 1 1 19 12 41 o 1.838000       1.096000      114.2838      63.1   
1 1 1 19 12 42 o 10.46000       1.171000      612.8892      164.8  
1 1 1 19 12 43 o 2.632000       1.137000      74.67150      -136.8 
1 1 1 19 12 44 o 5.205000       1.172000      211.5231      -151.8 
1 1 1 19 12 45 o 31.12000       1.458000      733.8832      -178.2 
1 1 1 19 12 46 o 22.10000       1.405000      502.2652      -74.9  
1 1 1 19 12 47 o 0.3994000      1.360000      102.4800      -111.5 
1 1 1 19 12 48 o 31.90000       1.695000      760.9133      -7.0   
1 1 1 19 12 49 o 23.35000       1.927000      655.0427      -124.6 
1 1 1 19 12 50 o 14.38000       1.709000      524.7258      -36.1  
1 1 1 19 12 51 o 11.19000       1.526000      469.6274      177.1  
1 1 1 19 12 52 o 10.84000       1.443000      556.5076      41.8   
1 1 1 19 12 53 o 3.376000       1.404000      176.9655      136.1  
1 1 1 19 12 54 o 1.807000       1.560000      72.25430      -86.8  
1 1 1 19 12 55 o 32.95000       2.067000      ?             ?      
1 1 1 19 12 56 o 4.583000       1.438000      ?             ?      
1 1 1 19 12 57 o 7.187000       1.312000      ?             ?      
1 1 1 19 12 58 o 22.97000       1.491000      ?             ?      
1 1 1 19 12 59 o 2.855000       1.292000      ?             ?      
1 1 1 19 12 60 o 2.216000       1.275000      ?             ?      
1 1 1 19 12 61 o 4.792000       1.284000      ?             ?      
1 1 1 19 12 62 o 0.6842000      1.260000      ?             ?      
1 1 1 19 12 63 o 1.618000       1.282000      ?             ?      
1 1 1 19 12 64 o 5.295000       1.467000      ?             ?      
1 1 1 19 12 65 o 1.650000       1.416000      ?             ?      
1 1 1 19 12 66 o 3.877000       1.416000      ?             ?      
1 1 1 19 12 67 o 0.5643000      1.383000      ?             ?      
1 1 1 19 12 68 o -0.9865000     1.402000      ?             ?      
1 1 1 19 12 69 o 4.601000       2.383000      ?             ?      
1 1 1 19 12 70 o 4.091000       1.564000      ?             ?      
1 1 1 19 12 71 o 2.960000       1.433000      ?             ?      
1 1 1 19 13 0  o -2.446000      0.9119000     296.1518      -90.0  
1 1 1 19 13 1  o 37.82000       1.097000      1001.035      74.2   
1 1 1 19 13 2  o 2.327000       0.6825000     298.6618      147.1  
1 1 1 19 13 3  o 36.56000       1.048000      947.6732      25.7   
1 1 1 19 13 4  o 42.48000       1.359000      1259.424      26.5   
1 1 1 19 13 5  o 26.19000       1.113000      506.9005      -41.1  
1 1 1 19 13 6  o 44.98000       1.445000      956.4202      19.0   
1 1 1 19 13 7  o 98.67000       2.359000      1392.527      -136.6 
1 1 1 19 13 8  o 29.92000       1.369000      732.3208      -26.0  
1 1 1 19 13 9  o 45.27000       1.515000      1304.463      -124.7 
1 1 1 19 13 10 o 152.9000       3.533000      1739.578      -53.6  
1 1 1 19 13 11 o 77.09000       2.140000      1223.417      -127.8 
1 1 1 19 13 12 o 97.86000       3.003000      1597.283      -48.6  
1 1 1 19 13 13 o 19.56000       1.178000      844.7937      -57.3  
1 1 1 19 13 14 o 78.74000       2.289000      1039.427      -5.8   
1 1 1 19 13 15 o 15.78000       1.364000      885.1963      -49.8  
1 1 1 19 13 16 o 11.29000       1.313000      433.2641      -108.4 
1 1 1 19 13 17 o 10.31000       1.092000      476.6952      -174.2 
1 1 1 19 13 18 o 18.67000       1.197000      585.3909      67.5   
1 1 1 19 13 19 o 174.7000       3.897000      1911.161      -67.1  
1 1 1 19 13 20 o 14.65000       1.133000      687.7937      94.2   
1 1 1 19 13 21 o 25.04000       1.174000      917.6911      -24.8  
1 1 1 19 13 22 o 35.14000       1.299000      930.6136      -9.9   
1 1 1 19 13 23 o 224.2000       5.054000      2039.232      -69.4  
1 1 1 19 13 24 o 68.90000       2.011000      1279.236      117.0  
1 1 1 19 13 25 o 4.912000       1.152000      514.4433      44.6   
1 1 1 19 13 26 o 24.58000       1.365000      485.3645      -150.0 
1 1 1 19 13 27 o 15.49000       1.180000      568.0802      29.5   
1 1 1 19 13 28 o 1.251000       1.082000      231.9664      -139.6 
1 1 1 19 13 29 o 29.19000       1.471000      902.9367      107.5  
1 1 1 19 13 30 o 5.107000       1.098000      670.3925      -152.7 
1 1 1 19 13 31 o 34.88000       1.447000      799.6506      -129.2 
1 1 1 19 13 32 o 22.88000       1.167000      658.5164      -57.7  
1 1 1 19 13 33 o 2.185000       0.9847000     45.42402      137.1  
1 1 1 19 13 34 o 3.002000       0.9871000     344.9404      -20.9  
1 1 1 19 13 35 o 2.366000       0.9941000     406.2587      84.6   
1 1 1 19 13 36 o 17.07000       1.243000      731.4745      -103.3 
1 1 1 19 13 37 o 4.964000       1.283000      165.3218      30.0   
1 1 1 19 13 38 o 123.8000       3.343000      ?             ?      
1 1 1 19 13 39 o 2.526000       1.099000      261.0164      67.4   
1 1 1 19 13 40 o 33.19000       1.400000      794.1244      166.9  
1 1 1 19 13 41 o 9.050000       1.138000      411.1342      -98.8  
1 1 1 19 13 42 o 35.36000       1.451000      811.3314      -44.2  
1 1 1 19 13 43 o 1.566000       1.129000      269.4393      0.9    
1 1 1 19 13 44 o 2.405000       1.154000      348.9586      -49.4  
1 1 1 19 13 45 o 1.469000       1.187000      99.99038      -135.5 
1 1 1 19 13 46 o 5.683000       1.264000      532.2028      -54.8  
1 1 1 19 13 47 o 0.4707000      1.364000      110.0990      129.2  
1 1 1 19 13 48 o 0.3715000      1.523000      237.9731      -80.1  
1 1 1 19 13 49 o 4.224000       1.490000      339.5346      153.9  
1 1 1 19 13 50 o 52.58000       2.117000      1201.118      -149.5 
1 1 1 19 13 51 o -0.2619000     1.468000      325.1013      -111.5 
1 1 1 19 13 52 o 3.349000       1.428000      238.5708      60.5   
1 1 1 19 13 53 o 13.45000       1.592000      712.6847      170.2  
1 1 1 19 13 54 o 10.02000       1.783000      484.4971      87.8   
1 1 1 19 13 55 o 5.251000       1.560000      ?             ?      
1 1 1 19 13 56 o 2.336000       1.318000      ?             ?      
1 1 1 19 13 57 o 6.049000       1.326000      ?             ?      
1 1 1 19 13 58 o 1.642000       1.278000      ?             ?      
1 1 1 19 13 59 o 0.5085000      1.257000      ?             ?      
1 1 1 19 13 60 o 0.1883000      1.257000      ?             ?      
1 1 1 19 13 61 o 5.458000       1.288000      ?             ?      
1 1 1 19 13 62 o 6.659000       1.309000      ?             ?      
1 1 1 19 13 63 o 1.013000       1.288000      ?             ?      
1 1 1 19 13 64 o 0.5871000      1.437000      ?             ?      
1 1 1 19 13 65 o 3.853000       1.560000      ?             ?      
1 1 1 19 13 66 o 0.9597000      1.582000      ?             ?      
1 1 1 19 13 67 o 0.3230000E-01  1.481000      ?             ?      
1 1 1 19 13 68 o 0.4909000      1.623000      ?             ?      
1 1 1 19 13 69 o 4.142000       1.638000      ?             ?      
1 1 1 19 13 70 o 1.483000       1.466000      ?             ?      
1 1 1 19 13 71 o -1.036000      1.442000      ?             ?      
1 1 1 19 14 0  o 251.2000       7.195000      2873.481      90.0   
1 1 1 19 14 1  o 31.91000       1.015000      825.1372      -93.2  
1 1 1 19 14 2  o 10.83000       0.7547000     602.6841      76.6   
1 1 1 19 14 3  o 8.221000       0.7502000     510.8636      -44.8  
1 1 1 19 14 4  o 4.175000       0.8096000     229.4453      -95.0  
1 1 1 19 14 5  f 0.3362000      0.8202000     497.1253      -176.2 
1 1 1 19 14 6  o 46.76000       1.476000      1043.013      -152.5 
1 1 1 19 14 7  o 19.31000       1.060000      550.1699      -170.2 
1 1 1 19 14 8  o 148.4000       3.754000      1706.634      102.5  
1 1 1 19 14 9  o 33.82000       1.395000      1036.535      -33.8  
1 1 1 19 14 10 o 91.19000       2.348000      1387.718      -19.0  
1 1 1 19 14 11 o 15.57000       1.342000      667.3032      55.5   
1 1 1 19 14 12 o 132.5000       3.360000      1857.472      -13.5  
1 1 1 19 14 13 o 73.76000       3.276000      767.0636      0.4    
1 1 1 19 14 14 o 17.28000       1.309000      592.5070      -130.1 
1 1 1 19 14 15 o 96.50000       2.718000      1587.448      154.4  
1 1 1 19 14 16 o 0.6832000      1.137000      375.6840      167.0  
1 1 1 19 14 17 o 43.81000       1.464000      955.5767      153.9  
1 1 1 19 14 18 o 11.19000       1.078000      383.7512      20.5   
1 1 1 19 14 19 o 8.526000       1.106000      216.6595      93.3   
1 1 1 19 14 20 o 34.69000       1.358000      942.7667      87.5   
1 1 1 19 14 21 o 18.95000       1.124000      580.2706      179.4  
1 1 1 19 14 22 o 78.67000       2.141000      1412.847      -13.6  
1 1 1 19 14 23 o 30.35000       1.276000      877.3187      99.8   
1 1 1 19 14 24 o 17.39000       1.195000      814.8454      164.2  
1 1 1 19 14 25 o 24.85000       1.360000      692.9805      -27.0  
1 1 1 19 14 26 o 11.65000       1.201000      665.4050      148.0  
1 1 1 19 14 27 o 3.275000       1.042000      201.9684      -168.9 
1 1 1 19 14 28 o 4.539000       1.086000      189.7381      132.4  
1 1 1 19 14 29 o 4.606000       1.089000      270.5467      -98.2  
1 1 1 19 14 30 o 4.095000       1.206000      70.69722      -41.3  
1 1 1 19 14 31 o 7.464000       1.129000      313.1984      -175.8 
1 1 1 19 14 32 o 13.14000       1.072000      438.7501      -138.2 
1 1 1 19 14 33 o 17.83000       1.117000      701.5555      71.4   
1 1 1 19 14 34 o 2.450000       0.9960000     277.7054      -12.7  
1 1 1 19 14 35 o 8.050000       1.044000      442.5374      -135.2 
1 1 1 19 14 36 o 33.12000       1.494000      770.3129      -69.6  
1 1 1 19 14 37 o 4.224000       1.161000      248.2454      44.6   
1 1 1 19 14 38 o 5.677000       1.222000      496.8122      92.5   
1 1 1 19 14 39 o 12.42000       1.147000      459.0605      30.4   
1 1 1 19 14 40 o 7.597000       1.111000      388.1673      90.6   
1 1 1 19 14 41 o 7.560000       1.132000      532.4438      -103.2 
1 1 1 19 14 42 o 6.825000       1.157000      285.6428      38.5   
1 1 1 19 14 43 o 1.508000       1.149000      136.0520      164.0  
1 1 1 19 14 44 o 14.00000       1.248000      456.0994      107.1  
1 1 1 19 14 45 o 2.301000       1.187000      159.8986      62.7   
1 1 1 19 14 46 o 11.37000       1.290000      600.5505      -89.8  
1 1 1 19 14 47 o 3.023000       1.386000      222.5567      -38.3  
1 1 1 19 14 48 o 42.01000       2.024000      954.9030      -53.9  
1 1 1 19 14 49 o 2.318000       1.462000      385.0077      -130.3 
1 1 1 19 14 50 o -0.3919000     1.533000      166.2509      -89.2  
1 1 1 19 14 51 o 3.455000       1.633000      286.3389      -111.2 
1 1 1 19 14 52 o 16.64000       1.616000      505.1748      -56.6  
1 1 1 19 14 53 o 20.79000       1.741000      777.7184      149.9  
1 1 1 19 14 54 o 10.96000       1.788000      471.6738      -2.4   
1 1 1 19 14 55 o 4.235000       1.508000      ?             ?      
1 1 1 19 14 56 o 3.909000       1.308000      ?             ?      
1 1 1 19 14 57 o 2.005000       1.298000      ?             ?      
1 1 1 19 14 58 o 13.97000       1.370000      ?             ?      
1 1 1 19 14 59 o 3.912000       1.276000      ?             ?      
1 1 1 19 14 60 o -0.4058000     1.244000      ?             ?      
1 1 1 19 14 61 o 3.669000       1.267000      ?             ?      
1 1 1 19 14 62 o 3.487000       1.264000      ?             ?      
1 1 1 19 14 63 o 1.045000       1.273000      ?             ?      
1 1 1 19 14 64 o 0.6733000      1.420000      ?             ?      
1 1 1 19 14 65 o 1.587000       1.540000      ?             ?      
1 1 1 19 14 66 o 1.868000       1.412000      ?             ?      
1 1 1 19 14 67 o -1.171000      1.553000      ?             ?      
1 1 1 19 14 68 o -0.2022000     1.655000      ?             ?      
1 1 1 19 14 69 o 1.334000       1.521000      ?             ?      
1 1 1 19 14 70 o 0.3285000      1.335000      ?             ?      
1 1 1 19 15 0  o 37.64000       1.597000      1131.916      90.0   
1 1 1 19 15 1  o 15.93000       0.9273000     672.7440      150.3  
1 1 1 19 15 2  o 30.48000       1.402000      904.3635      48.5   
1 1 1 19 15 3  o 82.51000       2.012000      1343.390      -26.7  
1 1 1 19 15 4  o 21.40000       1.035000      1054.586      -1.1   
1 1 1 19 15 5  o 16.29000       0.9646000     883.2838      42.7   
1 1 1 19 15 6  o 57.85000       1.693000      1125.306      -54.5  
1 1 1 19 15 7  o 48.09000       1.725000      1395.020      -113.3 
1 1 1 19 15 8  o 72.57000       2.017000      1303.169      -1.4   
1 1 1 19 15 9  o 22.32000       1.356000      974.4597      -113.7 
1 1 1 19 15 10 o 23.60000       1.366000      788.0240      -61.5  
1 1 1 19 15 11 o 4.755000       1.281000      201.0220      66.8   
1 1 1 19 15 12 o 13.05000       1.480000      646.8578      -56.8  
1 1 1 19 15 13 o 59.30000       2.359000      1182.865      82.6   
1 1 1 19 15 14 o 30.85000       1.705000      1102.043      -95.4  
1 1 1 19 15 15 o 21.50000       1.366000      847.8411      -30.9  
1 1 1 19 15 16 o 42.32000       2.058000      1000.725      -79.9  
1 1 1 19 15 17 o 39.84000       1.438000      901.1345      83.9   
1 1 1 19 15 18 o 42.06000       1.455000      1130.342      -93.1  
1 1 1 19 15 19 o 114.1000       2.567000      1769.732      7.9    
1 1 1 19 15 20 o 10.62000       1.074000      558.5027      100.4  
1 1 1 19 15 21 o 4.620000       1.003000      206.3907      -7.5   
1 1 1 19 15 22 o 125.7000       2.829000      1436.794      -107.3 
1 1 1 19 15 23 o 1.563000       0.9786000     360.1589      39.2   
1 1 1 19 15 24 o 20.57000       1.222000      531.5612      122.3  
1 1 1 19 15 25 o 18.66000       1.212000      490.5908      -15.7  
1 1 1 19 15 26 o 21.05000       1.313000      681.2771      -179.9 
1 1 1 19 15 27 o -1.061000      1.017000      75.50160      28.0   
1 1 1 19 15 28 o 18.38000       1.184000      784.7070      95.2   
1 1 1 19 15 29 o -0.1041000     1.082000      194.2694      -156.6 
1 1 1 19 15 30 o 21.26000       1.397000      471.6264      -139.6 
1 1 1 19 15 31 o 6.530000       1.137000      412.1409      -111.3 
1 1 1 19 15 32 o 8.058000       1.154000      245.3778      -139.1 
1 1 1 19 15 33 o 15.18000       1.103000      590.2338      -20.6  
1 1 1 19 15 34 o 9.590000       1.051000      409.7185      -118.7 
1 1 1 19 15 35 o 12.35000       1.196000      300.8722      -150.2 
1 1 1 19 15 36 o 25.32000       1.570000      771.6816      137.7  
1 1 1 19 15 37 o 9.074000       1.183000      459.8141      -85.1  
1 1 1 19 15 38 o 7.368000       1.092000      500.8661      -153.6 
1 1 1 19 15 39 o 2.975000       1.072000      238.1108      -164.1 
1 1 1 19 15 40 o 4.746000       1.100000      400.8451      136.9  
1 1 1 19 15 41 o 3.653000       1.119000      255.9244      -136.8 
1 1 1 19 15 42 o 5.551000       1.163000      295.8239      102.8  
1 1 1 19 15 43 o 17.19000       1.278000      643.7029      135.1  
1 1 1 19 15 44 o 2.766000       1.196000      323.2069      -96.0  
1 1 1 19 15 45 o 1.467000       1.203000      93.84174      46.1   
1 1 1 19 15 46 o 0.8522000      1.226000      164.4184      42.6   
1 1 1 19 15 47 o 7.642000       1.311000      386.9731      70.7   
1 1 1 19 15 48 o -0.8816000     1.463000      151.1660      125.6  
1 1 1 19 15 49 o 0.5571000      1.611000      23.15780      -22.9  
1 1 1 19 15 50 o 25.70000       1.747000      835.9985      -110.0 
1 1 1 19 15 51 o 4.901000       1.576000      263.0103      129.5  
1 1 1 19 15 52 o 3.766000       1.615000      282.8622      145.4  
1 1 1 19 15 53 o -0.3686000     1.582000      129.2646      92.3   
1 1 1 19 15 54 o 3.194000       1.548000      ?             ?      
1 1 1 19 15 55 o 0.5883000      1.309000      ?             ?      
1 1 1 19 15 56 o 5.066000       1.313000      ?             ?      
1 1 1 19 15 57 o 0.3663000E-01  1.268000      ?             ?      
1 1 1 19 15 58 o 0.9807000      1.266000      ?             ?      
1 1 1 19 15 59 o -1.275000      1.236000      ?             ?      
1 1 1 19 15 60 o 8.043000       1.300000      ?             ?      
1 1 1 19 15 61 o -0.6001000E-01 1.245000      ?             ?      
1 1 1 19 15 62 o -0.1956000     1.243000      ?             ?      
1 1 1 19 15 63 o 5.104000       1.292000      ?             ?      
1 1 1 19 15 64 o 0.2106000      1.273000      ?             ?      
1 1 1 19 15 65 o 2.876000       1.433000      ?             ?      
1 1 1 19 15 66 o 2.014000       1.415000      ?             ?      
1 1 1 19 15 67 o 1.770000       1.665000      ?             ?      
1 1 1 19 15 68 o -2.855000      2.058000      ?             ?      
1 1 1 19 15 69 o 0.3138000      1.646000      ?             ?      
1 1 1 19 15 70 o 3.406000       1.338000      ?             ?      
1 1 1 19 16 0  o 16.89000       1.702000      558.2433      -90.0  
1 1 1 19 16 1  o 29.32000       1.388000      845.3331      -130.4 
1 1 1 19 16 2  o 36.29000       1.417000      996.9419      66.6   
1 1 1 19 16 3  o 13.74000       0.9046000     717.3479      159.9  
1 1 1 19 16 4  o 51.08000       2.084000      1167.209      151.5  
1 1 1 19 16 5  o 11.32000       0.9309000     483.7451      80.2   
1 1 1 19 16 6  o 21.33000       1.187000      926.0864      -87.5  
1 1 1 19 16 7  o 12.33000       1.586000      729.6191      44.0   
1 1 1 19 16 8  o 18.55000       1.180000      767.2761      80.3   
1 1 1 19 16 9  o 41.00000       1.664000      1037.279      29.6   
1 1 1 19 16 10 o 37.24000       1.505000      862.2220      -71.9  
1 1 1 19 16 11 o 6.818000       1.600000      345.7083      21.2   
1 1 1 19 16 12 o 12.94000       1.468000      649.3787      40.4   
1 1 1 19 16 13 o 0.6631000      1.315000      272.4181      -30.1  
1 1 1 19 16 14 o 19.20000       1.731000      871.4368      -148.8 
1 1 1 19 16 15 o 10.07000       1.591000      316.9988      121.4  
1 1 1 19 16 16 o 7.914000       1.145000      585.2895      73.1   
1 1 1 19 16 17 o 11.36000       1.105000      212.2606      -125.1 
1 1 1 19 16 18 o 39.18000       1.429000      976.3134      131.0  
1 1 1 19 16 19 o 11.29000       1.097000      630.5337      47.3   
1 1 1 19 16 20 o 3.885000       1.009000      381.1230      121.3  
1 1 1 19 16 21 o 3.361000       0.9968000     121.1874      -29.7  
1 1 1 19 16 22 o 2.040000       0.9791000     436.9010      90.4   
1 1 1 19 16 23 o 22.51000       1.128000      731.9098      98.2   
1 1 1 19 16 24 o 6.456000       1.065000      336.0264      -96.3  
1 1 1 19 16 25 o 6.465000       1.084000      361.7133      31.3   
1 1 1 19 16 26 o 2.127000       1.120000      235.0150      -146.9 
1 1 1 19 16 27 o 5.896000       1.066000      523.6671      -60.6  
1 1 1 19 16 28 o 7.207000       1.076000      585.0193      -32.6  
1 1 1 19 16 29 o 20.80000       1.274000      810.5950      -133.4 
1 1 1 19 16 30 o 3.701000       1.114000      427.2576      -31.8  
1 1 1 19 16 31 o 7.621000       1.277000      539.3726      174.2  
1 1 1 19 16 32 o 18.64000       1.281000      599.2972      8.0    
1 1 1 19 16 33 o 16.43000       1.132000      618.1401      -24.3  
1 1 1 19 16 34 o 6.261000       1.035000      347.5974      -56.5  
1 1 1 19 16 35 o 16.16000       1.348000      561.5973      -87.1  
1 1 1 19 16 36 o 11.82000       1.300000      505.4016      -96.9  
1 1 1 19 16 37 o 3.174000       1.172000      389.0573      58.0   
1 1 1 19 16 38 o 23.05000       1.267000      655.6206      9.8    
1 1 1 19 16 39 o -1.637000      1.056000      257.1891      -126.1 
1 1 1 19 16 40 o 3.464000       1.099000      370.2481      -48.3  
1 1 1 19 16 41 o 14.80000       1.216000      610.3477      -93.0  
1 1 1 19 16 42 o 4.469000       1.154000      284.4708      17.2   
1 1 1 19 16 43 o 2.236000       1.178000      249.7242      -83.6  
1 1 1 19 16 44 o 4.065000       1.230000      427.9337      110.0  
1 1 1 19 16 45 o 5.414000       1.257000      211.8512      161.0  
1 1 1 19 16 46 o 15.33000       1.364000      627.5852      -123.7 
1 1 1 19 16 47 o 2.110000       1.295000      175.8518      -7.8   
1 1 1 19 16 48 o 1.410000       1.467000      111.6401      -22.0  
1 1 1 19 16 49 o 2.616000       1.621000      162.1539      170.4  
1 1 1 19 16 50 o 6.457000       1.541000      239.6033      -100.7 
1 1 1 19 16 51 o 18.01000       1.690000      672.1279      -54.9  
1 1 1 19 16 52 o 12.94000       1.996000      485.8282      -86.2  
1 1 1 19 16 53 o 16.03000       2.248000      586.1390      96.9   
1 1 1 19 16 54 o 0.5870000      1.498000      ?             ?      
1 1 1 19 16 55 o 1.032000       1.287000      ?             ?      
1 1 1 19 16 56 o 0.5089000E-01  1.269000      ?             ?      
1 1 1 19 16 57 o 4.168000       1.279000      ?             ?      
1 1 1 19 16 58 o 4.324000       1.277000      ?             ?      
1 1 1 19 16 59 o 2.890000       1.368000      ?             ?      
1 1 1 19 16 60 o 4.098000       1.281000      ?             ?      
1 1 1 19 16 61 o 1.831000       1.266000      ?             ?      
1 1 1 19 16 62 o 2.572000       1.282000      ?             ?      
1 1 1 19 16 63 o -0.8632000     1.250000      ?             ?      
1 1 1 19 16 64 o 3.575000       1.288000      ?             ?      
1 1 1 19 16 65 o -0.1528000E-01 1.410000      ?             ?      
1 1 1 19 16 66 o 1.716000       1.551000      ?             ?      
1 1 1 19 16 67 o 2.935000       1.684000      ?             ?      
1 1 1 19 16 68 o 1.550000       1.684000      ?             ?      
1 1 1 19 16 69 o -0.8443000     1.426000      ?             ?      
1 1 1 19 16 70 o -2.700000      1.807000      ?             ?      
1 1 1 19 17 0  o 4.328000       1.267000      190.3004      -90.0  
1 1 1 19 17 1  o 56.32000       2.187000      1017.861      -126.5 
1 1 1 19 17 2  o 25.43000       1.322000      676.4703      -54.8  
1 1 1 19 17 3  o 4.737000       0.8597000     398.7378      46.7   
1 1 1 19 17 4  o 3.626000       1.003000      692.5902      7.0    
1 1 1 19 17 5  o -0.5485000     0.9390000     398.2022      -22.3  
1 1 1 19 17 6  o 2.219000       0.9489000     266.2560      -61.8  
1 1 1 19 17 7  o 9.612000       1.028000      488.3275      -10.1  
1 1 1 19 17 8  o 7.783000       1.152000      542.2212      -4.3   
1 1 1 19 17 9  o 9.287000       1.191000      324.7719      -39.4  
1 1 1 19 17 10 o 10.02000       1.354000      554.7079      -89.6  
1 1 1 19 17 11 o 12.80000       1.421000      342.0153      28.1   
1 1 1 19 17 12 o 57.63000       2.333000      1116.836      -179.6 
1 1 1 19 17 13 o 10.59000       1.349000      498.0804      44.5   
1 1 1 19 17 14 o 29.16000       1.485000      1008.765      -86.6  
1 1 1 19 17 15 o 14.99000       1.279000      642.3891      38.8   
1 1 1 19 17 16 o 2.510000       1.091000      304.5038      16.0   
1 1 1 19 17 17 o 15.54000       1.150000      683.4911      179.0  
1 1 1 19 17 18 o 7.992000       1.079000      216.3225      -124.1 
1 1 1 19 17 19 o 2.323000       1.121000      464.7372      -25.0  
1 1 1 19 17 20 o 21.54000       1.137000      821.2796      -177.7 
1 1 1 19 17 21 o 3.010000       0.9905000     405.5195      176.2  
1 1 1 19 17 22 o 2.578000       0.9870000     241.0815      93.7   
1 1 1 19 17 23 o 9.621000       1.010000      493.9921      24.3   
1 1 1 19 17 24 o 13.10000       1.122000      447.5303      -119.9 
1 1 1 19 17 25 o 1.155000       1.040000      349.7712      -1.7   
1 1 1 19 17 26 o 18.50000       1.272000      547.9750      131.9  
1 1 1 19 17 27 o 10.22000       1.179000      668.3972      27.9   
1 1 1 19 17 28 o 1.701000       1.042000      166.4893      -16.0  
1 1 1 19 17 29 o 5.556000       1.014000      440.2183      -91.3  
1 1 1 19 17 30 o 8.582000       1.158000      415.4257      147.9  
1 1 1 19 17 31 o 16.69000       1.555000      492.0413      88.1   
1 1 1 19 17 32 o 3.114000       1.167000      184.2836      -12.7  
1 1 1 19 17 33 o 0.8016000      1.128000      260.7752      -88.4  
1 1 1 19 17 34 o -0.2794000     1.089000      247.0430      76.6   
1 1 1 19 17 35 o -1.535000      1.174000      121.7252      100.9  
1 1 1 19 17 36 o 2.342000       1.147000      208.9780      82.8   
1 1 1 19 17 37 o 0.4135000      1.054000      128.8617      -75.5  
1 1 1 19 17 38 o 8.336000       1.133000      409.3925      119.7  
1 1 1 19 17 39 o 0.7327000      1.079000      159.0886      84.0   
1 1 1 19 17 40 o 8.200000       1.137000      411.9329      145.0  
1 1 1 19 17 41 o 7.551000       1.168000      421.4470      69.9   
1 1 1 19 17 42 o 1.935000       1.148000      160.6397      -15.4  
1 1 1 19 17 43 o 15.35000       1.305000      592.5275      177.4  
1 1 1 19 17 44 o 4.123000       1.241000      280.3882      -149.9 
1 1 1 19 17 45 o 3.571000       1.271000      250.9199      139.6  
1 1 1 19 17 46 o 0.6795000      1.277000      108.0269      61.2   
1 1 1 19 17 47 o 5.025000       1.328000      220.5664      31.5   
1 1 1 19 17 48 o 0.6559000      1.353000      183.3863      95.0   
1 1 1 19 17 49 o 1.342000       1.513000      171.7472      -93.0  
1 1 1 19 17 50 o 2.829000       1.508000      213.2431      25.5   
1 1 1 19 17 51 o 4.075000       1.557000      282.4319      95.3   
1 1 1 19 17 52 o -0.8877000     1.762000      171.5675      154.2  
1 1 1 19 17 53 o 6.303000       1.777000      ?             ?      
1 1 1 19 17 54 o -1.149000      1.312000      ?             ?      
1 1 1 19 17 55 o 0.5860000      1.274000      ?             ?      
1 1 1 19 17 56 o 2.534000       1.272000      ?             ?      
1 1 1 19 17 57 o -0.3055000     1.241000      ?             ?      
1 1 1 19 17 58 o 2.050000       1.238000      ?             ?      
1 1 1 19 17 59 o 1.256000       1.238000      ?             ?      
1 1 1 19 17 60 o 2.455000       1.281000      ?             ?      
1 1 1 19 17 61 o 0.4464000      1.247000      ?             ?      
1 1 1 19 17 62 o -0.7722000     1.247000      ?             ?      
1 1 1 19 17 63 o -2.420000      1.257000      ?             ?      
1 1 1 19 17 64 o 0.6231000      1.272000      ?             ?      
1 1 1 19 17 65 o -0.2474000     1.267000      ?             ?      
1 1 1 19 17 66 o 0.9837000      1.849000      ?             ?      
1 1 1 19 17 67 o 2.914000       1.635000      ?             ?      
1 1 1 19 17 68 o 2.891000       2.015000      ?             ?      
1 1 1 19 17 69 o 1.592000       1.535000      ?             ?      
1 1 1 19 17 70 o 2.197000       1.554000      ?             ?      
1 1 1 19 18 0  o 25.98000       2.059000      972.6637      -90.0  
1 1 1 19 18 1  o 5.025000       0.9515000     564.0613      70.0   
1 1 1 19 18 2  o 18.09000       1.415000      686.5792      -175.2 
1 1 1 19 18 3  o 3.342000       0.9370000     274.2130      141.1  
1 1 1 19 18 4  o 3.304000       0.9631000     144.9881      158.4  
1 1 1 19 18 5  o 18.78000       1.126000      545.5712      126.6  
1 1 1 19 18 6  f -0.2805000     0.9926000     158.0770      11.5   
1 1 1 19 18 7  o 7.337000       1.063000      608.0815      128.4  
1 1 1 19 18 8  o 38.18000       1.454000      941.6584      113.6  
1 1 1 19 18 9  o 5.227000       1.870000      499.4238      27.7   
1 1 1 19 18 10 o 7.335000       1.416000      622.0635      -60.1  
1 1 1 19 18 11 o -1.427000      1.427000      204.7481      140.8  
1 1 1 19 18 12 o 2.538000       1.231000      239.3818      168.5  
1 1 1 19 18 13 o 8.608000       1.459000      508.2096      -80.3  
1 1 1 19 18 14 o 4.105000       1.568000      470.7868      -178.6 
1 1 1 19 18 15 o 13.75000       1.271000      579.1308      90.6   
1 1 1 19 18 16 o 6.726000       1.124000      432.8161      170.6  
1 1 1 19 18 17 o 18.27000       1.184000      556.3394      -113.3 
1 1 1 19 18 18 o -0.3653000     1.023000      113.8842      83.5   
1 1 1 19 18 19 o -0.4953000     1.037000      179.3254      106.9  
1 1 1 19 18 20 o 8.490000       1.049000      496.5225      82.8   
1 1 1 19 18 21 o 8.928000       1.011000      585.1943      178.8  
1 1 1 19 18 22 o 4.681000       0.9880000     130.2038      116.4  
1 1 1 19 18 23 o 2.338000       0.9679000     174.7749      28.8   
1 1 1 19 18 24 o 2.021000       0.9575000     272.9818      -118.8 
1 1 1 19 18 25 o -0.8702000     1.009000      96.63093      -111.9 
1 1 1 19 18 26 o -0.1427000     1.017000      58.69173      -88.6  
1 1 1 19 18 27 o 0.5571000      1.097000      184.5622      -0.8   
1 1 1 19 18 28 o 4.029000       1.063000      232.1472      -20.4  
1 1 1 19 18 29 o 8.088000       1.101000      394.4809      -147.2 
1 1 1 19 18 30 o 0.8170000      1.110000      54.98237      -155.6 
1 1 1 19 18 31 o -1.031000      1.112000      129.4387      -176.5 
1 1 1 19 18 32 o -1.068000      1.239000      27.06105      -112.3 
1 1 1 19 18 33 o 6.487000       1.309000      294.1743      -123.9 
1 1 1 19 18 34 o 3.015000       1.304000      142.9247      -52.8  
1 1 1 19 18 35 o 1.283000       1.184000      159.8626      -161.7 
1 1 1 19 18 36 o 3.202000       1.118000      243.5095      -92.2  
1 1 1 19 18 37 o 0.2971000      1.064000      213.4408      -6.5   
1 1 1 19 18 38 o 4.081000       1.108000      304.6142      -63.0  
1 1 1 19 18 39 o 3.512000       1.094000      210.3849      -58.3  
1 1 1 19 18 40 o -0.1920000     1.098000      294.7384      -171.9 
1 1 1 19 18 41 o 8.832000       1.191000      372.1215      -66.1  
1 1 1 19 18 42 o 1.351000       1.161000      144.7201      97.5   
1 1 1 19 18 43 o 10.70000       1.284000      370.3283      -114.6 
1 1 1 19 18 44 o -0.1385000     1.233000      69.00282      8.9    
1 1 1 19 18 45 o 4.066000       1.285000      198.8519      177.2  
1 1 1 19 18 46 o 2.497000       1.300000      115.2376      -108.4 
1 1 1 19 18 47 o 1.953000       1.339000      154.8675      65.7   
1 1 1 19 18 48 o -0.5971000     1.345000      150.6691      -71.7  
1 1 1 19 18 49 o 1.735000       1.520000      158.2567      -177.1 
1 1 1 19 18 50 o 1.984000       1.652000      304.5917      -69.6  
1 1 1 19 18 51 o 0.1350000      1.684000      145.6064      -137.0 
1 1 1 19 18 52 o 1.091000       2.216000      268.7691      -167.7 
1 1 1 19 18 53 o -1.458000      1.841000      ?             ?      
1 1 1 19 18 54 o 4.642000       1.440000      ?             ?      
1 1 1 19 18 55 o 0.1413000      1.261000      ?             ?      
1 1 1 19 18 56 o -0.5484000     1.242000      ?             ?      
1 1 1 19 18 57 o 2.544000       1.246000      ?             ?      
1 1 1 19 18 58 o 0.7665000      1.235000      ?             ?      
1 1 1 19 18 59 o -1.347000      1.234000      ?             ?      
1 1 1 19 18 60 o 3.195000       1.264000      ?             ?      
1 1 1 19 18 61 o -0.5684000     1.237000      ?             ?      
1 1 1 19 18 62 o 1.820000       1.248000      ?             ?      
1 1 1 19 18 63 o -1.779000      1.252000      ?             ?      
1 1 1 19 18 64 o 1.038000       1.270000      ?             ?      
1 1 1 19 18 65 o -0.2822000     1.269000      ?             ?      
1 1 1 19 18 66 o 0.8885000      1.680000      ?             ?      
1 1 1 19 18 67 o -0.2826000     1.690000      ?             ?      
1 1 1 19 18 68 o -0.1298000E-01 1.639000      ?             ?      
1 1 1 19 18 69 o -0.6991000     1.445000      ?             ?      
1 1 1 19 19 0  o -1.914000      2.153000      315.6812      -90.0  
1 1 1 19 19 1  o 26.69000       1.584000      848.8474      -110.9 
1 1 1 19 19 2  o -1.246000      1.012000      196.2723      -60.6  
1 1 1 19 19 3  o 0.5264000      0.9929000     338.5976      -0.2   
1 1 1 19 19 4  o -1.263000      0.9486000     206.4234      -123.8 
1 1 1 19 19 5  o 3.939000       1.101000      217.5813      -78.9  
1 1 1 19 19 6  o 2.578000       1.141000      318.9729      -42.9  
1 1 1 19 19 7  o -0.9512000E-01 1.048000      185.6161      -9.4   
1 1 1 19 19 8  o 5.744000       1.435000      443.1422      -63.4  
1 1 1 19 19 9  o 0.4754000      1.445000      212.7110      -127.8 
1 1 1 19 19 10 f 15.46000       1.869000      606.6500      -105.4 
1 1 1 19 19 11 o 2.709000       1.238000      79.01286      -9.1   
1 1 1 19 19 12 o 1.025000       1.211000      185.7348      -125.0 
1 1 1 19 19 13 o 0.4658000      1.403000      207.1273      -159.3 
1 1 1 19 19 14 o -1.537000      1.519000      85.44936      130.2  
1 1 1 19 19 15 o -3.449000      1.270000      63.79709      78.4   
1 1 1 19 19 16 o 9.331000       1.128000      416.3259      -142.6 
1 1 1 19 19 17 o 0.5687000      1.075000      171.1711      -87.1  
1 1 1 19 19 18 o 1.145000       1.051000      173.9552      162.3  
1 1 1 19 19 19 o 12.19000       1.074000      449.3894      -134.2 
1 1 1 19 19 20 o 0.9255000      1.003000      324.0551      179.6  
1 1 1 19 19 21 o 3.307000       0.9829000     131.5590      155.7  
1 1 1 19 19 22 o -2.191000      0.9477000     170.4681      -101.5 
1 1 1 19 19 23 o 0.4010000      0.9490000     223.9332      -137.9 
1 1 1 19 19 24 o 0.7160000      0.9397000     192.4708      -13.7  
1 1 1 19 19 25 o -0.8903000E-01 1.002000      144.7906      0.6    
1 1 1 19 19 26 o 0.4894000      1.010000      196.6365      -61.9  
1 1 1 19 19 27 o -0.6782000     1.080000      53.21087      -67.4  
1 1 1 19 19 28 o 5.671000       1.076000      361.1444      143.8  
1 1 1 19 19 29 o 0.2935000      1.054000      106.2656      117.2  
1 1 1 19 19 30 o 0.8039000      0.9873000     46.08614      130.5  
1 1 1 19 19 31 o 1.165000       1.112000      116.1917      -49.5  
1 1 1 19 19 32 o 1.181000       1.129000      144.8107      -144.1 
1 1 1 19 19 33 o -0.3476000     1.462000      202.7334      -128.5 
1 1 1 19 19 34 o 7.330000       1.513000      328.3715      29.0   
1 1 1 19 19 35 o 2.734000       1.168000      136.5869      65.3   
1 1 1 19 19 36 o 4.107000       1.080000      294.3564      31.2   
1 1 1 19 19 37 o 1.609000       1.081000      220.0340      83.0   
1 1 1 19 19 38 o 1.970000       1.078000      223.7902      -146.8 
1 1 1 19 19 39 o 0.6514000      1.088000      188.8936      150.2  
1 1 1 19 19 40 o -0.2072000E-01 1.118000      57.77696      55.2   
1 1 1 19 19 41 o 13.39000       1.259000      419.4020      -21.3  
1 1 1 19 19 42 o 1.187000       1.186000      35.64296      167.1  
1 1 1 19 19 43 o 8.873000       1.276000      454.2795      169.4  
1 1 1 19 19 44 o 2.914000       1.261000      53.04582      -100.3 
1 1 1 19 19 45 o 7.993000       1.321000      352.7871      94.0   
1 1 1 19 19 46 o -0.1678000     1.322000      211.9516      7.1    
1 1 1 19 19 47 o 9.668000       1.403000      368.7192      64.5   
1 1 1 19 19 48 o 0.5810000      1.341000      78.16556      107.4  
1 1 1 19 19 49 o 5.332000       1.531000      366.2775      7.6    
1 1 1 19 19 50 o -0.8197000     1.655000      64.14515      -101.6 
1 1 1 19 19 51 o -0.3242000     1.695000      71.42477      61.6   
1 1 1 19 19 52 o -0.5140000     1.510000      ?             ?      
1 1 1 19 19 53 o 0.3626000      1.435000      ?             ?      
1 1 1 19 19 54 o -0.4503000     1.388000      ?             ?      
1 1 1 19 19 55 o 3.576000       1.290000      ?             ?      
1 1 1 19 19 56 o 0.2017000      1.252000      ?             ?      
1 1 1 19 19 57 o 4.326000       1.370000      ?             ?      
1 1 1 19 19 58 o -0.3490000E-01 1.234000      ?             ?      
1 1 1 19 19 59 o -2.558000      1.215000      ?             ?      
1 1 1 19 19 60 o 0.9125000E-01  1.224000      ?             ?      
1 1 1 19 19 61 o 1.801000       1.245000      ?             ?      
1 1 1 19 19 62 o 0.5551000      1.268000      ?             ?      
1 1 1 19 19 63 o 0.3296000E-01  1.267000      ?             ?      
1 1 1 19 19 64 o -0.1307000     1.257000      ?             ?      
1 1 1 19 19 65 o -0.6950000     1.647000      ?             ?      
1 1 1 19 19 66 o 0.5709000      1.955000      ?             ?      
1 1 1 19 19 67 o 0.1320000      1.825000      ?             ?      
1 1 1 19 19 68 o -3.282000      1.399000      ?             ?      
1 1 1 19 19 69 o -1.972000      1.538000      ?             ?      
1 1 1 19 20 0  o 7.769000       1.570000      485.1209      -90.0  
1 1 1 19 20 1  o 5.208000       0.9354000     245.8334      129.1  
1 1 1 19 20 2  o -1.870000      0.9168000     181.7886      67.4   
1 1 1 19 20 3  o 8.437000       1.365000      532.0560      35.9   
1 1 1 19 20 4  o 3.865000       1.085000      345.8804      60.8   
1 1 1 19 20 5  o -2.596000      1.028000      103.7386      113.8  
1 1 1 19 20 6  o -1.852000      1.023000      137.7731      24.3   
1 1 1 19 20 7  o 0.1386000      1.273000      195.6602      148.6  
1 1 1 19 20 8  o 0.9649000      1.951000      26.16594      116.5  
1 1 1 19 20 9  o 18.84000       1.693000      701.7778      14.2   
1 1 1 19 20 10 o -1.236000      1.507000      74.68835      115.5  
1 1 1 19 20 11 o -0.8099000     1.215000      172.0176      134.8  
1 1 1 19 20 12 o 0.8396000E-01  1.362000      58.00879      -138.0 
1 1 1 19 20 13 o 3.991000       1.412000      317.8695      -36.7  
1 1 1 19 20 14 o 8.000000       1.546000      300.6821      -164.0 
1 1 1 19 20 15 o -0.3904000     1.240000      69.11232      62.6   
1 1 1 19 20 16 o -2.215000      1.243000      174.4644      -120.9 
1 1 1 19 20 17 o 4.442000       1.179000      234.2625      -102.7 
1 1 1 19 20 18 o 1.680000       1.070000      220.7253      109.0  
1 1 1 19 20 19 o 0.3007000      1.019000      125.1739      -74.2  
1 1 1 19 20 20 o 2.200000       0.9855000     246.1727      6.0    
1 1 1 19 20 21 o 1.144000       0.9719000     139.3006      164.0  
1 1 1 19 20 22 o -0.9726000     0.9460000     58.04801      -141.5 
1 1 1 19 20 23 o 1.077000       0.9380000     138.7440      -60.2  
1 1 1 19 20 24 o -0.7529000     0.9363000     61.33517      117.4  
1 1 1 19 20 25 o -0.1301000     0.9874000     152.4664      179.9  
1 1 1 19 20 26 o -1.416000      1.001000      146.9354      -13.2  
1 1 1 19 20 27 o 3.578000       1.106000      262.6466      81.7   
1 1 1 19 20 28 o -0.2011000     1.090000      121.1831      -158.9 
1 1 1 19 20 29 o -0.8943000     1.046000      97.36988      -170.4 
1 1 1 19 20 30 o 0.3902000      1.013000      130.2837      -109.2 
1 1 1 19 20 31 o 1.081000       1.023000      72.25312      -114.8 
1 1 1 19 20 32 o -1.516000      1.152000      100.4279      57.2   
1 1 1 19 20 33 o -0.1346000     1.485000      104.9941      151.9  
1 1 1 19 20 34 o -0.7068000     1.454000      141.8233      -160.4 
1 1 1 19 20 35 o 1.423000       1.355000      100.1309      77.2   
1 1 1 19 20 36 o -1.232000      1.057000      52.21173      158.8  
1 1 1 19 20 37 o 1.903000       1.064000      262.9487      -35.1  
1 1 1 19 20 38 o 0.2234000E-01  1.061000      46.32057      130.6  
1 1 1 19 20 39 o 1.098000       1.094000      101.4794      50.4   
1 1 1 19 20 40 o -0.9931000     1.124000      70.10394      130.9  
1 1 1 19 20 41 o -1.184000      1.173000      60.74787      73.8   
1 1 1 19 20 42 o 1.588000       1.210000      206.3205      96.2   
1 1 1 19 20 43 o 1.332000       1.228000      111.9519      -72.2  
1 1 1 19 20 44 o 2.093000       1.261000      116.5015      -132.8 
1 1 1 19 20 45 o 4.126000       1.310000      153.4324      -133.1 
1 1 1 19 20 46 o 1.865000       1.320000      129.7971      -156.9 
1 1 1 19 20 47 o 1.055000       1.320000      105.9438      122.8  
1 1 1 19 20 48 o 1.321000       1.325000      25.25516      -125.1 
1 1 1 19 20 49 o 2.298000       1.350000      15.91270      63.4   
1 1 1 19 20 50 o -1.054000      1.718000      60.97226      -58.4  
1 1 1 19 20 51 o 3.212000       2.475000      171.2944      -87.2  
1 1 1 19 20 52 o -0.6833000     1.654000      ?             ?      
1 1 1 19 20 53 o -1.250000      1.402000      ?             ?      
1 1 1 19 20 54 o 1.436000       1.513000      ?             ?      
1 1 1 19 20 55 o 2.138000       1.392000      ?             ?      
1 1 1 19 20 56 o -0.6800000     1.241000      ?             ?      
1 1 1 19 20 57 o 3.007000       1.246000      ?             ?      
1 1 1 19 20 58 o -0.2205000     1.229000      ?             ?      
1 1 1 19 20 59 o 0.7480000      1.219000      ?             ?      
1 1 1 19 20 60 o 1.487000       1.227000      ?             ?      
1 1 1 19 20 61 o 0.2110000      1.245000      ?             ?      
1 1 1 19 20 62 o 0.7637000      1.252000      ?             ?      
1 1 1 19 20 63 o 2.749000       1.264000      ?             ?      
1 1 1 19 20 64 o 0.3684000      1.275000      ?             ?      
1 1 1 19 20 65 o 0.4273000      1.433000      ?             ?      
1 1 1 19 20 66 o 0.2035000      1.451000      ?             ?      
1 1 1 19 20 67 o -0.9968000     1.730000      ?             ?      
1 1 1 19 20 68 o -0.5000000     1.430000      ?             ?      
1 1 1 19 20 69 o 0.8843000      2.158000      ?             ?      
1 1 1 19 21 0  o 0.7338000      1.245000      66.96885      -90.0  
1 1 1 19 21 1  o -1.381000      0.8913000     116.4392      -81.1  
1 1 1 19 21 2  o 0.4443000      0.9757000     166.9215      78.7   
1 1 1 19 21 3  o -1.396000      0.9998000     162.5349      -119.3 
1 1 1 19 21 4  o -0.6098000     0.9388000     92.22198      160.8  
1 1 1 19 21 5  o 1.180000       1.088000      176.7152      -32.6  
1 1 1 19 21 6  o -1.701000      1.341000      109.7341      -42.9  
1 1 1 19 21 7  o -2.955000      1.379000      98.33131      172.5  
1 1 1 19 21 8  o -0.9258000     1.403000      161.7264      109.0  
1 1 1 19 21 9  o -0.3238000     1.499000      90.43446      -143.5 
1 1 1 19 21 10 o 0.1959000      1.421000      106.7177      169.4  
1 1 1 19 21 11 o -1.397000      1.415000      138.0804      140.7  
1 1 1 19 21 12 o -2.094000      1.351000      188.1651      177.6  
1 1 1 19 21 13 o -0.6296000     1.330000      99.95407      -17.3  
1 1 1 19 21 14 o -0.4080000     1.234000      15.46016      -127.8 
1 1 1 19 21 15 o -1.352000      1.189000      137.7382      -168.8 
1 1 1 19 21 16 o -2.257000      1.149000      243.2301      -54.9  
1 1 1 19 21 17 o 0.9759000E-01  1.204000      190.4890      -7.5   
1 1 1 19 21 18 o -1.561000      1.027000      112.9836      -83.5  
1 1 1 19 21 19 o 1.058000       1.027000      133.3400      -160.8 
1 1 1 19 21 20 o 0.1214000      0.9972000     86.74332      87.4   
1 1 1 19 21 21 o -0.2273000     0.9544000     81.94627      177.2  
1 1 1 19 21 22 o 0.1430000      0.9614000     41.12807      -82.3  
1 1 1 19 21 23 o 1.825000       0.9597000     118.6348      171.4  
1 1 1 19 21 24 o -0.7410000     0.9251000     129.8575      73.1   
1 1 1 19 21 25 o -0.3896000     0.9403000     276.0935      -107.9 
1 1 1 19 21 26 o 0.4932000      0.9975000     103.6802      172.0  
1 1 1 19 21 27 o 1.232000       1.029000      117.4061      130.2  
1 1 1 19 21 28 o 1.416000       1.099000      272.4618      173.0  
1 1 1 19 21 29 o 1.016000       1.051000      256.5841      57.3   
1 1 1 19 21 30 o 0.1478000      1.078000      70.80258      39.9   
1 1 1 19 21 31 o -0.4042000     1.010000      154.9530      -177.2 
1 1 1 19 21 32 o -1.274000      1.168000      103.4385      -109.5 
1 1 1 19 21 33 o -1.696000      1.532000      73.29951      91.5   
1 1 1 19 21 34 o 0.8488000      1.563000      51.27179      -74.6  
1 1 1 19 21 35 o 0.4352000      1.227000      124.1555      88.7   
1 1 1 19 21 36 o 0.3379000      1.068000      74.80194      37.8   
1 1 1 19 21 37 o -1.960000      1.058000      96.77558      -105.0 
1 1 1 19 21 38 o 0.8250000      1.071000      201.6671      101.8  
1 1 1 19 21 39 o -0.9174000     1.100000      96.90954      159.8  
1 1 1 19 21 40 o -0.7421000     1.127000      45.14616      -44.1  
1 1 1 19 21 41 o -1.258000      1.147000      71.37131      -12.7  
1 1 1 19 21 42 o 0.8493000      1.205000      128.5044      -135.2 
1 1 1 19 21 43 o 0.2096000E-02  1.228000      54.21437      120.0  
1 1 1 19 21 44 o 0.1233000      1.253000      36.48427      18.2   
1 1 1 19 21 45 o 3.480000       1.312000      143.6864      16.9   
1 1 1 19 21 46 o 0.2590000      1.311000      48.64507      54.6   
1 1 1 19 21 47 o -0.3433000     1.313000      42.75338      176.1  
1 1 1 19 21 48 o 1.435000       1.334000      79.31065      17.0   
1 1 1 19 21 49 o 2.467000       1.345000      117.7173      47.3   
1 1 1 19 21 50 o 2.597000       1.725000      163.1712      145.2  
1 1 1 19 21 51 o 0.3089000E-01  1.919000      ?             ?      
1 1 1 19 21 52 o 1.322000       1.437000      ?             ?      
1 1 1 19 21 53 o 1.990000       1.287000      ?             ?      
1 1 1 19 21 54 o 0.3312000      1.395000      ?             ?      
1 1 1 19 21 55 o 0.1865000      1.361000      ?             ?      
1 1 1 19 21 56 o 2.629000       1.281000      ?             ?      
1 1 1 19 21 57 o 2.487000       1.226000      ?             ?      
1 1 1 19 21 58 o -0.2358000     1.223000      ?             ?      
1 1 1 19 21 59 o 1.505000       1.227000      ?             ?      
1 1 1 19 21 60 o -0.3104000     1.225000      ?             ?      
1 1 1 19 21 61 f 0.5364000      1.242000      ?             ?      
1 1 1 19 21 62 o -1.801000      1.234000      ?             ?      
1 1 1 19 21 63 o 4.104000       1.277000      ?             ?      
1 1 1 19 21 64 o 1.156000       1.435000      ?             ?      
1 1 1 19 21 65 o -0.1960000     1.818000      ?             ?      
1 1 1 19 21 66 o -0.2036000     1.458000      ?             ?      
1 1 1 19 21 67 o -2.277000      1.556000      ?             ?      
1 1 1 19 21 68 o -0.6495000E-01 2.266000      ?             ?      
1 1 1 19 22 0  o -1.358000      1.240000      47.05856      -90.0  
1 1 1 19 22 1  o -0.1088000     0.9638000     61.45525      -107.9 
1 1 1 19 22 2  o -2.478000      1.356000      226.8656      -129.4 
1 1 1 19 22 3  o -0.2456000     0.8858000     199.5733      134.6  
1 1 1 19 22 4  o 0.2244000      0.8940000     27.36285      -88.8  
1 1 1 19 22 5  o 1.225000       0.9487000     129.1484      -152.7 
1 1 1 19 22 6  o -0.6815000     1.355000      235.5024      -158.8 
1 1 1 19 22 7  o 2.773000       1.281000      85.10407      -126.8 
1 1 1 19 22 8  o -1.881000      1.334000      262.0365      84.9   
1 1 1 19 22 9  o -2.731000      1.410000      188.5063      157.2  
1 1 1 19 22 10 o -1.440000      1.438000      195.8704      -83.1  
1 1 1 19 22 11 o 1.505000       1.137000      136.8872      -146.4 
1 1 1 19 22 12 o 0.5316000      1.340000      68.73196      -156.5 
1 1 1 19 22 13 o 1.652000       1.323000      161.8391      -104.2 
1 1 1 19 22 14 o 0.4476000      1.406000      136.6366      -3.7   
1 1 1 19 22 15 o -0.9027000     1.159000      40.15130      -159.6 
1 1 1 19 22 16 o 0.8051000      1.172000      65.96574      -127.6 
1 1 1 19 22 17 o 0.3314000      1.140000      189.5635      -80.3  
1 1 1 19 22 18 o 0.3450000      1.043000      119.8662      63.8   
1 1 1 19 22 19 o -0.6941000     0.9915000     117.5309      -61.1  
1 1 1 19 22 20 o 0.4002000      0.9835000     181.6080      -148.0 
1 1 1 19 22 21 o 1.143000       0.9547000     125.1973      16.6   
1 1 1 19 22 22 o -0.5436000     0.9589000     38.11061      -1.1   
1 1 1 19 22 23 o 1.096000       0.9594000     235.7162      148.2  
1 1 1 19 22 24 o 0.2809000      0.9184000     75.44502      -0.1   
1 1 1 19 22 25 o -0.2484000E-01 0.9286000     47.78681      -176.5 
1 1 1 19 22 26 o 1.283000       0.9922000     243.6727      27.1   
1 1 1 19 22 27 o 0.8252000      1.002000      74.27985      -82.1  
1 1 1 19 22 28 o -0.3346000     1.082000      155.6485      160.7  
1 1 1 19 22 29 o -0.5517000     1.015000      47.13755      -95.2  
1 1 1 19 22 30 o 0.5831000      1.022000      80.03741      34.8   
1 1 1 19 22 31 o 0.4813000      1.046000      82.72180      -144.2 
1 1 1 19 22 32 o -0.5447000     1.206000      146.1007      150.8  
1 1 1 19 22 33 o 0.2594000E-01  1.542000      177.3046      6.3    
1 1 1 19 22 34 o -1.817000      1.439000      85.12531      -35.3  
1 1 1 19 22 35 o 1.824000       1.245000      174.6582      111.5  
1 1 1 19 22 36 o 2.889000       1.238000      240.4647      -135.0 
1 1 1 19 22 37 o -1.325000      1.083000      120.4473      164.9  
1 1 1 19 22 38 o 1.086000       1.098000      138.2040      132.2  
1 1 1 19 22 39 o 2.110000       1.139000      17.10839      116.3  
1 1 1 19 22 40 o 3.469000       1.175000      156.6881      102.4  
1 1 1 19 22 41 o -0.6598000     1.159000      36.44230      100.4  
1 1 1 19 22 42 o 0.8092000      1.198000      19.94958      73.6   
1 1 1 19 22 43 o 0.6768000      1.226000      81.22320      -17.3  
1 1 1 19 22 44 o 0.5871000      1.264000      51.97218      -50.9  
1 1 1 19 22 45 o -0.6725000     1.269000      144.8546      -102.7 
1 1 1 19 22 46 o 2.369000       1.306000      111.4737      -176.9 
1 1 1 19 22 47 o -0.7065000     1.291000      143.8443      98.4   
1 1 1 19 22 48 o -0.7743000     1.488000      55.73067      178.9  
1 1 1 19 22 49 o -0.1811000     1.431000      136.8553      -97.9  
1 1 1 19 22 50 o 2.217000       1.694000      175.8589      -28.5  
1 1 1 19 22 51 o 0.5830000      1.738000      ?             ?      
1 1 1 19 22 52 o -0.2466000E-01 1.412000      ?             ?      
1 1 1 19 22 53 o 1.026000       1.375000      ?             ?      
1 1 1 19 22 54 f 1.065000       1.369000      ?             ?      
1 1 1 19 22 55 o -2.344000      1.457000      ?             ?      
1 1 1 19 22 56 o -0.8970000     1.340000      ?             ?      
1 1 1 19 22 57 o 1.114000       1.226000      ?             ?      
1 1 1 19 22 58 o 2.687000       1.215000      ?             ?      
1 1 1 19 22 59 o 0.6463000      1.221000      ?             ?      
1 1 1 19 22 60 o -0.7192000     1.221000      ?             ?      
1 1 1 19 22 61 o 0.6144000      1.224000      ?             ?      
1 1 1 19 22 62 o 0.6014000      1.242000      ?             ?      
1 1 1 19 22 63 o -3.416000      1.355000      ?             ?      
1 1 1 19 22 64 o -0.6633000E-01 1.584000      ?             ?      
1 1 1 19 22 65 o 0.7574000      1.669000      ?             ?      
1 1 1 19 22 66 o -1.019000      1.289000      ?             ?      
1 1 1 19 22 67 o 1.868000       1.309000      ?             ?      
1 1 1 19 22 68 o -1.709000      1.560000      ?             ?      
1 1 1 19 23 0  o 0.6954000      1.269000      45.36738      90.0   
1 1 1 19 23 1  o 1.973000       0.8960000     207.2118      16.4   
1 1 1 19 23 2  o -0.9103000E-01 0.8468000     73.72378      13.1   
1 1 1 19 23 3  o 2.129000       0.8554000     227.4066      -103.2 
1 1 1 19 23 4  o -0.8321000     0.8729000     71.72605      -37.3  
1 1 1 19 23 5  o 0.9648000      0.8959000     102.8821      116.6  
1 1 1 19 23 6  o 0.4576000      1.332000      97.96635      -85.4  
1 1 1 19 23 7  o 0.6176000      1.295000      250.8687      -143.9 
1 1 1 19 23 8  o -0.3996000E-03 1.293000      113.4928      -90.4  
1 1 1 19 23 9  o 0.7375000      1.130000      197.7801      101.8  
1 1 1 19 23 10 o -0.1016000     1.138000      273.7773      -93.7  
1 1 1 19 23 11 o 0.7138000      1.326000      165.2334      177.3  
1 1 1 19 23 12 o 0.9525000      1.821000      104.9289      71.8   
1 1 1 19 23 13 o -0.7935000     1.807000      116.0126      -126.8 
1 1 1 19 23 14 o 2.108000       1.119000      271.2423      -139.2 
1 1 1 19 23 15 o 0.4813000      1.118000      270.6591      1.1    
1 1 1 19 23 16 o 1.387000       1.368000      155.3515      -155.3 
1 1 1 19 23 17 o 1.165000       1.348000      159.1317      110.9  
1 1 1 19 23 18 o -1.463000      1.099000      158.2685      33.7   
1 1 1 19 23 19 o 0.2474000      1.020000      13.73475      -146.2 
1 1 1 19 23 20 o 1.170000       1.006000      97.96263      -27.6  
1 1 1 19 23 21 o -0.5362000E-01 1.049000      113.0352      -39.0  
1 1 1 19 23 22 o -0.9076000E-01 0.9420000     235.4967      -78.2  
1 1 1 19 23 23 o -0.5030000     0.9420000     48.57866      -165.6 
1 1 1 19 23 24 o 0.4461000      0.9383000     32.02503      -106.2 
1 1 1 19 23 25 o 3.677000       0.9389000     112.1536      74.1   
1 1 1 19 23 26 o 1.494000       1.003000      211.0639      -174.6 
1 1 1 19 23 27 o 0.1271000      1.010000      250.3687      -106.1 
1 1 1 19 23 28 o -0.3534000     1.053000      94.75844      22.5   
1 1 1 19 23 29 o -0.1776000     1.061000      31.82309      7.2    
1 1 1 19 23 30 o 2.829000       1.023000      61.27410      -168.8 
1 1 1 19 23 31 o -1.178000      1.097000      166.4324      -124.6 
1 1 1 19 23 32 o 2.732000       1.200000      310.6483      123.8  
1 1 1 19 23 33 o -0.4965000     1.209000      130.6370      -87.2  
1 1 1 19 23 34 o 3.118000       1.265000      235.8568      -90.4  
1 1 1 19 23 35 o 2.197000       1.418000      191.1537      -11.4  
1 1 1 19 23 36 o -2.000000      1.212000      98.14491      138.1  
1 1 1 19 23 37 o 1.336000       1.248000      68.65532      -141.0 
1 1 1 19 23 38 o 2.654000       1.150000      229.0428      -173.6 
1 1 1 19 23 39 o 6.905000       1.203000      252.9223      -46.9  
1 1 1 19 23 40 o 1.877000       1.169000      210.3011      -9.5   
1 1 1 19 23 41 o -0.1862000     1.172000      72.34359      124.8  
1 1 1 19 23 42 o 3.847000       1.225000      239.8519      44.0   
1 1 1 19 23 43 o 0.3786000      1.220000      110.8727      2.0    
1 1 1 19 23 44 o 0.4487000      1.247000      94.50736      -88.8  
1 1 1 19 23 45 o 0.8962000      1.263000      199.9483      -57.7  
1 1 1 19 23 46 o -1.652000      1.269000      37.04919      -27.7  
1 1 1 19 23 47 o 0.9703000      1.280000      166.9208      -80.2  
1 1 1 19 23 48 o 0.1769000      1.324000      122.2686      76.8   
1 1 1 19 23 49 o 2.647000       1.443000      178.4617      161.7  
1 1 1 19 23 50 o 0.2410000      1.449000      ?             ?      
1 1 1 19 23 51 o 0.3953000      1.469000      ?             ?      
1 1 1 19 23 52 o -1.698000      1.527000      ?             ?      
1 1 1 19 23 53 o 3.127000       1.360000      ?             ?      
1 1 1 19 23 54 o 2.334000       1.251000      ?             ?      
1 1 1 19 23 55 o 0.5561000      1.375000      ?             ?      
1 1 1 19 23 56 o 1.641000       1.469000      ?             ?      
1 1 1 19 23 57 o 3.103000       1.371000      ?             ?      
1 1 1 19 23 58 o 1.159000       1.212000      ?             ?      
1 1 1 19 23 59 o -0.6939000E-01 1.221000      ?             ?      
1 1 1 19 23 60 o -3.804000      1.209000      ?             ?      
1 1 1 19 23 61 o -1.055000      1.342000      ?             ?      
1 1 1 19 23 62 o 0.6337000      1.344000      ?             ?      
1 1 1 19 23 63 o -2.611000      1.594000      ?             ?      
1 1 1 19 23 64 o -2.003000      1.673000      ?             ?      
1 1 1 19 23 65 o -2.036000      1.443000      ?             ?      
1 1 1 19 23 66 o 0.3538000E-01  1.399000      ?             ?      
1 1 1 19 23 67 o -0.9214000E-01 1.419000      ?             ?      
1 1 1 19 24 0  o 11.71000       1.726000      418.8001      -90.0  
1 1 1 19 24 1  o 2.075000       0.8847000     218.0509      64.0   
1 1 1 19 24 2  o 0.5697000      0.8479000     310.8084      -129.7 
1 1 1 19 24 3  o 3.922000       0.8596000     257.8051      -39.7  
1 1 1 19 24 4  o 9.617000       0.9376000     592.9671      -172.6 
1 1 1 19 24 5  o 3.322000       1.011000      464.7943      118.4  
1 1 1 19 24 6  o 0.6981000      1.064000      41.72853      81.3   
1 1 1 19 24 7  o 3.186000       1.400000      333.1635      -14.9  
1 1 1 19 24 8  f 1.430000       1.104000      256.9512      137.6  
1 1 1 19 24 9  o 2.175000       1.097000      182.6461      134.9  
1 1 1 19 24 10 o 1.073000       1.083000      227.1781      -113.6 
1 1 1 19 24 11 o 7.397000       1.330000      222.3637      -171.4 
1 1 1 19 24 12 o 3.907000       1.280000      250.2141      -57.1  
1 1 1 19 24 13 o 3.609000       1.077000      204.1496      -68.5  
1 1 1 19 24 14 o 3.294000       1.263000      332.1727      140.6  
1 1 1 19 24 15 o 0.8178000      1.330000      197.5974      -120.4 
1 1 1 19 24 16 o 2.786000       1.104000      107.7105      -73.2  
1 1 1 19 24 17 o 1.993000       1.085000      197.8645      -23.6  
1 1 1 19 24 18 o 2.897000       1.121000      256.2466      51.9   
1 1 1 19 24 19 o 1.280000       1.307000      182.9275      149.7  
1 1 1 19 24 20 o -2.040000      1.046000      120.6115      69.8   
1 1 1 19 24 21 o 2.360000       0.9623000     203.2115      91.2   
1 1 1 19 24 22 o 1.978000       0.9837000     387.5239      -83.8  
1 1 1 19 24 23 o 0.4598000      0.9649000     207.0414      146.5  
1 1 1 19 24 24 o 1.674000       0.9599000     249.9170      -88.4  
1 1 1 19 24 25 o 2.618000       0.9712000     261.7301      0.3    
1 1 1 19 24 26 o -0.7718000E-01 0.9519000     220.1760      48.3   
1 1 1 19 24 27 o -1.808000      0.9821000     82.58225      -33.5  
1 1 1 19 24 28 o -0.1896000E-01 0.9980000     142.5184      109.4  
1 1 1 19 24 29 o 2.652000       1.088000      104.1728      -149.8 
1 1 1 19 24 30 o 3.426000       1.105000      389.8670      -52.2  
1 1 1 19 24 31 o 6.096000       1.334000      464.4041      176.2  
1 1 1 19 24 32 o -1.351000      1.170000      125.5496      45.9   
1 1 1 19 24 33 o 1.223000       1.136000      127.1232      44.9   
1 1 1 19 24 34 o 0.6901000      1.194000      10.98684      9.3    
1 1 1 19 24 35 o 7.531000       1.257000      468.7026      -155.4 
1 1 1 19 24 36 o -1.567000      1.564000      147.7655      -97.8  
1 1 1 19 24 37 o -0.9910000     1.266000      60.99022      127.2  
1 1 1 19 24 38 o 2.840000       1.153000      115.1133      119.5  
1 1 1 19 24 39 o -1.487000      1.156000      80.11251      -2.1   
1 1 1 19 24 40 o 0.7517000      1.159000      79.48608      85.4   
1 1 1 19 24 41 o 2.370000       1.199000      213.1068      103.5  
1 1 1 19 24 42 f 1.135000       1.225000      92.07350      -165.8 
1 1 1 19 24 43 o -1.610000      1.219000      114.9503      63.2   
1 1 1 19 24 44 o 0.8544000E-01  1.229000      84.23444      -64.0  
1 1 1 19 24 45 o 1.486000       1.270000      179.7886      -106.9 
1 1 1 19 24 46 o 1.796000       1.279000      139.1144      112.9  
1 1 1 19 24 47 o 1.958000       1.295000      213.3907      122.3  
1 1 1 19 24 48 o 0.7044000      1.405000      147.6058      -166.2 
1 1 1 19 24 49 o 1.907000       1.584000      315.7454      -19.3  
1 1 1 19 24 50 o 5.428000       1.465000      ?             ?      
1 1 1 19 24 51 o 3.016000       1.457000      ?             ?      
1 1 1 19 24 52 o 1.947000       1.432000      ?             ?      
1 1 1 19 24 53 o -0.5615000     1.342000      ?             ?      
1 1 1 19 24 54 o 2.737000       1.281000      ?             ?      
1 1 1 19 24 55 o -0.7340000     1.358000      ?             ?      
1 1 1 19 24 56 o -0.9049000     1.455000      ?             ?      
1 1 1 19 24 57 o 3.131000       1.369000      ?             ?      
1 1 1 19 24 58 o -0.6331000     1.223000      ?             ?      
1 1 1 19 24 59 o 0.3676000      1.331000      ?             ?      
1 1 1 19 24 60 o 2.328000       1.339000      ?             ?      
1 1 1 19 24 61 o 3.440000       1.360000      ?             ?      
1 1 1 19 24 62 o 0.6322000      1.259000      ?             ?      
1 1 1 19 24 63 o -1.060000      1.409000      ?             ?      
1 1 1 19 24 64 o 0.8781000      1.638000      ?             ?      
1 1 1 19 24 65 o -1.984000      1.448000      ?             ?      
1 1 1 19 24 66 o 0.9283000      1.436000      ?             ?      
1 1 1 19 24 67 o -0.4219000     1.788000      ?             ?      
1 1 1 19 25 0  o 24.84000       1.542000      676.9352      90.0   
1 1 1 19 25 1  o 4.289000       0.8764000     196.4091      1.3    
1 1 1 19 25 2  f 4.547000       0.8779000     93.87901      -114.8 
1 1 1 19 25 3  o 2.818000       0.8715000     268.3789      -19.6  
1 1 1 19 25 4  o 4.214000       0.9937000     152.4359      80.7   
1 1 1 19 25 5  o 15.11000       1.194000      587.2507      141.6  
1 1 1 19 25 6  o -1.155000      1.083000      298.2566      158.8  
1 1 1 19 25 7  o 13.74000       1.478000      502.4195      120.8  
1 1 1 19 25 8  o 7.344000       1.189000      527.6995      69.1   
1 1 1 19 25 9  o 3.272000       1.059000      289.3977      -114.2 
1 1 1 19 25 10 o 1.195000       1.303000      284.0889      -125.5 
1 1 1 19 25 11 o 22.18000       1.436000      653.8777      -78.8  
1 1 1 19 25 12 o 2.741000       1.217000      289.6725      131.2  
1 1 1 19 25 13 o 1.605000       1.022000      273.7020      -47.4  
1 1 1 19 25 14 o -0.5830000     1.034000      68.31643      126.4  
1 1 1 19 25 15 o 1.490000       1.078000      58.81247      38.5   
1 1 1 19 25 16 o 3.123000       1.070000      221.3287      72.4   
1 1 1 19 25 17 o 1.048000       1.276000      337.9987      -164.4 
1 1 1 19 25 18 o 9.299000       1.364000      310.4839      161.2  
1 1 1 19 25 19 o 4.265000       1.078000      344.2381      -137.4 
1 1 1 19 25 20 o 0.3470000E-01  1.039000      86.75312      -169.9 
1 1 1 19 25 21 o 0.2203000      0.9507000     117.9775      23.8   
1 1 1 19 25 22 o 6.554000       1.113000      262.7777      153.1  
1 1 1 19 25 23 o 0.2251000      1.038000      72.62078      137.6  
1 1 1 19 25 24 o 2.793000       0.9581000     302.1391      -168.7 
1 1 1 19 25 25 o 5.976000       1.036000      344.2135      75.5   
1 1 1 19 25 26 o 1.555000       1.009000      178.6938      164.5  
1 1 1 19 25 27 o -0.5862000     0.9809000     201.1900      -20.3  
1 1 1 19 25 28 o 2.727000       1.016000      269.5126      162.5  
1 1 1 19 25 29 o -1.802000      1.084000      261.4400      -17.8  
1 1 1 19 25 30 o 7.765000       1.142000      501.9719      -117.7 
1 1 1 19 25 31 o 0.9107000      1.192000      184.9141      114.8  
1 1 1 19 25 32 o 10.93000       1.220000      509.2174      -176.8 
1 1 1 19 25 33 o 3.170000       1.134000      317.6121      -98.0  
1 1 1 19 25 34 o 4.758000       1.106000      271.3799      -94.9  
1 1 1 19 25 35 o 5.441000       1.237000      336.8324      39.9   
1 1 1 19 25 36 o 1.445000       1.353000      142.3191      -151.3 
1 1 1 19 25 37 o 1.315000       1.298000      303.4374      -84.5  
1 1 1 19 25 38 o 3.644000       1.319000      219.0404      -56.9  
1 1 1 19 25 39 o 7.837000       1.181000      297.2893      -25.5  
1 1 1 19 25 40 o 2.013000       1.182000      74.18387      59.1   
1 1 1 19 25 41 o 5.742000       1.234000      281.8202      80.1   
1 1 1 19 25 42 o -0.5091000     1.240000      77.31991      2.4    
1 1 1 19 25 43 o 6.711000       1.275000      297.4212      40.0   
1 1 1 19 25 44 o 1.636000       1.255000      102.0471      -85.1  
1 1 1 19 25 45 o 3.814000       1.300000      285.4270      40.8   
1 1 1 19 25 46 o 4.956000       1.306000      295.0500      -92.1  
1 1 1 19 25 47 o 9.718000       1.425000      349.1417      179.7  
1 1 1 19 25 48 o 7.461000       1.494000      320.7253      89.2   
1 1 1 19 25 49 o 7.669000       1.489000      ?             ?      
1 1 1 19 25 50 o 0.4735000      1.276000      ?             ?      
1 1 1 19 25 51 o 1.802000       1.264000      ?             ?      
1 1 1 19 25 52 o 2.427000       1.404000      ?             ?      
1 1 1 19 25 53 o 4.118000       1.514000      ?             ?      
1 1 1 19 25 54 o 2.384000       1.332000      ?             ?      
1 1 1 19 25 55 o 0.4510000      1.211000      ?             ?      
1 1 1 19 25 56 o 1.747000       1.357000      ?             ?      
1 1 1 19 25 57 o 0.5480000      1.468000      ?             ?      
1 1 1 19 25 58 o -0.3626000     1.343000      ?             ?      
1 1 1 19 25 59 o -0.4354000     1.329000      ?             ?      
1 1 1 19 25 60 o -0.4527000     1.226000      ?             ?      
1 1 1 19 25 61 o 2.922000       1.262000      ?             ?      
1 1 1 19 25 62 o 1.728000       1.411000      ?             ?      
1 1 1 19 25 63 o 3.908000       2.024000      ?             ?      
1 1 1 19 25 64 o 0.5001000      1.633000      ?             ?      
1 1 1 19 25 65 o -1.237000      1.761000      ?             ?      
1 1 1 19 25 66 o -0.2990000     1.764000      ?             ?      
1 1 1 19 26 0  o 2.300000       1.219000      323.6915      -90.0  
1 1 1 19 26 1  o 8.064000       0.8882000     433.7477      13.0   
1 1 1 19 26 2  o 29.20000       1.103000      757.4232      98.6   
1 1 1 19 26 3  o 5.617000       0.8994000     342.1689      -67.4  
1 1 1 19 26 4  o 55.09000       1.621000      1031.435      -165.6 
1 1 1 19 26 5  o 0.2976000      1.022000      105.8418      -124.1 
1 1 1 19 26 6  o 3.816000       1.101000      301.7749      -130.0 
1 1 1 19 26 7  o 3.126000       1.127000      274.7043      -2.9   
1 1 1 19 26 8  o 21.12000       1.329000      641.9818      141.8  
1 1 1 19 26 9  o 7.583000       1.141000      549.9495      142.1  
1 1 1 19 26 10 o 3.877000       1.247000      348.9653      -94.8  
1 1 1 19 26 11 o 8.852000       1.259000      356.9652      -91.3  
1 1 1 19 26 12 o -1.093000      1.014000      152.9665      50.6   
1 1 1 19 26 13 o 13.85000       1.115000      639.0072      136.6  
1 1 1 19 26 14 o 11.07000       1.070000      360.8420      149.6  
1 1 1 19 26 15 o 6.130000       1.075000      520.2012      -113.2 
1 1 1 19 26 16 o -1.121000      1.047000      206.9543      149.3  
1 1 1 19 26 17 o 1.950000       1.098000      42.87190      -4.1   
1 1 1 19 26 18 o 15.63000       1.200000      679.9059      -143.0 
1 1 1 19 26 19 o 1.304000       1.064000      197.3158      -124.4 
1 1 1 19 26 20 o 5.737000       1.271000      283.3894      -69.1  
1 1 1 19 26 21 o 19.24000       1.416000      473.1480      -151.8 
1 1 1 19 26 22 o 13.29000       1.058000      647.6297      -65.7  
1 1 1 19 26 23 o 8.583000       1.011000      357.3770      -157.3 
1 1 1 19 26 24 o 5.267000       0.9807000     217.2465      134.0  
1 1 1 19 26 25 o 1.452000       1.032000      174.8624      141.5  
1 1 1 19 26 26 o 2.705000       1.078000      373.2802      -110.9 
1 1 1 19 26 27 o 7.222000       1.077000      509.3247      -65.6  
1 1 1 19 26 28 o 4.363000       1.063000      254.8410      25.9   
1 1 1 19 26 29 o 1.934000       1.203000      178.0898      -65.8  
1 1 1 19 26 30 o 4.310000       1.321000      265.7734      58.5   
1 1 1 19 26 31 o 4.969000       1.275000      281.2446      -95.1  
1 1 1 19 26 32 o 0.6117000      1.140000      288.6207      -176.9 
1 1 1 19 26 33 o 7.719000       1.057000      410.8931      -100.5 
1 1 1 19 26 34 o 3.360000       1.044000      168.6678      -171.1 
1 1 1 19 26 35 o 0.1774000      1.205000      90.38898      -150.9 
1 1 1 19 26 36 o 6.345000       1.271000      254.3729      0.6    
1 1 1 19 26 37 o 11.76000       1.501000      519.9716      105.5  
1 1 1 19 26 38 o -0.3454000     1.288000      142.3413      -54.6  
1 1 1 19 26 39 o 4.660000       1.297000      235.8157      -21.3  
1 1 1 19 26 40 o 2.927000       1.209000      274.1774      90.8   
1 1 1 19 26 41 o 11.16000       1.304000      444.0202      152.7  
1 1 1 19 26 42 o 30.19000       1.539000      689.6547      167.6  
1 1 1 19 26 43 o 3.209000       1.273000      258.7951      -94.1  
1 1 1 19 26 44 o 2.386000       1.267000      222.7588      115.7  
1 1 1 19 26 45 o 1.905000       1.285000      317.8942      -41.7  
1 1 1 19 26 46 f 13.69000       1.376000      564.2174      156.4  
1 1 1 19 26 47 o 6.533000       1.455000      267.1880      -119.1 
1 1 1 19 26 48 o 3.493000       1.596000      ?             ?      
1 1 1 19 26 49 o 3.047000       1.359000      ?             ?      
1 1 1 19 26 50 o 5.383000       1.278000      ?             ?      
1 1 1 19 26 51 o 2.536000       1.250000      ?             ?      
1 1 1 19 26 52 o 0.7867000      1.372000      ?             ?      
1 1 1 19 26 53 o 0.2329000      1.468000      ?             ?      
1 1 1 19 26 54 o 1.607000       1.317000      ?             ?      
1 1 1 19 26 55 o 2.818000       1.341000      ?             ?      
1 1 1 19 26 56 o -1.035000      1.450000      ?             ?      
1 1 1 19 26 57 o 3.365000       1.467000      ?             ?      
1 1 1 19 26 58 o -1.874000      1.328000      ?             ?      
1 1 1 19 26 59 o -0.1899000     1.214000      ?             ?      
1 1 1 19 26 60 o 0.7509000      1.683000      ?             ?      
1 1 1 19 26 61 o 0.3446000      1.355000      ?             ?      
1 1 1 19 26 62 o 1.192000       1.606000      ?             ?      
1 1 1 19 26 63 o 1.610000       1.913000      ?             ?      
1 1 1 19 26 64 o 0.7339000      1.328000      ?             ?      
1 1 1 19 26 65 o -0.2033000     1.270000      ?             ?      
1 1 1 19 26 66 o 1.239000       1.775000      ?             ?      
1 1 1 19 27 0  o 11.17000       1.269000      388.0450      90.0   
1 1 1 19 27 1  o 8.308000       0.8664000     502.7534      -134.5 
1 1 1 19 27 2  o 2.671000       0.8582000     428.0377      41.2   
1 1 1 19 27 3  o 12.30000       0.9726000     630.4553      -125.3 
1 1 1 19 27 4  o 3.235000       1.195000      241.7383      -83.7  
1 1 1 19 27 5  o 7.906000       1.064000      288.4701      48.3   
1 1 1 19 27 6  o 25.32000       1.202000      556.3555      -159.0 
1 1 1 19 27 7  o -0.1379000     1.082000      29.91895      -145.9 
1 1 1 19 27 8  o 8.068000       1.149000      460.9016      -141.6 
1 1 1 19 27 9  o 25.41000       1.334000      724.2335      -113.4 
1 1 1 19 27 10 o 1.160000       1.354000      105.1897      107.6  
1 1 1 19 27 11 o 18.72000       1.335000      680.7481      -104.8 
1 1 1 19 27 12 o 5.039000       1.030000      271.1046      36.0   
1 1 1 19 27 13 o 32.67000       1.375000      767.9785      -85.0  
1 1 1 19 27 14 o 21.96000       1.170000      555.3268      -139.5 
1 1 1 19 27 15 o 3.386000       1.161000      185.5345      115.5  
1 1 1 19 27 16 o 5.249000       1.097000      156.3182      -18.9  
1 1 1 19 27 17 o 8.944000       1.125000      370.8335      -64.8  
1 1 1 19 27 18 o 5.280000       1.098000      222.8566      -169.4 
1 1 1 19 27 19 o 20.37000       1.233000      616.3820      -83.8  
1 1 1 19 27 20 o 2.286000       1.088000      155.3090      -69.1  
1 1 1 19 27 21 o 1.788000       1.088000      138.3830      -57.4  
1 1 1 19 27 22 o 4.382000       1.085000      321.1058      171.4  
1 1 1 19 27 23 o 10.19000       1.082000      363.8348      -44.4  
1 1 1 19 27 24 o 5.538000       1.073000      265.3746      142.1  
1 1 1 19 27 25 o 24.36000       1.177000      606.1542      85.3   
1 1 1 19 27 26 o 12.49000       1.035000      487.7794      58.2   
1 1 1 19 27 27 o 12.29000       1.059000      591.1772      105.0  
1 1 1 19 27 28 o 4.694000       1.349000      380.4545      103.5  
1 1 1 19 27 29 o 3.318000       1.272000      152.8186      -68.8  
1 1 1 19 27 30 o 2.515000       1.239000      145.1433      -137.2 
1 1 1 19 27 31 o 2.270000       1.189000      213.9137      -151.4 
1 1 1 19 27 32 o 0.3619000      1.184000      172.1361      23.9   
1 1 1 19 27 33 o 5.005000       1.025000      199.4387      -123.9 
1 1 1 19 27 34 o 6.110000       1.051000      285.2303      130.6  
1 1 1 19 27 35 o -0.8219000     1.049000      72.71387      12.4   
1 1 1 19 27 36 o -0.9288000     1.252000      145.7792      -60.7  
1 1 1 19 27 37 o 12.49000       1.374000      429.3669      11.3   
1 1 1 19 27 38 o 7.924000       1.475000      455.5401      149.3  
1 1 1 19 27 39 o 4.173000       1.330000      268.0395      -8.3   
1 1 1 19 27 40 o 2.814000       1.220000      111.2439      -113.8 
1 1 1 19 27 41 o 1.292000       1.238000      165.0630      -136.1 
1 1 1 19 27 42 o 8.580000       1.317000      488.5848      -120.5 
1 1 1 19 27 43 o 2.724000       1.276000      254.0027      -165.8 
1 1 1 19 27 44 o 11.03000       1.344000      385.7658      -68.1  
1 1 1 19 27 45 o 9.952000       1.328000      442.9489      -85.2  
1 1 1 19 27 46 f 5.802000       1.358000      396.3956      -33.4  
1 1 1 19 27 47 o 11.00000       1.654000      501.9544      -169.1 
1 1 1 19 27 48 o 3.476000       1.438000      ?             ?      
1 1 1 19 27 49 o 11.26000       1.394000      ?             ?      
1 1 1 19 27 50 o 0.3101000      1.251000      ?             ?      
1 1 1 19 27 51 o 2.429000       1.235000      ?             ?      
1 1 1 19 27 52 o 1.876000       1.226000      ?             ?      
1 1 1 19 27 53 o 11.17000       1.811000      ?             ?      
1 1 1 19 27 54 o 3.856000       1.800000      ?             ?      
1 1 1 19 27 55 o 1.877000       1.569000      ?             ?      
1 1 1 19 27 56 o 0.2725000      1.210000      ?             ?      
1 1 1 19 27 57 o 1.365000       1.320000      ?             ?      
1 1 1 19 27 58 o 0.7366000      1.468000      ?             ?      
1 1 1 19 27 59 o -0.1176000     1.430000      ?             ?      
1 1 1 19 27 60 o 1.198000       1.385000      ?             ?      
1 1 1 19 27 61 o 2.144000       1.398000      ?             ?      
1 1 1 19 27 62 o -1.987000      1.550000      ?             ?      
1 1 1 19 27 63 o 1.172000       1.424000      ?             ?      
1 1 1 19 27 64 o 4.196000       1.277000      ?             ?      
1 1 1 19 27 65 o 3.132000       1.287000      ?             ?      
1 1 1 19 28 0  o 1.004000       1.159000      156.1009      -90.0  
1 1 1 19 28 1  o 6.158000       0.8440000     147.6571      110.4  
1 1 1 19 28 2  o 0.4723000      0.8722000     138.9943      179.9  
1 1 1 19 28 3  o 6.462000       0.9378000     280.0370      -104.8 
1 1 1 19 28 4  o 5.510000       0.9944000     267.7815      161.5  
1 1 1 19 28 5  o 0.4105000E-01  1.014000      422.5921      27.6   
1 1 1 19 28 6  o 15.99000       1.130000      494.0572      -10.8  
1 1 1 19 28 7  o 5.046000       1.084000      551.3790      -58.4  
1 1 1 19 28 8  o 30.28000       1.353000      789.3453      122.6  
1 1 1 19 28 9  o 7.446000       1.359000      459.4061      43.0   
1 1 1 19 28 10 o 13.29000       1.047000      482.9147      -65.6  
1 1 1 19 28 11 o 8.012000       1.149000      408.7491      124.9  
1 1 1 19 28 12 o -1.075000      1.068000      23.88591      21.9   
1 1 1 19 28 13 o 20.06000       1.139000      568.9509      156.8  
1 1 1 19 28 14 o 16.60000       1.106000      386.6540      -95.1  
1 1 1 19 28 15 o 12.40000       1.166000      511.9038      -27.6  
1 1 1 19 28 16 o 4.106000       1.099000      352.4966      89.0   
1 1 1 19 28 17 o 7.688000       1.102000      432.9443      -111.6 
1 1 1 19 28 18 o 0.4255000E-01  1.051000      162.6085      -32.4  
1 1 1 19 28 19 o 4.532000       1.070000      422.6689      -61.9  
1 1 1 19 28 20 o 2.194000       1.048000      133.4941      -150.1 
1 1 1 19 28 21 o 11.84000       1.114000      393.3153      153.1  
1 1 1 19 28 22 o 4.795000       1.081000      387.8309      -5.2   
1 1 1 19 28 23 o 35.50000       1.693000      777.9823      -167.1 
1 1 1 19 28 24 o 2.746000       0.9746000     317.8348      -141.9 
1 1 1 19 28 25 o 16.73000       1.119000      494.1419      -119.4 
1 1 1 19 28 26 o 1.397000       1.004000      228.9521      -128.8 
1 1 1 19 28 27 o 14.91000       1.086000      460.2157      70.6   
1 1 1 19 28 28 o 11.09000       1.198000      430.0256      -86.8  
1 1 1 19 28 29 o 4.853000       1.237000      290.7710      133.5  
1 1 1 19 28 30 o 17.18000       1.525000      493.8091      -8.8   
1 1 1 19 28 31 o 3.988000       1.285000      277.7689      46.4   
1 1 1 19 28 32 o 3.770000       1.138000      297.1971      -55.5  
1 1 1 19 28 33 o 20.16000       1.353000      772.9195      -154.2 
1 1 1 19 28 34 o 4.338000       1.075000      407.6788      -60.4  
1 1 1 19 28 35 o 8.579000       1.122000      324.4861      -150.0 
1 1 1 19 28 36 o 21.11000       1.250000      661.8391      119.6  
1 1 1 19 28 37 o 1.029000       1.289000      197.1533      100.5  
1 1 1 19 28 38 o 0.4177000      1.434000      190.5160      -83.1  
1 1 1 19 28 39 o 6.297000       1.355000      239.8081      -108.6 
1 1 1 19 28 40 o 2.578000       1.330000      239.6730      87.7   
1 1 1 19 28 41 o 3.721000       1.249000      342.9639      -158.2 
1 1 1 19 28 42 o -0.5065000     1.267000      204.5232      -76.6  
1 1 1 19 28 43 o 30.07000       1.548000      707.8206      -28.7  
1 1 1 19 28 44 o 9.050000       1.328000      435.6419      59.1   
1 1 1 19 28 45 o 9.303000       1.333000      487.5194      0.3    
1 1 1 19 28 46 o 4.554000       1.416000      295.2405      -60.3  
1 1 1 19 28 47 o 17.54000       1.725000      ?             ?      
1 1 1 19 28 48 o 3.016000       1.331000      ?             ?      
1 1 1 19 28 49 o 2.917000       1.266000      ?             ?      
1 1 1 19 28 50 o 14.10000       1.337000      ?             ?      
1 1 1 19 28 51 o 1.980000       1.345000      ?             ?      
1 1 1 19 28 52 o 2.523000       1.241000      ?             ?      
1 1 1 19 28 53 o 1.827000       1.503000      ?             ?      
1 1 1 19 28 54 o 3.079000       1.477000      ?             ?      
1 1 1 19 28 55 o 2.657000       1.316000      ?             ?      
1 1 1 19 28 56 o 2.139000       1.301000      ?             ?      
1 1 1 19 28 57 o 0.7968000      1.519000      ?             ?      
1 1 1 19 28 58 o 1.976000       1.488000      ?             ?      
1 1 1 19 28 59 o 2.173000       1.385000      ?             ?      
1 1 1 19 28 60 o 1.301000       1.328000      ?             ?      
1 1 1 19 28 61 o 1.034000       1.367000      ?             ?      
1 1 1 19 28 62 o -1.313000      1.856000      ?             ?      
1 1 1 19 28 63 o 1.066000       1.877000      ?             ?      
1 1 1 19 28 64 o 1.770000       1.270000      ?             ?      
1 1 1 19 28 65 o 0.3642000      1.296000      ?             ?      
1 1 1 19 29 0  o 22.70000       1.430000      781.3936      -90.0  
1 1 1 19 29 1  o 44.93000       1.464000      584.1635      -136.2 
1 1 1 19 29 2  o 18.03000       1.048000      760.3068      -2.8   
1 1 1 19 29 3  o 31.80000       1.237000      787.3595      -116.1 
1 1 1 19 29 4  o 8.694000       1.162000      476.3141      130.7  
1 1 1 19 29 5  o 20.70000       1.287000      547.6561      135.2  
1 1 1 19 29 6  o 4.020000       0.9857000     192.0276      41.2   
1 1 1 19 29 7  o 0.6523000      0.9169000     179.4689      -18.4  
1 1 1 19 29 8  o 22.24000       1.227000      710.1037      -117.5 
1 1 1 19 29 9  o 26.22000       1.533000      876.1329      -149.5 
1 1 1 19 29 10 o 3.954000       1.308000      361.0841      -38.1  
1 1 1 19 29 11 o 15.61000       1.170000      460.1103      -64.8  
1 1 1 19 29 12 o -0.3235000     1.033000      169.2219      -40.4  
1 1 1 19 29 13 o -0.6170000     0.9850000     95.64205      -167.2 
1 1 1 19 29 14 o 0.6659000      1.004000      249.6033      -178.0 
1 1 1 19 29 15 o 2.132000       1.015000      144.5581      -140.5 
1 1 1 19 29 16 o 4.926000       1.098000      489.2184      -11.7  
1 1 1 19 29 17 f 3.066000       1.078000      112.1459      -175.5 
1 1 1 19 29 18 o 13.65000       1.154000      542.5065      -109.6 
1 1 1 19 29 19 o 6.641000       1.092000      323.3803      171.3  
1 1 1 19 29 20 o 7.757000       1.075000      276.7012      -42.3  
1 1 1 19 29 21 o 3.864000       1.045000      209.0937      174.3  
1 1 1 19 29 22 o 1.587000       1.032000      290.4360      -109.0 
1 1 1 19 29 23 o 0.4056000E-01  1.040000      304.8003      -151.7 
1 1 1 19 29 24 o 5.291000       1.082000      361.0432      149.4  
1 1 1 19 29 25 o 6.939000       1.016000      376.6141      33.0   
1 1 1 19 29 26 o 17.04000       1.114000      567.7472      146.6  
1 1 1 19 29 27 o 2.962000       0.9852000     303.1417      87.9   
1 1 1 19 29 28 o 0.2554000      1.015000      133.6270      79.5   
1 1 1 19 29 29 o 2.232000       1.225000      281.9487      -133.7 
1 1 1 19 29 30 o 8.977000       1.461000      578.1486      149.3  
1 1 1 19 29 31 o 8.294000       1.308000      291.0627      82.0   
1 1 1 19 29 32 o 1.776000       1.046000      316.7719      -58.4  
1 1 1 19 29 33 o 19.38000       1.466000      606.7190      24.3   
1 1 1 19 29 34 o 16.30000       1.200000      598.7891      -86.9  
1 1 1 19 29 35 o -0.7395000     1.074000      267.3452      13.1   
1 1 1 19 29 36 o 1.648000       1.057000      253.0592      -160.9 
1 1 1 19 29 37 o 5.897000       1.283000      348.0786      116.6  
1 1 1 19 29 38 o 5.365000       1.410000      283.3527      143.6  
1 1 1 19 29 39 o 3.413000       1.511000      294.1607      -58.3  
1 1 1 19 29 40 o 7.090000       1.330000      367.8019      -171.5 
1 1 1 19 29 41 o 13.43000       1.336000      656.9988      -107.8 
1 1 1 19 29 42 o 13.11000       1.355000      639.4261      -174.3 
1 1 1 19 29 43 o 5.691000       1.289000      413.6805      -116.3 
1 1 1 19 29 44 o 7.314000       1.306000      478.4786      -30.5  
1 1 1 19 29 45 o 2.432000       1.326000      221.1906      -176.1 
1 1 1 19 29 46 o 1.540000       1.545000      ?             ?      
1 1 1 19 29 47 o 1.476000       1.439000      ?             ?      
1 1 1 19 29 48 o 3.590000       1.430000      ?             ?      
1 1 1 19 29 50 o 2.558000       1.245000      ?             ?      
1 1 1 19 29 51 o 4.005000       1.364000      ?             ?      
1 1 1 19 29 52 o 6.560000       1.249000      ?             ?      
1 1 1 19 29 53 o 1.915000       1.229000      ?             ?      
1 1 1 19 29 54 o -0.3771000     1.427000      ?             ?      
1 1 1 19 29 55 o 0.2584000      1.291000      ?             ?      
1 1 1 19 29 56 o 1.745000       1.433000      ?             ?      
1 1 1 19 29 57 o 1.914000       1.196000      ?             ?      
1 1 1 19 29 58 o 0.4876000      1.322000      ?             ?      
1 1 1 19 29 59 o 2.769000       1.490000      ?             ?      
1 1 1 19 29 60 o -0.2979000     1.472000      ?             ?      
1 1 1 19 29 61 o 0.1458000      1.518000      ?             ?      
1 1 1 19 29 62 o 1.443000       1.397000      ?             ?      
1 1 1 19 29 63 f 1.935000       1.255000      ?             ?      
1 1 1 19 29 64 o 3.180000       1.286000      ?             ?      
1 1 1 19 30 0  o 29.78000       1.564000      696.2393      90.0   
1 1 1 19 30 1  o 7.219000       0.9500000     481.8602      -167.3 
1 1 1 19 30 2  o 39.75000       1.382000      774.3290      -37.5  
1 1 1 19 30 3  o 8.166000       1.068000      395.6927      -176.1 
1 1 1 19 30 4  o 19.18000       1.140000      678.4541      -153.6 
1 1 1 19 30 5  o 21.61000       1.120000      711.1219      86.3   
1 1 1 19 30 6  o 19.61000       1.036000      685.0693      -32.0  
1 1 1 19 30 7  o 33.81000       1.261000      849.6430      75.0   
1 1 1 19 30 8  o 6.064000       1.245000      330.8955      88.9   
1 1 1 19 30 9  o 20.41000       1.428000      685.3757      73.5   
1 1 1 19 30 10 o 14.55000       1.440000      509.0226      132.0  
1 1 1 19 30 11 o 1.353000       1.044000      150.7428      45.2   
1 1 1 19 30 12 o 11.58000       1.140000      340.5220      -145.7 
1 1 1 19 30 13 o 20.11000       1.161000      429.0543      -30.6  
1 1 1 19 30 14 o 4.240000       1.016000      246.8700      -82.7  
1 1 1 19 30 15 o 37.49000       1.360000      839.6887      45.6   
1 1 1 19 30 16 o 12.14000       1.158000      480.9460      -51.8  
1 1 1 19 30 17 o 1.139000       1.085000      115.9176      -6.2   
1 1 1 19 30 18 o 9.151000       1.142000      435.8956      -50.9  
1 1 1 19 30 19 o 29.95000       1.371000      596.7034      -57.9  
1 1 1 19 30 20 o 18.70000       1.191000      554.2488      -144.8 
1 1 1 19 30 21 o 12.42000       1.108000      586.8311      65.5   
1 1 1 19 30 22 o 4.543000       1.034000      324.7559      -56.5  
1 1 1 19 30 23 o 11.62000       1.135000      575.7224      -137.6 
1 1 1 19 30 24 o 11.78000       1.148000      523.9847      -105.5 
1 1 1 19 30 25 o 2.118000       1.070000      125.1916      -45.4  
1 1 1 19 30 26 o 2.810000       0.9480000     374.8059      155.0  
1 1 1 19 30 27 o 0.5450000      0.9911000     187.8365      -62.6  
1 1 1 19 30 28 o 6.886000       1.314000      534.8417      -101.7 
1 1 1 19 30 29 o 3.097000       1.247000      191.2235      -85.7  
1 1 1 19 30 30 o 8.688000       1.282000      511.8884      13.9   
1 1 1 19 30 31 o 19.49000       1.442000      596.4786      57.3   
1 1 1 19 30 32 o 6.386000       1.305000      258.6451      -142.6 
1 1 1 19 30 33 o 2.612000       1.088000      165.2981      -91.5  
1 1 1 19 30 34 o -0.1638000     1.007000      244.9361      62.1   
1 1 1 19 30 35 o 8.648000       1.060000      452.6495      -108.8 
1 1 1 19 30 36 o -0.1997000     1.036000      200.7725      -131.0 
1 1 1 19 30 37 o 17.75000       1.266000      622.3745      -44.5  
1 1 1 19 30 38 o 3.029000       1.230000      201.7315      100.5  
1 1 1 19 30 39 o 0.9473000      1.289000      187.3978      -137.9 
1 1 1 19 30 40 o 3.988000       1.584000      261.6228      -44.0  
1 1 1 19 30 41 o 21.09000       1.601000      720.6100      -81.8  
1 1 1 19 30 42 o 11.04000       1.385000      454.6035      -8.4   
1 1 1 19 30 43 o 9.375000       1.284000      447.7683      -108.5 
1 1 1 19 30 44 o 31.58000       1.760000      746.2108      -13.4  
1 1 1 19 30 45 o 20.56000       1.563000      ?             ?      
1 1 1 19 30 46 o 9.121000       1.561000      ?             ?      
1 1 1 19 30 47 o 22.62000       1.750000      ?             ?      
1 1 1 19 30 48 o 9.686000       1.320000      ?             ?      
1 1 1 19 30 49 f 0.7300000      1.360000      ?             ?      
1 1 1 19 30 50 o 5.158000       1.221000      ?             ?      
1 1 1 19 30 51 o 7.413000       1.225000      ?             ?      
1 1 1 19 30 52 o 6.068000       1.319000      ?             ?      
1 1 1 19 30 53 o 3.925000       1.305000      ?             ?      
1 1 1 19 30 54 o -0.1561000     1.336000      ?             ?      
1 1 1 19 30 55 o -3.348000      1.412000      ?             ?      
1 1 1 19 30 56 o 1.124000       1.291000      ?             ?      
1 1 1 19 30 57 o -0.6506000     1.197000      ?             ?      
1 1 1 19 30 58 o 1.398000       1.210000      ?             ?      
1 1 1 19 30 59 o 4.811000       1.391000      ?             ?      
1 1 1 19 30 60 o 3.212000       1.762000      ?             ?      
1 1 1 19 30 61 o 1.464000       1.578000      ?             ?      
1 1 1 19 30 62 o 0.3076000      1.290000      ?             ?      
1 1 1 19 30 63 o -1.423000      1.249000      ?             ?      
1 1 1 19 30 64 o 0.4192000E-01  1.482000      ?             ?      
1 1 1 19 31 0  o 2.877000       1.346000      432.1188      -90.0  
1 1 1 19 31 1  o 0.4812000      0.9068000     272.4871      48.2   
1 1 1 19 31 2  o 4.502000       1.032000      328.1704      39.6   
1 1 1 19 31 3  o 15.29000       1.115000      586.3972      -172.7 
1 1 1 19 31 4  o 2.606000       0.9369000     325.7197      68.0   
1 1 1 19 31 5  o 16.96000       1.069000      619.9824      147.9  
1 1 1 19 31 6  o 2.715000       0.8907000     156.4629      -171.9 
1 1 1 19 31 7  o 12.82000       1.105000      472.8506      -124.9 
1 1 1 19 31 8  o 8.249000       1.308000      491.7108      -166.1 
1 1 1 19 31 9  o 29.50000       1.536000      734.5862      -140.5 
1 1 1 19 31 10 o -1.922000      1.033000      54.16921      104.2  
1 1 1 19 31 11 o 3.072000       1.091000      339.8622      -167.0 
1 1 1 19 31 12 o 29.62000       1.484000      683.3246      35.8   
1 1 1 19 31 13 o 9.206000       1.143000      377.0831      164.5  
1 1 1 19 31 14 o 5.980000       1.020000      288.0812      -104.7 
1 1 1 19 31 15 o 3.760000       1.034000      307.8420      134.1  
1 1 1 19 31 16 o 29.95000       1.719000      815.0751      142.8  
1 1 1 19 31 17 o 45.95000       1.758000      806.6306      40.1   
1 1 1 19 31 18 o -0.5802000     1.072000      122.2451      14.7   
1 1 1 19 31 19 o -1.768000      1.058000      14.66796      -120.1 
1 1 1 19 31 20 o 0.9659000      1.045000      169.4025      55.4   
1 1 1 19 31 21 o 1.514000       1.029000      226.4428      -125.5 
1 1 1 19 31 22 o 17.42000       1.141000      695.6169      -140.0 
1 1 1 19 31 23 o 0.6665000      1.015000      139.9267      50.5   
1 1 1 19 31 24 o 2.447000       1.086000      353.7705      74.6   
1 1 1 19 31 25 o 10.05000       1.142000      525.9349      -19.5  
1 1 1 19 31 26 o 7.974000       1.298000      414.1457      147.7  
1 1 1 19 31 27 o 23.37000       1.314000      783.0030      -35.8  
1 1 1 19 31 28 o 6.054000       1.062000      203.7655      -150.3 
1 1 1 19 31 29 o 4.379000       1.238000      296.7518      160.0  
1 1 1 19 31 30 o 8.785000       1.277000      449.8100      103.5  
1 1 1 19 31 31 o 9.473000       1.336000      376.4457      41.1   
1 1 1 19 31 32 o 1.698000       1.311000      368.9608      -140.6 
1 1 1 19 31 33 o 5.926000       1.180000      395.2589      -44.6  
1 1 1 19 31 34 o 11.64000       1.156000      562.3496      -55.0  
1 1 1 19 31 35 o 4.691000       1.082000      381.0914      102.1  
1 1 1 19 31 36 o 13.21000       1.178000      591.8692      57.0   
1 1 1 19 31 37 o 0.4431000      1.060000      154.2977      56.0   
1 1 1 19 31 38 o 9.263000       1.309000      467.2943      -172.2 
1 1 1 19 31 39 o 2.832000       1.195000      269.8914      -90.5  
1 1 1 19 31 40 o 4.731000       1.392000      382.6842      -10.8  
1 1 1 19 31 41 o 3.734000       1.470000      464.6712      -69.9  
1 1 1 19 31 42 o -0.1584000E-01 1.340000      156.5385      92.5   
1 1 1 19 31 43 o -1.334000      1.274000      162.8732      -51.4  
1 1 1 19 31 44 o 1.822000       1.499000      ?             ?      
1 1 1 19 31 45 o -1.159000      1.641000      ?             ?      
1 1 1 19 31 46 o 2.295000       1.407000      ?             ?      
1 1 1 19 31 47 o 4.946000       1.413000      ?             ?      
1 1 1 19 31 48 o 1.082000       1.195000      ?             ?      
1 1 1 19 31 49 o 15.99000       1.319000      ?             ?      
1 1 1 19 31 50 o -0.9075000     1.280000      ?             ?      
1 1 1 19 31 51 o 0.7989000      1.286000      ?             ?      
1 1 1 19 31 52 o 8.353000       1.389000      ?             ?      
1 1 1 19 31 53 o 1.511000       1.164000      ?             ?      
1 1 1 19 31 54 o -0.6557000     1.304000      ?             ?      
1 1 1 19 31 55 o 0.5738000E-01  1.336000      ?             ?      
1 1 1 19 31 56 o 2.292000       1.307000      ?             ?      
1 1 1 19 31 57 o 3.099000       1.313000      ?             ?      
1 1 1 19 31 58 o 1.374000       1.215000      ?             ?      
1 1 1 19 31 59 o 0.2236000      1.407000      ?             ?      
1 1 1 19 31 60 o 3.804000       3.693000      ?             ?      
1 1 1 19 31 61 o -1.727000      1.570000      ?             ?      
1 1 1 19 31 62 o 1.233000       1.257000      ?             ?      
1 1 1 19 31 63 o 2.627000       1.726000      ?             ?      
1 1 1 19 32 0  o 11.23000       1.480000      289.3603      90.0   
1 1 1 19 32 1  o 23.14000       1.150000      702.4290      -136.6 
1 1 1 19 32 2  o 0.1265000      1.002000      116.0809      -132.8 
1 1 1 19 32 3  o 11.36000       1.025000      582.9301      168.3  
1 1 1 19 32 4  o 9.207000       0.9908000     196.1714      -108.9 
1 1 1 19 32 5  o 10.72000       0.9409000     560.2919      80.3   
1 1 1 19 32 6  o 16.80000       1.108000      604.2634      -124.0 
1 1 1 19 32 7  o 23.35000       1.140000      764.0666      29.4   
1 1 1 19 32 8  o 2.196000       1.158000      174.4250      -43.1  
1 1 1 19 32 9  o 11.34000       1.263000      377.5008      152.6  
1 1 1 19 32 10 o 14.00000       1.111000      482.2531      -48.3  
1 1 1 19 32 11 o 0.8279000      1.024000      98.99938      -18.8  
1 1 1 19 32 12 o -2.694000      1.040000      55.49618      -104.1 
1 1 1 19 32 13 o 3.356000       1.064000      300.6569      31.9   
1 1 1 19 32 14 o 3.983000       1.068000      105.8955      -143.5 
1 1 1 19 32 15 o 36.09000       1.464000      722.8666      -62.7  
1 1 1 19 32 16 o 14.49000       1.179000      709.1862      -115.3 
1 1 1 19 32 17 o 16.04000       1.200000      460.8547      9.5    
1 1 1 19 32 18 o -0.4010000     1.048000      68.32799      70.5   
1 1 1 19 32 19 o 5.061000       1.073000      430.1195      -73.8  
1 1 1 19 32 20 o 3.837000       1.037000      247.7482      -58.6  
1 1 1 19 32 21 o 3.469000       1.029000      365.1775      -179.3 
1 1 1 19 32 22 o 0.3339000      1.002000      74.90342      56.3   
1 1 1 19 32 23 o 10.83000       1.076000      606.3913      -146.7 
1 1 1 19 32 24 f 0.8750000      1.031000      182.8305      70.8   
1 1 1 19 32 25 o 5.687000       1.285000      331.1627      75.8   
1 1 1 19 32 26 o 3.513000       1.224000      341.1559      84.6   
1 1 1 19 32 27 o 7.955000       1.201000      427.5471      -107.3 
1 1 1 19 32 28 o 1.841000       0.9990000     129.8753      149.8  
1 1 1 19 32 29 o 2.025000       1.195000      100.7959      44.2   
1 1 1 19 32 30 o 2.996000       1.109000      233.7654      59.3   
1 1 1 19 32 31 o 2.026000       1.124000      359.7788      -105.6 
1 1 1 19 32 32 o 0.9887000      1.180000      23.72323      -12.0  
1 1 1 19 32 33 o 4.338000       1.100000      324.0619      39.0   
1 1 1 19 32 34 o 1.055000       1.115000      220.0131      124.9  
1 1 1 19 32 35 o 9.220000       1.164000      582.5913      112.0  
1 1 1 19 32 36 o -0.2202000     1.115000      215.1805      -66.9  
1 1 1 19 32 37 o 0.4709000      1.067000      222.0060      -58.9  
1 1 1 19 32 38 o 14.59000       1.215000      483.7523      97.3   
1 1 1 19 32 39 o -0.8360000     1.129000      87.73051      -103.5 
1 1 1 19 32 40 o 5.737000       1.259000      396.6141      -1.9   
1 1 1 19 32 41 o 7.325000       1.403000      351.3642      160.0  
1 1 1 19 32 42 o 1.948000       1.333000      278.2793      -163.6 
1 1 1 19 32 43 o -0.3743000     1.425000      ?             ?      
1 1 1 19 32 44 f 13.74000       1.694000      ?             ?      
1 1 1 19 32 45 o 7.340000       1.862000      ?             ?      
1 1 1 19 32 46 o 4.270000       1.265000      ?             ?      
1 1 1 19 32 47 o -0.9366000     1.248000      ?             ?      
1 1 1 19 32 48 o 0.5150000      1.392000      ?             ?      
1 1 1 19 32 49 o 0.1074000      1.204000      ?             ?      
1 1 1 19 32 50 o 3.185000       1.323000      ?             ?      
1 1 1 19 32 51 o 11.69000       1.264000      ?             ?      
1 1 1 19 32 52 o -0.7931000E-01 1.159000      ?             ?      
1 1 1 19 32 53 o 0.5873000      1.149000      ?             ?      
1 1 1 19 32 54 o 4.967000       1.191000      ?             ?      
1 1 1 19 32 55 o 1.160000       1.346000      ?             ?      
1 1 1 19 32 56 o 5.047000       1.452000      ?             ?      
1 1 1 19 32 57 o 0.6129000      1.301000      ?             ?      
1 1 1 19 32 58 o 3.780000       1.241000      ?             ?      
1 1 1 19 32 59 o 0.9232000E-01  1.372000      ?             ?      
1 1 1 19 32 60 o 2.943000       1.690000      ?             ?      
1 1 1 19 32 61 o -0.5496000E-01 1.604000      ?             ?      
1 1 1 19 32 62 o 0.5218000      1.381000      ?             ?      
1 1 1 19 33 0  o -1.255000      1.408000      83.56883      90.0   
1 1 1 19 33 1  o 7.424000       1.177000      328.4539      78.5   
1 1 1 19 33 2  o 3.667000       1.030000      342.0933      59.3   
1 1 1 19 33 3  o 6.067000       0.9655000     454.5339      -26.4  
1 1 1 19 33 4  o 0.9295000      0.8646000     134.3517      25.7   
1 1 1 19 33 5  o 9.857000       0.9262000     419.4274      166.2  
1 1 1 19 33 6  o 6.468000       0.9235000     383.6506      147.2  
1 1 1 19 33 7  o 0.7621000      0.9620000     83.21030      -45.2  
1 1 1 19 33 8  o 6.801000       1.207000      324.2444      43.9   
1 1 1 19 33 9  o 11.03000       1.079000      585.3328      166.7  
1 1 1 19 33 10 o 5.797000       1.040000      391.7220      -133.2 
1 1 1 19 33 11 o 2.251000       1.047000      274.5044      9.1    
1 1 1 19 33 12 o 9.628000       1.120000      400.2393      -176.5 
1 1 1 19 33 13 o 9.302000       1.105000      365.6994      111.1  
1 1 1 19 33 14 o 8.705000       1.096000      262.1354      -12.1  
1 1 1 19 33 15 o -0.6399000E-01 1.046000      208.4977      -128.8 
1 1 1 19 33 16 o 7.745000       1.101000      353.3304      97.0   
1 1 1 19 33 17 o 3.781000       1.060000      378.8604      41.2   
1 1 1 19 33 18 o 23.92000       1.280000      855.7189      165.2  
1 1 1 19 33 19 o 0.1405000      1.031000      68.29922      -47.7  
1 1 1 19 33 20 o 4.234000       1.045000      364.0691      29.1   
1 1 1 19 33 21 o 3.331000       1.057000      329.9879      -32.3  
1 1 1 19 33 22 o 4.337000       1.052000      335.9251      -85.6  
1 1 1 19 33 23 o 19.93000       1.210000      673.8163      95.3   
1 1 1 19 33 24 o 23.63000       1.271000      725.8983      -150.8 
1 1 1 19 33 25 o 6.010000       1.219000      429.0605      7.7    
1 1 1 19 33 26 o 15.36000       1.380000      499.7966      -25.7  
1 1 1 19 33 27 o -0.8690000     1.081000      90.47612      -63.7  
1 1 1 19 33 28 o 3.468000       1.223000      214.0115      110.6  
1 1 1 19 33 29 o 3.444000       1.042000      368.2236      -15.4  
1 1 1 19 33 30 o 6.883000       1.066000      306.9904      156.2  
1 1 1 19 33 31 o 1.236000       1.057000      146.6148      143.0  
1 1 1 19 33 32 o 6.508000       1.198000      422.6040      -164.6 
1 1 1 19 33 33 o 3.984000       1.238000      277.3389      -137.9 
1 1 1 19 33 34 o -0.3892000     1.106000      104.9275      178.7  
1 1 1 19 33 35 o 7.366000       1.176000      500.0115      77.9   
1 1 1 19 33 36 o -0.8316000     1.052000      102.0875      -138.2 
1 1 1 19 33 37 o 4.583000       1.145000      326.1396      -90.0  
1 1 1 19 33 38 o -0.7154000E-02 1.136000      136.4486      80.2   
1 1 1 19 33 39 o 0.3118000      1.161000      92.98376      121.7  
1 1 1 19 33 40 o 5.550000       1.372000      405.9379      -35.6  
1 1 1 19 33 41 o 1.215000       1.492000      258.3704      -117.7 
1 1 1 19 33 42 o 5.875000       1.531000      ?             ?      
1 1 1 19 33 43 o 0.3800000      1.494000      ?             ?      
1 1 1 19 33 44 o 2.921000       1.458000      ?             ?      
1 1 1 19 33 45 o 2.426000       1.315000      ?             ?      
1 1 1 19 33 46 o 4.956000       1.345000      ?             ?      
1 1 1 19 33 47 o 1.093000       1.397000      ?             ?      
1 1 1 19 33 48 o 1.945000       1.379000      ?             ?      
1 1 1 19 33 49 o 2.905000       1.145000      ?             ?      
1 1 1 19 33 50 o -2.060000      1.194000      ?             ?      
1 1 1 19 33 51 o -0.2068000     1.205000      ?             ?      
1 1 1 19 33 52 o -0.1590000     1.149000      ?             ?      
1 1 1 19 33 53 o -1.187000      1.145000      ?             ?      
1 1 1 19 33 54 o 0.3746000      1.162000      ?             ?      
1 1 1 19 33 55 o 3.043000       1.346000      ?             ?      
1 1 1 19 33 56 o 0.6941000      1.349000      ?             ?      
1 1 1 19 33 57 o -0.7713000E-02 1.308000      ?             ?      
1 1 1 19 33 58 o 2.668000       1.389000      ?             ?      
1 1 1 19 33 59 o -0.4768000     1.472000      ?             ?      
1 1 1 19 33 60 o 3.748000       1.622000      ?             ?      
1 1 1 19 33 61 o 1.579000       1.379000      ?             ?      
1 1 1 19 33 62 o 0.6744000      1.505000      ?             ?      
1 1 1 19 34 0  o 11.84000       1.595000      454.1979      90.0   
1 1 1 19 34 1  o 10.07000       1.271000      394.4070      151.2  
1 1 1 19 34 2  o 6.977000       1.120000      288.9091      104.4  
1 1 1 19 34 3  o 7.828000       0.9788000     353.0319      154.7  
1 1 1 19 34 4  o 2.810000       0.8697000     94.86205      164.5  
1 1 1 19 34 5  o 0.9897000      0.9061000     237.9322      17.7   
1 1 1 19 34 6  o 3.368000       0.9225000     322.5699      140.8  
1 1 1 19 34 7  o 5.235000       1.003000      351.0141      17.5   
1 1 1 19 34 8  o 4.726000       1.209000      524.0316      -156.8 
1 1 1 19 34 9  o 4.252000       1.020000      375.1382      -104.9 
1 1 1 19 34 10 o 3.136000       1.023000      144.0762      -48.0  
1 1 1 19 34 11 o 8.157000       1.081000      373.9297      -52.6  
1 1 1 19 34 12 o 10.59000       1.151000      485.8249      41.9   
1 1 1 19 34 13 o 8.815000       1.116000      571.6180      -49.0  
1 1 1 19 34 14 o 6.207000       1.328000      491.4791      -89.3  
1 1 1 19 34 15 o 15.36000       1.168000      626.2944      -68.3  
1 1 1 19 34 16 o 1.618000       1.171000      171.2231      -99.4  
1 1 1 19 34 17 o 3.662000       1.041000      334.5887      -113.8 
1 1 1 19 34 18 o 5.788000       1.104000      344.0412      51.8   
1 1 1 19 34 19 o 1.001000       1.043000      136.4155      -131.2 
1 1 1 19 34 20 o 12.65000       1.144000      573.6188      130.8  
1 1 1 19 34 21 o 6.291000       1.093000      413.7299      -159.4 
1 1 1 19 34 22 o 4.354000       1.082000      293.4852      -12.9  
1 1 1 19 34 23 o 2.101000       1.072000      392.7525      -85.8  
1 1 1 19 34 24 o 3.763000       1.243000      381.0673      73.2   
1 1 1 19 34 25 o 0.9431000      1.174000      89.15836      61.0   
1 1 1 19 34 26 o 1.109000       1.086000      163.9072      91.4   
1 1 1 19 34 27 o 0.1256000      1.092000      51.63956      49.2   
1 1 1 19 34 28 o 1.786000       1.238000      223.2241      64.4   
1 1 1 19 34 29 o 0.4355000      1.110000      147.7013      22.2   
1 1 1 19 34 30 o 2.740000       1.062000      248.5230      109.0  
1 1 1 19 34 31 o 30.37000       1.414000      758.2302      -117.1 
1 1 1 19 34 32 o 1.427000       1.086000      113.7641      -84.6  
1 1 1 19 34 33 o -0.3043000     1.172000      201.3565      153.9  
1 1 1 19 34 34 o 0.3442000E-01  1.117000      206.4152      114.8  
1 1 1 19 34 35 o 28.59000       1.635000      796.7469      92.5   
1 1 1 19 34 36 o 2.012000       1.090000      251.8505      -105.6 
1 1 1 19 34 37 o 5.158000       1.113000      409.6770      -105.8 
1 1 1 19 34 38 o 1.752000       1.240000      309.0224      96.9   
1 1 1 19 34 39 o 5.215000       1.194000      319.6936      88.8   
1 1 1 19 34 40 o 3.044000       1.242000      273.3629      -93.8  
1 1 1 19 34 41 o -0.5004000     1.314000      ?             ?      
1 1 1 19 34 42 o 2.619000       1.353000      ?             ?      
1 1 1 19 34 43 o 0.6555000      1.930000      ?             ?      
1 1 1 19 34 44 o 2.868000       1.919000      ?             ?      
1 1 1 19 34 45 o 0.9628000      1.567000      ?             ?      
1 1 1 19 34 46 o 1.161000       1.401000      ?             ?      
1 1 1 19 34 47 o 0.2937000      1.120000      ?             ?      
1 1 1 19 34 48 f 2.432000       1.134000      ?             ?      
1 1 1 19 34 49 o -1.579000      1.152000      ?             ?      
1 1 1 19 34 50 o -0.2344000     1.152000      ?             ?      
1 1 1 19 34 51 o 0.2141000      1.170000      ?             ?      
1 1 1 19 34 52 o 2.879000       1.168000      ?             ?      
1 1 1 19 34 53 o 0.5633000      1.221000      ?             ?      
1 1 1 19 34 54 o -0.1318000E-01 1.220000      ?             ?      
1 1 1 19 34 55 o 3.355000       1.275000      ?             ?      
1 1 1 19 34 56 o 3.885000       1.377000      ?             ?      
1 1 1 19 34 57 o 1.429000       1.565000      ?             ?      
1 1 1 19 34 58 o 3.088000       1.512000      ?             ?      
1 1 1 19 34 59 o 0.7490000      1.380000      ?             ?      
1 1 1 19 34 60 f 1.922000       1.281000      ?             ?      
1 1 1 19 34 61 o -2.091000      1.679000      ?             ?      
1 1 1 19 35 0  o -0.5383000     1.862000      175.2534      90.0   
1 1 1 19 35 1  o -1.862000      1.149000      57.34322      3.4    
1 1 1 19 35 2  o 0.9180000      1.118000      185.2101      69.2   
1 1 1 19 35 3  o -0.1743000E-01 0.8604000     142.2117      70.5   
1 1 1 19 35 4  o 6.258000       0.9229000     356.7435      -117.6 
1 1 1 19 35 5  o 5.988000       0.9787000     421.4533      -88.1  
1 1 1 19 35 6  o 3.419000       0.9945000     219.5508      95.5   
1 1 1 19 35 7  o 2.189000       0.9465000     321.1691      -167.9 
1 1 1 19 35 8  o 5.835000       1.230000      372.8708      -112.7 
1 1 1 19 35 9  o 0.6752000      1.002000      170.1880      -151.0 
1 1 1 19 35 10 o 3.650000       1.015000      410.5807      36.2   
1 1 1 19 35 11 o 2.088000       1.014000      108.0703      103.5  
1 1 1 19 35 12 o 0.5832000      1.035000      251.3467      60.7   
1 1 1 19 35 13 o 32.73000       1.565000      807.5057      82.3   
1 1 1 19 35 14 o 5.725000       1.062000      353.9677      -32.5  
1 1 1 19 35 15 o 0.4761000      1.034000      47.81981      67.1   
1 1 1 19 35 16 o 1.987000       1.193000      194.8608      102.0  
1 1 1 19 35 17 o 7.527000       1.255000      439.3785      -170.0 
1 1 1 19 35 18 o 9.914000       1.112000      419.3254      -169.7 
1 1 1 19 35 19 o -0.5056000     1.043000      113.9677      156.5  
1 1 1 19 35 20 o 2.699000       1.084000      216.8601      27.6   
1 1 1 19 35 21 o -0.2128000     1.070000      109.3487      91.3   
1 1 1 19 35 22 o -0.7966000     1.066000      100.8569      127.8  
1 1 1 19 35 23 o 8.297000       1.154000      455.6282      96.7   
1 1 1 19 35 24 o 7.933000       1.311000      366.1190      -100.7 
1 1 1 19 35 25 o 1.652000       1.258000      306.1733      73.0   
1 1 1 19 35 26 o 0.5703000      1.115000      166.5100      78.7   
1 1 1 19 35 27 o 7.703000       1.323000      432.0263      167.0  
1 1 1 19 35 28 o 0.1541000      1.282000      110.0210      -23.0  
1 1 1 19 35 29 o 1.192000       1.127000      231.4973      118.7  
1 1 1 19 35 30 o 0.6901000      1.164000      13.60398      52.4   
1 1 1 19 35 31 o 0.5720000      1.563000      184.4317      -56.8  
1 1 1 19 35 32 o 0.1806000      1.058000      112.6627      163.0  
1 1 1 19 35 33 o 0.2822000      1.162000      118.9882      136.4  
1 1 1 19 35 34 o 3.776000       1.223000      340.9168      172.5  
1 1 1 19 35 35 o -0.5798000     1.345000      126.1911      17.0   
1 1 1 19 35 36 o 6.038000       1.364000      404.2133      -161.6 
1 1 1 19 35 37 o 0.4377000      1.144000      221.5405      45.4   
1 1 1 19 35 38 o 1.272000       1.181000      176.6872      -52.0  
1 1 1 19 35 39 o 0.9460000      1.104000      230.0337      -115.1 
1 1 1 19 35 40 o 0.4092000      1.111000      ?             ?      
1 1 1 19 35 41 o 3.172000       1.188000      ?             ?      
1 1 1 19 35 42 o -0.2645000     1.340000      ?             ?      
1 1 1 19 35 43 o -0.2114000     1.552000      ?             ?      
1 1 1 19 35 44 o 5.541000       2.494000      ?             ?      
1 1 1 19 35 45 o -0.5565000     1.394000      ?             ?      
1 1 1 19 35 46 o 4.284000       1.155000      ?             ?      
1 1 1 19 35 47 o -0.6909000     1.113000      ?             ?      
1 1 1 19 35 48 o -1.226000      1.132000      ?             ?      
1 1 1 19 35 49 o -0.5763000     1.133000      ?             ?      
1 1 1 19 35 50 o 2.386000       1.117000      ?             ?      
1 1 1 19 35 51 o 2.830000       1.145000      ?             ?      
1 1 1 19 35 52 o -0.8957000     1.122000      ?             ?      
1 1 1 19 35 53 o 0.8864000      1.169000      ?             ?      
1 1 1 19 35 54 o 2.158000       1.203000      ?             ?      
1 1 1 19 35 55 o 1.039000       1.175000      ?             ?      
1 1 1 19 35 56 o 0.1493000      1.401000      ?             ?      
1 1 1 19 35 57 o 2.857000       1.666000      ?             ?      
1 1 1 19 35 58 o 1.167000       1.793000      ?             ?      
1 1 1 19 35 59 o 0.3079000E-01  1.377000      ?             ?      
1 1 1 19 35 60 o 0.3076000      1.219000      ?             ?      
1 1 1 19 36 0  o -1.727000      1.891000      100.5725      90.0   
1 1 1 19 36 1  o 10.03000       1.309000      390.2989      111.7  
1 1 1 19 36 2  o -0.4214000     1.112000      62.66340      44.7   
1 1 1 19 36 3  o -0.6813000     0.8958000     72.32122      -73.1  
1 1 1 19 36 4  o 6.907000       1.058000      476.3351      -6.7   
1 1 1 19 36 5  o 8.669000       0.9876000     519.6291      9.2    
1 1 1 19 36 6  o 7.304000       1.013000      440.7659      -97.5  
1 1 1 19 36 7  o 4.177000       0.9436000     286.1302      -20.0  
1 1 1 19 36 8  o 2.280000       0.8939000     160.8747      -171.8 
1 1 1 19 36 9  o 1.261000       1.023000      120.4159      124.6  
1 1 1 19 36 10 o 1.739000       1.009000      105.8154      -147.7 
1 1 1 19 36 11 o 8.847000       1.032000      433.8972      -12.1  
1 1 1 19 36 12 o 1.933000       1.018000      231.8479      -155.7 
1 1 1 19 36 13 o 0.2330000      1.010000      68.45335      -151.0 
1 1 1 19 36 14 o -2.238000      1.014000      142.1286      -159.0 
1 1 1 19 36 15 o -1.593000      1.033000      62.28779      4.8    
1 1 1 19 36 16 o 8.022000       1.280000      428.6238      137.6  
1 1 1 19 36 17 o 1.460000       1.219000      191.3914      -67.6  
1 1 1 19 36 18 o -1.428000      1.210000      21.59431      -108.6 
1 1 1 19 36 19 o 3.276000       1.085000      309.9080      164.9  
1 1 1 19 36 20 o 4.746000       1.113000      428.8145      -98.2  
1 1 1 19 36 21 o -1.704000      1.091000      36.90052      99.5   
1 1 1 19 36 22 o -0.8626000     1.103000      112.4202      -35.3  
1 1 1 19 36 23 o 6.701000       1.386000      294.7746      -41.8  
1 1 1 19 36 24 o 4.088000       1.385000      308.8080      -135.3 
1 1 1 19 36 25 o -2.366000      1.175000      101.7617      -97.0  
1 1 1 19 36 26 o 2.310000       1.188000      240.5164      33.5   
1 1 1 19 36 27 o 0.5535000      1.324000      57.06934      -88.1  
1 1 1 19 36 28 o 3.153000       1.165000      211.2792      -99.7  
1 1 1 19 36 29 o 10.09000       1.263000      505.0177      82.5   
1 1 1 19 36 30 o -0.7402000     1.191000      160.3468      42.0   
1 1 1 19 36 31 o 8.109000       1.634000      369.7583      -124.7 
1 1 1 19 36 32 o 7.490000       1.709000      380.0619      -154.6 
1 1 1 19 36 33 o 1.942000       1.703000      21.58733      85.9   
1 1 1 19 36 34 o 3.620000       1.861000      280.4493      151.1  
1 1 1 19 36 35 o 0.5233000      1.645000      41.82405      2.8    
1 1 1 19 36 36 o 4.708000       1.379000      389.4781      -162.3 
1 1 1 19 36 37 o 1.975000       1.090000      219.9030      -73.8  
1 1 1 19 36 38 o 1.324000       1.082000      11.31998      119.4  
1 1 1 19 36 39 o -0.2686000     1.150000      ?             ?      
1 1 1 19 36 40 o 2.883000       1.185000      ?             ?      
1 1 1 19 36 41 o 1.941000       1.297000      ?             ?      
1 1 1 19 36 42 o -0.2928000     1.211000      ?             ?      
1 1 1 19 36 43 o 0.1887000      1.403000      ?             ?      
1 1 1 19 36 44 o 1.050000       1.362000      ?             ?      
1 1 1 19 36 45 o 1.256000       1.226000      ?             ?      
1 1 1 19 36 46 o 2.614000       1.228000      ?             ?      
1 1 1 19 36 47 o -0.4620000     1.177000      ?             ?      
1 1 1 19 36 48 o -0.9742000     1.167000      ?             ?      
1 1 1 19 36 49 o 1.547000       1.106000      ?             ?      
1 1 1 19 36 50 o -1.879000      1.203000      ?             ?      
1 1 1 19 36 51 o 1.111000       1.164000      ?             ?      
1 1 1 19 36 52 o 0.2360000      1.162000      ?             ?      
1 1 1 19 36 53 o 0.9009000      1.145000      ?             ?      
1 1 1 19 36 54 o -0.5255000     1.145000      ?             ?      
1 1 1 19 36 55 o 2.785000       1.176000      ?             ?      
1 1 1 19 36 56 o -1.100000      1.269000      ?             ?      
1 1 1 19 36 57 o -0.4770000     1.800000      ?             ?      
1 1 1 19 36 58 o 2.353000       2.369000      ?             ?      
1 1 1 19 36 59 o 1.802000       1.525000      ?             ?      
1 1 1 19 37 0  o 0.9101000      1.500000      53.29847      90.0   
1 1 1 19 37 1  o 3.511000       1.239000      358.3853      67.6   
1 1 1 19 37 2  o 9.600000       1.018000      377.9643      110.8  
1 1 1 19 37 3  o 0.1480000      0.9260000     46.44650      -12.9  
1 1 1 19 37 4  o 5.785000       0.9386000     290.4695      -69.7  
1 1 1 19 37 5  o 2.637000       0.9283000     301.9041      55.3   
1 1 1 19 37 6  o 17.28000       1.294000      636.9597      101.6  
1 1 1 19 37 7  o 1.493000       0.9397000     157.4069      -141.1 
1 1 1 19 37 8  o 1.452000       0.8990000     188.1378      119.7  
1 1 1 19 37 9  o 0.3919000      1.048000      106.3727      -66.1  
1 1 1 19 37 10 o 1.841000       1.040000      220.5641      36.3   
1 1 1 19 37 11 o 0.4003000      0.9960000     146.8745      -93.3  
1 1 1 19 37 12 o 6.595000       1.063000      438.4440      82.3   
1 1 1 19 37 13 o -0.8541000E-01 1.009000      193.1911      98.5   
1 1 1 19 37 14 o 1.162000       1.028000      239.2611      26.9   
1 1 1 19 37 15 o 1.374000       1.044000      148.5804      -65.2  
1 1 1 19 37 16 o -0.4271000     1.234000      180.1369      123.5  
1 1 1 19 37 17 o 0.2557000      1.239000      96.88197      -140.4 
1 1 1 19 37 18 o 0.1477000      1.234000      103.8249      85.1   
1 1 1 19 37 19 o 1.155000       1.241000      138.6654      27.2   
1 1 1 19 37 20 o -1.195000      1.125000      112.0655      -51.0  
1 1 1 19 37 21 o 1.160000       1.134000      136.8447      -97.3  
1 1 1 19 37 22 o 0.7626000E-02  1.188000      129.1439      139.6  
1 1 1 19 37 23 o 9.014000       1.474000      401.8902      42.5   
1 1 1 19 37 24 o 0.3488000      1.265000      169.7748      19.8   
1 1 1 19 37 25 o 0.1596000      1.250000      220.3075      86.1   
1 1 1 19 37 26 o 3.566000       1.479000      281.1593      105.2  
1 1 1 19 37 27 o 0.4605000E-01  1.394000      191.5572      -172.1 
1 1 1 19 37 28 o 0.6181000      1.209000      101.9662      -72.0  
1 1 1 19 37 29 o 2.587000       1.240000      216.1858      144.9  
1 1 1 19 37 30 o 4.349000       1.261000      172.5450      -37.9  
1 1 1 19 37 31 o 0.2832000E-01  1.267000      150.0696      -38.1  
1 1 1 19 37 32 o 0.3979000      1.644000      130.7070      -141.6 
1 1 1 19 37 33 o 0.7487000      1.858000      164.2138      -21.4  
1 1 1 19 37 34 o 3.407000       1.220000      336.3128      166.7  
1 1 1 19 37 35 o 5.612000       1.245000      461.7235      -93.7  
1 1 1 19 37 36 o 2.033000       1.143000      259.4590      108.9  
1 1 1 19 37 37 o 5.792000       1.160000      ?             ?      
1 1 1 19 37 38 o -0.2957000E-01 1.186000      ?             ?      
1 1 1 19 37 39 o 0.1281000      1.171000      ?             ?      
1 1 1 19 37 40 o -1.132000      1.053000      ?             ?      
1 1 1 19 37 41 o 5.244000       1.116000      ?             ?      
1 1 1 19 37 42 o -1.790000      1.149000      ?             ?      
1 1 1 19 37 43 o 2.228000       1.104000      ?             ?      
1 1 1 19 37 44 o 0.8820000      1.173000      ?             ?      
1 1 1 19 37 45 o 2.527000       1.260000      ?             ?      
1 1 1 19 37 46 o 0.3950000E-02  1.186000      ?             ?      
1 1 1 19 37 47 o 0.7943000      1.184000      ?             ?      
1 1 1 19 37 48 o -0.4356000     1.058000      ?             ?      
1 1 1 19 37 49 o 0.2713000      1.079000      ?             ?      
1 1 1 19 37 50 o 0.9874000      1.179000      ?             ?      
1 1 1 19 37 51 o 3.240000       1.213000      ?             ?      
1 1 1 19 37 52 o -0.8411000E-01 1.215000      ?             ?      
1 1 1 19 37 53 o -0.1362000     1.135000      ?             ?      
1 1 1 19 37 54 o 1.507000       1.193000      ?             ?      
1 1 1 19 37 55 o 1.397000       1.186000      ?             ?      
1 1 1 19 37 56 o 0.3293000      1.277000      ?             ?      
1 1 1 19 37 57 o 0.2710000      1.424000      ?             ?      
1 1 1 19 37 58 o 0.1415000      1.475000      ?             ?      
1 1 1 19 37 59 o 2.210000       2.583000      ?             ?      
1 1 1 19 38 0  o -0.7423000     1.502000      181.2423      -90.0  
1 1 1 19 38 1  o 0.3056000      1.062000      142.5539      -164.8 
1 1 1 19 38 2  o 2.817000       1.045000      185.2869      -79.7  
1 1 1 19 38 3  o 3.751000       0.9531000     237.0514      -78.1  
1 1 1 19 38 4  o -0.6758000     0.9851000     135.6590      -125.8 
1 1 1 19 38 5  o 2.059000       0.9375000     21.76919      142.1  
1 1 1 19 38 6  o 7.036000       0.9530000     376.3658      -118.4 
1 1 1 19 38 7  o 1.857000       0.8904000     192.3139      131.4  
1 1 1 19 38 8  o 2.033000       0.9017000     164.3789      13.6   
1 1 1 19 38 9  o 11.64000       1.148000      422.6900      86.8   
1 1 1 19 38 10 o 5.743000       1.077000      381.6872      -12.1  
1 1 1 19 38 11 o 1.496000       1.003000      246.0323      179.2  
1 1 1 19 38 12 o 2.053000       1.036000      250.8364      170.4  
1 1 1 19 38 13 o 5.819000       1.064000      395.2720      123.1  
1 1 1 19 38 14 o 0.7452000      1.046000      98.37648      -162.6 
1 1 1 19 38 15 o 2.620000       1.081000      275.2318      156.2  
1 1 1 19 38 16 o 8.676000       1.321000      357.2063      121.9  
1 1 1 19 38 17 o -0.9559000     1.255000      15.85147      -86.8  
1 1 1 19 38 18 o 0.7652000      1.287000      167.1427      -30.1  
1 1 1 19 38 19 o -1.378000      1.297000      115.4254      -71.2  
1 1 1 19 38 20 o 1.361000       1.355000      147.7120      65.4   
1 1 1 19 38 21 o 1.775000       1.209000      53.15536      143.8  
1 1 1 19 38 22 o -0.3648000     1.410000      90.28911      -159.3 
1 1 1 19 38 23 o 0.9260000      1.472000      109.6304      130.9  
1 1 1 19 38 24 o 3.849000       1.327000      278.3956      -178.9 
1 1 1 19 38 25 o 12.65000       1.427000      440.9201      104.7  
1 1 1 19 38 26 o 2.017000       1.523000      88.93489      3.6    
1 1 1 19 38 27 o 2.570000       1.281000      122.4133      -80.9  
1 1 1 19 38 28 o 0.3039000      1.266000      185.9391      79.2   
1 1 1 19 38 29 f 12.24000       1.380000      385.5536      33.6   
1 1 1 19 38 30 o 4.400000       1.355000      339.3047      -59.7  
1 1 1 19 38 31 o -0.4541000     1.292000      29.82067      -149.3 
1 1 1 19 38 32 o 5.120000       1.701000      184.3563      -101.4 
1 1 1 19 38 33 o 0.6239000      1.650000      115.0655      -41.3  
1 1 1 19 38 34 o 1.087000       1.768000      107.2422      96.0   
1 1 1 19 38 35 o 1.433000       1.199000      46.53647      154.9  
1 1 1 19 38 36 o -0.2470000     1.171000      ?             ?      
1 1 1 19 38 37 o 3.215000       1.194000      ?             ?      
1 1 1 19 38 38 o 2.131000       1.019000      ?             ?      
1 1 1 19 38 39 o 0.5547000      1.005000      ?             ?      
1 1 1 19 38 40 o 3.990000       1.077000      ?             ?      
1 1 1 19 38 41 o 2.488000       1.185000      ?             ?      
1 1 1 19 38 42 o -0.6881000     1.142000      ?             ?      
1 1 1 19 38 43 o 3.094000       1.042000      ?             ?      
1 1 1 19 38 44 o -0.5380000E-01 1.102000      ?             ?      
1 1 1 19 38 45 o -0.3789000     1.099000      ?             ?      
1 1 1 19 38 46 o 1.422000       1.251000      ?             ?      
1 1 1 19 38 47 o 0.9364000      1.178000      ?             ?      
1 1 1 19 38 48 o 0.7500000      1.067000      ?             ?      
1 1 1 19 38 49 o -0.2167000     1.027000      ?             ?      
1 1 1 19 38 50 o -1.573000      1.071000      ?             ?      
1 1 1 19 38 51 o 0.3991000      1.098000      ?             ?      
1 1 1 19 38 52 o 0.8253000      1.125000      ?             ?      
1 1 1 19 38 53 o -0.3245000     1.145000      ?             ?      
1 1 1 19 38 54 o -0.3521000E-01 1.224000      ?             ?      
1 1 1 19 38 55 o -0.9245000     1.268000      ?             ?      
1 1 1 19 38 56 f -0.6204000     1.425000      ?             ?      
1 1 1 19 38 57 o -1.617000      1.365000      ?             ?      
1 1 1 19 38 58 o -3.114000      1.782000      ?             ?      
1 1 1 19 39 0  o 2.164000       1.498000      53.78602      -90.0  
1 1 1 19 39 1  o 2.853000       0.9794000     210.2807      49.7   
1 1 1 19 39 2  o 0.3346000      1.109000      95.78713      146.7  
1 1 1 19 39 3  o 1.430000       1.081000      151.3830      -4.4   
1 1 1 19 39 4  o 3.213000       1.084000      224.1182      57.2   
1 1 1 19 39 5  o 3.275000       0.9460000     155.1226      -36.7  
1 1 1 19 39 6  o 1.720000       0.8756000     196.0753      119.3  
1 1 1 19 39 7  o 1.539000       0.8489000     213.5671      -139.0 
1 1 1 19 39 8  o 1.943000       0.8822000     195.8711      163.1  
1 1 1 19 39 9  o -1.301000      1.008000      175.6622      110.8  
1 1 1 19 39 10 o 2.028000       1.039000      222.2948      -177.5 
1 1 1 19 39 11 o -0.3540000E-02 1.005000      130.4937      114.7  
1 1 1 19 39 12 o 3.603000       1.053000      198.8468      -126.3 
1 1 1 19 39 13 o 0.2507000      1.033000      65.60368      -11.7  
1 1 1 19 39 14 o 0.8482000      1.050000      68.39172      -143.4 
1 1 1 19 39 15 o 1.006000       1.095000      45.78095      12.4   
1 1 1 19 39 16 o 2.079000       1.292000      67.30487      40.0   
1 1 1 19 39 17 o -0.9610000E-01 1.282000      42.22768      -43.9  
1 1 1 19 39 18 o -2.233000      1.297000      127.5448      64.7   
1 1 1 19 39 19 o 5.348000       1.388000      149.7946      -38.1  
1 1 1 19 39 20 o -0.9694000     1.368000      30.66084      -96.8  
1 1 1 19 39 21 o 4.519000       1.871000      209.9884      -166.5 
1 1 1 19 39 22 o 1.109000       1.872000      45.93691      157.9  
1 1 1 19 39 23 o -1.273000      1.304000      73.86021      -51.0  
1 1 1 19 39 24 o 0.2802000      1.312000      62.21875      -82.9  
1 1 1 19 39 25 o -0.5995000     1.581000      61.87229      -173.8 
1 1 1 19 39 26 o 0.6745000      1.547000      163.9851      132.8  
1 1 1 19 39 27 o -0.1611000     1.286000      32.16399      -158.0 
1 1 1 19 39 28 o 1.897000       1.395000      179.1451      164.4  
1 1 1 19 39 29 o -0.5676000     1.449000      127.3972      97.4   
1 1 1 19 39 30 o 2.114000       1.244000      209.2317      51.2   
1 1 1 19 39 31 o 0.8063000      1.300000      128.0772      -26.9  
1 1 1 19 39 32 o 0.1992000      1.344000      182.6706      -164.3 
1 1 1 19 39 33 o 1.568000       1.670000      53.02366      160.5  
1 1 1 19 39 34 o 0.1394000      1.675000      129.5284      -142.8 
1 1 1 19 39 35 o 0.2829000      1.766000      ?             ?      
1 1 1 19 39 36 o -2.446000      1.521000      ?             ?      
1 1 1 19 39 37 o 1.809000       1.040000      ?             ?      
1 1 1 19 39 38 o -1.403000      1.069000      ?             ?      
1 1 1 19 39 39 o -0.7907000     1.010000      ?             ?      
1 1 1 19 39 40 o 0.6394000      1.018000      ?             ?      
1 1 1 19 39 41 o 0.6763000      1.103000      ?             ?      
1 1 1 19 39 42 o 2.094000       1.022000      ?             ?      
1 1 1 19 39 43 o -1.008000      1.007000      ?             ?      
1 1 1 19 39 44 o 0.9790000      0.9888000     ?             ?      
1 1 1 19 39 45 o 2.889000       1.112000      ?             ?      
1 1 1 19 39 46 o -0.3905000     1.096000      ?             ?      
1 1 1 19 39 47 o -0.2814000E-01 1.263000      ?             ?      
1 1 1 19 39 48 o 0.1755000      1.160000      ?             ?      
1 1 1 19 39 49 o -0.3343000     1.054000      ?             ?      
1 1 1 19 39 50 o 0.6410000E-01  1.012000      ?             ?      
1 1 1 19 39 51 o 2.083000       1.053000      ?             ?      
1 1 1 19 39 52 o 0.9711000E-01  1.112000      ?             ?      
1 1 1 19 39 53 o 2.516000       1.123000      ?             ?      
1 1 1 19 39 54 o 1.004000       1.134000      ?             ?      
1 1 1 19 39 55 o 1.377000       1.277000      ?             ?      
1 1 1 19 39 56 o -0.3220000     1.391000      ?             ?      
1 1 1 19 39 57 o 0.3740000      1.318000      ?             ?      
1 1 1 19 40 0  o 1.755000       1.291000      127.5424      -90.0  
1 1 1 19 40 1  o 0.2189000      0.9713000     45.28551      -33.2  
1 1 1 19 40 2  o -0.8795000     1.027000      56.61703      125.4  
1 1 1 19 40 3  o -1.283000      1.149000      107.7114      -141.8 
1 1 1 19 40 4  o -0.5629000     1.117000      128.8517      -118.5 
1 1 1 19 40 5  o 2.520000       1.226000      166.9989      -178.1 
1 1 1 19 40 6  o 0.2690000      0.8705000     105.3815      -77.9  
1 1 1 19 40 7  o 0.7529000      0.8524000     57.90889      5.6    
1 1 1 19 40 8  o 0.6581000      0.8733000     50.49819      45.3   
1 1 1 19 40 9  o 2.403000       1.016000      127.7263      63.1   
1 1 1 19 40 10 o 1.284000       1.031000      9.710355      176.2  
1 1 1 19 40 11 f 0.9146000      1.035000      69.39363      -104.5 
1 1 1 19 40 12 o 1.354000       1.073000      148.4294      171.4  
1 1 1 19 40 13 o -0.1833000     1.050000      32.16154      72.7   
1 1 1 19 40 14 o 2.039000       1.090000      117.5258      -145.5 
1 1 1 19 40 15 o -0.1307000     1.103000      71.16199      134.8  
1 1 1 19 40 16 o 0.6754000      1.306000      55.85535      101.2  
1 1 1 19 40 17 o -1.237000      1.307000      77.84042      4.8    
1 1 1 19 40 18 o 2.570000       1.348000      94.63113      -0.9   
1 1 1 19 40 19 o 5.809000       1.442000      196.0221      -138.3 
1 1 1 19 40 20 o 1.032000       1.484000      73.22755      -5.4   
1 1 1 19 40 21 o -2.807000      1.925000      35.43379      135.8  
1 1 1 19 40 22 o 5.264000       1.995000      88.31013      36.4   
1 1 1 19 40 23 o 1.475000       1.544000      100.4731      -140.3 
1 1 1 19 40 24 o 1.688000       1.359000      191.9834      151.6  
1 1 1 19 40 25 o 1.247000       1.650000      159.7198      96.0   
1 1 1 19 40 26 o 0.7031000      1.415000      95.21754      -72.7  
1 1 1 19 40 27 o 0.4930000      1.301000      156.5741      137.7  
1 1 1 19 40 28 o -1.831000      1.290000      141.2197      25.0   
1 1 1 19 40 29 o 0.4514000      1.362000      58.26788      -54.3  
1 1 1 19 40 30 o 0.5550000E-02  1.283000      84.32777      -11.1  
1 1 1 19 40 31 o 2.268000       1.652000      109.1185      -54.6  
1 1 1 19 40 32 o 2.641000       1.656000      153.5389      -73.3  
1 1 1 19 40 33 o 0.6371000      1.267000      ?             ?      
1 1 1 19 40 34 o -0.1455000     1.656000      ?             ?      
1 1 1 19 40 35 o -0.6209000     1.661000      ?             ?      
1 1 1 19 40 36 o 0.4090000      1.743000      ?             ?      
1 1 1 19 40 37 o -1.877000      1.721000      ?             ?      
1 1 1 19 40 38 o 1.042000       1.043000      ?             ?      
1 1 1 19 40 39 o 2.359000       1.082000      ?             ?      
1 1 1 19 40 40 o -0.7649000E-01 1.077000      ?             ?      
1 1 1 19 40 41 o -0.7816000E-01 1.082000      ?             ?      
1 1 1 19 40 42 o 1.223000       0.9953000     ?             ?      
1 1 1 19 40 43 o -0.6959000     0.9729000     ?             ?      
1 1 1 19 40 44 o 0.7914000      0.9853000     ?             ?      
1 1 1 19 40 45 o 1.050000       0.9876000     ?             ?      
1 1 1 19 40 46 o -0.8642000     1.095000      ?             ?      
1 1 1 19 40 47 o -0.1579000     1.102000      ?             ?      
1 1 1 19 40 48 o -0.1529000     1.221000      ?             ?      
1 1 1 19 40 49 o -1.159000      1.191000      ?             ?      
1 1 1 19 40 50 o -0.7306000     1.061000      ?             ?      
1 1 1 19 40 51 o 0.8986000      1.030000      ?             ?      
1 1 1 19 40 52 o 0.4341000      1.051000      ?             ?      
1 1 1 19 40 53 o -1.668000      1.453000      ?             ?      
1 1 1 19 40 54 o 2.698000       1.181000      ?             ?      
1 1 1 19 40 55 o -0.6012000     1.401000      ?             ?      
1 1 1 19 40 56 o 0.6561000      1.305000      ?             ?      
1 1 1 19 41 0  o 0.2225000      1.301000      46.08186      90.0   
1 1 1 19 41 1  o -0.9959000     0.9838000     47.00615      87.5   
1 1 1 19 41 2  o 0.5096000      0.9600000     71.05531      153.4  
1 1 1 19 41 3  o 2.506000       1.182000      166.6798      -49.0  
1 1 1 19 41 4  o 2.790000       1.238000      118.5033      27.1   
1 1 1 19 41 5  o -0.8209000E-01 1.020000      83.44180      -128.1 
1 1 1 19 41 6  o 1.726000       0.9230000     135.0777      -101.6 
1 1 1 19 41 7  o -0.7491000     0.8585000     52.56546      -68.8  
1 1 1 19 41 8  o 0.2533000      0.8807000     65.73078      136.9  
1 1 1 19 41 9  o 1.245000       1.027000      118.3787      131.5  
1 1 1 19 41 10 o -0.8776000     1.070000      47.78364      112.0  
1 1 1 19 41 11 o 1.377000       1.060000      35.64165      105.6  
1 1 1 19 41 12 o 0.6089000      1.096000      151.2517      -85.4  
1 1 1 19 41 13 o -1.128000      1.082000      25.55786      23.2   
1 1 1 19 41 14 o 1.332000       1.115000      130.2348      81.4   
1 1 1 19 41 15 o 0.3523000      1.135000      100.8223      -72.1  
1 1 1 19 41 16 o 1.385000       1.326000      68.40495      152.5  
1 1 1 19 41 17 o 0.3932000      1.348000      14.37283      126.9  
1 1 1 19 41 18 o 1.818000       1.387000      115.1548      27.8   
1 1 1 19 41 19 o 2.773000       1.473000      18.18721      -137.4 
1 1 1 19 41 20 o 0.1558000      1.991000      59.81466      -55.2  
1 1 1 19 41 21 o 0.2600000      2.027000      111.6871      157.3  
1 1 1 19 41 22 o 2.239000       1.602000      150.5515      -103.8 
1 1 1 19 41 23 o -1.207000      1.671000      65.18371      9.5    
1 1 1 19 41 24 o -2.823000      2.258000      87.89384      -2.3   
1 1 1 19 41 25 o 0.7668000      1.554000      95.18253      -108.0 
1 1 1 19 41 26 o 2.537000       1.376000      70.29494      162.5  
1 1 1 19 41 27 o 0.7439000E-01  1.405000      52.59871      162.7  
1 1 1 19 41 28 o -1.084000      1.649000      120.9305      162.0  
1 1 1 19 41 29 o 1.159000       1.654000      144.2881      103.8  
1 1 1 19 41 30 o 1.202000       1.312000      77.71566      8.0    
1 1 1 19 41 31 o 1.825000       1.265000      ?             ?      
1 1 1 19 41 32 o 0.1909000      1.228000      ?             ?      
1 1 1 19 41 33 o -1.501000      1.221000      ?             ?      
1 1 1 19 41 34 o 0.4135000      1.648000      ?             ?      
1 1 1 19 41 35 o -0.5128000     1.630000      ?             ?      
1 1 1 19 41 36 o -2.785000      1.661000      ?             ?      
1 1 1 19 41 37 o -0.1218000E-03 1.706000      ?             ?      
1 1 1 19 41 38 o 0.7757000      1.431000      ?             ?      
1 1 1 19 41 39 o -0.7569000     1.109000      ?             ?      
1 1 1 19 41 40 o -2.122000      1.175000      ?             ?      
1 1 1 19 41 41 o 0.3402000      0.9697000     ?             ?      
1 1 1 19 41 42 o 0.2591000      0.9798000     ?             ?      
1 1 1 19 41 43 o -0.6464000     0.9493000     ?             ?      
1 1 1 19 41 44 o -0.1599000     0.9579000     ?             ?      
1 1 1 19 41 45 o 0.1147000      0.9624000     ?             ?      
1 1 1 19 41 46 o 0.6132000      0.9649000     ?             ?      
1 1 1 19 41 47 o -1.392000      1.068000      ?             ?      
1 1 1 19 41 48 o -0.2008000E-02 1.096000      ?             ?      
1 1 1 19 41 49 o 1.456000       1.253000      ?             ?      
1 1 1 19 41 50 o -0.4239000     1.208000      ?             ?      
1 1 1 19 41 51 o 1.258000       1.081000      ?             ?      
1 1 1 19 41 52 o 0.3597000      1.050000      ?             ?      
1 1 1 19 41 53 o -0.2232000     1.082000      ?             ?      
1 1 1 19 41 54 o -0.4975000E-01 1.152000      ?             ?      
1 1 1 19 41 55 o -0.2969000     1.367000      ?             ?      
1 1 1 19 42 0  o -0.4702000     1.298000      86.42593      -90.0  
1 1 1 19 42 1  o -0.3964000     0.9172000     63.93096      -56.3  
1 1 1 19 42 2  o -0.2088000E-01 1.567000      58.25003      108.7  
1 1 1 19 42 3  o 0.5244000      1.104000      128.2457      -130.4 
1 1 1 19 42 4  o 1.203000       1.223000      22.12945      -73.0  
1 1 1 19 42 5  o 2.320000       1.032000      117.5221      90.6   
1 1 1 19 42 6  o -0.9562000     0.9852000     22.09458      -165.3 
1 1 1 19 42 7  o 0.6937000E-01  0.8638000     45.55050      -8.1   
1 1 1 19 42 8  o 2.335000       0.8839000     116.6429      -136.9 
1 1 1 19 42 9  o 0.2305000      1.048000      49.30673      51.4   
1 1 1 19 42 10 o -1.664000      1.082000      88.04871      133.2  
1 1 1 19 42 11 o -0.5279000     1.087000      33.51808      -119.9 
1 1 1 19 42 12 o 0.8058000      1.132000      91.37671      -111.5 
1 1 1 19 42 13 o 0.2321000      1.130000      19.51090      20.0   
1 1 1 19 42 14 o 0.1602000      1.156000      36.62561      -98.0  
1 1 1 19 42 15 o 1.482000       1.190000      62.81791      36.9   
1 1 1 19 42 16 o 3.117000       1.422000      162.0340      -9.3   
1 1 1 19 42 17 o -0.1870000E-01 1.406000      50.38647      118.6  
1 1 1 19 42 18 o 2.033000       1.498000      22.36198      -46.7  
1 1 1 19 42 19 o -1.684000      1.574000      8.905655      -107.2 
1 1 1 19 42 20 o -1.031000      2.109000      47.99943      -71.3  
1 1 1 19 42 21 o 0.1131000      2.182000      8.443753      -170.2 
1 1 1 19 42 22 o -0.3578000     1.598000      7.337691      57.2   
1 1 1 19 42 23 o 1.741000       1.669000      30.90983      -128.2 
1 1 1 19 42 24 o 1.627000       2.301000      68.87518      119.6  
1 1 1 19 42 25 o -1.898000      1.661000      47.69558      18.5   
1 1 1 19 42 26 o -0.2403000     1.638000      18.90506      -5.8   
1 1 1 19 42 27 o 1.388000       1.346000      24.75598      -112.8 
1 1 1 19 42 28 o 1.978000       1.318000      68.24001      -70.4  
1 1 1 19 42 29 o 0.1401000      1.314000      17.71483      165.5  
1 1 1 19 42 30 o 0.8791000      1.296000      ?             ?      
1 1 1 19 42 31 o -0.5193000     1.286000      ?             ?      
1 1 1 19 42 32 o -0.9519000     1.259000      ?             ?      
1 1 1 19 42 33 o 2.364000       1.219000      ?             ?      
1 1 1 19 42 34 o -0.7995000     1.190000      ?             ?      
1 1 1 19 42 35 o -1.694000      1.574000      ?             ?      
1 1 1 19 42 36 o -0.6948000     1.546000      ?             ?      
1 1 1 19 42 37 o -0.7875000     1.656000      ?             ?      
1 1 1 19 42 38 o -0.1313000     2.281000      ?             ?      
1 1 1 19 42 39 o -1.904000      1.385000      ?             ?      
1 1 1 19 42 40 o 3.541000       1.431000      ?             ?      
1 1 1 19 42 41 o 0.6929000      0.9418000     ?             ?      
1 1 1 19 42 42 o -0.8674000     0.9412000     ?             ?      
1 1 1 19 42 43 o -0.3381000     0.9410000     ?             ?      
1 1 1 19 42 44 o 0.6629000      0.9503000     ?             ?      
1 1 1 19 42 45 o -1.174000      0.9582000     ?             ?      
1 1 1 19 42 46 o -0.3827000     0.9579000     ?             ?      
1 1 1 19 42 47 o 0.2835000      0.9820000     ?             ?      
1 1 1 19 42 48 f 0.3020000      1.086000      ?             ?      
1 1 1 19 42 49 o 1.415000       1.109000      ?             ?      
1 1 1 19 42 50 o -1.375000      1.250000      ?             ?      
1 1 1 19 42 51 o -0.2085000     1.223000      ?             ?      
1 1 1 19 42 52 o -0.7752000     1.113000      ?             ?      
1 1 1 19 42 53 o -0.5865000     1.072000      ?             ?      
1 1 1 19 42 54 o 1.278000       1.332000      ?             ?      
1 1 1 19 43 0  o -0.9045000     1.311000      29.35158      90.0   
1 1 1 19 43 1  o -0.6497000     0.9313000     22.63569      -28.4  
1 1 1 19 43 2  o -0.1395000     1.048000      14.18261      -126.2 
1 1 1 19 43 3  o 1.056000       1.073000      68.24067      -80.2  
1 1 1 19 43 4  o 2.185000       1.130000      47.91264      16.6   
1 1 1 19 43 5  o 2.030000       1.132000      80.33763      -21.5  
1 1 1 19 43 6  o -0.3410000     1.001000      42.46735      -95.0  
1 1 1 19 43 7  o -0.4566000     0.8807000     8.915761      -122.5 
1 1 1 19 43 8  o -1.102000      0.8825000     33.28835      -44.1  
1 1 1 19 43 9  o 1.155000       1.153000      39.45393      -178.5 
1 1 1 19 43 10 o 0.3754000      1.136000      41.30709      89.4   
1 1 1 19 43 11 o 2.074000       1.160000      62.29812      53.1   
1 1 1 19 43 12 o 2.996000       1.230000      63.50167      -109.6 
1 1 1 19 43 13 o -0.1110000     1.067000      56.65149      62.9   
1 1 1 19 43 14 o 0.5899000      1.414000      71.19649      79.7   
1 1 1 19 43 15 o 0.9420000      1.206000      91.60736      136.6  
1 1 1 19 43 16 o 0.8209000      1.432000      62.22847      116.7  
1 1 1 19 43 17 f -1.420000      1.494000      93.86819      87.8   
1 1 1 19 43 18 o -0.1904000     1.597000      3.225297      -82.5  
1 1 1 19 43 19 o 1.390000       2.041000      58.96566      -99.3  
1 1 1 19 43 20 o 3.143000       2.100000      59.05631      64.2   
1 1 1 19 43 21 o 0.1498000      1.657000      81.51280      -83.9  
1 1 1 19 43 22 o -0.5172000     1.638000      84.61278      -17.4  
1 1 1 19 43 23 o 0.3682000      2.250000      61.78769      31.9   
1 1 1 19 43 24 o 1.032000       2.237000      83.93068      43.2   
1 1 1 19 43 25 o 1.626000       1.646000      104.0819      -136.5 
1 1 1 19 43 26 o 2.901000       1.600000      50.12738      -86.9  
1 1 1 19 43 27 o -0.2849000     1.309000      64.47674      44.6   
1 1 1 19 43 28 f 2.548000       1.320000      ?             ?      
1 1 1 19 43 29 o -1.269000      1.303000      ?             ?      
1 1 1 19 43 30 o 1.806000       1.321000      ?             ?      
1 1 1 19 43 31 o -1.339000      1.270000      ?             ?      
1 1 1 19 43 32 o 1.500000       1.246000      ?             ?      
1 1 1 19 43 33 o -0.9467000     1.215000      ?             ?      
1 1 1 19 43 34 o -1.728000      1.180000      ?             ?      
1 1 1 19 43 35 o 1.131000       1.162000      ?             ?      
1 1 1 19 43 36 o 1.776000       1.571000      ?             ?      
1 1 1 19 43 37 o -1.216000      2.175000      ?             ?      
1 1 1 19 43 38 o 4.274000       2.343000      ?             ?      
1 1 1 19 43 39 o 1.015000       1.766000      ?             ?      
1 1 1 19 43 40 o -0.2993000     1.379000      ?             ?      
1 1 1 19 43 41 o -1.202000      1.355000      ?             ?      
1 1 1 19 43 42 o 0.7538000      0.9191000     ?             ?      
1 1 1 19 43 43 o -0.9986000     0.9258000     ?             ?      
1 1 1 19 43 44 o 0.7683000      0.9414000     ?             ?      
1 1 1 19 43 45 o -0.3165000     0.9423000     ?             ?      
1 1 1 19 43 46 o -0.1747000     0.9574000     ?             ?      
1 1 1 19 43 47 o 0.8429000      0.9838000     ?             ?      
1 1 1 19 43 48 o -0.6841000     0.9962000     ?             ?      
1 1 1 19 43 49 o -0.9326000     1.086000      ?             ?      
1 1 1 19 43 50 o -1.758000      1.098000      ?             ?      
1 1 1 19 43 51 o 1.124000       1.271000      ?             ?      
1 1 1 19 43 52 o 0.5171000      1.311000      ?             ?      
1 1 1 19 43 53 o 0.5048000      2.030000      ?             ?      
1 1 1 19 44 0  o 2.303000       1.359000      57.83757      -90.0  
1 1 1 19 44 1  o 1.749000       0.9518000     67.88145      -145.9 
1 1 1 19 44 2  o -0.7273000     1.014000      30.32642      -111.4 
1 1 1 19 44 3  o 1.769000       1.100000      82.52649      103.7  
1 1 1 19 44 4  o 0.7851000      1.113000      54.55731      -97.0  
1 1 1 19 44 5  o -1.276000      1.116000      58.52134      14.0   
1 1 1 19 44 6  o -0.2338000     1.023000      112.9625      62.5   
1 1 1 19 44 7  o -0.5014000     1.002000      68.48788      -103.7 
1 1 1 19 44 8  o -2.176000      0.8952000     65.31606      -95.9  
1 1 1 19 44 9  o 0.1823000      1.191000      92.66306      80.6   
1 1 1 19 44 10 o 1.207000       1.450000      123.4020      -45.8  
1 1 1 19 44 11 o 1.082000       1.423000      98.10076      -75.9  
1 1 1 19 44 12 o 2.304000       1.287000      108.6598      161.4  
1 1 1 19 44 13 o 3.937000       1.260000      173.3952      -96.6  
1 1 1 19 44 14 o 0.3448000      1.257000      75.11230      -15.3  
1 1 1 19 44 15 o 3.603000       1.314000      93.79471      -89.4  
1 1 1 19 44 16 o 5.162000       1.580000      129.3888      137.2  
1 1 1 19 44 17 o 0.4620000      1.524000      44.47803      135.0  
1 1 1 19 44 18 o -2.362000      2.034000      62.81236      -53.3  
1 1 1 19 44 19 o 0.8306000      2.096000      57.11311      112.7  
1 1 1 19 44 20 o 0.6663000      1.640000      104.9122      5.1    
1 1 1 19 44 21 o 1.265000       1.595000      35.53408      59.3   
1 1 1 19 44 22 o -0.5593000     1.612000      28.26254      142.2  
1 1 1 19 44 23 o 3.476000       2.261000      128.5181      31.0   
1 1 1 19 44 24 o 1.058000       1.631000      84.34661      -13.1  
1 1 1 19 44 25 o -0.5210000     1.600000      ?             ?      
1 1 1 19 44 26 o -0.1887000     1.595000      ?             ?      
1 1 1 19 44 27 o 0.9655000E-01  1.594000      ?             ?      
1 1 1 19 44 28 o -0.2913000     1.609000      ?             ?      
1 1 1 19 44 29 o -0.4164000     1.296000      ?             ?      
1 1 1 19 44 30 o 1.050000       1.267000      ?             ?      
1 1 1 19 44 31 o -0.5710000     1.247000      ?             ?      
1 1 1 19 44 32 o 1.830000       1.213000      ?             ?      
1 1 1 19 44 33 o 1.480000       1.210000      ?             ?      
1 1 1 19 44 34 o 1.180000       1.214000      ?             ?      
1 1 1 19 44 35 o 0.5527000      1.204000      ?             ?      
1 1 1 19 44 36 o 0.2653000      1.342000      ?             ?      
1 1 1 19 44 37 o -0.1593000     2.186000      ?             ?      
1 1 1 19 44 38 o 1.573000       1.638000      ?             ?      
1 1 1 19 44 39 o -0.2377000E-01 2.308000      ?             ?      
1 1 1 19 44 40 o -0.7246000     2.304000      ?             ?      
1 1 1 19 44 41 o 1.035000       1.252000      ?             ?      
1 1 1 19 44 42 o 2.326000       1.267000      ?             ?      
1 1 1 19 44 43 o 1.753000       1.236000      ?             ?      
1 1 1 19 44 44 o -0.8329000     0.9225000     ?             ?      
1 1 1 19 44 45 o 0.2535000      0.9512000     ?             ?      
1 1 1 19 44 46 o -0.5767000     0.9474000     ?             ?      
1 1 1 19 44 47 o 0.1902000      1.280000      ?             ?      
1 1 1 19 44 48 o 0.2250000      0.9815000     ?             ?      
1 1 1 19 44 49 o -0.7530000     1.001000      ?             ?      
1 1 1 19 44 50 o 0.8088000      1.125000      ?             ?      
1 1 1 19 44 51 o -0.9711000     1.115000      ?             ?      
1 1 1 19 44 52 o 0.8662000      2.104000      ?             ?      
1 1 1 19 45 0  o -0.8493000E-01 1.306000      145.4501      -90.0  
1 1 1 19 45 1  o -0.4265000     1.030000      41.47391      31.1   
1 1 1 19 45 2  o 0.8431000      1.030000      100.7116      -84.7  
1 1 1 19 45 3  o 1.111000       1.128000      88.44897      26.4   
1 1 1 19 45 4  o 1.023000       1.104000      130.1253      141.3  
1 1 1 19 45 5  o 2.334000       1.135000      66.70419      -27.8  
1 1 1 19 45 6  o 2.913000       1.151000      102.9293      -101.2 
1 1 1 19 45 7  o 1.169000       1.038000      30.69131      83.2   
1 1 1 19 45 8  o 1.056000       0.9816000     91.59865      33.7   
1 1 1 19 45 9  o 1.877000       1.515000      162.3203      50.4   
1 1 1 19 45 10 o -1.292000      1.209000      100.4770      -28.2  
1 1 1 19 45 11 o 1.843000       1.195000      159.6745      -72.8  
1 1 1 19 45 12 o 0.7237000      1.317000      71.43102      -27.0  
1 1 1 19 45 13 o -0.9162000     1.260000      55.33702      -40.9  
1 1 1 19 45 14 o -0.6686000     1.232000      58.18863      -19.4  
1 1 1 19 45 15 o 1.027000       1.282000      79.08714      2.1    
1 1 1 19 45 16 o 1.900000       1.601000      25.10023      30.4   
1 1 1 19 45 17 o -0.6433000     1.598000      121.8362      -163.8 
1 1 1 19 45 18 o -2.038000      2.009000      110.7771      0.8    
1 1 1 19 45 19 o 0.2560000      2.028000      43.78726      143.6  
1 1 1 19 45 20 o 1.107000       1.566000      69.55578      -168.1 
1 1 1 19 45 21 o 1.950000       1.555000      49.18544      29.8   
1 1 1 19 45 22 o 0.8344000      2.247000      163.6918      120.1  
1 1 1 19 45 23 o -2.292000      2.220000      ?             ?      
1 1 1 19 45 24 f -1.019000      1.595000      ?             ?      
1 1 1 19 45 25 o -2.193000      1.602000      ?             ?      
1 1 1 19 45 26 o 0.7081000      1.584000      ?             ?      
1 1 1 19 45 27 o -1.015000      1.566000      ?             ?      
1 1 1 19 45 28 o 2.221000       1.605000      ?             ?      
1 1 1 19 45 29 o 0.5933000      1.573000      ?             ?      
1 1 1 19 45 30 o 3.042000       1.277000      ?             ?      
1 1 1 19 45 31 o -0.3954000     1.235000      ?             ?      
1 1 1 19 45 32 o -0.1140000E-01 1.221000      ?             ?      
1 1 1 19 45 33 o -0.9192000     1.215000      ?             ?      
1 1 1 19 45 34 o -1.143000      1.193000      ?             ?      
1 1 1 19 45 35 o 0.3683000      1.203000      ?             ?      
1 1 1 19 45 36 o -0.6096000     1.375000      ?             ?      
1 1 1 19 45 37 o -3.641000      2.199000      ?             ?      
1 1 1 19 45 38 o 0.7288000      1.628000      ?             ?      
1 1 1 19 45 39 o -1.118000      2.231000      ?             ?      
1 1 1 19 45 40 o -1.469000      1.703000      ?             ?      
1 1 1 19 45 41 o 0.4660000      1.725000      ?             ?      
1 1 1 19 45 42 o 0.4455000      1.285000      ?             ?      
1 1 1 19 45 43 o -1.772000      1.170000      ?             ?      
1 1 1 19 45 44 o 1.077000       1.213000      ?             ?      
1 1 1 19 45 45 o 0.9374000      0.9319000     ?             ?      
1 1 1 19 45 46 o -0.5480000     0.9435000     ?             ?      
1 1 1 19 45 47 o -0.4828000     0.9708000     ?             ?      
1 1 1 19 45 48 o 1.874000       1.068000      ?             ?      
1 1 1 19 45 49 o -0.2594000     1.297000      ?             ?      
1 1 1 19 45 50 o 0.9278000      1.110000      ?             ?      
1 1 1 19 45 51 o 2.100000       1.382000      ?             ?      
1 1 1 19 46 0  o 8.590000       1.405000      393.5084      -90.0  
1 1 1 19 46 1  o 4.143000       1.070000      182.0189      -43.1  
1 1 1 19 46 2  o 3.759000       1.076000      166.6216      -172.6 
1 1 1 19 46 3  o 1.006000       0.9607000     185.3824      -7.7   
1 1 1 19 46 4  o 0.6053000E-01  1.116000      55.59159      14.6   
1 1 1 19 46 5  o 1.174000       1.536000      119.5076      2.2    
1 1 1 19 46 6  o 0.5006000      1.543000      252.8919      68.5   
1 1 1 19 46 7  o 1.638000       1.136000      89.20044      -123.3 
1 1 1 19 46 8  o -0.5209000E-01 1.098000      235.9441      80.7   
1 1 1 19 46 9  o -1.674000      1.287000      71.35092      4.7    
1 1 1 19 46 10 o 2.560000       1.411000      54.44924      112.5  
1 1 1 19 46 11 o 0.7871000      1.195000      111.9038      127.2  
1 1 1 19 46 12 o 1.948000       1.237000      99.19382      134.9  
1 1 1 19 46 13 o 0.4622000      1.255000      63.78691      -147.7 
1 1 1 19 46 14 o -0.5398000     1.273000      101.3695      -22.2  
1 1 1 19 46 15 o 3.338000       1.289000      212.4077      -99.3  
1 1 1 19 46 16 o -0.5543000     1.540000      57.64112      130.8  
1 1 1 19 46 17 o -3.780000      1.989000      48.99931      -121.0 
1 1 1 19 46 18 o 4.136000       2.053000      136.4656      -135.0 
1 1 1 19 46 19 o 0.3899000      1.560000      136.0729      55.0   
1 1 1 19 46 20 o -0.7834000E-01 1.542000      ?             ?      
1 1 1 19 46 21 o 0.7035000      1.572000      ?             ?      
1 1 1 19 46 22 o 2.865000       2.242000      ?             ?      
1 1 1 19 46 23 o 0.6533000      2.231000      ?             ?      
1 1 1 19 46 24 o -2.948000      1.573000      ?             ?      
1 1 1 19 46 25 o 2.549000       1.594000      ?             ?      
1 1 1 19 46 26 o 1.739000       1.581000      ?             ?      
1 1 1 19 46 27 o 0.9175000      1.571000      ?             ?      
1 1 1 19 46 28 o 1.508000       1.543000      ?             ?      
1 1 1 19 46 29 o 1.713000       1.553000      ?             ?      
1 1 1 19 46 30 o 1.127000       1.521000      ?             ?      
1 1 1 19 46 31 o -0.8630000     1.225000      ?             ?      
1 1 1 19 46 32 o 0.5532000      1.243000      ?             ?      
1 1 1 19 46 33 o -1.160000      1.225000      ?             ?      
1 1 1 19 46 34 o 1.949000       1.227000      ?             ?      
1 1 1 19 46 35 o -1.452000      0.9306000     ?             ?      
1 1 1 19 46 36 o 0.2761000      1.386000      ?             ?      
1 1 1 19 46 37 o -0.8041000     1.223000      ?             ?      
1 1 1 19 46 38 o 0.2898000      2.215000      ?             ?      
1 1 1 19 46 39 o 3.058000       2.215000      ?             ?      
1 1 1 19 46 40 o -1.873000      1.668000      ?             ?      
1 1 1 19 46 41 o 1.575000       1.692000      ?             ?      
1 1 1 19 46 42 o 2.170000       1.298000      ?             ?      
1 1 1 19 46 43 o -1.330000      1.282000      ?             ?      
1 1 1 19 46 44 o 0.1208000      1.184000      ?             ?      
1 1 1 19 46 45 o -0.4939000     1.158000      ?             ?      
1 1 1 19 46 46 o 2.302000       1.242000      ?             ?      
1 1 1 19 46 47 o -0.1091000     1.026000      ?             ?      
1 1 1 19 46 48 o 1.067000       1.055000      ?             ?      
1 1 1 19 46 49 o 1.411000       1.089000      ?             ?      
1 1 1 19 46 50 o -0.2668000     1.798000      ?             ?      
1 1 1 19 47 0  o -1.499000      1.307000      50.72333      90.0   
1 1 1 19 47 1  o 1.936000       1.042000      135.9911      52.2   
1 1 1 19 47 2  o 2.242000       1.246000      77.70712      161.7  
1 1 1 19 47 3  o -1.050000      1.132000      83.98513      -13.7  
1 1 1 19 47 4  o -0.4893000     1.500000      72.31211      160.7  
1 1 1 19 47 5  o -0.8139000     1.045000      50.06185      -155.3 
1 1 1 19 47 6  o 0.7879000      1.271000      94.96568      141.1  
1 1 1 19 47 7  o -0.7288000     1.334000      47.58053      37.8   
1 1 1 19 47 8  o 6.346000       1.133000      339.3139      21.9   
1 1 1 19 47 9  o 4.122000       1.305000      152.7002      172.9  
1 1 1 19 47 10 o 4.132000       1.258000      175.3654      -82.2  
1 1 1 19 47 11 o 3.241000       1.227000      260.3855      -110.5 
1 1 1 19 47 12 o 1.161000       1.257000      178.2344      -24.8  
1 1 1 19 47 13 o 1.569000       1.198000      61.53756      45.4   
1 1 1 19 47 14 o 1.150000       1.219000      173.6588      0.6    
1 1 1 19 47 15 o 3.164000       1.254000      222.6064      -57.8  
1 1 1 19 47 16 o 1.038000       1.519000      54.86502      -101.2 
1 1 1 19 47 17 o 0.2954000      1.975000      ?             ?      
1 1 1 19 47 18 o -2.898000      1.979000      ?             ?      
1 1 1 19 47 19 o -2.098000      1.530000      ?             ?      
1 1 1 19 47 20 o 0.7476000      1.565000      ?             ?      
1 1 1 19 47 21 o 3.747000       2.242000      ?             ?      
1 1 1 19 47 22 o -1.072000      2.175000      ?             ?      
1 1 1 19 47 23 o 2.501000       1.573000      ?             ?      
1 1 1 19 47 24 o 1.095000       1.549000      ?             ?      
1 1 1 19 47 25 o 2.948000       1.554000      ?             ?      
1 1 1 19 47 26 o 1.724000       1.540000      ?             ?      
1 1 1 19 47 27 o -2.300000      1.521000      ?             ?      
1 1 1 19 47 28 o 1.436000       1.508000      ?             ?      
1 1 1 19 47 29 o 2.875000       1.536000      ?             ?      
1 1 1 19 47 30 o -0.1938000     1.503000      ?             ?      
1 1 1 19 47 31 o 0.9935000      1.531000      ?             ?      
1 1 1 19 47 32 o 1.133000       1.549000      ?             ?      
1 1 1 19 47 33 o -0.7234000     1.256000      ?             ?      
1 1 1 19 47 34 o 0.4527000      1.241000      ?             ?      
1 1 1 19 47 35 o -1.266000      1.410000      ?             ?      
1 1 1 19 47 36 o -0.2260000     1.238000      ?             ?      
1 1 1 19 47 37 o 2.120000       1.234000      ?             ?      
1 1 1 19 47 38 o -2.464000      1.415000      ?             ?      
1 1 1 19 47 39 o 0.8269000      1.624000      ?             ?      
1 1 1 19 47 40 o 1.635000       1.655000      ?             ?      
1 1 1 19 47 41 o 0.8911000      1.664000      ?             ?      
1 1 1 19 47 42 o -0.9174000     1.690000      ?             ?      
1 1 1 19 47 43 o -1.491000      1.282000      ?             ?      
1 1 1 19 47 44 o 0.7319000      1.295000      ?             ?      
1 1 1 19 47 45 o 1.038000       1.221000      ?             ?      
1 1 1 19 47 46 o -0.9079000     1.192000      ?             ?      
1 1 1 19 47 47 o 1.420000       1.312000      ?             ?      
1 1 1 19 47 48 o 1.065000       1.064000      ?             ?      
1 1 1 19 48 0  o 2.436000       1.638000      211.5546      -90.0  
1 1 1 19 48 1  o 2.176000       1.169000      210.1925      29.2   
1 1 1 19 48 2  o 0.4211000      1.069000      202.5772      -75.3  
1 1 1 19 48 3  o 2.859000       1.014000      275.6433      -37.4  
1 1 1 19 48 4  o 4.616000       1.187000      257.8999      81.9   
1 1 1 19 48 5  o -0.8230000     1.048000      124.0298      -95.5  
1 1 1 19 48 6  o 1.826000       1.164000      159.8101      105.1  
1 1 1 19 48 7  o -0.9051000E-01 1.178000      76.68686      -170.2 
1 1 1 19 48 8  o 2.484000       1.066000      210.9591      78.5   
1 1 1 19 48 9  o 1.986000       1.328000      46.12201      64.8   
1 1 1 19 48 10 o 1.396000       1.188000      19.64130      8.4    
1 1 1 19 48 11 o -0.3460000     1.185000      143.2117      59.7   
1 1 1 19 48 12 o 0.3586000      1.203000      ?             ?      
1 1 1 19 48 13 o 0.3573000      1.174000      ?             ?      
1 1 1 19 48 14 o 1.116000       1.192000      ?             ?      
1 1 1 19 48 15 o 1.231000       1.202000      ?             ?      
1 1 1 19 48 16 o 4.437000       2.007000      ?             ?      
1 1 1 19 48 17 o 4.137000       1.983000      ?             ?      
1 1 1 19 48 18 o -1.777000      1.480000      ?             ?      
1 1 1 19 48 19 o -0.1191000     1.484000      ?             ?      
1 1 1 19 48 20 o 0.8338000      1.538000      ?             ?      
1 1 1 19 48 21 o 1.179000       2.169000      ?             ?      
1 1 1 19 48 22 o -0.3729000     2.126000      ?             ?      
1 1 1 19 48 23 o 0.6785000      1.521000      ?             ?      
1 1 1 19 48 24 o 2.483000       1.497000      ?             ?      
1 1 1 19 48 25 o -0.8641000     1.488000      ?             ?      
1 1 1 19 48 26 o 3.020000       1.543000      ?             ?      
1 1 1 19 48 27 o 2.533000       1.554000      ?             ?      
1 1 1 19 48 28 o -0.2751000     1.510000      ?             ?      
1 1 1 19 48 29 o -0.8315000     1.505000      ?             ?      
1 1 1 19 48 30 o 1.142000       1.524000      ?             ?      
1 1 1 19 48 31 o 2.869000       1.575000      ?             ?      
1 1 1 19 48 32 o 1.662000       1.573000      ?             ?      
1 1 1 19 48 33 o 0.9013000      1.545000      ?             ?      
1 1 1 19 48 34 o 1.827000       1.405000      ?             ?      
1 1 1 19 48 35 o -0.4311000     1.452000      ?             ?      
1 1 1 19 48 36 o 1.999000       1.258000      ?             ?      
1 1 1 19 48 37 o -0.8651000     1.423000      ?             ?      
1 1 1 19 48 38 o -0.1729000     1.397000      ?             ?      
1 1 1 19 48 39 o -1.229000      1.228000      ?             ?      
1 1 1 19 48 40 o 0.1671000      1.631000      ?             ?      
1 1 1 19 48 41 o -1.574000      1.635000      ?             ?      
1 1 1 19 48 42 o -2.980000      3.165000      ?             ?      
1 1 1 19 48 43 o 1.504000       1.725000      ?             ?      
1 1 1 19 48 44 o -0.3292000     1.351000      ?             ?      
1 1 1 19 48 45 o 0.1869000      1.353000      ?             ?      
1 1 1 19 48 46 o 1.092000       1.232000      ?             ?      
1 1 1 19 48 47 o 2.888000       1.733000      ?             ?      
1 1 1 19 49 0  o 9.467000       2.014000      480.4707      90.0   
1 1 1 19 49 1  o -0.5800000     1.073000      146.7405      -118.3 
1 1 1 19 49 2  o 1.723000       1.063000      ?             ?      
1 1 1 19 49 3  o 0.3558000E-02  1.112000      ?             ?      
1 1 1 19 49 4  o 3.963000       1.221000      ?             ?      
1 1 1 19 49 5  o 5.892000       1.502000      ?             ?      
1 1 1 19 49 6  o 1.770000       1.037000      ?             ?      
1 1 1 19 49 7  o 0.2575000E-01  1.144000      ?             ?      
1 1 1 19 49 8  o -0.6037000     1.229000      ?             ?      
1 1 1 19 49 9  o 0.5701000      1.286000      ?             ?      
1 1 1 19 49 10 o 1.341000       1.178000      ?             ?      
1 1 1 19 49 11 o 1.165000       1.148000      ?             ?      
1 1 1 19 49 12 o 0.9714000      1.168000      ?             ?      
1 1 1 19 49 13 o 1.685000       1.157000      ?             ?      
1 1 1 19 49 14 o -0.6359000     1.163000      ?             ?      
1 1 1 19 49 15 o -0.6430000     1.198000      ?             ?      
1 1 1 19 49 16 o -1.772000      1.879000      ?             ?      
1 1 1 19 49 17 o 1.698000       1.950000      ?             ?      
1 1 1 19 49 18 o 0.5229000      1.475000      ?             ?      
1 1 1 19 49 19 o 0.5771000      1.493000      ?             ?      
1 1 1 19 49 20 o 2.282000       2.147000      ?             ?      
1 1 1 19 49 21 o 2.506000       2.104000      ?             ?      
1 1 1 19 49 22 o 0.1353000      1.469000      ?             ?      
1 1 1 19 49 23 o 1.785000       1.495000      ?             ?      
1 1 1 19 49 24 o 2.875000       1.486000      ?             ?      
1 1 1 19 49 25 o 0.5646000      1.486000      ?             ?      
1 1 1 19 49 26 o -0.1385000     1.498000      ?             ?      
1 1 1 19 49 27 o -1.036000      1.505000      ?             ?      
1 1 1 19 49 28 o -1.796000      1.506000      ?             ?      
1 1 1 19 49 29 o 0.1892000E-02  1.510000      ?             ?      
1 1 1 19 49 30 o 2.126000       1.554000      ?             ?      
1 1 1 19 49 31 o -1.593000      1.556000      ?             ?      
1 1 1 19 49 32 o -0.3252000     1.572000      ?             ?      
1 1 1 19 49 33 o -2.051000      2.121000      ?             ?      
1 1 1 19 49 34 o -0.3188000E-01 2.128000      ?             ?      
1 1 1 19 49 35 o -1.352000      1.325000      ?             ?      
1 1 1 19 49 36 o 0.2470000      1.293000      ?             ?      
1 1 1 19 49 37 o 1.947000       1.499000      ?             ?      
1 1 1 19 49 38 o -0.3118000     1.259000      ?             ?      
1 1 1 19 49 39 o -0.9638000E-01 1.267000      ?             ?      
1 1 1 19 49 40 o -0.2405000     1.275000      ?             ?      
1 1 1 19 49 41 o 1.793000       1.655000      ?             ?      
1 1 1 19 49 42 o 4.250000       1.700000      ?             ?      
1 1 1 19 49 43 o -0.4679000     1.741000      ?             ?      
1 1 1 19 49 44 o -0.1659000E-01 1.748000      ?             ?      
1 1 1 19 49 45 o 1.464000       1.360000      ?             ?      
1 1 1 19 49 46 o 1.897000       2.571000      ?             ?      
1 1 1 19 50 0  o 3.435000       1.935000      ?             ?      
1 1 1 19 50 1  o -0.7168000     1.178000      ?             ?      
1 1 1 19 50 2  o 3.092000       0.9384000     ?             ?      
1 1 1 19 50 3  o 1.252000       0.9178000     ?             ?      
1 1 1 19 50 4  o 0.1909000      1.159000      ?             ?      
1 1 1 19 50 5  o 5.170000       1.469000      ?             ?      
1 1 1 19 50 6  o 2.102000       1.088000      ?             ?      
1 1 1 19 50 7  o 2.503000       1.265000      ?             ?      
1 1 1 19 50 8  o 4.418000       1.246000      ?             ?      
1 1 1 19 50 9  o 0.5325000      1.296000      ?             ?      
1 1 1 19 50 10 o 2.094000       1.179000      ?             ?      
1 1 1 19 50 11 o 0.7050000      1.144000      ?             ?      
1 1 1 19 50 12 o -0.2121000E-01 1.159000      ?             ?      
1 1 1 19 50 13 o 4.440000       1.164000      ?             ?      
1 1 1 19 50 14 o -0.9022000     1.152000      ?             ?      
1 1 1 19 50 15 o -1.090000      1.328000      ?             ?      
1 1 1 19 50 16 o -1.144000      1.912000      ?             ?      
1 1 1 19 50 17 o 0.7351000      1.457000      ?             ?      
1 1 1 19 50 18 o 1.162000       1.460000      ?             ?      
1 1 1 19 50 19 o -1.607000      1.470000      ?             ?      
1 1 1 19 50 20 o 1.504000       2.062000      ?             ?      
1 1 1 19 50 21 o 1.643000       2.070000      ?             ?      
1 1 1 19 50 22 o -0.9195000     1.468000      ?             ?      
1 1 1 19 50 23 o 0.6992000      1.470000      ?             ?      
1 1 1 19 50 24 o -1.967000      1.447000      ?             ?      
1 1 1 19 50 25 o -0.5108000     1.464000      ?             ?      
1 1 1 19 50 26 o -1.310000      1.504000      ?             ?      
1 1 1 19 50 27 o -0.6319000     1.551000      ?             ?      
1 1 1 19 50 28 o 3.849000       1.620000      ?             ?      
1 1 1 19 50 29 o 1.655000       1.593000      ?             ?      
1 1 1 19 50 30 o 0.9718000      1.595000      ?             ?      
1 1 1 19 50 31 o -0.3653000     1.583000      ?             ?      
1 1 1 19 50 32 o 1.395000       1.643000      ?             ?      
1 1 1 19 50 33 o 2.828000       2.234000      ?             ?      
1 1 1 19 50 34 o 2.104000       2.216000      ?             ?      
1 1 1 19 50 35 o -2.057000      1.712000      ?             ?      
1 1 1 19 50 36 o 0.5648000      2.256000      ?             ?      
1 1 1 19 50 37 o 0.3795000      1.483000      ?             ?      
1 1 1 19 50 38 o 1.303000       1.355000      ?             ?      
1 1 1 19 50 39 o 3.012000       1.338000      ?             ?      
1 1 1 19 50 40 o -0.8234000     1.289000      ?             ?      
1 1 1 19 50 41 o -0.7138000     1.298000      ?             ?      
1 1 1 19 50 42 o -0.6334000     1.660000      ?             ?      
1 1 1 19 50 43 o 0.9195000      1.709000      ?             ?      
1 1 1 19 50 44 o 0.5896000      1.787000      ?             ?      
1 1 1 19 51 0  o -1.213000      1.525000      ?             ?      
1 1 1 19 51 1  o 0.6717000      1.118000      ?             ?      
1 1 1 19 51 2  o -2.570000      1.116000      ?             ?      
1 1 1 19 51 3  o -0.8633000     0.8917000     ?             ?      
1 1 1 19 51 4  o 0.7173000      0.9604000     ?             ?      
1 1 1 19 51 5  o 1.534000       0.8666000     ?             ?      
1 1 1 19 51 6  o 1.391000       1.061000      ?             ?      
1 1 1 19 51 7  o 0.7252000      1.169000      ?             ?      
1 1 1 19 51 8  o 0.5214000E-01  1.190000      ?             ?      
1 1 1 19 51 9  o 3.064000       1.389000      ?             ?      
1 1 1 19 51 10 o -0.7586000     1.177000      ?             ?      
1 1 1 19 51 11 o 1.396000       1.145000      ?             ?      
1 1 1 19 51 12 o 1.550000       1.150000      ?             ?      
1 1 1 19 51 13 o 1.202000       1.129000      ?             ?      
1 1 1 19 51 14 o -1.322000      1.313000      ?             ?      
1 1 1 19 51 15 o 2.810000       1.358000      ?             ?      
1 1 1 19 51 16 o 0.8694000      1.448000      ?             ?      
1 1 1 19 51 17 o -1.577000      1.399000      ?             ?      
1 1 1 19 51 18 o 0.4636000      1.424000      ?             ?      
1 1 1 19 51 19 o 0.6732000      2.040000      ?             ?      
1 1 1 19 51 20 o 3.534000       2.152000      ?             ?      
1 1 1 19 51 21 o 7.134000       1.577000      ?             ?      
1 1 1 19 51 22 o 3.178000       1.540000      ?             ?      
1 1 1 19 51 23 o 1.033000       1.508000      ?             ?      
1 1 1 19 51 24 o 1.104000       1.311000      ?             ?      
1 1 1 19 51 25 o -1.875000      1.527000      ?             ?      
1 1 1 19 51 26 o -0.3768000     1.541000      ?             ?      
1 1 1 19 51 27 o -1.411000      1.502000      ?             ?      
1 1 1 19 51 28 o -1.433000      1.544000      ?             ?      
1 1 1 19 51 29 o -1.125000      1.522000      ?             ?      
1 1 1 19 51 30 o 4.822000       1.591000      ?             ?      
1 1 1 19 51 31 o 0.3136000      1.567000      ?             ?      
1 1 1 19 51 32 o -1.259000      2.058000      ?             ?      
1 1 1 19 51 33 o 2.051000       2.200000      ?             ?      
1 1 1 19 51 34 o 0.8188000      1.690000      ?             ?      
1 1 1 19 51 35 o 1.449000       1.624000      ?             ?      
1 1 1 19 51 36 o -1.948000      2.237000      ?             ?      
1 1 1 19 51 37 o 3.348000       1.711000      ?             ?      
1 1 1 19 51 38 o 0.8807000E-01  1.698000      ?             ?      
1 1 1 19 51 39 o -0.2590000     1.362000      ?             ?      
1 1 1 19 51 40 o -1.249000      1.373000      ?             ?      
1 1 1 19 51 41 o -0.2639000     2.377000      ?             ?      
1 1 1 19 51 42 o -0.3404000     1.354000      ?             ?      
1 1 1 19 51 43 o -1.395000      3.230000      ?             ?      
1 1 1 19 52 0  o 1.136000       1.521000      ?             ?      
1 1 1 19 52 1  o 3.748000       1.195000      ?             ?      
1 1 1 19 52 2  o 2.491000       0.9503000     ?             ?      
1 1 1 19 52 3  o 1.891000       0.8433000     ?             ?      
1 1 1 19 52 4  o -0.6218000     0.8451000     ?             ?      
1 1 1 19 52 5  o -1.073000      0.8580000     ?             ?      
1 1 1 19 52 6  o -0.7054000     0.8663000     ?             ?      
1 1 1 19 52 7  o 0.2560000      1.025000      ?             ?      
1 1 1 19 52 8  o 0.1496000      1.159000      ?             ?      
1 1 1 19 52 9  o 0.6712000      1.403000      ?             ?      
1 1 1 19 52 10 o 0.8979000      1.337000      ?             ?      
1 1 1 19 52 11 o 2.125000       1.337000      ?             ?      
1 1 1 19 52 12 o 3.222000       1.155000      ?             ?      
1 1 1 19 52 13 o 1.412000       1.134000      ?             ?      
1 1 1 19 52 14 o 0.1779000      1.304000      ?             ?      
1 1 1 19 52 15 o -0.2300000     1.313000      ?             ?      
1 1 1 19 52 16 o -0.8624000     1.406000      ?             ?      
1 1 1 19 52 17 o 0.8742000      1.412000      ?             ?      
1 1 1 19 52 18 o 1.515000       1.451000      ?             ?      
1 1 1 19 52 19 o -1.373000      2.039000      ?             ?      
1 1 1 19 52 20 o -0.2354000     2.089000      ?             ?      
1 1 1 19 52 21 o -0.3067000     1.475000      ?             ?      
1 1 1 19 52 22 o 0.2472000      1.471000      ?             ?      
1 1 1 19 52 23 o 2.008000       1.529000      ?             ?      
1 1 1 19 52 24 o -1.988000      1.508000      ?             ?      
1 1 1 19 52 25 o 0.5172000      1.485000      ?             ?      
1 1 1 19 52 26 o -1.392000      1.497000      ?             ?      
1 1 1 19 52 27 o 0.6306000      1.534000      ?             ?      
1 1 1 19 52 28 o -0.4243000     1.554000      ?             ?      
1 1 1 19 52 29 o 3.674000       1.582000      ?             ?      
1 1 1 19 52 30 o 1.572000       1.572000      ?             ?      
1 1 1 19 52 31 o -0.9164000     1.566000      ?             ?      
1 1 1 19 52 32 o 3.488000       2.179000      ?             ?      
1 1 1 19 52 33 o -1.748000      1.627000      ?             ?      
1 1 1 19 52 34 o -1.632000      1.600000      ?             ?      
1 1 1 19 52 35 o -0.8361000     2.275000      ?             ?      
1 1 1 19 52 36 o -0.2029000     2.292000      ?             ?      
1 1 1 19 52 37 o 1.568000       1.669000      ?             ?      
1 1 1 19 52 38 o 0.1543000      1.658000      ?             ?      
1 1 1 19 52 39 o -0.5971000E-01 1.658000      ?             ?      
1 1 1 19 52 40 o -0.4111000     1.352000      ?             ?      
1 1 1 19 52 41 o 0.6937000      2.425000      ?             ?      
1 1 1 19 53 0  o -1.358000      1.636000      ?             ?      
1 1 1 19 53 1  o 1.159000       1.007000      ?             ?      
1 1 1 19 53 2  o 0.1017000      0.8418000     ?             ?      
1 1 1 19 53 3  o 3.239000       0.8273000     ?             ?      
1 1 1 19 53 4  f 0.5431000      0.9018000     ?             ?      
1 1 1 19 53 5  o 1.449000       1.063000      ?             ?      
1 1 1 19 53 6  o 2.481000       0.9068000     ?             ?      
1 1 1 19 53 7  o 0.7731000      1.004000      ?             ?      
1 1 1 19 53 8  o 0.4949000      1.150000      ?             ?      
1 1 1 19 53 9  o -0.3900000     1.372000      ?             ?      
1 1 1 19 53 10 o 0.2360000      1.295000      ?             ?      
1 1 1 19 53 11 o 1.092000       1.119000      ?             ?      
1 1 1 19 53 12 o -1.507000      1.112000      ?             ?      
1 1 1 19 53 13 o -1.740000      1.653000      ?             ?      
1 1 1 19 53 14 o -2.829000      1.675000      ?             ?      
1 1 1 19 53 15 o 1.398000       1.146000      ?             ?      
1 1 1 19 53 16 o -0.3802000     1.383000      ?             ?      
1 1 1 19 53 17 o 2.128000       1.443000      ?             ?      
1 1 1 19 53 18 o 0.3595000      1.461000      ?             ?      
1 1 1 19 53 19 o 2.445000       2.051000      ?             ?      
1 1 1 19 53 20 o -3.177000      1.472000      ?             ?      
1 1 1 19 53 21 o 1.677000       1.470000      ?             ?      
1 1 1 19 53 22 o 0.8600000E-01  1.520000      ?             ?      
1 1 1 19 53 23 o 2.114000       1.511000      ?             ?      
1 1 1 19 53 24 o -1.015000      1.481000      ?             ?      
1 1 1 19 53 25 o 2.304000       1.502000      ?             ?      
1 1 1 19 53 26 o 1.147000       1.524000      ?             ?      
1 1 1 19 53 27 o 0.4157000      1.529000      ?             ?      
1 1 1 19 53 28 o 0.5331000      1.644000      ?             ?      
1 1 1 19 53 29 o -1.715000      1.546000      ?             ?      
1 1 1 19 53 30 o -2.998000      1.508000      ?             ?      
1 1 1 19 53 31 o -0.8719000     2.091000      ?             ?      
1 1 1 19 53 32 o -0.5162000     2.092000      ?             ?      
1 1 1 19 53 33 o -0.2511000     1.606000      ?             ?      
1 1 1 19 53 34 o -0.3076000E-01 1.644000      ?             ?      
1 1 1 19 53 35 o 0.7372000      2.336000      ?             ?      
1 1 1 19 53 36 o 0.4457000      1.640000      ?             ?      
1 1 1 19 53 37 o -1.848000      1.652000      ?             ?      
1 1 1 19 53 38 o 1.714000       1.701000      ?             ?      
1 1 1 19 53 39 o -1.548000      2.339000      ?             ?      
1 1 1 19 54 0  o -1.081000      1.581000      ?             ?      
1 1 1 19 54 1  o 0.2653000      0.9721000     ?             ?      
1 1 1 19 54 2  o 0.8214000      0.8046000     ?             ?      
1 1 1 19 54 3  o -0.9715000     0.8034000     ?             ?      
1 1 1 19 54 4  o -0.7099000E-01 0.8009000     ?             ?      
1 1 1 19 54 5  o 0.5511000      0.9112000     ?             ?      
1 1 1 19 54 6  o -0.3295000     0.8141000     ?             ?      
1 1 1 19 54 7  o -0.5296000     0.9962000     ?             ?      
1 1 1 19 54 8  o 0.7960000      1.163000      ?             ?      
1 1 1 19 54 9  o -0.3507000     1.128000      ?             ?      
1 1 1 19 54 10 o -0.3671000     1.119000      ?             ?      
1 1 1 19 54 11 o -0.8559000     1.101000      ?             ?      
1 1 1 19 54 12 o 1.083000       1.272000      ?             ?      
1 1 1 19 54 13 o 1.358000       1.258000      ?             ?      
1 1 1 19 54 14 o 2.631000       1.286000      ?             ?      
1 1 1 19 54 15 o 1.100000       1.146000      ?             ?      
1 1 1 19 54 16 o 0.7153000      2.013000      ?             ?      
1 1 1 19 54 17 o 0.7127000      1.999000      ?             ?      
1 1 1 19 54 18 o 1.477000       2.118000      ?             ?      
1 1 1 19 54 19 o -1.045000      2.022000      ?             ?      
1 1 1 19 54 20 o 5.198000       1.511000      ?             ?      
1 1 1 19 54 21 o -0.4593000     1.535000      ?             ?      
1 1 1 19 54 22 o 1.954000       1.484000      ?             ?      
1 1 1 19 54 23 o -1.098000      1.493000      ?             ?      
1 1 1 19 54 24 o -1.210000      1.515000      ?             ?      
1 1 1 19 54 25 o 0.6674000      1.504000      ?             ?      
1 1 1 19 54 26 o 2.065000       1.534000      ?             ?      
1 1 1 19 54 27 o 0.5662000      1.519000      ?             ?      
1 1 1 19 54 28 o 0.8512000      1.513000      ?             ?      
1 1 1 19 54 29 o 2.352000       1.558000      ?             ?      
1 1 1 19 54 30 o -0.8445000     2.074000      ?             ?      
1 1 1 19 54 31 o -0.1278000     2.068000      ?             ?      
1 1 1 19 54 32 o 0.2821000      0.9715000     ?             ?      
1 1 1 19 54 33 o 1.874000       1.622000      ?             ?      
1 1 1 19 54 34 o 3.685000       2.395000      ?             ?      
1 1 1 19 54 35 o -2.720000      2.323000      ?             ?      
1 1 1 19 54 36 o -4.438000      2.343000      ?             ?      
1 1 1 19 54 37 o 1.752000       1.686000      ?             ?      
1 1 1 19 54 38 o 1.665000       4.603000      ?             ?      
1 1 1 19 55 0  o 0.6540000      1.605000      ?             ?      
1 1 1 19 55 1  o 1.353000       0.9891000     ?             ?      
1 1 1 19 55 2  o 1.156000       0.8105000     ?             ?      
1 1 1 19 55 3  o 0.9908000      0.8003000     ?             ?      
1 1 1 19 55 4  o 1.473000       0.7941000     ?             ?      
1 1 1 19 55 5  o 0.6078000      0.8906000     ?             ?      
1 1 1 19 55 6  o -0.3231000     0.7984000     ?             ?      
1 1 1 19 55 7  o 1.381000       0.8080000     ?             ?      
1 1 1 19 55 8  o 0.2613000      1.079000      ?             ?      
1 1 1 19 55 9  o -0.2183000     1.082000      ?             ?      
1 1 1 19 55 10 o -1.422000      1.096000      ?             ?      
1 1 1 19 55 11 o 0.3506000E-01  1.089000      ?             ?      
1 1 1 19 55 12 o 2.338000       1.272000      ?             ?      
1 1 1 19 55 13 o 2.409000       1.260000      ?             ?      
1 1 1 19 55 14 o 0.5918000      1.129000      ?             ?      
1 1 1 19 55 15 o 0.2563000      1.414000      ?             ?      
1 1 1 19 55 16 f 3.302000       1.882000      ?             ?      
1 1 1 19 55 17 o 1.892000       1.920000      ?             ?      
1 1 1 19 55 18 o -2.513000      2.060000      ?             ?      
1 1 1 19 55 19 o 0.3303000      2.062000      ?             ?      
1 1 1 19 55 20 o -0.7668000     2.030000      ?             ?      
1 1 1 19 55 21 o 0.8223000      2.040000      ?             ?      
1 1 1 19 55 22 o 3.538000       2.142000      ?             ?      
1 1 1 19 55 23 o 0.5791000      1.488000      ?             ?      
1 1 1 19 55 24 o 2.376000       1.514000      ?             ?      
1 1 1 19 55 25 o -0.3101000     1.524000      ?             ?      
1 1 1 19 55 26 o 4.406000       1.559000      ?             ?      
1 1 1 19 55 27 o -1.301000      1.541000      ?             ?      
1 1 1 19 55 28 o 2.023000       1.537000      ?             ?      
1 1 1 19 55 29 o 2.505000       1.583000      ?             ?      
1 1 1 19 55 30 o 0.7817000      2.140000      ?             ?      
1 1 1 19 55 31 o 1.155000       2.094000      ?             ?      
1 1 1 19 55 32 o 2.110000       1.617000      ?             ?      
1 1 1 19 55 33 o 0.9940000      2.270000      ?             ?      
1 1 1 19 55 34 o 2.620000       2.374000      ?             ?      
1 1 1 19 55 35 o 0.4401000      2.371000      ?             ?      
1 1 1 19 55 36 o -1.636000      4.558000      ?             ?      
1 1 1 19 56 0  o 1.988000       1.599000      ?             ?      
1 1 1 19 56 1  o -0.4708000     0.9643000     ?             ?      
1 1 1 19 56 2  o -0.6577000     0.7870000     ?             ?      
1 1 1 19 56 3  o -0.3204000     0.7815000     ?             ?      
1 1 1 19 56 4  o 0.9637000      0.7877000     ?             ?      
1 1 1 19 56 5  o 0.7413000      0.8826000     ?             ?      
1 1 1 19 56 6  o 1.259000       0.7972000     ?             ?      
1 1 1 19 56 7  o 0.3952000      0.7839000     ?             ?      
1 1 1 19 56 8  o -0.3507000     1.039000      ?             ?      
1 1 1 19 56 9  o 0.7313000      1.089000      ?             ?      
1 1 1 19 56 10 o 0.5376000E-01  1.091000      ?             ?      
1 1 1 19 56 11 o -0.5563000     1.104000      ?             ?      
1 1 1 19 56 12 o 1.204000       1.259000      ?             ?      
1 1 1 19 56 13 o -1.003000      1.259000      ?             ?      
1 1 1 19 56 14 o 0.5026000      1.118000      ?             ?      
1 1 1 19 56 15 o 3.725000       1.407000      ?             ?      
1 1 1 19 56 16 o -1.105000      1.392000      ?             ?      
1 1 1 19 56 17 o 1.031000       2.012000      ?             ?      
1 1 1 19 56 18 o 0.7842000      1.990000      ?             ?      
1 1 1 19 56 19 o -0.2948000     1.502000      ?             ?      
1 1 1 19 56 20 o -0.4811000     1.962000      ?             ?      
1 1 1 19 56 21 o 0.3431000      1.990000      ?             ?      
1 1 1 19 56 22 o 0.8445000      1.489000      ?             ?      
1 1 1 19 56 23 o 0.3614000      1.484000      ?             ?      
1 1 1 19 56 24 o -0.4100000     2.167000      ?             ?      
1 1 1 19 56 25 o 4.765000       2.235000      ?             ?      
1 1 1 19 56 26 o 2.397000       2.193000      ?             ?      
1 1 1 19 56 27 o -0.7199000     2.171000      ?             ?      
1 1 1 19 56 28 o 1.832000       1.589000      ?             ?      
1 1 1 19 56 29 o -0.4832000     2.095000      ?             ?      
1 1 1 19 56 30 o -1.533000      2.087000      ?             ?      
1 1 1 19 56 31 o 3.472000       2.458000      ?             ?      
1 1 1 19 56 32 o -3.490000      2.318000      ?             ?      
1 1 1 19 56 33 o 2.181000       4.585000      ?             ?      
1 1 1 19 57 0  o -0.1376000     1.579000      ?             ?      
1 1 1 19 57 1  o 0.1556000      0.9640000     ?             ?      
1 1 1 19 57 2  o 1.140000       0.8915000     ?             ?      
1 1 1 19 57 3  o 0.4006000      0.7989000     ?             ?      
1 1 1 19 57 4  o -0.4599000     0.7701000     ?             ?      
1 1 1 19 57 5  o 0.9999000      0.8692000     ?             ?      
1 1 1 19 57 6  o 0.4717000      0.7897000     ?             ?      
1 1 1 19 57 7  o 1.014000       0.7856000     ?             ?      
1 1 1 19 57 8  o 1.402000       1.044000      ?             ?      
1 1 1 19 57 9  o 0.3558000      1.080000      ?             ?      
1 1 1 19 57 10 o 1.246000       1.106000      ?             ?      
1 1 1 19 57 11 o 0.4886000      1.303000      ?             ?      
1 1 1 19 57 12 o 1.983000       1.295000      ?             ?      
1 1 1 19 57 13 o 0.8316000      1.122000      ?             ?      
1 1 1 19 57 14 o 1.775000       1.114000      ?             ?      
1 1 1 19 57 15 o 2.713000       1.407000      ?             ?      
1 1 1 19 57 16 o -0.2042000     1.386000      ?             ?      
1 1 1 19 57 17 o 0.1424000      1.959000      ?             ?      
1 1 1 19 57 18 o 2.882000       2.053000      ?             ?      
1 1 1 19 57 19 o -1.485000      1.546000      ?             ?      
1 1 1 19 57 20 o 2.257000       1.482000      ?             ?      
1 1 1 19 57 21 o -1.057000      1.468000      ?             ?      
1 1 1 19 57 22 o 0.6687000      1.477000      ?             ?      
1 1 1 19 57 23 o 3.078000       2.009000      ?             ?      
1 1 1 19 57 24 o 0.8409000      1.956000      ?             ?      
1 1 1 19 57 25 o 0.9327000      1.989000      ?             ?      
1 1 1 19 57 26 o 0.5504000      1.550000      ?             ?      
1 1 1 19 57 27 o 1.153000       1.653000      ?             ?      
1 1 1 19 57 28 o 0.9948000      2.382000      ?             ?      
1 1 1 19 57 29 o -0.7597000     1.394000      ?             ?      
1 1 1 19 57 30 o 0.7070000      2.485000      ?             ?      
1 1 1 19 57 31 o 2.646000       2.417000      ?             ?      
1 1 1 19 58 0  o -1.635000      1.174000      ?             ?      
1 1 1 19 58 1  o -0.7748000     0.9811000     ?             ?      
1 1 1 19 58 2  o 1.300000       0.8888000     ?             ?      
1 1 1 19 58 3  o -0.5256000     0.7899000     ?             ?      
1 1 1 19 58 4  o 0.1641000      0.7776000     ?             ?      
1 1 1 19 58 5  o -0.4969000     0.8748000     ?             ?      
1 1 1 19 58 6  o 0.9225000      0.7842000     ?             ?      
1 1 1 19 58 7  o -1.737000      1.024000      ?             ?      
1 1 1 19 58 8  o 0.8282000      1.056000      ?             ?      
1 1 1 19 58 9  o 0.2181000      1.072000      ?             ?      
1 1 1 19 58 10 o -0.6810000     1.104000      ?             ?      
1 1 1 19 58 11 o -1.185000      1.282000      ?             ?      
1 1 1 19 58 12 o 0.5610000      1.297000      ?             ?      
1 1 1 19 58 13 o 1.024000       1.126000      ?             ?      
1 1 1 19 58 14 o 0.3728000      1.107000      ?             ?      
1 1 1 19 58 15 o -1.173000      1.382000      ?             ?      
1 1 1 19 58 16 o -0.5803000     2.023000      ?             ?      
1 1 1 19 58 17 o 1.011000       2.035000      ?             ?      
1 1 1 19 58 18 o 0.4254000      1.508000      ?             ?      
1 1 1 19 58 19 o -0.4141000     1.503000      ?             ?      
1 1 1 19 58 20 o -1.283000      1.463000      ?             ?      
1 1 1 19 58 21 f 1.439000       1.475000      ?             ?      
1 1 1 19 58 22 o 0.7885000E-02  1.504000      ?             ?      
1 1 1 19 58 23 o 3.907000       1.513000      ?             ?      
1 1 1 19 58 24 o -1.045000      1.537000      ?             ?      
1 1 1 19 58 25 o -2.112000      1.535000      ?             ?      
1 1 1 19 58 26 o -2.085000      2.317000      ?             ?      
1 1 1 19 58 27 o 0.7046000      1.397000      ?             ?      
1 1 1 19 58 28 o -2.545000      1.542000      ?             ?      
1 1 1 19 58 29 < 0.000000       -1.000000     ?             ?      
1 1 1 19 59 0  o 0.1720000      1.175000      ?             ?      
1 1 1 19 59 1  o 0.5384000      0.9879000     ?             ?      
1 1 1 19 59 2  o 0.2851000      0.8977000     ?             ?      
1 1 1 19 59 3  o 0.1960000      0.7902000     ?             ?      
1 1 1 19 59 4  o -1.181000      0.7792000     ?             ?      
1 1 1 19 59 5  o 0.4721000      0.8876000     ?             ?      
1 1 1 19 59 6  o -0.2452000     0.7998000     ?             ?      
1 1 1 19 59 7  o 0.6670000      0.8060000     ?             ?      
1 1 1 19 59 8  o 2.294000       1.066000      ?             ?      
1 1 1 19 59 9  o 0.7729000      1.083000      ?             ?      
1 1 1 19 59 10 o 0.2671000      1.247000      ?             ?      
1 1 1 19 59 11 o 1.214000       1.282000      ?             ?      
1 1 1 19 59 12 o 0.7749000      1.130000      ?             ?      
1 1 1 19 59 13 o -0.5121000E-01 1.093000      ?             ?      
1 1 1 19 59 14 o 0.4722000      1.103000      ?             ?      
1 1 1 19 59 15 o 1.669000       1.397000      ?             ?      
1 1 1 19 59 16 o -2.368000      2.034000      ?             ?      
1 1 1 19 59 17 o -0.2192000     2.069000      ?             ?      
1 1 1 19 59 18 o 2.653000       1.526000      ?             ?      
1 1 1 19 59 19 o -1.714000      1.462000      ?             ?      
1 1 1 19 59 20 o 1.106000       1.470000      ?             ?      
1 1 1 19 59 21 o 1.954000       1.504000      ?             ?      
1 1 1 19 59 22 o -2.886000      2.143000      ?             ?      
1 1 1 19 59 23 o 1.359000       2.143000      ?             ?      
1 1 1 19 59 24 o 0.3891000      2.272000      ?             ?      
1 1 1 19 59 25 o 1.998000       2.259000      ?             ?      
1 1 1 19 59 26 o -0.3038000E-01 2.286000      ?             ?      
1 1 1 19 60 0  o 1.199000       1.204000      ?             ?      
1 1 1 19 60 1  o 0.1511000      0.9318000     ?             ?      
1 1 1 19 60 2  o -0.3282000E-01 0.9042000     ?             ?      
1 1 1 19 60 3  o 0.1155000      0.7948000     ?             ?      
1 1 1 19 60 4  o 0.9002000E-01  0.7909000     ?             ?      
1 1 1 19 60 5  o -0.2578000     0.8899000     ?             ?      
1 1 1 19 60 6  o 0.8185000      0.8940000     ?             ?      
1 1 1 19 60 7  o -0.1333000     0.8077000     ?             ?      
1 1 1 19 60 8  o -1.289000      1.096000      ?             ?      
1 1 1 19 60 9  o -2.363000      1.119000      ?             ?      
1 1 1 19 60 10 o -0.3962000E-01 1.295000      ?             ?      
1 1 1 19 60 11 o -2.585000      1.322000      ?             ?      
1 1 1 19 60 12 o 0.5076000      1.155000      ?             ?      
1 1 1 19 60 13 o 0.9048000      1.124000      ?             ?      
1 1 1 19 60 14 o -0.1267000E-01 1.140000      ?             ?      
1 1 1 19 60 15 o 0.7854000      2.081000      ?             ?      
1 1 1 19 60 16 o 0.2363000      2.102000      ?             ?      
1 1 1 19 60 17 o -0.2880000     1.386000      ?             ?      
1 1 1 19 60 18 o -0.2249000     2.136000      ?             ?      
1 1 1 19 60 19 o -3.291000      2.120000      ?             ?      
1 1 1 19 60 20 o 1.628000       2.155000      ?             ?      
1 1 1 19 60 21 o 0.2690000      2.170000      ?             ?      
1 1 1 19 60 22 o 1.325000       2.183000      ?             ?      
1 1 1 19 60 23 o 1.199000       1.370000      ?             ?      
1 1 1 19 61 0  o 2.487000       1.220000      ?             ?      
1 1 1 19 61 1  o 0.4511000      1.006000      ?             ?      
1 1 1 19 61 2  o 0.7018000      1.011000      ?             ?      
1 1 1 19 61 3  o 0.9355000E-02  0.8684000     ?             ?      
1 1 1 19 61 4  o 0.7368000E-01  0.8650000     ?             ?      
1 1 1 19 61 5  o -1.237000      1.025000      ?             ?      
1 1 1 19 61 6  o -0.2373000     1.020000      ?             ?      
1 1 1 19 61 7  o -0.2778000E-01 0.8918000     ?             ?      
1 1 1 19 61 8  o -0.9223000     1.308000      ?             ?      
1 1 1 19 61 9  o -0.3474000     1.659000      ?             ?      
1 1 1 19 61 10 o 2.099000       1.713000      ?             ?      
1 1 1 19 61 11 o -0.5880000E-01 1.398000      ?             ?      
1 1 1 19 61 12 o 2.491000       1.395000      ?             ?      
1 1 1 19 61 13 o 0.6599000      1.359000      ?             ?      
1 1 1 19 61 14 o 0.6284000      2.077000      ?             ?      
1 1 1 19 61 15 o 1.490000       2.127000      ?             ?      
1 1 1 19 61 16 o -1.139000      2.107000      ?             ?      
1 1 1 19 61 17 o -0.6565000     1.407000      ?             ?      
1 1 1 19 61 18 o -1.005000      2.156000      ?             ?      
1 1 1 19 61 19 o -3.519000      2.130000      ?             ?      
1 1 1 19 62 0  o 1.114000       1.213000      ?             ?      
1 1 1 19 62 1  o -0.9733000     1.002000      ?             ?      
1 1 1 19 62 2  o -0.3079000     1.014000      ?             ?      
1 1 1 19 62 3  o -0.5778000     0.8695000     ?             ?      
1 1 1 19 62 4  o 0.5932000      0.8685000     ?             ?      
1 1 1 19 62 5  o 0.8818000E-01  1.012000      ?             ?      
1 1 1 19 62 6  o -0.8513000     1.128000      ?             ?      
1 1 1 19 62 7  o 0.1619000      0.8893000     ?             ?      
1 1 1 19 62 8  o -0.1238000     1.329000      ?             ?      
1 1 1 19 62 9  o 1.359000       1.710000      ?             ?      
1 1 1 19 62 10 o 0.5335000      1.726000      ?             ?      
1 1 1 19 62 11 o -2.797000      3.909000      ?             ?      
1 1 1 19 62 12 o -0.1820000     2.081000      ?             ?      
1 1 1 19 62 13 o -0.6216000     1.172000      ?             ?      
1 1 1 19 62 14 o -0.4217000E-01 2.129000      ?             ?      
1 1 1 19 62 15 < 0.000000       -1.000000     ?             ?      
1 1 1 19 63 0  o -1.526000      1.281000      ?             ?      
1 1 1 19 63 1  o -1.414000      1.703000      ?             ?      
1 1 1 19 63 2  o -1.160000      1.074000      ?             ?      
1 1 1 19 63 3  o 0.5092000      0.9321000     ?             ?      
1 1 1 19 63 4  o -0.4056000     0.9287000     ?             ?      
1 1 1 19 63 5  o 1.023000       0.9368000     ?             ?      
1 1 1 19 63 6  o 0.7574000      1.148000      ?             ?      
1 1 1 19 63 7  o -1.239000      1.044000      ?             ?      
1 1 1 20 0  1  o 23.26000       1.177000      613.6453      -90.0  
1 1 1 20 0  2  o 425.9000       9.809000      2192.236      -180.0 
1 1 1 20 0  3  o 32.87000       1.301000      524.5612      90.0   
1 1 1 20 0  4  o 16.54000       1.123000      757.7839      180.0  
1 1 1 20 0  5  o 0.7126000E-01  0.8210000     42.24137      90.0   
1 1 1 20 0  6  o 1.375000       0.8945000     670.5821      0.0    
1 1 1 20 0  7  o 283.0000       8.249000      2232.353      90.0   
1 1 1 20 0  8  o 683.7000       19.09000      3010.963      0.0    
1 1 1 20 0  9  o 11.43000       1.046000      1164.936      -90.0  
1 1 1 20 0  10 o 122.6000       3.671000      1682.552      180.0  
1 1 1 20 0  11 o 91.92000       3.325000      1313.738      -90.0  
1 1 1 20 0  12 o 189.4000       5.019000      1496.426      180.0  
1 1 1 20 0  13 o 17.39000       1.221000      875.5552      -90.0  
1 1 1 20 0  14 o 186.7000       6.275000      1646.022      180.0  
1 1 1 20 0  15 o 54.82000       2.088000      982.5285      -90.0  
1 1 1 20 0  16 o 26.24000       1.708000      355.6385      -0.0   
1 1 1 20 0  17 f 173.2000       7.317000      1455.489      -90.0  
1 1 1 20 0  18 o 20.72000       2.755000      947.8160      180.0  
1 1 1 20 0  20 o 141.3000       8.814000      1345.847      0.0    
1 1 1 20 0  21 o 102.4000       4.045000      1556.996      -90.0  
1 1 1 20 0  22 o 22.45000       1.835000      374.8074      0.0    
1 1 1 20 0  23 o 48.01000       2.242000      1107.969      90.0   
1 1 1 20 0  24 o 106.6000       3.585000      1325.037      180.0  
1 1 1 20 0  25 o 35.73000       2.006000      883.6725      90.0   
1 1 1 20 0  26 o 5.373000       1.544000      47.49283      180.0  
1 1 1 20 0  27 o 125.2000       4.008000      1734.152      90.0   
1 1 1 20 0  28 o 163.5000       4.994000      1847.881      -180.0 
1 1 1 20 0  29 o 107.0000       3.549000      1551.472      -90.0  
1 1 1 20 0  30 o -2.009000      1.439000      3.854775      0.0    
1 1 1 20 0  31 o 12.16000       1.534000      802.6885      90.0   
1 1 1 20 0  32 o 19.83000       1.612000      727.8870      180.0  
1 1 1 20 0  33 o 128.2000       4.084000      1471.764      90.0   
1 1 1 20 0  34 o 10.76000       1.535000      524.1495      -0.0   
1 1 1 20 0  35 o 10.50000       1.544000      213.5207      90.0   
1 1 1 20 0  36 o 69.90000       2.680000      1075.871      180.0  
1 1 1 20 0  37 o 2.438000       1.501000      57.92746      -90.0  
1 1 1 20 0  38 o 49.63000       2.283000      844.0828      180.0  
1 1 1 20 0  39 o 13.08000       1.630000      198.1018      -90.0  
1 1 1 20 0  40 o 66.55000       3.173000      1148.067      0.0    
1 1 1 20 0  41 o 1.564000       2.327000      61.49566      90.0   
1 1 1 20 0  42 o 8.466000       2.506000      367.7968      0.0    
1 1 1 20 0  43 o -2.335000      3.320000      278.2159      -90.0  
1 1 1 20 0  44 o 1.189000       2.402000      314.3742      0.0    
1 1 1 20 0  45 o 83.50000       3.217000      1647.425      90.0   
1 1 1 20 0  46 o 38.84000       2.263000      804.6797      0.0    
1 1 1 20 0  47 o -0.1121000     1.776000      0.9578069     -90.0  
1 1 1 20 0  48 o 34.02000       2.608000      839.6753      180.0  
1 1 1 20 0  49 o 0.2817000      2.127000      363.0392      -90.0  
1 1 1 20 0  50 o 0.7776000      2.135000      111.4687      180.0  
1 1 1 20 0  51 o 2.650000       2.177000      96.85744      -90.0  
1 1 1 20 0  52 o 0.5837000      1.944000      53.39756      -180.0 
1 1 1 20 0  53 o -2.469000      1.967000      77.30514      90.0   
1 1 1 20 0  54 o -0.6702000     1.966000      55.08817      180.0  
1 1 1 20 0  55 o 2.809000       2.009000      274.8693      90.0   
1 1 1 20 0  56 o 14.39000       2.099000      ?             ?      
1 1 1 20 0  57 o 4.476000       1.932000      ?             ?      
1 1 1 20 0  58 o 11.94000       2.323000      ?             ?      
1 1 1 20 0  59 o -0.4844000     3.758000      ?             ?      
1 1 1 20 0  60 o 25.46000       4.408000      ?             ?      
1 1 1 20 0  61 o 4.422000       2.207000      ?             ?      
1 1 1 20 0  62 o 2.242000       1.915000      ?             ?      
1 1 1 20 0  63 o 4.093000       1.900000      ?             ?      
1 1 1 20 0  64 o 6.680000       1.941000      ?             ?      
1 1 1 20 0  65 o 1.708000       1.874000      ?             ?      
1 1 1 20 0  66 o -2.354000      1.849000      ?             ?      
1 1 1 20 0  67 o -1.898000      1.863000      ?             ?      
1 1 1 20 0  68 o 0.6324000      1.872000      ?             ?      
1 1 1 20 0  69 o 9.450000       1.986000      ?             ?      
1 1 1 20 0  70 o -0.7222000     1.906000      ?             ?      
1 1 1 20 0  71 o 0.6172000      1.946000      ?             ?      
1 1 1 20 0  72 o 4.505000       2.036000      ?             ?      
1 1 1 20 1  0  o 107.4000       2.775000      1544.782      180.0  
1 1 1 20 1  1  o 126.8000       2.364000      1222.313      -62.2  
1 1 1 20 1  2  o 63.59000       1.551000      952.6174      25.9   
1 1 1 20 1  3  o 22.97000       1.020000      671.0201      -139.8 
1 1 1 20 1  4  o 23.77000       0.8237000     1013.733      65.7   
1 1 1 20 1  5  o 12.74000       0.6728000     527.7463      120.9  
1 1 1 20 1  6  f 288.9000       6.312000      2484.940      166.2  
1 1 1 20 1  7  o 33.17000       1.197000      858.6578      88.6   
1 1 1 20 1  8  o 173.9000       3.603000      1798.114      13.0   
1 1 1 20 1  9  o 8.590000       0.6962000     133.4401      165.1  
1 1 1 20 1  10 o 26.01000       0.9131000     1134.329      -74.7  
1 1 1 20 1  11 o 44.30000       1.179000      1043.229      167.8  
1 1 1 20 1  12 o 6.312000       0.7379000     158.6076      125.2  
1 1 1 20 1  13 o 49.50000       1.728000      604.5955      -23.9  
1 1 1 20 1  14 o 354.5000       7.095000      2661.060      -81.5  
1 1 1 20 1  15 o 27.09000       1.063000      272.6625      77.9   
1 1 1 20 1  16 o 71.50000       2.336000      1510.494      -30.2  
1 1 1 20 1  17 o 159.2000       4.345000      2225.930      -1.8   
1 1 1 20 1  18 o 942.2000       37.09000      3931.677      108.8  
1 1 1 20 1  19 o 14.84000       2.203000      1007.516      -65.3  
1 1 1 20 1  20 o 108.3000       7.207000      1280.630      21.2   
1 1 1 20 1  21 o 28.47000       1.624000      806.4457      109.4  
1 1 1 20 1  22 o 198.0000       4.536000      1561.885      -86.1  
1 1 1 20 1  23 o 14.86000       1.215000      962.7413      -111.2 
1 1 1 20 1  24 o 301.9000       6.180000      2165.627      68.7   
1 1 1 20 1  25 o 29.94000       1.326000      570.6633      -39.2  
1 1 1 20 1  26 f 59.62000       1.719000      838.3753      93.0   
1 1 1 20 1  27 o 93.97000       2.278000      1170.659      -105.2 
1 1 1 20 1  28 o 0.2854000      1.032000      567.5707      40.4   
1 1 1 20 1  29 o 52.74000       1.594000      981.9603      -53.3  
1 1 1 20 1  30 o 68.89000       1.847000      1070.214      152.1  
1 1 1 20 1  31 o 78.65000       2.006000      1172.885      -176.5 
1 1 1 20 1  32 o 55.63000       1.632000      1038.302      -107.5 
1 1 1 20 1  33 o 28.89000       1.263000      872.5308      -166.9 
1 1 1 20 1  34 o 98.58000       2.367000      1495.275      140.4  
1 1 1 20 1  35 o 6.661000       1.052000      378.2599      41.7   
1 1 1 20 1  36 o 27.25000       1.258000      728.6725      74.8   
1 1 1 20 1  37 o 44.64000       1.503000      761.4889      -86.8  
1 1 1 20 1  38 o 32.42000       1.471000      953.3314      72.2   
1 1 1 20 1  39 o 12.67000       1.248000      405.9300      12.8   
1 1 1 20 1  40 o 0.3298000      1.181000      83.74026      -36.0  
1 1 1 20 1  41 o 7.377000       1.872000      356.5122      52.1   
1 1 1 20 1  42 o 7.416000       1.956000      231.1225      -78.2  
1 1 1 20 1  43 o 3.238000       1.888000      368.0953      -145.6 
1 1 1 20 1  44 o -0.4572000     1.391000      91.91165      99.6   
1 1 1 20 1  45 o 26.61000       1.480000      707.5179      -14.2  
1 1 1 20 1  46 o 10.89000       1.505000      274.8749      -148.5 
1 1 1 20 1  47 o 33.74000       1.590000      781.9396      -14.9  
1 1 1 20 1  48 o 29.96000       1.671000      774.6454      -38.7  
1 1 1 20 1  49 o 5.134000       1.435000      225.2467      -16.2  
1 1 1 20 1  50 o 8.687000       1.470000      543.6663      114.7  
1 1 1 20 1  51 o 2.407000       1.458000      221.5403      21.0   
1 1 1 20 1  52 o 3.560000       1.394000      254.0790      77.3   
1 1 1 20 1  53 o 29.88000       1.784000      918.5247      -14.1  
1 1 1 20 1  54 o 2.166000       1.434000      30.04072      161.1  
1 1 1 20 1  55 o 9.281000       1.459000      512.6646      28.8   
1 1 1 20 1  56 o 2.570000       1.405000      ?             ?      
1 1 1 20 1  57 o 3.299000       1.375000      ?             ?      
1 1 1 20 1  58 o 1.078000       1.586000      ?             ?      
1 1 1 20 1  59 o 9.881000       2.185000      ?             ?      
1 1 1 20 1  60 o 16.56000       2.363000      ?             ?      
1 1 1 20 1  61 o 8.867000       1.536000      ?             ?      
1 1 1 20 1  62 o 11.75000       1.416000      ?             ?      
1 1 1 20 1  63 o 1.599000       1.327000      ?             ?      
1 1 1 20 1  64 o 15.12000       1.449000      ?             ?      
1 1 1 20 1  65 o 1.304000       1.329000      ?             ?      
1 1 1 20 1  66 o 5.081000       1.333000      ?             ?      
1 1 1 20 1  67 o 1.645000       1.319000      ?             ?      
1 1 1 20 1  68 o 4.471000       1.331000      ?             ?      
1 1 1 20 1  69 o 1.054000       1.323000      ?             ?      
1 1 1 20 1  70 o 0.2408000      1.918000      ?             ?      
1 1 1 20 1  71 o 1.297000       1.370000      ?             ?      
1 1 1 20 1  72 o 0.7165000      1.480000      ?             ?      
1 1 1 20 2  0  o 448.8000       10.36000      2869.004      -0.0   
1 1 1 20 2  1  o 242.9000       6.322000      2177.415      169.7  
1 1 1 20 2  2  o 31.42000       1.109000      849.8543      177.8  
1 1 1 20 2  3  o 79.43000       1.962000      1351.708      -55.3  
1 1 1 20 2  4  o 111.6000       2.499000      1502.370      -161.3 
1 1 1 20 2  5  o 79.49000       1.864000      1409.485      75.5   
1 1 1 20 2  6  o 27.60000       0.8591000     826.0170      -138.5 
1 1 1 20 2  7  o 142.0000       2.616000      1673.139      45.3   
1 1 1 20 2  8  o 59.31000       1.404000      1194.141      70.3   
1 1 1 20 2  9  o 6.811000       0.6866000     474.1753      -77.0  
1 1 1 20 2  10 o 27.44000       0.9141000     453.2861      141.7  
1 1 1 20 2  11 o 67.79000       1.506000      1505.677      32.2   
1 1 1 20 2  12 o 105.7000       2.141000      1523.183      160.3  
1 1 1 20 2  13 o 438.3000       8.294000      2575.715      -89.9  
1 1 1 20 2  14 o 8.919000       0.8564000     157.4117      45.0   
1 1 1 20 2  15 o 64.00000       1.848000      1566.865      -31.3  
1 1 1 20 2  16 o 82.13000       2.178000      1250.878      82.3   
1 1 1 20 2  17 o 26.33000       1.645000      930.3824      168.5  
1 1 1 20 2  18 o 121.3000       4.741000      1703.287      110.0  
1 1 1 20 2  19 o 56.78000       3.189000      1297.622      142.3  
1 1 1 20 2  20 o 430.6000       14.11000      3160.298      -18.4  
1 1 1 20 2  21 o 62.81000       2.309000      1502.691      145.9  
1 1 1 20 2  22 o 24.86000       1.453000      499.2532      77.8   
1 1 1 20 2  23 o 69.96000       2.120000      1261.233      80.9   
1 1 1 20 2  24 o 5.206000       1.160000      491.2937      88.6   
1 1 1 20 2  25 o 91.73000       2.437000      1155.563      109.5  
1 1 1 20 2  26 o 370.3000       7.481000      2600.092      77.3   
1 1 1 20 2  27 o 99.29000       2.559000      1293.494      160.4  
1 1 1 20 2  28 o 15.65000       1.136000      478.6046      72.5   
1 1 1 20 2  29 o 19.27000       1.164000      797.4503      -132.5 
1 1 1 20 2  30 o 21.48000       1.182000      535.5742      -40.7  
1 1 1 20 2  31 o 11.82000       1.079000      532.0542      -95.2  
1 1 1 20 2  32 o 29.49000       1.258000      580.3332      22.4   
1 1 1 20 2  33 o 15.11000       1.110000      574.3252      -14.0  
1 1 1 20 2  34 o 9.534000       1.072000      501.0756      -94.5  
1 1 1 20 2  35 o 29.33000       1.287000      628.7244      162.5  
1 1 1 20 2  36 o 2.873000       1.123000      250.2475      -174.4 
1 1 1 20 2  37 o 2.333000       1.054000      312.2150      172.3  
1 1 1 20 2  38 o 2.273000       1.075000      192.0880      136.2  
1 1 1 20 2  39 o 45.93000       1.687000      944.2909      -110.3 
1 1 1 20 2  40 o 34.19000       1.520000      916.5927      40.3   
1 1 1 20 2  41 o 1.710000       1.680000      301.6953      52.2   
1 1 1 20 2  42 o 5.973000       1.814000      406.2021      -30.2  
1 1 1 20 2  43 o 13.80000       1.997000      609.8681      -22.2  
1 1 1 20 2  44 o 7.777000       1.606000      409.0230      43.4   
1 1 1 20 2  45 o 11.24000       1.506000      631.8591      114.3  
1 1 1 20 2  46 o 93.41000       2.837000      ?             ?      
1 1 1 20 2  47 o 2.133000       1.288000      286.3669      -48.8  
1 1 1 20 2  48 o 32.58000       1.679000      773.9971      -141.4 
1 1 1 20 2  49 o 16.46000       1.507000      621.2689      117.9  
1 1 1 20 2  50 o 6.160000       1.353000      302.2742      -89.2  
1 1 1 20 2  51 o 10.69000       1.416000      520.8321      137.3  
1 1 1 20 2  52 o 0.5096000      1.401000      112.6430      116.3  
1 1 1 20 2  53 o 3.897000       1.545000      309.5096      -81.9  
1 1 1 20 2  54 o 5.422000       1.458000      371.2658      105.9  
1 1 1 20 2  55 o 19.48000       1.682000      483.6791      156.0  
1 1 1 20 2  56 o 5.983000       1.527000      ?             ?      
1 1 1 20 2  57 o 1.674000       1.460000      ?             ?      
1 1 1 20 2  58 o 13.88000       1.798000      ?             ?      
1 1 1 20 2  59 o 1.310000       2.153000      ?             ?      
1 1 1 20 2  60 o 3.661000       2.165000      ?             ?      
1 1 1 20 2  61 o 1.279000       1.737000      ?             ?      
1 1 1 20 2  62 o 1.909000       1.416000      ?             ?      
1 1 1 20 2  63 o 3.734000       1.318000      ?             ?      
1 1 1 20 2  64 o 1.630000       1.330000      ?             ?      
1 1 1 20 2  65 o 6.484000       1.359000      ?             ?      
1 1 1 20 2  66 o 2.978000       1.322000      ?             ?      
1 1 1 20 2  67 o 0.7361000      1.311000      ?             ?      
1 1 1 20 2  68 o 2.251000       1.332000      ?             ?      
1 1 1 20 2  69 o -1.846000      1.322000      ?             ?      
1 1 1 20 2  70 o 1.124000       1.342000      ?             ?      
1 1 1 20 2  71 o -0.3640000     1.928000      ?             ?      
1 1 1 20 2  72 o 1.823000       1.500000      ?             ?      
1 1 1 20 3  0  o 8.799000       1.056000      19.48225      -0.0   
1 1 1 20 3  1  o 211.8000       3.915000      2060.702      -14.4  
1 1 1 20 3  2  o 43.78000       1.344000      1109.909      -137.0 
1 1 1 20 3  3  o 0.5095000      0.6345000     85.30833      42.6   
1 1 1 20 3  4  o 182.9000       3.496000      2270.864      90.2   
1 1 1 20 3  5  o 159.0000       3.683000      1967.545      -115.1 
1 1 1 20 3  6  o 116.5000       2.208000      1570.349      158.1  
1 1 1 20 3  7  o 18.15000       0.8348000     385.1290      34.5   
1 1 1 20 3  8  o 24.61000       0.9973000     1002.258      100.0  
1 1 1 20 3  9  o 161.4000       3.433000      1976.560      -121.1 
1 1 1 20 3  10 o 77.13000       2.059000      1403.019      74.5   
1 1 1 20 3  11 o 10.37000       0.7411000     761.4938      47.8   
1 1 1 20 3  12 o 70.23000       1.723000      1073.128      46.4   
1 1 1 20 3  13 o 43.90000       1.380000      1596.844      40.9   
1 1 1 20 3  14 o 286.5000       5.532000      2443.339      -105.1 
1 1 1 20 3  15 o 53.10000       1.626000      1003.260      16.9   
1 1 1 20 3  16 o 77.95000       2.353000      1514.204      -78.5  
1 1 1 20 3  17 o 111.4000       4.227000      1415.021      154.6  
1 1 1 20 3  18 o 22.18000       1.595000      748.6125      174.9  
1 1 1 20 3  19 o 20.65000       2.103000      922.5151      24.7   
1 1 1 20 3  20 o 34.92000       2.377000      817.4719      103.9  
1 1 1 20 3  21 o 58.10000       3.664000      1126.004      124.2  
1 1 1 20 3  22 o 26.51000       1.564000      794.8982      -157.7 
1 1 1 20 3  23 o 1.930000       1.280000      414.7038      -167.8 
1 1 1 20 3  24 o 118.0000       2.994000      1700.281      93.9   
1 1 1 20 3  25 o 3.308000       1.108000      207.1038      -148.6 
1 1 1 20 3  26 o 13.50000       1.183000      641.2772      -107.8 
1 1 1 20 3  27 o 151.9000       3.329000      1681.529      -113.6 
1 1 1 20 3  28 o 16.86000       1.152000      817.2860      -55.2  
1 1 1 20 3  29 o 96.10000       2.314000      1086.102      -166.6 
1 1 1 20 3  30 o 57.54000       1.669000      819.7711      170.0  
1 1 1 20 3  31 o 13.59000       1.100000      812.7859      117.9  
1 1 1 20 3  32 o 69.94000       1.877000      1326.696      -74.3  
1 1 1 20 3  33 o 30.51000       1.419000      781.9411      115.7  
1 1 1 20 3  34 o 15.31000       1.239000      529.6726      122.1  
1 1 1 20 3  35 o 49.02000       1.564000      952.6355      -62.5  
1 1 1 20 3  36 o 21.84000       1.321000      618.8218      -160.7 
1 1 1 20 3  37 o 34.85000       1.499000      820.2731      -96.7  
1 1 1 20 3  38 o 13.90000       1.141000      477.3217      43.5   
1 1 1 20 3  39 o 1.402000       1.135000      256.1401      89.7   
1 1 1 20 3  40 o 17.24000       1.437000      550.8175      -46.4  
1 1 1 20 3  41 o -0.1285000     1.402000      217.1570      -28.0  
1 1 1 20 3  42 o 31.70000       1.696000      725.0445      42.7   
1 1 1 20 3  43 o 4.400000       1.407000      403.2566      84.7   
1 1 1 20 3  44 o 10.29000       1.619000      502.9698      89.0   
1 1 1 20 3  45 o -0.8996000     1.318000      106.7672      -172.8 
1 1 1 20 3  46 o 8.274000       1.288000      429.8250      -161.0 
1 1 1 20 3  47 o 19.00000       1.377000      495.2265      39.6   
1 1 1 20 3  48 o 8.998000       1.417000      486.2436      54.3   
1 1 1 20 3  49 o 4.971000       1.411000      305.6622      -29.8  
1 1 1 20 3  50 o 3.780000       1.431000      358.1789      -177.1 
1 1 1 20 3  51 o 12.01000       1.537000      604.7699      -4.6   
1 1 1 20 3  52 o 1.774000       1.410000      92.31773      95.9   
1 1 1 20 3  53 o 10.67000       1.467000      495.6710      -110.4 
1 1 1 20 3  54 o 7.232000       1.463000      365.7698      133.0  
1 1 1 20 3  55 o 11.74000       1.579000      506.9305      94.4   
1 1 1 20 3  56 o 9.558000       1.548000      ?             ?      
1 1 1 20 3  57 o 7.151000       1.493000      ?             ?      
1 1 1 20 3  58 o -0.1447000     1.641000      ?             ?      
1 1 1 20 3  59 o 0.7680000      1.737000      ?             ?      
1 1 1 20 3  60 o 1.670000       1.596000      ?             ?      
1 1 1 20 3  61 o 5.989000       1.652000      ?             ?      
1 1 1 20 3  62 o 0.7638000      1.377000      ?             ?      
1 1 1 20 3  63 o 1.060000       1.291000      ?             ?      
1 1 1 20 3  64 o 0.8562000E-01  1.289000      ?             ?      
1 1 1 20 3  65 o 4.352000       1.315000      ?             ?      
1 1 1 20 3  66 o 1.359000       1.302000      ?             ?      
1 1 1 20 3  67 o 1.334000       1.305000      ?             ?      
1 1 1 20 3  68 o 2.881000       1.335000      ?             ?      
1 1 1 20 3  69 o 0.6720000      1.340000      ?             ?      
1 1 1 20 3  70 o 2.869000       1.367000      ?             ?      
1 1 1 20 3  71 o 2.864000       1.497000      ?             ?      
1 1 1 20 3  72 o 0.1034000      1.907000      ?             ?      
1 1 1 20 4  0  o 7.854000       1.098000      897.4070      -180.0 
1 1 1 20 4  1  o 39.40000       1.069000      1056.416      142.4  
1 1 1 20 4  2  o 28.39000       0.8859000     1063.746      -113.5 
1 1 1 20 4  3  o 80.59000       1.814000      969.9686      12.8   
1 1 1 20 4  4  o 78.47000       1.596000      1333.381      136.4  
1 1 1 20 4  5  o 0.6382000      0.6579000     243.9570      -52.0  
1 1 1 20 4  6  o 152.9000       3.080000      1658.509      -37.3  
1 1 1 20 4  7  o 15.74000       0.8066000     616.1159      -99.5  
1 1 1 20 4  8  o 0.1956000      0.6375000     180.2425      -64.8  
1 1 1 20 4  9  o 44.19000       1.159000      1154.101      91.9   
1 1 1 20 4  10 o 1.385000       0.6902000     377.1953      -176.4 
1 1 1 20 4  11 o 43.88000       1.475000      897.9337      161.7  
1 1 1 20 4  12 o 239.0000       4.430000      2295.444      -169.8 
1 1 1 20 4  13 o 126.4000       2.989000      1806.817      -40.3  
1 1 1 20 4  14 o 72.40000       2.064000      1429.054      80.8   
1 1 1 20 4  15 o 218.8000       4.957000      1922.560      -25.0  
1 1 1 20 4  16 o 38.13000       1.471000      1106.065      79.7   
1 1 1 20 4  17 o 43.94000       1.867000      740.1620      -66.4  
1 1 1 20 4  18 o 16.01000       1.768000      722.3020      95.4   
1 1 1 20 4  19 o 6.540000       1.387000      615.7921      -35.0  
1 1 1 20 4  20 o 62.39000       2.277000      1299.059      30.0   
1 1 1 20 4  21 o 500.7000       12.34000      3093.281      175.7  
1 1 1 20 4  22 o 60.62000       2.156000      1156.506      -124.3 
1 1 1 20 4  23 o 56.42000       1.896000      1007.950      -84.3  
1 1 1 20 4  24 o 24.69000       1.420000      570.5612      19.8   
1 1 1 20 4  25 o 49.11000       1.585000      825.8986      125.3  
1 1 1 20 4  26 o 136.3000       3.062000      1486.323      48.2   
1 1 1 20 4  27 o 55.43000       1.651000      1099.947      -109.8 
1 1 1 20 4  28 o 46.08000       1.515000      769.8113      68.7   
1 1 1 20 4  29 o 34.97000       1.352000      783.0038      -140.8 
1 1 1 20 4  30 o 79.39000       2.028000      1209.709      -62.0  
1 1 1 20 4  31 o -0.1584000     1.095000      167.2132      36.9   
1 1 1 20 4  32 o 6.632000       1.133000      279.1299      -11.1  
1 1 1 20 4  33 o 30.46000       1.308000      761.9988      -33.6  
1 1 1 20 4  34 o 21.39000       1.300000      670.5430      -19.7  
1 1 1 20 4  35 o 13.19000       1.200000      604.9953      8.9    
1 1 1 20 4  36 o 26.82000       1.268000      544.4289      -14.8  
1 1 1 20 4  37 o 22.36000       1.227000      759.8930      -60.9  
1 1 1 20 4  38 o 7.743000       1.159000      143.8199      -21.8  
1 1 1 20 4  39 o 1.270000       1.257000      215.5135      -133.4 
1 1 1 20 4  40 o 33.64000       1.817000      913.1334      75.7   
1 1 1 20 4  41 o 2.394000       1.647000      218.0165      -72.9  
1 1 1 20 4  42 o 1.256000       1.321000      245.7144      -15.3  
1 1 1 20 4  43 o 19.10000       1.506000      659.8184      -99.4  
1 1 1 20 4  44 o 1.867000       1.454000      147.7838      -79.1  
1 1 1 20 4  45 o 2.574000       1.399000      138.8305      169.3  
1 1 1 20 4  46 o 3.167000       1.316000      246.7440      59.8   
1 1 1 20 4  47 o 0.6307000      1.227000      97.36662      -172.9 
1 1 1 20 4  48 o 1.271000       1.253000      135.4309      132.9  
1 1 1 20 4  49 o 7.138000       1.303000      243.2271      113.6  
1 1 1 20 4  50 o 6.991000       1.444000      292.1109      16.8   
1 1 1 20 4  51 o 0.4437000      1.473000      81.82501      -118.7 
1 1 1 20 4  52 o 17.95000       1.543000      729.5773      -60.7  
1 1 1 20 4  53 o 4.985000       1.523000      266.8228      -132.3 
1 1 1 20 4  54 o 2.949000       1.443000      150.7131      98.7   
1 1 1 20 4  55 o 8.962000       1.462000      469.5284      172.1  
1 1 1 20 4  56 o 1.205000       1.493000      ?             ?      
1 1 1 20 4  57 o 3.827000       1.646000      ?             ?      
1 1 1 20 4  58 o 0.2961000      1.530000      ?             ?      
1 1 1 20 4  59 o -0.6985000E-01 1.436000      ?             ?      
1 1 1 20 4  60 o 18.49000       1.737000      ?             ?      
1 1 1 20 4  61 o 0.4591000      1.619000      ?             ?      
1 1 1 20 4  62 o 0.5414000      1.477000      ?             ?      
1 1 1 20 4  63 o 2.980000       1.397000      ?             ?      
1 1 1 20 4  64 o 3.467000       1.304000      ?             ?      
1 1 1 20 4  65 o 5.649000       1.332000      ?             ?      
1 1 1 20 4  66 o 3.438000       1.309000      ?             ?      
1 1 1 20 4  67 o 3.292000       1.309000      ?             ?      
1 1 1 20 4  68 o 1.013000       1.320000      ?             ?      
1 1 1 20 4  69 o 0.6861000      1.329000      ?             ?      
1 1 1 20 4  70 o 0.4760000      1.356000      ?             ?      
1 1 1 20 4  71 o 3.854000       1.525000      ?             ?      
1 1 1 20 4  72 o -0.3764000     2.170000      ?             ?      
1 1 1 20 5  0  o 45.45000       1.962000      1451.891      -0.0   
1 1 1 20 5  1  o 31.04000       1.167000      1379.694      -144.1 
1 1 1 20 5  2  o 62.89000       1.633000      1061.787      142.1  
1 1 1 20 5  3  o 6.955000       0.6775000     774.2220      -73.1  
1 1 1 20 5  4  o 67.98000       1.603000      1337.951      116.9  
1 1 1 20 5  5  o 34.41000       1.101000      759.5927      -51.6  
1 1 1 20 5  6  o 111.0000       2.351000      1750.079      141.8  
1 1 1 20 5  7  o 31.85000       1.023000      1311.368      -155.4 
1 1 1 20 5  8  o 12.59000       0.7453000     384.7023      -74.3  
1 1 1 20 5  9  o 103.8000       2.156000      1708.177      -101.3 
1 1 1 20 5  10 o 53.82000       1.326000      1306.382      146.9  
1 1 1 20 5  11 o 74.02000       1.837000      1398.853      -72.3  
1 1 1 20 5  12 o 107.6000       2.572000      1427.233      130.4  
1 1 1 20 5  13 o 11.98000       0.8559000     423.0284      -20.3  
1 1 1 20 5  14 o 42.41000       1.532000      1096.206      -57.4  
1 1 1 20 5  15 o 12.66000       1.059000      445.6297      -110.7 
1 1 1 20 5  16 o 50.54000       1.902000      1154.124      128.3  
1 1 1 20 5  17 o 21.85000       1.410000      727.8862      127.4  
1 1 1 20 5  18 o 3.612000       1.180000      62.74516      -10.9  
1 1 1 20 5  19 o 23.88000       1.389000      910.5746      99.6   
1 1 1 20 5  20 o 45.63000       1.750000      1090.810      -144.7 
1 1 1 20 5  21 o 5.122000       1.393000      416.2995      160.9  
1 1 1 20 5  22 o 7.383000       1.537000      515.9913      -34.3  
1 1 1 20 5  23 o 6.174000       1.376000      447.5280      -41.5  
1 1 1 20 5  24 o 27.70000       1.422000      963.0812      63.5   
1 1 1 20 5  25 o 7.450000       1.105000      427.9910      -108.9 
1 1 1 20 5  26 o 45.21000       1.516000      1043.040      -108.3 
1 1 1 20 5  27 o 56.30000       1.669000      1022.973      -172.7 
1 1 1 20 5  28 o 63.65000       1.940000      1108.935      -57.5  
1 1 1 20 5  29 o 50.00000       1.700000      1046.949      -59.9  
1 1 1 20 5  30 o 3.519000       1.025000      186.1784      -108.0 
1 1 1 20 5  31 o 10.44000       1.154000      671.4467      70.8   
1 1 1 20 5  32 o 1.725000       1.109000      432.6065      -78.1  
1 1 1 20 5  33 o 21.10000       1.206000      733.1874      121.7  
1 1 1 20 5  34 o 4.953000       1.038000      278.2434      72.3   
1 1 1 20 5  35 o 6.780000       1.038000      187.1402      -135.1 
1 1 1 20 5  36 o 26.87000       1.359000      639.8479      155.8  
1 1 1 20 5  37 o 1.632000       1.043000      298.9882      -68.5  
1 1 1 20 5  38 o 4.562000       1.158000      324.8556      30.1   
1 1 1 20 5  39 o 19.66000       1.583000      774.4145      -88.7  
1 1 1 20 5  40 o -0.5225000     1.295000      290.7614      -112.3 
1 1 1 20 5  41 o 7.160000       1.287000      455.3088      80.4   
1 1 1 20 5  42 o 16.34000       1.269000      643.6487      40.5   
1 1 1 20 5  43 o 9.154000       1.311000      345.4390      -163.8 
1 1 1 20 5  44 o 9.955000       1.438000      586.3491      -41.2  
1 1 1 20 5  45 o 4.688000       1.708000      375.8415      164.8  
1 1 1 20 5  46 o -0.7074000     1.304000      156.6473      163.9  
1 1 1 20 5  47 o 1.484000       1.242000      249.1103      131.0  
1 1 1 20 5  48 o 15.37000       1.364000      527.1720      158.3  
1 1 1 20 5  49 o 2.355000       1.279000      210.2667      61.6   
1 1 1 20 5  50 o 0.8387000      1.316000      130.3589      -110.4 
1 1 1 20 5  51 o 10.80000       1.435000      530.2955      18.2   
1 1 1 20 5  52 o 8.070000       1.482000      379.0121      63.1   
1 1 1 20 5  53 o 15.34000       1.666000      522.1025      -153.8 
1 1 1 20 5  54 o 2.106000       1.445000      247.1648      -89.8  
1 1 1 20 5  55 o 6.139000       1.548000      430.4456      106.1  
1 1 1 20 5  56 o 1.707000       1.572000      ?             ?      
1 1 1 20 5  57 o 0.4014000      1.635000      ?             ?      
1 1 1 20 5  58 o 3.778000       1.513000      ?             ?      
1 1 1 20 5  59 o 0.2006000      1.402000      ?             ?      
1 1 1 20 5  60 o 2.961000       1.617000      ?             ?      
1 1 1 20 5  61 o 5.759000       1.616000      ?             ?      
1 1 1 20 5  62 o 3.166000       2.092000      ?             ?      
1 1 1 20 5  63 o 2.056000       1.503000      ?             ?      
1 1 1 20 5  64 o 1.064000       1.287000      ?             ?      
1 1 1 20 5  65 o 0.1098000      1.288000      ?             ?      
1 1 1 20 5  66 o -0.1597000     1.285000      ?             ?      
1 1 1 20 5  67 o 0.4594000      1.297000      ?             ?      
1 1 1 20 5  68 o 2.711000       1.322000      ?             ?      
1 1 1 20 5  69 o -0.7700000     1.318000      ?             ?      
1 1 1 20 5  70 o -0.6913000     1.345000      ?             ?      
1 1 1 20 5  71 o 1.828000       1.554000      ?             ?      
1 1 1 20 5  72 o 1.026000       3.887000      ?             ?      
1 1 1 20 6  0  o 12.85000       1.028000      329.7234      -180.0 
1 1 1 20 6  1  o 16.20000       0.8644000     1044.576      127.7  
1 1 1 20 6  2  o 3.797000       0.7113000     573.5746      -74.4  
1 1 1 20 6  3  o 11.74000       0.7146000     840.9236      150.8  
1 1 1 20 6  4  o 13.86000       0.7579000     809.8146      -114.8 
1 1 1 20 6  5  o 9.362000       0.7425000     580.6152      -92.4  
1 1 1 20 6  6  o -0.4509000     0.6901000     117.0926      -151.7 
1 1 1 20 6  7  o 0.7376000      0.6884000     350.7121      -137.9 
1 1 1 20 6  8  o 127.0000       2.795000      2012.079      -33.6  
1 1 1 20 6  9  o 23.34000       0.9038000     1093.476      -69.7  
1 1 1 20 6  10 o 62.81000       1.594000      1066.945      -24.7  
1 1 1 20 6  11 o 37.26000       1.397000      829.0948      -164.0 
1 1 1 20 6  12 o 7.102000       0.8081000     574.6414      -116.4 
1 1 1 20 6  13 o 21.91000       1.042000      793.4950      -61.0  
1 1 1 20 6  14 o 11.23000       0.9936000     720.5748      -44.8  
1 1 1 20 6  15 o 5.626000       0.9652000     496.4324      -26.5  
1 1 1 20 6  16 o 7.768000       1.179000      373.9621      76.0   
1 1 1 20 6  17 o 2.700000       1.037000      586.5482      -98.0  
1 1 1 20 6  18 o 47.85000       1.978000      1075.593      86.6   
1 1 1 20 6  19 o 21.12000       1.241000      1045.617      -80.5  
1 1 1 20 6  20 o 2.506000       1.183000      314.9564      104.5  
1 1 1 20 6  21 o 70.65000       2.399000      1404.228      -111.5 
1 1 1 20 6  22 o 45.37000       2.006000      1223.509      -94.2  
1 1 1 20 6  23 o 39.10000       1.718000      966.6298      -160.4 
1 1 1 20 6  24 o 27.75000       1.457000      1010.000      58.0   
1 1 1 20 6  25 o 7.398000       1.227000      461.9258      -89.2  
1 1 1 20 6  26 o 24.29000       1.364000      792.2722      -59.6  
1 1 1 20 6  27 o 17.48000       1.159000      702.5264      35.8   
1 1 1 20 6  28 o 6.174000       1.054000      688.5334      16.4   
1 1 1 20 6  29 o 11.52000       1.175000      465.0517      20.0   
1 1 1 20 6  30 o 10.95000       1.077000      334.3081      -0.9   
1 1 1 20 6  31 o 21.96000       1.176000      627.3597      -20.9  
1 1 1 20 6  32 o 4.859000       1.029000      229.2002      130.1  
1 1 1 20 6  33 o 15.68000       1.208000      682.6523      -11.9  
1 1 1 20 6  34 o 13.49000       1.187000      635.4940      24.5   
1 1 1 20 6  35 o 3.046000       1.018000      379.1843      -122.9 
1 1 1 20 6  36 o 18.98000       1.266000      665.9080      -55.0  
1 1 1 20 6  37 o 1.327000       1.111000      128.7413      -145.3 
1 1 1 20 6  38 o 8.387000       1.147000      289.1646      25.9   
1 1 1 20 6  39 o 12.47000       1.391000      587.2216      7.9    
1 1 1 20 6  40 o 1.997000       1.334000      276.1614      18.6   
1 1 1 20 6  41 o 4.421000       1.178000      387.6490      -68.6  
1 1 1 20 6  42 o 6.663000       1.150000      417.1934      -86.1  
1 1 1 20 6  43 o 11.64000       1.333000      471.4622      -126.6 
1 1 1 20 6  44 o 2.930000       1.377000      357.2719      -116.2 
1 1 1 20 6  45 o 11.47000       1.580000      542.5699      33.5   
1 1 1 20 6  46 o 8.723000       1.465000      314.4961      -90.9  
1 1 1 20 6  47 o 3.797000       1.330000      292.2666      -57.5  
1 1 1 20 6  48 o 2.904000       1.263000      175.0128      -9.8   
1 1 1 20 6  49 o 2.166000       1.290000      290.7403      -112.5 
1 1 1 20 6  50 o 15.67000       1.434000      605.7329      156.7  
1 1 1 20 6  51 o -0.2486000     1.368000      241.4848      -10.3  
1 1 1 20 6  52 o 5.640000       1.438000      315.4437      -26.1  
1 1 1 20 6  53 o 4.910000       1.433000      301.9925      139.1  
1 1 1 20 6  54 o 9.614000       1.484000      502.9522      -65.1  
1 1 1 20 6  55 o 2.367000       1.535000      248.4224      -44.9  
1 1 1 20 6  56 o 0.8299000      1.708000      ?             ?      
1 1 1 20 6  57 o -0.8482000     1.545000      ?             ?      
1 1 1 20 6  58 o 1.910000       1.516000      ?             ?      
1 1 1 20 6  59 o 0.9170000      1.302000      ?             ?      
1 1 1 20 6  60 o 0.9853000      1.432000      ?             ?      
1 1 1 20 6  61 o 2.684000       1.469000      ?             ?      
1 1 1 20 6  62 o 1.681000       1.635000      ?             ?      
1 1 1 20 6  63 o -0.1658000     1.606000      ?             ?      
1 1 1 20 6  64 o -0.4070000     1.470000      ?             ?      
1 1 1 20 6  65 o 1.054000       1.389000      ?             ?      
1 1 1 20 6  66 o -0.6515000     1.289000      ?             ?      
1 1 1 20 6  67 o 2.714000       1.310000      ?             ?      
1 1 1 20 6  68 o 0.5199000      1.303000      ?             ?      
1 1 1 20 6  69 o 0.7700000      1.310000      ?             ?      
1 1 1 20 6  70 o 1.430000       1.829000      ?             ?      
1 1 1 20 6  71 o 0.9325000      1.642000      ?             ?      
1 1 1 20 7  0  o 1.819000       0.9712000     35.42492      -180.0 
1 1 1 20 7  1  o 35.88000       1.606000      1273.780      -111.3 
1 1 1 20 7  2  o 32.29000       1.253000      945.2936      -80.4  
1 1 1 20 7  3  o 3.836000       0.6706000     233.7730      -45.3  
1 1 1 20 7  4  o 1.553000       0.6654000     213.4848      129.0  
1 1 1 20 7  5  o 21.41000       1.195000      1080.943      153.0  
1 1 1 20 7  6  o 17.19000       0.9219000     720.3130      165.4  
1 1 1 20 7  7  o 16.73000       0.8685000     682.1978      -55.9  
1 1 1 20 7  8  o 8.605000       0.8366000     368.3907      38.9   
1 1 1 20 7  9  o 9.334000       0.7633000     593.4390      -3.9   
1 1 1 20 7  10 o 3.000000       0.7375000     193.0409      -71.9  
1 1 1 20 7  11 o 10.51000       0.8801000     800.1701      -158.9 
1 1 1 20 7  12 o 11.03000       0.8630000     539.1315      -167.5 
1 1 1 20 7  13 o 25.79000       1.469000      986.2852      -5.8   
1 1 1 20 7  14 o 19.57000       1.100000      760.6767      -131.5 
1 1 1 20 7  15 o 6.982000       1.089000      439.6416      118.6  
1 1 1 20 7  16 o 51.20000       1.938000      1143.804      96.0   
1 1 1 20 7  17 o 11.30000       1.272000      479.1367      134.8  
1 1 1 20 7  18 o 18.50000       1.177000      976.0646      -28.8  
1 1 1 20 7  19 o 4.888000       1.079000      290.7888      -151.9 
1 1 1 20 7  20 o 31.58000       1.516000      923.6444      58.5   
1 1 1 20 7  21 o 22.96000       1.457000      977.2884      -12.3  
1 1 1 20 7  22 o 19.43000       1.481000      651.0286      -37.3  
1 1 1 20 7  23 o -2.168000      1.403000      166.7067      59.9   
1 1 1 20 7  24 o 14.57000       1.389000      638.2627      -76.8  
1 1 1 20 7  25 o 12.49000       1.252000      623.1870      -136.2 
1 1 1 20 7  26 o 2.041000       1.138000      274.9786      -136.0 
1 1 1 20 7  27 o 12.00000       1.173000      551.8839      38.6   
1 1 1 20 7  28 o 22.24000       1.168000      741.0274      -112.6 
1 1 1 20 7  29 o 0.6997000      0.9877000     143.4482      -142.5 
1 1 1 20 7  30 o 21.94000       1.184000      557.7030      108.0  
1 1 1 20 7  31 o 5.306000       1.109000      275.4770      -169.1 
1 1 1 20 7  32 o 6.488000       1.042000      492.2285      123.4  
1 1 1 20 7  33 o 2.337000       1.028000      347.5407      -133.4 
1 1 1 20 7  34 o 11.21000       1.174000      636.8616      56.1   
1 1 1 20 7  35 o 3.941000       1.011000      324.5868      -175.5 
1 1 1 20 7  36 o -0.8280000E-01 0.9950000     153.8174      149.4  
1 1 1 20 7  37 o 0.2231000      1.008000      177.0829      82.6   
1 1 1 20 7  38 o 0.6287000      1.148000      102.0227      10.6   
1 1 1 20 7  39 o 0.1008000      1.263000      53.93161      99.6   
1 1 1 20 7  40 o 11.95000       1.311000      501.6957      129.0  
1 1 1 20 7  41 o 2.719000       1.099000      285.7917      41.7   
1 1 1 20 7  42 o 7.901000       1.170000      380.7246      -9.7   
1 1 1 20 7  43 o 6.119000       1.279000      407.0590      -105.9 
1 1 1 20 7  44 o 0.4540000      1.289000      167.6438      31.2   
1 1 1 20 7  45 o 1.350000       1.338000      68.78175      1.4    
1 1 1 20 7  46 o 0.6088000      1.357000      91.07283      100.9  
1 1 1 20 7  47 o 0.2753000      1.346000      162.6081      176.4  
1 1 1 20 7  48 o 1.987000       1.269000      41.03750      156.2  
1 1 1 20 7  49 o 1.045000       1.294000      186.8515      -44.8  
1 1 1 20 7  50 o 0.2617000E-01  1.326000      215.3661      -76.2  
1 1 1 20 7  51 o 0.5996000      1.365000      147.9699      -142.6 
1 1 1 20 7  52 o 3.910000       1.422000      314.4489      100.7  
1 1 1 20 7  53 o 1.298000       1.413000      137.7092      -174.4 
1 1 1 20 7  54 f -0.4701000     1.405000      180.3890      61.0   
1 1 1 20 7  55 o 0.9815000      1.476000      208.0249      108.3  
1 1 1 20 7  56 o -1.532000      1.631000      ?             ?      
1 1 1 20 7  57 o 3.635000       1.612000      ?             ?      
1 1 1 20 7  58 o 4.144000       1.441000      ?             ?      
1 1 1 20 7  59 o 1.226000       1.308000      ?             ?      
1 1 1 20 7  60 o -1.042000      1.374000      ?             ?      
1 1 1 20 7  61 o 2.069000       1.457000      ?             ?      
1 1 1 20 7  62 o 0.7275000      1.416000      ?             ?      
1 1 1 20 7  63 o -0.3137000     1.573000      ?             ?      
1 1 1 20 7  64 o -0.8905000     1.522000      ?             ?      
1 1 1 20 7  65 o -1.450000      1.348000      ?             ?      
1 1 1 20 7  66 o -0.4998000     1.396000      ?             ?      
1 1 1 20 7  67 o 3.831000       1.431000      ?             ?      
1 1 1 20 7  68 o 1.308000       1.843000      ?             ?      
1 1 1 20 7  69 o 0.8128000      1.315000      ?             ?      
1 1 1 20 7  70 o 1.113000       1.423000      ?             ?      
1 1 1 20 7  71 o -1.045000      1.535000      ?             ?      
1 1 1 20 8  0  o 30.19000       1.600000      912.0223      -0.0   
1 1 1 20 8  1  o 5.358000       0.7025000     411.8466      -171.8 
1 1 1 20 8  2  o -1.073000      0.6899000     203.4816      -115.3 
1 1 1 20 8  3  o -1.380000      0.6849000     99.74838      -59.2  
1 1 1 20 8  4  o 14.01000       0.8645000     734.8528      -120.3 
1 1 1 20 8  5  o 1.946000       0.7254000     353.9243      -137.1 
1 1 1 20 8  6  o 1.284000       0.7137000     313.4540      86.5   
1 1 1 20 8  7  o 1.103000       0.7191000     188.3576      61.7   
1 1 1 20 8  8  o 22.10000       0.9079000     727.8646      -38.1  
1 1 1 20 8  9  o 9.123000       0.7743000     471.0399      -29.5  
1 1 1 20 8  10 o 2.454000       0.7654000     433.6817      102.0  
1 1 1 20 8  11 o 6.724000       0.8060000     281.7152      139.4  
1 1 1 20 8  12 o 25.48000       1.122000      866.5875      -76.3  
1 1 1 20 8  13 o 14.52000       1.063000      672.4158      -52.0  
1 1 1 20 8  14 o 4.371000       0.9670000     214.6830      78.1   
1 1 1 20 8  15 o 0.1700000      1.106000      78.71752      51.1   
1 1 1 20 8  16 o 4.909000       1.072000      351.6444      -139.3 
1 1 1 20 8  17 o 7.840000       1.106000      454.0297      -116.7 
1 1 1 20 8  18 o 0.2894000      0.9686000     85.62592      -177.1 
1 1 1 20 8  19 o 4.292000       1.096000      477.1765      140.4  
1 1 1 20 8  20 o 3.448000       1.195000      156.9220      143.8  
1 1 1 20 8  21 o 7.092000       1.687000      597.8730      -113.3 
1 1 1 20 8  22 o 1.702000       1.352000      305.0113      -83.6  
1 1 1 20 8  23 o 5.772000       1.285000      497.6856      107.5  
1 1 1 20 8  24 o 21.36000       1.476000      635.4583      16.3   
1 1 1 20 8  25 o 14.18000       1.338000      593.2447      -18.0  
1 1 1 20 8  26 o 9.701000       1.173000      637.9432      15.0   
1 1 1 20 8  27 o 4.176000       1.004000      163.3864      -0.9   
1 1 1 20 8  28 o 4.840000       1.079000      426.0763      -105.2 
1 1 1 20 8  29 o 6.346000       1.072000      298.0736      -31.4  
1 1 1 20 8  30 o 4.666000       1.008000      388.4356      -68.3  
1 1 1 20 8  31 o 1.839000       1.079000      116.3032      -130.8 
1 1 1 20 8  32 o -0.8711000     1.087000      214.2799      -48.8  
1 1 1 20 8  33 o 0.6054000      0.9847000     93.67054      87.2   
1 1 1 20 8  34 o 0.2986000      0.9731000     159.3253      98.0   
1 1 1 20 8  35 o 5.684000       1.019000      353.9883      -157.0 
1 1 1 20 8  36 o 0.5310000E-01  0.9912000     61.25106      -160.7 
1 1 1 20 8  37 o 4.081000       1.093000      268.7596      159.4  
1 1 1 20 8  38 o 0.7106000      1.242000      251.8829      -64.2  
1 1 1 20 8  39 o 0.2555000      1.278000      252.4396      62.7   
1 1 1 20 8  40 o 1.036000       1.145000      122.4057      -77.1  
1 1 1 20 8  41 o 1.248000       1.090000      73.00629      10.8   
1 1 1 20 8  42 o 5.682000       1.146000      343.4774      -56.8  
1 1 1 20 8  43 o 0.9621000      1.135000      110.7887      -68.4  
1 1 1 20 8  44 o 0.9678000      1.290000      142.3023      -54.5  
1 1 1 20 8  45 o 3.396000       1.427000      278.9515      23.2   
1 1 1 20 8  46 o -0.7730000E-01 1.518000      41.45658      21.0   
1 1 1 20 8  47 o -0.8451000     1.579000      121.6161      -25.9  
1 1 1 20 8  48 o 1.544000       1.376000      234.0521      -15.6  
1 1 1 20 8  49 o 0.8330000      1.283000      216.9319      -160.0 
1 1 1 20 8  50 o 0.2535000      1.336000      45.42503      -109.1 
1 1 1 20 8  51 o 0.7242000E-01  1.363000      166.9072      -11.3  
1 1 1 20 8  52 o 2.271000       1.394000      181.9612      -105.8 
1 1 1 20 8  53 o 2.432000       1.413000      166.1896      -164.1 
1 1 1 20 8  54 o 3.780000       1.439000      344.3123      -49.4  
1 1 1 20 8  55 o 0.4296000      1.540000      ?             ?      
1 1 1 20 8  56 o 0.1894000      1.571000      ?             ?      
1 1 1 20 8  57 o 2.301000       1.421000      ?             ?      
1 1 1 20 8  58 o -1.887000      1.303000      ?             ?      
1 1 1 20 8  59 o 0.9466000      1.392000      ?             ?      
1 1 1 20 8  60 o 1.471000       1.374000      ?             ?      
1 1 1 20 8  61 o 1.710000       1.421000      ?             ?      
1 1 1 20 8  62 o -0.4187000     1.679000      ?             ?      
1 1 1 20 8  63 o -1.348000      1.613000      ?             ?      
1 1 1 20 8  64 o 0.9566000      1.485000      ?             ?      
1 1 1 20 8  65 o 1.568000       1.392000      ?             ?      
1 1 1 20 8  66 o 1.669000       1.377000      ?             ?      
1 1 1 20 8  67 o -1.048000      1.372000      ?             ?      
1 1 1 20 8  68 o 4.122000       1.331000      ?             ?      
1 1 1 20 8  69 o 0.2399000      1.413000      ?             ?      
1 1 1 20 8  70 o 0.6719000      1.612000      ?             ?      
1 1 1 20 8  71 o 0.9456000      1.648000      ?             ?      
1 1 1 20 9  0  o 1.410000       0.9500000     53.67714      -180.0 
1 1 1 20 9  1  o 1.836000       1.049000      252.3439      -140.4 
1 1 1 20 9  2  o 0.4594000      0.8876000     496.1855      -17.0  
1 1 1 20 9  3  o 3.720000       0.9463000     346.6161      -53.4  
1 1 1 20 9  4  o 1.128000       0.8962000     136.2503      65.6   
1 1 1 20 9  5  o 5.099000       1.002000      566.0146      -166.4 
1 1 1 20 9  6  o 0.4580000      0.7338000     140.5866      -33.3  
1 1 1 20 9  7  o 2.780000       0.7641000     326.0235      50.9   
1 1 1 20 9  8  o -0.1517000     0.7748000     64.65147      108.8  
1 1 1 20 9  9  o -0.8966000     0.7477000     279.5331      -101.9 
1 1 1 20 9  10 o 0.7465000      0.7741000     220.7742      -157.5 
1 1 1 20 9  11 o 8.878000       0.8574000     392.0911      175.2  
1 1 1 20 9  12 o -0.9779000     0.9378000     24.23178      79.5   
1 1 1 20 9  13 o 3.748000       0.9932000     515.4930      -13.4  
1 1 1 20 9  14 o 0.5544000      1.061000      255.7621      158.2  
1 1 1 20 9  15 o 2.808000       1.059000      170.7158      70.7   
1 1 1 20 9  16 o 9.621000       1.093000      441.0096      40.6   
1 1 1 20 9  17 o 12.68000       1.104000      451.4713      -49.7  
1 1 1 20 9  18 o 11.79000       1.284000      337.6211      -48.6  
1 1 1 20 9  19 o -0.5409000     1.431000      162.7988      17.9   
1 1 1 20 9  20 o 8.430000       1.211000      301.3687      36.2   
1 1 1 20 9  21 o 8.434000       1.415000      324.8065      -62.2  
1 1 1 20 9  22 o 1.420000       1.274000      91.72057      -127.2 
1 1 1 20 9  23 o 0.9822000      1.281000      264.7356      104.6  
1 1 1 20 9  24 o 21.43000       1.320000      456.2396      -147.5 
1 1 1 20 9  25 o -1.966000      1.238000      101.7530      139.3  
1 1 1 20 9  26 o 0.2518000      1.202000      201.1334      -61.3  
1 1 1 20 9  27 o 4.566000       1.188000      333.5495      61.2   
1 1 1 20 9  28 o -0.1571000     0.9807000     279.8961      -100.8 
1 1 1 20 9  29 o 1.968000       1.048000      259.7889      -32.6  
1 1 1 20 9  30 o -1.780000      0.9705000     53.67894      141.5  
1 1 1 20 9  31 o 1.898000       0.9820000     122.9171      -93.7  
1 1 1 20 9  32 o 1.870000       0.9967000     372.8034      159.8  
1 1 1 20 9  33 o 0.4970000      0.9720000     59.33276      -75.9  
1 1 1 20 9  34 o 1.623000       0.9778000     288.4085      81.5   
1 1 1 20 9  35 o -0.4082000     0.9826000     215.0046      -135.4 
1 1 1 20 9  36 o 0.1918000      0.9938000     177.1804      -7.1   
1 1 1 20 9  37 o 0.7009000      1.116000      170.7750      -140.6 
1 1 1 20 9  38 o 0.7180000      1.335000      177.0693      -165.3 
1 1 1 20 9  39 o 2.110000       1.180000      154.7200      83.1   
1 1 1 20 9  40 o 1.834000       1.081000      100.9799      145.2  
1 1 1 20 9  41 o 1.444000       1.093000      242.1349      63.9   
1 1 1 20 9  42 o 1.792000       1.116000      140.8328      66.0   
1 1 1 20 9  43 o -1.563000      1.127000      76.31985      -174.3 
1 1 1 20 9  44 o 0.3212000      1.277000      129.4164      1.2    
1 1 1 20 9  45 o 2.546000       1.403000      137.7673      -137.6 
1 1 1 20 9  46 o 0.4578000      1.334000      112.3890      115.9  
1 1 1 20 9  47 o 5.587000       1.413000      222.6472      80.4   
1 1 1 20 9  48 o 1.007000       1.392000      115.5316      -62.3  
1 1 1 20 9  49 o -0.1471000     1.331000      181.9451      6.0    
1 1 1 20 9  50 o 1.607000       1.348000      213.9249      -137.8 
1 1 1 20 9  51 o 1.053000       1.377000      133.2935      48.0   
1 1 1 20 9  52 o -0.1565000     1.386000      216.4289      89.5   
1 1 1 20 9  53 o 0.5796000      1.403000      169.6526      -71.0  
1 1 1 20 9  54 o 1.447000       1.496000      140.7036      -174.3 
1 1 1 20 9  55 o 2.141000       1.692000      ?             ?      
1 1 1 20 9  56 o -0.5040000     1.604000      ?             ?      
1 1 1 20 9  57 o 2.391000       1.416000      ?             ?      
1 1 1 20 9  58 o 3.450000       1.311000      ?             ?      
1 1 1 20 9  59 o 0.6147000      1.301000      ?             ?      
1 1 1 20 9  60 o 1.966000       1.294000      ?             ?      
1 1 1 20 9  61 o 1.197000       1.283000      ?             ?      
1 1 1 20 9  62 o -0.4271000     1.498000      ?             ?      
1 1 1 20 9  63 o -1.607000      1.396000      ?             ?      
1 1 1 20 9  64 o 0.4471000      1.458000      ?             ?      
1 1 1 20 9  65 o 0.6210000      1.513000      ?             ?      
1 1 1 20 9  66 o 2.388000       1.295000      ?             ?      
1 1 1 20 9  67 o -0.5641000     1.291000      ?             ?      
1 1 1 20 9  68 o 0.4452000      1.305000      ?             ?      
1 1 1 20 9  69 o -0.8077000     1.478000      ?             ?      
1 1 1 20 9  70 o -0.4985000     1.525000      ?             ?      
1 1 1 20 9  71 o 0.2921000      1.712000      ?             ?      
1 1 1 20 10 0  o 0.1548000      0.9361000     174.1513      180.0  
1 1 1 20 10 1  o -1.628000      0.6712000     58.96450      -88.1  
1 1 1 20 10 2  o 2.148000       0.7233000     97.45728      25.9   
1 1 1 20 10 3  o -0.2295000     0.7459000     247.6709      -25.2  
1 1 1 20 10 4  o -1.676000      0.7353000     214.6229      -35.9  
1 1 1 20 10 5  o -0.1677000E-01 0.7307000     92.53454      173.9  
1 1 1 20 10 6  o 0.2788000E-03  0.8627000     104.1723      -52.7  
1 1 1 20 10 7  o 0.9615000      0.7726000     240.1774      108.4  
1 1 1 20 10 8  o -1.412000      0.7955000     165.3828      12.0   
1 1 1 20 10 9  o -0.4580000     0.8492000     222.5044      -22.7  
1 1 1 20 10 10 o 3.102000       0.8103000     363.6048      161.9  
1 1 1 20 10 11 o 0.4189000      0.9431000     199.9271      13.3   
1 1 1 20 10 12 o 1.187000       0.9680000     257.9009      -59.3  
1 1 1 20 10 13 o -0.7687000     1.045000      118.9492      -110.6 
1 1 1 20 10 14 o 0.2861000      1.192000      406.2751      80.4   
1 1 1 20 10 15 o -0.3295000     1.341000      216.7010      81.3   
1 1 1 20 10 16 o 2.952000       1.354000      22.60338      -162.0 
1 1 1 20 10 17 o 2.366000       1.039000      266.6282      111.8  
1 1 1 20 10 18 o 1.839000       1.051000      22.80599      111.4  
1 1 1 20 10 19 o 0.8030000E-01  1.192000      74.61858      156.5  
1 1 1 20 10 20 o 4.622000       1.149000      342.2220      -118.6 
1 1 1 20 10 21 o 0.5554000      1.170000      130.6201      -173.1 
1 1 1 20 10 22 o 0.8262000      1.165000      32.06271      145.7  
1 1 1 20 10 23 o 0.3854000      1.102000      134.9181      -74.0  
1 1 1 20 10 24 o 2.133000       1.291000      145.3248      61.4   
1 1 1 20 10 25 o 6.181000       1.269000      524.3828      16.7   
1 1 1 20 10 26 o 1.777000       1.424000      16.16171      145.8  
1 1 1 20 10 27 o 1.827000       1.337000      195.8529      -76.1  
1 1 1 20 10 28 o -0.6175000     0.9633000     150.6010      140.2  
1 1 1 20 10 29 o -0.2451000     0.9532000     175.6396      -28.9  
1 1 1 20 10 30 o 0.1123000      0.9585000     115.5939      -134.7 
1 1 1 20 10 31 o 0.2271000      0.9630000     137.3405      -92.8  
1 1 1 20 10 32 o 0.7240000      0.9647000     90.87126      6.8    
1 1 1 20 10 33 o 1.564000       0.9687000     104.0503      -145.7 
1 1 1 20 10 34 o -0.4420000     0.9685000     108.8873      -140.3 
1 1 1 20 10 35 o 1.904000       0.9786000     114.2055      -66.5  
1 1 1 20 10 36 o 1.404000       1.046000      51.83792      -159.9 
1 1 1 20 10 37 o 0.9619000      1.109000      178.6665      -158.7 
1 1 1 20 10 38 o 1.179000       1.230000      150.9083      -34.4  
1 1 1 20 10 39 o -0.9426000     1.119000      34.72363      89.0   
1 1 1 20 10 40 o -0.6481000     1.077000      65.33621      163.6  
1 1 1 20 10 41 o -0.6117000     1.100000      152.0826      22.6   
1 1 1 20 10 42 o 1.293000       1.114000      133.0025      -50.0  
1 1 1 20 10 43 o -0.2916000     1.124000      42.03595      -146.8 
1 1 1 20 10 44 o -0.3656000     1.161000      70.15035      28.7   
1 1 1 20 10 45 o 1.068000       1.302000      39.94827      -89.6  
1 1 1 20 10 46 o -0.7598000     1.322000      40.99210      -146.5 
1 1 1 20 10 47 o -0.6836000     1.617000      147.7104      -46.0  
1 1 1 20 10 48 o 1.486000       1.514000      63.98720      89.4   
1 1 1 20 10 49 o 3.283000       1.424000      108.4513      -165.5 
1 1 1 20 10 50 o -2.330000      1.352000      93.84628      -71.7  
1 1 1 20 10 51 o 2.968000       1.393000      148.0193      -57.5  
1 1 1 20 10 52 o 1.775000       1.379000      107.4391      -56.2  
1 1 1 20 10 53 o 1.671000       1.389000      182.0224      -113.0 
1 1 1 20 10 54 o -0.9553000     1.555000      89.81069      41.8   
1 1 1 20 10 55 o 1.344000       1.587000      ?             ?      
1 1 1 20 10 56 o -1.578000      1.461000      ?             ?      
1 1 1 20 10 57 o 1.600000       1.297000      ?             ?      
1 1 1 20 10 58 o -0.9796000E-01 1.291000      ?             ?      
1 1 1 20 10 59 o 2.732000       1.288000      ?             ?      
1 1 1 20 10 60 o -1.529000      1.277000      ?             ?      
1 1 1 20 10 61 o 1.163000       1.286000      ?             ?      
1 1 1 20 10 62 o 2.124000       1.403000      ?             ?      
1 1 1 20 10 63 o 0.3348000      1.526000      ?             ?      
1 1 1 20 10 64 o -2.853000      2.023000      ?             ?      
1 1 1 20 10 65 o -0.2791000     1.671000      ?             ?      
1 1 1 20 10 66 o 2.012000       1.522000      ?             ?      
1 1 1 20 10 67 o 3.143000       1.356000      ?             ?      
1 1 1 20 10 68 o -0.9248000E-02 1.403000      ?             ?      
1 1 1 20 10 69 o 1.137000       1.493000      ?             ?      
1 1 1 20 10 70 o 1.843000       1.616000      ?             ?      
1 1 1 20 10 71 o 0.7050000      1.531000      ?             ?      
1 1 1 20 11 0  o 0.9401000      0.9657000     107.8289      180.0  
1 1 1 20 11 1  o 0.5079000      0.6876000     127.9759      72.2   
1 1 1 20 11 3  o -0.8449000     0.7603000     121.7284      147.7  
1 1 1 20 11 4  o -2.891000      0.7778000     ?             ?      
1 1 1 20 11 5  o 1.614000       0.8543000     29.57288      121.1  
1 1 1 20 11 6  o -0.4212000     0.8561000     146.1427      41.5   
1 1 1 20 11 7  o -1.209000      1.350000      85.58862      -9.4   
1 1 1 20 11 8  o -1.107000      0.8386000     194.3033      88.5   
1 1 1 20 11 9  o -1.663000      0.8684000     113.9602      13.8   
1 1 1 20 11 10 o 1.073000       0.8303000     218.1208      142.8  
1 1 1 20 11 11 o -1.073000      0.9877000     199.1027      -111.4 
1 1 1 20 11 12 o 1.753000       1.046000      174.3341      -33.3  
1 1 1 20 11 13 o 1.006000       1.427000      95.73761      142.7  
1 1 1 20 11 14 o 1.664000       1.387000      66.48280      -117.0 
1 1 1 20 11 15 o 0.1215000      1.124000      249.7668      -38.3  
1 1 1 20 11 16 o 0.3004000      1.159000      106.0619      118.0  
1 1 1 20 11 17 o 0.5623000      1.141000      150.3585      90.7   
1 1 1 20 11 18 o -0.9939000     1.032000      101.3595      104.3  
1 1 1 20 11 19 o -1.204000      1.043000      79.43121      -109.1 
1 1 1 20 11 20 o 1.305000       1.104000      132.1781      48.9   
1 1 1 20 11 21 o 0.1925000      1.136000      41.87115      111.8  
1 1 1 20 11 22 o -0.3407000     1.166000      305.0393      -1.8   
1 1 1 20 11 23 o 1.013000       1.161000      83.67068      -44.7  
1 1 1 20 11 24 o 0.1725000      1.336000      152.6535      91.6   
1 1 1 20 11 25 o -0.4037000     1.087000      127.3316      -141.8 
1 1 1 20 11 26 o 0.9415000E-01  1.207000      92.19610      8.4    
1 1 1 20 11 27 o -0.6638000E-01 1.085000      191.6140      162.8  
1 1 1 20 11 28 o -1.200000      1.065000      95.19259      27.2   
1 1 1 20 11 29 o 1.641000       0.9648000     175.3135      -58.0  
1 1 1 20 11 30 o 0.1629000      0.9638000     57.23709      69.6   
1 1 1 20 11 31 o 2.195000       0.9686000     136.1557      65.5   
1 1 1 20 11 32 o 0.9105000E-02  0.9599000     122.4198      35.8   
1 1 1 20 11 33 o 0.6975000E-01  0.9678000     79.40623      -30.5  
1 1 1 20 11 34 o -0.1722000     0.9840000     109.3217      -16.6  
1 1 1 20 11 35 o 1.378000       0.9845000     54.99036      40.9   
1 1 1 20 11 36 o -0.3977000     1.078000      50.83844      -103.7 
1 1 1 20 11 37 o 1.234000       1.252000      76.42875      -152.0 
1 1 1 20 11 38 o 1.453000       1.149000      143.1116      -138.0 
1 1 1 20 11 39 o 3.537000       1.067000      133.8515      98.8   
1 1 1 20 11 40 o 2.917000       1.097000      278.8646      162.0  
1 1 1 20 11 41 o 0.1522000      1.098000      94.03518      129.9  
1 1 1 20 11 42 o 1.573000       1.121000      97.49714      106.8  
1 1 1 20 11 43 o 1.172000       1.141000      103.0724      -40.1  
1 1 1 20 11 44 o 0.8705000      1.162000      115.7329      -68.2  
1 1 1 20 11 45 o 3.101000       1.314000      117.2920      -41.9  
1 1 1 20 11 46 o 0.2111000      1.439000      97.52910      68.7   
1 1 1 20 11 47 o 0.5197000      1.386000      45.63183      -71.6  
1 1 1 20 11 48 o -0.4406000     1.440000      137.6579      -15.8  
1 1 1 20 11 49 o 0.4923000E-01  1.457000      164.1539      109.7  
1 1 1 20 11 50 o -2.619000      1.368000      49.96180      -57.7  
1 1 1 20 11 51 o -0.4620000     1.396000      179.6432      38.4   
1 1 1 20 11 52 o 3.159000       1.382000      50.00295      59.5   
1 1 1 20 11 53 o 0.5105000      1.455000      58.24388      -84.3  
1 1 1 20 11 54 o 2.244000       1.548000      105.6275      42.0   
1 1 1 20 11 55 o 2.709000       1.626000      ?             ?      
1 1 1 20 11 56 o 0.2509000      1.376000      ?             ?      
1 1 1 20 11 57 o 0.3936000      1.293000      ?             ?      
1 1 1 20 11 58 o 1.325000       1.305000      ?             ?      
1 1 1 20 11 59 o 0.1567000      1.272000      ?             ?      
1 1 1 20 11 60 o -0.2523000     1.272000      ?             ?      
1 1 1 20 11 61 o -2.602000      1.244000      ?             ?      
1 1 1 20 11 62 o 0.6650000E-01  1.385000      ?             ?      
1 1 1 20 11 63 o 0.7820000      1.431000      ?             ?      
1 1 1 20 11 64 o 1.110000       1.563000      ?             ?      
1 1 1 20 11 65 o 0.9045000      1.412000      ?             ?      
1 1 1 20 11 66 o 1.817000       1.493000      ?             ?      
1 1 1 20 11 67 o -1.819000      1.370000      ?             ?      
1 1 1 20 11 68 o 0.9245000      1.483000      ?             ?      
1 1 1 20 11 69 o 0.4828000      1.530000      ?             ?      
1 1 1 20 11 70 o 0.6014000      1.496000      ?             ?      
1 1 1 20 11 71 o -0.1771000     1.538000      ?             ?      
1 1 1 20 12 0  o 3.059000       1.035000      87.24058      0.0    
1 1 1 20 12 1  o -1.005000      0.7137000     28.45440      92.6   
1 1 1 20 12 2  o -0.9899000     0.7232000     293.2089      -14.5  
1 1 1 20 12 3  o -1.257000      0.7842000     270.0370      91.2   
1 1 1 20 12 4  o -2.661000      0.8916000     250.8151      -27.2  
1 1 1 20 12 5  o -1.120000      0.8105000     44.20322      44.3   
1 1 1 20 12 6  o -1.673000      0.8159000     81.83192      128.6  
1 1 1 20 12 7  o 0.3710000      0.8457000     333.5722      131.9  
1 1 1 20 12 8  o -0.5291000     0.8811000     267.6347      57.8   
1 1 1 20 12 9  o 0.8256000      0.9281000     108.2532      163.7  
1 1 1 20 12 10 o 0.6322000      1.334000      146.8228      -106.9 
1 1 1 20 12 11 o 3.159000       1.280000      264.7777      25.1   
1 1 1 20 12 12 o 2.618000       1.182000      256.7118      0.5    
1 1 1 20 12 13 o 3.239000       1.551000      189.4458      57.5   
1 1 1 20 12 14 o 9.960000       1.523000      514.6581      118.0  
1 1 1 20 12 15 o 0.2253000      1.079000      237.8110      3.3    
1 1 1 20 12 16 o 5.418000       1.047000      193.6835      -138.0 
1 1 1 20 12 17 o 0.8996000      1.013000      187.4096      128.2  
1 1 1 20 12 18 o 0.7742000      1.098000      184.1510      57.3   
1 1 1 20 12 19 o -0.3813000     1.105000      109.5809      -139.0 
1 1 1 20 12 20 o 4.410000       1.102000      289.2993      52.7   
1 1 1 20 12 21 o 3.193000       1.074000      362.5045      75.4   
1 1 1 20 12 22 o 2.311000       1.151000      95.44269      -129.2 
1 1 1 20 12 23 o -2.721000      1.106000      214.1711      -170.0 
1 1 1 20 12 24 o 2.825000       1.102000      340.6396      77.4   
1 1 1 20 12 25 o 1.234000       1.091000      56.84132      47.4   
1 1 1 20 12 26 o 3.295000       1.092000      273.9373      -125.1 
1 1 1 20 12 27 o -1.640000      1.162000      118.7179      77.6   
1 1 1 20 12 28 o 2.496000       1.218000      232.7286      52.9   
1 1 1 20 12 29 o 0.5962000      0.9718000     179.6819      49.6   
1 1 1 20 12 30 o 2.350000       0.9613000     150.6005      -153.4 
1 1 1 20 12 31 o 0.6529000      0.9566000     215.3786      21.6   
1 1 1 20 12 32 o 1.973000       0.9660000     92.64309      -78.0  
1 1 1 20 12 33 o -1.079000      0.9667000     72.99771      -123.7 
1 1 1 20 12 34 o 1.275000       0.9846000     147.8956      -76.8  
1 1 1 20 12 35 o -0.7203000     1.001000      171.8571      84.2   
1 1 1 20 12 36 o 6.966000       1.178000      422.2632      -136.1 
1 1 1 20 12 37 o 1.553000       1.165000      210.4616      115.0  
1 1 1 20 12 38 o 2.382000       1.166000      95.11260      41.7   
1 1 1 20 12 39 o 2.549000       1.090000      180.6745      -41.3  
1 1 1 20 12 40 o 1.614000       1.082000      174.6322      37.4   
1 1 1 20 12 41 o 0.6928000      1.087000      159.5091      -145.2 
1 1 1 20 12 42 o -0.3646000     1.123000      52.39569      -109.1 
1 1 1 20 12 43 o 1.729000       1.144000      85.65108      118.7  
1 1 1 20 12 44 o -0.3070000     1.173000      55.82943      49.3   
1 1 1 20 12 45 o 4.579000       1.347000      206.6610      49.6   
1 1 1 20 12 46 o 0.6631000      1.372000      84.48313      176.3  
1 1 1 20 12 47 o -0.7856000     1.380000      86.16478      101.6  
1 1 1 20 12 48 o 1.252000       1.474000      121.8108      -95.1  
1 1 1 20 12 49 o 1.296000       1.579000      104.2360      159.5  
1 1 1 20 12 50 o 3.733000       1.478000      205.8277      -108.0 
1 1 1 20 12 51 o 2.393000       1.397000      198.3730      76.8   
1 1 1 20 12 52 o -0.6004000     1.369000      54.24807      -82.3  
1 1 1 20 12 53 o 0.9667000      1.533000      129.4229      141.9  
1 1 1 20 12 54 o 0.9416000      1.656000      ?             ?      
1 1 1 20 12 55 o 2.728000       1.525000      ?             ?      
1 1 1 20 12 56 o 0.6357000E-01  1.287000      ?             ?      
1 1 1 20 12 57 o -0.9755000E-01 1.284000      ?             ?      
1 1 1 20 12 58 o 2.093000       1.294000      ?             ?      
1 1 1 20 12 59 o 1.329000       1.261000      ?             ?      
1 1 1 20 12 60 o 0.5028000      1.254000      ?             ?      
1 1 1 20 12 61 f -0.8743000     1.249000      ?             ?      
1 1 1 20 12 62 o -0.9616000     1.253000      ?             ?      
1 1 1 20 12 63 o 1.022000       1.425000      ?             ?      
1 1 1 20 12 64 o 1.981000       1.402000      ?             ?      
1 1 1 20 12 65 o -0.8706000     1.596000      ?             ?      
1 1 1 20 12 66 o 0.5573000      1.478000      ?             ?      
1 1 1 20 12 67 o 0.6162000      1.390000      ?             ?      
1 1 1 20 12 68 o 3.279000       1.504000      ?             ?      
1 1 1 20 12 69 o 3.528000       1.625000      ?             ?      
1 1 1 20 12 70 o 1.841000       1.458000      ?             ?      
1 1 1 20 13 0  o 4.453000       1.124000      447.4566      -180.0 
1 1 1 20 13 1  o 7.330000       0.8466000     544.7179      -34.0  
1 1 1 20 13 2  o 1.526000       0.7676000     373.9543      -14.8  
1 1 1 20 13 3  o 1.915000       0.7925000     250.8339      -178.1 
1 1 1 20 13 4  o -0.8335000     0.8004000     130.8026      -76.9  
1 1 1 20 13 5  o -0.2392000     0.8340000     159.5057      112.5  
1 1 1 20 13 6  o 2.321000       0.8781000     269.2705      -51.0  
1 1 1 20 13 7  o 3.418000       0.9377000     503.5958      127.7  
1 1 1 20 13 8  o -0.3137000     0.9198000     297.5868      -129.8 
1 1 1 20 13 9  o 0.8848000      1.146000      139.1685      110.4  
1 1 1 20 13 10 o 4.012000       1.286000      298.3744      177.2  
1 1 1 20 13 11 o 14.19000       1.537000      561.4280      127.9  
1 1 1 20 13 12 o 19.76000       1.737000      832.1067      -145.9 
1 1 1 20 13 13 o 9.884000       1.247000      559.4946      -125.2 
1 1 1 20 13 14 o 2.367000       1.131000      229.8584      -96.0  
1 1 1 20 13 15 o -0.7391000     1.100000      185.4679      175.4  
1 1 1 20 13 16 o 1.919000       1.087000      186.6362      155.4  
1 1 1 20 13 17 o 3.841000       1.045000      153.7697      135.1  
1 1 1 20 13 18 o 3.591000       1.105000      312.7960      -42.6  
1 1 1 20 13 19 o 18.91000       1.239000      779.5794      179.8  
1 1 1 20 13 20 o -0.6356000     1.042000      113.9132      174.4  
1 1 1 20 13 21 o 2.805000       1.049000      293.0932      -153.8 
1 1 1 20 13 22 o 7.467000       1.179000      371.3442      -127.7 
1 1 1 20 13 23 o 10.75000       1.228000      534.4735      -173.9 
1 1 1 20 13 24 o 5.593000       1.094000      184.5075      20.3   
1 1 1 20 13 25 o 9.020000       1.303000      521.4573      -37.9  
1 1 1 20 13 26 o -1.232000      1.056000      189.1630      -45.7  
1 1 1 20 13 27 o 1.113000       1.150000      68.58811      -30.2  
1 1 1 20 13 28 o 0.5510000      1.092000      138.8681      125.6  
1 1 1 20 13 29 o 2.624000       1.133000      314.5035      -4.8   
1 1 1 20 13 30 o -0.6704000     0.9628000     138.3558      133.2  
1 1 1 20 13 31 o 4.510000       1.030000      348.2343      105.3  
1 1 1 20 13 32 o 1.187000       0.9597000     43.09524      -138.4 
1 1 1 20 13 33 o 2.147000       0.9709000     179.3798      35.2   
1 1 1 20 13 34 o -0.4097000     0.9766000     77.92979      -165.8 
1 1 1 20 13 35 o 2.571000       1.111000      104.5412      24.4   
1 1 1 20 13 36 o 7.516000       1.337000      481.3941      128.6  
1 1 1 20 13 37 o -1.630000      1.138000      208.1851      -4.0   
1 1 1 20 13 38 o 5.791000       1.112000      478.3333      141.7  
1 1 1 20 13 39 o 0.5134000      1.064000      134.4052      4.0    
1 1 1 20 13 40 o 3.301000       1.097000      249.3367      78.8   
1 1 1 20 13 41 o -1.157000      1.083000      66.46196      -31.7  
1 1 1 20 13 42 o 4.464000       1.161000      267.2563      -154.1 
1 1 1 20 13 43 o 0.5805000      1.148000      115.4480      -90.7  
1 1 1 20 13 44 o -1.334000      1.166000      86.11950      -170.8 
1 1 1 20 13 45 o 0.8758000      1.230000      117.5641      179.1  
1 1 1 20 13 46 o 2.912000       1.388000      168.5175      -150.6 
1 1 1 20 13 47 o 1.646000       1.509000      134.8011      -56.1  
1 1 1 20 13 48 o 0.6557000      1.444000      57.38936      -71.7  
1 1 1 20 13 49 o 0.1730000E-01  1.488000      57.08154      140.9  
1 1 1 20 13 50 o -0.4983000     1.496000      275.1046      102.0  
1 1 1 20 13 51 o -0.1179000     1.403000      82.47768      -11.7  
1 1 1 20 13 52 o 2.512000       1.398000      89.96835      -79.4  
1 1 1 20 13 53 o 1.911000       1.538000      184.8227      75.6   
1 1 1 20 13 54 o -1.610000      1.548000      ?             ?      
1 1 1 20 13 55 o 0.2136000E-01  1.392000      ?             ?      
1 1 1 20 13 56 o 1.776000       1.281000      ?             ?      
1 1 1 20 13 57 o 1.039000       1.277000      ?             ?      
1 1 1 20 13 58 o -0.4824000E-02 1.255000      ?             ?      
1 1 1 20 13 59 o -0.1360000E-01 1.244000      ?             ?      
1 1 1 20 13 60 o -0.6184000     1.244000      ?             ?      
1 1 1 20 13 61 o 0.7806000E-01  1.244000      ?             ?      
1 1 1 20 13 62 o 1.283000       1.261000      ?             ?      
1 1 1 20 13 63 o 0.5735000      1.416000      ?             ?      
1 1 1 20 13 64 o -0.4713000     1.527000      ?             ?      
1 1 1 20 13 65 o 1.660000       1.585000      ?             ?      
1 1 1 20 13 66 o -0.7816000     1.389000      ?             ?      
1 1 1 20 13 67 o 1.891000       1.481000      ?             ?      
1 1 1 20 13 68 o -0.4975000E-01 1.578000      ?             ?      
1 1 1 20 13 69 o 2.847000       1.513000      ?             ?      
1 1 1 20 13 70 o -0.3296000     1.363000      ?             ?      
1 1 1 20 14 0  o 90.90000       3.485000      1753.854      -0.0   
1 1 1 20 14 1  o 14.81000       0.9233000     568.3631      152.0  
1 1 1 20 14 2  o 21.03000       1.139000      608.3669      16.7   
1 1 1 20 14 3  o -0.3826000     0.8622000     110.9207      143.0  
1 1 1 20 14 4  o 0.6814000      0.8848000     203.0085      142.2  
1 1 1 20 14 5  o 15.69000       1.069000      582.2135      84.6   
1 1 1 20 14 6  o 0.7218000E-01  0.9000000     373.9877      76.3   
1 1 1 20 14 7  o 2.217000       0.9783000     300.4540      45.9   
1 1 1 20 14 8  o 14.68000       1.507000      554.1124      7.3    
1 1 1 20 14 9  o 7.289000       1.366000      341.4200      -129.2 
1 1 1 20 14 10 o 8.964000       1.356000      453.9273      -99.6  
1 1 1 20 14 11 o 18.05000       1.980000      608.7386      9.2    
1 1 1 20 14 12 o 12.16000       1.328000      733.6701      -81.2  
1 1 1 20 14 13 o 10.33000       1.345000      471.6332      -98.8  
1 1 1 20 14 14 o 11.39000       1.222000      428.8766      -161.7 
1 1 1 20 14 15 o 6.718000       1.128000      531.9593      -0.2   
1 1 1 20 14 16 o 5.523000       1.102000      502.5076      -34.4  
1 1 1 20 14 17 o 12.93000       1.207000      680.0226      39.7   
1 1 1 20 14 18 o 6.108000       1.040000      466.5556      -132.3 
1 1 1 20 14 19 o 7.760000       1.057000      232.5980      -55.0  
1 1 1 20 14 20 o 1.231000       1.045000      217.8471      42.2   
1 1 1 20 14 21 o 6.280000       1.060000      169.4213      141.0  
1 1 1 20 14 22 o 14.85000       1.177000      529.7566      -86.2  
1 1 1 20 14 23 o -0.6222000     1.115000      175.7185      26.8   
1 1 1 20 14 24 o 17.48000       1.156000      712.7495      72.7   
1 1 1 20 14 25 o 4.130000       1.083000      314.6520      21.9   
1 1 1 20 14 26 o 0.3666000      1.057000      113.4159      26.1   
1 1 1 20 14 27 o 1.744000       1.055000      137.6490      87.0   
1 1 1 20 14 28 o 1.776000       1.206000      315.0384      142.4  
1 1 1 20 14 29 o 0.8497000      1.137000      149.5365      -128.7 
1 1 1 20 14 30 o 1.514000       1.005000      418.5074      -167.0 
1 1 1 20 14 31 o 4.156000       0.9802000     241.8657      119.1  
1 1 1 20 14 32 o 1.436000       0.9713000     230.2892      129.4  
1 1 1 20 14 33 o 2.604000       0.9914000     340.8389      -50.9  
1 1 1 20 14 34 o 0.1149000      0.9839000     78.91306      -136.4 
1 1 1 20 14 35 o 2.413000       1.110000      293.6463      -175.6 
1 1 1 20 14 36 o 11.38000       1.259000      495.4637      -156.1 
1 1 1 20 14 37 o 0.4867000      1.150000      218.0315      -164.7 
1 1 1 20 14 38 o 0.7833000      1.043000      186.4983      -12.8  
1 1 1 20 14 39 o -0.7223000     1.061000      32.23745      -70.9  
1 1 1 20 14 40 o 7.524000       1.121000      422.6144      59.6   
1 1 1 20 14 41 o 0.7999000      1.097000      128.2944      163.4  
1 1 1 20 14 42 o 1.231000       1.142000      247.7879      -13.6  
1 1 1 20 14 43 o -0.1845000     1.148000      122.4118      121.9  
1 1 1 20 14 44 o 2.505000       1.186000      130.7234      -44.6  
1 1 1 20 14 45 o 2.534000       1.242000      149.9861      8.4    
1 1 1 20 14 46 o 2.307000       1.379000      174.1584      -145.8 
1 1 1 20 14 47 o 1.031000       1.513000      123.1759      47.0   
1 1 1 20 14 48 o 7.150000       1.494000      395.7576      -133.6 
1 1 1 20 14 49 o 1.505000       1.509000      131.0946      131.1  
1 1 1 20 14 50 o -2.438000      1.614000      39.25036      -109.7 
1 1 1 20 14 51 o 3.294000       1.497000      277.8370      73.8   
1 1 1 20 14 52 o 2.414000       1.552000      184.1886      163.9  
1 1 1 20 14 53 o 3.288000       1.677000      314.6093      50.0   
1 1 1 20 14 54 o 6.161000       1.527000      ?             ?      
1 1 1 20 14 55 o 1.050000       1.288000      ?             ?      
1 1 1 20 14 56 o 2.604000       1.283000      ?             ?      
1 1 1 20 14 57 o 0.7374000E-03  1.252000      ?             ?      
1 1 1 20 14 58 o 2.588000       1.263000      ?             ?      
1 1 1 20 14 59 o 0.8092000      1.247000      ?             ?      
1 1 1 20 14 60 o -1.812000      1.238000      ?             ?      
1 1 1 20 14 61 o 0.7832000      1.234000      ?             ?      
1 1 1 20 14 62 o 1.843000       1.274000      ?             ?      
1 1 1 20 14 63 o 1.630000       1.284000      ?             ?      
1 1 1 20 14 64 o 1.922000       1.425000      ?             ?      
1 1 1 20 14 65 o -0.8149000     1.386000      ?             ?      
1 1 1 20 14 66 o -0.8505000     1.389000      ?             ?      
1 1 1 20 14 67 o 0.8533000      1.617000      ?             ?      
1 1 1 20 14 68 o -1.805000      1.617000      ?             ?      
1 1 1 20 14 69 o -0.4278000     1.439000      ?             ?      
1 1 1 20 14 70 o 1.782000       1.342000      ?             ?      
1 1 1 20 15 0  o 11.19000       1.640000      752.4147      -0.0   
1 1 1 20 15 1  o 15.79000       1.030000      580.0566      99.8   
1 1 1 20 15 2  o 9.703000       0.8879000     498.5207      -53.5  
1 1 1 20 15 3  o 73.22000       2.006000      1126.043      -157.9 
1 1 1 20 15 4  o 10.40000       1.081000      475.5004      -71.0  
1 1 1 20 15 5  o 6.217000       0.9854000     447.6503      -58.7  
1 1 1 20 15 6  o 16.47000       1.336000      579.2283      -130.7 
1 1 1 20 15 7  o 77.79000       2.053000      1331.543      135.8  
1 1 1 20 15 8  o 23.21000       1.410000      805.3295      -110.1 
1 1 1 20 15 9  o 4.203000       1.305000      582.1176      159.9  
1 1 1 20 15 10 o 12.61000       1.516000      750.6732      -157.5 
1 1 1 20 15 11 o 3.016000       1.463000      396.3959      145.5  
1 1 1 20 15 12 o 0.9899000      1.219000      244.5767      172.6  
1 1 1 20 15 13 o 21.74000       1.457000      670.7226      -5.4   
1 1 1 20 15 14 o 29.27000       1.505000      910.9747      154.0  
1 1 1 20 15 15 o 21.73000       1.236000      669.8068      -155.3 
1 1 1 20 15 16 o 1.827000       1.063000      120.3193      105.3  
1 1 1 20 15 17 o 25.20000       1.238000      757.6065      -30.4  
1 1 1 20 15 18 o 8.324000       1.089000      524.5696      163.5  
1 1 1 20 15 19 o 67.86000       2.567000      1300.592      -101.8 
1 1 1 20 15 20 o 4.859000       1.006000      343.4543      -58.8  
1 1 1 20 15 21 o 0.8380000      1.064000      373.1565      -176.2 
1 1 1 20 15 22 o 45.18000       1.571000      946.5205      -178.6 
1 1 1 20 15 23 o 6.473000       1.130000      381.5969      -111.0 
1 1 1 20 15 24 o 1.265000       1.034000      158.8757      22.7   
1 1 1 20 15 25 o 11.67000       1.115000      330.0082      -108.6 
1 1 1 20 15 26 o 4.171000       1.002000      232.2498      77.7   
1 1 1 20 15 27 o 2.329000       1.078000      114.8636      96.4   
1 1 1 20 15 28 o 2.883000       1.227000      219.1827      -64.4  
1 1 1 20 15 29 o 6.318000       1.178000      375.9142      -131.3 
1 1 1 20 15 30 o 2.485000       1.150000      305.6176      118.6  
1 1 1 20 15 31 o 4.262000       1.002000      203.5886      180.0  
1 1 1 20 15 32 o 1.808000       0.9878000     62.40491      50.3   
1 1 1 20 15 33 o 16.49000       1.132000      614.0963      -129.1 
1 1 1 20 15 34 o 2.469000       1.095000      121.8640      -92.7  
1 1 1 20 15 35 o 8.029000       1.320000      289.4190      66.5   
1 1 1 20 15 36 o 4.929000       1.161000      326.4312      31.2   
1 1 1 20 15 37 o 11.08000       1.122000      580.5153      167.8  
1 1 1 20 15 38 o 5.988000       1.076000      315.7112      129.4  
1 1 1 20 15 39 o 2.130000       1.071000      150.7824      151.5  
1 1 1 20 15 40 o 3.422000       1.112000      432.5503      84.5   
1 1 1 20 15 41 o 3.882000       1.129000      313.0927      100.9  
1 1 1 20 15 42 o -1.068000      1.123000      68.16338      152.6  
1 1 1 20 15 43 o 8.884000       1.209000      394.4047      44.9   
1 1 1 20 15 44 o 4.879000       1.232000      304.9961      153.7  
1 1 1 20 15 45 o 0.7837000E-01  1.240000      128.7895      -53.7  
1 1 1 20 15 46 o 1.420000       1.284000      157.7023      -18.4  
1 1 1 20 15 47 o -1.442000      1.436000      28.98298      25.8   
1 1 1 20 15 48 o 0.4886000      1.437000      48.82914      -90.1  
1 1 1 20 15 49 o 0.9093000E-01  1.489000      74.50737      -32.7  
1 1 1 20 15 50 o 7.761000       1.580000      480.9456      152.4  
1 1 1 20 15 51 o 10.35000       1.576000      424.3762      6.4    
1 1 1 20 15 52 o 12.93000       1.661000      399.8423      70.8   
1 1 1 20 15 53 o 4.738000       1.579000      ?             ?      
1 1 1 20 15 54 o -0.6061000     1.430000      ?             ?      
1 1 1 20 15 55 o -1.659000      1.272000      ?             ?      
1 1 1 20 15 56 o 3.911000       1.286000      ?             ?      
1 1 1 20 15 57 o 1.301000       1.244000      ?             ?      
1 1 1 20 15 58 o 0.2734000      1.245000      ?             ?      
1 1 1 20 15 59 o 2.555000       1.250000      ?             ?      
1 1 1 20 15 60 o 3.532000       1.271000      ?             ?      
1 1 1 20 15 61 o 1.324000       1.247000      ?             ?      
1 1 1 20 15 62 o 1.710000       1.254000      ?             ?      
1 1 1 20 15 63 o -0.7109000     1.264000      ?             ?      
1 1 1 20 15 64 o -0.4479000     1.401000      ?             ?      
1 1 1 20 15 65 o 0.2951000      1.399000      ?             ?      
1 1 1 20 15 66 o -0.1319000     2.051000      ?             ?      
1 1 1 20 15 67 o -0.3073000     1.768000      ?             ?      
1 1 1 20 15 68 o -0.5630000     1.646000      ?             ?      
1 1 1 20 15 69 o -0.3781000     1.325000      ?             ?      
1 1 1 20 15 70 o -0.3932000E-01 1.321000      ?             ?      
1 1 1 20 16 0  o 0.8720000      1.226000      64.85629      0.0    
1 1 1 20 16 1  o 10.06000       0.9129000     293.4689      178.6  
1 1 1 20 16 2  o 26.63000       1.210000      598.4219      -31.1  
1 1 1 20 16 3  o 33.19000       1.171000      908.0336      48.2   
1 1 1 20 16 4  o 11.43000       1.010000      441.0302      45.8   
1 1 1 20 16 5  o 25.79000       1.111000      614.0675      -8.2   
1 1 1 20 16 6  o 43.69000       1.392000      797.1885      -172.4 
1 1 1 20 16 7  o 9.088000       1.308000      371.7749      -16.7  
1 1 1 20 16 8  o 21.43000       1.533000      511.9735      -61.7  
1 1 1 20 16 9  o 6.387000       1.351000      650.8303      -45.3  
1 1 1 20 16 10 o 30.68000       1.662000      834.1942      -153.8 
1 1 1 20 16 11 o 7.116000       1.348000      310.8430      25.7   
1 1 1 20 16 12 o 42.74000       2.550000      982.3132      -77.3  
1 1 1 20 16 13 o 7.704000       1.505000      723.7730      -123.0 
1 1 1 20 16 14 o 8.501000       1.227000      507.2654      -163.7 
1 1 1 20 16 15 o 1.039000       1.327000      421.0351      18.2   
1 1 1 20 16 16 o 27.53000       1.284000      589.8063      -25.5  
1 1 1 20 16 17 o 7.479000       1.081000      208.1035      8.5    
1 1 1 20 16 18 o 29.30000       1.287000      741.6295      35.5   
1 1 1 20 16 19 o 20.11000       1.217000      815.6506      -46.9  
1 1 1 20 16 20 o 8.412000       1.016000      563.0673      75.0   
1 1 1 20 16 21 o 11.28000       1.103000      339.8878      -25.0  
1 1 1 20 16 22 o 15.56000       1.152000      456.1054      -57.1  
1 1 1 20 16 23 o 2.974000       1.103000      162.6348      -52.2  
1 1 1 20 16 24 o 2.750000       1.100000      447.0075      134.6  
1 1 1 20 16 25 o 8.456000       1.042000      422.0892      -40.1  
1 1 1 20 16 26 o 0.8890000      1.042000      76.73548      47.5   
1 1 1 20 16 27 o 8.345000       1.137000      423.5255      -98.4  
1 1 1 20 16 28 o 19.84000       1.271000      699.4500      -141.9 
1 1 1 20 16 29 o 12.59000       1.324000      534.3633      168.7  
1 1 1 20 16 30 o 28.97000       1.609000      616.5489      -123.5 
1 1 1 20 16 31 o 4.410000       1.166000      314.7736      72.6   
1 1 1 20 16 32 o 47.05000       1.541000      915.1403      -72.0  
1 1 1 20 16 33 o 18.63000       1.222000      511.3520      -135.7 
1 1 1 20 16 34 o -0.3132000     1.088000      126.3511      -30.0  
1 1 1 20 16 35 o 15.18000       1.330000      389.4578      -153.8 
1 1 1 20 16 36 o 10.02000       1.207000      588.1599      -173.8 
1 1 1 20 16 37 o 3.080000       1.061000      314.4190      -52.8  
1 1 1 20 16 38 o 17.29000       1.193000      576.2020      -97.6  
1 1 1 20 16 39 o 4.138000       1.092000      317.4694      130.9  
1 1 1 20 16 40 o -0.5018000     1.096000      87.44950      -152.1 
1 1 1 20 16 41 o 8.717000       1.175000      420.4086      -161.4 
1 1 1 20 16 42 o 4.974000       1.166000      261.3659      -109.1 
1 1 1 20 16 43 o 6.748000       1.228000      391.7705      -142.1 
1 1 1 20 16 44 o 13.99000       1.338000      585.7289      -3.4   
1 1 1 20 16 45 o 15.07000       1.368000      378.4690      24.9   
1 1 1 20 16 46 o 9.974000       1.354000      434.9927      130.4  
1 1 1 20 16 47 o 7.593000       1.509000      345.2553      -153.4 
1 1 1 20 16 48 o 3.338000       1.620000      246.6582      154.5  
1 1 1 20 16 49 o 1.864000       1.480000      194.4152      38.4   
1 1 1 20 16 50 o 3.407000       1.554000      319.5581      109.6  
1 1 1 20 16 51 o 8.695000       1.949000      486.4182      178.6  
1 1 1 20 16 52 o 16.01000       2.282000      594.2200      160.4  
1 1 1 20 16 53 o 11.75000       1.606000      ?             ?      
1 1 1 20 16 54 o 0.6834000      1.284000      ?             ?      
1 1 1 20 16 55 o 1.340000       1.268000      ?             ?      
1 1 1 20 16 56 f 0.8223000      1.254000      ?             ?      
1 1 1 20 16 57 o 1.881000       1.243000      ?             ?      
1 1 1 20 16 58 o 4.722000       1.261000      ?             ?      
1 1 1 20 16 59 o 2.207000       1.248000      ?             ?      
1 1 1 20 16 60 f 3.807000       1.277000      ?             ?      
1 1 1 20 16 61 o 5.019000       1.281000      ?             ?      
1 1 1 20 16 62 o 3.437000       1.270000      ?             ?      
1 1 1 20 16 63 o 0.2359000E-01  1.251000      ?             ?      
1 1 1 20 16 64 o 0.1128000      1.418000      ?             ?      
1 1 1 20 16 65 o 0.1521000      1.516000      ?             ?      
1 1 1 20 16 66 f 3.678000       1.948000      ?             ?      
1 1 1 20 16 67 o 0.8563000      1.754000      ?             ?      
1 1 1 20 16 68 o 2.974000       1.672000      ?             ?      
1 1 1 20 16 69 o 0.7805000      1.317000      ?             ?      
1 1 1 20 17 0  o 16.89000       1.478000      631.0268      0.0    
1 1 1 20 17 1  o 206.2000       4.328000      1819.912      125.8  
1 1 1 20 17 2  o 1.679000       0.8770000     75.79160      -56.8  
1 1 1 20 17 3  o 22.73000       1.049000      715.0693      -130.0 
1 1 1 20 17 4  o 45.12000       1.717000      925.6236      -55.7  
1 1 1 20 17 5  o 48.51000       1.703000      1074.647      -103.5 
1 1 1 20 17 6  o 4.831000       1.032000      213.8356      -131.3 
1 1 1 20 17 7  o -0.8818000     1.312000      204.6441      -44.0  
1 1 1 20 17 8  o 95.12000       2.756000      1317.528      -96.1  
1 1 1 20 17 9  o 36.18000       1.979000      820.7859      -87.9  
1 1 1 20 17 10 o 23.33000       1.380000      692.6944      165.4  
1 1 1 20 17 11 o 10.25000       1.266000      570.3713      27.8   
1 1 1 20 17 12 o 75.44000       2.476000      1031.309      68.6   
1 1 1 20 17 13 o 23.15000       1.594000      838.7239      -58.9  
1 1 1 20 17 14 o 111.6000       3.213000      1639.395      159.5  
1 1 1 20 17 15 o 1.275000       1.100000      232.7823      -9.6   
1 1 1 20 17 16 f 14.46000       1.169000      619.8597      -16.8  
1 1 1 20 17 17 o 15.33000       1.151000      512.0785      110.3  
1 1 1 20 17 18 o 39.85000       1.481000      805.9783      37.8   
1 1 1 20 17 19 o 7.080000       1.042000      451.1702      -113.3 
1 1 1 20 17 20 o 18.64000       1.117000      523.4312      91.2   
1 1 1 20 17 21 o 12.91000       1.115000      467.0617      -138.6 
1 1 1 20 17 22 o 9.214000       1.091000      445.9078      -46.8  
1 1 1 20 17 23 o 37.41000       1.489000      708.2361      -101.1 
1 1 1 20 17 24 o 25.46000       1.309000      639.3661      129.5  
1 1 1 20 17 25 o 2.493000       1.010000      330.8957      -90.2  
1 1 1 20 17 26 o 8.585000       1.067000      338.1072      14.2   
1 1 1 20 17 27 o 18.25000       1.139000      664.9829      -103.4 
1 1 1 20 17 28 o 17.51000       1.241000      601.4459      -42.4  
1 1 1 20 17 29 o 3.303000       1.131000      249.8730      15.7   
1 1 1 20 17 30 o 5.263000       1.267000      268.2837      36.2   
1 1 1 20 17 31 o 29.90000       1.435000      831.1542      -6.5   
1 1 1 20 17 32 o 8.549000       1.074000      549.3924      -94.4  
1 1 1 20 17 33 o 7.911000       1.156000      389.9339      154.8  
1 1 1 20 17 34 o 13.90000       1.331000      556.3987      -104.8 
1 1 1 20 17 35 o 2.641000       1.146000      228.8309      -32.1  
1 1 1 20 17 36 o 10.24000       1.114000      335.5079      -67.8  
1 1 1 20 17 37 o 20.88000       1.224000      663.0854      144.5  
1 1 1 20 17 38 o 18.82000       1.224000      793.6949      -14.8  
1 1 1 20 17 39 o 6.910000       1.120000      279.8824      -18.2  
1 1 1 20 17 40 o 13.75000       1.214000      480.6036      55.8   
1 1 1 20 17 41 o 30.43000       1.421000      797.4214      -19.4  
1 1 1 20 17 42 o 0.9508000E-01  1.161000      249.0913      166.4  
1 1 1 20 17 43 o 44.14000       1.830000      905.5657      72.8   
1 1 1 20 17 44 o 1.018000       1.262000      223.9952      65.4   
1 1 1 20 17 45 o 3.335000       1.312000      234.2451      39.6   
1 1 1 20 17 46 o 1.476000       1.321000      188.4737      -85.6  
1 1 1 20 17 47 o 7.045000       1.519000      439.2177      -156.1 
1 1 1 20 17 48 o 5.091000       1.556000      268.3651      -37.3  
1 1 1 20 17 49 o 8.054000       1.523000      411.5981      -166.1 
1 1 1 20 17 50 o 9.247000       1.454000      451.1758      -71.3  
1 1 1 20 17 51 o 9.389000       1.787000      408.8848      -3.9   
1 1 1 20 17 52 o 7.942000       1.825000      432.8315      67.0   
1 1 1 20 17 53 o 9.395000       1.594000      ?             ?      
1 1 1 20 17 54 o 2.478000       1.289000      ?             ?      
1 1 1 20 17 55 o 6.852000       1.292000      ?             ?      
1 1 1 20 17 56 o -0.7551000     1.243000      ?             ?      
1 1 1 20 17 57 o 3.025000       1.247000      ?             ?      
1 1 1 20 17 58 o 0.8038000      1.238000      ?             ?      
1 1 1 20 17 59 o 2.104000       1.250000      ?             ?      
1 1 1 20 17 60 o 5.407000       1.274000      ?             ?      
1 1 1 20 17 61 o 1.340000       1.256000      ?             ?      
1 1 1 20 17 62 o 2.533000       1.267000      ?             ?      
1 1 1 20 17 63 o 1.003000       1.260000      ?             ?      
1 1 1 20 17 64 o -0.3296000E-01 1.269000      ?             ?      
1 1 1 20 17 65 o -1.300000      1.500000      ?             ?      
1 1 1 20 17 66 o 0.1224000      1.803000      ?             ?      
1 1 1 20 17 67 o 3.872000       1.753000      ?             ?      
1 1 1 20 17 68 o 2.359000       1.566000      ?             ?      
1 1 1 20 17 69 o -0.5494000E-01 1.464000      ?             ?      
1 1 1 20 18 0  o 23.48000       1.826000      653.2332      180.0  
1 1 1 20 18 1  o 10.08000       1.077000      1001.076      -34.2  
1 1 1 20 18 2  o 22.80000       1.249000      756.5013      130.6  
1 1 1 20 18 3  o 27.46000       1.353000      689.1452      33.2   
1 1 1 20 18 4  o 17.34000       1.183000      583.5800      -79.2  
1 1 1 20 18 5  o 52.30000       1.609000      985.4139      83.0   
1 1 1 20 18 6  o 9.581000       1.513000      265.3792      -149.5 
1 1 1 20 18 7  o 62.37000       2.383000      1107.740      16.0   
1 1 1 20 18 8  o 110.7000       3.020000      1526.428      43.5   
1 1 1 20 18 9  o 9.234000       2.100000      576.2650      -51.6  
1 1 1 20 18 10 o 16.21000       1.531000      688.0801      -120.9 
1 1 1 20 18 11 o 7.431000       1.412000      396.3372      -10.3  
1 1 1 20 18 12 o -0.6335000     1.375000      140.9696      149.1  
1 1 1 20 18 13 o 16.33000       1.460000      438.5358      -139.9 
1 1 1 20 18 14 o 24.76000       1.486000      487.0737      111.7  
1 1 1 20 18 15 o 33.48000       1.570000      862.4164      34.0   
1 1 1 20 18 16 o 7.947000       1.117000      272.2817      137.1  
1 1 1 20 18 17 o 101.9000       2.383000      1209.233      146.7  
1 1 1 20 18 18 o 5.550000       1.036000      383.0703      143.6  
1 1 1 20 18 19 o 27.60000       1.231000      644.5942      33.0   
1 1 1 20 18 20 o 21.78000       1.178000      551.9269      19.7   
1 1 1 20 18 21 o 31.75000       1.335000      790.5928      88.2   
1 1 1 20 18 22 o 22.13000       1.227000      497.9150      -9.0   
1 1 1 20 18 23 o 12.77000       1.108000      593.8687      -123.7 
1 1 1 20 18 24 o -0.4700000     1.070000      247.0996      152.3  
1 1 1 20 18 25 o 7.364000       1.052000      377.1397      -80.2  
1 1 1 20 18 26 o 12.23000       1.101000      464.3682      10.8   
1 1 1 20 18 27 o 1.279000       0.9784000     77.81409      -137.3 
1 1 1 20 18 28 o 21.92000       1.296000      415.4605      145.6  
1 1 1 20 18 29 o 32.22000       1.445000      761.2058      61.3   
1 1 1 20 18 30 o 3.867000       1.259000      315.6942      -124.7 
1 1 1 20 18 31 o 13.51000       1.237000      463.7933      1.4    
1 1 1 20 18 32 o 9.309000       1.339000      380.9697      2.0    
1 1 1 20 18 33 o 2.931000       1.151000      126.0441      175.9  
1 1 1 20 18 34 o -1.750000      1.221000      158.8471      -72.6  
1 1 1 20 18 35 o 2.217000       1.105000      117.4618      -59.6  
1 1 1 20 18 36 o 10.13000       1.108000      426.5809      172.7  
1 1 1 20 18 37 o -0.2252000E-01 1.054000      97.91756      -175.0 
1 1 1 20 18 38 o 7.487000       1.104000      414.4836      -139.5 
1 1 1 20 18 39 o 11.43000       1.162000      390.1118      89.3   
1 1 1 20 18 40 o 6.046000       1.172000      541.0274      56.8   
1 1 1 20 18 41 o 12.99000       1.262000      489.4034      166.3  
1 1 1 20 18 42 o 12.92000       1.280000      391.1779      107.2  
1 1 1 20 18 43 o 20.57000       1.384000      660.3770      176.7  
1 1 1 20 18 44 o 13.57000       1.349000      445.6217      -3.7   
1 1 1 20 18 45 o 33.79000       1.623000      770.6628      37.7   
1 1 1 20 18 46 o 12.77000       1.382000      470.6694      -170.9 
1 1 1 20 18 47 o 3.056000       1.344000      158.6427      -31.3  
1 1 1 20 18 48 o 3.744000       1.515000      265.2794      -155.9 
1 1 1 20 18 49 o 23.36000       1.841000      569.9085      43.7   
1 1 1 20 18 50 o 6.214000       1.701000      285.1383      171.1  
1 1 1 20 18 51 o 8.916000       1.949000      539.2476      99.9   
1 1 1 20 18 52 o 16.32000       2.023000      ?             ?      
1 1 1 20 18 53 o -0.2841000     1.408000      ?             ?      
1 1 1 20 18 54 o 8.006000       1.314000      ?             ?      
1 1 1 20 18 55 o 0.9558000      1.247000      ?             ?      
1 1 1 20 18 56 o 5.029000       1.261000      ?             ?      
1 1 1 20 18 57 o 0.4292000      1.250000      ?             ?      
1 1 1 20 18 58 o 1.993000       1.248000      ?             ?      
1 1 1 20 18 59 o 3.599000       1.255000      ?             ?      
1 1 1 20 18 60 o 1.246000       1.254000      ?             ?      
1 1 1 20 18 61 o 0.1644000      1.243000      ?             ?      
1 1 1 20 18 62 o 2.930000       1.280000      ?             ?      
1 1 1 20 18 63 o 0.4525000      1.275000      ?             ?      
1 1 1 20 18 64 o -0.3892000     1.264000      ?             ?      
1 1 1 20 18 65 o 1.519000       1.697000      ?             ?      
1 1 1 20 18 66 o 3.266000       2.226000      ?             ?      
1 1 1 20 18 67 o -0.2940000     1.664000      ?             ?      
1 1 1 20 18 68 o 1.069000       1.449000      ?             ?      
1 1 1 20 18 69 o 2.484000       1.450000      ?             ?      
1 1 1 20 19 0  o 29.51000       2.402000      535.3216      -0.0   
1 1 1 20 19 1  o 101.5000       2.707000      1881.910      136.7  
1 1 1 20 19 2  o 13.50000       1.107000      223.8902      19.1   
1 1 1 20 19 3  o 127.1000       3.421000      1728.731      -85.2  
1 1 1 20 19 4  o 32.67000       1.199000      891.7792      -136.3 
1 1 1 20 19 5  o 2.104000       1.671000      431.9168      60.7   
1 1 1 20 19 6  o 43.82000       2.369000      914.3113      -163.0 
1 1 1 20 19 7  o 6.204000       1.440000      372.8170      -48.7  
1 1 1 20 19 8  o 31.24000       1.760000      685.3965      -87.2  
1 1 1 20 19 9  o 68.18000       2.858000      1090.208      90.1   
1 1 1 20 19 10 o 105.7000       3.207000      1370.105      169.6  
1 1 1 20 19 11 o 5.836000       1.376000      522.8944      -31.0  
1 1 1 20 19 12 o 6.228000       1.348000      446.7538      83.0   
1 1 1 20 19 13 o 39.24000       2.570000      521.5272      38.8   
1 1 1 20 19 14 o 5.569000       1.296000      368.0179      43.2   
1 1 1 20 19 15 o -0.1056000     1.245000      126.2030      27.4   
1 1 1 20 19 16 o 10.91000       1.133000      625.5435      133.2  
1 1 1 20 19 17 o -0.1708000     1.112000      69.33757      2.7    
1 1 1 20 19 18 o 64.73000       1.877000      928.8275      45.6   
1 1 1 20 19 19 o 79.71000       2.180000      1192.748      128.6  
1 1 1 20 19 20 o 2.266000       1.020000      211.0438      61.7   
1 1 1 20 19 21 o -0.2236000     0.9823000     296.1844      -44.3  
1 1 1 20 19 22 o 27.41000       1.243000      461.9695      -73.2  
1 1 1 20 19 23 o 12.92000       1.092000      470.8019      159.0  
1 1 1 20 19 24 o 4.663000       1.100000      444.0821      -63.9  
1 1 1 20 19 25 o 5.570000       1.101000      260.1402      -120.1 
1 1 1 20 19 26 o 13.89000       1.121000      549.2608      -150.0 
1 1 1 20 19 27 o 48.27000       1.693000      838.7951      105.7  
1 1 1 20 19 28 o 35.07000       1.468000      937.6917      47.7   
1 1 1 20 19 29 o 6.042000       1.156000      245.9321      -125.9 
1 1 1 20 19 30 o 17.53000       1.272000      421.7800      141.3  
1 1 1 20 19 31 o 1.229000       1.271000      162.0927      -52.1  
1 1 1 20 19 32 o 2.184000       1.320000      131.1676      -170.3 
1 1 1 20 19 33 o 21.71000       1.679000      776.6104      98.0   
1 1 1 20 19 34 o 74.18000       2.288000      1343.132      -87.4  
1 1 1 20 19 35 o 2.513000       1.076000      219.7681      -22.8  
1 1 1 20 19 36 o 6.908000       1.084000      428.0099      -83.4  
1 1 1 20 19 37 o 4.696000       1.066000      309.0356      45.2   
1 1 1 20 19 38 o 1.852000       1.068000      146.4262      -177.1 
1 1 1 20 19 39 o 11.11000       1.170000      413.9312      86.8   
1 1 1 20 19 40 o -0.9063000     1.139000      129.2419      -165.7 
1 1 1 20 19 41 o 56.20000       1.835000      1025.608      -94.7  
1 1 1 20 19 42 o 22.61000       1.402000      543.4481      137.3  
1 1 1 20 19 43 o 20.41000       1.538000      692.6998      59.9   
1 1 1 20 19 44 o 11.75000       1.345000      309.6337      100.1  
1 1 1 20 19 45 o 14.68000       1.537000      619.8398      -6.1   
1 1 1 20 19 46 o 5.849000       1.337000      323.4631      -161.5 
1 1 1 20 19 47 o 10.53000       1.401000      501.8942      -53.1  
1 1 1 20 19 48 o -0.6988000     1.495000      85.25004      -128.9 
1 1 1 20 19 49 o 20.15000       1.809000      620.9886      -117.5 
1 1 1 20 19 50 o 5.328000       1.679000      364.7668      -177.2 
1 1 1 20 19 51 o -1.334000      1.523000      158.5501      -10.6  
1 1 1 20 19 52 o -0.9173000E-01 1.528000      ?             ?      
1 1 1 20 19 53 o 9.974000       1.478000      ?             ?      
1 1 1 20 19 54 o 1.050000       1.393000      ?             ?      
1 1 1 20 19 55 o 8.210000       1.296000      ?             ?      
1 1 1 20 19 56 o 5.478000       1.271000      ?             ?      
1 1 1 20 19 57 f 19.41000       1.424000      ?             ?      
1 1 1 20 19 58 o -0.2485000     1.233000      ?             ?      
1 1 1 20 19 59 o 2.326000       1.238000      ?             ?      
1 1 1 20 19 60 o 1.378000       1.243000      ?             ?      
1 1 1 20 19 61 o 1.869000       1.262000      ?             ?      
1 1 1 20 19 62 o 5.475000       1.299000      ?             ?      
1 1 1 20 19 63 o 9.037000       1.336000      ?             ?      
1 1 1 20 19 64 o -0.4962000     1.266000      ?             ?      
1 1 1 20 19 65 o 2.672000       1.484000      ?             ?      
1 1 1 20 19 66 o 1.449000       1.704000      ?             ?      
1 1 1 20 19 67 o -0.5216000     1.431000      ?             ?      
1 1 1 20 19 68 o 2.908000       1.464000      ?             ?      
1 1 1 20 20 0  o -0.7572000E-01 1.744000      386.2336      180.0  
1 1 1 20 20 1  o 117.3000       3.454000      1433.493      77.3   
1 1 1 20 20 2  o 104.8000       2.346000      1311.146      -21.0  
1 1 1 20 20 3  o 153.8000       3.943000      1888.184      -51.2  
1 1 1 20 20 4  o 65.21000       1.845000      1209.903      -18.7  
1 1 1 20 20 5  o 12.27000       1.349000      586.6706      -146.3 
1 1 1 20 20 6  o -1.607000      1.383000      405.1971      -33.6  
1 1 1 20 20 7  o 21.83000       1.599000      873.7148      52.1   
1 1 1 20 20 8  o 21.24000       1.526000      515.4921      101.7  
1 1 1 20 20 9  o 458.0000       12.06000      2374.778      -71.2  
1 1 1 20 20 10 o 67.62000       2.444000      1079.842      144.5  
1 1 1 20 20 11 o 33.82000       1.685000      681.5084      73.9   
1 1 1 20 20 12 o 30.98000       1.587000      653.9041      99.8   
1 1 1 20 20 13 o 21.78000       1.328000      776.0628      -152.6 
1 1 1 20 20 14 o 92.62000       2.336000      1260.840      156.4  
1 1 1 20 20 15 o 27.56000       1.404000      555.2091      68.5   
1 1 1 20 20 16 o 6.130000       1.215000      329.2628      -175.0 
1 1 1 20 20 17 o 120.7000       2.775000      1513.781      173.4  
1 1 1 20 20 18 o 29.49000       1.314000      668.9651      108.6  
1 1 1 20 20 19 o 51.25000       1.546000      911.4693      87.5   
1 1 1 20 20 20 o 14.29000       1.066000      505.9033      -138.9 
1 1 1 20 20 21 o 26.19000       1.168000      454.9753      72.4   
1 1 1 20 20 22 o 0.7394000      1.011000      291.5322      -9.7   
1 1 1 20 20 23 o 5.573000       1.027000      324.3830      -131.9 
1 1 1 20 20 24 o 7.163000       1.108000      400.7995      -141.8 
1 1 1 20 20 25 o 19.85000       1.263000      581.8810      112.5  
1 1 1 20 20 26 o 27.45000       1.300000      605.6676      175.4  
1 1 1 20 20 27 o 19.92000       1.312000      511.4068      -8.2   
1 1 1 20 20 28 o 22.58000       1.172000      766.1342      68.0   
1 1 1 20 20 29 o 28.86000       1.471000      708.2379      16.5   
1 1 1 20 20 30 o 9.522000       1.196000      504.8720      -153.8 
1 1 1 20 20 31 o 21.47000       1.627000      607.9029      99.9   
1 1 1 20 20 32 o 9.765000       1.495000      385.2842      -55.3  
1 1 1 20 20 33 o 8.285000       1.496000      489.0933      38.4   
1 1 1 20 20 34 o 2.008000       1.128000      132.0628      84.1   
1 1 1 20 20 35 o 40.28000       1.491000      1019.986      3.4    
1 1 1 20 20 36 o 10.16000       1.115000      380.8442      156.5  
1 1 1 20 20 37 o 12.33000       1.143000      552.7169      165.7  
1 1 1 20 20 38 o -1.227000      1.081000      31.41754      34.3   
1 1 1 20 20 39 o 3.316000       1.135000      457.1534      41.3   
1 1 1 20 20 40 o 22.46000       1.323000      539.2689      32.0   
1 1 1 20 20 41 o 7.379000       1.231000      339.2877      153.9  
1 1 1 20 20 42 o 6.578000       1.339000      350.4380      33.2   
1 1 1 20 20 43 o 19.06000       1.385000      633.7269      -165.2 
1 1 1 20 20 44 o 9.565000       1.334000      325.3975      13.3   
1 1 1 20 20 45 o 11.35000       1.363000      501.2536      108.9  
1 1 1 20 20 46 o 2.169000       1.309000      169.5396      109.8  
1 1 1 20 20 47 o 7.033000       1.364000      422.6039      21.5   
1 1 1 20 20 48 o 0.9079000      1.355000      154.8557      -151.2 
1 1 1 20 20 49 o 28.83000       2.049000      811.4418      -19.2  
1 1 1 20 20 50 o 1.462000       1.999000      74.19502      -124.8 
1 1 1 20 20 51 o 15.92000       1.816000      ?             ?      
1 1 1 20 20 52 o 2.049000       1.424000      ?             ?      
1 1 1 20 20 53 o 3.039000       1.536000      ?             ?      
1 1 1 20 20 54 o -1.392000      1.370000      ?             ?      
1 1 1 20 20 55 o 0.3669000      1.256000      ?             ?      
1 1 1 20 20 56 o 5.926000       1.289000      ?             ?      
1 1 1 20 20 57 o -1.651000      1.233000      ?             ?      
1 1 1 20 20 58 o 2.059000       1.233000      ?             ?      
1 1 1 20 20 59 o 5.721000       1.276000      ?             ?      
1 1 1 20 20 60 o 2.549000       1.251000      ?             ?      
1 1 1 20 20 61 o 11.01000       1.343000      ?             ?      
1 1 1 20 20 62 o -1.146000      1.248000      ?             ?      
1 1 1 20 20 63 o 1.227000       1.275000      ?             ?      
1 1 1 20 20 64 o 5.556000       1.480000      ?             ?      
1 1 1 20 20 65 o 5.079000       1.728000      ?             ?      
1 1 1 20 20 66 o -0.8210000     1.696000      ?             ?      
1 1 1 20 20 67 o 1.186000       1.536000      ?             ?      
1 1 1 20 20 68 o 3.690000       1.674000      ?             ?      
1 1 1 20 21 0  o 86.11000       2.911000      984.0112      -180.0 
1 1 1 20 21 1  o 103.7000       2.431000      1538.606      54.5   
1 1 1 20 21 2  o 29.03000       1.426000      606.7702      76.5   
1 1 1 20 21 3  o 58.85000       1.811000      1194.559      33.6   
1 1 1 20 21 4  o 5.496000       1.044000      326.8826      148.5  
1 1 1 20 21 5  o 0.2929000      1.338000      228.4230      113.7  
1 1 1 20 21 6  o 72.94000       2.217000      927.1554      -153.2 
1 1 1 20 21 7  o 72.04000       2.300000      1275.452      51.4   
1 1 1 20 21 8  o 4.928000       1.163000      171.4927      143.9  
1 1 1 20 21 9  o 13.99000       1.552000      284.2290      163.7  
1 1 1 20 21 10 o 26.97000       1.806000      536.3102      -73.9  
1 1 1 20 21 11 o 13.25000       1.419000      632.4813      -93.6  
1 1 1 20 21 12 o 3.464000       1.338000      204.9134      139.3  
1 1 1 20 21 13 o 3.575000       1.127000      345.3465      -80.7  
1 1 1 20 21 14 o 2.685000       1.332000      493.7759      -82.7  
1 1 1 20 21 15 o 7.597000       1.221000      598.2956      127.2  
1 1 1 20 21 16 o 16.11000       1.249000      653.9601      -61.2  
1 1 1 20 21 17 o -0.7541000     1.156000      49.86034      22.3   
1 1 1 20 21 18 o 13.62000       1.101000      746.8087      -64.8  
1 1 1 20 21 19 f 3.657000       1.044000      47.22921      104.5  
1 1 1 20 21 20 o 4.169000       0.9901000     331.6246      -155.1 
1 1 1 20 21 21 o 4.322000       0.9764000     412.3235      114.6  
1 1 1 20 21 22 o 26.43000       1.273000      891.8181      -39.6  
1 1 1 20 21 23 o 2.012000       1.043000      379.8348      -25.5  
1 1 1 20 21 24 o 5.740000       1.032000      286.1469      -41.4  
1 1 1 20 21 25 o 5.031000       1.101000      399.1452      151.7  
1 1 1 20 21 26 o 33.63000       1.392000      584.7047      92.0   
1 1 1 20 21 27 o 47.75000       1.657000      965.3885      99.1   
1 1 1 20 21 28 o 74.62000       1.990000      1125.289      86.6   
1 1 1 20 21 29 o 54.40000       1.666000      1081.322      -141.7 
1 1 1 20 21 30 o 10.85000       1.151000      481.1163      134.0  
1 1 1 20 21 31 o 19.20000       1.400000      550.0840      27.3   
1 1 1 20 21 32 o 4.246000       1.764000      229.9923      -117.8 
1 1 1 20 21 33 o 9.137000       1.483000      547.9283      62.9   
1 1 1 20 21 34 o 49.78000       1.840000      1200.942      144.3  
1 1 1 20 21 35 o 3.398000       1.092000      307.6613      -8.6   
1 1 1 20 21 36 o 9.003000       1.120000      390.3850      -160.5 
1 1 1 20 21 37 o 9.313000       1.146000      517.9573      136.1  
1 1 1 20 21 38 o 0.1785000      1.113000      114.4595      -102.5 
1 1 1 20 21 39 o 25.11000       1.345000      554.5914      80.2   
1 1 1 20 21 40 o 15.33000       1.267000      557.4314      133.2  
1 1 1 20 21 41 o 6.570000       1.224000      258.6334      -160.3 
1 1 1 20 21 42 o 8.546000       1.262000      385.0564      95.7   
1 1 1 20 21 43 o -2.038000      1.235000      70.79701      -123.6 
1 1 1 20 21 44 o 3.387000       1.278000      164.7497      -146.7 
1 1 1 20 21 45 o 30.40000       1.570000      679.8848      -46.7  
1 1 1 20 21 46 o 7.081000       1.347000      574.6846      -170.1 
1 1 1 20 21 47 o 19.27000       1.451000      736.1620      23.9   
1 1 1 20 21 48 o 6.839000       1.358000      461.7200      105.0  
1 1 1 20 21 49 o 10.35000       1.779000      658.5981      -45.8  
1 1 1 20 21 50 o 1.673000       1.958000      143.9042      12.5   
1 1 1 20 21 51 o 2.792000       1.501000      ?             ?      
1 1 1 20 21 52 o 26.67000       1.539000      ?             ?      
1 1 1 20 21 53 o 9.822000       1.466000      ?             ?      
1 1 1 20 21 54 o 0.7077000      1.486000      ?             ?      
1 1 1 20 21 55 o 4.616000       1.386000      ?             ?      
1 1 1 20 21 56 o 11.61000       1.337000      ?             ?      
1 1 1 20 21 57 o 1.039000       1.222000      ?             ?      
1 1 1 20 21 58 o 13.27000       1.326000      ?             ?      
1 1 1 20 21 59 o 7.456000       1.279000      ?             ?      
1 1 1 20 21 60 o 1.223000       1.249000      ?             ?      
1 1 1 20 21 61 o 2.127000       1.247000      ?             ?      
1 1 1 20 21 62 o 0.6399000      1.252000      ?             ?      
1 1 1 20 21 63 o 6.081000       1.324000      ?             ?      
1 1 1 20 21 64 o 0.2095000      1.442000      ?             ?      
1 1 1 20 21 65 o -4.239000      1.591000      ?             ?      
1 1 1 20 21 66 o 2.202000       1.587000      ?             ?      
1 1 1 20 21 67 o -0.3611000     1.780000      ?             ?      
1 1 1 20 22 0  o 6.753000       1.340000      177.6536      -0.0   
1 1 1 20 22 1  o 157.0000       3.089000      1799.998      137.7  
1 1 1 20 22 2  o 12.17000       0.9608000     640.0627      -43.6  
1 1 1 20 22 3  o 39.11000       1.364000      1098.134      -70.8  
1 1 1 20 22 4  o 1.376000       1.027000      121.7897      138.3  
1 1 1 20 22 5  o 18.52000       1.198000      493.9621      -95.1  
1 1 1 20 22 6  o 16.21000       2.098000      847.6356      -46.5  
1 1 1 20 22 7  o 10.00000       1.175000      321.6050      126.3  
1 1 1 20 22 8  o 19.52000       1.305000      399.2552      -120.5 
1 1 1 20 22 9  o 138.9000       3.359000      1796.290      -84.2  
1 1 1 20 22 10 o 101.2000       3.279000      1488.379      119.3  
1 1 1 20 22 11 o 5.366000       1.302000      333.1714      -84.2  
1 1 1 20 22 12 o 17.50000       1.309000      673.6066      -74.7  
1 1 1 20 22 13 o 6.894000       1.328000      396.0031      107.2  
1 1 1 20 22 14 o 43.50000       2.024000      944.5858      73.9   
1 1 1 20 22 15 o 1.202000       1.156000      201.1333      -63.5  
1 1 1 20 22 16 o 19.92000       1.270000      440.3605      156.9  
1 1 1 20 22 17 o 6.542000       1.157000      422.5424      95.3   
1 1 1 20 22 18 o 14.94000       1.276000      766.1200      158.6  
1 1 1 20 22 19 o 33.62000       1.290000      868.6557      74.3   
1 1 1 20 22 20 o 13.09000       1.068000      446.3646      -90.1  
1 1 1 20 22 21 o 11.73000       1.054000      599.9290      59.9   
1 1 1 20 22 22 o 58.68000       1.804000      1126.141      116.4  
1 1 1 20 22 23 o -0.2890000     1.024000      99.38258      70.2   
1 1 1 20 22 24 o 4.323000       1.042000      292.4638      106.7  
1 1 1 20 22 25 o 11.09000       1.120000      290.9506      168.4  
1 1 1 20 22 26 o 1.425000       1.068000      309.9505      176.2  
1 1 1 20 22 27 o 10.54000       1.095000      686.5660      122.6  
1 1 1 20 22 28 o 2.266000       1.041000      496.2487      -105.7 
1 1 1 20 22 29 o 7.651000       1.017000      265.7555      -166.3 
1 1 1 20 22 30 o 0.9464000      1.050000      174.6367      -10.5  
1 1 1 20 22 31 o -1.053000      1.379000      241.6976      1.8    
1 1 1 20 22 32 o 4.986000       1.647000      499.3828      -61.0  
1 1 1 20 22 33 o 3.702000       1.530000      181.1057      -172.0 
1 1 1 20 22 34 o 7.946000       1.295000      298.4756      172.1  
1 1 1 20 22 35 o 20.00000       1.237000      667.9711      -72.0  
1 1 1 20 22 36 o 1.178000       1.076000      143.6232      -7.0   
1 1 1 20 22 37 o 7.519000       1.145000      288.6795      -153.6 
1 1 1 20 22 38 o 6.885000       1.162000      429.6299      -98.7  
1 1 1 20 22 39 o 24.72000       1.375000      655.5444      145.9  
1 1 1 20 22 40 o 23.57000       1.393000      731.3871      -137.9 
1 1 1 20 22 41 o 6.355000       1.235000      293.2046      147.2  
1 1 1 20 22 42 o 4.920000       1.245000      477.3075      -36.4  
1 1 1 20 22 43 o 1.616000       1.242000      262.1593      173.0  
1 1 1 20 22 44 o 11.67000       1.320000      486.2113      -11.2  
1 1 1 20 22 45 o 3.173000       1.294000      195.5614      132.4  
1 1 1 20 22 46 o 20.58000       1.448000      714.9354      55.7   
1 1 1 20 22 47 o 2.465000       1.295000      134.9557      171.8  
1 1 1 20 22 48 o 1.588000       1.358000      94.59960      98.5   
1 1 1 20 22 49 o 7.464000       1.861000      327.0711      31.6   
1 1 1 20 22 50 o 5.145000       1.943000      ?             ?      
1 1 1 20 22 51 o 4.268000       1.426000      ?             ?      
1 1 1 20 22 52 o -1.242000      1.276000      ?             ?      
1 1 1 20 22 53 o -0.6858000     1.369000      ?             ?      
1 1 1 20 22 54 o 0.9224000      1.457000      ?             ?      
1 1 1 20 22 55 o 2.822000       1.353000      ?             ?      
1 1 1 20 22 56 o -0.9425000     1.221000      ?             ?      
1 1 1 20 22 57 o 4.329000       1.247000      ?             ?      
1 1 1 20 22 58 o 2.881000       1.242000      ?             ?      
1 1 1 20 22 59 o 5.076000       1.258000      ?             ?      
1 1 1 20 22 60 o -0.5990000     1.220000      ?             ?      
1 1 1 20 22 61 o 1.265000       1.237000      ?             ?      
1 1 1 20 22 62 o 1.024000       1.249000      ?             ?      
1 1 1 20 22 63 o 2.022000       1.576000      ?             ?      
1 1 1 20 22 64 o 0.9330000      2.146000      ?             ?      
1 1 1 20 22 65 o -0.1709000     1.674000      ?             ?      
1 1 1 20 22 66 o -0.6559000     1.304000      ?             ?      
1 1 1 20 22 67 o 4.134000       1.499000      ?             ?      
1 1 1 20 23 0  o 243.0000       6.447000      1919.073      180.0  
1 1 1 20 23 1  o 36.36000       1.545000      674.4151      91.5   
1 1 1 20 23 2  o 21.45000       1.152000      869.1812      141.6  
1 1 1 20 23 3  o 2.412000       1.005000      343.9138      152.0  
1 1 1 20 23 4  o 28.84000       1.269000      644.9367      28.3   
1 1 1 20 23 5  o -1.969000      1.109000      104.4763      121.8  
1 1 1 20 23 6  o 14.90000       1.302000      433.4513      -95.1  
1 1 1 20 23 7  o 107.2000       3.163000      1343.637      -21.5  
1 1 1 20 23 8  o 5.645000       1.148000      240.3285      -99.9  
1 1 1 20 23 9  o 10.46000       1.552000      462.8088      -177.6 
1 1 1 20 23 10 o 20.67000       1.539000      801.5241      -27.8  
1 1 1 20 23 11 o 13.42000       1.425000      563.5109      13.4   
1 1 1 20 23 12 o 6.871000       1.308000      630.6785      163.0  
1 1 1 20 23 13 o 1.937000       1.109000      373.9296      -155.6 
1 1 1 20 23 14 o 25.91000       1.334000      671.7122      -71.2  
1 1 1 20 23 15 o 17.06000       1.220000      688.4074      140.2  
1 1 1 20 23 16 o 32.81000       1.723000      785.1113      -103.0 
1 1 1 20 23 17 o 6.240000       1.368000      422.1141      -118.9 
1 1 1 20 23 18 o 2.639000       1.258000      63.23445      -99.5  
1 1 1 20 23 19 o 6.291000       1.145000      167.5236      10.3   
1 1 1 20 23 20 o 11.04000       1.077000      332.6551      -174.9 
1 1 1 20 23 21 o 2.291000       1.025000      286.7230      -148.6 
1 1 1 20 23 22 o 2.439000       0.9882000     305.6425      92.3   
1 1 1 20 23 23 o 7.961000       1.044000      389.7693      -176.5 
1 1 1 20 23 24 o 8.477000       1.077000      364.7488      12.0   
1 1 1 20 23 25 o 24.27000       1.304000      755.1903      -171.5 
1 1 1 20 23 26 o 5.580000       1.082000      407.1977      -83.7  
1 1 1 20 23 27 o 10.18000       1.095000      514.3243      41.5   
1 1 1 20 23 28 o 3.091000       1.042000      310.2315      -47.2  
1 1 1 20 23 29 o 16.46000       1.117000      588.1434      -12.2  
1 1 1 20 23 30 o 5.321000       1.078000      449.0394      121.9  
1 1 1 20 23 31 o -1.083000      1.322000      302.0004      14.8   
1 1 1 20 23 32 o 26.00000       1.558000      634.0295      -108.9 
1 1 1 20 23 33 o 24.47000       1.804000      743.0867      5.2    
1 1 1 20 23 34 o 17.02000       1.395000      673.1402      53.5   
1 1 1 20 23 35 o -0.7612000     1.231000      380.8671      -2.5   
1 1 1 20 23 36 o 7.242000       1.145000      419.7685      149.1  
1 1 1 20 23 37 o 4.701000       1.142000      301.5733      -65.0  
1 1 1 20 23 38 o 28.63000       1.410000      786.3843      -72.2  
1 1 1 20 23 39 o 34.11000       1.516000      876.5135      39.4   
1 1 1 20 23 40 o 16.38000       1.311000      546.2548      161.6  
1 1 1 20 23 41 o 3.800000       1.234000      287.9434      170.5  
1 1 1 20 23 42 o 7.830000       1.261000      409.8366      118.4  
1 1 1 20 23 43 o -0.5571000E-01 1.223000      91.59619      27.4   
1 1 1 20 23 44 o 1.387000       1.249000      187.3215      -71.1  
1 1 1 20 23 45 o 0.1908000      1.267000      149.3432      57.0   
1 1 1 20 23 46 o 5.348000       1.311000      366.2200      179.2  
1 1 1 20 23 47 o 2.684000       1.295000      249.4153      30.5   
1 1 1 20 23 48 o 1.402000       1.422000      185.2568      -127.2 
1 1 1 20 23 49 o 6.163000       1.616000      417.3006      -70.5  
1 1 1 20 23 50 f -0.2307000     1.603000      ?             ?      
1 1 1 20 23 51 o 7.041000       1.610000      ?             ?      
1 1 1 20 23 52 o 2.542000       1.388000      ?             ?      
1 1 1 20 23 53 o 2.724000       1.245000      ?             ?      
1 1 1 20 23 54 o 4.587000       1.393000      ?             ?      
1 1 1 20 23 55 o 1.224000       1.456000      ?             ?      
1 1 1 20 23 56 o 2.571000       1.341000      ?             ?      
1 1 1 20 23 57 o -1.490000      1.221000      ?             ?      
1 1 1 20 23 58 o 0.6240000      1.208000      ?             ?      
1 1 1 20 23 59 o 0.5324000      1.212000      ?             ?      
1 1 1 20 23 60 o 1.157000       1.215000      ?             ?      
1 1 1 20 23 61 o -0.4995000     1.354000      ?             ?      
1 1 1 20 23 62 o 0.6342000      1.270000      ?             ?      
1 1 1 20 23 63 o 6.115000       1.662000      ?             ?      
1 1 1 20 23 64 o 2.344000       1.472000      ?             ?      
1 1 1 20 23 65 o 0.3616000      1.297000      ?             ?      
1 1 1 20 23 66 o 2.473000       1.427000      ?             ?      
1 1 1 20 23 67 o 1.901000       1.578000      ?             ?      
1 1 1 20 24 0  o -0.9982000     1.290000      134.2439      180.0  
1 1 1 20 24 1  o 28.46000       1.206000      820.4193      -148.8 
1 1 1 20 24 2  o 5.201000       0.9804000     370.7697      -72.3  
1 1 1 20 24 3  o 2.275000       0.9996000     214.1794      50.3   
1 1 1 20 24 4  o 21.43000       1.271000      727.2197      -89.7  
1 1 1 20 24 5  o 29.32000       1.384000      803.5858      -83.8  
1 1 1 20 24 6  o 8.969000       1.229000      431.6457      -104.1 
1 1 1 20 24 7  o 4.822000       1.221000      613.7657      81.3   
1 1 1 20 24 8  o 0.7245000      1.063000      122.3682      5.1    
1 1 1 20 24 9  o 7.586000       1.316000      534.6309      146.8  
1 1 1 20 24 10 o 6.147000       1.304000      437.3615      -163.3 
1 1 1 20 24 11 o 39.67000       1.672000      807.5991      -89.9  
1 1 1 20 24 12 o 12.69000       1.155000      709.8840      45.0   
1 1 1 20 24 13 o 27.56000       1.271000      839.6878      14.5   
1 1 1 20 24 14 o 26.25000       1.972000      1007.530      -105.4 
1 1 1 20 24 15 o 2.883000       1.346000      476.8789      -24.3  
1 1 1 20 24 16 o 5.738000       1.123000      440.5444      -22.7  
1 1 1 20 24 17 o 7.086000       1.118000      435.8983      120.3  
1 1 1 20 24 18 o 17.26000       1.201000      651.7307      123.6  
1 1 1 20 24 19 o 4.292000       1.299000      255.5112      -0.3   
1 1 1 20 24 20 o -1.339000      1.289000      183.1310      -118.5 
1 1 1 20 24 21 o 5.635000       0.9891000     367.8068      132.4  
1 1 1 20 24 22 o 1.999000       0.9818000     191.6841      43.3   
1 1 1 20 24 23 o 8.901000       1.097000      401.8409      -71.2  
1 1 1 20 24 24 o 18.75000       1.238000      647.3235      -14.3  
1 1 1 20 24 25 o 8.120000       1.138000      428.1805      137.7  
1 1 1 20 24 26 o 2.797000       1.082000      242.2808      100.3  
1 1 1 20 24 27 o 1.125000       1.023000      271.8171      64.9   
1 1 1 20 24 28 o 0.1209000      1.040000      220.4781      -150.0 
1 1 1 20 24 29 o 8.656000       1.117000      551.0743      -28.5  
1 1 1 20 24 30 o 19.68000       1.412000      881.8253      78.4   
1 1 1 20 24 31 o 20.52000       1.449000      613.6434      -86.1  
1 1 1 20 24 32 o 1.327000       1.186000      293.1761      55.0   
1 1 1 20 24 33 f 12.03000       1.214000      532.6885      176.4  
1 1 1 20 24 34 o 5.922000       1.374000      307.4485      17.2   
1 1 1 20 24 35 o 13.99000       1.347000      653.5837      -60.8  
1 1 1 20 24 36 o 2.490000       1.129000      269.0491      20.0   
1 1 1 20 24 37 o 6.357000       1.166000      400.5813      -171.1 
1 1 1 20 24 38 o 4.584000       1.174000      334.1611      -111.1 
1 1 1 20 24 39 o 5.520000       1.187000      381.2205      -170.7 
1 1 1 20 24 40 o 6.459000       1.208000      450.6569      163.2  
1 1 1 20 24 41 o 5.300000       1.241000      103.1946      142.9  
1 1 1 20 24 42 o 3.000000       1.235000      177.5008      -81.1  
1 1 1 20 24 43 o 2.039000       1.234000      247.8580      -176.7 
1 1 1 20 24 44 o 8.614000       1.298000      407.1131      0.5    
1 1 1 20 24 45 o 10.41000       1.349000      549.5053      -19.6  
1 1 1 20 24 46 o 1.550000       1.294000      187.4269      -174.4 
1 1 1 20 24 47 o 2.617000       1.358000      248.4010      -91.7  
1 1 1 20 24 48 o 4.686000       1.571000      179.5497      -11.9  
1 1 1 20 24 49 o 4.929000       1.455000      ?             ?      
1 1 1 20 24 50 o 9.762000       1.518000      ?             ?      
1 1 1 20 24 51 o 8.776000       1.592000      ?             ?      
1 1 1 20 24 52 o 4.520000       1.381000      ?             ?      
1 1 1 20 24 53 o 0.6073000      1.234000      ?             ?      
1 1 1 20 24 54 o 8.991000       1.436000      ?             ?      
1 1 1 20 24 55 o -0.7621000     1.436000      ?             ?      
1 1 1 20 24 56 o 3.548000       1.352000      ?             ?      
1 1 1 20 24 57 o 6.615000       1.273000      ?             ?      
1 1 1 20 24 58 o 1.038000       1.213000      ?             ?      
1 1 1 20 24 59 o 1.821000       1.334000      ?             ?      
1 1 1 20 24 60 o -0.2678000     1.237000      ?             ?      
1 1 1 20 24 61 o 7.174000       1.424000      ?             ?      
1 1 1 20 24 62 o 0.5725000      1.416000      ?             ?      
1 1 1 20 24 63 o 1.522000       1.667000      ?             ?      
1 1 1 20 24 64 o 2.848000       1.650000      ?             ?      
1 1 1 20 24 65 o 3.021000       1.411000      ?             ?      
1 1 1 20 24 66 o -1.490000      1.458000      ?             ?      
1 1 1 20 25 0  o 11.53000       1.389000      587.9355      180.0  
1 1 1 20 25 1  o 9.781000       1.183000      571.5796      38.6   
1 1 1 20 25 2  o 6.546000       0.9991000     238.8241      15.4   
1 1 1 20 25 3  o 2.964000       1.068000      247.5361      39.1   
1 1 1 20 25 4  o 12.49000       1.199000      625.7766      -9.8   
1 1 1 20 25 5  o 30.15000       1.308000      847.9964      -100.4 
1 1 1 20 25 6  o 5.409000       1.187000      355.7103      -169.3 
1 1 1 20 25 7  o 12.14000       1.191000      516.4719      -155.1 
1 1 1 20 25 8  o 42.66000       1.759000      827.7201      132.2  
1 1 1 20 25 9  o 6.469000       1.256000      380.2321      -73.1  
1 1 1 20 25 10 o 23.78000       1.487000      742.9963      -26.3  
1 1 1 20 25 11 o 19.58000       1.305000      707.6230      12.4   
1 1 1 20 25 12 o 1.863000       1.015000      257.5700      -164.2 
1 1 1 20 25 13 o 7.022000       1.061000      491.4872      88.5   
1 1 1 20 25 14 o 2.330000       1.061000      310.7048      53.6   
1 1 1 20 25 15 o 5.280000       1.136000      335.2543      127.7  
1 1 1 20 25 16 o 6.481000       1.112000      436.1999      -161.5 
1 1 1 20 25 17 o 2.509000       1.288000      225.1010      66.2   
1 1 1 20 25 18 o 1.792000       1.284000      241.3242      -131.1 
1 1 1 20 25 19 o 0.2977000      1.059000      263.7201      -18.4  
1 1 1 20 25 20 o -0.6996000     1.049000      209.3652      -150.4 
1 1 1 20 25 21 o -1.208000      0.9954000     151.4741      150.6  
1 1 1 20 25 22 o 4.072000       1.101000      364.8224      167.6  
1 1 1 20 25 23 o 1.651000       1.179000      25.14192      126.8  
1 1 1 20 25 24 o 8.925000       1.097000      345.6167      -2.7   
1 1 1 20 25 25 o 21.42000       1.329000      709.0569      167.7  
1 1 1 20 25 26 o -0.9162000     1.142000      107.8961      -101.3 
1 1 1 20 25 27 o 1.298000       1.139000      218.3319      59.8   
1 1 1 20 25 28 o 14.62000       1.214000      554.5087      -88.9  
1 1 1 20 25 29 o 0.7062000      1.102000      172.7699      123.6  
1 1 1 20 25 30 o 2.972000       1.099000      366.6753      9.0    
1 1 1 20 25 31 o 3.256000       1.098000      306.4811      -109.5 
1 1 1 20 25 32 o 16.52000       1.267000      560.2664      -73.3  
1 1 1 20 25 33 o 4.426000       1.126000      344.4399      -10.9  
1 1 1 20 25 34 o 0.3847000      1.144000      79.64380      24.6   
1 1 1 20 25 35 o 9.803000       1.412000      406.4323      99.2   
1 1 1 20 25 36 o 3.931000       1.286000      245.5222      -75.9  
1 1 1 20 25 37 o 2.567000       1.144000      214.3676      -28.8  
1 1 1 20 25 38 o 3.560000       1.162000      242.9055      -95.6  
1 1 1 20 25 39 o 2.116000       1.161000      265.5396      69.2   
1 1 1 20 25 40 o 6.545000       1.203000      302.2940      135.4  
1 1 1 20 25 41 o 16.47000       1.339000      677.7083      166.7  
1 1 1 20 25 42 o 2.370000       1.243000      151.6742      -44.7  
1 1 1 20 25 43 o 1.389000       1.257000      35.87906      -60.2  
1 1 1 20 25 44 o 3.556000       1.290000      225.7219      -49.7  
1 1 1 20 25 45 o 8.340000       1.322000      439.4009      155.5  
1 1 1 20 25 46 o 2.985000       1.290000      300.9871      37.4   
1 1 1 20 25 47 o 10.17000       1.469000      525.3565      -97.9  
1 1 1 20 25 48 o 3.428000       1.561000      ?             ?      
1 1 1 20 25 49 o 4.973000       1.350000      ?             ?      
1 1 1 20 25 50 o 3.139000       1.284000      ?             ?      
1 1 1 20 25 51 o 8.838000       1.479000      ?             ?      
1 1 1 20 25 52 o 3.554000       1.388000      ?             ?      
1 1 1 20 25 53 o 9.745000       1.411000      ?             ?      
1 1 1 20 25 54 o 0.2438000      1.209000      ?             ?      
1 1 1 20 25 55 o 1.754000       1.327000      ?             ?      
1 1 1 20 25 56 o 3.504000       1.466000      ?             ?      
1 1 1 20 25 57 o 3.138000       1.347000      ?             ?      
1 1 1 20 25 58 o -1.402000      1.284000      ?             ?      
1 1 1 20 25 59 o -1.212000      1.321000      ?             ?      
1 1 1 20 25 60 o 2.543000       1.254000      ?             ?      
1 1 1 20 25 61 o 7.589000       1.329000      ?             ?      
1 1 1 20 25 62 o 0.6932000      1.606000      ?             ?      
1 1 1 20 25 63 o -0.5903000E-01 1.621000      ?             ?      
1 1 1 20 25 64 o 2.141000       1.446000      ?             ?      
1 1 1 20 25 65 o 0.6953000      1.278000      ?             ?      
1 1 1 20 25 66 o 1.194000       1.278000      ?             ?      
1 1 1 20 26 0  o -0.2826000     1.375000      363.0969      -0.0   
1 1 1 20 26 1  o 4.453000       0.9800000     367.5253      114.7  
1 1 1 20 26 2  o 15.73000       1.083000      672.3198      -167.7 
1 1 1 20 26 3  o 0.5192000      1.034000      240.9475      59.2   
1 1 1 20 26 4  o 50.70000       1.742000      1103.387      -69.5  
1 1 1 20 26 5  o 1.075000       0.9967000     326.7466      -89.6  
1 1 1 20 26 6  o 2.710000       0.9524000     194.7434      -18.9  
1 1 1 20 26 7  o 4.814000       1.109000      427.4246      91.5   
1 1 1 20 26 8  o 8.201000       1.382000      424.2779      -124.3 
1 1 1 20 26 9  o 4.558000       1.289000      384.2655      -136.2 
1 1 1 20 26 10 o 9.283000       1.283000      446.9394      -71.2  
1 1 1 20 26 11 o 7.980000       1.066000      443.0036      74.1   
1 1 1 20 26 12 o 2.210000       1.011000      305.1440      128.3  
1 1 1 20 26 13 o 5.371000       1.060000      301.8430      -112.3 
1 1 1 20 26 14 o 15.50000       1.134000      680.7225      -104.8 
1 1 1 20 26 15 o 1.781000       1.068000      303.2847      32.4   
1 1 1 20 26 16 o 6.784000       1.125000      506.5754      -145.8 
1 1 1 20 26 17 o 4.739000       1.116000      306.0102      -43.4  
1 1 1 20 26 18 o 11.41000       1.211000      518.4384      -61.4  
1 1 1 20 26 19 o 1.470000       1.102000      218.1450      68.9   
1 1 1 20 26 20 o 1.066000       1.276000      189.8190      18.8   
1 1 1 20 26 21 o 24.12000       1.500000      728.1808      -56.3  
1 1 1 20 26 22 o 15.23000       1.113000      606.9902      16.3   
1 1 1 20 26 23 o 0.9005000      1.035000      125.3566      -101.3 
1 1 1 20 26 24 o 3.986000       1.078000      208.1621      -171.9 
1 1 1 20 26 25 o 1.501000       1.172000      127.5906      -150.6 
1 1 1 20 26 26 o 8.525000       1.265000      453.2899      -10.8  
1 1 1 20 26 27 o 5.010000       1.146000      295.9629      10.9   
1 1 1 20 26 28 o 3.225000       1.105000      301.5978      58.0   
1 1 1 20 26 29 o 2.674000       1.205000      235.2126      14.9   
1 1 1 20 26 30 o -1.296000      1.112000      144.2553      -172.5 
1 1 1 20 26 31 o 2.277000       1.086000      234.6193      -23.9  
1 1 1 20 26 32 o -1.723000      0.9924000     19.41165      -80.5  
1 1 1 20 26 33 o 1.972000       1.077000      154.2243      -94.6  
1 1 1 20 26 34 o 3.425000       1.128000      300.2039      -30.7  
1 1 1 20 26 35 o 3.706000       1.297000      367.5050      -83.1  
1 1 1 20 26 36 o 5.697000       1.312000      355.3279      123.9  
1 1 1 20 26 37 o 14.48000       1.429000      546.9821      -121.8 
1 1 1 20 26 38 o 5.616000       1.206000      286.9282      -59.2  
1 1 1 20 26 39 o 1.564000       1.168000      247.8827      114.7  
1 1 1 20 26 40 o 2.496000       1.189000      239.1717      163.6  
1 1 1 20 26 41 o 1.128000       1.233000      318.5422      -120.5 
1 1 1 20 26 42 o 29.79000       1.538000      745.8163      -86.2  
1 1 1 20 26 43 o 3.774000       1.288000      260.0136      7.9    
1 1 1 20 26 44 o 1.634000       1.281000      269.5458      -9.4   
1 1 1 20 26 45 o 2.291000       1.275000      184.8891      -10.4  
1 1 1 20 26 46 o 2.696000       1.337000      387.3171      -109.1 
1 1 1 20 26 47 o 3.764000       1.556000      218.0370      3.5    
1 1 1 20 26 48 o 0.8084000      1.404000      ?             ?      
1 1 1 20 26 49 o -1.377000      1.248000      ?             ?      
1 1 1 20 26 50 o -1.065000      1.242000      ?             ?      
1 1 1 20 26 51 o 3.918000       1.442000      ?             ?      
1 1 1 20 26 52 o 2.072000       1.475000      ?             ?      
1 1 1 20 26 53 o -0.4239000     1.314000      ?             ?      
1 1 1 20 26 54 o 0.1377000      1.203000      ?             ?      
1 1 1 20 26 55 o 0.7295000      1.448000      ?             ?      
1 1 1 20 26 56 o 2.745000       1.351000      ?             ?      
1 1 1 20 26 57 o 0.3810000      1.435000      ?             ?      
1 1 1 20 26 58 o 1.980000       1.223000      ?             ?      
1 1 1 20 26 59 o -0.6588000     1.204000      ?             ?      
1 1 1 20 26 60 o -0.5497000     1.343000      ?             ?      
1 1 1 20 26 61 o -0.9481000     1.697000      ?             ?      
1 1 1 20 26 62 o -0.8510000     1.781000      ?             ?      
1 1 1 20 26 63 o 1.093000       1.432000      ?             ?      
1 1 1 20 26 64 o 2.091000       1.291000      ?             ?      
1 1 1 20 26 65 o -0.4901000     1.287000      ?             ?      
1 1 1 20 27 0  o -3.329000      1.394000      194.1331      -0.0   
1 1 1 20 27 1  o 5.653000       1.022000      358.7633      -18.4  
1 1 1 20 27 2  o 2.132000       1.018000      253.7454      114.7  
1 1 1 20 27 3  o 7.902000       1.042000      572.5007      -25.3  
1 1 1 20 27 4  o 3.331000       0.9673000     367.9373      -32.2  
1 1 1 20 27 5  o 2.821000       0.9631000     323.2132      121.2  
1 1 1 20 27 6  o -1.128000      0.9344000     262.1858      -123.0 
1 1 1 20 27 7  o 3.696000       1.241000      312.3027      73.3   
1 1 1 20 27 8  o 7.197000       1.367000      387.4127      -60.3  
1 1 1 20 27 9  o 12.65000       1.364000      484.2769      -29.2  
1 1 1 20 27 10 o 1.037000       1.092000      324.9863      140.3  
1 1 1 20 27 11 o 6.990000       1.042000      421.0237      -31.7  
1 1 1 20 27 12 o -0.5836000     1.002000      174.9615      75.6   
1 1 1 20 27 13 o 6.656000       1.055000      529.8503      -9.5   
1 1 1 20 27 14 o 4.190000       1.038000      309.0228      -39.8  
1 1 1 20 27 15 o 1.301000       1.049000      112.4408      170.3  
1 1 1 20 27 16 o -0.7648000     1.047000      91.66007      114.8  
1 1 1 20 27 17 o 5.428000       1.120000      376.1935      47.2   
1 1 1 20 27 18 o 0.3111000      1.082000      143.3002      -33.9  
1 1 1 20 27 19 o 9.883000       1.162000      411.5019      41.1   
1 1 1 20 27 20 o 2.341000       1.111000      168.8960      74.5   
1 1 1 20 27 21 o 1.887000       1.089000      32.31085      148.3  
1 1 1 20 27 22 o 4.291000       1.104000      295.8170      -137.9 
1 1 1 20 27 23 o 7.834000       1.252000      495.9440      53.5   
1 1 1 20 27 24 o 1.394000       1.169000      182.1192      -90.4  
1 1 1 20 27 25 o 20.61000       1.283000      681.3892      167.0  
1 1 1 20 27 26 o 0.1117000      1.100000      271.2198      123.4  
1 1 1 20 27 27 o -1.148000      1.171000      137.9919      -126.8 
1 1 1 20 27 28 o 1.015000       1.224000      172.9563      -117.0 
1 1 1 20 27 29 o 1.687000       1.218000      235.2470      64.0   
1 1 1 20 27 30 o 3.773000       1.045000      320.2185      -62.9  
1 1 1 20 27 31 o 2.761000       1.058000      251.4886      -76.0  
1 1 1 20 27 32 o 5.744000       1.051000      364.5105      -164.3 
1 1 1 20 27 33 o -1.129000      1.034000      156.4789      -136.9 
1 1 1 20 27 34 o 0.9810000      1.114000      47.17087      -2.1   
1 1 1 20 27 35 o 0.3029000      1.142000      126.8394      77.4   
1 1 1 20 27 36 o -1.491000      1.386000      140.2125      14.6   
1 1 1 20 27 37 o 6.770000       1.371000      337.8135      133.9  
1 1 1 20 27 38 o 5.505000       1.246000      235.8300      -131.9 
1 1 1 20 27 39 o 4.588000       1.219000      278.5584      47.1   
1 1 1 20 27 40 o 1.927000       1.269000      122.4619      -124.9 
1 1 1 20 27 41 o 0.9544000      1.219000      13.35589      -81.7  
1 1 1 20 27 42 o 14.91000       1.386000      612.9908      -20.8  
1 1 1 20 27 43 o 3.475000       1.302000      226.6786      -12.7  
1 1 1 20 27 44 o 1.843000       1.279000      216.9110      -12.7  
1 1 1 20 27 45 o 4.204000       1.289000      257.6039      30.5   
1 1 1 20 27 46 o 3.213000       1.422000      370.7402      71.5   
1 1 1 20 27 47 o 4.892000       1.596000      ?             ?      
1 1 1 20 27 48 o 2.889000       1.319000      ?             ?      
1 1 1 20 27 49 o 1.159000       1.239000      ?             ?      
1 1 1 20 27 50 o 1.595000       1.242000      ?             ?      
1 1 1 20 27 51 o 1.275000       1.375000      ?             ?      
1 1 1 20 27 52 o 2.064000       1.397000      ?             ?      
1 1 1 20 27 53 o 1.244000       1.435000      ?             ?      
1 1 1 20 27 54 o 4.834000       1.357000      ?             ?      
1 1 1 20 27 55 o 3.194000       1.339000      ?             ?      
1 1 1 20 27 56 o 0.1089000      1.322000      ?             ?      
1 1 1 20 27 57 o 1.189000       1.449000      ?             ?      
1 1 1 20 27 58 o 1.198000       1.437000      ?             ?      
1 1 1 20 27 59 o -1.517000      1.315000      ?             ?      
1 1 1 20 27 60 o 5.430000       1.437000      ?             ?      
1 1 1 20 27 61 o 1.930000       1.418000      ?             ?      
1 1 1 20 27 62 o 3.826000       1.436000      ?             ?      
1 1 1 20 27 63 o 0.9109000      1.320000      ?             ?      
1 1 1 20 27 64 o 1.488000       1.280000      ?             ?      
1 1 1 20 27 65 o 1.146000       1.305000      ?             ?      
1 1 1 20 28 0  o 1.274000       1.429000      51.99333      0.0    
1 1 1 20 28 1  o 5.576000       1.162000      349.4086      169.6  
1 1 1 20 28 2  o 1.001000       1.020000      123.5766      -26.1  
1 1 1 20 28 3  o 5.205000       0.9833000     227.1352      50.4   
1 1 1 20 28 4  o 4.948000       0.9666000     477.0964      -118.9 
1 1 1 20 28 5  o 0.1532000      0.8762000     108.9911      -114.2 
1 1 1 20 28 6  o 6.634000       0.9975000     465.6631      87.8   
1 1 1 20 28 7  o 4.084000       1.280000      213.2140      -16.6  
1 1 1 20 28 8  o 16.60000       1.399000      508.4527      -145.2 
1 1 1 20 28 9  o 1.788000       1.270000      243.1719      145.4  
1 1 1 20 28 10 o 2.011000       1.052000      123.3945      67.3   
1 1 1 20 28 11 o 1.875000       1.014000      180.1342      -171.2 
1 1 1 20 28 12 o 0.1637000E-01  1.032000      79.55230      155.1  
1 1 1 20 28 13 o 3.817000       1.021000      227.3995      -83.3  
1 1 1 20 28 14 o -0.7920000E-01 0.9915000     11.80261      27.6   
1 1 1 20 28 15 o 9.059000       1.054000      378.0353      86.0   
1 1 1 20 28 16 o 3.679000       1.093000      386.1223      -138.3 
1 1 1 20 28 17 o 3.813000       1.096000      204.7651      55.0   
1 1 1 20 28 18 o 0.5680000      1.057000      232.8052      134.5  
1 1 1 20 28 19 o 3.995000       1.072000      130.7181      26.4   
1 1 1 20 28 20 o 4.222000       1.061000      370.6585      -40.4  
1 1 1 20 28 21 o 1.465000       1.063000      165.8632      -45.1  
1 1 1 20 28 22 o 6.150000       1.137000      291.6993      133.3  
1 1 1 20 28 23 o 3.012000       1.154000      299.6975      -95.0  
1 1 1 20 28 24 o 2.164000       1.089000      200.1075      -85.1  
1 1 1 20 28 25 o 2.029000       1.079000      390.2808      -39.1  
1 1 1 20 28 26 o 0.9417000      1.164000      87.57495      -77.3  
1 1 1 20 28 27 o 5.872000       1.214000      256.3987      134.8  
1 1 1 20 28 28 o 3.691000       1.307000      322.1326      15.1   
1 1 1 20 28 29 o 2.343000       1.242000      270.8048      -53.7  
1 1 1 20 28 30 o 0.3055000      1.068000      92.77611      46.2   
1 1 1 20 28 31 o 0.4078000      0.9899000     143.9446      113.0  
1 1 1 20 28 32 o 1.088000       1.039000      126.0699      87.9   
1 1 1 20 28 33 o 7.181000       1.072000      433.9468      -78.1  
1 1 1 20 28 34 o 0.9267000      1.043000      123.1115      3.8    
1 1 1 20 28 35 o 5.444000       1.232000      263.0984      -66.1  
1 1 1 20 28 36 o 7.226000       1.291000      398.0594      -132.7 
1 1 1 20 28 37 o -1.082000      1.398000      133.7584      160.0  
1 1 1 20 28 38 o 0.1598000      1.308000      217.0972      16.4   
1 1 1 20 28 39 o -0.2021000     1.171000      113.5581      -111.9 
1 1 1 20 28 40 o 0.9968000      1.171000      121.0143      151.6  
1 1 1 20 28 41 o 0.2686000E-01  1.226000      193.8452      -27.2  
1 1 1 20 28 42 o 0.6332000      1.296000      205.2044      8.8    
1 1 1 20 28 43 o 12.36000       1.374000      586.5726      43.0   
1 1 1 20 28 44 o 3.358000       1.288000      312.3155      123.2  
1 1 1 20 28 45 o 3.419000       1.323000      253.7151      95.6   
1 1 1 20 28 46 o 5.602000       1.572000      ?             ?      
1 1 1 20 28 47 o 5.561000       1.451000      ?             ?      
1 1 1 20 28 48 o 0.9727000      1.237000      ?             ?      
1 1 1 20 28 49 o 1.807000       1.238000      ?             ?      
1 1 1 20 28 50 o 1.793000       1.246000      ?             ?      
1 1 1 20 28 51 o 0.2762000      1.317000      ?             ?      
1 1 1 20 28 52 o -1.027000      1.359000      ?             ?      
1 1 1 20 28 53 o -0.7678000     1.655000      ?             ?      
1 1 1 20 28 54 o 1.159000       1.320000      ?             ?      
1 1 1 20 28 55 o 0.4391000      1.186000      ?             ?      
1 1 1 20 28 56 o 1.124000       1.315000      ?             ?      
1 1 1 20 28 57 o 0.8109000      1.547000      ?             ?      
1 1 1 20 28 58 o 1.726000       1.762000      ?             ?      
1 1 1 20 28 59 o 0.4842000      1.241000      ?             ?      
1 1 1 20 28 60 o -1.638000      1.373000      ?             ?      
1 1 1 20 28 61 o -2.984000      1.532000      ?             ?      
1 1 1 20 28 62 o 0.9068000      1.390000      ?             ?      
1 1 1 20 28 63 o 1.294000       1.255000      ?             ?      
1 1 1 20 28 64 o 1.529000       1.286000      ?             ?      
1 1 1 20 29 0  o 2.220000       1.519000      347.1970      -0.0   
1 1 1 20 29 1  o 5.111000       1.211000      270.5784      -66.6  
1 1 1 20 29 2  o 0.5337000      1.098000      114.1124      39.2   
1 1 1 20 29 3  o 7.710000       1.014000      330.5414      8.2    
1 1 1 20 29 4  o 4.746000       0.9064000     367.0983      -149.8 
1 1 1 20 29 5  o 4.192000       0.9513000     199.0394      -143.2 
1 1 1 20 29 6  o 4.079000       0.9557000     282.5736      54.6   
1 1 1 20 29 7  o 3.647000       1.247000      186.7719      -48.5  
1 1 1 20 29 8  o 1.935000       1.227000      150.1406      -56.2  
1 1 1 20 29 9  o 0.4809000      1.051000      122.2609      -61.1  
1 1 1 20 29 10 o 0.7968000      1.060000      131.5730      28.1   
1 1 1 20 29 11 o 7.354000       1.125000      321.7652      -70.5  
1 1 1 20 29 12 o -1.566000      0.9933000     53.25077      175.3  
1 1 1 20 29 13 o 5.130000       1.034000      218.5453      -108.0 
1 1 1 20 29 14 o -0.2571000     1.002000      58.40859      39.0   
1 1 1 20 29 15 o 0.9264000      1.005000      168.6839      -70.5  
1 1 1 20 29 16 o 3.642000       1.128000      186.5691      -178.0 
1 1 1 20 29 17 o 1.290000       1.086000      153.8235      -55.1  
1 1 1 20 29 18 o -0.6978000     1.070000      104.5953      -91.4  
1 1 1 20 29 19 o 3.156000       1.089000      187.5706      -143.4 
1 1 1 20 29 20 o 2.096000       1.053000      125.8107      7.8    
1 1 1 20 29 21 o 2.444000       1.054000      188.0668      -179.4 
1 1 1 20 29 22 o 1.230000       1.059000      189.4970      -41.6  
1 1 1 20 29 23 o -0.4682000     1.106000      58.40697      -36.8  
1 1 1 20 29 24 o 1.695000       1.279000      143.7197      -103.1 
1 1 1 20 29 25 o 1.104000       1.114000      139.9084      131.9  
1 1 1 20 29 26 o -0.5403000     1.192000      137.1164      -35.7  
1 1 1 20 29 27 o -0.7583000     1.290000      148.7751      -153.4 
1 1 1 20 29 28 o -2.396000      1.249000      90.91082      143.3  
1 1 1 20 29 29 o -0.3140000     1.153000      107.7555      -21.0  
1 1 1 20 29 30 o 2.038000       1.096000      131.6606      -111.0 
1 1 1 20 29 31 o 1.575000       0.9624000     202.4009      -142.6 
1 1 1 20 29 32 o 1.664000       0.9623000     149.9349      42.1   
1 1 1 20 29 33 o 2.717000       1.007000      242.9377      117.6  
1 1 1 20 29 34 o 7.157000       1.116000      388.3230      11.4   
1 1 1 20 29 35 o 0.9420000      1.170000      110.5576      132.7  
1 1 1 20 29 36 o -0.5468000     1.139000      62.53344      -68.7  
1 1 1 20 29 37 o 1.343000       1.268000      118.2824      -126.9 
1 1 1 20 29 38 o 0.1450000      1.298000      168.4833      -111.9 
1 1 1 20 29 39 o 0.9597000      1.291000      155.0397      61.4   
1 1 1 20 29 40 o -1.324000      1.165000      99.12370      -134.1 
1 1 1 20 29 41 o 6.797000       1.279000      459.9249      36.4   
1 1 1 20 29 42 o 1.855000       1.281000      137.9984      -35.1  
1 1 1 20 29 43 o -0.4823000E-01 1.261000      54.60616      -4.4   
1 1 1 20 29 44 o 4.070000       1.321000      201.2213      98.0   
1 1 1 20 29 45 o 0.1815000      1.385000      ?             ?      
1 1 1 20 29 46 o 1.092000       1.513000      ?             ?      
1 1 1 20 29 47 o 2.298000       1.303000      ?             ?      
1 1 1 20 29 48 o 2.425000       1.263000      ?             ?      
1 1 1 20 29 49 o 4.252000       1.392000      ?             ?      
1 1 1 20 29 50 o 2.104000       1.341000      ?             ?      
1 1 1 20 29 51 o -2.494000      1.304000      ?             ?      
1 1 1 20 29 52 o 2.964000       1.367000      ?             ?      
1 1 1 20 29 53 o -0.4496000     1.424000      ?             ?      
1 1 1 20 29 54 o -0.3724000     1.286000      ?             ?      
1 1 1 20 29 55 o -0.8561000     1.279000      ?             ?      
1 1 1 20 29 56 o -0.2225000     1.344000      ?             ?      
1 1 1 20 29 57 o 1.585000       1.340000      ?             ?      
1 1 1 20 29 58 o -0.7527000     1.454000      ?             ?      
1 1 1 20 29 59 o -0.4786000     1.360000      ?             ?      
1 1 1 20 29 60 o 0.1353000      1.372000      ?             ?      
1 1 1 20 29 61 o -0.4069000     1.392000      ?             ?      
1 1 1 20 29 62 o -1.207000      1.545000      ?             ?      
1 1 1 20 29 63 o 1.400000       1.253000      ?             ?      
1 1 1 20 29 64 o 1.689000       1.523000      ?             ?      
1 1 1 20 30 0  o 10.69000       2.088000      295.6206      180.0  
1 1 1 20 30 1  o 1.258000       1.177000      198.3881      5.5    
1 1 1 20 30 2  o 7.002000       1.178000      366.9370      20.8   
1 1 1 20 30 3  o -0.9434000     1.079000      101.9843      -107.9 
1 1 1 20 30 4  o 2.995000       0.8908000     226.7015      -78.2  
1 1 1 20 30 5  o 1.600000       0.9395000     180.6033      129.9  
1 1 1 20 30 6  o 2.621000       0.9957000     154.5249      63.9   
1 1 1 20 30 7  o 5.150000       1.262000      177.9554      -159.5 
1 1 1 20 30 8  o 1.023000       1.206000      18.76765      125.8  
1 1 1 20 30 9  o 2.861000       1.061000      133.3771      123.8  
1 1 1 20 30 10 o -0.5068000     1.064000      40.25849      3.7    
1 1 1 20 30 11 o 0.8610000      1.064000      169.7625      -18.6  
1 1 1 20 30 12 o -0.3996000     1.063000      45.10157      -43.3  
1 1 1 20 30 13 o 1.517000       1.029000      187.1329      143.6  
1 1 1 20 30 14 o -0.8325000     0.9812000     131.5760      0.1    
1 1 1 20 30 15 o -0.5995000     1.024000      70.30745      -93.3  
1 1 1 20 30 16 o 2.836000       1.143000      155.9900      44.3   
1 1 1 20 30 17 o 0.5946000E-01  1.088000      184.6556      33.2   
1 1 1 20 30 18 o 2.542000       1.109000      220.3184      -44.3  
1 1 1 20 30 19 o 1.038000       1.100000      150.6283      -34.8  
1 1 1 20 30 20 o 2.152000       1.061000      138.6390      -67.2  
1 1 1 20 30 21 o -0.6325000     1.023000      231.3525      141.9  
1 1 1 20 30 22 o -1.175000      1.025000      88.00991      38.2   
1 1 1 20 30 23 o 2.337000       1.109000      159.9755      -75.1  
1 1 1 20 30 24 o 2.492000       1.259000      223.5908      -52.7  
1 1 1 20 30 25 o 1.970000       1.652000      68.15990      -169.1 
1 1 1 20 30 26 o 0.6232000      1.205000      132.7848      -65.7  
1 1 1 20 30 27 o -2.420000      1.189000      94.63690      -24.3  
1 1 1 20 30 28 o -1.854000      1.385000      32.31572      80.7   
1 1 1 20 30 29 o -1.239000      1.115000      44.02721      40.1   
1 1 1 20 30 30 o 0.6109000      1.010000      89.58870      43.5   
1 1 1 20 30 31 o 2.543000       1.042000      86.31839      172.9  
1 1 1 20 30 32 o 0.4991000      1.010000      110.2504      3.5    
1 1 1 20 30 33 o 0.4938000      1.005000      22.02272      -68.9  
1 1 1 20 30 34 o 1.175000       0.9974000     78.98052      -58.5  
1 1 1 20 30 35 o 0.3139000      1.020000      110.9709      9.4    
1 1 1 20 30 36 o -0.6909000     1.143000      128.0124      -9.9   
1 1 1 20 30 37 o 1.117000       1.208000      226.8602      48.2   
1 1 1 20 30 38 o 0.1890000      1.330000      88.99947      -148.8 
1 1 1 20 30 39 o -1.282000      1.243000      68.65990      172.5  
1 1 1 20 30 40 o 0.3296000      1.275000      107.4043      75.6   
1 1 1 20 30 41 o 5.194000       1.329000      237.0370      14.2   
1 1 1 20 30 42 o 1.060000       1.318000      232.7882      120.9  
1 1 1 20 30 43 o 1.753000       1.236000      181.9071      -5.5   
1 1 1 20 30 44 o 6.396000       1.323000      ?             ?      
1 1 1 20 30 45 o 4.478000       1.509000      ?             ?      
1 1 1 20 30 46 o 2.093000       1.575000      ?             ?      
1 1 1 20 30 47 o 1.443000       1.386000      ?             ?      
1 1 1 20 30 48 o 0.4088000      1.353000      ?             ?      
1 1 1 20 30 49 o 0.4606000      1.333000      ?             ?      
1 1 1 20 30 50 o 1.793000       1.190000      ?             ?      
1 1 1 20 30 51 o 2.287000       1.189000      ?             ?      
1 1 1 20 30 52 o 1.155000       1.297000      ?             ?      
1 1 1 20 30 53 o 3.888000       1.427000      ?             ?      
1 1 1 20 30 54 o 1.943000       1.417000      ?             ?      
1 1 1 20 30 55 o 0.2015000      1.280000      ?             ?      
1 1 1 20 30 56 o 0.8997000      1.192000      ?             ?      
1 1 1 20 30 57 o 2.314000       1.213000      ?             ?      
1 1 1 20 30 58 o 0.6969000      1.348000      ?             ?      
1 1 1 20 30 59 o 2.648000       1.748000      ?             ?      
1 1 1 20 30 60 o -1.625000      1.618000      ?             ?      
1 1 1 20 30 61 o -2.008000      1.837000      ?             ?      
1 1 1 20 30 62 o 0.6352000      1.243000      ?             ?      
1 1 1 20 30 63 o 2.009000       1.278000      ?             ?      
1 1 1 20 31 0  o -1.733000      1.908000      11.56598      -0.0   
1 1 1 20 31 1  o 0.1973000      1.219000      72.60530      -56.9  
1 1 1 20 31 2  o -0.3992000     1.137000      82.19456      72.8   
1 1 1 20 31 3  o 0.7186000      0.9312000     93.95805      -19.5  
1 1 1 20 31 4  o 1.614000       0.8862000     158.5773      143.3  
1 1 1 20 31 5  o 0.9368000      0.9425000     77.59612      -151.0 
1 1 1 20 31 6  o 1.444000       1.002000      109.8311      -67.7  
1 1 1 20 31 7  o 1.180000       0.9639000     28.99453      -130.8 
1 1 1 20 31 8  o 0.9411000      1.168000      34.40149      130.5  
1 1 1 20 31 9  o -0.6972000     1.028000      7.994028      31.5   
1 1 1 20 31 10 o -0.3553000     1.021000      33.27604      -155.9 
1 1 1 20 31 11 o 2.760000       1.065000      61.45516      115.1  
1 1 1 20 31 12 o 1.336000       1.041000      140.0676      117.8  
1 1 1 20 31 13 o 1.089000       1.058000      49.92323      -100.2 
1 1 1 20 31 14 o 1.574000       0.9973000     82.24901      -95.2  
1 1 1 20 31 15 o 0.9149000      1.013000      113.9863      -128.9 
1 1 1 20 31 16 o -0.8942000     1.091000      66.89709      37.2   
1 1 1 20 31 17 o 1.201000       1.105000      88.05645      21.3   
1 1 1 20 31 18 o -1.485000      1.071000      164.8730      108.6  
1 1 1 20 31 19 o -0.4618000     1.055000      104.1155      20.9   
1 1 1 20 31 20 o 1.243000       1.037000      96.54064      -45.3  
1 1 1 20 31 21 o -0.2063000     1.021000      135.1854      149.4  
1 1 1 20 31 22 o 2.389000       1.024000      200.4426      -68.5  
1 1 1 20 31 23 o -1.210000      1.030000      49.35079      134.7  
1 1 1 20 31 24 o -1.594000      1.120000      66.50050      -125.8 
1 1 1 20 31 25 o 2.057000       1.696000      81.41564      60.0   
1 1 1 20 31 26 o -1.156000      1.728000      12.64354      10.8   
1 1 1 20 31 27 o -1.035000      1.187000      58.06980      -169.3 
1 1 1 20 31 28 o -0.6502000     1.243000      95.19237      59.8   
1 1 1 20 31 29 o -0.2543000     1.263000      116.9373      -122.3 
1 1 1 20 31 30 o -0.6955000     1.030000      115.0283      -142.1 
1 1 1 20 31 31 o 3.132000       1.147000      154.6270      103.0  
1 1 1 20 31 32 o 0.6995000      1.054000      134.2517      37.1   
1 1 1 20 31 33 o 1.885000       1.015000      158.7173      76.0   
1 1 1 20 31 34 o -0.4872000E-01 1.010000      177.7877      29.0   
1 1 1 20 31 35 f 1.342000       1.061000      37.14174      78.3   
1 1 1 20 31 36 o 2.010000       1.099000      65.49609      -144.4 
1 1 1 20 31 37 o -2.067000      1.165000      21.97200      30.9   
1 1 1 20 31 38 o 1.443000       1.188000      35.38596      55.6   
1 1 1 20 31 39 o 0.3358000      1.368000      85.04366      96.5   
1 1 1 20 31 40 o 1.830000       1.363000      62.57118      136.2  
1 1 1 20 31 41 o 1.860000       1.270000      129.8161      78.7   
1 1 1 20 31 42 o 0.3641000      1.208000      144.0574      -177.3 
1 1 1 20 31 43 o -0.2524000     1.233000      ?             ?      
1 1 1 20 31 44 o 2.302000       1.621000      ?             ?      
1 1 1 20 31 45 o 0.5174000E-01  1.630000      ?             ?      
1 1 1 20 31 46 o -1.725000      1.358000      ?             ?      
1 1 1 20 31 47 o 0.6139000      1.308000      ?             ?      
1 1 1 20 31 48 o -0.7568000     1.174000      ?             ?      
1 1 1 20 31 49 o 1.105000       1.189000      ?             ?      
1 1 1 20 31 50 o 0.9921000      1.275000      ?             ?      
1 1 1 20 31 51 o -0.1496000     1.281000      ?             ?      
1 1 1 20 31 52 f -0.6752000     1.309000      ?             ?      
1 1 1 20 31 53 o 0.6118000      1.301000      ?             ?      
1 1 1 20 31 54 o -2.057000      1.392000      ?             ?      
1 1 1 20 31 55 o 0.5442000      1.271000      ?             ?      
1 1 1 20 31 56 o 1.365000       1.190000      ?             ?      
1 1 1 20 31 57 o 0.7811000      1.213000      ?             ?      
1 1 1 20 31 58 o 0.4183000      1.360000      ?             ?      
1 1 1 20 31 59 o -1.121000      1.576000      ?             ?      
1 1 1 20 31 60 o 0.6028000      1.540000      ?             ?      
1 1 1 20 31 61 o 2.387000       1.845000      ?             ?      
1 1 1 20 31 62 o -0.1343000     1.263000      ?             ?      
1 1 1 20 32 0  o 0.8705000      1.601000      159.7574      -0.0   
1 1 1 20 32 1  o -1.622000      1.230000      47.12203      142.7  
1 1 1 20 32 2  o 0.9740000E-02  0.9702000     60.46896      -12.9  
1 1 1 20 32 3  o 0.1028000      0.9471000     41.87420      82.5   
1 1 1 20 32 4  o 0.4752000      1.000000      120.6349      78.4   
1 1 1 20 32 5  o -1.346000      0.9284000     46.47562      -94.3  
1 1 1 20 32 6  o -0.4155000     0.9898000     54.52168      -166.9 
1 1 1 20 32 7  o 0.5346000      0.9685000     24.28196      145.2  
1 1 1 20 32 8  o -0.9485000     0.9907000     56.60925      83.4   
1 1 1 20 32 9  o 0.4422000      0.9824000     37.46125      169.6  
1 1 1 20 32 10 o 1.473000       1.015000      113.8063      -142.5 
1 1 1 20 32 11 o -0.4501000     1.019000      37.49002      -90.6  
1 1 1 20 32 12 o -0.3986000     1.026000      102.5542      101.6  
1 1 1 20 32 13 o -1.747000      1.049000      38.70376      -19.4  
1 1 1 20 32 14 o -0.4689000     1.050000      108.8710      -56.2  
1 1 1 20 32 15 o -3.821000      1.145000      67.77479      -34.0  
1 1 1 20 32 16 o 1.867000       1.085000      168.3839      67.7   
1 1 1 20 32 17 o -0.7563000E-01 1.071000      84.21609      117.7  
1 1 1 20 32 18 o -2.037000      1.045000      41.67155      176.5  
1 1 1 20 32 19 o 0.7810000      1.043000      88.23269      -1.4   
1 1 1 20 32 20 o 0.9289000      1.045000      96.84201      125.3  
1 1 1 20 32 21 o 1.361000       1.057000      83.83002      36.8   
1 1 1 20 32 22 o -1.934000      1.024000      54.04014      43.8   
1 1 1 20 32 23 o 2.098000       1.041000      53.07516      -101.9 
1 1 1 20 32 24 o 1.015000       1.228000      30.56248      66.9   
1 1 1 20 32 25 o -0.6611000     1.715000      133.6794      -51.8  
1 1 1 20 32 26 o -1.264000      1.362000      56.96464      45.9   
1 1 1 20 32 27 o 1.168000       1.479000      110.1788      174.9  
1 1 1 20 32 28 o 2.256000       1.971000      73.27705      163.4  
1 1 1 20 32 29 f -0.2292000     1.140000      75.19276      120.3  
1 1 1 20 32 30 o -0.5679000     1.016000      73.49947      45.1   
1 1 1 20 32 31 o -0.9078000     1.021000      21.80584      -155.1 
1 1 1 20 32 32 o 2.176000       1.008000      109.8518      155.5  
1 1 1 20 32 33 o 0.3180000      1.024000      20.41603      79.4   
1 1 1 20 32 34 o -1.577000      1.081000      88.87473      84.2   
1 1 1 20 32 35 o -2.000000      1.099000      33.65057      120.2  
1 1 1 20 32 36 o 0.4715000      1.107000      72.67339      -47.9  
1 1 1 20 32 37 o 0.2574000      1.090000      73.56937      45.4   
1 1 1 20 32 38 o 0.8486000      1.235000      71.52780      -125.3 
1 1 1 20 32 39 o 1.184000       1.368000      18.15498      114.8  
1 1 1 20 32 40 o 0.9645000      1.282000      34.20341      -103.3 
1 1 1 20 32 41 o -1.417000      1.288000      43.69955      133.7  
1 1 1 20 32 42 o -0.1067000     1.290000      ?             ?      
1 1 1 20 32 43 o -0.9700000     1.293000      ?             ?      
1 1 1 20 32 44 o 1.064000       1.823000      ?             ?      
1 1 1 20 32 45 o 0.5467000E-01  1.247000      ?             ?      
1 1 1 20 32 46 o 0.3034000      1.181000      ?             ?      
1 1 1 20 32 47 o -1.361000      1.230000      ?             ?      
1 1 1 20 32 48 o -2.218000      1.380000      ?             ?      
1 1 1 20 32 49 o -0.6776000     1.300000      ?             ?      
1 1 1 20 32 50 o -0.3324000     1.274000      ?             ?      
1 1 1 20 32 51 o 1.128000       1.166000      ?             ?      
1 1 1 20 32 52 o -0.5685000     1.144000      ?             ?      
1 1 1 20 32 53 o 2.084000       1.152000      ?             ?      
1 1 1 20 32 54 o 0.7654000      1.340000      ?             ?      
1 1 1 20 32 55 o -0.8173000     1.445000      ?             ?      
1 1 1 20 32 56 o -0.5404000     1.289000      ?             ?      
1 1 1 20 32 57 o 0.5420000      1.219000      ?             ?      
1 1 1 20 32 58 o 1.039000       1.354000      ?             ?      
1 1 1 20 32 59 o 0.1586000      2.025000      ?             ?      
1 1 1 20 32 60 o -0.8058000     1.602000      ?             ?      
1 1 1 20 32 61 o -0.7105000     1.386000      ?             ?      
1 1 1 20 32 62 o -0.6445000E-01 1.715000      ?             ?      
1 1 1 20 33 0  o 2.396000       1.516000      105.5042      -0.0   
1 1 1 20 33 1  o 0.3785000      1.231000      90.05867      -94.5  
1 1 1 20 33 2  o -0.9259000     1.046000      55.48475      -48.5  
1 1 1 20 33 3  o 0.9849000      0.9547000     64.94813      -132.6 
1 1 1 20 33 4  o -0.7349000     1.031000      89.92900      -72.4  
1 1 1 20 33 5  o -0.4868000E-01 1.069000      64.78877      103.4  
1 1 1 20 33 6  o -0.6822000     0.9595000     125.0787      10.4   
1 1 1 20 33 7  o 0.7676000      0.9498000     53.30656      79.0   
1 1 1 20 33 8  o 0.3594000      0.9839000     8.318855      -2.9   
1 1 1 20 33 9  o 0.1891000      0.9877000     113.2093      64.5   
1 1 1 20 33 10 o -1.295000      0.9999000     81.71482      115.5  
1 1 1 20 33 11 o -0.6738000     1.023000      100.5706      -65.8  
1 1 1 20 33 12 o -0.7437000     1.056000      120.1801      158.3  
1 1 1 20 33 13 o 0.6653000      1.061000      71.70586      70.3   
1 1 1 20 33 14 o 1.659000       1.035000      44.11619      -77.5  
1 1 1 20 33 15 o 0.4660000      1.042000      43.92263      117.2  
1 1 1 20 33 16 o 0.1423000      1.061000      145.8076      43.5   
1 1 1 20 33 17 o 0.3435000      1.058000      75.74852      -131.3 
1 1 1 20 33 18 o 2.909000       1.133000      270.0544      83.5   
1 1 1 20 33 19 o 1.632000       1.073000      25.28642      58.2   
1 1 1 20 33 20 o 1.273000       1.079000      29.60890      -27.2  
1 1 1 20 33 21 o 1.249000       1.081000      232.0295      -137.7 
1 1 1 20 33 22 o 0.2044000E-01  1.058000      121.1076      -109.5 
1 1 1 20 33 23 o 0.4871000E-01  1.058000      121.3550      39.6   
1 1 1 20 33 24 o -0.3352000     1.221000      116.0324      137.7  
1 1 1 20 33 25 o 0.4950000      1.697000      19.44512      -111.3 
1 1 1 20 33 26 o 1.885000       1.387000      27.11599      -169.7 
1 1 1 20 33 27 o -2.290000      1.833000      156.3896      -136.9 
1 1 1 20 33 28 o 0.3205000      1.980000      24.05457      125.5  
1 1 1 20 33 29 o 0.2462000      1.528000      88.43085      -99.7  
1 1 1 20 33 30 o -0.8675000     0.9980000     43.42208      121.0  
1 1 1 20 33 31 o 0.4329000      1.029000      84.78223      -156.9 
1 1 1 20 33 32 o 1.088000       1.071000      90.25111      70.5   
1 1 1 20 33 33 o 0.6545000      1.017000      43.91116      117.0  
1 1 1 20 33 34 o -0.6182000     1.022000      41.26714      -16.4  
1 1 1 20 33 35 o -0.4112000     1.050000      92.10917      -69.2  
1 1 1 20 33 36 o 0.3880000      1.062000      26.38092      26.3   
1 1 1 20 33 37 o -0.8442000E-03 1.095000      11.35171      32.9   
1 1 1 20 33 38 o 0.2812000E-01  1.293000      60.13696      135.3  
1 1 1 20 33 39 o -2.391000      1.302000      28.84482      35.1   
1 1 1 20 33 40 o 0.3638000      1.326000      18.30604      83.6   
1 1 1 20 33 41 o -1.636000      1.360000      ?             ?      
1 1 1 20 33 42 o 0.4412000      1.445000      ?             ?      
1 1 1 20 33 43 o -3.865000      1.493000      ?             ?      
1 1 1 20 33 44 o 1.198000       1.389000      ?             ?      
1 1 1 20 33 45 o 0.7435000      1.181000      ?             ?      
1 1 1 20 33 46 o 0.2441000      1.265000      ?             ?      
1 1 1 20 33 47 o 1.199000       1.379000      ?             ?      
1 1 1 20 33 48 o -1.864000      1.365000      ?             ?      
1 1 1 20 33 49 o -0.1905000     1.116000      ?             ?      
1 1 1 20 33 50 o 0.3750000      1.192000      ?             ?      
1 1 1 20 33 51 o -0.1386000     1.210000      ?             ?      
1 1 1 20 33 52 o 0.1418000      1.218000      ?             ?      
1 1 1 20 33 53 o 1.090000       1.152000      ?             ?      
1 1 1 20 33 54 o -1.687000      1.313000      ?             ?      
1 1 1 20 33 55 o 0.9630000      1.426000      ?             ?      
1 1 1 20 33 56 o 0.9705000      1.309000      ?             ?      
1 1 1 20 33 57 o 0.3302000      1.267000      ?             ?      
1 1 1 20 33 58 o -0.7566000     1.359000      ?             ?      
1 1 1 20 33 59 o -0.4143000     1.382000      ?             ?      
1 1 1 20 33 60 o -0.9667000     1.407000      ?             ?      
1 1 1 20 33 61 o 0.7423000      1.488000      ?             ?      
1 1 1 20 34 0  o -2.405000      1.506000      5.426414      180.0  
1 1 1 20 34 1  o 0.9003000      0.9859000     84.04905      60.6   
1 1 1 20 34 2  o 3.565000       1.056000      174.5770      0.7    
1 1 1 20 34 3  o 0.8794000      1.148000      87.61475      156.5  
1 1 1 20 34 4  o -0.4554000     1.049000      127.0795      59.4   
1 1 1 20 34 5  o 0.1137000      1.129000      44.66341      90.3   
1 1 1 20 34 6  o 1.002000       0.9864000     129.0780      48.1   
1 1 1 20 34 7  o 1.309000       0.8910000     60.84015      -58.3  
1 1 1 20 34 8  o -0.2465000     0.9892000     53.75835      38.8   
1 1 1 20 34 9  o 1.220000       1.033000      186.9533      -178.4 
1 1 1 20 34 10 o -1.046000      1.006000      14.15102      -26.7  
1 1 1 20 34 11 o 1.251000       1.044000      149.8148      -150.5 
1 1 1 20 34 12 o 0.7872000      1.055000      61.23579      -45.9  
1 1 1 20 34 13 o 0.8078000      1.048000      132.0549      -153.9 
1 1 1 20 34 14 o 0.9498000      1.040000      184.3799      -159.4 
1 1 1 20 34 15 o 1.440000       1.059000      190.0648      168.9  
1 1 1 20 34 16 o 0.3633000      1.216000      90.93594      170.9  
1 1 1 20 34 17 o 1.072000       1.073000      98.64429      157.7  
1 1 1 20 34 18 o 2.756000       1.105000      117.7793      -108.1 
1 1 1 20 34 19 o -0.7489000     1.070000      71.89878      163.2  
1 1 1 20 34 20 o 0.2105000      1.081000      113.9179      -31.8  
1 1 1 20 34 21 o 2.120000       1.095000      152.3482      119.5  
1 1 1 20 34 22 o 0.6814000      1.091000      44.23301      51.3   
1 1 1 20 34 23 o -0.7217000     1.241000      66.74209      103.6  
1 1 1 20 34 24 o -0.3472000     1.220000      106.5545      -96.4  
1 1 1 20 34 25 o -0.5438000     1.118000      74.76313      -16.2  
1 1 1 20 34 26 o -0.4479000     1.384000      181.9079      -37.3  
1 1 1 20 34 27 o -0.6345000     1.877000      84.32659      138.7  
1 1 1 20 34 28 o -0.6008000     1.472000      125.1310      5.1    
1 1 1 20 34 29 o 1.048000       1.519000      73.67230      96.4   
1 1 1 20 34 30 o -0.6082000     1.529000      15.11285      -64.3  
1 1 1 20 34 31 o 0.7715000      1.052000      187.9593      177.3  
1 1 1 20 34 32 o -0.6526000     1.068000      26.00064      -95.8  
1 1 1 20 34 33 o 1.709000       1.034000      96.30363      76.5   
1 1 1 20 34 34 o -1.577000      1.032000      55.30070      -129.1 
1 1 1 20 34 35 o 3.044000       1.081000      152.0550      29.2   
1 1 1 20 34 36 o 1.631000       1.098000      102.1702      137.4  
1 1 1 20 34 37 o 3.783000       1.261000      147.8543      -176.0 
1 1 1 20 34 38 o 0.5530000      1.259000      30.26508      -68.5  
1 1 1 20 34 39 o -0.6276000E-01 1.279000      50.83820      -7.8   
1 1 1 20 34 40 o -0.1003000     1.200000      ?             ?      
1 1 1 20 34 41 o -3.433000      1.438000      ?             ?      
1 1 1 20 34 42 o 2.908000       1.418000      ?             ?      
1 1 1 20 34 43 f -2.005000      1.447000      ?             ?      
1 1 1 20 34 44 o 0.9024000      1.257000      ?             ?      
1 1 1 20 34 45 o -0.3454000     1.352000      ?             ?      
1 1 1 20 34 46 o -1.488000      1.380000      ?             ?      
1 1 1 20 34 47 o -1.970000      1.105000      ?             ?      
1 1 1 20 34 48 o -0.7708000     1.113000      ?             ?      
1 1 1 20 34 49 o 0.4123000      1.109000      ?             ?      
1 1 1 20 34 50 o 0.2880000      1.156000      ?             ?      
1 1 1 20 34 51 o -0.4423000     1.162000      ?             ?      
1 1 1 20 34 52 o -0.2158000     1.138000      ?             ?      
1 1 1 20 34 53 o 1.563000       1.227000      ?             ?      
1 1 1 20 34 54 o -0.9859000     1.249000      ?             ?      
1 1 1 20 34 55 o 1.564000       1.421000      ?             ?      
1 1 1 20 34 56 o 3.880000       1.479000      ?             ?      
1 1 1 20 34 57 o 1.059000       1.507000      ?             ?      
1 1 1 20 34 58 o 0.5533000      1.463000      ?             ?      
1 1 1 20 34 59 o -1.800000      1.267000      ?             ?      
1 1 1 20 34 60 o -0.2400000     1.366000      ?             ?      
1 1 1 20 35 0  o -0.2286000     1.260000      7.371182      180.0  
1 1 1 20 35 1  o 0.1650000      0.9623000     72.32970      14.3   
1 1 1 20 35 2  o 1.066000       0.9870000     145.4391      -36.9  
1 1 1 20 35 3  o 1.768000       1.126000      81.75053      66.4   
1 1 1 20 35 4  o 0.9504000      1.087000      51.83050      119.2  
1 1 1 20 35 5  o 10.50000       1.225000      300.0944      133.8  
1 1 1 20 35 6  o 1.508000       1.016000      217.4545      48.3   
1 1 1 20 35 7  o 1.575000       0.8846000     145.8649      80.7   
1 1 1 20 35 8  o 1.819000       1.050000      41.07731      170.7  
1 1 1 20 35 9  o 1.456000       1.059000      110.1023      151.5  
1 1 1 20 35 10 o 2.285000       1.025000      281.2569      -66.8  
1 1 1 20 35 11 o -1.094000      1.001000      111.1064      1.8    
1 1 1 20 35 12 o 1.591000       1.012000      115.8625      -83.5  
1 1 1 20 35 13 o -1.174000      1.206000      242.7108      -4.3   
1 1 1 20 35 14 o -1.058000      1.029000      114.8029      -174.5 
1 1 1 20 35 15 o -0.1255000     1.051000      116.1180      -67.5  
1 1 1 20 35 16 o 1.497000       1.233000      235.6163      27.4   
1 1 1 20 35 17 o 0.4972000E-02  1.226000      93.94323      109.9  
1 1 1 20 35 18 o 0.4240000E-01  1.077000      102.8746      69.1   
1 1 1 20 35 19 o 2.201000       1.074000      82.28371      -53.9  
1 1 1 20 35 20 o 2.232000       1.099000      184.4540      -91.9  
1 1 1 20 35 21 o -1.052000      1.102000      60.88860      -127.0 
1 1 1 20 35 22 o -0.3487000     1.301000      40.58528      -136.3 
1 1 1 20 35 23 o 0.3739000      1.323000      215.5838      7.9    
1 1 1 20 35 24 o 1.160000       1.174000      177.4513      167.3  
1 1 1 20 35 25 o -1.198000      1.157000      186.5522      -27.7  
1 1 1 20 35 26 o -0.2579000     1.886000      95.05017      -8.9   
1 1 1 20 35 27 o 2.151000       1.960000      212.8183      59.4   
1 1 1 20 35 28 o 2.759000       1.451000      101.7066      169.0  
1 1 1 20 35 29 o 1.055000       1.542000      155.6775      -38.0  
1 1 1 20 35 30 o 0.5427000      1.586000      61.24421      -114.1 
1 1 1 20 35 31 o 0.3822000      1.326000      92.73264      -140.3 
1 1 1 20 35 32 o -0.7026000     1.081000      52.46820      -36.3  
1 1 1 20 35 33 o 0.1202000      1.110000      34.67452      -3.5   
1 1 1 20 35 34 o -0.2726000     1.061000      80.10638      -85.7  
1 1 1 20 35 35 o 3.768000       1.298000      180.1017      -101.4 
1 1 1 20 35 36 o 1.711000       1.310000      112.3419      48.2   
1 1 1 20 35 37 o 0.1010000E-01  1.274000      44.42417      -106.1 
1 1 1 20 35 38 o 1.673000       1.201000      87.98875      133.6  
1 1 1 20 35 39 o 0.1024000      1.063000      ?             ?      
1 1 1 20 35 40 o -0.1403000     1.160000      ?             ?      
1 1 1 20 35 41 o -0.7657000     1.339000      ?             ?      
1 1 1 20 35 42 o -1.248000      2.229000      ?             ?      
1 1 1 20 35 43 o 0.1661000      2.307000      ?             ?      
1 1 1 20 35 44 o 2.514000       1.238000      ?             ?      
1 1 1 20 35 45 o 0.8618000      1.117000      ?             ?      
1 1 1 20 35 46 o 0.6261000      1.058000      ?             ?      
1 1 1 20 35 47 o 1.877000       1.107000      ?             ?      
1 1 1 20 35 48 o 0.9982000      1.132000      ?             ?      
1 1 1 20 35 49 o -0.5681000     1.130000      ?             ?      
1 1 1 20 35 50 o 0.5022000      1.108000      ?             ?      
1 1 1 20 35 51 o 1.616000       1.125000      ?             ?      
1 1 1 20 35 52 o -0.3923000     1.125000      ?             ?      
1 1 1 20 35 53 o -0.4106000     1.177000      ?             ?      
1 1 1 20 35 54 o 1.953000       1.198000      ?             ?      
1 1 1 20 35 55 o 0.7504000E-01  1.335000      ?             ?      
1 1 1 20 35 56 o 0.8619000      1.538000      ?             ?      
1 1 1 20 35 57 o -0.5127000     1.833000      ?             ?      
1 1 1 20 35 58 o 0.1194000      1.507000      ?             ?      
1 1 1 20 35 59 o -0.1216000     1.278000      ?             ?      
1 1 1 20 35 60 o -0.9055000     4.316000      ?             ?      
1 1 1 20 36 0  o 0.7166000      1.211000      220.6110      180.0  
1 1 1 20 36 1  o 3.516000       0.9703000     255.1153      24.7   
1 1 1 20 36 2  o 2.819000       0.9707000     210.3725      164.2  
1 1 1 20 36 3  o 0.1489000      1.120000      135.0253      -141.7 
1 1 1 20 36 4  o -0.8641000     1.177000      213.6030      -110.4 
1 1 1 20 36 5  o 0.7192000      1.025000      226.7728      -109.4 
1 1 1 20 36 6  o 2.939000       1.047000      288.9923      141.5  
1 1 1 20 36 7  o 0.8242000      0.9418000     118.9011      -154.2 
1 1 1 20 36 8  o 0.1546000      1.073000      178.1166      -3.3   
1 1 1 20 36 9  o -0.2602000     1.043000      66.55719      66.7   
1 1 1 20 36 10 o -0.9505000     1.017000      179.8907      2.6    
1 1 1 20 36 11 o 2.820000       1.021000      214.8069      -93.3  
1 1 1 20 36 12 o 1.833000       1.022000      241.9265      149.7  
1 1 1 20 36 13 o -0.5699000     1.007000      38.69253      71.3   
1 1 1 20 36 14 o -0.4904000     1.045000      110.3375      133.4  
1 1 1 20 36 15 o 3.016000       1.099000      251.5287      152.8  
1 1 1 20 36 16 o 4.357000       1.296000      285.5169      50.1   
1 1 1 20 36 17 o 0.2170000      1.237000      116.5656      -154.8 
1 1 1 20 36 18 o -0.7556000     1.249000      95.94353      -124.4 
1 1 1 20 36 19 o 0.9180000      1.096000      134.0325      92.1   
1 1 1 20 36 20 o 2.658000       1.128000      219.6533      -146.2 
1 1 1 20 36 21 o 0.6797000      1.126000      84.41072      19.9   
1 1 1 20 36 22 o -0.6865000     1.338000      80.56133      32.7   
1 1 1 20 36 23 o 3.400000       1.424000      168.1276      -142.7 
1 1 1 20 36 24 o -0.1745000     1.235000      85.79513      -179.6 
1 1 1 20 36 25 o 1.652000       1.481000      107.7025      -55.4  
1 1 1 20 36 26 o 0.8433000      2.051000      184.9785      -73.1  
1 1 1 20 36 27 o -0.7466000     1.518000      81.28905      -172.0 
1 1 1 20 36 28 o -2.037000      1.478000      34.04697      -81.9  
1 1 1 20 36 29 o 2.312000       1.572000      267.4100      -13.6  
1 1 1 20 36 30 o -1.622000      1.610000      113.4203      -51.0  
1 1 1 20 36 31 o 0.8486000      1.686000      219.4447      115.9  
1 1 1 20 36 32 o 1.217000       1.369000      131.5426      104.4  
1 1 1 20 36 33 f 1.765000       1.373000      142.0677      -41.9  
1 1 1 20 36 34 o 2.217000       1.132000      126.9880      78.5   
1 1 1 20 36 35 o 1.641000       1.284000      53.03474      -17.4  
1 1 1 20 36 36 o 1.816000       1.096000      271.7161      149.2  
1 1 1 20 36 37 o 0.5337000      1.078000      184.3805      -149.8 
1 1 1 20 36 38 o -1.427000      1.069000      ?             ?      
1 1 1 20 36 39 o 1.252000       1.138000      ?             ?      
1 1 1 20 36 40 o 0.2032000E-01  1.245000      ?             ?      
1 1 1 20 36 41 o -0.9393000     1.335000      ?             ?      
1 1 1 20 36 42 o 1.645000       1.412000      ?             ?      
1 1 1 20 36 43 o -0.5466000     1.433000      ?             ?      
1 1 1 20 36 44 o -0.3710000     1.249000      ?             ?      
1 1 1 20 36 45 o -0.9338000     1.075000      ?             ?      
1 1 1 20 36 46 o -0.5255000E-01 1.034000      ?             ?      
1 1 1 20 36 47 o -0.4819000     1.089000      ?             ?      
1 1 1 20 36 48 o -2.004000      1.155000      ?             ?      
1 1 1 20 36 49 o 3.479000       1.114000      ?             ?      
1 1 1 20 36 50 o 0.1874000      1.104000      ?             ?      
1 1 1 20 36 51 o 3.477000       1.170000      ?             ?      
1 1 1 20 36 52 o 0.8328000      1.162000      ?             ?      
1 1 1 20 36 53 o 0.6031000      1.146000      ?             ?      
1 1 1 20 36 54 o 0.8654000      1.154000      ?             ?      
1 1 1 20 36 55 o -0.1683000     1.170000      ?             ?      
1 1 1 20 36 56 o -2.290000      1.642000      ?             ?      
1 1 1 20 36 57 o -0.1258000     2.352000      ?             ?      
1 1 1 20 36 58 o 3.324000       1.380000      ?             ?      
1 1 1 20 36 59 o 0.8308000      1.405000      ?             ?      
1 1 1 20 37 0  o 2.502000       1.217000      23.81746      180.0  
1 1 1 20 37 1  o 4.503000       0.9000000     352.7576      -53.6  
1 1 1 20 37 2  o 6.624000       1.102000      231.8435      3.5    
1 1 1 20 37 3  o 0.3551000      1.047000      135.0063      -2.0   
1 1 1 20 37 4  o 1.374000       1.191000      82.22792      149.5  
1 1 1 20 37 5  o -1.464000      1.152000      95.69893      22.8   
1 1 1 20 37 6  o 14.77000       1.259000      525.0927      8.5    
1 1 1 20 37 7  o 3.178000       1.017000      296.4588      150.6  
1 1 1 20 37 8  o 2.892000       1.091000      226.6989      73.4   
1 1 1 20 37 9  o 3.045000       1.085000      131.1172      165.9  
1 1 1 20 37 10 o 1.009000       1.034000      177.3750      -75.9  
1 1 1 20 37 11 o 0.5602000      1.013000      286.4053      -175.5 
1 1 1 20 37 12 o 6.074000       1.092000      359.8641      -25.8  
1 1 1 20 37 13 o -0.6813000     1.035000      162.5610      8.3    
1 1 1 20 37 14 f 2.159000       1.075000      253.4109      -84.0  
1 1 1 20 37 15 o -0.7090000     1.091000      48.24608      -20.6  
1 1 1 20 37 16 o 4.929000       1.307000      371.2719      -4.7   
1 1 1 20 37 17 o -1.596000      1.268000      162.8890      -138.2 
1 1 1 20 37 18 o 2.879000       1.293000      201.2751      -52.5  
1 1 1 20 37 19 f 5.566000       1.328000      165.2899      -32.0  
1 1 1 20 37 20 o 1.766000       1.162000      200.5879      165.3  
1 1 1 20 37 21 o 1.839000       1.392000      151.5325      -165.0 
1 1 1 20 37 22 o 1.673000       1.451000      178.3436      43.4   
1 1 1 20 37 23 o 2.898000       1.300000      293.8271      -7.7   
1 1 1 20 37 24 o 7.927000       1.365000      276.6093      -59.3  
1 1 1 20 37 25 o 2.191000       1.612000      264.3078      18.0   
1 1 1 20 37 26 o 0.5234000      2.185000      202.0005      34.5   
1 1 1 20 37 27 o 2.110000       1.567000      177.5889      82.6   
1 1 1 20 37 28 o 0.1140000      1.589000      32.80627      -36.2  
1 1 1 20 37 29 o 1.294000       1.608000      119.2763      67.4   
1 1 1 20 37 30 o 1.329000       1.678000      239.4794      -154.4 
1 1 1 20 37 31 o -0.2369000     1.714000      108.7771      149.6  
1 1 1 20 37 32 o 2.567000       1.809000      158.1665      79.2   
1 1 1 20 37 33 o -0.5874000     1.524000      129.6922      -132.5 
1 1 1 20 37 34 o 0.4029000      1.146000      243.4429      43.8   
1 1 1 20 37 35 o 4.425000       1.071000      264.2115      -153.3 
1 1 1 20 37 36 o 0.9905000E-01  1.073000      ?             ?      
1 1 1 20 37 37 o 6.667000       1.171000      ?             ?      
1 1 1 20 37 38 o 1.163000       1.152000      ?             ?      
1 1 1 20 37 39 o -1.590000      1.131000      ?             ?      
1 1 1 20 37 40 o -0.5371000     1.116000      ?             ?      
1 1 1 20 37 41 o 3.409000       1.209000      ?             ?      
1 1 1 20 37 42 o 0.7691000      1.380000      ?             ?      
1 1 1 20 37 43 o 4.852000       1.201000      ?             ?      
1 1 1 20 37 44 o 0.1836000      1.326000      ?             ?      
1 1 1 20 37 45 o 3.515000       1.228000      ?             ?      
1 1 1 20 37 46 o 0.8248000      1.066000      ?             ?      
1 1 1 20 37 47 o 1.517000       1.018000      ?             ?      
1 1 1 20 37 48 o 0.7664000      1.017000      ?             ?      
1 1 1 20 37 49 o 0.6760000      1.033000      ?             ?      
1 1 1 20 37 50 o 1.504000       1.175000      ?             ?      
1 1 1 20 37 51 o 1.059000       1.209000      ?             ?      
1 1 1 20 37 52 o 1.187000       1.129000      ?             ?      
1 1 1 20 37 53 o -2.299000      1.132000      ?             ?      
1 1 1 20 37 54 o 0.7949000      1.186000      ?             ?      
1 1 1 20 37 55 o 0.4099000      1.194000      ?             ?      
1 1 1 20 37 56 o 1.574000       1.614000      ?             ?      
1 1 1 20 37 57 o -0.8632000     2.346000      ?             ?      
1 1 1 20 37 58 o 0.3304000      1.765000      ?             ?      
1 1 1 20 38 0  o 2.216000       1.236000      169.8564      180.0  
1 1 1 20 38 1  o 1.563000       0.8778000     116.6496      116.2  
1 1 1 20 38 2  o -0.9313000     0.9970000     88.38203      124.7  
1 1 1 20 38 3  o -0.9316000E-01 1.074000      97.20618      -121.2 
1 1 1 20 38 4  o 1.090000       1.079000      268.9884      146.7  
1 1 1 20 38 5  o -0.2585000     1.123000      36.29943      75.1   
1 1 1 20 38 6  o 8.173000       1.075000      495.2184      157.7  
1 1 1 20 38 7  o 2.212000       0.9936000     261.1120      15.5   
1 1 1 20 38 8  o 2.222000       1.093000      292.3842      -116.9 
1 1 1 20 38 9  o 6.185000       1.075000      229.2183      -5.5   
1 1 1 20 38 10 o 11.81000       1.116000      580.2197      -68.7  
1 1 1 20 38 11 o 4.950000       1.048000      233.0672      91.8   
1 1 1 20 38 12 o -1.051000      1.052000      83.54787      66.3   
1 1 1 20 38 13 o 8.145000       1.119000      497.7501      34.5   
1 1 1 20 38 14 o 1.850000       1.099000      244.2540      80.1   
1 1 1 20 38 15 o 3.154000       1.116000      196.9996      82.0   
1 1 1 20 38 16 o 10.58000       1.377000      474.6567      49.6   
1 1 1 20 38 17 o 3.729000       1.322000      149.4919      117.0  
1 1 1 20 38 18 o 2.405000       1.347000      262.3602      -121.2 
1 1 1 20 38 19 o 0.1981000      1.331000      148.4453      -86.4  
1 1 1 20 38 20 o 4.302000       1.410000      214.5431      -7.5   
1 1 1 20 38 21 o 0.3416000      1.438000      71.87344      107.2  
1 1 1 20 38 22 o 1.410000       1.528000      230.0096      88.8   
1 1 1 20 38 23 o 4.225000       1.360000      191.9165      -52.3  
1 1 1 20 38 24 o -0.3732000     1.375000      182.1515      138.1  
1 1 1 20 38 25 o 12.91000       1.722000      514.4218      1.7    
1 1 1 20 38 26 o 4.268000       1.671000      231.0968      -119.1 
1 1 1 20 38 27 o -1.323000      1.585000      124.0865      -142.4 
1 1 1 20 38 28 o 0.7182000      1.619000      155.5574      -48.0  
1 1 1 20 38 29 o 8.432000       1.743000      339.2026      -81.0  
1 1 1 20 38 30 o 4.229000       1.891000      413.8713      -146.7 
1 1 1 20 38 31 o -0.6649000E-01 1.743000      11.65414      -12.1  
1 1 1 20 38 32 o 1.660000       1.724000      170.9822      -162.1 
1 1 1 20 38 33 o -1.960000      1.348000      28.04643      -114.0 
1 1 1 20 38 34 o 7.444000       1.399000      326.7801      -36.4  
1 1 1 20 38 35 o -0.2294000     1.383000      ?             ?      
1 1 1 20 38 36 o 0.8122000      1.115000      ?             ?      
1 1 1 20 38 37 o 1.830000       1.040000      ?             ?      
1 1 1 20 38 38 o -0.6926000E-01 1.004000      ?             ?      
1 1 1 20 38 39 f 1.220000       1.030000      ?             ?      
1 1 1 20 38 40 o 1.172000       1.096000      ?             ?      
1 1 1 20 38 41 o -1.356000      1.121000      ?             ?      
1 1 1 20 38 42 o 2.411000       1.044000      ?             ?      
1 1 1 20 38 43 o -0.3089000     1.089000      ?             ?      
1 1 1 20 38 44 o -0.1922000     1.238000      ?             ?      
1 1 1 20 38 45 o -0.1469000     1.192000      ?             ?      
1 1 1 20 38 46 o 1.061000       1.192000      ?             ?      
1 1 1 20 38 47 o 0.2885000      1.060000      ?             ?      
1 1 1 20 38 48 o 0.1507000      1.011000      ?             ?      
1 1 1 20 38 49 o 0.5064000      1.007000      ?             ?      
1 1 1 20 38 50 o -0.9264000     1.022000      ?             ?      
1 1 1 20 38 51 o 1.468000       1.069000      ?             ?      
1 1 1 20 38 52 o 2.819000       1.153000      ?             ?      
1 1 1 20 38 53 o -2.230000      1.219000      ?             ?      
1 1 1 20 38 54 o 1.146000       1.244000      ?             ?      
1 1 1 20 38 55 o 2.089000       1.643000      ?             ?      
1 1 1 20 38 56 o 2.058000       1.653000      ?             ?      
1 1 1 20 38 57 o 1.729000       1.631000      ?             ?      
1 1 1 20 39 0  o 2.105000       1.276000      193.2745      -180.0 
1 1 1 20 39 1  o 3.433000       0.9342000     182.7903      -6.9   
1 1 1 20 39 2  o 1.754000       0.9513000     367.4474      24.9   
1 1 1 20 39 3  o 0.6315000      1.040000      76.64920      155.4  
1 1 1 20 39 4  o 1.122000       0.9814000     140.5068      16.8   
1 1 1 20 39 5  o 3.239000       1.054000      303.6466      -94.3  
1 1 1 20 39 6  o 4.169000       1.090000      297.8328      75.5   
1 1 1 20 39 7  o 0.2507000      1.003000      131.3651      93.8   
1 1 1 20 39 8  o 3.344000       1.043000      359.9662      59.7   
1 1 1 20 39 9  o -0.8803000     1.033000      235.1281      12.6   
1 1 1 20 39 10 o 1.816000       1.054000      243.8222      118.8  
1 1 1 20 39 11 o 3.949000       1.059000      306.8307      47.4   
1 1 1 20 39 12 o 4.049000       1.100000      276.1746      120.1  
1 1 1 20 39 13 o -1.275000      1.072000      74.34708      129.3  
1 1 1 20 39 14 o 1.480000       1.110000      114.9268      -63.1  
1 1 1 20 39 15 o 0.9045000      1.124000      138.0160      0.8    
1 1 1 20 39 16 o 20.75000       1.626000      629.7401      -39.7  
1 1 1 20 39 17 o -0.4674000     1.331000      110.7056      -150.3 
1 1 1 20 39 18 o 0.3061000      1.371000      143.9190      -0.3   
1 1 1 20 39 19 o 0.2650000      1.424000      135.5204      -139.5 
1 1 1 20 39 20 o -0.6749000     1.911000      142.9868      88.8   
1 1 1 20 39 21 o 10.34000       2.049000      322.6889      109.2  
1 1 1 20 39 22 o 4.588000       1.334000      276.8949      53.2   
1 1 1 20 39 23 o 4.757000       1.367000      147.5855      149.6  
1 1 1 20 39 24 o 0.3721000      1.634000      203.8123      -38.6  
1 1 1 20 39 25 o 1.519000       1.624000      101.6802      52.5   
1 1 1 20 39 26 o 3.360000       1.373000      247.7963      25.9   
1 1 1 20 39 27 o 0.1639000      1.683000      119.1395      -42.5  
1 1 1 20 39 28 o 1.465000       1.721000      209.2355      32.5   
1 1 1 20 39 29 o 1.644000       1.684000      188.6595      -6.7   
1 1 1 20 39 30 o 0.3357000      1.659000      196.0007      -30.4  
1 1 1 20 39 31 o 2.220000       1.711000      116.4473      -166.7 
1 1 1 20 39 32 o 1.639000       1.730000      256.0778      81.0   
1 1 1 20 39 33 o 0.6856000      1.715000      250.1818      49.6   
1 1 1 20 39 34 o 0.1387000      1.775000      ?             ?      
1 1 1 20 39 35 o 0.9290000      1.275000      ?             ?      
1 1 1 20 39 36 o 1.716000       1.283000      ?             ?      
1 1 1 20 39 37 o 0.7416000      0.9734000     ?             ?      
1 1 1 20 39 38 o 1.367000       0.9768000     ?             ?      
1 1 1 20 39 39 o 1.944000       1.028000      ?             ?      
1 1 1 20 39 40 o -1.711000      1.073000      ?             ?      
1 1 1 20 39 41 o 2.658000       1.070000      ?             ?      
1 1 1 20 39 42 o 0.2897000      1.008000      ?             ?      
1 1 1 20 39 43 o 1.014000       0.9952000     ?             ?      
1 1 1 20 39 44 o 0.7268000      1.092000      ?             ?      
1 1 1 20 39 45 o 1.557000       1.239000      ?             ?      
1 1 1 20 39 46 o 0.9686000      1.196000      ?             ?      
1 1 1 20 39 47 o 1.498000       1.201000      ?             ?      
1 1 1 20 39 48 o -0.1093000     1.054000      ?             ?      
1 1 1 20 39 49 o -0.2858000E-01 1.006000      ?             ?      
1 1 1 20 39 50 o 0.3081000      1.017000      ?             ?      
1 1 1 20 39 51 o -0.1539000     1.052000      ?             ?      
1 1 1 20 39 52 o -0.9542000E-01 1.063000      ?             ?      
1 1 1 20 39 53 o 1.908000       1.134000      ?             ?      
1 1 1 20 39 54 o 0.9368000      1.180000      ?             ?      
1 1 1 20 39 55 o -0.4100000E-01 1.400000      ?             ?      
1 1 1 20 39 56 o 0.4595000      1.319000      ?             ?      
1 1 1 20 40 0  o 10.87000       1.464000      438.4564      180.0  
1 1 1 20 40 1  o -1.035000      0.9632000     48.60601      34.1   
1 1 1 20 40 2  o -0.6842000     0.9621000     156.3876      31.0   
1 1 1 20 40 3  o 1.072000       1.084000      210.4794      -136.1 
1 1 1 20 40 4  o -0.2354000E-01 0.9613000     142.3322      148.8  
1 1 1 20 40 5  o 3.456000       1.004000      280.0782      109.5  
1 1 1 20 40 6  o 2.917000       1.093000      165.3400      108.6  
1 1 1 20 40 7  f 6.738000       1.075000      277.0798      -176.0 
1 1 1 20 40 8  o 1.292000       1.047000      139.8553      131.0  
1 1 1 20 40 9  o 4.437000       1.118000      257.5238      -2.5   
1 1 1 20 40 10 o 2.043000       1.068000      218.1636      -132.0 
1 1 1 20 40 11 o 2.980000       1.092000      198.4822      -145.9 
1 1 1 20 40 12 o 5.723000       1.148000      310.6895      67.7   
1 1 1 20 40 13 o 2.243000       1.102000      209.5415      61.4   
1 1 1 20 40 14 o 2.947000       1.139000      331.3479      120.6  
1 1 1 20 40 15 o 17.74000       1.519000      420.9192      73.1   
1 1 1 20 40 16 o 0.7434000      1.193000      319.0427      76.4   
1 1 1 20 40 17 o -0.3083000     1.345000      48.91026      165.3  
1 1 1 20 40 18 o 4.614000       1.447000      337.2878      -105.2 
1 1 1 20 40 19 o 12.08000       1.644000      351.5288      98.8   
1 1 1 20 40 20 o 6.176000       2.086000      319.9156      -93.9  
1 1 1 20 40 21 o 3.559000       1.623000      202.9144      -145.9 
1 1 1 20 40 22 o 0.6166000      1.568000      158.8905      -74.7  
1 1 1 20 40 23 o 0.2888000      1.370000      212.0737      64.0   
1 1 1 20 40 24 o 1.104000       1.613000      158.6680      71.0   
1 1 1 20 40 25 o 3.059000       1.462000      398.9506      -1.9   
1 1 1 20 40 26 o 0.1021000      1.354000      123.3106      170.4  
1 1 1 20 40 27 o 4.067000       1.714000      273.0180      48.2   
1 1 1 20 40 28 o 4.122000       1.652000      207.9628      -128.0 
1 1 1 20 40 29 o -4.831000      1.692000      50.25567      -170.1 
1 1 1 20 40 30 o 1.700000       1.657000      280.2640      -113.1 
1 1 1 20 40 31 o 2.798000       1.650000      246.2640      -179.6 
1 1 1 20 40 32 o -2.085000      1.701000      ?             ?      
1 1 1 20 40 33 o 0.3688000      1.722000      ?             ?      
1 1 1 20 40 34 o 4.671000       1.382000      ?             ?      
1 1 1 20 40 35 o 1.827000       1.355000      ?             ?      
1 1 1 20 40 36 f 0.9910000      1.242000      ?             ?      
1 1 1 20 40 37 o -0.4989000     1.191000      ?             ?      
1 1 1 20 40 38 o 1.487000       1.001000      ?             ?      
1 1 1 20 40 39 o 5.662000       1.061000      ?             ?      
1 1 1 20 40 40 o -1.026000      1.061000      ?             ?      
1 1 1 20 40 41 o -1.323000      0.9870000     ?             ?      
1 1 1 20 40 42 o 1.645000       0.9790000     ?             ?      
1 1 1 20 40 43 o -0.3024000E-01 0.9726000     ?             ?      
1 1 1 20 40 44 o 0.3323000      1.079000      ?             ?      
1 1 1 20 40 45 o 0.3692000      1.082000      ?             ?      
1 1 1 20 40 46 o -0.8243000     1.231000      ?             ?      
1 1 1 20 40 47 o -0.2257000     1.184000      ?             ?      
1 1 1 20 40 48 o -1.572000      1.182000      ?             ?      
1 1 1 20 40 49 o 0.1265000      1.018000      ?             ?      
1 1 1 20 40 50 o -1.482000      1.033000      ?             ?      
1 1 1 20 40 51 o 0.2993000      1.037000      ?             ?      
1 1 1 20 40 52 o 0.8167000E-01  1.061000      ?             ?      
1 1 1 20 40 53 o 0.5209000      1.113000      ?             ?      
1 1 1 20 40 54 o -0.6256000     1.175000      ?             ?      
1 1 1 20 40 55 o 0.7679000E-01  1.395000      ?             ?      
1 1 1 20 41 0  o 0.4255000      1.295000      136.0364      -0.0   
1 1 1 20 41 1  o 0.1046000      0.9723000     157.5649      17.3   
1 1 1 20 41 2  o 3.502000       1.027000      208.7650      21.9   
1 1 1 20 41 3  o 8.919000       0.9932000     461.1461      169.4  
1 1 1 20 41 4  o -0.2799000     0.9694000     63.24273      -105.8 
1 1 1 20 41 5  o 7.357000       1.013000      402.5664      152.7  
1 1 1 20 41 6  o 5.577000       1.143000      403.6699      105.1  
1 1 1 20 41 7  o 0.2602000      1.155000      49.22188      4.2    
1 1 1 20 41 8  o 2.502000       1.056000      230.1229      -72.0  
1 1 1 20 41 9  o 4.924000       1.140000      377.5760      4.9    
1 1 1 20 41 10 o 0.4261000      1.095000      142.3731      86.8   
1 1 1 20 41 11 o 3.188000       1.119000      268.0872      55.3   
1 1 1 20 41 12 o 1.567000       1.136000      171.7176      157.0  
1 1 1 20 41 13 o 0.4894000      1.125000      182.8543      -106.8 
1 1 1 20 41 14 o 0.1509000      1.146000      79.92571      -24.5  
1 1 1 20 41 15 o -1.335000      1.181000      111.8722      -148.0 
1 1 1 20 41 16 o 4.121000       1.249000      244.2661      5.5    
1 1 1 20 41 17 o 0.5904000      1.440000      68.20939      -11.9  
1 1 1 20 41 18 o 2.000000       1.478000      250.8742      -42.4  
1 1 1 20 41 19 o 7.964000       2.054000      303.8859      -10.2  
1 1 1 20 41 20 o 1.824000       2.050000      124.2411      -148.6 
1 1 1 20 41 21 o 1.399000       1.606000      230.9043      76.9   
1 1 1 20 41 22 o 2.461000       1.719000      356.2728      107.5  
1 1 1 20 41 23 o 0.9895000      2.368000      215.0572      -36.5  
1 1 1 20 41 24 o 3.632000       2.317000      110.2606      -75.7  
1 1 1 20 41 25 o 2.001000       1.350000      231.1548      166.0  
1 1 1 20 41 26 o 1.696000       1.394000      168.2816      34.8   
1 1 1 20 41 27 o -0.2807000     1.416000      36.77042      -99.5  
1 1 1 20 41 28 f 3.926000       1.671000      340.4287      29.4   
1 1 1 20 41 29 o 8.876000       1.731000      473.4085      -19.5  
1 1 1 20 41 30 o -1.142000      1.632000      ?             ?      
1 1 1 20 41 31 o 0.5478000      1.624000      ?             ?      
1 1 1 20 41 32 o -1.487000      1.664000      ?             ?      
1 1 1 20 41 33 o 4.700000       1.722000      ?             ?      
1 1 1 20 41 34 o -2.519000      1.700000      ?             ?      
1 1 1 20 41 35 o 0.4533000E-01  1.328000      ?             ?      
1 1 1 20 41 36 o 0.1775000      1.474000      ?             ?      
1 1 1 20 41 37 o 0.5277000      1.365000      ?             ?      
1 1 1 20 41 38 o -3.159000      1.297000      ?             ?      
1 1 1 20 41 39 o 2.374000       1.279000      ?             ?      
1 1 1 20 41 40 o 0.3122000      0.9939000     ?             ?      
1 1 1 20 41 41 o -0.2214000     0.9748000     ?             ?      
1 1 1 20 41 42 o 2.541000       0.9845000     ?             ?      
1 1 1 20 41 43 o -1.284000      0.9472000     ?             ?      
1 1 1 20 41 44 o 1.770000       0.9824000     ?             ?      
1 1 1 20 41 45 o 0.7463000      1.057000      ?             ?      
1 1 1 20 41 46 o -0.4785000     1.077000      ?             ?      
1 1 1 20 41 47 o 0.6759000      1.231000      ?             ?      
1 1 1 20 41 48 o 2.730000       1.216000      ?             ?      
1 1 1 20 41 49 o 3.182000       1.226000      ?             ?      
1 1 1 20 41 50 o -1.267000      1.025000      ?             ?      
1 1 1 20 41 51 o -1.127000      1.433000      ?             ?      
1 1 1 20 41 52 o 1.648000       1.074000      ?             ?      
1 1 1 20 41 53 o 2.626000       1.102000      ?             ?      
1 1 1 20 41 54 o 0.2588000E-01  1.219000      ?             ?      
1 1 1 20 42 0  o 2.152000       1.358000      271.9802      -0.0   
1 1 1 20 42 1  o 2.814000       1.004000      175.4255      -151.8 
1 1 1 20 42 2  o 5.988000       1.050000      422.7512      -68.5  
1 1 1 20 42 3  o 5.917000       0.9518000     374.0785      -174.0 
1 1 1 20 42 4  o 4.095000       0.9097000     322.9648      -150.6 
1 1 1 20 42 5  o 0.1964000      0.9729000     98.25372      170.5  
1 1 1 20 42 6  o 0.3012000E-01  1.111000      73.64929      -133.2 
1 1 1 20 42 7  o 1.716000       1.190000      180.4985      113.6  
1 1 1 20 42 8  o 6.861000       1.287000      383.2407      100.7  
1 1 1 20 42 9  o 0.7124000      1.141000      129.9700      -23.0  
1 1 1 20 42 10 o 2.925000       1.178000      181.5794      80.6   
1 1 1 20 42 11 o 1.049000       1.143000      98.10612      -32.8  
1 1 1 20 42 12 o 10.77000       1.288000      528.7553      108.5  
1 1 1 20 42 13 o 2.517000       1.190000      118.9514      -87.9  
1 1 1 20 42 14 o 9.310000       1.259000      349.1480      128.0  
1 1 1 20 42 15 o 13.37000       1.620000      508.7869      62.1   
1 1 1 20 42 16 o 4.275000       1.506000      225.9317      143.1  
1 1 1 20 42 17 o 2.253000       1.476000      158.7552      74.1   
1 1 1 20 42 18 o 4.262000       2.088000      238.7885      35.0   
1 1 1 20 42 19 o 0.4079000      2.065000      246.0601      13.7   
1 1 1 20 42 20 o 7.602000       1.798000      479.3965      -100.8 
1 1 1 20 42 21 o 4.320000       1.641000      273.1481      171.7  
1 1 1 20 42 22 o 4.738000       1.688000      307.8756      33.6   
1 1 1 20 42 23 o -2.370000      2.303000      108.1205      82.4   
1 1 1 20 42 24 o 3.669000       2.402000      291.1131      15.1   
1 1 1 20 42 25 o -0.9238000     1.668000      265.9797      22.9   
1 1 1 20 42 26 o 1.673000       1.637000      169.9214      -128.0 
1 1 1 20 42 27 o 2.779000       1.357000      257.3009      84.1   
1 1 1 20 42 28 o -2.109000      1.328000      ?             ?      
1 1 1 20 42 29 o 1.685000       1.626000      ?             ?      
1 1 1 20 42 30 o 5.024000       1.676000      ?             ?      
1 1 1 20 42 31 o -0.8629000     1.653000      ?             ?      
1 1 1 20 42 32 o 5.170000       1.702000      ?             ?      
1 1 1 20 42 33 f -0.5420000     1.667000      ?             ?      
1 1 1 20 42 34 o 1.778000       1.696000      ?             ?      
1 1 1 20 42 35 o -1.796000      1.669000      ?             ?      
1 1 1 20 42 36 o -2.366000      1.274000      ?             ?      
1 1 1 20 42 37 o 1.791000       1.440000      ?             ?      
1 1 1 20 42 38 o 1.572000       1.193000      ?             ?      
1 1 1 20 42 39 o -1.453000      1.185000      ?             ?      
1 1 1 20 42 40 o 1.281000       1.348000      ?             ?      
1 1 1 20 42 41 o -0.2283000     0.9325000     ?             ?      
1 1 1 20 42 42 o -0.1937000E-01 0.9356000     ?             ?      
1 1 1 20 42 43 o -0.4281000E-01 0.9515000     ?             ?      
1 1 1 20 42 44 o 1.067000       0.9524000     ?             ?      
1 1 1 20 42 45 o 1.745000       0.9568000     ?             ?      
1 1 1 20 42 46 o -0.9193000     1.063000      ?             ?      
1 1 1 20 42 47 o 1.016000       1.079000      ?             ?      
1 1 1 20 42 48 o 2.893000       1.282000      ?             ?      
1 1 1 20 42 49 o 0.1045000      1.210000      ?             ?      
1 1 1 20 42 50 o -0.8128000E-01 1.219000      ?             ?      
1 1 1 20 42 51 o 2.035000       1.114000      ?             ?      
1 1 1 20 42 52 o -0.9462000     1.078000      ?             ?      
1 1 1 20 42 53 o 0.3427000      1.242000      ?             ?      
1 1 1 20 43 0  o -0.1578000     1.624000      57.85534      180.0  
1 1 1 20 43 1  o 0.1255000      1.034000      101.0354      74.3   
1 1 1 20 43 2  o 3.241000       1.057000      288.7816      -85.9  
1 1 1 20 43 3  o -0.9653000E-01 0.9350000     263.3858      30.6   
1 1 1 20 43 4  o -1.313000      0.9002000     98.35686      -164.9 
1 1 1 20 43 5  o 2.895000       1.028000      307.6160      166.5  
1 1 1 20 43 6  o 0.2487000E-01  1.031000      146.4559      -22.7  
1 1 1 20 43 7  o -0.7522000     1.204000      251.0884      -85.9  
1 1 1 20 43 8  o 4.011000       1.286000      265.6203      174.7  
1 1 1 20 43 9  o 3.689000       1.205000      248.6959      -72.2  
1 1 1 20 43 10 o 4.115000       1.247000      411.5056      56.5   
1 1 1 20 43 11 o 0.1454000      1.218000      248.8635      76.4   
1 1 1 20 43 12 o 4.248000       1.239000      369.4259      -93.9  
1 1 1 20 43 13 o 3.748000       1.485000      357.1111      170.7  
1 1 1 20 43 14 o 3.896000       1.281000      290.3001      82.8   
1 1 1 20 43 15 o -1.336000      1.264000      17.32377      46.8   
1 1 1 20 43 16 o 2.348000       1.280000      341.5556      74.0   
1 1 1 20 43 17 o 0.3881000      1.540000      207.4440      177.0  
1 1 1 20 43 18 o 8.321000       2.181000      402.8501      65.1   
1 1 1 20 43 19 o -0.9877000     2.066000      169.8428      15.2   
1 1 1 20 43 20 o 2.178000       1.623000      184.2089      166.4  
1 1 1 20 43 21 o 4.657000       1.680000      355.8268      48.3   
1 1 1 20 43 22 o 1.027000       2.373000      78.28621      14.6   
1 1 1 20 43 23 o 1.604000       2.313000      126.1992      167.2  
1 1 1 20 43 24 o 1.485000       1.628000      250.1245      159.4  
1 1 1 20 43 25 o 2.949000       1.635000      303.4667      46.9   
1 1 1 20 43 26 o -1.797000      1.599000      ?             ?      
1 1 1 20 43 27 o 0.1034000      1.308000      ?             ?      
1 1 1 20 43 28 o 3.576000       1.337000      ?             ?      
1 1 1 20 43 29 o -0.9406000     1.331000      ?             ?      
1 1 1 20 43 30 o 11.02000       1.759000      ?             ?      
1 1 1 20 43 31 o 2.524000       1.676000      ?             ?      
1 1 1 20 43 32 o -1.889000      1.608000      ?             ?      
1 1 1 20 43 33 o 0.3504000      1.599000      ?             ?      
1 1 1 20 43 34 o 1.920000       1.656000      ?             ?      
1 1 1 20 43 35 o 1.414000       1.621000      ?             ?      
1 1 1 20 43 36 o -1.826000      1.429000      ?             ?      
1 1 1 20 43 37 o -1.472000      1.410000      ?             ?      
1 1 1 20 43 38 o 0.1225000      1.219000      ?             ?      
1 1 1 20 43 39 o 2.872000       1.335000      ?             ?      
1 1 1 20 43 40 o -1.322000      1.284000      ?             ?      
1 1 1 20 43 41 o -1.254000      1.143000      ?             ?      
1 1 1 20 43 42 o 1.267000       1.212000      ?             ?      
1 1 1 20 43 43 o -0.1108000     0.9313000     ?             ?      
1 1 1 20 43 44 o 1.191000       0.9574000     ?             ?      
1 1 1 20 43 45 o 0.3242000      0.9646000     ?             ?      
1 1 1 20 43 46 o -0.2845000     0.9709000     ?             ?      
1 1 1 20 43 47 o 0.6926000      1.075000      ?             ?      
1 1 1 20 43 48 o -0.5226000E-01 1.087000      ?             ?      
1 1 1 20 43 49 o 1.179000       1.270000      ?             ?      
1 1 1 20 43 50 o 0.4906000      1.231000      ?             ?      
1 1 1 20 43 51 o -1.169000      1.238000      ?             ?      
1 1 1 20 43 52 o -0.3120000     1.131000      ?             ?      
1 1 1 20 44 0  o 3.673000       1.654000      363.5013      -0.0   
1 1 1 20 44 1  o 1.429000       1.066000      245.7030      -29.5  
1 1 1 20 44 2  o -1.016000      0.9473000     62.09591      14.5   
1 1 1 20 44 3  o 3.108000       0.9563000     248.6760      -158.4 
1 1 1 20 44 4  o 0.7338000      0.9141000     298.6024      22.7   
1 1 1 20 44 5  o 0.2083000      0.9463000     144.5570      86.1   
1 1 1 20 44 6  f 0.9267000      1.063000      230.6009      157.7  
1 1 1 20 44 7  o -0.3361000     1.213000      91.81356      -84.7  
1 1 1 20 44 8  o 0.3315000      1.281000      73.80426      -157.1 
1 1 1 20 44 9  o 2.875000       1.232000      173.3920      119.3  
1 1 1 20 44 10 o 13.50000       1.592000      495.8195      50.7   
1 1 1 20 44 11 o 2.727000       1.481000      111.4909      166.0  
1 1 1 20 44 12 o 6.746000       1.286000      432.7970      -172.9 
1 1 1 20 44 13 o 1.030000       1.264000      293.8077      -6.2   
1 1 1 20 44 14 o 0.7610000      1.345000      252.6951      99.1   
1 1 1 20 44 15 o 1.319000       1.333000      99.67455      37.3   
1 1 1 20 44 16 o 3.774000       1.291000      301.4097      -161.1 
1 1 1 20 44 17 o 4.689000       2.079000      285.5834      149.7  
1 1 1 20 44 18 o 3.289000       2.159000      368.2346      -37.9  
1 1 1 20 44 19 o -0.4571000     1.686000      153.9014      144.4  
1 1 1 20 44 20 o 0.2544000      1.624000      142.8867      135.0  
1 1 1 20 44 21 o 2.728000       1.650000      217.4981      146.1  
1 1 1 20 44 22 o 6.297000       2.368000      357.0708      -43.3  
1 1 1 20 44 23 o -0.1897000     2.237000      231.5673      104.4  
1 1 1 20 44 24 o 4.968000       1.624000      ?             ?      
1 1 1 20 44 25 o 1.084000       1.632000      ?             ?      
1 1 1 20 44 26 o -0.7676000     1.586000      ?             ?      
1 1 1 20 44 27 o -0.6888000     1.568000      ?             ?      
1 1 1 20 44 28 o 1.312000       1.332000      ?             ?      
1 1 1 20 44 29 o 2.245000       1.326000      ?             ?      
1 1 1 20 44 30 o 1.036000       1.311000      ?             ?      
1 1 1 20 44 31 o 1.719000       1.609000      ?             ?      
1 1 1 20 44 32 o -2.702000      1.548000      ?             ?      
1 1 1 20 44 33 o -1.540000      1.551000      ?             ?      
1 1 1 20 44 34 o 1.554000       1.573000      ?             ?      
1 1 1 20 44 35 o 0.3788000      1.645000      ?             ?      
1 1 1 20 44 36 o -0.8028000     2.141000      ?             ?      
1 1 1 20 44 37 o 0.8614000      1.284000      ?             ?      
1 1 1 20 44 38 o -1.061000      1.258000      ?             ?      
1 1 1 20 44 39 o -0.8062000     1.328000      ?             ?      
1 1 1 20 44 40 o 0.4291000E-01  1.171000      ?             ?      
1 1 1 20 44 41 o 1.188000       1.183000      ?             ?      
1 1 1 20 44 42 o -0.9972000     1.168000      ?             ?      
1 1 1 20 44 43 o 1.700000       1.260000      ?             ?      
1 1 1 20 44 44 o -0.1546000     0.9473000     ?             ?      
1 1 1 20 44 45 o 2.091000       0.9652000     ?             ?      
1 1 1 20 44 46 o 0.5084000      0.9738000     ?             ?      
1 1 1 20 44 47 o -0.5307000     0.9825000     ?             ?      
1 1 1 20 44 48 o 0.1232000      1.079000      ?             ?      
1 1 1 20 44 49 o -0.2329000E-01 1.097000      ?             ?      
1 1 1 20 44 50 o 0.2893000      1.296000      ?             ?      
1 1 1 20 44 51 o -1.775000      1.310000      ?             ?      
1 1 1 20 45 0  o 1.937000       1.678000      167.1183      -0.0   
1 1 1 20 45 1  o 1.016000       1.062000      46.17215      50.3   
1 1 1 20 45 2  o -0.1237000     0.9560000     80.21788      -73.1  
1 1 1 20 45 3  o 4.295000       0.9496000     426.9073      137.7  
1 1 1 20 45 4  o 5.062000       0.9517000     373.6784      -138.0 
1 1 1 20 45 5  o -1.189000      0.9507000     100.0783      51.7   
1 1 1 20 45 6  o 3.896000       1.088000      213.2064      -14.0  
1 1 1 20 45 7  o 1.022000       1.120000      133.2024      -73.9  
1 1 1 20 45 8  o 5.581000       1.622000      228.6314      130.8  
1 1 1 20 45 9  o 0.3835000      1.238000      163.5077      138.8  
1 1 1 20 45 10 o 1.500000       1.271000      258.5262      29.6   
1 1 1 20 45 11 o 1.235000       1.553000      262.5524      -40.7  
1 1 1 20 45 12 o -1.041000      1.355000      75.41033      142.9  
1 1 1 20 45 13 o 0.6195000      1.287000      242.8700      102.7  
1 1 1 20 45 14 o 1.275000       1.258000      120.1581      4.7    
1 1 1 20 45 15 o 1.860000       1.282000      201.3325      90.8   
1 1 1 20 45 16 o 1.392000       1.652000      111.4321      -94.2  
1 1 1 20 45 17 o -1.705000      2.093000      87.04828      -18.8  
1 1 1 20 45 18 o 4.886000       2.117000      261.2196      80.2   
1 1 1 20 45 19 o -1.072000      1.576000      37.83559      19.9   
1 1 1 20 45 20 o 1.796000       1.578000      93.10571      138.9  
1 1 1 20 45 21 o 2.777000       2.255000      ?             ?      
1 1 1 20 45 22 o 5.141000       2.268000      ?             ?      
1 1 1 20 45 23 o -1.485000      1.589000      ?             ?      
1 1 1 20 45 24 o 2.281000       1.599000      ?             ?      
1 1 1 20 45 25 o 0.3847000      1.608000      ?             ?      
1 1 1 20 45 26 o 2.239000       1.580000      ?             ?      
1 1 1 20 45 27 o 1.671000       1.582000      ?             ?      
1 1 1 20 45 28 o 1.101000       1.580000      ?             ?      
1 1 1 20 45 29 o 1.115000       1.581000      ?             ?      
1 1 1 20 45 30 o 2.102000       1.276000      ?             ?      
1 1 1 20 45 31 o 0.4483000      1.295000      ?             ?      
1 1 1 20 45 32 o 2.352000       1.527000      ?             ?      
1 1 1 20 45 33 o 1.255000       1.575000      ?             ?      
1 1 1 20 45 34 o 0.9093000      1.545000      ?             ?      
1 1 1 20 45 35 o 4.832000       2.182000      ?             ?      
1 1 1 20 45 36 o 2.566000       2.205000      ?             ?      
1 1 1 20 45 37 o 0.5577000      1.338000      ?             ?      
1 1 1 20 45 38 o 2.628000       1.438000      ?             ?      
1 1 1 20 45 39 o -1.541000      1.370000      ?             ?      
1 1 1 20 45 40 o 0.5473000      1.187000      ?             ?      
1 1 1 20 45 41 o 1.104000       1.194000      ?             ?      
1 1 1 20 45 42 o 0.7991000      1.194000      ?             ?      
1 1 1 20 45 43 o 0.1190000      1.190000      ?             ?      
1 1 1 20 45 44 o 0.2599000      1.193000      ?             ?      
1 1 1 20 45 45 o 0.6262000      1.255000      ?             ?      
1 1 1 20 45 46 o 0.7546000      0.9616000     ?             ?      
1 1 1 20 45 47 o 0.8410000      0.9920000     ?             ?      
1 1 1 20 45 48 o 0.1497000      1.077000      ?             ?      
1 1 1 20 45 49 o -0.9218000E-01 1.089000      ?             ?      
1 1 1 20 45 50 o 0.6685000      1.242000      ?             ?      
1 1 1 20 46 0  o 23.40000       2.224000      652.7009      -0.0   
1 1 1 20 46 1  o 0.8610000      1.099000      75.07198      -21.8  
1 1 1 20 46 2  o 1.699000       0.9698000     286.5320      -107.1 
1 1 1 20 46 3  o 0.2790000      0.9270000     83.91968      83.1   
1 1 1 20 46 4  o 1.711000       0.9203000     207.6930      131.4  
1 1 1 20 46 5  o 2.924000       1.066000      196.8795      135.6  
1 1 1 20 46 6  o 0.5176000      1.048000      145.4651      166.0  
1 1 1 20 46 7  o 2.076000       1.130000      164.8701      -35.9  
1 1 1 20 46 8  o 5.289000       1.480000      291.1547      179.5  
1 1 1 20 46 9  o 3.886000       1.539000      284.7670      67.6   
1 1 1 20 46 10 o 0.1927000      1.406000      43.20467      154.8  
1 1 1 20 46 11 o -0.1998000     1.252000      127.3475      -139.0 
1 1 1 20 46 12 o 0.8527000      1.275000      93.96089      -134.7 
1 1 1 20 46 13 o -0.9462000E-01 1.253000      55.88243      52.3   
1 1 1 20 46 14 o 1.279000       1.274000      138.8756      108.6  
1 1 1 20 46 15 o 5.144000       1.297000      288.4181      -11.3  
1 1 1 20 46 16 o -0.4954000     2.014000      85.94423      179.7  
1 1 1 20 46 17 o 0.1074000      2.028000      167.0485      -111.2 
1 1 1 20 46 18 o 5.688000       1.612000      ?             ?      
1 1 1 20 46 19 o 4.932000       1.567000      ?             ?      
1 1 1 20 46 20 o 0.4267000      1.561000      ?             ?      
1 1 1 20 46 21 o -0.2142000     2.200000      ?             ?      
1 1 1 20 46 22 o -0.2144000     2.229000      ?             ?      
1 1 1 20 46 23 o 2.499000       1.568000      ?             ?      
1 1 1 20 46 24 o 1.282000       1.562000      ?             ?      
1 1 1 20 46 25 o 4.512000       1.616000      ?             ?      
1 1 1 20 46 26 o -1.177000      1.569000      ?             ?      
1 1 1 20 46 27 o 2.949000       1.590000      ?             ?      
1 1 1 20 46 28 o -1.708000      1.560000      ?             ?      
1 1 1 20 46 29 o -2.121000      1.538000      ?             ?      
1 1 1 20 46 30 o 1.174000       1.558000      ?             ?      
1 1 1 20 46 31 o -0.7163000     1.260000      ?             ?      
1 1 1 20 46 32 o 1.580000       1.278000      ?             ?      
1 1 1 20 46 33 o -1.603000      1.552000      ?             ?      
1 1 1 20 46 34 o 0.8612000      2.126000      ?             ?      
1 1 1 20 46 35 o 0.4944000      2.142000      ?             ?      
1 1 1 20 46 36 o 2.971000       1.641000      ?             ?      
1 1 1 20 46 37 o -3.131000      1.667000      ?             ?      
1 1 1 20 46 38 o -1.245000      1.448000      ?             ?      
1 1 1 20 46 39 o -1.850000      1.226000      ?             ?      
1 1 1 20 46 40 o -1.420000      1.257000      ?             ?      
1 1 1 20 46 41 o 0.2009000      1.199000      ?             ?      
1 1 1 20 46 42 o -0.7727000     1.190000      ?             ?      
1 1 1 20 46 43 o 0.3407000      1.210000      ?             ?      
1 1 1 20 46 44 o 0.1550000      1.206000      ?             ?      
1 1 1 20 46 45 o -1.342000      2.142000      ?             ?      
1 1 1 20 46 46 o 1.163000       1.273000      ?             ?      
1 1 1 20 46 47 o -1.931000      1.055000      ?             ?      
1 1 1 20 46 48 o 0.6239000      1.071000      ?             ?      
1 1 1 20 46 49 o 1.186000       1.287000      ?             ?      
1 1 1 20 47 0  o 0.4932000      1.677000      151.9096      180.0  
1 1 1 20 47 1  o -0.2714000     1.256000      238.7728      -156.3 
1 1 1 20 47 2  o -0.5510000     1.141000      68.71436      -33.2  
1 1 1 20 47 3  o 2.597000       1.047000      181.7572      78.8   
1 1 1 20 47 4  o 0.2226000      0.9195000     167.3688      -88.1  
1 1 1 20 47 5  o -0.4164000     0.9998000     80.42380      -141.8 
1 1 1 20 47 6  o 1.861000       0.9912000     184.3170      -160.6 
1 1 1 20 47 7  o -1.353000      1.121000      51.41572      33.7   
1 1 1 20 47 8  o 6.895000       1.250000      380.5807      111.4  
1 1 1 20 47 9  o 3.164000       1.242000      191.8828      -72.3  
1 1 1 20 47 10 o 1.981000       1.234000      145.1086      22.0   
1 1 1 20 47 11 o 0.2136000      1.237000      181.6589      -38.7  
1 1 1 20 47 12 o 0.4685000      1.253000      165.0398      88.8   
1 1 1 20 47 13 o 1.050000       1.198000      60.54239      -178.6 
1 1 1 20 47 14 o 0.9752000E-01  1.229000      ?             ?      
1 1 1 20 47 15 o 3.641000       1.461000      ?             ?      
1 1 1 20 47 16 o 5.579000       2.021000      ?             ?      
1 1 1 20 47 17 o 1.246000       1.534000      ?             ?      
1 1 1 20 47 18 o -0.1200000     1.487000      ?             ?      
1 1 1 20 47 19 o 0.1989000E-01  1.504000      ?             ?      
1 1 1 20 47 20 o -0.5731000     2.164000      ?             ?      
1 1 1 20 47 21 o 3.202000       2.193000      ?             ?      
1 1 1 20 47 22 o 1.877000       1.549000      ?             ?      
1 1 1 20 47 23 o 1.708000       1.568000      ?             ?      
1 1 1 20 47 24 o 3.797000       1.570000      ?             ?      
1 1 1 20 47 25 o 0.4689000      1.543000      ?             ?      
1 1 1 20 47 26 o 1.158000       1.531000      ?             ?      
1 1 1 20 47 27 o 1.404000       1.534000      ?             ?      
1 1 1 20 47 28 o -1.840000      1.513000      ?             ?      
1 1 1 20 47 29 o 0.5374000      1.541000      ?             ?      
1 1 1 20 47 30 o 0.5557000      1.533000      ?             ?      
1 1 1 20 47 31 o -0.3053000E-01 1.528000      ?             ?      
1 1 1 20 47 32 o 0.8246000      1.221000      ?             ?      
1 1 1 20 47 33 o -1.420000      1.263000      ?             ?      
1 1 1 20 47 34 o 2.636000       2.169000      ?             ?      
1 1 1 20 47 35 o 2.162000       2.178000      ?             ?      
1 1 1 20 47 36 o 2.355000       1.621000      ?             ?      
1 1 1 20 47 37 o 2.223000       2.302000      ?             ?      
1 1 1 20 47 38 o -3.050000      2.260000      ?             ?      
1 1 1 20 47 39 o 1.987000       1.447000      ?             ?      
1 1 1 20 47 40 o 1.180000       1.270000      ?             ?      
1 1 1 20 47 41 f 0.7696000E-01  1.267000      ?             ?      
1 1 1 20 47 42 o -0.7960000     1.205000      ?             ?      
1 1 1 20 47 43 o 0.5386000E-01  1.210000      ?             ?      
1 1 1 20 47 44 o 3.316000       1.319000      ?             ?      
1 1 1 20 47 45 o -1.253000      1.023000      ?             ?      
1 1 1 20 47 46 o -0.1982000     1.212000      ?             ?      
1 1 1 20 47 47 o -3.257000      2.118000      ?             ?      
1 1 1 20 48 0  o 2.318000       1.894000      34.93217      0.0    
1 1 1 20 48 1  o 0.6756000      1.249000      122.4601      153.4  
1 1 1 20 48 2  o 1.285000       1.015000      235.5199      7.8    
1 1 1 20 48 3  o 0.9382000      0.9635000     138.6942      66.9   
1 1 1 20 48 4  o 2.189000       0.9248000     221.8265      -172.0 
1 1 1 20 48 5  o 1.641000       0.9467000     123.7866      -6.0   
1 1 1 20 48 6  o 1.319000       0.9752000     89.38329      -115.9 
1 1 1 20 48 7  o 0.5589000      1.039000      73.45757      -65.4  
1 1 1 20 48 8  o 2.511000       1.225000      ?             ?      
1 1 1 20 48 9  o -1.028000      1.191000      ?             ?      
1 1 1 20 48 10 o 1.039000       1.203000      ?             ?      
1 1 1 20 48 11 o 0.1362000      1.192000      ?             ?      
1 1 1 20 48 12 o -1.329000      1.207000      ?             ?      
1 1 1 20 48 13 o -0.6844000     1.196000      ?             ?      
1 1 1 20 48 14 o 1.231000       1.187000      ?             ?      
1 1 1 20 48 15 o -0.7563000     1.383000      ?             ?      
1 1 1 20 48 16 o 1.045000       1.940000      ?             ?      
1 1 1 20 48 17 f 0.3565000      1.471000      ?             ?      
1 1 1 20 48 18 o 0.2794000      1.476000      ?             ?      
1 1 1 20 48 19 o -0.8364000     1.500000      ?             ?      
1 1 1 20 48 20 o 3.368000       2.173000      ?             ?      
1 1 1 20 48 21 o 3.597000       2.141000      ?             ?      
1 1 1 20 48 22 o 1.005000       1.512000      ?             ?      
1 1 1 20 48 23 o 1.791000       1.503000      ?             ?      
1 1 1 20 48 24 o -0.4580000     1.512000      ?             ?      
1 1 1 20 48 25 o 0.7578000      1.520000      ?             ?      
1 1 1 20 48 26 o 3.119000       1.546000      ?             ?      
1 1 1 20 48 27 o -0.4623000E-01 1.533000      ?             ?      
1 1 1 20 48 28 o -0.5757000     1.527000      ?             ?      
1 1 1 20 48 29 o -0.8081000     1.492000      ?             ?      
1 1 1 20 48 30 o 0.9398000      1.505000      ?             ?      
1 1 1 20 48 31 o 1.074000       1.538000      ?             ?      
1 1 1 20 48 32 o 1.777000       1.531000      ?             ?      
1 1 1 20 48 33 o -4.646000      2.089000      ?             ?      
1 1 1 20 48 34 o 0.7540000      1.492000      ?             ?      
1 1 1 20 48 35 o -2.364000      1.587000      ?             ?      
1 1 1 20 48 36 o -2.017000      1.595000      ?             ?      
1 1 1 20 48 37 o -0.6334000     2.215000      ?             ?      
1 1 1 20 48 38 o 0.4424000      1.610000      ?             ?      
1 1 1 20 48 39 o 2.928000       1.697000      ?             ?      
1 1 1 20 48 40 o 1.226000       1.366000      ?             ?      
1 1 1 20 48 41 o 2.426000       1.363000      ?             ?      
1 1 1 20 48 42 o 2.828000       1.362000      ?             ?      
1 1 1 20 48 43 o 0.6896000      1.227000      ?             ?      
1 1 1 20 48 44 o 1.336000       1.235000      ?             ?      
1 1 1 20 48 45 o 1.480000       1.236000      ?             ?      
1 1 1 20 48 46 o -1.157000      2.209000      ?             ?      
1 1 1 20 49 0  o 8.689000       1.963000      ?             ?      
1 1 1 20 49 1  o 0.5539000      1.114000      ?             ?      
1 1 1 20 49 2  o 1.437000       0.9223000     ?             ?      
1 1 1 20 49 3  o 2.180000       1.189000      ?             ?      
1 1 1 20 49 4  o 3.884000       1.215000      ?             ?      
1 1 1 20 49 5  o -0.8447000     1.089000      ?             ?      
1 1 1 20 49 6  o -0.1377000     0.8919000     ?             ?      
1 1 1 20 49 7  o -0.4284000     1.063000      ?             ?      
1 1 1 20 49 8  o -0.3932000     1.121000      ?             ?      
1 1 1 20 49 9  o -0.4711000     1.132000      ?             ?      
1 1 1 20 49 10 o 2.129000       1.178000      ?             ?      
1 1 1 20 49 11 o 0.8449000      1.172000      ?             ?      
1 1 1 20 49 12 o -0.5064000     1.208000      ?             ?      
1 1 1 20 49 13 o 0.5993000      1.202000      ?             ?      
1 1 1 20 49 14 o 0.4494000      1.341000      ?             ?      
1 1 1 20 49 15 o 0.1808000      1.374000      ?             ?      
1 1 1 20 49 16 o -2.275000      1.451000      ?             ?      
1 1 1 20 49 17 o 1.265000       1.441000      ?             ?      
1 1 1 20 49 18 o 2.582000       1.493000      ?             ?      
1 1 1 20 49 19 o 2.287000       2.123000      ?             ?      
1 1 1 20 49 20 o 2.651000       2.099000      ?             ?      
1 1 1 20 49 21 o 1.444000       1.526000      ?             ?      
1 1 1 20 49 22 o 1.466000       1.506000      ?             ?      
1 1 1 20 49 23 o 0.7465000E-01  1.485000      ?             ?      
1 1 1 20 49 24 f 0.6164000      1.488000      ?             ?      
1 1 1 20 49 25 o 2.058000       1.501000      ?             ?      
1 1 1 20 49 26 o -2.413000      1.495000      ?             ?      
1 1 1 20 49 27 o 0.4842000      1.494000      ?             ?      
1 1 1 20 49 28 o 2.930000       1.551000      ?             ?      
1 1 1 20 49 29 o 0.8589000      1.516000      ?             ?      
1 1 1 20 49 30 o 2.142000       1.535000      ?             ?      
1 1 1 20 49 31 o 2.235000       1.550000      ?             ?      
1 1 1 20 49 32 o 0.9028000      1.614000      ?             ?      
1 1 1 20 49 33 o -1.832000      2.100000      ?             ?      
1 1 1 20 49 34 o 0.2888000E-01  1.605000      ?             ?      
1 1 1 20 49 35 o 0.8099000      1.280000      ?             ?      
1 1 1 20 49 36 o -0.1870000     2.249000      ?             ?      
1 1 1 20 49 37 o -1.136000      2.271000      ?             ?      
1 1 1 20 49 38 o -1.291000      1.637000      ?             ?      
1 1 1 20 49 39 o -0.3874000     1.628000      ?             ?      
1 1 1 20 49 40 o 1.746000       1.724000      ?             ?      
1 1 1 20 49 41 o -0.4425000     1.436000      ?             ?      
1 1 1 20 49 42 f -0.4933000E-03 1.406000      ?             ?      
1 1 1 20 49 43 o 0.3671000      1.341000      ?             ?      
1 1 1 20 49 44 o 0.2012000      1.250000      ?             ?      
1 1 1 20 49 45 o 0.2009000      1.761000      ?             ?      
1 1 1 20 50 0  o -0.2073000     2.314000      ?             ?      
1 1 1 20 50 1  o -0.6981000     1.125000      ?             ?      
1 1 1 20 50 2  o -0.7371000E-01 1.004000      ?             ?      
1 1 1 20 50 3  o 0.3348000      0.9007000     ?             ?      
1 1 1 20 50 4  o -0.1476000     1.024000      ?             ?      
1 1 1 20 50 5  o 0.7812000      1.095000      ?             ?      
1 1 1 20 50 6  o 0.3652000      0.9569000     ?             ?      
1 1 1 20 50 7  o 0.6678000      0.9517000     ?             ?      
1 1 1 20 50 8  o 1.576000       1.166000      ?             ?      
1 1 1 20 50 9  o 1.015000       1.123000      ?             ?      
1 1 1 20 50 10 o -0.4262000     1.179000      ?             ?      
1 1 1 20 50 11 f 0.4487000      1.191000      ?             ?      
1 1 1 20 50 12 o 0.3825000      1.212000      ?             ?      
1 1 1 20 50 13 o 0.9149000      1.222000      ?             ?      
1 1 1 20 50 14 o -2.543000      1.324000      ?             ?      
1 1 1 20 50 15 o -1.281000      1.357000      ?             ?      
1 1 1 20 50 16 o 0.6613000      1.420000      ?             ?      
1 1 1 20 50 17 o -2.446000      1.435000      ?             ?      
1 1 1 20 50 18 o -1.420000      1.445000      ?             ?      
1 1 1 20 50 19 o -0.7856000     2.055000      ?             ?      
1 1 1 20 50 20 o 2.652000       2.085000      ?             ?      
1 1 1 20 50 21 o -0.9525000     1.504000      ?             ?      
1 1 1 20 50 22 o -0.6220000     1.493000      ?             ?      
1 1 1 20 50 23 o 0.4886000      1.509000      ?             ?      
1 1 1 20 50 24 o -2.230000      1.484000      ?             ?      
1 1 1 20 50 25 o 2.526000       1.501000      ?             ?      
1 1 1 20 50 26 o -3.166000      1.474000      ?             ?      
1 1 1 20 50 27 o 1.191000       1.517000      ?             ?      
1 1 1 20 50 28 o 2.186000       1.531000      ?             ?      
1 1 1 20 50 29 o -1.024000      1.515000      ?             ?      
1 1 1 20 50 30 o -0.8055000     1.519000      ?             ?      
1 1 1 20 50 31 o -1.965000      1.575000      ?             ?      
1 1 1 20 50 32 o -1.404000      2.113000      ?             ?      
1 1 1 20 50 33 o 2.166000       2.165000      ?             ?      
1 1 1 20 50 34 o -0.5465000     1.622000      ?             ?      
1 1 1 20 50 35 o -0.7462000     2.209000      ?             ?      
1 1 1 20 50 36 o 2.245000       2.310000      ?             ?      
1 1 1 20 50 37 o 0.8503000      1.648000      ?             ?      
1 1 1 20 50 38 o 2.447000       1.686000      ?             ?      
1 1 1 20 50 39 o 1.071000       1.021000      ?             ?      
1 1 1 20 50 40 o 0.8617000      1.720000      ?             ?      
1 1 1 20 50 41 o -1.813000      1.740000      ?             ?      
1 1 1 20 50 42 f 2.378000       1.794000      ?             ?      
1 1 1 20 50 43 o 0.3490000      1.781000      ?             ?      
1 1 1 20 51 0  o -1.613000      1.321000      ?             ?      
1 1 1 20 51 1  o 1.071000       1.541000      ?             ?      
1 1 1 20 51 2  o -2.974000      1.678000      ?             ?      
1 1 1 20 51 3  o 0.6139000E-01  0.8829000     ?             ?      
1 1 1 20 51 4  o 1.018000       0.8333000     ?             ?      
1 1 1 20 51 5  o -0.8370000     0.8489000     ?             ?      
1 1 1 20 51 6  o 0.8733000      0.8697000     ?             ?      
1 1 1 20 51 7  o 0.1352000      0.8607000     ?             ?      
1 1 1 20 51 8  o 0.5686000      0.9046000     ?             ?      
1 1 1 20 51 9  o 0.1042000E-01  1.139000      ?             ?      
1 1 1 20 51 10 o 0.4267000E-01  1.209000      ?             ?      
1 1 1 20 51 11 o -2.926000      1.195000      ?             ?      
1 1 1 20 51 12 o 0.8986000      1.200000      ?             ?      
1 1 1 20 51 13 o -3.254000      1.351000      ?             ?      
1 1 1 20 51 14 o -0.4431000     1.335000      ?             ?      
1 1 1 20 51 15 o 2.075000       1.186000      ?             ?      
1 1 1 20 51 16 o -1.594000      1.387000      ?             ?      
1 1 1 20 51 17 o 1.429000       1.436000      ?             ?      
1 1 1 20 51 18 o -2.780000      3.884000      ?             ?      
1 1 1 20 51 19 o -0.9927000     2.043000      ?             ?      
1 1 1 20 51 20 o 0.6967000      1.512000      ?             ?      
1 1 1 20 51 21 o 2.634000       1.548000      ?             ?      
1 1 1 20 51 22 o 2.186000       1.536000      ?             ?      
1 1 1 20 51 23 o -0.7776000     1.478000      ?             ?      
1 1 1 20 51 24 o -0.3452000     1.473000      ?             ?      
1 1 1 20 51 25 o -0.3776000     1.460000      ?             ?      
1 1 1 20 51 26 o 0.7257000      1.500000      ?             ?      
1 1 1 20 51 27 o 1.285000       1.507000      ?             ?      
1 1 1 20 51 28 o -0.2005000     1.534000      ?             ?      
1 1 1 20 51 29 o 0.2160000      1.547000      ?             ?      
1 1 1 20 51 30 o -0.7154000     1.571000      ?             ?      
1 1 1 20 51 31 o 3.531000       2.148000      ?             ?      
1 1 1 20 51 32 o 0.8305000      2.152000      ?             ?      
1 1 1 20 51 33 o 0.5071000      1.641000      ?             ?      
1 1 1 20 51 34 o -1.376000      1.630000      ?             ?      
1 1 1 20 51 35 o 4.530000       2.313000      ?             ?      
1 1 1 20 51 36 o 3.709000       4.516000      ?             ?      
1 1 1 20 51 37 o 0.3558000      1.656000      ?             ?      
1 1 1 20 51 38 o -2.435000      1.115000      ?             ?      
1 1 1 20 51 39 o -0.9401000E-01 1.723000      ?             ?      
1 1 1 20 51 40 o -3.656000      1.672000      ?             ?      
1 1 1 20 51 41 o -0.4956000     1.724000      ?             ?      
1 1 1 20 51 42 o 0.9353000      1.786000      ?             ?      
1 1 1 20 52 0  o -1.722000      1.264000      ?             ?      
1 1 1 20 52 1  o 1.165000       1.148000      ?             ?      
1 1 1 20 52 2  f 0.2459000      1.015000      ?             ?      
1 1 1 20 52 3  o 0.6558000      0.8363000     ?             ?      
1 1 1 20 52 4  o -0.8305000     0.8198000     ?             ?      
1 1 1 20 52 5  o 0.1163000      0.8468000     ?             ?      
1 1 1 20 52 6  o 0.9646000      0.9255000     ?             ?      
1 1 1 20 52 7  o -0.6896000     0.8305000     ?             ?      
1 1 1 20 52 8  o -0.7835000     0.8502000     ?             ?      
1 1 1 20 52 9  o 1.470000       1.127000      ?             ?      
1 1 1 20 52 10 o 1.588000       1.376000      ?             ?      
1 1 1 20 52 11 o 0.7615000      1.376000      ?             ?      
1 1 1 20 52 12 f -0.8991000     1.207000      ?             ?      
1 1 1 20 52 13 o 0.2961000      1.353000      ?             ?      
1 1 1 20 52 14 o -1.350000      1.362000      ?             ?      
1 1 1 20 52 15 o 0.7880000E-01  1.168000      ?             ?      
1 1 1 20 52 16 o 2.276000       1.408000      ?             ?      
1 1 1 20 52 17 o 0.1477000      1.439000      ?             ?      
1 1 1 20 52 18 o 0.4645000      2.042000      ?             ?      
1 1 1 20 52 19 o -1.137000      2.100000      ?             ?      
1 1 1 20 52 20 o -0.8757000     1.466000      ?             ?      
1 1 1 20 52 21 o -0.6948000E-01 1.468000      ?             ?      
1 1 1 20 52 22 o -1.462000      1.463000      ?             ?      
1 1 1 20 52 23 o -1.422000      1.465000      ?             ?      
1 1 1 20 52 24 o 0.7679000E-01  1.491000      ?             ?      
1 1 1 20 52 25 o 3.925000       1.525000      ?             ?      
1 1 1 20 52 26 o -0.3294000     1.061000      ?             ?      
1 1 1 20 52 27 o 1.545000       1.528000      ?             ?      
1 1 1 20 52 28 o 0.6527000      1.520000      ?             ?      
1 1 1 20 52 29 o -1.975000      1.591000      ?             ?      
1 1 1 20 52 30 o 0.4434000      1.632000      ?             ?      
1 1 1 20 52 31 o 0.8994000      2.139000      ?             ?      
1 1 1 20 52 32 o 0.2993000      2.219000      ?             ?      
1 1 1 20 52 33 o 1.495000       1.710000      ?             ?      
1 1 1 20 52 34 f -2.740000      2.345000      ?             ?      
1 1 1 20 52 35 o 0.9275000      2.330000      ?             ?      
1 1 1 20 52 36 o -0.3664000     1.683000      ?             ?      
1 1 1 20 52 37 o 1.563000       1.724000      ?             ?      
1 1 1 20 52 38 o 1.095000       1.712000      ?             ?      
1 1 1 20 52 39 o 0.9176000      1.731000      ?             ?      
1 1 1 20 52 40 o -2.250000      1.385000      ?             ?      
1 1 1 20 53 0  o 0.4207000      1.220000      ?             ?      
1 1 1 20 53 1  o -2.050000      0.9473000     ?             ?      
1 1 1 20 53 2  o 0.6253000      0.9236000     ?             ?      
1 1 1 20 53 3  o 0.6919000      0.8144000     ?             ?      
1 1 1 20 53 4  o -1.079000      0.8085000     ?             ?      
1 1 1 20 53 5  o 0.9877000      0.8972000     ?             ?      
1 1 1 20 53 6  o 3.216000       1.070000      ?             ?      
1 1 1 20 53 7  o -0.8312000     0.8322000     ?             ?      
1 1 1 20 53 8  o -0.9261000     0.8366000     ?             ?      
1 1 1 20 53 9  o -0.1933000     1.272000      ?             ?      
1 1 1 20 53 10 o -0.6210000     1.298000      ?             ?      
1 1 1 20 53 11 o -0.5522000     1.128000      ?             ?      
1 1 1 20 53 12 o 0.1487000      1.341000      ?             ?      
1 1 1 20 53 13 o 1.933000       1.756000      ?             ?      
1 1 1 20 53 14 o 1.728000       1.389000      ?             ?      
1 1 1 20 53 15 o -1.469000      1.340000      ?             ?      
1 1 1 20 53 16 o -2.483000      1.404000      ?             ?      
1 1 1 20 53 17 o -1.303000      1.456000      ?             ?      
1 1 1 20 53 18 o 1.272000       2.080000      ?             ?      
1 1 1 20 53 19 o 0.5428000      1.456000      ?             ?      
1 1 1 20 53 20 o 0.5185000      1.443000      ?             ?      
1 1 1 20 53 21 o 0.3530000      1.473000      ?             ?      
1 1 1 20 53 22 o 2.840000       1.494000      ?             ?      
1 1 1 20 53 23 o 2.275000       1.505000      ?             ?      
1 1 1 20 53 24 o -0.1268000     1.501000      ?             ?      
1 1 1 20 53 25 o 1.296000       1.483000      ?             ?      
1 1 1 20 53 26 o -0.2838000     1.560000      ?             ?      
1 1 1 20 53 27 o -0.7958000     1.592000      ?             ?      
1 1 1 20 53 28 o 0.7272000      1.611000      ?             ?      
1 1 1 20 53 29 o -0.8973000     1.633000      ?             ?      
1 1 1 20 53 30 o -0.5998000     2.142000      ?             ?      
1 1 1 20 53 31 o 1.805000       2.159000      ?             ?      
1 1 1 20 53 32 o 0.4053000      1.639000      ?             ?      
1 1 1 20 53 33 o -0.1816000     1.626000      ?             ?      
1 1 1 20 53 34 o 1.602000       2.277000      ?             ?      
1 1 1 20 53 35 o 3.125000       2.358000      ?             ?      
1 1 1 20 53 36 o 2.314000       1.703000      ?             ?      
1 1 1 20 53 37 o -0.8795000     1.718000      ?             ?      
1 1 1 20 53 38 o 0.7303000      1.747000      ?             ?      
1 1 1 20 54 0  o -0.4387000     1.198000      ?             ?      
1 1 1 20 54 1  o 0.1352000      0.9341000     ?             ?      
1 1 1 20 54 2  o 0.5336000      0.9119000     ?             ?      
1 1 1 20 54 3  o -1.369000      0.7996000     ?             ?      
1 1 1 20 54 4  o -1.679000      0.7869000     ?             ?      
1 1 1 20 54 5  o -0.3300000     0.8062000     ?             ?      
1 1 1 20 54 6  o -0.3143000     0.8967000     ?             ?      
1 1 1 20 54 7  o -1.485000      0.8154000     ?             ?      
1 1 1 20 54 8  o -1.159000      0.8945000     ?             ?      
1 1 1 20 54 9  o 0.3643000      1.099000      ?             ?      
1 1 1 20 54 10 o 0.1341000      1.127000      ?             ?      
1 1 1 20 54 11 o -0.3857000     1.293000      ?             ?      
1 1 1 20 54 12 o -0.1858000     1.315000      ?             ?      
1 1 1 20 54 13 o 0.2827000      1.334000      ?             ?      
1 1 1 20 54 14 o 0.5937000      1.337000      ?             ?      
1 1 1 20 54 15 o -1.068000      1.124000      ?             ?      
1 1 1 20 54 16 o -0.3829000     1.414000      ?             ?      
1 1 1 20 54 17 o 2.441000       2.041000      ?             ?      
1 1 1 20 54 18 o 0.1009000      2.062000      ?             ?      
1 1 1 20 54 19 o 1.901000       2.116000      ?             ?      
1 1 1 20 54 20 o 1.708000       1.485000      ?             ?      
1 1 1 20 54 21 o 0.5125000      1.485000      ?             ?      
1 1 1 20 54 22 o 2.554000       1.506000      ?             ?      
1 1 1 20 54 23 o -2.233000      1.493000      ?             ?      
1 1 1 20 54 24 o -2.107000      1.543000      ?             ?      
1 1 1 20 54 25 o -0.7249000     1.561000      ?             ?      
1 1 1 20 54 26 o 0.8038000      1.622000      ?             ?      
1 1 1 20 54 27 o -0.5590000     1.569000      ?             ?      
1 1 1 20 54 28 o 0.6845000      1.578000      ?             ?      
1 1 1 20 54 29 o 1.375000       1.612000      ?             ?      
1 1 1 20 54 30 o -1.470000      2.127000      ?             ?      
1 1 1 20 54 31 o 1.600000       1.660000      ?             ?      
1 1 1 20 54 32 f 0.8569000      1.673000      ?             ?      
1 1 1 20 54 33 o -3.408000      2.323000      ?             ?      
1 1 1 20 54 34 o -0.4897000     2.355000      ?             ?      
1 1 1 20 54 35 o -1.089000      1.648000      ?             ?      
1 1 1 20 54 36 o -1.792000      1.662000      ?             ?      
1 1 1 20 54 37 o 1.440000       4.691000      ?             ?      
1 1 1 20 55 0  o 1.493000       1.175000      ?             ?      
1 1 1 20 55 1  o 0.1199000      0.9179000     ?             ?      
1 1 1 20 55 2  o 0.4570000      0.8947000     ?             ?      
1 1 1 20 55 3  o 0.1879000E-01  0.8853000     ?             ?      
1 1 1 20 55 4  o 1.032000       0.7900000     ?             ?      
1 1 1 20 55 5  o -0.1830000E-01 0.7900000     ?             ?      
1 1 1 20 55 6  f 0.3748000      0.8856000     ?             ?      
1 1 1 20 55 7  o 0.1108000      0.8166000     ?             ?      
1 1 1 20 55 8  o 2.272000       0.8383000     ?             ?      
1 1 1 20 55 9  f -0.4551000     1.084000      ?             ?      
1 1 1 20 55 10 o -0.1851000     1.105000      ?             ?      
1 1 1 20 55 11 o -0.4444000     1.287000      ?             ?      
1 1 1 20 55 12 o 1.108000       1.326000      ?             ?      
1 1 1 20 55 13 o -1.257000      1.170000      ?             ?      
1 1 1 20 55 14 o 0.3666000      1.161000      ?             ?      
1 1 1 20 55 15 o -0.3789000     1.140000      ?             ?      
1 1 1 20 55 16 o -0.8455000     1.871000      ?             ?      
1 1 1 20 55 17 o 0.4166000      0.9369000     ?             ?      
1 1 1 20 55 18 o -0.5240000     2.088000      ?             ?      
1 1 1 20 55 19 o -1.835000      1.440000      ?             ?      
1 1 1 20 55 20 o -0.1845000     1.495000      ?             ?      
1 1 1 20 55 21 o 0.1043000      2.096000      ?             ?      
1 1 1 20 55 22 o -1.127000      2.071000      ?             ?      
1 1 1 20 55 23 o 0.2439000      2.097000      ?             ?      
1 1 1 20 55 24 o -1.572000      1.581000      ?             ?      
1 1 1 20 55 25 o 1.849000       1.577000      ?             ?      
1 1 1 20 55 26 o 1.134000       1.567000      ?             ?      
1 1 1 20 55 27 o 1.819000       1.588000      ?             ?      
1 1 1 20 55 28 o -1.018000      1.541000      ?             ?      
1 1 1 20 55 29 o -0.2173000     2.130000      ?             ?      
1 1 1 20 55 30 o -0.4293000     4.176000      ?             ?      
1 1 1 20 55 31 o 0.6531000      1.609000      ?             ?      
1 1 1 20 55 32 o 2.454000       1.635000      ?             ?      
1 1 1 20 55 33 o -3.037000      2.311000      ?             ?      
1 1 1 20 55 34 o 1.028000       2.342000      ?             ?      
1 1 1 20 55 35 o 3.218000       4.569000      ?             ?      
1 1 1 20 56 0  o 0.1365000      1.173000      ?             ?      
1 1 1 20 56 1  o 0.3713000      0.9160000     ?             ?      
1 1 1 20 56 2  o -0.9057000     0.9184000     ?             ?      
1 1 1 20 56 3  o -0.4814000     0.8703000     ?             ?      
1 1 1 20 56 4  o 1.376000       0.7761000     ?             ?      
1 1 1 20 56 5  o 1.062000       0.7800000     ?             ?      
1 1 1 20 56 6  o 0.1506000      0.8831000     ?             ?      
1 1 1 20 56 7  o 0.8481000      0.8068000     ?             ?      
1 1 1 20 56 8  o 1.418000       1.100000      ?             ?      
1 1 1 20 56 9  o -0.7147000     1.088000      ?             ?      
1 1 1 20 56 10 o 2.663000       1.278000      ?             ?      
1 1 1 20 56 11 o -0.3576000     1.279000      ?             ?      
1 1 1 20 56 12 o 0.5198000      1.340000      ?             ?      
1 1 1 20 56 13 o -0.2369000     1.145000      ?             ?      
1 1 1 20 56 14 o -1.351000      1.172000      ?             ?      
1 1 1 20 56 15 o -0.2730000     1.407000      ?             ?      
1 1 1 20 56 16 o 1.480000       2.069000      ?             ?      
1 1 1 20 56 17 o 1.350000       2.087000      ?             ?      
1 1 1 20 56 18 o 1.843000       1.430000      ?             ?      
1 1 1 20 56 19 o 2.119000       1.478000      ?             ?      
1 1 1 20 56 20 o -0.6529000     1.965000      ?             ?      
1 1 1 20 56 21 o -1.261000      1.952000      ?             ?      
1 1 1 20 56 22 f 0.5128000      1.550000      ?             ?      
1 1 1 20 56 23 o 1.023000       1.597000      ?             ?      
1 1 1 20 56 24 o -0.6336000     1.558000      ?             ?      
1 1 1 20 56 25 o 0.6682000      2.206000      ?             ?      
1 1 1 20 56 26 o -5.561000      4.305000      ?             ?      
1 1 1 20 56 27 o 0.2349000      0.9374000     ?             ?      
1 1 1 20 56 28 f 1.884000       2.151000      ?             ?      
1 1 1 20 56 29 o -2.361000      2.091000      ?             ?      
1 1 1 20 56 30 o -1.064000      1.615000      ?             ?      
1 1 1 20 56 31 o -1.027000      1.595000      ?             ?      
1 1 1 20 56 32 o 0.4791000      2.320000      ?             ?      
1 1 1 20 57 0  o 0.4359000      1.177000      ?             ?      
1 1 1 20 57 1  o -1.202000      0.8103000     ?             ?      
1 1 1 20 57 2  o 0.5140000      0.9192000     ?             ?      
1 1 1 20 57 3  o -1.360000      0.8642000     ?             ?      
1 1 1 20 57 4  o 0.9083000      0.7740000     ?             ?      
1 1 1 20 57 5  o 0.5225000      0.7814000     ?             ?      
1 1 1 20 57 6  o -0.6651000     0.8755000     ?             ?      
1 1 1 20 57 7  o 0.6009000E-01  0.8018000     ?             ?      
1 1 1 20 57 8  o -1.113000      1.109000      ?             ?      
1 1 1 20 57 9  o -0.1987000     1.092000      ?             ?      
1 1 1 20 57 10 o -0.8564000     1.261000      ?             ?      
1 1 1 20 57 11 o -0.2783000     0.9985000     ?             ?      
1 1 1 20 57 12 o -0.4089000E-01 1.185000      ?             ?      
1 1 1 20 57 13 o 1.561000       1.167000      ?             ?      
1 1 1 20 57 14 o -0.1965000     1.173000      ?             ?      
1 1 1 20 57 15 o -0.7479000     1.408000      ?             ?      
1 1 1 20 57 16 o -0.7759000     2.040000      ?             ?      
1 1 1 20 57 17 o -0.1270000     2.016000      ?             ?      
1 1 1 20 57 18 o 2.021000       1.464000      ?             ?      
1 1 1 20 57 19 o 0.9152000      1.458000      ?             ?      
1 1 1 20 57 20 o 1.602000       1.453000      ?             ?      
1 1 1 20 57 21 o -0.3168000     1.561000      ?             ?      
1 1 1 20 57 22 o -0.4223000     1.576000      ?             ?      
1 1 1 20 57 23 o -1.101000      2.035000      ?             ?      
1 1 1 20 57 24 o 1.787000       4.112000      ?             ?      
1 1 1 20 57 25 o 0.2629000      0.9069000     ?             ?      
1 1 1 20 57 26 o -0.1959000     2.049000      ?             ?      
1 1 1 20 57 27 o -0.4071000     1.576000      ?             ?      
1 1 1 20 57 28 o 1.212000       0.9222000     ?             ?      
1 1 1 20 57 29 o 0.9949000      0.9678000     ?             ?      
1 1 1 20 57 30 o -5.735000      4.505000      ?             ?      
1 1 1 20 58 0  o -0.7300000     1.169000      ?             ?      
1 1 1 20 58 1  o -1.268000      0.8166000     ?             ?      
1 1 1 20 58 2  o 0.9348000      0.9186000     ?             ?      
1 1 1 20 58 3  o -0.3940000     0.8670000     ?             ?      
1 1 1 20 58 4  o -0.6108000     0.7753000     ?             ?      
1 1 1 20 58 5  o 0.5046000      0.7763000     ?             ?      
1 1 1 20 58 6  o 0.2343000      0.8699000     ?             ?      
1 1 1 20 58 7  o 0.4097000      0.8063000     ?             ?      
1 1 1 20 58 8  o -0.4086000     1.108000      ?             ?      
1 1 1 20 58 9  o 1.791000       1.252000      ?             ?      
1 1 1 20 58 10 o 0.4763000      1.266000      ?             ?      
1 1 1 20 58 11 o -0.3887000     1.299000      ?             ?      
1 1 1 20 58 12 o -0.3023000     1.146000      ?             ?      
1 1 1 20 58 13 o 0.9718000      1.176000      ?             ?      
1 1 1 20 58 14 o -0.3831000     1.186000      ?             ?      
1 1 1 20 58 15 o 0.5290000      2.061000      ?             ?      
1 1 1 20 58 16 o 0.5287000      2.029000      ?             ?      
1 1 1 20 58 17 o 1.189000       2.022000      ?             ?      
1 1 1 20 58 18 o -0.7045000E-01 1.442000      ?             ?      
1 1 1 20 58 19 o -1.892000      1.455000      ?             ?      
1 1 1 20 58 20 o 5.733000       2.809000      ?             ?      
1 1 1 20 58 21 o 1.743000       1.568000      ?             ?      
1 1 1 20 58 22 o 2.183000       1.559000      ?             ?      
1 1 1 20 58 23 o 1.177000       1.549000      ?             ?      
1 1 1 20 58 24 o 1.772000       1.531000      ?             ?      
1 1 1 20 58 25 o 0.8179000      1.565000      ?             ?      
1 1 1 20 58 26 o 2.252000       2.256000      ?             ?      
1 1 1 20 58 27 < 0.000000       -1.000000     ?             ?      
1 1 1 20 59 0  o -0.2452000E-01 1.104000      ?             ?      
1 1 1 20 59 1  o -1.949000      0.9199000     ?             ?      
1 1 1 20 59 2  o -0.9993000     0.9291000     ?             ?      
1 1 1 20 59 3  o 0.7945000      0.8839000     ?             ?      
1 1 1 20 59 4  o 0.1870000      0.7922000     ?             ?      
1 1 1 20 59 5  o 0.4742000      0.7894000     ?             ?      
1 1 1 20 59 6  o 0.4256000      0.8825000     ?             ?      
1 1 1 20 59 7  o 0.1324000      0.8826000     ?             ?      
1 1 1 20 59 8  o -1.063000      1.114000      ?             ?      
1 1 1 20 59 9  o -0.7614000     1.268000      ?             ?      
1 1 1 20 59 10 o -1.184000      1.283000      ?             ?      
1 1 1 20 59 11 o 0.3272000      1.124000      ?             ?      
1 1 1 20 59 12 o -2.279000      1.148000      ?             ?      
1 1 1 20 59 13 o -0.2617000E-01 1.169000      ?             ?      
1 1 1 20 59 14 o -0.1644000     1.208000      ?             ?      
1 1 1 20 59 15 o 4.071000       2.073000      ?             ?      
1 1 1 20 59 16 o 2.315000       2.015000      ?             ?      
1 1 1 20 59 17 o 0.1838000      1.437000      ?             ?      
1 1 1 20 59 18 o 1.081000       1.491000      ?             ?      
1 1 1 20 59 19 o 1.376000       1.480000      ?             ?      
1 1 1 20 59 20 o 1.776000       1.232000      ?             ?      
1 1 1 20 59 21 o 1.335000       2.827000      ?             ?      
1 1 1 20 59 22 o -2.507000      2.156000      ?             ?      
1 1 1 20 59 23 o 3.751000       2.225000      ?             ?      
1 1 1 20 59 24 o 1.541000       2.222000      ?             ?      
1 1 1 20 60 0  o 0.2132000      1.116000      ?             ?      
1 1 1 20 60 1  o -0.1997000     0.9303000     ?             ?      
1 1 1 20 60 2  o 0.6464000      0.9614000     ?             ?      
1 1 1 20 60 3  o -0.7301000     0.8875000     ?             ?      
1 1 1 20 60 4  o 0.2976000      0.8001000     ?             ?      
1 1 1 20 60 5  o 0.5729000      0.8060000     ?             ?      
1 1 1 20 60 6  o -0.2047000     0.8910000     ?             ?      
1 1 1 20 60 7  o -0.1906000     0.8867000     ?             ?      
1 1 1 20 60 8  o 1.288000       1.278000      ?             ?      
1 1 1 20 60 9  o 1.910000       1.299000      ?             ?      
1 1 1 20 60 10 o -0.1027000     1.291000      ?             ?      
1 1 1 20 60 11 o 1.321000       1.202000      ?             ?      
1 1 1 20 60 12 o 0.6879000      1.126000      ?             ?      
1 1 1 20 60 13 o 0.1746000      1.183000      ?             ?      
1 1 1 20 60 14 o 1.135000       1.212000      ?             ?      
1 1 1 20 60 15 o 0.4763000      2.036000      ?             ?      
1 1 1 20 60 16 o -1.965000      2.013000      ?             ?      
1 1 1 20 60 17 o -0.6166000     1.480000      ?             ?      
1 1 1 20 60 18 o 0.5831000      2.108000      ?             ?      
1 1 1 20 60 19 o -1.592000      2.159000      ?             ?      
1 1 1 20 60 20 o 4.469000       2.225000      ?             ?      
1 1 1 20 60 21 o -0.2315000     2.191000      ?             ?      
1 1 1 20 61 0  o 0.4814000      1.126000      ?             ?      
1 1 1 20 61 1  o -1.235000      0.9448000     ?             ?      
1 1 1 20 61 2  o 0.2501000      0.9685000     ?             ?      
1 1 1 20 61 3  o 0.6471000      0.9422000     ?             ?      
1 1 1 20 61 4  o 0.1077000E-01  0.8509000     ?             ?      
1 1 1 20 61 5  o -0.7934000E-02 1.070000      ?             ?      
1 1 1 20 61 6  o 1.061000       1.038000      ?             ?      
1 1 1 20 61 7  o -0.5545000     0.9963000     ?             ?      
1 1 1 20 61 8  o 0.1562000      1.333000      ?             ?      
1 1 1 20 61 9  o -0.3630000     1.183000      ?             ?      
1 1 1 20 61 10 o 1.075000       1.368000      ?             ?      
1 1 1 20 61 11 o -0.2109000     1.381000      ?             ?      
1 1 1 20 61 12 o 1.158000       1.390000      ?             ?      
1 1 1 20 61 13 o 0.3331000      1.452000      ?             ?      
1 1 1 20 61 14 o -0.5164000E-01 1.486000      ?             ?      
1 1 1 20 61 15 o -0.3398000     2.138000      ?             ?      
1 1 1 20 61 16 o -4.865000      4.020000      ?             ?      
1 1 1 20 61 17 o -1.622000      2.147000      ?             ?      
1 1 1 20 62 0  o 0.4769000      1.214000      ?             ?      
1 1 1 20 62 1  o 5.825000       1.569000      ?             ?      
1 1 1 20 62 2  o 0.1639000      1.005000      ?             ?      
1 1 1 20 62 3  o -0.9762000     0.9838000     ?             ?      
1 1 1 20 62 4  o -0.1236000     0.8727000     ?             ?      
1 1 1 20 62 5  o -0.4365000     1.137000      ?             ?      
1 1 1 20 62 6  o -0.6069000     0.8752000     ?             ?      
1 1 1 20 62 7  o 1.063000       1.067000      ?             ?      
1 1 1 20 62 8  o 0.5785000      1.681000      ?             ?      
1 1 1 20 62 9  < 0.000000       -1.000000     ?             ?      
1 1 1 20 62 10 o 0.3349000      1.993000      ?             ?      
1 1 1 20 62 11 o 0.2887000      2.050000      ?             ?      
1 1 1 20 62 12 o 1.482000       1.342000      ?             ?      
1 1 1 21 0  1  o -2.406000      0.9793000     49.19721      -90.0  
1 1 1 21 0  2  o -1.896000      0.9846000     227.9991      -0.0   
1 1 1 21 0  3  o -2.202000      0.9419000     87.38373      -90.0  
1 1 1 21 0  4  o -0.3359000     0.9438000     108.8059      -0.0   
1 1 1 21 0  5  o -0.5378000E-01 0.9562000     214.7738      90.0   
1 1 1 21 0  6  o 0.5873000      0.9837000     62.68979      -180.0 
1 1 1 21 0  7  o 1.446000       0.9922000     4.696197      90.0   
1 1 1 21 0  8  o -1.757000      1.021000      185.2948      0.0    
1 1 1 21 0  9  o 2.486000       1.043000      94.85481      90.0   
1 1 1 21 0  10 o 1.438000       1.024000      32.78373      -180.0 
1 1 1 21 0  11 o 0.7821000      1.056000      121.8804      -90.0  
1 1 1 21 0  12 o 0.1265000      1.112000      2.106088      -180.0 
1 1 1 21 0  13 o 1.007000       1.240000      288.1882      90.0   
1 1 1 21 0  14 o 1.978000       1.330000      151.7878      -180.0 
1 1 1 21 0  15 o -0.4012000     1.854000      184.8838      -90.0  
1 1 1 21 0  16 o -0.7102000E-01 2.107000      124.7243      -0.0   
1 1 1 21 0  17 o 1.051000       3.370000      115.5055      90.0   
1 1 1 21 0  18 o -0.7425000E-01 2.228000      15.47378      0.0    
1 1 1 21 0  19 o 2.987000       1.946000      51.92009      -90.0  
1 1 1 21 0  20 o 1.340000       1.526000      193.0028      0.0    
1 1 1 21 0  21 o -2.278000      1.527000      38.68509      -90.0  
1 1 1 21 0  22 o -1.944000      1.534000      75.72034      0.0    
1 1 1 21 0  23 o 1.171000       1.521000      142.7602      -90.0  
1 1 1 21 0  24 o 1.935000       1.485000      233.3673      -0.0   
1 1 1 21 0  25 o -0.5781000     1.456000      221.7376      90.0   
1 1 1 21 0  26 o 3.343000       1.473000      82.95546      -0.0   
1 1 1 21 0  27 o -1.346000      1.429000      492.3555      -90.0  
1 1 1 21 0  28 o -1.555000      1.416000      74.05172      -0.0   
1 1 1 21 0  29 o 0.1529000      1.391000      17.32417      -90.0  
1 1 1 21 0  30 o 2.185000       1.394000      52.42301      -0.0   
1 1 1 21 0  31 o -0.4431000     1.415000      28.98259      -90.0  
1 1 1 21 0  32 o -2.995000      1.693000      88.53517      -0.0   
1 1 1 21 0  33 o -0.9981000     1.421000      53.42170      90.0   
1 1 1 21 0  34 o 1.975000       1.426000      221.4038      -180.0 
1 1 1 21 0  35 o -0.1091000     1.420000      10.45304      -90.0  
1 1 1 21 0  36 o 0.3503000      1.466000      74.00787      -180.0 
1 1 1 21 0  37 o 0.3721000      1.491000      78.02135      -90.0  
1 1 1 21 0  38 o -0.4854000     1.518000      27.35040      -0.0   
1 1 1 21 0  39 o 3.436000       1.761000      187.3320      90.0   
1 1 1 21 0  40 o -1.492000      2.318000      164.0692      -180.0 
1 1 1 21 0  41 o -1.021000      3.443000      46.39253      90.0   
1 1 1 21 0  42 o 1.824000       3.440000      98.67331      180.0  
1 1 1 21 0  43 o 0.4264000      2.396000      79.67715      -90.0  
1 1 1 21 0  44 o 1.656000       1.909000      98.17339      -0.0   
1 1 1 21 0  45 o 0.2856000      1.760000      71.42787      -90.0  
1 1 1 21 0  46 o -0.1230000     1.764000      0.5837730     -180.0 
1 1 1 21 0  47 o -1.879000      1.807000      42.53752      90.0   
1 1 1 21 0  48 o 1.100000       2.090000      71.19178      -0.0   
1 1 1 21 0  49 o -2.277000      2.115000      121.7414      90.0   
1 1 1 21 0  50 o 0.4224000      2.173000      117.5448      -0.0   
1 1 1 21 0  51 o 3.271000       2.216000      107.4753      -90.0  
1 1 1 21 0  52 o 0.7391000      1.974000      46.70744      -0.0   
1 1 1 21 0  53 o -0.2575000     1.992000      111.7957      -90.0  
1 1 1 21 0  54 o 3.217000       2.002000      128.0609      180.0  
1 1 1 21 0  55 o 1.655000       1.975000      ?             ?      
1 1 1 21 0  56 o -0.5020000     1.904000      ?             ?      
1 1 1 21 0  57 o 0.2052000      2.227000      ?             ?      
1 1 1 21 0  58 o 0.8136000      2.703000      ?             ?      
1 1 1 21 0  59 o 0.9432000      2.570000      ?             ?      
1 1 1 21 0  60 o -0.6412000     2.147000      ?             ?      
1 1 1 21 0  61 o -0.7554000     1.817000      ?             ?      
1 1 1 21 0  62 o -1.183000      1.798000      ?             ?      
1 1 1 21 0  63 o -0.9036000E-01 1.807000      ?             ?      
1 1 1 21 0  64 o 1.183000       1.818000      ?             ?      
1 1 1 21 0  65 o 0.3088000      1.815000      ?             ?      
1 1 1 21 0  66 o 3.645000       1.858000      ?             ?      
1 1 1 21 0  67 o 0.9401000      1.834000      ?             ?      
1 1 1 21 0  68 o -0.9179000     1.842000      ?             ?      
1 1 1 21 0  69 o 2.577000       1.908000      ?             ?      
1 1 1 21 0  70 o -1.611000      1.895000      ?             ?      
1 1 1 21 0  71 o 0.7843000      1.921000      ?             ?      
1 1 1 21 1  1  o -0.6144000     0.6984000     140.7666      -71.6  
1 1 1 21 1  2  o 0.3905000      0.6925000     188.9279      -69.4  
1 1 1 21 1  3  o -1.381000      0.7098000     173.1039      128.2  
1 1 1 21 1  4  o 0.4514000E-01  0.7125000     176.2780      -2.1   
1 1 1 21 1  5  o 2.070000       0.6798000     117.9898      35.4   
1 1 1 21 1  6  o 2.233000       0.7068000     255.8401      99.1   
1 1 1 21 1  7  o 0.7333000E-01  0.7036000     216.6750      -68.6  
1 1 1 21 1  8  o -1.884000      0.7069000     333.5234      -120.5 
1 1 1 21 1  9  o 0.8104000E-01  0.7240000     125.9038      114.7  
1 1 1 21 1  10 o 0.8284000      0.7393000     252.1058      170.5  
1 1 1 21 1  11 o 1.966000       0.7576000     214.5801      149.0  
1 1 1 21 1  12 o 5.934000       0.8153000     307.2388      115.0  
1 1 1 21 1  13 o 1.517000       1.086000      155.3611      -34.6  
1 1 1 21 1  14 o 7.681000       1.196000      381.9635      172.5  
1 1 1 21 1  15 o 0.5591000      1.244000      205.5683      102.6  
1 1 1 21 1  16 o -0.4360000     3.053000      267.0345      -34.4  
1 1 1 21 1  17 o 0.9814000      1.903000      166.1460      -123.4 
1 1 1 21 1  18 o 10.98000       2.061000      518.6050      35.0   
1 1 1 21 1  19 o 4.118000       1.373000      159.3061      -78.3  
1 1 1 21 1  20 o -0.9348000     1.236000      213.5453      -85.3  
1 1 1 21 1  21 o 3.843000       1.110000      179.4038      13.7   
1 1 1 21 1  22 o 8.264000       1.121000      378.3188      149.4  
1 1 1 21 1  23 o -1.500000      1.040000      220.8042      137.2  
1 1 1 21 1  24 o 2.947000       1.053000      283.9802      -24.4  
1 1 1 21 1  25 o -0.4497000E-01 1.040000      235.5732      104.1  
1 1 1 21 1  26 o 2.066000       1.035000      253.7822      6.9    
1 1 1 21 1  27 o 6.960000       1.049000      330.2591      157.3  
1 1 1 21 1  28 o -0.9350000     0.9937000     206.4894      -30.8  
1 1 1 21 1  29 o 1.971000       0.9962000     215.0046      110.1  
1 1 1 21 1  30 o 4.120000       1.009000      267.5956      113.3  
1 1 1 21 1  31 o -0.2523000     1.001000      85.47749      100.7  
1 1 1 21 1  32 o 1.699000       1.033000      173.0817      175.9  
1 1 1 21 1  33 o 2.634000       1.039000      112.6506      104.7  
1 1 1 21 1  34 o 1.596000       1.008000      77.77399      -21.5  
1 1 1 21 1  35 o 1.824000       0.9997000     193.7940      -162.0 
1 1 1 21 1  36 o 0.6064000      1.025000      129.8049      -167.0 
1 1 1 21 1  37 o 3.682000       1.077000      247.2392      -153.4 
1 1 1 21 1  38 o -0.6676000     1.167000      224.3744      -77.1  
1 1 1 21 1  39 o -1.709000      1.246000      63.85114      154.4  
1 1 1 21 1  40 o 0.9161000      1.712000      91.54413      -127.2 
1 1 1 21 1  41 o -2.488000      1.907000      42.05728      -0.4   
1 1 1 21 1  42 o 0.4817000      1.864000      190.4337      18.0   
1 1 1 21 1  43 o 1.608000       1.371000      134.0207      156.4  
1 1 1 21 1  44 o 1.578000       1.208000      101.4906      -58.4  
1 1 1 21 1  45 o -0.6673000     1.322000      108.8452      -9.7   
1 1 1 21 1  46 o -1.410000      1.436000      71.61803      -152.2 
1 1 1 21 1  47 o 2.629000       1.311000      190.9697      -146.4 
1 1 1 21 1  48 o 0.1374000      1.408000      138.6855      -170.0 
1 1 1 21 1  49 o 1.272000       1.431000      118.2224      99.7   
1 1 1 21 1  50 o 2.017000       1.464000      76.34550      -98.8  
1 1 1 21 1  51 o 1.044000       1.484000      2.679370      66.4   
1 1 1 21 1  52 o 0.8588000      1.411000      47.83335      -117.5 
1 1 1 21 1  53 o 0.4138000      1.522000      180.4895      -122.7 
1 1 1 21 1  54 o 2.210000       1.440000      83.67598      -146.2 
1 1 1 21 1  55 o 1.860000       1.405000      ?             ?      
1 1 1 21 1  56 o 0.3314000      1.363000      ?             ?      
1 1 1 21 1  57 o 0.8999000      1.463000      ?             ?      
1 1 1 21 1  58 o -0.4916000     2.083000      ?             ?      
1 1 1 21 1  59 o 2.119000       2.204000      ?             ?      
1 1 1 21 1  60 o 0.7792000      1.711000      ?             ?      
1 1 1 21 1  61 o 1.323000       1.398000      ?             ?      
1 1 1 21 1  62 o 1.676000       1.287000      ?             ?      
1 1 1 21 1  63 o -0.1418000E-02 1.286000      ?             ?      
1 1 1 21 1  64 o 3.346000       1.307000      ?             ?      
1 1 1 21 1  65 o 1.945000       1.299000      ?             ?      
1 1 1 21 1  66 o -1.666000      1.298000      ?             ?      
1 1 1 21 1  67 o -1.910000      1.297000      ?             ?      
1 1 1 21 1  68 f 3.271000       1.321000      ?             ?      
1 1 1 21 1  69 o 3.458000       1.329000      ?             ?      
1 1 1 21 1  70 o -1.224000      1.323000      ?             ?      
1 1 1 21 1  71 o -0.7949000     1.468000      ?             ?      
1 1 1 21 2  0  o -3.497000      1.591000      320.2729      -90.0  
1 1 1 21 2  1  o 4.528000       1.035000      428.7452      64.9   
1 1 1 21 2  2  o 1.403000       0.7034000     116.5913      11.4   
1 1 1 21 2  3  o -1.910000      0.7157000     345.3840      -169.4 
1 1 1 21 2  4  o 6.510000       0.9429000     649.3633      93.3   
1 1 1 21 2  5  o 0.3873000      0.6858000     182.8595      -99.9  
1 1 1 21 2  6  o 2.375000       0.6914000     51.00027      -97.9  
1 1 1 21 2  7  o 3.405000       0.7163000     381.9595      -24.0  
1 1 1 21 2  8  f -0.8871000     0.7065000     204.4510      -7.3   
1 1 1 21 2  9  o 4.103000       0.7456000     490.2774      174.1  
1 1 1 21 2  10 o 6.354000       0.7740000     434.5660      -30.9  
1 1 1 21 2  11 o 5.517000       0.7740000     231.3936      -122.2 
1 1 1 21 2  12 o 2.979000       0.7902000     182.7221      39.1   
1 1 1 21 2  13 o 9.800000       0.9920000     618.1360      -179.9 
1 1 1 21 2  14 o -1.932000      0.9964000     70.35796      -7.3   
1 1 1 21 2  15 o 5.581000       1.251000      654.8016      -145.7 
1 1 1 21 2  16 o 5.149000       1.773000      495.5076      -11.5  
1 1 1 21 2  17 o 1.840000       1.627000      247.3214      -88.9  
1 1 1 21 2  18 o 7.479000       1.997000      619.5060      -2.6   
1 1 1 21 2  19 o 13.96000       1.325000      636.8541      23.6   
1 1 1 21 2  20 o 5.280000       1.503000      453.4638      -132.6 
1 1 1 21 2  21 o 0.4628000      1.094000      67.96870      -85.6  
1 1 1 21 2  22 o 2.611000       1.093000      350.2111      15.0   
1 1 1 21 2  23 o 0.7868000      1.043000      232.4075      -11.0  
1 1 1 21 2  24 o 0.2549000      1.044000      37.90049      -160.2 
1 1 1 21 2  25 o 1.195000       1.039000      232.9986      104.0  
1 1 1 21 2  26 o 9.725000       1.105000      496.2588      -32.5  
1 1 1 21 2  27 o 0.5127000      1.044000      233.2074      85.6   
1 1 1 21 2  28 o 5.812000       1.035000      282.1809      78.2   
1 1 1 21 2  29 o -0.9720000     1.000000      179.0965      168.6  
1 1 1 21 2  30 o 3.872000       1.006000      382.5334      -148.8 
1 1 1 21 2  31 o 3.863000       1.016000      108.4963      54.8   
1 1 1 21 2  32 o -0.3451000     1.027000      149.5053      -68.4  
1 1 1 21 2  33 o 2.841000       1.028000      167.5090      167.2  
1 1 1 21 2  34 o 1.548000       1.009000      230.9815      102.6  
1 1 1 21 2  35 o 0.1699000      1.120000      140.5042      -73.7  
1 1 1 21 2  36 o -0.7691000     1.118000      192.9512      7.6    
1 1 1 21 2  37 o -1.099000      1.043000      82.65918      -53.9  
1 1 1 21 2  38 o 3.019000       1.178000      172.6015      -21.6  
1 1 1 21 2  39 o 0.4142000      1.309000      113.5701      151.1  
1 1 1 21 2  40 o 2.045000       1.652000      140.6304      -108.2 
1 1 1 21 2  41 o -1.065000      1.824000      102.0473      133.5  
1 1 1 21 2  42 o 0.3702000      1.892000      79.45324      133.3  
1 1 1 21 2  43 o 2.281000       1.508000      56.82970      -2.8   
1 1 1 21 2  44 o -1.637000      1.394000      121.0313      148.5  
1 1 1 21 2  45 o 1.546000       1.339000      189.7944      -7.8   
1 1 1 21 2  46 o 3.247000       1.475000      295.1435      -68.5  
1 1 1 21 2  47 o 1.573000       1.299000      216.8961      -112.1 
1 1 1 21 2  48 o 3.802000       1.410000      308.6396      157.0  
1 1 1 21 2  49 o 2.206000       1.343000      182.0255      18.9   
1 1 1 21 2  50 o -0.8785000     1.354000      104.7524      17.6   
1 1 1 21 2  51 o 2.726000       1.391000      174.4017      5.3    
1 1 1 21 2  52 o -0.8584000     1.412000      66.22577      82.0   
1 1 1 21 2  53 f -1.166000      1.534000      163.6407      -126.3 
1 1 1 21 2  54 o -1.286000      1.436000      24.96902      21.8   
1 1 1 21 2  55 o 0.8763000      1.515000      ?             ?      
1 1 1 21 2  56 o 0.9168000      1.469000      ?             ?      
1 1 1 21 2  57 o -0.3231000     1.455000      ?             ?      
1 1 1 21 2  58 o 1.295000       2.068000      ?             ?      
1 1 1 21 2  59 o 1.244000       1.717000      ?             ?      
1 1 1 21 2  60 o 1.294000       1.596000      ?             ?      
1 1 1 21 2  61 o -0.3017000     1.385000      ?             ?      
1 1 1 21 2  62 o -0.9637000     1.276000      ?             ?      
1 1 1 21 2  63 o 0.4515000      1.288000      ?             ?      
1 1 1 21 2  64 o -0.3970000     1.294000      ?             ?      
1 1 1 21 2  65 o -0.2297000     1.289000      ?             ?      
1 1 1 21 2  66 o -0.2352000     1.302000      ?             ?      
1 1 1 21 2  67 o -1.678000      1.289000      ?             ?      
1 1 1 21 2  68 o -1.153000      1.310000      ?             ?      
1 1 1 21 2  69 o -0.2507000     1.335000      ?             ?      
1 1 1 21 2  70 o -0.3780000     1.322000      ?             ?      
1 1 1 21 2  71 o 0.1025000      1.450000      ?             ?      
1 1 1 21 3  0  o 7.722000       1.211000      873.6530      -90.0  
1 1 1 21 3  1  o 16.96000       1.260000      896.6813      -107.0 
1 1 1 21 3  2  o 7.945000       0.7819000     378.4563      -117.4 
1 1 1 21 3  3  o -1.225000      0.7059000     85.81696      -62.7  
1 1 1 21 3  4  o 3.385000       0.9152000     782.3663      -38.9  
1 1 1 21 3  5  o -0.7020000     0.7266000     182.0030      148.5  
1 1 1 21 3  6  o 0.6768000      0.6900000     222.3808      46.6   
1 1 1 21 3  7  o 9.509000       0.7480000     564.6677      132.4  
1 1 1 21 3  8  o 2.130000       0.7073000     173.9438      58.9   
1 1 1 21 3  9  o 9.353000       0.8449000     740.0983      125.8  
1 1 1 21 3  10 f 0.2580000      0.7561000     214.7026      61.4   
1 1 1 21 3  11 o 2.040000       0.7754000     353.1246      -6.2   
1 1 1 21 3  12 o 2.902000       0.8548000     484.4639      22.4   
1 1 1 21 3  13 o 11.09000       1.011000      578.3790      -14.3  
1 1 1 21 3  14 o 14.04000       1.342000      751.2807      154.6  
1 1 1 21 3  15 o -0.7127000     1.350000      174.1629      -160.5 
1 1 1 21 3  16 o 4.111000       1.633000      386.6794      128.8  
1 1 1 21 3  17 o 18.22000       1.841000      814.0369      97.8   
1 1 1 21 3  18 o 1.959000       1.313000      404.6622      69.1   
1 1 1 21 3  19 o 3.343000       1.390000      271.9593      159.8  
1 1 1 21 3  20 o 6.595000       1.271000      347.5111      0.4    
1 1 1 21 3  21 o 1.981000       1.237000      145.0836      -36.6  
1 1 1 21 3  22 o 4.600000       1.100000      443.0349      131.8  
1 1 1 21 3  23 o 5.614000       1.092000      444.8586      65.0   
1 1 1 21 3  24 o 11.43000       1.119000      625.7960      -9.8   
1 1 1 21 3  25 o 3.636000       1.048000      194.6447      95.4   
1 1 1 21 3  26 o 2.307000       1.046000      162.6524      -139.3 
1 1 1 21 3  27 o 13.41000       1.133000      686.1243      173.2  
1 1 1 21 3  28 o 5.023000       1.033000      491.0144      -174.8 
1 1 1 21 3  29 o 7.449000       1.047000      185.7532      129.3  
1 1 1 21 3  30 o 7.265000       1.034000      654.7274      145.4  
1 1 1 21 3  31 o 1.597000       1.014000      370.3953      126.1  
1 1 1 21 3  32 o 14.18000       1.129000      564.1234      -173.4 
1 1 1 21 3  33 o 2.561000       1.122000      392.6125      48.3   
1 1 1 21 3  34 o 0.3691000      1.123000      327.2976      18.4   
1 1 1 21 3  35 o 8.058000       1.085000      495.6322      -179.9 
1 1 1 21 3  36 o 3.639000       1.153000      339.4725      110.3  
1 1 1 21 3  37 o 3.145000       1.071000      315.7872      134.9  
1 1 1 21 3  38 o 6.220000       1.155000      276.6413      -36.8  
1 1 1 21 3  39 o 0.6826000      1.356000      83.43301      119.4  
1 1 1 21 3  40 o 3.894000       1.484000      347.1160      -159.2 
1 1 1 21 3  41 o 0.4131000      1.435000      67.77393      166.9  
1 1 1 21 3  42 o 3.847000       1.507000      335.8685      -79.5  
1 1 1 21 3  43 o 0.1722000      1.546000      189.4596      -119.8 
1 1 1 21 3  44 o 5.389000       1.527000      339.6506      18.8   
1 1 1 21 3  45 o 0.9359000      1.228000      80.80715      31.6   
1 1 1 21 3  46 o 1.598000       1.244000      71.25569      168.8  
1 1 1 21 3  47 o 3.624000       1.303000      308.3640      -91.0  
1 1 1 21 3  48 o 2.343000       1.391000      311.6616      -47.7  
1 1 1 21 3  49 o -0.8948000     1.328000      147.5260      -87.1  
1 1 1 21 3  50 o 4.183000       1.486000      291.9101      91.8   
1 1 1 21 3  51 o 0.3837000      1.496000      202.6805      -151.6 
1 1 1 21 3  52 o -0.5482000E-01 1.399000      39.25851      -5.6   
1 1 1 21 3  53 o -0.6291000     1.399000      27.51552      160.1  
1 1 1 21 3  54 o 0.7494000      1.409000      134.8709      50.3   
1 1 1 21 3  55 o 7.692000       1.546000      ?             ?      
1 1 1 21 3  56 o 4.699000       1.602000      ?             ?      
1 1 1 21 3  57 o 6.913000       1.722000      ?             ?      
1 1 1 21 3  58 o 1.562000       2.261000      ?             ?      
1 1 1 21 3  59 o 0.3310000      1.534000      ?             ?      
1 1 1 21 3  60 o 1.367000       1.569000      ?             ?      
1 1 1 21 3  61 o 0.1762000E-01  1.454000      ?             ?      
1 1 1 21 3  62 o 0.1081000      1.353000      ?             ?      
1 1 1 21 3  63 o 3.532000       1.290000      ?             ?      
1 1 1 21 3  64 o -1.214000      1.286000      ?             ?      
1 1 1 21 3  65 o 0.9959000E-01  1.286000      ?             ?      
1 1 1 21 3  66 o 1.809000       1.307000      ?             ?      
1 1 1 21 3  67 o -0.1966000     1.286000      ?             ?      
1 1 1 21 3  68 o -1.264000      1.287000      ?             ?      
1 1 1 21 3  69 o 0.5536000E-01  1.313000      ?             ?      
1 1 1 21 3  70 o 0.1169000      1.329000      ?             ?      
1 1 1 21 3  71 o 2.295000       1.897000      ?             ?      
1 1 1 21 4  0  o 56.90000       2.457000      1213.846      90.0   
1 1 1 21 4  1  o 46.35000       1.302000      1150.594      27.0   
1 1 1 21 4  2  o 8.684000       0.7757000     576.8587      143.5  
1 1 1 21 4  3  o 11.02000       0.9803000     567.1373      -32.3  
1 1 1 21 4  4  o 18.52000       0.9209000     744.9225      88.9   
1 1 1 21 4  5  o 13.30000       0.8457000     794.8953      -79.5  
1 1 1 21 4  6  o 2.602000       0.7252000     307.8854      -152.3 
1 1 1 21 4  7  o 2.161000       0.7334000     274.6073      160.1  
1 1 1 21 4  8  o 6.794000       0.7826000     547.4771      -164.5 
1 1 1 21 4  9  o 1.118000       0.7443000     66.02222      96.8   
1 1 1 21 4  10 o 9.443000       0.8102000     407.5905      -62.4  
1 1 1 21 4  11 o 13.07000       1.002000      535.6725      124.0  
1 1 1 21 4  12 o 24.09000       1.312000      828.5597      55.7   
1 1 1 21 4  13 o 33.49000       1.294000      988.3122      -127.8 
1 1 1 21 4  14 o 5.717000       1.373000      609.6182      -22.2  
1 1 1 21 4  15 o 46.51000       2.377000      1272.837      -140.5 
1 1 1 21 4  16 o 12.88000       1.258000      758.8877      -42.7  
1 1 1 21 4  17 o 5.396000       1.613000      294.0440      -174.0 
1 1 1 21 4  18 o 7.513000       1.245000      397.2625      -37.7  
1 1 1 21 4  19 o 0.1740000      1.384000      164.0496      -59.0  
1 1 1 21 4  20 o 11.98000       1.415000      706.0299      -84.3  
1 1 1 21 4  21 o 56.83000       2.283000      1266.448      71.0   
1 1 1 21 4  22 o 17.19000       1.316000      779.0850      111.8  
1 1 1 21 4  23 o 5.491000       1.080000      195.8379      96.4   
1 1 1 21 4  24 o 12.48000       1.127000      420.3733      -103.1 
1 1 1 21 4  25 o 6.629000       1.040000      203.0006      65.2   
1 1 1 21 4  26 o 27.88000       1.272000      934.3517      -68.9  
1 1 1 21 4  27 o 20.00000       1.176000      561.2661      173.2  
1 1 1 21 4  28 o 3.938000       1.035000      475.9696      3.6    
1 1 1 21 4  29 o 22.48000       1.184000      629.5153      -133.9 
1 1 1 21 4  30 o 19.29000       1.270000      716.4043      -129.1 
1 1 1 21 4  31 o 8.143000       1.158000      381.7277      -22.2  
1 1 1 21 4  32 o 4.305000       1.045000      275.9965      -130.8 
1 1 1 21 4  33 o 13.73000       1.230000      562.0223      -140.6 
1 1 1 21 4  34 o 12.31000       1.220000      388.6283      -128.7 
1 1 1 21 4  35 o 9.279000       1.092000      482.4604      -102.3 
1 1 1 21 4  36 o 9.272000       1.088000      454.9180      -112.7 
1 1 1 21 4  37 o 1.570000       1.059000      143.0358      -163.1 
1 1 1 21 4  38 o 4.898000       1.271000      315.4024      -125.3 
1 1 1 21 4  39 o 5.816000       1.517000      417.7757      -134.5 
1 1 1 21 4  40 o 9.117000       1.498000      450.3686      -19.4  
1 1 1 21 4  41 o 1.769000       1.291000      92.15790      -33.0  
1 1 1 21 4  42 o 1.725000       1.318000      203.1769      -16.2  
1 1 1 21 4  43 o 8.473000       1.538000      424.0933      177.2  
1 1 1 21 4  44 o 3.287000       1.425000      204.2944      44.0   
1 1 1 21 4  45 o 2.771000       1.347000      279.2629      -28.9  
1 1 1 21 4  46 o 4.837000       1.262000      222.4901      -3.0   
1 1 1 21 4  47 o -0.4563000     1.255000      124.1817      74.7   
1 1 1 21 4  48 o 1.648000       1.274000      126.0138      118.3  
1 1 1 21 4  49 o 2.649000       1.316000      89.03974      26.4   
1 1 1 21 4  50 o 4.151000       1.459000      202.8794      -94.4  
1 1 1 21 4  51 o -1.813000      1.476000      99.84489      36.0   
1 1 1 21 4  52 o 4.898000       1.516000      303.8833      -174.8 
1 1 1 21 4  53 o 0.5150000      1.495000      186.8055      -166.7 
1 1 1 21 4  54 o 3.145000       1.418000      257.2945      24.5   
1 1 1 21 4  55 o 3.621000       1.424000      ?             ?      
1 1 1 21 4  56 o 3.291000       1.497000      ?             ?      
1 1 1 21 4  57 o -3.989000      1.620000      ?             ?      
1 1 1 21 4  58 o -0.6304000     1.459000      ?             ?      
1 1 1 21 4  59 o -3.644000      1.440000      ?             ?      
1 1 1 21 4  60 o 3.118000       2.103000      ?             ?      
1 1 1 21 4  61 o 0.2149000      1.575000      ?             ?      
1 1 1 21 4  62 o 1.649000       1.380000      ?             ?      
1 1 1 21 4  63 o 3.396000       1.291000      ?             ?      
1 1 1 21 4  64 o 1.631000       1.289000      ?             ?      
1 1 1 21 4  65 o -0.5909000     1.284000      ?             ?      
1 1 1 21 4  66 o 0.9276000      1.292000      ?             ?      
1 1 1 21 4  67 o 0.5517000      1.284000      ?             ?      
1 1 1 21 4  68 o 1.551000       1.316000      ?             ?      
1 1 1 21 4  69 o 3.161000       1.323000      ?             ?      
1 1 1 21 4  70 f 0.5227000      1.447000      ?             ?      
1 1 1 21 4  71 o -1.330000      1.668000      ?             ?      
1 1 1 21 5  0  o 102.5000       3.500000      1909.198      -90.0  
1 1 1 21 5  1  o 70.81000       1.614000      1373.800      165.1  
1 1 1 21 5  2  o 16.87000       0.8454000     556.8175      63.1   
1 1 1 21 5  3  o 15.56000       0.8204000     355.9232      179.3  
1 1 1 21 5  4  o 37.64000       1.209000      892.8106      6.5    
1 1 1 21 5  5  o 31.43000       1.557000      769.5643      -123.2 
1 1 1 21 5  6  o 55.55000       1.573000      1437.605      66.1   
1 1 1 21 5  7  o 174.9000       4.437000      2026.340      94.9   
1 1 1 21 5  8  o 9.564000       0.8502000     68.75448      -84.8  
1 1 1 21 5  9  o 48.82000       1.753000      1142.818      140.0  
1 1 1 21 5  10 o 32.30000       1.309000      1226.809      45.6   
1 1 1 21 5  11 o 16.07000       1.291000      574.2307      164.3  
1 1 1 21 5  12 o 24.76000       1.153000      1090.071      29.8   
1 1 1 21 5  13 o 0.6562000      0.9606000     195.9565      50.2   
1 1 1 21 5  14 o 36.84000       2.131000      1267.882      -156.9 
1 1 1 21 5  15 o 15.03000       1.415000      738.7802      -178.2 
1 1 1 21 5  16 o 50.19000       3.158000      1242.330      38.7   
1 1 1 21 5  17 o 10.21000       1.138000      351.1711      40.1   
1 1 1 21 5  18 o 29.59000       1.532000      987.4750      123.4  
1 1 1 21 5  19 o 31.52000       1.598000      804.3219      62.8   
1 1 1 21 5  20 o 16.82000       1.452000      552.5155      170.0  
1 1 1 21 5  21 o 0.5471000      1.251000      98.38334      -149.0 
1 1 1 21 5  22 o 7.795000       1.421000      377.6262      140.9  
1 1 1 21 5  23 o 2.616000       1.058000      281.2269      125.1  
1 1 1 21 5  24 o 15.26000       1.133000      714.2089      -57.1  
1 1 1 21 5  25 o 0.8839000      1.032000      236.1471      96.5   
1 1 1 21 5  26 o 7.689000       1.153000      514.4177      -178.8 
1 1 1 21 5  27 o 61.11000       1.735000      961.3627      98.2   
1 1 1 21 5  28 o 26.56000       1.370000      668.6702      -127.3 
1 1 1 21 5  29 o 60.73000       2.174000      1092.970      -146.6 
1 1 1 21 5  30 o 16.42000       1.245000      565.6745      97.9   
1 1 1 21 5  31 o 1.848000       1.112000      127.7116      -73.7  
1 1 1 21 5  32 o 6.303000       1.140000      405.6625      -145.1 
1 1 1 21 5  33 o 18.39000       1.155000      769.0604      48.0   
1 1 1 21 5  34 o 9.790000       1.074000      510.7129      -7.8   
1 1 1 21 5  35 o 9.920000       1.098000      399.8342      161.7  
1 1 1 21 5  36 o 25.86000       1.375000      664.5428      77.1   
1 1 1 21 5  37 o 4.018000       1.135000      282.8156      -53.4  
1 1 1 21 5  38 o 6.110000       1.732000      468.1506      22.7   
1 1 1 21 5  39 o 25.08000       2.001000      704.8783      177.4  
1 1 1 21 5  40 o 3.392000       1.225000      255.4641      -173.7 
1 1 1 21 5  41 o 9.038000       1.282000      518.1934      13.1   
1 1 1 21 5  42 o 9.053000       1.303000      448.2296      -27.7  
1 1 1 21 5  43 o 19.30000       1.658000      621.0131      113.7  
1 1 1 21 5  44 o 4.682000       1.518000      231.8604      -122.5 
1 1 1 21 5  45 o 7.499000       1.355000      220.7128      149.8  
1 1 1 21 5  46 o 3.612000       1.250000      90.21175      32.0   
1 1 1 21 5  47 o 1.112000       1.252000      119.2818      -28.5  
1 1 1 21 5  48 o 10.46000       1.345000      431.4715      27.3   
1 1 1 21 5  49 o 1.809000       1.312000      216.0347      -11.8  
1 1 1 21 5  50 o 3.820000       1.370000      339.8595      139.2  
1 1 1 21 5  51 o 7.559000       1.441000      489.7875      -95.8  
1 1 1 21 5  52 o 11.68000       1.592000      444.7509      -18.4  
1 1 1 21 5  53 o 9.019000       1.560000      412.2940      96.5   
1 1 1 21 5  54 o -2.309000      1.409000      69.84654      -137.8 
1 1 1 21 5  55 o 8.571000       1.653000      ?             ?      
1 1 1 21 5  56 o 8.088000       1.717000      ?             ?      
1 1 1 21 5  57 o -1.049000      1.595000      ?             ?      
1 1 1 21 5  58 o 0.7672000      1.386000      ?             ?      
1 1 1 21 5  59 o 0.7408000      1.432000      ?             ?      
1 1 1 21 5  60 o 3.530000       1.675000      ?             ?      
1 1 1 21 5  61 o 0.2987000      1.604000      ?             ?      
1 1 1 21 5  62 o -0.5632000     1.653000      ?             ?      
1 1 1 21 5  63 o 1.765000       1.491000      ?             ?      
1 1 1 21 5  64 o -0.6801000     1.273000      ?             ?      
1 1 1 21 5  65 o 1.428000       1.295000      ?             ?      
1 1 1 21 5  66 o 0.4614000      1.302000      ?             ?      
1 1 1 21 5  67 o -1.202000      1.298000      ?             ?      
1 1 1 21 5  68 o 2.943000       1.825000      ?             ?      
1 1 1 21 5  69 o 0.9124000      1.335000      ?             ?      
1 1 1 21 5  70 o 0.4763000E-01  1.448000      ?             ?      
1 1 1 21 5  71 o -0.7205000     1.569000      ?             ?      
1 1 1 21 6  0  o 4.186000       1.337000      242.4722      -90.0  
1 1 1 21 6  1  o 138.5000       2.843000      1641.745      31.1   
1 1 1 21 6  2  o 18.76000       1.419000      623.7349      168.3  
1 1 1 21 6  3  o 44.72000       1.339000      1121.456      39.7   
1 1 1 21 6  4  o 86.36000       2.080000      1531.358      152.3  
1 1 1 21 6  5  o 82.86000       2.562000      1272.989      -162.4 
1 1 1 21 6  6  o 71.96000       2.505000      1019.368      95.7   
1 1 1 21 6  7  o 40.42000       2.136000      676.8521      35.3   
1 1 1 21 6  8  o 359.5000       7.356000      2615.696      -155.1 
1 1 1 21 6  9  o 132.7000       3.385000      1575.507      -174.7 
1 1 1 21 6  10 o 45.39000       1.375000      797.0450      -90.5  
1 1 1 21 6  11 o 69.49000       2.025000      1184.819      113.9  
1 1 1 21 6  12 o 9.462000       1.124000      459.1699      -79.9  
1 1 1 21 6  13 o 16.31000       1.316000      478.7991      -92.1  
1 1 1 21 6  14 o 34.74000       2.338000      1023.518      -137.3 
1 1 1 21 6  15 o 18.18000       1.308000      839.2734      -127.7 
1 1 1 21 6  16 o 11.53000       1.277000      713.2493      -31.0  
1 1 1 21 6  17 o 22.67000       1.319000      591.3553      164.2  
1 1 1 21 6  18 o 149.0000       4.664000      1655.535      -41.4  
1 1 1 21 6  19 o 22.12000       1.428000      1332.435      -155.2 
1 1 1 21 6  20 o 19.91000       1.602000      514.1521      -115.5 
1 1 1 21 6  21 o 4.664000       1.358000      513.1776      134.9  
1 1 1 21 6  22 o 38.02000       1.565000      1015.104      168.2  
1 1 1 21 6  23 o 27.99000       1.452000      641.3804      104.9  
1 1 1 21 6  24 o 31.45000       1.324000      631.5099      -81.4  
1 1 1 21 6  25 o 42.15000       1.562000      821.3204      -156.8 
1 1 1 21 6  26 o 31.88000       1.487000      670.5273      -173.7 
1 1 1 21 6  27 o 79.76000       2.220000      1267.949      -63.5  
1 1 1 21 6  28 o 18.88000       1.257000      929.8723      -108.5 
1 1 1 21 6  29 o 59.72000       1.869000      949.1881      -98.2  
1 1 1 21 6  30 o 34.13000       1.352000      807.5960      -111.3 
1 1 1 21 6  31 o 35.12000       1.350000      772.3780      -108.0 
1 1 1 21 6  32 o 8.650000       1.043000      519.6054      -174.5 
1 1 1 21 6  33 o 27.09000       1.342000      704.9639      -101.7 
1 1 1 21 6  34 o 16.99000       1.222000      604.2042      -78.0  
1 1 1 21 6  35 o 22.45000       1.215000      872.6526      159.6  
1 1 1 21 6  36 o 29.99000       1.435000      736.2206      -168.2 
1 1 1 21 6  37 o 5.400000       1.197000      368.9113      117.8  
1 1 1 21 6  38 o 15.44000       1.425000      437.6280      -98.5  
1 1 1 21 6  39 o 21.87000       1.580000      601.2472      -113.8 
1 1 1 21 6  40 o 4.020000       1.201000      117.4288      -5.2   
1 1 1 21 6  41 o 8.466000       1.170000      573.0485      -150.5 
1 1 1 21 6  42 o 9.997000       1.315000      462.2931      142.9  
1 1 1 21 6  43 o 5.799000       1.405000      329.6340      130.4  
1 1 1 21 6  44 o 0.8611000      1.509000      163.9514      43.3   
1 1 1 21 6  45 o 2.863000       1.444000      300.8081      -115.7 
1 1 1 21 6  46 o 7.771000       1.366000      375.7066      174.5  
1 1 1 21 6  47 o 4.657000       1.259000      284.5779      175.9  
1 1 1 21 6  48 o 5.118000       1.292000      250.6935      -68.2  
1 1 1 21 6  49 o 2.173000       1.311000      129.2830      130.9  
1 1 1 21 6  50 o 33.19000       1.658000      843.5247      59.4   
1 1 1 21 6  51 o 1.744000       1.394000      205.5712      -163.8 
1 1 1 21 6  52 o 7.461000       1.441000      357.6870      -134.8 
1 1 1 21 6  53 o 3.023000       1.508000      293.8486      32.9   
1 1 1 21 6  54 o 7.304000       1.581000      434.4893      179.7  
1 1 1 21 6  55 o 14.51000       1.801000      ?             ?      
1 1 1 21 6  56 o 3.638000       1.546000      ?             ?      
1 1 1 21 6  57 o -0.9100000     1.598000      ?             ?      
1 1 1 21 6  58 o 4.591000       1.422000      ?             ?      
1 1 1 21 6  59 o 2.086000       1.295000      ?             ?      
1 1 1 21 6  60 o -0.3283000     1.435000      ?             ?      
1 1 1 21 6  61 o 5.959000       1.637000      ?             ?      
1 1 1 21 6  62 o 0.7447000      1.464000      ?             ?      
1 1 1 21 6  63 o 2.621000       1.544000      ?             ?      
1 1 1 21 6  64 o -1.746000      1.369000      ?             ?      
1 1 1 21 6  65 o 3.839000       1.402000      ?             ?      
1 1 1 21 6  66 o 2.501000       1.299000      ?             ?      
1 1 1 21 6  67 o 1.791000       1.414000      ?             ?      
1 1 1 21 6  68 o -0.5854000     1.289000      ?             ?      
1 1 1 21 6  69 o 2.284000       1.442000      ?             ?      
1 1 1 21 6  70 o -0.2226000     1.518000      ?             ?      
1 1 1 21 6  71 o 2.597000       1.557000      ?             ?      
1 1 1 21 7  0  o -0.7670000     1.100000      136.9369      90.0   
1 1 1 21 7  1  o 173.7000       3.095000      1676.216      176.8  
1 1 1 21 7  2  o 159.1000       3.206000      1787.888      -179.3 
1 1 1 21 7  3  o 37.95000       1.228000      808.9913      -86.1  
1 1 1 21 7  4  o 3.365000       0.8312000     240.4860      -105.6 
1 1 1 21 7  5  o 39.32000       1.150000      1003.973      89.8   
1 1 1 21 7  6  o 15.92000       0.8978000     457.6713      49.5   
1 1 1 21 7  7  o 17.48000       0.9205000     671.3399      -174.0 
1 1 1 21 7  8  o 5.876000       0.9176000     180.2678      29.0   
1 1 1 21 7  9  o 82.17000       2.075000      1631.993      -106.8 
1 1 1 21 7  10 o 3.128000       0.9520000     602.9396      -110.2 
1 1 1 21 7  11 o 117.7000       3.102000      1956.894      108.2  
1 1 1 21 7  12 o 16.50000       1.289000      613.7560      70.3   
1 1 1 21 7  13 o 48.82000       1.900000      1217.802      -80.6  
1 1 1 21 7  14 o 191.9000       5.333000      2061.278      145.8  
1 1 1 21 7  15 o 25.08000       1.379000      699.4276      12.5   
1 1 1 21 7  16 o 193.9000       4.445000      1911.565      -10.0  
1 1 1 21 7  17 o 80.32000       2.429000      1337.438      67.4   
1 1 1 21 7  18 o 45.93000       1.933000      878.3718      -98.6  
1 1 1 21 7  19 o 37.41000       1.745000      979.8503      70.0   
1 1 1 21 7  20 o 144.4000       3.869000      2017.316      -51.6  
1 1 1 21 7  21 o 119.4000       3.197000      1583.771      -94.2  
1 1 1 21 7  22 o 12.13000       1.306000      626.4111      174.0  
1 1 1 21 7  23 o 20.45000       1.329000      594.6048      52.6   
1 1 1 21 7  24 o 29.80000       1.425000      769.1712      -91.1  
1 1 1 21 7  25 o 2.958000       1.018000      326.7993      139.4  
1 1 1 21 7  26 o 15.35000       1.190000      572.4619      39.1   
1 1 1 21 7  27 o 26.02000       1.322000      853.4256      -62.4  
1 1 1 21 7  28 o 23.71000       1.200000      518.8016      -56.7  
1 1 1 21 7  29 o 1.556000       1.005000      260.6941      12.7   
1 1 1 21 7  30 o 137.5000       3.082000      1679.320      15.6   
1 1 1 21 7  31 o 1.843000       1.086000      207.0619      -151.6 
1 1 1 21 7  32 o 16.79000       1.192000      567.9843      -0.4   
1 1 1 21 7  33 o 6.667000       1.059000      275.1908      80.8   
1 1 1 21 7  34 o 64.45000       1.970000      1280.564      -49.7  
1 1 1 21 7  35 o 5.457000       1.055000      250.0625      -130.4 
1 1 1 21 7  36 o 18.22000       1.165000      579.4333      91.5   
1 1 1 21 7  37 o 10.31000       1.218000      419.8966      -23.9  
1 1 1 21 7  38 f 13.36000       1.405000      318.0926      -16.9  
1 1 1 21 7  39 o 1.126000       1.215000      137.1444      -161.1 
1 1 1 21 7  40 o 18.45000       1.245000      693.6315      -23.0  
1 1 1 21 7  41 o 8.781000       1.165000      417.2524      -33.7  
1 1 1 21 7  42 o 6.986000       1.281000      284.6833      -139.9 
1 1 1 21 7  43 o 45.74000       1.927000      944.7947      170.1  
1 1 1 21 7  44 f 21.21000       1.748000      649.2549      -87.8  
1 1 1 21 7  45 o 11.01000       1.419000      369.8451      -110.1 
1 1 1 21 7  46 o 0.4466000      1.327000      218.5508      55.9   
1 1 1 21 7  47 o 6.186000       1.284000      404.7354      66.4   
1 1 1 21 7  48 o 0.1986000      1.258000      159.7688      159.7  
1 1 1 21 7  49 o 4.780000       1.324000      309.9632      -166.2 
1 1 1 21 7  50 o 0.5119000      1.359000      283.4764      172.7  
1 1 1 21 7  51 o 2.859000       1.385000      219.2382      93.5   
1 1 1 21 7  52 o 12.51000       1.467000      571.1865      -22.7  
1 1 1 21 7  53 o 1.949000       1.391000      114.1908      -108.2 
1 1 1 21 7  54 o -1.203000      1.485000      191.1079      -82.8  
1 1 1 21 7  55 o 2.705000       1.547000      ?             ?      
1 1 1 21 7  56 o 2.015000       1.630000      ?             ?      
1 1 1 21 7  57 o 2.404000       1.419000      ?             ?      
1 1 1 21 7  58 o 5.783000       1.437000      ?             ?      
1 1 1 21 7  59 o 1.265000       1.363000      ?             ?      
1 1 1 21 7  60 o 2.284000       1.616000      ?             ?      
1 1 1 21 7  61 o 4.835000       1.568000      ?             ?      
1 1 1 21 7  62 o 3.733000       1.565000      ?             ?      
1 1 1 21 7  63 o -1.699000      1.377000      ?             ?      
1 1 1 21 7  64 o 0.4284000      1.376000      ?             ?      
1 1 1 21 7  65 o 0.1950000      1.349000      ?             ?      
1 1 1 21 7  66 o 0.7722000      1.409000      ?             ?      
1 1 1 21 7  68 o -0.8203000     1.318000      ?             ?      
1 1 1 21 7  69 o 0.5853000E-01  1.416000      ?             ?      
1 1 1 21 7  70 o 2.087000       1.629000      ?             ?      
1 1 1 21 7  71 o 2.540000       1.549000      ?             ?      
1 1 1 21 8  0  o 668.9000       21.86000      3077.216      -90.0  
1 1 1 21 8  1  o 16.35000       0.8729000     628.9147      90.3   
1 1 1 21 8  2  o 77.67000       2.431000      1032.358      59.2   
1 1 1 21 8  3  o 18.02000       1.095000      770.6768      -23.1  
1 1 1 21 8  4  o 189.4000       4.565000      1639.908      144.6  
1 1 1 21 8  5  o 47.65000       1.933000      722.3683      150.2  
1 1 1 21 8  6  o 309.8000       7.281000      2341.537      24.1   
1 1 1 21 8  7  o 10.11000       0.8810000     126.9931      32.6   
1 1 1 21 8  8  o 390.5000       7.477000      2176.985      -144.1 
1 1 1 21 8  9  o 15.02000       1.012000      738.1470      -135.9 
1 1 1 21 8  10 o 139.4000       3.849000      1918.418      -4.6   
1 1 1 21 8  11 o 21.98000       1.393000      643.1379      60.9   
1 1 1 21 8  12 o 148.3000       4.144000      1739.646      -154.9 
1 1 1 21 8  13 o 203.1000       5.921000      1785.903      -146.9 
1 1 1 21 8  14 o 40.71000       1.526000      764.2002      -54.2  
1 1 1 21 8  15 o 125.0000       4.547000      1267.389      -99.9  
1 1 1 21 8  16 o 41.69000       1.522000      828.9980      112.4  
1 1 1 21 8  17 o 12.43000       1.150000      666.7843      87.8   
1 1 1 21 8  18 o 89.97000       2.533000      1035.054      -133.5 
1 1 1 21 8  19 o 60.75000       2.575000      1387.620      84.3   
1 1 1 21 8  20 o 27.58000       1.683000      681.4635      18.9   
1 1 1 21 8  21 o 17.20000       1.449000      523.2988      78.4   
1 1 1 21 8  22 o 71.56000       2.245000      1293.652      -172.6 
1 1 1 21 8  23 o 33.59000       1.602000      879.8460      35.4   
1 1 1 21 8  24 o 55.02000       1.894000      1066.987      -91.2  
1 1 1 21 8  25 o 23.74000       1.176000      460.5622      -142.1 
1 1 1 21 8  26 o 76.33000       1.960000      1221.735      -38.0  
1 1 1 21 8  27 o 50.49000       1.545000      1100.719      -65.7  
1 1 1 21 8  28 o 47.15000       1.598000      897.5053      160.9  
1 1 1 21 8  29 o 9.433000       1.113000      524.4662      -114.4 
1 1 1 21 8  30 o 12.27000       1.071000      640.4169      -150.6 
1 1 1 21 8  31 o 4.049000       1.084000      287.1276      -163.6 
1 1 1 21 8  32 o 25.78000       1.309000      538.5123      -141.1 
1 1 1 21 8  33 o 22.63000       1.191000      661.6941      7.5    
1 1 1 21 8  34 o 5.233000       1.045000      224.9726      82.5   
1 1 1 21 8  35 o 73.08000       1.945000      1219.941      147.8  
1 1 1 21 8  36 o 8.640000       1.122000      283.0697      17.3   
1 1 1 21 8  37 o 33.69000       1.679000      928.8943      77.1   
1 1 1 21 8  38 o 11.82000       1.372000      551.4274      -163.6 
1 1 1 21 8  39 o 3.562000       1.164000      334.4657      -69.6  
1 1 1 21 8  40 o 1.537000       1.095000      150.7773      36.9   
1 1 1 21 8  41 o 17.84000       1.253000      795.5046      -88.8  
1 1 1 21 8  42 o 12.90000       1.232000      466.5343      -157.9 
1 1 1 21 8  43 o 2.604000       1.294000      223.5240      -88.1  
1 1 1 21 8  44 o 10.42000       1.401000      406.2712      -99.1  
1 1 1 21 8  45 o 30.08000       1.852000      780.1208      -142.7 
1 1 1 21 8  46 o 6.123000       1.479000      345.7503      -88.4  
1 1 1 21 8  47 o 3.805000       1.373000      52.20798      149.1  
1 1 1 21 8  48 o 3.856000       1.285000      427.3540      -124.3 
1 1 1 21 8  49 o 6.232000       1.332000      363.3700      129.3  
1 1 1 21 8  50 o 1.906000       1.345000      220.0232      100.0  
1 1 1 21 8  51 o 4.275000       1.383000      320.0419      -132.2 
1 1 1 21 8  52 o 5.929000       1.405000      320.0096      -143.5 
1 1 1 21 8  53 o 11.85000       1.456000      554.1668      40.4   
1 1 1 21 8  54 o 14.98000       1.584000      546.0580      -154.6 
1 1 1 21 8  55 o 12.78000       1.686000      ?             ?      
1 1 1 21 8  56 o 9.173000       1.571000      ?             ?      
1 1 1 21 8  57 o 3.505000       1.322000      ?             ?      
1 1 1 21 8  58 o 1.291000       1.288000      ?             ?      
1 1 1 21 8  59 o 1.611000       1.387000      ?             ?      
1 1 1 21 8  60 o 6.219000       1.559000      ?             ?      
1 1 1 21 8  61 o 3.288000       1.444000      ?             ?      
1 1 1 21 8  62 o -0.2964000     1.618000      ?             ?      
1 1 1 21 8  63 o 2.982000       1.490000      ?             ?      
1 1 1 21 8  64 o 5.221000       1.423000      ?             ?      
1 1 1 21 8  65 o 3.998000       1.310000      ?             ?      
1 1 1 21 8  66 o -0.4455000     1.375000      ?             ?      
1 1 1 21 8  67 o -0.5623000     1.383000      ?             ?      
1 1 1 21 8  68 o 1.546000       1.314000      ?             ?      
1 1 1 21 8  69 o -1.066000      1.480000      ?             ?      
1 1 1 21 8  70 o 1.261000       1.538000      ?             ?      
1 1 1 21 8  71 o 1.837000       1.572000      ?             ?      
1 1 1 21 9  0  o 1.290000       1.170000      218.7171      -90.0  
1 1 1 21 9  1  o 12.98000       0.8825000     745.9560      39.7   
1 1 1 21 9  2  o 122.2000       2.477000      1298.868      -153.9 
1 1 1 21 9  3  o 363.2000       6.288000      2270.473      -142.2 
1 1 1 21 9  4  o 9.754000       0.8913000     762.3536      -14.0  
1 1 1 21 9  5  o 4.002000       0.8492000     850.0430      141.4  
1 1 1 21 9  6  o 188.3000       4.518000      1829.870      -90.4  
1 1 1 21 9  7  o 75.27000       2.124000      1330.429      28.9   
1 1 1 21 9  8  o 18.59000       1.212000      189.8913      133.2  
1 1 1 21 9  9  o 51.47000       1.758000      1277.977      -177.4 
1 1 1 21 9  10 o 2.949000       1.033000      97.66048      -29.6  
1 1 1 21 9  11 o 249.4000       7.189000      2091.674      78.6   
1 1 1 21 9  12 o 63.43000       2.800000      1066.432      -13.3  
1 1 1 21 9  13 o 29.40000       1.411000      878.9860      -93.4  
1 1 1 21 9  14 o 13.00000       1.182000      414.0528      98.4   
1 1 1 21 9  15 o 40.29000       1.463000      951.8463      -46.2  
1 1 1 21 9  16 o 217.3000       4.680000      1761.202      -49.1  
1 1 1 21 9  17 o 32.05000       1.473000      870.6156      -158.3 
1 1 1 21 9  18 o 93.37000       3.001000      995.3058      -127.2 
1 1 1 21 9  19 o 62.99000       2.518000      1015.900      -119.1 
1 1 1 21 9  20 o 151.4000       4.083000      1725.604      -69.0  
1 1 1 21 9  21 o 26.35000       1.515000      815.8879      -145.9 
1 1 1 21 9  22 o 53.79000       1.906000      1255.353      120.2  
1 1 1 21 9  23 o 86.95000       2.495000      1167.141      -7.9   
1 1 1 21 9  24 o 71.70000       2.057000      1188.905      113.8  
1 1 1 21 9  25 o 20.72000       1.175000      861.0868      74.7   
1 1 1 21 9  26 o 29.79000       1.622000      589.7440      160.7  
1 1 1 21 9  27 o 71.65000       2.033000      1276.819      -56.7  
1 1 1 21 9  28 o 4.440000       0.9966000     331.4918      101.6  
1 1 1 21 9  29 o 9.480000       1.107000      360.2411      -154.4 
1 1 1 21 9  30 o 14.41000       1.069000      600.6533      -34.9  
1 1 1 21 9  31 o 6.287000       1.015000      362.9338      154.4  
1 1 1 21 9  32 o 25.01000       1.198000      794.3564      46.3   
1 1 1 21 9  33 o 9.446000       1.059000      357.3828      124.2  
1 1 1 21 9  34 o 78.38000       2.038000      1104.685      -61.5  
1 1 1 21 9  35 o 19.27000       1.166000      618.3731      163.6  
1 1 1 21 9  36 o 8.740000       1.173000      447.5470      -43.4  
1 1 1 21 9  37 o 12.85000       2.008000      408.1774      -83.6  
1 1 1 21 9  38 o 22.37000       1.380000      633.8882      37.3   
1 1 1 21 9  39 o 1.171000       1.074000      159.1810      34.8   
1 1 1 21 9  40 o 22.48000       1.271000      756.5698      -33.6  
1 1 1 21 9  41 o 28.38000       1.367000      686.5359      -51.2  
1 1 1 21 9  42 o 10.55000       1.185000      493.4961      -58.4  
1 1 1 21 9  43 o 4.931000       1.287000      336.2670      -81.0  
1 1 1 21 9  44 o 22.57000       1.607000      521.9409      -66.9  
1 1 1 21 9  45 o 8.833000       1.586000      347.6793      6.9    
1 1 1 21 9  46 o 5.383000       1.396000      374.2487      -16.8  
1 1 1 21 9  47 o 16.18000       1.489000      692.7616      -36.0  
1 1 1 21 9  48 o 3.328000       1.301000      243.8752      -173.6 
1 1 1 21 9  49 o 8.622000       1.361000      510.6242      -73.6  
1 1 1 21 9  50 o 8.519000       1.395000      400.0497      69.1   
1 1 1 21 9  51 f -1.407000      1.363000      329.6215      3.8    
1 1 1 21 9  52 o 6.745000       1.388000      292.4116      -59.7  
1 1 1 21 9  53 o 1.279000       1.466000      142.6864      -173.8 
1 1 1 21 9  54 o 3.478000       1.561000      395.0180      113.8  
1 1 1 21 9  55 o 28.39000       1.961000      ?             ?      
1 1 1 21 9  56 f 12.63000       1.517000      ?             ?      
1 1 1 21 9  57 o 5.686000       1.330000      ?             ?      
1 1 1 21 9  58 o 3.641000       1.304000      ?             ?      
1 1 1 21 9  59 o 8.483000       1.330000      ?             ?      
1 1 1 21 9  60 o 7.916000       1.330000      ?             ?      
1 1 1 21 9  61 o 0.6842000      1.418000      ?             ?      
1 1 1 21 9  62 o 1.011000       1.566000      ?             ?      
1 1 1 21 9  63 f -2.319000      1.579000      ?             ?      
1 1 1 21 9  64 o 4.473000       1.548000      ?             ?      
1 1 1 21 9  65 o -1.380000      1.358000      ?             ?      
1 1 1 21 9  66 o 3.971000       1.305000      ?             ?      
1 1 1 21 9  67 o 1.811000       1.311000      ?             ?      
1 1 1 21 9  68 o 0.5046000E-02  1.405000      ?             ?      
1 1 1 21 9  69 o 1.229000       2.362000      ?             ?      
1 1 1 21 9  70 o 5.235000       1.567000      ?             ?      
1 1 1 21 10 0  o 1.041000       1.087000      97.69355      90.0   
1 1 1 21 10 1  o 55.11000       2.046000      1300.333      89.6   
1 1 1 21 10 2  o 286.8000       5.028000      2031.932      20.4   
1 1 1 21 10 3  f 79.88000       1.998000      1561.763      -112.0 
1 1 1 21 10 4  o 14.06000       0.9481000     561.6927      -173.9 
1 1 1 21 10 5  o 339.5000       8.306000      2526.168      55.1   
1 1 1 21 10 6  o 33.57000       1.315000      603.3671      45.7   
1 1 1 21 10 7  o 12.29000       0.9664000     424.3313      14.7   
1 1 1 21 10 8  o 4.265000       1.119000      471.0320      -68.0  
1 1 1 21 10 9  o 60.55000       1.872000      786.9930      16.2   
1 1 1 21 10 10 o 65.91000       2.109000      1128.739      59.6   
1 1 1 21 10 11 o 10.45000       1.208000      384.4070      110.9  
1 1 1 21 10 12 o 49.97000       2.008000      825.7520      177.9  
1 1 1 21 10 13 o 21.40000       1.265000      576.2299      -158.1 
1 1 1 21 10 14 o 326.8000       6.825000      2563.802      -34.9  
1 1 1 21 10 15 o 8.432000       1.413000      414.8312      12.2   
1 1 1 21 10 16 o 16.83000       1.527000      784.1309      57.7   
1 1 1 21 10 17 o 28.39000       1.370000      776.6925      -37.6  
1 1 1 21 10 18 o 127.1000       3.731000      1325.766      -127.6 
1 1 1 21 10 19 o 187.4000       4.753000      1934.424      70.9   
1 1 1 21 10 20 o 15.21000       1.411000      533.4030      50.8   
1 1 1 21 10 21 o 7.371000       1.226000      347.8244      136.6  
1 1 1 21 10 22 o 36.36000       1.571000      708.3039      -111.6 
1 1 1 21 10 23 o 23.43000       1.584000      614.8580      45.8   
1 1 1 21 10 24 o 12.29000       1.284000      392.0486      -69.8  
1 1 1 21 10 25 o 111.7000       2.813000      1572.972      -93.7  
1 1 1 21 10 26 o 47.10000       1.623000      983.3683      -79.9  
1 1 1 21 10 27 o 85.25000       2.284000      1462.843      -87.0  
1 1 1 21 10 28 o 9.855000       1.019000      353.0926      -127.8 
1 1 1 21 10 29 o 4.405000       0.9823000     494.0276      -120.1 
1 1 1 21 10 30 o 30.41000       1.364000      676.9686      -84.9  
1 1 1 21 10 31 o 3.989000       0.9809000     419.7806      -139.9 
1 1 1 21 10 32 o 5.327000       1.008000      461.1137      -135.5 
1 1 1 21 10 33 o 87.06000       2.184000      1238.716      61.4   
1 1 1 21 10 34 o 0.8077000      1.025000      180.4190      -11.1  
1 1 1 21 10 35 o 37.03000       1.479000      903.6839      118.3  
1 1 1 21 10 36 o 10.99000       1.218000      531.5079      31.2   
1 1 1 21 10 37 o 32.23000       1.533000      804.6846      68.2   
1 1 1 21 10 38 o 18.77000       1.263000      776.3011      -119.5 
1 1 1 21 10 39 o 2.486000       1.062000      246.3084      0.8    
1 1 1 21 10 40 o 19.11000       1.246000      603.9679      24.0   
1 1 1 21 10 41 o 24.19000       1.317000      713.7383      -97.3  
1 1 1 21 10 42 o 5.856000       1.162000      393.3867      -153.9 
1 1 1 21 10 43 o 7.242000       1.295000      260.2434      45.9   
1 1 1 21 10 44 o 21.05000       1.491000      691.0633      -48.0  
1 1 1 21 10 45 o 0.9378000      1.318000      253.9703      -152.9 
1 1 1 21 10 46 o 5.563000       1.414000      338.7650      43.9   
1 1 1 21 10 47 o 5.494000       1.501000      266.9880      165.8  
1 1 1 21 10 48 o 12.18000       1.467000      420.0790      -26.1  
1 1 1 21 10 49 o 0.3052000      1.332000      144.8743      -56.7  
1 1 1 21 10 50 o 4.366000       1.382000      237.6118      142.1  
1 1 1 21 10 51 o 29.12000       1.610000      876.6871      166.0  
1 1 1 21 10 52 o 11.00000       1.434000      530.5637      -113.5 
1 1 1 21 10 53 o 3.992000       1.469000      252.3446      23.9   
1 1 1 21 10 54 o 1.552000       1.652000      ?             ?      
1 1 1 21 10 55 o 9.905000       1.550000      ?             ?      
1 1 1 21 10 56 o 2.876000       1.320000      ?             ?      
1 1 1 21 10 57 o 2.131000       1.296000      ?             ?      
1 1 1 21 10 58 o 11.46000       1.363000      ?             ?      
1 1 1 21 10 59 o 9.597000       1.328000      ?             ?      
1 1 1 21 10 60 o 3.973000       1.295000      ?             ?      
1 1 1 21 10 61 o 10.16000       1.480000      ?             ?      
1 1 1 21 10 62 o 1.788000       1.524000      ?             ?      
1 1 1 21 10 63 o 3.846000       1.598000      ?             ?      
1 1 1 21 10 64 o 0.9759000      1.655000      ?             ?      
1 1 1 21 10 65 o 2.178000       1.424000      ?             ?      
1 1 1 21 10 66 o -1.455000      1.346000      ?             ?      
1 1 1 21 10 67 o 1.145000       1.380000      ?             ?      
1 1 1 21 10 68 o -0.7738000     1.418000      ?             ?      
1 1 1 21 10 69 o 1.397000       1.531000      ?             ?      
1 1 1 21 10 70 o 0.6389000      1.520000      ?             ?      
1 1 1 21 11 0  o 3.933000       1.129000      174.0594      90.0   
1 1 1 21 11 1  o 0.5867000      0.9107000     444.4838      125.3  
1 1 1 21 11 2  o 16.48000       1.130000      861.8186      -142.9 
1 1 1 21 11 3  o 42.72000       1.892000      798.8492      -49.3  
1 1 1 21 11 4  o 541.0000       11.39000      2738.957      61.0   
1 1 1 21 11 5  o 32.42000       1.509000      1067.266      -131.1 
1 1 1 21 11 6  o 27.08000       1.710000      371.8977      50.9   
1 1 1 21 11 7  o 92.90000       2.692000      930.2322      19.5   
1 1 1 21 11 8  o 62.50000       2.697000      1090.964      78.8   
1 1 1 21 11 9  o 62.01000       1.984000      1129.778      155.3  
1 1 1 21 11 10 o 4.399000       1.371000      395.2214      3.2    
1 1 1 21 11 11 o 48.66000       2.007000      1026.819      125.3  
1 1 1 21 11 12 o 3.299000       1.208000      235.2477      15.0   
1 1 1 21 11 13 o 27.97000       1.622000      777.5694      -178.5 
1 1 1 21 11 14 o 240.8000       5.747000      2115.231      -18.4  
1 1 1 21 11 15 o 59.00000       1.758000      1136.096      73.2   
1 1 1 21 11 16 o 50.78000       1.841000      743.5000      -41.3  
1 1 1 21 11 17 o 120.5000       3.214000      1592.893      -121.2 
1 1 1 21 11 18 o 61.56000       1.955000      1108.858      -169.4 
1 1 1 21 11 19 o 101.7000       2.904000      1024.282      -147.1 
1 1 1 21 11 20 o 38.91000       1.463000      808.7667      148.5  
1 1 1 21 11 21 o 7.768000       1.224000      273.5912      140.1  
1 1 1 21 11 22 o 86.29000       2.439000      1533.630      72.1   
1 1 1 21 11 23 o 61.35000       1.890000      1236.002      -11.4  
1 1 1 21 11 24 o 5.722000       1.426000      145.5852      167.0  
1 1 1 21 11 25 o 45.31000       1.633000      859.4151      39.3   
1 1 1 21 11 26 o 39.84000       1.777000      982.6194      72.1   
1 1 1 21 11 27 o 45.61000       1.456000      1036.718      -26.2  
1 1 1 21 11 28 o 5.742000       0.9913000     313.7333      77.9   
1 1 1 21 11 29 o 8.309000       1.019000      244.4731      125.9  
1 1 1 21 11 30 o 6.570000       1.002000      534.3971      2.2    
1 1 1 21 11 31 o 8.800000       1.016000      337.1053      146.8  
1 1 1 21 11 32 o 48.46000       1.530000      792.5924      141.1  
1 1 1 21 11 33 o 2.348000       1.006000      133.5337      162.0  
1 1 1 21 11 34 o 33.03000       1.329000      855.2216      -133.0 
1 1 1 21 11 35 o 13.73000       1.201000      697.7943      137.4  
1 1 1 21 11 36 o 9.992000       1.370000      322.1309      -164.8 
1 1 1 21 11 37 o 9.211000       1.221000      382.3494      -81.2  
1 1 1 21 11 38 o 20.57000       1.206000      643.6648      158.5  
1 1 1 21 11 39 o 0.4782000      1.067000      85.01406      -27.5  
1 1 1 21 11 40 o 26.55000       1.321000      777.7963      -18.9  
1 1 1 21 11 41 o 16.28000       1.239000      567.8425      68.7   
1 1 1 21 11 42 f 12.84000       1.223000      508.2165      -7.1   
1 1 1 21 11 43 o 11.15000       1.229000      585.0927      -13.3  
1 1 1 21 11 44 o 2.711000       1.300000      127.1007      37.5   
1 1 1 21 11 45 o 9.259000       1.492000      421.9144      -27.8  
1 1 1 21 11 46 o 7.616000       1.634000      412.9481      -59.5  
1 1 1 21 11 47 o 24.44000       1.613000      607.1176      20.0   
1 1 1 21 11 48 o 4.499000       1.432000      246.0678      57.9   
1 1 1 21 11 49 o 28.82000       1.604000      820.8428      -54.3  
1 1 1 21 11 50 o 5.860000       1.404000      282.4926      58.1   
1 1 1 21 11 51 o 10.42000       1.439000      476.4666      -90.9  
1 1 1 21 11 52 o 1.857000       1.362000      189.3953      -1.5   
1 1 1 21 11 53 o 0.3502000      1.507000      145.3410      33.5   
1 1 1 21 11 54 o 3.847000       1.620000      ?             ?      
1 1 1 21 11 55 o 2.987000       1.401000      ?             ?      
1 1 1 21 11 56 o 0.1938000      1.277000      ?             ?      
1 1 1 21 11 57 o 2.599000       1.286000      ?             ?      
1 1 1 21 11 58 o 6.763000       1.306000      ?             ?      
1 1 1 21 11 59 o 1.152000       1.259000      ?             ?      
1 1 1 21 11 60 o 1.978000       1.254000      ?             ?      
1 1 1 21 11 61 o -0.9618000     1.268000      ?             ?      
1 1 1 21 11 62 o 0.1230000      1.403000      ?             ?      
1 1 1 21 11 63 o 0.5568000E-01  1.367000      ?             ?      
1 1 1 21 11 64 o -1.081000      1.367000      ?             ?      
1 1 1 21 11 65 o 3.312000       1.402000      ?             ?      
1 1 1 21 11 66 o -0.6796000E-01 1.392000      ?             ?      
1 1 1 21 11 67 o 4.166000       1.624000      ?             ?      
1 1 1 21 11 68 o 3.502000       1.501000      ?             ?      
1 1 1 21 11 69 o 2.340000       1.622000      ?             ?      
1 1 1 21 11 70 o 0.8691000      1.460000      ?             ?      
1 1 1 21 12 0  o 138.7000       3.623000      1456.451      90.0   
1 1 1 21 12 1  o 58.12000       1.541000      944.3893      127.7  
1 1 1 21 12 2  o 84.05000       2.073000      1198.499      123.4  
1 1 1 21 12 3  o 137.3000       2.972000      1624.232      138.6  
1 1 1 21 12 4  o 161.9000       3.354000      1786.624      53.4   
1 1 1 21 12 5  o 85.19000       2.263000      797.6431      174.1  
1 1 1 21 12 6  o 19.89000       1.772000      750.8232      82.9   
1 1 1 21 12 7  o 118.2000       2.881000      1412.998      138.3  
1 1 1 21 12 8  o 42.98000       1.975000      1293.979      117.3  
1 1 1 21 12 9  o 5.237000       1.443000      560.7278      177.3  
1 1 1 21 12 10 o 2.648000       1.438000      431.4968      -88.0  
1 1 1 21 12 11 o 102.6000       3.690000      1238.042      89.1   
1 1 1 21 12 12 o 11.73000       2.232000      630.2686      79.9   
1 1 1 21 12 13 o 16.32000       1.368000      502.8721      29.7   
1 1 1 21 12 14 o 146.7000       3.778000      1414.745      -104.3 
1 1 1 21 12 15 o 90.91000       2.364000      1121.698      90.7   
1 1 1 21 12 16 o 182.1000       4.673000      1833.465      -38.4  
1 1 1 21 12 17 o 8.528000       1.163000      568.1495      -122.2 
1 1 1 21 12 18 o 20.34000       1.285000      560.3536      -85.4  
1 1 1 21 12 19 o 16.48000       1.236000      503.2705      30.5   
1 1 1 21 12 20 o 64.57000       1.968000      1125.833      142.2  
1 1 1 21 12 21 o 65.57000       2.053000      1183.555      -168.4 
1 1 1 21 12 22 o 2.300000       1.330000      299.2566      90.8   
1 1 1 21 12 23 o 2.211000       1.074000      103.7464      130.6  
1 1 1 21 12 24 o 30.18000       1.506000      650.2926      -165.5 
1 1 1 21 12 25 o 20.84000       1.296000      642.4761      -150.5 
1 1 1 21 12 26 o 1.372000       1.098000      206.5683      120.9  
1 1 1 21 12 27 o 41.80000       1.403000      730.1533      -125.7 
1 1 1 21 12 28 o 17.29000       1.085000      445.6879      -132.9 
1 1 1 21 12 29 o 26.77000       1.213000      640.2983      -69.5  
1 1 1 21 12 30 o 6.436000       1.000000      374.6552      -76.0  
1 1 1 21 12 31 o 29.35000       1.242000      757.1914      -163.6 
1 1 1 21 12 32 o 10.30000       1.047000      444.2851      -107.7 
1 1 1 21 12 33 o -0.6286000E-01 0.9624000     140.2325      -114.5 
1 1 1 21 12 34 o 3.269000       1.101000      189.2607      59.2   
1 1 1 21 12 35 o 2.568000       1.127000      43.68822      -22.3  
1 1 1 21 12 36 o 53.97000       1.932000      1144.940      -35.5  
1 1 1 21 12 37 o 38.99000       1.568000      864.6780      -137.4 
1 1 1 21 12 38 f 3.783000       1.077000      369.7358      -146.9 
1 1 1 21 12 39 o 31.85000       1.368000      877.5786      104.1  
1 1 1 21 12 40 o 2.116000       1.098000      313.0753      120.8  
1 1 1 21 12 41 o 22.50000       1.306000      634.8153      -112.8 
1 1 1 21 12 42 o 8.198000       1.201000      388.9725      179.4  
1 1 1 21 12 43 o 4.218000       1.186000      323.3600      114.8  
1 1 1 21 12 44 o 10.81000       1.367000      442.0689      -71.6  
1 1 1 21 12 45 o 31.20000       1.781000      808.2278      153.2  
1 1 1 21 12 46 o 4.750000       1.390000      283.2740      -26.9  
1 1 1 21 12 47 o 4.343000       1.461000      182.2122      133.4  
1 1 1 21 12 48 o 10.30000       1.610000      497.4965      17.5   
1 1 1 21 12 49 o 8.471000       1.502000      472.0710      132.5  
1 1 1 21 12 50 o 6.064000       1.417000      400.1851      8.7    
1 1 1 21 12 51 o 20.30000       1.523000      581.9284      149.8  
1 1 1 21 12 52 o 5.097000       1.451000      387.8280      -42.5  
1 1 1 21 12 53 o 3.550000       1.622000      393.4757      144.0  
1 1 1 21 12 54 o 1.002000       1.476000      ?             ?      
1 1 1 21 12 55 o 7.589000       1.330000      ?             ?      
1 1 1 21 12 56 o 4.938000       1.296000      ?             ?      
1 1 1 21 12 57 o 5.347000       1.284000      ?             ?      
1 1 1 21 12 58 o 5.033000       1.271000      ?             ?      
1 1 1 21 12 59 o 3.201000       1.253000      ?             ?      
1 1 1 21 12 60 o 0.8435000      1.241000      ?             ?      
1 1 1 21 12 61 o 2.515000       1.253000      ?             ?      
1 1 1 21 12 62 o 1.885000       1.409000      ?             ?      
1 1 1 21 12 63 o 1.853000       1.402000      ?             ?      
1 1 1 21 12 64 o 1.254000       1.591000      ?             ?      
1 1 1 21 12 65 o 0.9947000      1.488000      ?             ?      
1 1 1 21 12 66 o 0.3857000      1.375000      ?             ?      
1 1 1 21 12 67 o -0.9207000     1.397000      ?             ?      
1 1 1 21 12 68 o 2.022000       1.628000      ?             ?      
1 1 1 21 12 69 o 3.682000       1.529000      ?             ?      
1 1 1 21 12 70 o 3.913000       1.552000      ?             ?      
1 1 1 21 13 0  o 3.737000       1.578000      231.6044      90.0   
1 1 1 21 13 1  o 67.61000       1.590000      1031.577      108.3  
1 1 1 21 13 2  o 47.19000       1.576000      853.1371      78.6   
1 1 1 21 13 3  o 18.34000       1.014000      513.6619      -71.8  
1 1 1 21 13 4  o 20.48000       1.053000      692.9843      112.9  
1 1 1 21 13 5  o 99.76000       2.386000      1383.754      -131.0 
1 1 1 21 13 6  o 136.9000       3.739000      1388.901      33.4   
1 1 1 21 13 7  o 36.73000       1.847000      849.8490      -150.4 
1 1 1 21 13 8  o 5.321000       1.361000      241.0863      -88.1  
1 1 1 21 13 9  o 61.20000       2.715000      1326.655      -175.5 
1 1 1 21 13 10 o 0.9629000      1.403000      302.2599      -92.7  
1 1 1 21 13 11 o 36.56000       2.008000      944.9472      -159.5 
1 1 1 21 13 12 o 53.64000       2.414000      1199.196      -53.4  
1 1 1 21 13 13 o 13.46000       1.541000      599.4883      -41.9  
1 1 1 21 13 14 o 8.336000       1.139000      614.3729      56.7   
1 1 1 21 13 15 o 28.60000       1.565000      932.7388      -32.6  
1 1 1 21 13 16 o 25.30000       1.387000      964.1345      -74.1  
1 1 1 21 13 17 o 23.19000       1.300000      745.3492      100.0  
1 1 1 21 13 18 o 8.253000       1.115000      171.3700      -1.6   
1 1 1 21 13 19 o 44.13000       1.664000      963.2959      -79.1  
1 1 1 21 13 20 o 9.006000       1.150000      300.3757      29.9   
1 1 1 21 13 21 o 11.71000       1.123000      556.1888      -30.5  
1 1 1 21 13 22 o 86.33000       2.630000      1373.792      -30.1  
1 1 1 21 13 23 o 30.65000       1.338000      971.1095      -60.5  
1 1 1 21 13 24 o 5.676000       1.098000      199.1985      -81.1  
1 1 1 21 13 25 o 33.83000       1.566000      767.3417      48.1   
1 1 1 21 13 26 o 60.20000       2.160000      1034.393      52.5   
1 1 1 21 13 27 o 0.8953000      1.104000      66.92390      -160.8 
1 1 1 21 13 28 o 9.898000       1.026000      589.5368      -62.8  
1 1 1 21 13 29 o 2.899000       0.9919000     281.5537      78.6   
1 1 1 21 13 30 o 3.783000       0.9908000     157.5419      6.4    
1 1 1 21 13 31 o 4.449000       0.9943000     346.2989      -134.7 
1 1 1 21 13 32 o 1.450000       0.9747000     179.4257      -125.7 
1 1 1 21 13 33 o 3.446000       0.9765000     256.1760      13.4   
1 1 1 21 13 34 o 16.13000       1.223000      495.3288      145.2  
1 1 1 21 13 35 o 6.212000       1.318000      336.8241      150.7  
1 1 1 21 13 36 o 32.08000       1.532000      853.3215      -119.7 
1 1 1 21 13 37 o 10.00000       1.116000      488.2032      -96.8  
1 1 1 21 13 38 o 51.28000       1.659000      1041.331      -129.2 
1 1 1 21 13 39 o 6.412000       1.100000      515.9666      91.3   
1 1 1 21 13 40 o 7.099000       1.123000      510.8381      120.7  
1 1 1 21 13 41 o 10.33000       1.184000      365.3181      -24.1  
1 1 1 21 13 42 o 42.65000       1.596000      938.7701      -40.4  
1 1 1 21 13 43 o 9.453000       1.217000      392.8829      -38.5  
1 1 1 21 13 44 o 4.280000       1.344000      343.0921      -108.9 
1 1 1 21 13 45 o 7.069000       1.440000      411.4042      -24.2  
1 1 1 21 13 46 o 3.992000       1.422000      255.0761      111.5  
1 1 1 21 13 47 o 3.858000       1.465000      361.2484      41.0   
1 1 1 21 13 48 o 4.859000       1.488000      322.6613      -41.3  
1 1 1 21 13 49 o 11.12000       1.547000      348.9715      -91.1  
1 1 1 21 13 50 o 10.03000       1.455000      645.8363      -175.4 
1 1 1 21 13 51 o 1.353000       1.376000      97.87469      53.9   
1 1 1 21 13 52 o 0.1224000      1.499000      72.98048      -81.0  
1 1 1 21 13 53 o -0.4924000     1.616000      ?             ?      
1 1 1 21 13 54 o -0.2485000     1.451000      ?             ?      
1 1 1 21 13 55 o 0.7946000      1.266000      ?             ?      
1 1 1 21 13 56 o -0.2505000     1.247000      ?             ?      
1 1 1 21 13 57 o 2.064000       1.250000      ?             ?      
1 1 1 21 13 58 o 2.110000       1.248000      ?             ?      
1 1 1 21 13 59 o 2.055000       1.248000      ?             ?      
1 1 1 21 13 60 o 1.882000       1.248000      ?             ?      
1 1 1 21 13 61 o 2.757000       1.263000      ?             ?      
1 1 1 21 13 62 o 1.753000       1.424000      ?             ?      
1 1 1 21 13 63 o 2.415000       1.519000      ?             ?      
1 1 1 21 13 64 o 3.445000       1.393000      ?             ?      
1 1 1 21 13 65 o 0.1779000      1.390000      ?             ?      
1 1 1 21 13 66 o -0.9609000     1.386000      ?             ?      
1 1 1 21 13 67 o -0.2128000     1.465000      ?             ?      
1 1 1 21 13 68 o -1.656000      1.601000      ?             ?      
1 1 1 21 13 69 o 3.556000       1.451000      ?             ?      
1 1 1 21 13 70 o 2.638000       1.575000      ?             ?      
1 1 1 21 14 0  o 342.1000       9.880000      2476.335      90.0   
1 1 1 21 14 1  o 10.34000       1.094000      511.2767      147.0  
1 1 1 21 14 2  o 10.89000       1.732000      720.2051      87.5   
1 1 1 21 14 3  o 32.73000       1.315000      1041.936      112.8  
1 1 1 21 14 4  o 26.67000       1.499000      968.7264      -118.8 
1 1 1 21 14 5  o 58.07000       2.286000      995.0392      159.5  
1 1 1 21 14 6  o 93.13000       2.551000      1531.048      115.4  
1 1 1 21 14 7  o 52.86000       2.527000      1180.668      142.9  
1 1 1 21 14 8  o 24.81000       2.299000      723.1860      144.0  
1 1 1 21 14 9  o 23.18000       1.958000      734.8188      -32.0  
1 1 1 21 14 10 o 8.350000       1.387000      776.8580      2.9    
1 1 1 21 14 11 o 33.30000       1.690000      796.6760      90.4   
1 1 1 21 14 12 o 13.14000       1.466000      1034.530      4.0    
1 1 1 21 14 13 o 11.57000       1.200000      517.9030      -28.3  
1 1 1 21 14 14 o 19.15000       1.489000      746.2495      -126.3 
1 1 1 21 14 15 o 37.67000       1.536000      940.0651      44.6   
1 1 1 21 14 16 o 24.30000       1.313000      800.2930      87.1   
1 1 1 21 14 17 o 25.70000       1.318000      863.5156      93.7   
1 1 1 21 14 18 o 10.55000       1.142000      444.2040      -57.5  
1 1 1 21 14 19 o 12.35000       1.172000      577.4182      39.4   
1 1 1 21 14 20 o 19.27000       1.247000      408.6004      151.1  
1 1 1 21 14 21 o 23.85000       1.331000      813.9656      147.0  
1 1 1 21 14 22 o 32.34000       1.378000      879.4769      69.5   
1 1 1 21 14 23 o -0.8063000     1.066000      166.0338      98.4   
1 1 1 21 14 24 o 33.84000       1.384000      1058.492      162.2  
1 1 1 21 14 25 o 32.02000       1.523000      936.7321      98.6   
1 1 1 21 14 26 o 15.34000       1.513000      699.2673      106.8  
1 1 1 21 14 27 o 4.309000       1.126000      347.8600      -90.1  
1 1 1 21 14 28 o 20.92000       1.461000      650.1520      -87.3  
1 1 1 21 14 29 o 8.905000       1.032000      594.8676      70.1   
1 1 1 21 14 30 o 5.492000       1.022000      504.6688      -52.9  
1 1 1 21 14 31 o 23.56000       1.200000      706.9001      -131.5 
1 1 1 21 14 32 o 5.892000       1.018000      474.1534      -120.9 
1 1 1 21 14 33 o -0.3868000     1.037000      210.7895      53.5   
1 1 1 21 14 34 o 10.59000       1.184000      388.7939      17.3   
1 1 1 21 14 35 o 12.01000       1.231000      566.3964      -65.2  
1 1 1 21 14 36 o 17.39000       1.248000      592.7089      -64.2  
1 1 1 21 14 37 o 4.991000       1.079000      455.7722      -75.9  
1 1 1 21 14 38 o 1.389000       1.066000      196.8886      124.1  
1 1 1 21 14 39 o 4.264000       1.094000      304.2081      174.7  
1 1 1 21 14 40 o 14.94000       1.197000      480.9777      144.0  
1 1 1 21 14 41 o 1.539000       1.127000      262.5078      162.4  
1 1 1 21 14 42 o 11.58000       1.231000      538.2419      98.6   
1 1 1 21 14 43 o 0.3606000E-01  1.167000      104.7141      62.9   
1 1 1 21 14 44 o 2.217000       1.220000      102.5042      -77.7  
1 1 1 21 14 45 o 18.23000       1.539000      454.1199      134.1  
1 1 1 21 14 46 o 1.613000       1.507000      92.74823      151.0  
1 1 1 21 14 47 o 1.308000       1.426000      139.4533      133.5  
1 1 1 21 14 48 o 2.651000       1.501000      318.3080      16.2   
1 1 1 21 14 49 o 2.405000       1.638000      204.4236      -105.3 
1 1 1 21 14 50 o 12.01000       1.563000      443.9068      -17.4  
1 1 1 21 14 51 o 8.787000       1.505000      516.9315      171.6  
1 1 1 21 14 52 o 4.974000       1.547000      321.5433      -105.7 
1 1 1 21 14 53 o 8.629000       1.560000      ?             ?      
1 1 1 21 14 54 o 5.630000       1.307000      ?             ?      
1 1 1 21 14 55 f 2.830000       1.270000      ?             ?      
1 1 1 21 14 56 o 2.812000       1.252000      ?             ?      
1 1 1 21 14 57 o 0.6360000      1.230000      ?             ?      
1 1 1 21 14 58 o 2.363000       1.244000      ?             ?      
1 1 1 21 14 59 o 2.831000       1.249000      ?             ?      
1 1 1 21 14 60 o 0.8689000      1.241000      ?             ?      
1 1 1 21 14 61 o 1.609000       1.254000      ?             ?      
1 1 1 21 14 62 o 7.390000       1.320000      ?             ?      
1 1 1 21 14 63 o 1.146000       1.410000      ?             ?      
1 1 1 21 14 64 o -1.386000      1.379000      ?             ?      
1 1 1 21 14 65 o 0.8674000      1.402000      ?             ?      
1 1 1 21 14 66 o 1.546000       2.112000      ?             ?      
1 1 1 21 14 67 o -2.631000      1.858000      ?             ?      
1 1 1 21 14 68 o 3.182000       1.508000      ?             ?      
1 1 1 21 14 69 o 2.995000       1.348000      ?             ?      
1 1 1 21 15 0  o 24.91000       1.889000      925.1306      90.0   
1 1 1 21 15 1  o 13.80000       1.081000      690.3005      -177.2 
1 1 1 21 15 2  o 8.545000       0.9501000     467.0261      129.0  
1 1 1 21 15 3  o 91.80000       2.857000      1474.830      -70.2  
1 1 1 21 15 4  o 9.235000       1.256000      346.3037      153.3  
1 1 1 21 15 5  o 6.629000       1.304000      510.9165      -24.5  
1 1 1 21 15 6  o 5.332000       1.425000      515.8535      -21.5  
1 1 1 21 15 7  o 124.5000       3.839000      1867.670      -143.8 
1 1 1 21 15 8  o 0.1927000      1.524000      276.9984      20.7   
1 1 1 21 15 9  o 4.428000       1.238000      731.8940      -98.8  
1 1 1 21 15 10 o 5.994000       1.507000      255.7117      -22.9  
1 1 1 21 15 11 o 24.98000       1.597000      567.2716      -134.8 
1 1 1 21 15 12 o 1.585000       1.361000      165.6376      112.3  
1 1 1 21 15 13 o 12.70000       1.522000      514.8642      105.9  
1 1 1 21 15 14 o 8.667000       1.221000      665.3116      -121.0 
1 1 1 21 15 15 o 67.55000       2.008000      1187.646      -82.1  
1 1 1 21 15 16 o 18.99000       1.288000      709.5040      131.4  
1 1 1 21 15 17 o 9.213000       1.143000      410.0585      64.9   
1 1 1 21 15 18 o 9.253000       1.115000      547.8535      -49.7  
1 1 1 21 15 19 o 72.08000       2.203000      1202.161      -10.7  
1 1 1 21 15 20 o -0.6300000     1.110000      134.2739      -153.0 
1 1 1 21 15 21 o 19.50000       1.216000      694.3173      -97.2  
1 1 1 21 15 22 o 29.31000       1.372000      971.3118      -105.2 
1 1 1 21 15 23 o 5.923000       1.070000      343.0806      -57.4  
1 1 1 21 15 24 o 1.303000       1.046000      94.60686      -82.2  
1 1 1 21 15 25 o 10.39000       1.095000      440.0168      15.5   
1 1 1 21 15 26 o -1.345000      1.197000      90.17078      -9.0   
1 1 1 21 15 27 o 5.949000       1.160000      485.1861      -166.0 
1 1 1 21 15 28 o 5.815000       1.175000      489.8549      -50.5  
1 1 1 21 15 29 o 7.683000       1.054000      308.2150      -36.1  
1 1 1 21 15 30 o 0.2151000      0.9969000     106.3248      64.6   
1 1 1 21 15 31 o 8.310000       1.050000      400.7058      -4.1   
1 1 1 21 15 32 o 9.576000       1.071000      340.2824      -142.9 
1 1 1 21 15 33 o 13.80000       1.217000      468.0255      7.6    
1 1 1 21 15 34 o 0.9723000      1.247000      139.7231      -97.3  
1 1 1 21 15 35 o 2.348000       1.137000      263.5682      -141.0 
1 1 1 21 15 36 o -0.1129000     1.029000      187.5266      76.5   
1 1 1 21 15 37 o 50.95000       1.657000      1138.623      -96.9  
1 1 1 21 15 38 o 2.303000       1.075000      117.5319      -15.4  
1 1 1 21 15 39 o 3.238000       1.077000      277.3773      144.8  
1 1 1 21 15 40 o 5.443000       1.142000      373.3477      -116.7 
1 1 1 21 15 41 o 10.61000       1.202000      465.3831      -138.0 
1 1 1 21 15 42 o 1.058000       1.152000      218.0445      -98.7  
1 1 1 21 15 43 o 6.426000       1.221000      343.3647      -163.8 
1 1 1 21 15 44 o 8.386000       1.289000      449.4281      -85.7  
1 1 1 21 15 45 o 1.833000       1.405000      117.7596      72.9   
1 1 1 21 15 46 o 1.761000       1.527000      193.4922      117.9  
1 1 1 21 15 47 o 3.469000       1.433000      260.3997      -78.8  
1 1 1 21 15 48 o 7.286000       1.429000      347.8300      -41.7  
1 1 1 21 15 49 o -0.1355000     1.534000      243.5635      -142.3 
1 1 1 21 15 50 o 1.476000       1.504000      79.32165      -102.3 
1 1 1 21 15 51 o 19.42000       1.740000      704.0354      101.0  
1 1 1 21 15 52 o 2.381000       1.702000      309.9284      -148.6 
1 1 1 21 15 53 o -0.5112000     1.478000      ?             ?      
1 1 1 21 15 54 o 4.552000       1.300000      ?             ?      
1 1 1 21 15 55 o 2.834000       1.268000      ?             ?      
1 1 1 21 15 56 o -0.1267000     1.226000      ?             ?      
1 1 1 21 15 57 o 1.683000       1.228000      ?             ?      
1 1 1 21 15 58 o 1.785000       1.240000      ?             ?      
1 1 1 21 15 59 o 1.299000       1.240000      ?             ?      
1 1 1 21 15 60 o 7.030000       1.277000      ?             ?      
1 1 1 21 15 61 o -2.232000      1.249000      ?             ?      
1 1 1 21 15 62 o -0.5977000     1.250000      ?             ?      
1 1 1 21 15 63 o 1.465000       1.418000      ?             ?      
1 1 1 21 15 64 o 2.490000       1.533000      ?             ?      
1 1 1 21 15 65 o 0.4837000      1.404000      ?             ?      
1 1 1 21 15 66 o 2.729000       1.650000      ?             ?      
1 1 1 21 15 67 o -0.3789000E-01 1.882000      ?             ?      
1 1 1 21 15 68 o 1.527000       1.426000      ?             ?      
1 1 1 21 15 69 o 0.1574000      1.314000      ?             ?      
1 1 1 21 16 0  o -2.391000      1.278000      108.7290      90.0   
1 1 1 21 16 1  o 4.634000       1.022000      559.2092      26.8   
1 1 1 21 16 2  o 2.432000       0.9746000     193.0205      12.9   
1 1 1 21 16 3  o 14.86000       1.860000      783.1118      137.7  
1 1 1 21 16 4  o 1.792000       1.667000      426.4626      110.9  
1 1 1 21 16 5  o 16.01000       1.468000      660.3682      31.2   
1 1 1 21 16 6  o 1.100000       1.376000      344.2609      -123.9 
1 1 1 21 16 7  o -0.3243000E-02 1.484000      78.26751      103.0  
1 1 1 21 16 8  o 17.57000       1.567000      730.9214      -11.2  
1 1 1 21 16 9  o 10.55000       1.268000      692.0644      39.1   
1 1 1 21 16 10 o 9.676000       1.473000      540.6589      -87.9  
1 1 1 21 16 11 o 0.4363000      1.552000      304.8456      118.0  
1 1 1 21 16 12 o 20.75000       1.591000      558.7150      -1.7   
1 1 1 21 16 13 o 10.62000       1.320000      558.4258      -83.8  
1 1 1 21 16 14 o 12.01000       1.186000      387.0963      -8.1   
1 1 1 21 16 15 o -0.4274000     1.121000      325.6559      56.3   
1 1 1 21 16 16 o 41.79000       1.623000      811.8413      88.1   
1 1 1 21 16 17 o 2.234000       1.096000      249.8456      48.5   
1 1 1 21 16 18 o 3.697000       1.085000      417.6620      24.5   
1 1 1 21 16 19 o 16.79000       1.215000      565.5986      -1.0   
1 1 1 21 16 20 o 17.91000       1.248000      707.3130      -158.3 
1 1 1 21 16 21 o 0.8631000      1.053000      134.7060      -132.8 
1 1 1 21 16 22 o 8.961000       1.085000      377.3054      43.7   
1 1 1 21 16 23 o 2.901000       1.048000      328.8746      -5.2   
1 1 1 21 16 24 o -1.490000      1.043000      456.4201      170.1  
1 1 1 21 16 25 o 17.36000       1.176000      588.6906      78.9   
1 1 1 21 16 26 o 2.252000       1.066000      344.1021      43.6   
1 1 1 21 16 27 o 14.22000       1.353000      566.3281      11.0   
1 1 1 21 16 28 o 9.530000       1.240000      412.9262      -47.1  
1 1 1 21 16 29 o 6.266000       1.196000      192.0197      -67.7  
1 1 1 21 16 30 o 21.44000       1.186000      662.3104      -32.9  
1 1 1 21 16 31 o -0.8016000     1.007000      171.0470      -157.3 
1 1 1 21 16 32 o 28.02000       1.413000      650.3765      38.0   
1 1 1 21 16 33 o 5.120000       1.162000      206.8981      -29.3  
1 1 1 21 16 34 o 1.139000       1.202000      316.3822      91.0   
1 1 1 21 16 35 o 11.41000       1.160000      551.6929      -47.2  
1 1 1 21 16 36 o 4.553000       1.062000      413.6985      -65.5  
1 1 1 21 16 37 o 1.762000       1.089000      305.1725      28.1   
1 1 1 21 16 38 o 3.754000       1.100000      406.4469      -2.5   
1 1 1 21 16 39 o 2.117000       1.087000      219.2108      -121.8 
1 1 1 21 16 40 o 2.328000       1.115000      123.0608      93.6   
1 1 1 21 16 41 o 0.5231000      1.159000      84.74656      -120.1 
1 1 1 21 16 42 o 2.112000       1.186000      319.3394      -5.3   
1 1 1 21 16 43 o 14.48000       1.328000      550.9921      -19.7  
1 1 1 21 16 44 o 3.261000       1.270000      335.4101      126.9  
1 1 1 21 16 45 o 10.25000       1.380000      576.9084      105.5  
1 1 1 21 16 46 o 0.6556000      1.461000      243.2503      -112.6 
1 1 1 21 16 47 o 6.538000       1.636000      346.6593      -15.1  
1 1 1 21 16 48 o 1.964000       1.494000      220.7815      -88.0  
1 1 1 21 16 49 o 1.522000       1.510000      88.74529      132.2  
1 1 1 21 16 50 o 2.479000       1.753000      136.8831      161.1  
1 1 1 21 16 51 o 3.102000       1.724000      313.1804      -123.5 
1 1 1 21 16 52 o 4.414000       1.561000      ?             ?      
1 1 1 21 16 53 o 2.589000       1.313000      ?             ?      
1 1 1 21 16 54 o 0.5495000      1.260000      ?             ?      
1 1 1 21 16 55 o 1.410000       1.250000      ?             ?      
1 1 1 21 16 56 o -1.154000      1.233000      ?             ?      
1 1 1 21 16 57 o -0.2060000     1.215000      ?             ?      
1 1 1 21 16 58 o 1.610000       1.242000      ?             ?      
1 1 1 21 16 59 o 3.137000       1.256000      ?             ?      
1 1 1 21 16 60 o 1.785000       1.244000      ?             ?      
1 1 1 21 16 61 o 0.6741000      1.254000      ?             ?      
1 1 1 21 16 62 o 2.334000       1.265000      ?             ?      
1 1 1 21 16 63 o 0.8777000      1.422000      ?             ?      
1 1 1 21 16 64 o 0.3721000      1.422000      ?             ?      
1 1 1 21 16 65 o 0.9110000      1.572000      ?             ?      
1 1 1 21 16 66 o 0.3694000E-01  1.732000      ?             ?      
1 1 1 21 16 67 o -0.2229000     1.825000      ?             ?      
1 1 1 21 16 68 o -1.165000      1.417000      ?             ?      
1 1 1 21 16 69 o 1.376000       1.344000      ?             ?      
1 1 1 21 17 0  o 0.2703000      1.794000      182.3873      90.0   
1 1 1 21 17 1  o 2.581000       1.023000      442.2706      -170.8 
1 1 1 21 17 2  o 37.12000       1.477000      837.4146      133.4  
1 1 1 21 17 3  o 15.75000       1.196000      744.9432      -71.0  
1 1 1 21 17 4  o 2.220000       1.406000      215.5439      96.7   
1 1 1 21 17 5  o 7.445000       1.462000      536.7008      -43.4  
1 1 1 21 17 6  o -0.7650000     1.418000      213.5198      141.1  
1 1 1 21 17 7  o 7.361000       1.248000      383.0317      157.1  
1 1 1 21 17 8  o 16.30000       1.374000      550.2664      33.8   
1 1 1 21 17 9  o 3.750000       1.563000      311.6067      39.3   
1 1 1 21 17 10 o -0.4762000     1.361000      164.6900      -149.7 
1 1 1 21 17 11 o 1.749000       1.363000      223.5474      -177.9 
1 1 1 21 17 12 o 2.004000       1.224000      387.6083      173.1  
1 1 1 21 17 13 o 11.40000       1.257000      549.4730      8.2    
1 1 1 21 17 14 o 14.15000       1.377000      512.5259      -111.9 
1 1 1 21 17 15 o 18.89000       1.234000      614.2249      -149.0 
1 1 1 21 17 16 o 12.07000       1.265000      597.5983      128.6  
1 1 1 21 17 17 o 2.581000       1.129000      388.9028      172.4  
1 1 1 21 17 18 o 14.36000       1.174000      552.3786      100.5  
1 1 1 21 17 19 o 0.9876000E-01  1.074000      120.6446      -14.6  
1 1 1 21 17 20 o -0.6413000     1.122000      198.7114      40.5   
1 1 1 21 17 21 o 7.877000       1.114000      467.7006      -28.9  
1 1 1 21 17 22 o -0.2599000E-01 1.014000      203.4211      0.1    
1 1 1 21 17 23 o 6.070000       1.078000      568.7358      -7.8   
1 1 1 21 17 24 o 10.01000       1.045000      428.3787      -97.9  
1 1 1 21 17 25 o 1.576000       1.069000      171.4680      -34.3  
1 1 1 21 17 26 o 0.8328000E-01  1.066000      87.14950      -51.9  
1 1 1 21 17 27 o 5.983000       1.288000      413.9371      -20.7  
1 1 1 21 17 28 o 5.047000       1.202000      290.9751      17.1   
1 1 1 21 17 29 o 0.9962000      1.169000      268.0907      99.2   
1 1 1 21 17 30 o 2.330000       1.029000      255.3053      36.5   
1 1 1 21 17 31 o 7.505000       1.052000      246.6050      121.5  
1 1 1 21 17 32 o 0.4826000      1.104000      63.85781      3.5    
1 1 1 21 17 33 o 3.646000       1.285000      293.9437      -128.5 
1 1 1 21 17 34 o 10.95000       1.243000      539.1354      -13.9  
1 1 1 21 17 35 o -0.1567000     1.046000      160.4260      133.6  
1 1 1 21 17 36 o 2.813000       1.062000      303.4124      2.5    
1 1 1 21 17 37 o 19.71000       1.241000      564.7400      -94.9  
1 1 1 21 17 38 o 13.05000       1.175000      621.9468      69.4   
1 1 1 21 17 39 o 2.782000       1.101000      128.6443      43.9   
1 1 1 21 17 40 o -0.5800000     1.116000      38.26119      -88.4  
1 1 1 21 17 41 o 6.954000       1.218000      467.1464      105.9  
1 1 1 21 17 42 o 1.319000       1.212000      227.6322      -117.7 
1 1 1 21 17 43 o 5.144000       1.269000      294.0340      166.0  
1 1 1 21 17 44 o 2.401000       1.277000      202.5587      100.7  
1 1 1 21 17 45 o 1.148000       1.309000      116.7140      99.1   
1 1 1 21 17 46 o 0.1038000      1.473000      98.44927      -84.5  
1 1 1 21 17 47 o 6.072000       1.664000      380.9963      -61.8  
1 1 1 21 17 48 o 1.782000       1.484000      150.6515      58.7   
1 1 1 21 17 49 o 2.091000       1.509000      139.1484      -103.4 
1 1 1 21 17 50 o 6.536000       1.733000      445.7920      50.3   
1 1 1 21 17 51 o 4.686000       2.066000      305.0305      99.5   
1 1 1 21 17 52 o 4.436000       1.543000      ?             ?      
1 1 1 21 17 53 o 1.568000       1.293000      ?             ?      
1 1 1 21 17 54 o 1.023000       1.258000      ?             ?      
1 1 1 21 17 55 o 1.627000       1.246000      ?             ?      
1 1 1 21 17 56 o -0.7770000     1.222000      ?             ?      
1 1 1 21 17 57 o 1.619000       1.234000      ?             ?      
1 1 1 21 17 58 o 0.1374000E-01  1.226000      ?             ?      
1 1 1 21 17 59 o 0.8096000      1.249000      ?             ?      
1 1 1 21 17 60 o -0.7506000     1.243000      ?             ?      
1 1 1 21 17 61 o 2.086000       1.258000      ?             ?      
1 1 1 21 17 62 o 1.112000       1.262000      ?             ?      
1 1 1 21 17 63 o -1.806000      1.251000      ?             ?      
1 1 1 21 17 64 o 0.7161000      1.415000      ?             ?      
1 1 1 21 17 65 o 0.7594000      1.643000      ?             ?      
1 1 1 21 17 66 o -1.997000      1.769000      ?             ?      
1 1 1 21 17 67 o 2.988000       1.728000      ?             ?      
1 1 1 21 17 68 o 0.5957000      1.454000      ?             ?      
1 1 1 21 18 0  o 0.4554000      1.306000      74.71582      -90.0  
1 1 1 21 18 1  o 1.257000       0.9895000     223.1327      34.3   
1 1 1 21 18 2  o -0.6507000     1.340000      107.9300      -119.3 
1 1 1 21 18 3  f -0.3846000     1.265000      235.8999      151.9  
1 1 1 21 18 4  o 4.451000       1.453000      526.7557      3.9    
1 1 1 21 18 5  o 1.464000       1.528000      253.3840      -115.3 
1 1 1 21 18 6  o 4.152000       1.275000      213.1169      -136.0 
1 1 1 21 18 7  o 2.947000       1.197000      315.5646      135.1  
1 1 1 21 18 8  o 4.361000       1.214000      320.0975      -155.5 
1 1 1 21 18 9  o 4.753000       1.364000      280.0164      90.0   
1 1 1 21 18 10 o 3.611000       1.363000      347.6472      -73.3  
1 1 1 21 18 11 o 5.853000       1.381000      305.2609      26.2   
1 1 1 21 18 12 o 12.21000       1.268000      578.3521      -50.8  
1 1 1 21 18 13 o 2.431000       1.211000      232.2077      -57.7  
1 1 1 21 18 14 o 5.025000       1.283000      17.62115      166.8  
1 1 1 21 18 15 o 1.301000       1.291000      214.7989      -150.2 
1 1 1 21 18 16 o 1.393000       1.160000      270.2162      -96.9  
1 1 1 21 18 17 o 6.473000       1.142000      292.9601      -99.5  
1 1 1 21 18 18 o 1.645000       1.101000      175.7670      -58.7  
1 1 1 21 18 19 o 2.887000       1.067000      223.1535      173.4  
1 1 1 21 18 20 o 4.538000       1.115000      241.6803      156.6  
1 1 1 21 18 21 o 1.491000       1.090000      77.29755      68.5   
1 1 1 21 18 22 o 0.4760000      1.015000      162.7279      72.2   
1 1 1 21 18 23 o 4.958000       1.049000      247.7451      -59.6  
1 1 1 21 18 24 o 0.7205000      1.000000      54.82658      108.3  
1 1 1 21 18 25 o 4.478000       1.011000      386.0815      16.9   
1 1 1 21 18 26 o 2.600000       1.083000      197.3436      83.4   
1 1 1 21 18 27 o 2.549000       1.087000      21.18901      -179.0 
1 1 1 21 18 28 o 4.268000       1.273000      277.1158      -123.1 
1 1 1 21 18 29 o 5.497000       1.213000      267.3929      167.5  
1 1 1 21 18 30 o 1.481000       1.183000      185.3568      -14.2  
1 1 1 21 18 31 o 3.754000       1.110000      348.0481      30.3   
1 1 1 21 18 32 o 1.957000       1.219000      233.7201      101.7  
1 1 1 21 18 33 o 1.844000       1.218000      40.14294      73.9   
1 1 1 21 18 34 o 2.833000       1.136000      309.8917      -54.7  
1 1 1 21 18 35 o 7.038000       1.092000      348.8535      18.8   
1 1 1 21 18 36 o 1.838000       1.069000      200.1711      -57.1  
1 1 1 21 18 37 o 1.262000       1.078000      19.07831      76.7   
1 1 1 21 18 38 o 1.764000       1.086000      222.0933      -11.2  
1 1 1 21 18 39 o 3.060000       1.115000      235.4733      -129.0 
1 1 1 21 18 40 o 5.085000       1.155000      375.5516      164.9  
1 1 1 21 18 41 o 2.160000       1.207000      167.2516      -142.3 
1 1 1 21 18 42 o 2.747000       1.240000      89.15546      -137.4 
1 1 1 21 18 43 o 3.363000       1.260000      209.9979      -59.0  
1 1 1 21 18 44 o 2.559000       1.286000      214.6905      107.2  
1 1 1 21 18 45 o 6.300000       1.347000      387.3211      124.4  
1 1 1 21 18 46 o 3.406000       1.632000      200.1391      -47.2  
1 1 1 21 18 47 o -1.316000      1.481000      163.3825      -4.8   
1 1 1 21 18 48 o 1.592000       1.485000      67.61732      -91.8  
1 1 1 21 18 49 o 4.210000       1.526000      352.2354      151.6  
1 1 1 21 18 50 o -2.573000      1.678000      56.89426      -128.0 
1 1 1 21 18 51 o 1.518000       1.882000      ?             ?      
1 1 1 21 18 52 o 4.065000       1.444000      ?             ?      
1 1 1 21 18 53 o 0.7831000      1.270000      ?             ?      
1 1 1 21 18 54 o 1.806000       1.245000      ?             ?      
1 1 1 21 18 55 o -1.057000      1.217000      ?             ?      
1 1 1 21 18 56 o 0.3638000      1.240000      ?             ?      
1 1 1 21 18 57 o 1.754000       1.240000      ?             ?      
1 1 1 21 18 58 o -0.4566000     1.229000      ?             ?      
1 1 1 21 18 59 o 1.862000       1.254000      ?             ?      
1 1 1 21 18 60 o -0.3747000     1.235000      ?             ?      
1 1 1 21 18 61 o 0.4122000      1.252000      ?             ?      
1 1 1 21 18 62 o 2.679000       1.267000      ?             ?      
1 1 1 21 18 63 o 1.211000       1.258000      ?             ?      
1 1 1 21 18 64 o 0.1918000      1.516000      ?             ?      
1 1 1 21 18 65 o 0.5811000      1.845000      ?             ?      
1 1 1 21 18 66 o 1.415000       1.686000      ?             ?      
1 1 1 21 18 67 o -0.8257000     1.436000      ?             ?      
1 1 1 21 18 68 o -1.512000      2.152000      ?             ?      
1 1 1 21 19 0  o 7.686000       2.348000      400.4890      90.0   
1 1 1 21 19 1  f -0.5394000     1.105000      220.8457      164.9  
1 1 1 21 19 2  o -0.8519000     1.329000      89.07575      158.7  
1 1 1 21 19 3  o 9.665000       1.526000      402.7237      -21.9  
1 1 1 21 19 4  o 0.9603000      1.448000      101.7435      -59.2  
1 1 1 21 19 5  o 8.734000       2.023000      156.8595      169.3  
1 1 1 21 19 6  o 2.369000       1.294000      244.1999      -15.7  
1 1 1 21 19 7  o 1.302000       1.156000      267.6264      90.3   
1 1 1 21 19 8  o -2.006000      1.147000      125.2041      84.2   
1 1 1 21 19 9  o -0.8734000     1.359000      135.3678      -99.4  
1 1 1 21 19 10 o -3.187000      1.320000      123.2748      9.3    
1 1 1 21 19 11 o 0.6627000      1.165000      72.14231      6.9    
1 1 1 21 19 12 o -1.096000      1.166000      79.98802      -112.1 
1 1 1 21 19 13 o 2.752000       1.199000      288.1601      96.6   
1 1 1 21 19 14 o 0.3456000      1.210000      124.1366      36.7   
1 1 1 21 19 15 o 2.020000       1.242000      305.2081      -119.3 
1 1 1 21 19 16 o 0.3955000      1.390000      58.24507      -179.6 
1 1 1 21 19 17 o 2.385000       1.103000      325.5190      67.6   
1 1 1 21 19 18 o 8.149000       1.137000      459.3680      145.5  
1 1 1 21 19 19 o 1.713000       1.071000      6.649047      -37.0  
1 1 1 21 19 20 o 4.760000       1.101000      151.7158      24.0   
1 1 1 21 19 21 o 1.122000       1.068000      286.8441      -44.4  
1 1 1 21 19 22 o 0.7843000E-01  1.046000      177.1209      35.5   
1 1 1 21 19 23 o 0.7861000      1.023000      268.7258      -64.9  
1 1 1 21 19 24 o 2.109000       1.043000      346.4055      -2.5   
1 1 1 21 19 25 o 2.501000       1.006000      80.65605      -58.7  
1 1 1 21 19 26 o 3.741000       1.106000      340.3908      -102.8 
1 1 1 21 19 27 o 4.505000       1.124000      205.2563      -121.3 
1 1 1 21 19 28 o 5.042000       1.143000      297.5601      147.8  
1 1 1 21 19 29 o -0.5858000     1.275000      144.0469      -34.5  
1 1 1 21 19 30 o -0.6817000     1.185000      25.34080      36.3   
1 1 1 21 19 31 o 0.3938000      1.159000      168.9546      -175.6 
1 1 1 21 19 32 o 0.1678000      1.243000      142.8841      55.8   
1 1 1 21 19 33 o 2.430000       1.182000      255.7253      -134.1 
1 1 1 21 19 34 o 6.489000       1.111000      376.2946      49.7   
1 1 1 21 19 35 o 1.570000       1.061000      135.1285      -40.8  
1 1 1 21 19 36 o 0.6318000      1.058000      104.7923      -74.3  
1 1 1 21 19 37 o 0.1099000      1.077000      129.7251      73.4   
1 1 1 21 19 38 o -0.4381000E-01 1.093000      133.7772      -24.3  
1 1 1 21 19 39 o -0.8684000     1.099000      96.73182      56.7   
1 1 1 21 19 40 o 1.805000       1.161000      191.5449      -34.6  
1 1 1 21 19 41 o 2.352000       1.228000      163.2307      -17.6  
1 1 1 21 19 42 o 5.151000       1.263000      240.8225      -148.9 
1 1 1 21 19 43 o 2.547000       1.246000      135.2528      143.4  
1 1 1 21 19 44 o -0.1091000     1.324000      34.39949      55.2   
1 1 1 21 19 45 o 1.652000       1.302000      103.6011      99.8   
1 1 1 21 19 46 o -0.2247000     1.312000      150.4056      -62.1  
1 1 1 21 19 47 o -0.3477000     1.464000      169.4863      48.1   
1 1 1 21 19 48 o 1.310000       1.611000      60.83681      13.4   
1 1 1 21 19 49 o -0.1986000     1.639000      174.7607      22.8   
1 1 1 21 19 50 o -4.621000      1.688000      88.20724      -69.6  
1 1 1 21 19 51 o -1.223000      1.676000      ?             ?      
1 1 1 21 19 52 o -1.348000      1.394000      ?             ?      
1 1 1 21 19 53 o 1.389000       1.387000      ?             ?      
1 1 1 21 19 54 o 0.5310000E-01  1.229000      ?             ?      
1 1 1 21 19 55 o -0.3991000     1.227000      ?             ?      
1 1 1 21 19 56 o 0.9277000      1.251000      ?             ?      
1 1 1 21 19 57 o 2.409000       1.250000      ?             ?      
1 1 1 21 19 58 o 0.2047000      1.227000      ?             ?      
1 1 1 21 19 59 o 0.2552000      1.236000      ?             ?      
1 1 1 21 19 60 o 0.7108000      1.242000      ?             ?      
1 1 1 21 19 61 o 2.726000       1.266000      ?             ?      
1 1 1 21 19 62 o 1.955000       1.266000      ?             ?      
1 1 1 21 19 63 o 0.2513000      1.263000      ?             ?      
1 1 1 21 19 64 o -2.535000      1.422000      ?             ?      
1 1 1 21 19 65 f -2.484000      1.968000      ?             ?      
1 1 1 21 19 66 o 1.275000       1.670000      ?             ?      
1 1 1 21 19 67 o -0.3525000E-01 1.793000      ?             ?      
1 1 1 21 19 68 o 3.066000       1.555000      ?             ?      
1 1 1 21 20 0  o 0.7782000      2.081000      135.1511      90.0   
1 1 1 21 20 1  o 0.2313000      1.332000      293.8506      159.9  
1 1 1 21 20 2  o 3.310000       1.101000      392.5219      55.1   
1 1 1 21 20 3  o -1.114000      1.156000      86.69326      50.8   
1 1 1 21 20 4  o -2.371000      1.138000      143.8802      60.1   
1 1 1 21 20 5  o 1.006000       1.161000      177.1451      -80.3  
1 1 1 21 20 6  o -0.7374000     1.115000      62.97161      146.8  
1 1 1 21 20 7  o -0.5069000     1.098000      97.17138      124.1  
1 1 1 21 20 8  o 0.3768000      1.342000      192.0549      -100.5 
1 1 1 21 20 9  o 2.707000       1.403000      252.1257      31.8   
1 1 1 21 20 10 o -0.4574000     1.334000      98.40088      -141.8 
1 1 1 21 20 11 o -2.281000      1.121000      163.4044      99.3   
1 1 1 21 20 12 o 2.150000       1.118000      133.1571      -168.5 
1 1 1 21 20 13 o -1.331000      1.101000      116.9511      -7.9   
1 1 1 21 20 14 o -2.503000      1.187000      50.14825      -153.9 
1 1 1 21 20 15 o 0.6330000      1.205000      102.3727      126.6  
1 1 1 21 20 16 o -1.048000      1.318000      180.5801      -29.3  
1 1 1 21 20 17 o 5.510000       1.408000      113.1173      -86.9  
1 1 1 21 20 18 o 0.5670000      1.083000      150.5058      -160.4 
1 1 1 21 20 19 o 2.897000       1.080000      188.3094      -106.6 
1 1 1 21 20 20 o -0.2224000     1.060000      280.9677      110.5  
1 1 1 21 20 21 o -0.6645000E-01 1.053000      144.6924      171.6  
1 1 1 21 20 22 o -0.9451000     1.028000      33.87576      -81.8  
1 1 1 21 20 23 o -0.9328000     1.022000      169.2551      -0.4   
1 1 1 21 20 24 o -1.600000      1.023000      160.5706      8.8    
1 1 1 21 20 25 o 4.679000       1.024000      217.6835      -166.4 
1 1 1 21 20 26 o -0.5450000     1.013000      71.72661      -88.5  
1 1 1 21 20 27 o 0.2261000      1.101000      21.11462      157.3  
1 1 1 21 20 28 o 1.266000       1.096000      43.13451      -179.9 
1 1 1 21 20 29 o 1.539000       1.284000      91.03372      127.2  
1 1 1 21 20 30 o -1.570000      1.386000      44.88076      -171.0 
1 1 1 21 20 31 o 0.9247000      1.438000      132.9316      -47.6  
1 1 1 21 20 32 o 0.2988000      1.238000      50.94277      47.4   
1 1 1 21 20 33 o 1.815000       1.132000      101.8703      163.6  
1 1 1 21 20 34 o 1.201000       1.071000      138.8397      14.9   
1 1 1 21 20 35 o 1.188000       1.074000      78.13111      114.1  
1 1 1 21 20 36 o 0.3890000      1.069000      114.9180      -178.9 
1 1 1 21 20 37 o 1.084000       1.091000      177.7633      -61.5  
1 1 1 21 20 38 o 1.710000       1.120000      18.58641      163.0  
1 1 1 21 20 39 o 3.966000       1.134000      155.3344      129.1  
1 1 1 21 20 40 o 2.281000       1.173000      261.4337      116.6  
1 1 1 21 20 41 o 1.089000       1.340000      25.44137      -65.8  
1 1 1 21 20 42 o -0.7782000E-01 1.226000      83.43806      75.1   
1 1 1 21 20 43 o -1.125000      1.238000      75.21228      -37.7  
1 1 1 21 20 44 o -2.716000      1.253000      66.14399      180.0  
1 1 1 21 20 45 o 0.7427000      1.308000      148.6989      -146.4 
1 1 1 21 20 46 o -0.2137000     1.320000      93.10519      -28.8  
1 1 1 21 20 47 o 1.497000       1.492000      118.1057      120.5  
1 1 1 21 20 48 o -1.227000      1.597000      94.03778      160.0  
1 1 1 21 20 49 o 0.6124000      1.647000      139.1576      97.2   
1 1 1 21 20 50 o 1.009000       1.470000      ?             ?      
1 1 1 21 20 51 o 1.268000       1.416000      ?             ?      
1 1 1 21 20 52 o 1.615000       1.491000      ?             ?      
1 1 1 21 20 53 o -0.7843000     1.357000      ?             ?      
1 1 1 21 20 54 o 1.009000       1.234000      ?             ?      
1 1 1 21 20 55 o -0.4078000     1.224000      ?             ?      
1 1 1 21 20 56 o 1.970000       1.246000      ?             ?      
1 1 1 21 20 57 o -3.621000      1.225000      ?             ?      
1 1 1 21 20 58 o 0.3989000      1.212000      ?             ?      
1 1 1 21 20 59 o -1.797000      1.220000      ?             ?      
1 1 1 21 20 60 o -0.1514000     1.228000      ?             ?      
1 1 1 21 20 61 o 3.428000       1.256000      ?             ?      
1 1 1 21 20 62 o -0.8980000     1.237000      ?             ?      
1 1 1 21 20 63 o -0.5544000     1.258000      ?             ?      
1 1 1 21 20 64 o -0.3752000E-01 1.440000      ?             ?      
1 1 1 21 20 65 f 0.5261000      1.678000      ?             ?      
1 1 1 21 20 66 o -2.197000      1.839000      ?             ?      
1 1 1 21 20 67 o 0.3399000      1.532000      ?             ?      
1 1 1 21 21 1  o 3.245000       1.125000      185.0266      165.5  
1 1 1 21 21 2  o -0.2717000E-01 1.114000      160.7081      -19.6  
1 1 1 21 21 3  o 0.4138000      1.139000      29.62184      -180.0 
1 1 1 21 21 4  o -1.140000      1.005000      11.15212      14.8   
1 1 1 21 21 5  o 0.3977000      1.110000      151.7086      -126.0 
1 1 1 21 21 6  o -2.545000      1.361000      305.2477      25.0   
1 1 1 21 21 7  o -2.752000      1.304000      31.37306      18.6   
1 1 1 21 21 8  o 1.536000       1.335000      42.68825      -175.8 
1 1 1 21 21 9  o 1.991000       1.331000      138.4926      -37.9  
1 1 1 21 21 10 o -2.755000      1.285000      178.2482      85.0   
1 1 1 21 21 11 o -0.9842000     1.267000      90.63213      147.3  
1 1 1 21 21 12 o -1.164000      1.309000      125.7431      126.3  
1 1 1 21 21 13 o -0.3774000E-01 1.124000      120.2730      14.4   
1 1 1 21 21 14 f -0.5579000     1.107000      131.6364      -155.6 
1 1 1 21 21 15 o 1.196000       1.179000      109.5113      -125.9 
1 1 1 21 21 16 o 0.2130000      1.260000      61.02254      -44.2  
1 1 1 21 21 17 o -1.492000      1.247000      165.7871      82.6   
1 1 1 21 21 18 o -0.1085000     1.089000      59.39493      -40.1  
1 1 1 21 21 19 o -0.6494000E-02 1.065000      113.6688      -178.3 
1 1 1 21 21 20 o -0.7534000E-01 1.046000      101.7847      -48.5  
1 1 1 21 21 21 o -0.7541000E-01 1.064000      74.56393      -70.3  
1 1 1 21 21 22 o -1.613000      1.047000      5.433500      61.1   
1 1 1 21 21 23 o -0.8183000     1.027000      80.84335      -111.2 
1 1 1 21 21 24 o 0.7084000      1.038000      65.66309      -134.4 
1 1 1 21 21 25 o -1.055000      0.9758000     161.3691      -125.0 
1 1 1 21 21 26 o 0.5907000      0.9933000     148.4051      -150.9 
1 1 1 21 21 27 o -0.4064000     1.009000      94.34494      89.0   
1 1 1 21 21 28 o 1.916000       1.102000      108.5089      -169.6 
1 1 1 21 21 29 o 0.8544000      1.159000      11.71767      168.9  
1 1 1 21 21 30 o -1.156000      1.493000      121.1506      83.1   
1 1 1 21 21 31 o -0.1693000     1.336000      102.4075      -152.3 
1 1 1 21 21 32 o 1.629000       1.448000      62.94961      -132.4 
1 1 1 21 21 33 o 0.3671000      1.095000      154.3063      132.6  
1 1 1 21 21 34 o -0.5403000     1.102000      74.92262      -65.5  
1 1 1 21 21 35 o -0.6701000     1.074000      140.2190      -99.6  
1 1 1 21 21 36 o 1.032000       1.090000      42.52333      -169.8 
1 1 1 21 21 37 o 0.2384000      1.109000      165.0520      42.8   
1 1 1 21 21 38 o 0.9441000      1.127000      78.31242      -23.8  
1 1 1 21 21 39 o -1.801000      1.149000      131.4515      -138.3 
1 1 1 21 21 40 o 2.713000       1.201000      77.48489      -104.3 
1 1 1 21 21 41 o 1.820000       1.203000      35.68758      -167.6 
1 1 1 21 21 42 o 1.843000       1.229000      108.0953      -163.6 
1 1 1 21 21 43 o -1.715000      1.226000      63.69661      30.6   
1 1 1 21 21 44 o -0.2597000     1.247000      58.05949      59.9   
1 1 1 21 21 45 o -0.6680000     1.317000      39.40717      -19.3  
1 1 1 21 21 46 o 1.689000       1.319000      107.5308      -62.1  
1 1 1 21 21 47 o -0.7301000     1.333000      137.4451      -148.0 
1 1 1 21 21 48 o -1.449000      1.667000      63.31498      -39.6  
1 1 1 21 21 49 o -2.396000      2.315000      73.21744      146.3  
1 1 1 21 21 50 o -0.3703000     1.633000      ?             ?      
1 1 1 21 21 51 o -1.858000      1.271000      ?             ?      
1 1 1 21 21 52 o 3.661000       1.409000      ?             ?      
1 1 1 21 21 53 o -0.7215000E-01 1.448000      ?             ?      
1 1 1 21 21 54 o 0.1903000      1.440000      ?             ?      
1 1 1 21 21 55 o -1.144000      1.222000      ?             ?      
1 1 1 21 21 56 o 0.7062000      1.228000      ?             ?      
1 1 1 21 21 57 o 0.5610000E-01  1.206000      ?             ?      
1 1 1 21 21 58 o 3.994000       1.247000      ?             ?      
1 1 1 21 21 59 o -1.199000      1.226000      ?             ?      
1 1 1 21 21 60 o 0.2055000      1.224000      ?             ?      
1 1 1 21 21 61 o 1.650000       1.231000      ?             ?      
1 1 1 21 21 62 o -1.967000      1.244000      ?             ?      
1 1 1 21 21 63 o -0.6660000     1.415000      ?             ?      
1 1 1 21 21 64 o -1.840000      1.975000      ?             ?      
1 1 1 21 21 65 o -1.371000      2.352000      ?             ?      
1 1 1 21 21 66 o 1.245000       1.762000      ?             ?      
1 1 1 21 21 67 o -1.246000      1.434000      ?             ?      
1 1 1 21 22 0  o -0.9534000     1.596000      26.61975      90.0   
1 1 1 21 22 1  o -2.523000      1.105000      125.7404      100.9  
1 1 1 21 22 2  o -3.537000      1.262000      64.22580      -141.2 
1 1 1 21 22 3  o 0.9684000      1.147000      177.4581      -135.2 
1 1 1 21 22 4  o -0.1638000     1.017000      218.7230      -125.0 
1 1 1 21 22 5  o 0.3400000E-01  1.134000      147.5329      -90.1  
1 1 1 21 22 6  o 1.498000       1.128000      154.4347      -168.3 
1 1 1 21 22 7  o 0.4070000      1.270000      129.8152      42.8   
1 1 1 21 22 8  o -2.454000      2.497000      105.8630      89.7   
1 1 1 21 22 9  o -2.399000      1.901000      27.81867      -164.4 
1 1 1 21 22 10 o -1.147000      1.305000      125.6705      2.8    
1 1 1 21 22 11 o -0.1604000     1.051000      132.4586      101.4  
1 1 1 21 22 12 o -1.481000      1.087000      205.3780      165.9  
1 1 1 21 22 13 o -2.435000      1.092000      67.35049      -141.9 
1 1 1 21 22 14 o 1.017000       1.283000      147.0437      -30.6  
1 1 1 21 22 15 o -1.711000      1.409000      17.25801      2.5    
1 1 1 21 22 16 o -0.5538000     1.245000      115.5924      -51.9  
1 1 1 21 22 17 o 0.3206000      1.223000      85.32774      -53.0  
1 1 1 21 22 18 o -2.562000      1.243000      64.27934      -94.3  
1 1 1 21 22 19 o -2.123000      1.081000      58.77750      -80.1  
1 1 1 21 22 20 o 0.8943000      1.082000      112.9784      158.5  
1 1 1 21 22 21 o 0.6009000      1.090000      146.1125      0.6    
1 1 1 21 22 22 o 0.3371000      1.069000      130.6407      19.0   
1 1 1 21 22 23 o 0.3609000      1.023000      108.2402      34.0   
1 1 1 21 22 24 o 0.1579000      1.046000      41.48877      -23.3  
1 1 1 21 22 25 o -1.159000      1.035000      133.0964      162.8  
1 1 1 21 22 26 o -1.120000      0.9582000     95.07277      70.1   
1 1 1 21 22 27 o 0.5386000      0.9776000     106.4087      -14.9  
1 1 1 21 22 28 o -2.713000      1.080000      125.2948      -86.6  
1 1 1 21 22 29 o 0.6000000      1.154000      148.4542      122.9  
1 1 1 21 22 30 o 1.051000       1.604000      128.1151      164.9  
1 1 1 21 22 31 o 1.494000       1.510000      167.9144      -53.2  
1 1 1 21 22 32 o -2.347000      1.406000      49.29689      -27.6  
1 1 1 21 22 33 o 1.186000       1.095000      29.89164      159.7  
1 1 1 21 22 34 o 1.740000       1.105000      130.9616      37.5   
1 1 1 21 22 35 o 0.3319000      1.090000      107.4834      149.1  
1 1 1 21 22 36 o 1.223000       1.096000      122.4401      164.7  
1 1 1 21 22 37 o -1.499000      1.112000      103.7612      -21.8  
1 1 1 21 22 38 o -0.5289000     1.135000      100.4126      122.0  
1 1 1 21 22 39 o 0.8517000      1.178000      93.04391      95.6   
1 1 1 21 22 40 o 1.935000       1.225000      168.0871      83.1   
1 1 1 21 22 41 o 0.4591000      1.213000      72.55365      -124.4 
1 1 1 21 22 42 o 0.1773000      1.231000      117.4292      -163.0 
1 1 1 21 22 43 o 0.5573000      1.227000      117.2399      -64.4  
1 1 1 21 22 44 o -0.8306000     1.239000      78.63200      -73.6  
1 1 1 21 22 45 o -0.1256000     1.287000      91.48010      -86.7  
1 1 1 21 22 46 o 1.419000       1.300000      67.82857      17.7   
1 1 1 21 22 47 o 1.039000       1.360000      98.41352      102.1  
1 1 1 21 22 48 o 1.337000       1.673000      48.54153      -119.3 
1 1 1 21 22 49 o 2.049000       1.892000      ?             ?      
1 1 1 21 22 50 o 0.5352000      1.403000      ?             ?      
1 1 1 21 22 51 o 2.503000       1.273000      ?             ?      
1 1 1 21 22 52 o 0.5877000      1.357000      ?             ?      
1 1 1 21 22 53 o 2.793000       1.445000      ?             ?      
1 1 1 21 22 54 o 1.485000       1.318000      ?             ?      
1 1 1 21 22 55 o 3.994000       1.231000      ?             ?      
1 1 1 21 22 56 o 1.500000       1.220000      ?             ?      
1 1 1 21 22 57 o 2.012000       1.214000      ?             ?      
1 1 1 21 22 58 o 2.207000       1.214000      ?             ?      
1 1 1 21 22 59 o 1.536000       1.228000      ?             ?      
1 1 1 21 22 60 o -1.330000      1.223000      ?             ?      
1 1 1 21 22 61 o 1.026000       1.231000      ?             ?      
1 1 1 21 22 62 o -0.1469000E-01 1.259000      ?             ?      
1 1 1 21 22 63 o -1.445000      1.568000      ?             ?      
1 1 1 21 22 64 o 1.934000       1.658000      ?             ?      
1 1 1 21 22 65 o 0.1368000      1.407000      ?             ?      
1 1 1 21 22 66 o 0.7577000      1.468000      ?             ?      
1 1 1 21 22 67 o 2.342000       1.769000      ?             ?      
1 1 1 21 23 1  o 1.794000       1.300000      88.50652      3.2    
1 1 1 21 23 2  o -3.205000      1.273000      104.7843      25.0   
1 1 1 21 23 3  o -1.774000      1.192000      93.43275      -3.6   
1 1 1 21 23 4  o 0.9944000      1.035000      189.0508      -31.5  
1 1 1 21 23 5  o -0.7241000E-01 1.014000      127.3275      -29.2  
1 1 1 21 23 6  o -0.7899000     1.097000      76.47363      85.1   
1 1 1 21 23 7  o -0.7315000     1.241000      216.4793      -90.9  
1 1 1 21 23 8  o 1.094000       1.314000      109.8604      100.8  
1 1 1 21 23 9  o 1.658000       1.311000      262.4765      32.6   
1 1 1 21 23 10 o 0.4174000      1.060000      253.1158      177.7  
1 1 1 21 23 11 o -0.3808000     1.271000      222.1343      -90.6  
1 1 1 21 23 12 o 0.8696000      1.270000      61.61841      -95.2  
1 1 1 21 23 13 o -0.5441000     1.087000      107.3479      117.2  
1 1 1 21 23 14 o -3.053000      1.074000      119.5061      -86.3  
1 1 1 21 23 15 o -0.9892000     1.113000      208.9479      48.1   
1 1 1 21 23 16 o -0.2801000     1.272000      227.2072      170.0  
1 1 1 21 23 17 o -1.505000      1.620000      49.61390      -64.2  
1 1 1 21 23 18 o 0.5954000      1.715000      54.04012      -42.5  
1 1 1 21 23 19 o 1.998000       1.282000      103.7093      -30.9  
1 1 1 21 23 20 o 0.3135000      1.078000      47.58817      131.4  
1 1 1 21 23 21 o 0.1422000      1.144000      108.3071      18.5   
1 1 1 21 23 22 o -0.1739000     1.088000      104.6772      79.8   
1 1 1 21 23 23 o -0.6080000     1.015000      146.9305      70.2   
1 1 1 21 23 24 o 0.6210000E-01  1.025000      67.81153      -148.7 
1 1 1 21 23 25 o 2.777000       1.058000      130.4888      88.2   
1 1 1 21 23 26 o -0.5802000     0.9817000     125.3333      -157.4 
1 1 1 21 23 27 o -1.597000      0.9743000     142.2609      -90.6  
1 1 1 21 23 28 o 2.628000       1.072000      80.94996      -122.7 
1 1 1 21 23 29 o 3.069000       1.205000      148.5287      -22.7  
1 1 1 21 23 30 o -0.2734000     1.336000      185.9432      33.4   
1 1 1 21 23 31 o -2.118000      1.463000      31.70066      144.1  
1 1 1 21 23 32 o 2.448000       1.422000      249.4002      -164.9 
1 1 1 21 23 33 o 0.4515000      1.246000      190.5130      -121.1 
1 1 1 21 23 34 o 1.425000       1.170000      251.1542      -42.2  
1 1 1 21 23 35 o -1.027000      1.086000      44.31076      -80.0  
1 1 1 21 23 36 o 0.7618000E-01  1.129000      177.1779      64.9   
1 1 1 21 23 37 o 2.050000       1.136000      175.5689      137.0  
1 1 1 21 23 38 o 0.8095000      1.164000      143.7342      -149.4 
1 1 1 21 23 39 o 2.034000       1.185000      157.0875      -95.8  
1 1 1 21 23 40 o 1.438000       1.207000      183.2388      52.6   
1 1 1 21 23 41 o -0.3126000     1.220000      40.62250      32.6   
1 1 1 21 23 42 o -2.145000      1.375000      87.86466      28.7   
1 1 1 21 23 43 o 1.796000       1.234000      144.4454      -89.6  
1 1 1 21 23 44 o 0.8718000      1.247000      10.31749      97.8   
1 1 1 21 23 45 o -1.432000      1.266000      35.52829      -125.7 
1 1 1 21 23 46 o 1.508000       1.293000      131.3392      59.4   
1 1 1 21 23 47 o -0.2741000     1.412000      143.0213      -56.6  
1 1 1 21 23 48 o 0.5082000      1.847000      61.51566      42.3   
1 1 1 21 23 49 o -0.2412000     1.709000      ?             ?      
1 1 1 21 23 50 o 0.9672000E-01  1.401000      ?             ?      
1 1 1 21 23 51 o -1.180000      1.370000      ?             ?      
1 1 1 21 23 52 o 0.9023000      1.230000      ?             ?      
1 1 1 21 23 53 o -1.440000      1.336000      ?             ?      
1 1 1 21 23 54 o -1.009000      1.439000      ?             ?      
1 1 1 21 23 55 o 1.178000       1.332000      ?             ?      
1 1 1 21 23 56 o 0.6015000      1.199000      ?             ?      
1 1 1 21 23 57 o 0.3659000      1.211000      ?             ?      
1 1 1 21 23 58 o 0.6241000      1.210000      ?             ?      
1 1 1 21 23 59 o -0.3491000     1.218000      ?             ?      
1 1 1 21 23 60 o -0.4009000     1.240000      ?             ?      
1 1 1 21 23 61 o -1.168000      1.350000      ?             ?      
1 1 1 21 23 62 o -0.2800000     1.598000      ?             ?      
1 1 1 21 23 63 o -0.7087000     2.127000      ?             ?      
1 1 1 21 23 64 o -1.325000      1.908000      ?             ?      
1 1 1 21 23 65 o -1.257000      1.272000      ?             ?      
1 1 1 21 23 66 o 3.067000       1.583000      ?             ?      
1 1 1 21 24 0  o 0.8012000      2.048000      65.45765      90.0   
1 1 1 21 24 1  o -0.5683000     1.276000      159.6241      145.5  
1 1 1 21 24 2  o 1.958000       1.253000      127.5428      -163.6 
1 1 1 21 24 3  o 1.255000       1.149000      87.99751      164.0  
1 1 1 21 24 4  o -0.2119000     1.165000      125.7882      177.9  
1 1 1 21 24 5  o -0.5735000     1.002000      196.4821      -148.4 
1 1 1 21 24 6  o 7.189000       1.139000      363.4307      138.4  
1 1 1 21 24 7  o 0.4255000      1.363000      19.74348      -15.2  
1 1 1 21 24 8  o 0.1865000      1.344000      66.89825      83.3   
1 1 1 21 24 9  o 1.982000       1.086000      133.2111      -31.0  
1 1 1 21 24 10 o 2.512000       1.072000      231.0275      72.0   
1 1 1 21 24 11 o 1.277000       1.084000      275.2727      -173.0 
1 1 1 21 24 12 o -1.945000      1.066000      71.82000      25.0   
1 1 1 21 24 13 o 1.573000       1.087000      177.6464      -33.0  
1 1 1 21 24 14 o 4.555000       1.491000      418.2020      -178.4 
1 1 1 21 24 15 o -1.252000      1.385000      99.09662      -29.5  
1 1 1 21 24 16 o 0.5745000      1.253000      246.7671      -142.3 
1 1 1 21 24 17 o 0.6768000      1.216000      203.5954      -5.0   
1 1 1 21 24 18 o 0.4606000      1.232000      224.5282      42.4   
1 1 1 21 24 19 o 2.705000       1.337000      148.8795      -139.0 
1 1 1 21 24 20 o 0.9641000      1.705000      138.8464      64.8   
1 1 1 21 24 21 o 1.307000       1.099000      116.6629      -112.6 
1 1 1 21 24 22 o 2.423000       1.092000      46.92863      90.9   
1 1 1 21 24 23 o -0.7062000     1.086000      140.4512      -102.4 
1 1 1 21 24 24 o 0.4435000      1.070000      194.6028      -116.4 
1 1 1 21 24 25 o -1.630000      1.043000      92.18537      84.7   
1 1 1 21 24 26 o 0.2799000      1.000000      154.3351      -2.2   
1 1 1 21 24 27 o -0.4375000     0.9898000     121.0692      -11.7  
1 1 1 21 24 28 o 0.4648000      1.041000      51.97525      100.1  
1 1 1 21 24 29 o 0.9258000      1.181000      116.7089      173.6  
1 1 1 21 24 30 o 0.4038000      1.360000      56.47337      -12.2  
1 1 1 21 24 31 o -0.2565000     1.174000      192.7849      -129.6 
1 1 1 21 24 32 o -0.4490000     1.307000      94.64089      -1.1   
1 1 1 21 24 33 o 2.710000       1.219000      277.0389      50.8   
1 1 1 21 24 34 o 2.782000       1.218000      112.9421      -42.0  
1 1 1 21 24 35 o 4.009000       1.125000      293.2991      -160.1 
1 1 1 21 24 36 o 1.157000       1.117000      107.8913      -139.0 
1 1 1 21 24 37 o 0.2524000      1.132000      175.6580      57.2   
1 1 1 21 24 38 o 1.170000       1.151000      133.2197      179.3  
1 1 1 21 24 39 o 1.533000       1.165000      133.2038      95.9   
1 1 1 21 24 40 o 1.495000       1.192000      273.0430      75.1   
1 1 1 21 24 41 o 1.259000       1.214000      113.2083      -27.7  
1 1 1 21 24 42 o 0.4667000      1.224000      186.0589      -67.0  
1 1 1 21 24 43 o 0.7904000      1.243000      113.1708      93.0   
1 1 1 21 24 44 o 3.166000       1.272000      147.9208      -68.8  
1 1 1 21 24 45 o 3.907000       1.305000      254.8548      -130.2 
1 1 1 21 24 46 o -0.7878000E-01 1.329000      118.1742      105.3  
1 1 1 21 24 47 o 1.695000       1.434000      118.6538      166.3  
1 1 1 21 24 48 o -0.1541000     1.421000      ?             ?      
1 1 1 21 24 49 o -1.202000      1.587000      ?             ?      
1 1 1 21 24 50 o 2.794000       1.562000      ?             ?      
1 1 1 21 24 51 o 3.097000       1.366000      ?             ?      
1 1 1 21 24 52 o 1.081000       1.231000      ?             ?      
1 1 1 21 24 53 o 0.6429000      1.348000      ?             ?      
1 1 1 21 24 54 o 3.068000       1.474000      ?             ?      
1 1 1 21 24 55 o 0.3739000      1.333000      ?             ?      
1 1 1 21 24 56 o -1.811000      1.199000      ?             ?      
1 1 1 21 24 57 o 0.2551000      1.203000      ?             ?      
1 1 1 21 24 58 o 1.467000       1.224000      ?             ?      
1 1 1 21 24 59 o 0.1654000      1.327000      ?             ?      
1 1 1 21 24 60 o -3.004000      1.344000      ?             ?      
1 1 1 21 24 61 o 0.9256000      1.366000      ?             ?      
1 1 1 21 24 62 o 0.8276000      1.417000      ?             ?      
1 1 1 21 24 63 o 1.577000       1.431000      ?             ?      
1 1 1 21 24 64 f 2.909000       1.413000      ?             ?      
1 1 1 21 24 65 o 0.2819000      1.414000      ?             ?      
1 1 1 21 24 66 o 0.9626000      1.798000      ?             ?      
1 1 1 21 25 0  o 2.139000       1.962000      338.5976      90.0   
1 1 1 21 25 1  o 1.205000       1.285000      164.7223      -142.7 
1 1 1 21 25 2  o -1.401000      1.158000      146.5534      49.9   
1 1 1 21 25 3  o 0.5211000      1.111000      43.08072      49.6   
1 1 1 21 25 4  o 0.6352000      1.006000      191.0621      -99.4  
1 1 1 21 25 5  o 8.488000       1.035000      562.3693      -177.5 
1 1 1 21 25 6  o 0.3366000      1.246000      140.5471      63.4   
1 1 1 21 25 7  o 7.592000       1.348000      473.8348      100.6  
1 1 1 21 25 8  o 2.125000       1.311000      348.0728      35.6   
1 1 1 21 25 9  o 0.5038000      1.075000      292.9731      -121.0 
1 1 1 21 25 10 o 0.9636000      1.117000      393.4723      -116.9 
1 1 1 21 25 11 o -0.4021000     1.071000      142.2419      -79.8  
1 1 1 21 25 12 o 3.368000       1.122000      215.7524      79.3   
1 1 1 21 25 13 o 0.8497000      1.162000      173.8190      -75.4  
1 1 1 21 25 14 o 3.164000       1.168000      236.3446      -62.2  
1 1 1 21 25 15 o 5.449000       1.256000      315.7299      -0.4   
1 1 1 21 25 16 o 2.815000       1.258000      259.5013      88.9   
1 1 1 21 25 17 o 1.286000       1.695000      82.54778      -1.3   
1 1 1 21 25 18 o 1.287000       1.641000      192.8811      27.1   
1 1 1 21 25 19 o -0.6522000     1.280000      43.20457      63.1   
1 1 1 21 25 20 o 0.7011000      1.310000      194.5131      82.8   
1 1 1 21 25 21 o 0.7388000      1.366000      262.8233      86.8   
1 1 1 21 25 22 o 3.030000       1.231000      268.8969      45.1   
1 1 1 21 25 23 o 1.292000       1.237000      67.09489      41.4   
1 1 1 21 25 24 o 4.769000       1.092000      253.5437      -95.7  
1 1 1 21 25 25 o 7.339000       1.100000      401.3322      47.4   
1 1 1 21 25 26 o 0.6289000      1.044000      39.81529      31.6   
1 1 1 21 25 27 o 1.581000       1.089000      76.68814      -129.6 
1 1 1 21 25 28 o 3.989000       1.091000      207.7564      -156.1 
1 1 1 21 25 29 o 0.7347000      1.055000      158.2055      1.6    
1 1 1 21 25 30 o 2.109000       1.153000      217.0912      -66.1  
1 1 1 21 25 31 o 8.381000       1.220000      458.8893      -174.3 
1 1 1 21 25 32 o 0.7328000      1.215000      129.7400      164.5  
1 1 1 21 25 33 o -1.121000      1.159000      66.06163      -171.7 
1 1 1 21 25 34 o 3.264000       1.212000      269.1804      9.7    
1 1 1 21 25 35 o 4.090000       1.147000      293.5544      -27.3  
1 1 1 21 25 36 o 1.714000       1.140000      184.8661      135.5  
1 1 1 21 25 37 o 1.610000       1.159000      185.1774      156.4  
1 1 1 21 25 38 o 5.182000       1.188000      189.8033      129.6  
1 1 1 21 25 39 o 0.3799000      1.168000      96.93783      -11.5  
1 1 1 21 25 40 o 4.700000       1.199000      216.7165      53.4   
1 1 1 21 25 41 o 1.035000       1.281000      215.1126      79.9   
1 1 1 21 25 42 o 0.4735000      1.250000      179.2051      -149.2 
1 1 1 21 25 43 o 1.062000       1.263000      103.2937      -92.8  
1 1 1 21 25 44 o 1.096000       1.283000      192.5065      165.2  
1 1 1 21 25 45 o -1.991000      1.403000      145.7271      70.7   
1 1 1 21 25 46 o -0.3930000     1.369000      135.1257      -72.7  
1 1 1 21 25 47 o -0.2570000     1.791000      ?             ?      
1 1 1 21 25 48 o 2.359000       1.391000      ?             ?      
1 1 1 21 25 49 o -0.1464000     1.427000      ?             ?      
1 1 1 21 25 50 o 4.907000       1.549000      ?             ?      
1 1 1 21 25 51 o 4.293000       1.378000      ?             ?      
1 1 1 21 25 52 o 1.799000       1.244000      ?             ?      
1 1 1 21 25 53 o 4.317000       1.243000      ?             ?      
1 1 1 21 25 54 o -1.369000      1.321000      ?             ?      
1 1 1 21 25 55 o -0.4011000     1.415000      ?             ?      
1 1 1 21 25 56 o 0.3341000      1.321000      ?             ?      
1 1 1 21 25 57 o 2.704000       1.331000      ?             ?      
1 1 1 21 25 58 o 0.6063000      1.332000      ?             ?      
1 1 1 21 25 59 o -2.069000      1.328000      ?             ?      
1 1 1 21 25 60 o 1.219000       1.258000      ?             ?      
1 1 1 21 25 61 o 4.286000       1.448000      ?             ?      
1 1 1 21 25 62 o -2.857000      2.050000      ?             ?      
1 1 1 21 25 63 o -0.7964000E-01 1.902000      ?             ?      
1 1 1 21 25 64 o -1.266000      1.421000      ?             ?      
1 1 1 21 25 65 o 1.640000       1.774000      ?             ?      
1 1 1 21 26 0  o 1.971000       2.060000      59.88268      90.0   
1 1 1 21 26 1  o -0.2667000     1.251000      148.7590      -87.1  
1 1 1 21 26 2  o 1.194000       1.153000      221.4052      152.6  
1 1 1 21 26 3  o 0.8943000      0.9810000     23.17708      -51.1  
1 1 1 21 26 4  o 13.98000       1.163000      525.1318      -121.6 
1 1 1 21 26 5  o 1.729000       1.053000      307.1068      155.0  
1 1 1 21 26 6  o 5.095000       1.270000      255.2813      -121.8 
1 1 1 21 26 7  o 5.533000       1.318000      387.6078      28.1   
1 1 1 21 26 8  o 1.938000       1.293000      33.24080      103.4  
1 1 1 21 26 9  f -1.472000      1.075000      121.6017      167.1  
1 1 1 21 26 10 o 10.70000       1.135000      356.7866      -178.6 
1 1 1 21 26 11 o 12.05000       1.185000      372.2027      -15.4  
1 1 1 21 26 12 o 3.203000       1.108000      362.1649      36.7   
1 1 1 21 26 13 o 2.425000       1.112000      216.5252      -81.8  
1 1 1 21 26 14 o 16.70000       1.217000      598.8060      164.8  
1 1 1 21 26 15 o 1.675000       1.119000      135.9440      45.0   
1 1 1 21 26 16 o 17.04000       1.399000      660.6833      141.3  
1 1 1 21 26 17 o 12.24000       1.349000      409.2607      -149.6 
1 1 1 21 26 18 o 14.53000       1.361000      610.4047      -153.3 
1 1 1 21 26 19 o 3.919000       1.310000      321.2221      -7.4   
1 1 1 21 26 20 o -0.4408000     1.730000      177.2617      -107.2 
1 1 1 21 26 21 o 14.81000       1.872000      496.1005      175.7  
1 1 1 21 26 22 o 0.9378000      1.383000      209.9182      -83.4  
1 1 1 21 26 23 o 0.3123000      1.093000      162.2533      4.1    
1 1 1 21 26 24 o 3.280000       1.072000      145.1983      119.0  
1 1 1 21 26 25 o 2.093000       1.154000      80.14746      173.7  
1 1 1 21 26 26 o 7.329000       1.161000      376.6625      -121.4 
1 1 1 21 26 27 o 1.340000       1.032000      167.3290      -53.6  
1 1 1 21 26 28 o 2.927000       1.085000      196.0202      -59.7  
1 1 1 21 26 29 o 1.215000       1.105000      155.6650      -56.7  
1 1 1 21 26 30 o -0.8220000     1.053000      183.8989      143.7  
1 1 1 21 26 31 o 0.6298000      1.081000      203.3037      -122.9 
1 1 1 21 26 32 o 0.1867000E-01  1.093000      100.5418      56.6   
1 1 1 21 26 33 o 6.012000       1.293000      280.3121      127.6  
1 1 1 21 26 34 o 3.918000       1.190000      295.9434      -89.4  
1 1 1 21 26 35 o 3.385000       1.235000      190.1514      155.5  
1 1 1 21 26 36 o 1.240000       1.111000      190.9124      24.9   
1 1 1 21 26 37 o 24.15000       1.397000      630.8216      158.3  
1 1 1 21 26 38 o 8.502000       1.241000      344.2516      -144.6 
1 1 1 21 26 39 o 1.830000       1.186000      208.9981      100.2  
1 1 1 21 26 40 o -1.359000      1.175000      105.8122      71.3   
1 1 1 21 26 41 o 5.329000       1.236000      323.0856      -107.6 
1 1 1 21 26 42 o 9.029000       1.327000      426.5550      -150.6 
1 1 1 21 26 43 o 0.4321000      1.272000      138.7098      -72.9  
1 1 1 21 26 44 o 6.822000       1.295000      350.3019      -70.1  
1 1 1 21 26 45 o -1.089000      1.302000      131.8124      -98.1  
1 1 1 21 26 46 o -0.1214000     1.513000      178.7247      85.4   
1 1 1 21 26 47 o 3.609000       1.418000      ?             ?      
1 1 1 21 26 48 o 2.171000       1.290000      ?             ?      
1 1 1 21 26 49 o 2.824000       1.276000      ?             ?      
1 1 1 21 26 50 o 2.179000       1.423000      ?             ?      
1 1 1 21 26 51 o 2.560000       1.485000      ?             ?      
1 1 1 21 26 52 o 0.6295000      1.305000      ?             ?      
1 1 1 21 26 53 f 0.8514000      1.217000      ?             ?      
1 1 1 21 26 54 o 0.8019000      1.332000      ?             ?      
1 1 1 21 26 55 o -0.5845000     1.415000      ?             ?      
1 1 1 21 26 56 o 0.1356000      1.428000      ?             ?      
1 1 1 21 26 57 o 1.238000       1.345000      ?             ?      
1 1 1 21 26 58 o 6.330000       1.364000      ?             ?      
1 1 1 21 26 59 o 3.540000       1.232000      ?             ?      
1 1 1 21 26 60 o 0.8598000      1.361000      ?             ?      
1 1 1 21 26 61 o -0.8910000     1.867000      ?             ?      
1 1 1 21 26 62 o 0.5038000      1.665000      ?             ?      
1 1 1 21 26 63 o -1.616000      1.259000      ?             ?      
1 1 1 21 26 64 o -1.911000      1.267000      ?             ?      
1 1 1 21 26 65 o -0.7503000     1.413000      ?             ?      
1 1 1 21 27 0  o 3.630000       1.585000      48.99826      -90.0  
1 1 1 21 27 1  o 14.77000       1.420000      458.7811      -166.8 
1 1 1 21 27 2  o 9.518000       1.304000      392.2450      124.0  
1 1 1 21 27 3  o 10.32000       1.028000      497.7459      -94.8  
1 1 1 21 27 4  o 4.483000       1.078000      293.1865      -107.2 
1 1 1 21 27 5  o 12.77000       1.198000      615.9382      27.7   
1 1 1 21 27 6  o 4.493000       1.132000      80.25330      40.9   
1 1 1 21 27 7  o 1.326000       1.219000      64.12709      33.4   
1 1 1 21 27 8  o 8.717000       1.127000      380.6937      -163.1 
1 1 1 21 27 9  o 3.541000       1.080000      267.4585      -102.3 
1 1 1 21 27 10 o 3.144000       1.095000      275.8792      21.5   
1 1 1 21 27 11 o 3.464000       1.107000      244.8820      -131.2 
1 1 1 21 27 12 o -2.020000      1.069000      145.9805      61.9   
1 1 1 21 27 13 o 9.101000       1.141000      446.1588      -114.7 
1 1 1 21 27 14 o 0.5941000      1.084000      161.2433      -109.2 
1 1 1 21 27 15 o 1.061000       1.084000      94.41895      74.6   
1 1 1 21 27 16 o 0.5177000      1.186000      80.17249      -10.5  
1 1 1 21 27 17 o 13.94000       1.296000      461.2884      -35.4  
1 1 1 21 27 18 o 0.6205000E-01  1.213000      35.36625      -155.5 
1 1 1 21 27 19 o 1.131000       1.300000      41.95660      -87.6  
1 1 1 21 27 20 o 4.083000       1.345000      143.7924      -160.2 
1 1 1 21 27 21 o 4.992000       1.347000      355.1744      -25.8  
1 1 1 21 27 22 o 6.526000       1.432000      380.7109      127.6  
1 1 1 21 27 23 o 9.428000       1.819000      468.3690      -36.1  
1 1 1 21 27 24 o -0.3202000     1.118000      166.5645      -60.7  
1 1 1 21 27 25 o 28.74000       1.426000      596.6960      59.2   
1 1 1 21 27 26 o 4.306000       1.100000      393.4122      37.7   
1 1 1 21 27 27 o 0.6265000      1.040000      44.62454      102.0  
1 1 1 21 27 28 o 0.6624000      1.245000      74.13811      36.8   
1 1 1 21 27 29 o 0.4768000      1.038000      135.9675      1.0    
1 1 1 21 27 30 o 3.616000       1.024000      288.0991      -167.7 
1 1 1 21 27 31 o 5.057000       1.002000      422.5589      161.6  
1 1 1 21 27 32 o 17.43000       1.327000      539.1660      103.0  
1 1 1 21 27 33 o 1.811000       1.198000      132.7073      92.0   
1 1 1 21 27 34 o 0.3104000      1.296000      135.9852      -30.7  
1 1 1 21 27 35 o -1.182000      1.162000      64.62585      -173.0 
1 1 1 21 27 36 o 0.7261000      1.223000      210.9516      -93.0  
1 1 1 21 27 37 o 7.915000       1.183000      368.2005      25.4   
1 1 1 21 27 38 o 4.865000       1.201000      282.0835      -165.4 
1 1 1 21 27 39 o 9.084000       1.217000      427.4115      -49.2  
1 1 1 21 27 40 o -0.3893000     1.171000      173.8224      71.0   
1 1 1 21 27 41 o 4.347000       1.248000      237.3600      -29.0  
1 1 1 21 27 42 o 20.93000       1.452000      653.4040      -124.1 
1 1 1 21 27 43 o 2.916000       1.291000      228.6805      -103.1 
1 1 1 21 27 44 o 0.2398000      1.266000      174.7980      -178.5 
1 1 1 21 27 45 o 0.1751000      1.371000      243.8176      -56.1  
1 1 1 21 27 46 o 1.404000       1.565000      ?             ?      
1 1 1 21 27 47 o 5.593000       1.349000      ?             ?      
1 1 1 21 27 48 o 4.167000       1.263000      ?             ?      
1 1 1 21 27 49 o 5.433000       1.260000      ?             ?      
1 1 1 21 27 50 o -2.230000      1.369000      ?             ?      
1 1 1 21 27 51 f 1.213000       1.450000      ?             ?      
1 1 1 21 27 52 o 6.135000       1.464000      ?             ?      
1 1 1 21 27 53 o 0.4984000      1.325000      ?             ?      
1 1 1 21 27 54 o 5.611000       1.368000      ?             ?      
1 1 1 21 27 55 o 0.5223000      1.313000      ?             ?      
1 1 1 21 27 56 o -0.6144000     1.412000      ?             ?      
1 1 1 21 27 57 o 0.5388000      1.332000      ?             ?      
1 1 1 21 27 58 o 1.329000       1.319000      ?             ?      
1 1 1 21 27 59 o 0.9780000      1.345000      ?             ?      
1 1 1 21 27 60 o 6.466000       1.661000      ?             ?      
1 1 1 21 27 61 o 3.264000       1.610000      ?             ?      
1 1 1 21 27 62 o -1.410000      1.598000      ?             ?      
1 1 1 21 27 63 o 0.6325000      1.260000      ?             ?      
1 1 1 21 27 64 o -0.5119000     1.275000      ?             ?      
1 1 1 21 28 0  o 3.292000       1.547000      447.7076      -90.0  
1 1 1 21 28 1  o 11.76000       1.200000      506.6531      120.8  
1 1 1 21 28 2  o 13.30000       1.179000      381.0338      -78.2  
1 1 1 21 28 3  o 2.252000       1.162000      194.6056      -6.8   
1 1 1 21 28 4  o 7.392000       1.098000      353.9181      113.7  
1 1 1 21 28 5  o 0.9446000      1.144000      297.7663      112.6  
1 1 1 21 28 6  o 18.35000       1.239000      695.2260      -11.4  
1 1 1 21 28 7  o 5.266000       1.271000      356.8549      -62.3  
1 1 1 21 28 8  o 15.19000       1.156000      587.1508      145.5  
1 1 1 21 28 9  o 4.812000       1.068000      323.5619      34.9   
1 1 1 21 28 10 o 0.9694000      1.072000      164.5445      -32.5  
1 1 1 21 28 11 o 6.508000       1.120000      240.7009      103.3  
1 1 1 21 28 12 o 5.298000       1.129000      253.2840      167.5  
1 1 1 21 28 13 o 20.61000       1.258000      688.1058      -143.4 
1 1 1 21 28 14 o 4.654000       1.119000      281.6670      89.0   
1 1 1 21 28 15 o 27.71000       1.356000      667.9974      -15.9  
1 1 1 21 28 16 o 30.13000       1.493000      792.5070      142.9  
1 1 1 21 28 17 o 3.927000       1.191000      293.4442      -88.7  
1 1 1 21 28 18 o 9.262000       1.287000      353.1598      12.5   
1 1 1 21 28 19 o 6.684000       1.276000      303.9351      -59.3  
1 1 1 21 28 20 o 14.83000       1.395000      530.2680      -156.9 
1 1 1 21 28 21 o -0.8350000     1.281000      181.0181      -65.7  
1 1 1 21 28 22 o 29.07000       1.751000      722.0062      30.5   
1 1 1 21 28 23 o 2.848000       1.413000      156.1363      -165.1 
1 1 1 21 28 24 o 15.14000       1.344000      475.2026      172.0  
1 1 1 21 28 25 o -1.090000      1.106000      108.7781      -175.3 
1 1 1 21 28 26 o 1.175000       1.112000      202.8817      173.3  
1 1 1 21 28 27 o 3.131000       1.161000      380.4607      80.5   
1 1 1 21 28 28 o 6.478000       1.149000      399.5928      -114.3 
1 1 1 21 28 29 o 3.050000       1.011000      293.5688      -176.9 
1 1 1 21 28 30 o -0.7030000     0.9399000     60.61205      -43.5  
1 1 1 21 28 31 o -2.863000      0.9973000     59.46620      -99.2  
1 1 1 21 28 32 o 0.7757000      1.131000      77.41707      1.8    
1 1 1 21 28 33 o 13.27000       1.217000      606.0900      -177.9 
1 1 1 21 28 34 o 1.432000       1.228000      162.4627      -37.4  
1 1 1 21 28 35 o 5.444000       1.274000      375.7733      173.8  
1 1 1 21 28 36 o 14.17000       1.352000      490.8610      148.3  
1 1 1 21 28 37 o -3.014000      1.130000      103.5966      113.2  
1 1 1 21 28 38 o 0.7947000      1.100000      161.6579      -75.9  
1 1 1 21 28 39 o 6.366000       1.177000      423.0818      160.9  
1 1 1 21 28 40 o 2.280000       1.180000      201.8270      -18.8  
1 1 1 21 28 41 o 13.46000       1.305000      459.9984      -108.8 
1 1 1 21 28 42 o 14.32000       1.370000      499.5233      -58.2  
1 1 1 21 28 43 o 27.22000       1.506000      805.1624      -42.5  
1 1 1 21 28 44 o 5.951000       1.338000      341.8557      20.8   
1 1 1 21 28 45 o 0.7657000      1.509000      ?             ?      
1 1 1 21 28 46 o 13.69000       1.509000      ?             ?      
1 1 1 21 28 47 o 8.447000       1.331000      ?             ?      
1 1 1 21 28 48 o 3.411000       1.242000      ?             ?      
1 1 1 21 28 49 o 1.319000       1.213000      ?             ?      
1 1 1 21 28 50 o -1.799000      1.662000      ?             ?      
1 1 1 21 28 51 o 1.671000       1.688000      ?             ?      
1 1 1 21 28 52 o 2.083000       1.531000      ?             ?      
1 1 1 21 28 53 o 0.7567000      1.515000      ?             ?      
1 1 1 21 28 54 o 1.888000       1.202000      ?             ?      
1 1 1 21 28 55 o 1.702000       1.309000      ?             ?      
1 1 1 21 28 56 o 0.7340000      1.505000      ?             ?      
1 1 1 21 28 57 o 1.543000       1.448000      ?             ?      
1 1 1 21 28 58 o 2.475000       1.742000      ?             ?      
1 1 1 21 28 59 o 1.105000       1.290000      ?             ?      
1 1 1 21 28 60 o 3.522000       1.400000      ?             ?      
1 1 1 21 28 61 o 0.1644000      1.399000      ?             ?      
1 1 1 21 28 62 o 1.267000       1.268000      ?             ?      
1 1 1 21 28 63 o 1.265000       1.279000      ?             ?      
1 1 1 21 28 64 o 1.803000       1.898000      ?             ?      
1 1 1 21 29 0  o 17.84000       1.710000      507.9858      -90.0  
1 1 1 21 29 1  o 5.793000       1.030000      407.7257      179.7  
1 1 1 21 29 2  o 3.844000       1.081000      503.9284      -117.6 
1 1 1 21 29 3  o 7.918000       1.238000      597.2300      -66.1  
1 1 1 21 29 4  o 11.50000       1.258000      473.2716      114.4  
1 1 1 21 29 5  o 29.90000       1.501000      603.6249      79.1   
1 1 1 21 29 6  o 4.565000       1.079000      326.0498      -17.6  
1 1 1 21 29 7  o 0.8026000      1.064000      122.3076      111.2  
1 1 1 21 29 8  o 2.525000       1.078000      191.3047      -157.9 
1 1 1 21 29 9  o -0.6286000     1.045000      34.12922      -27.4  
1 1 1 21 29 10 o 27.49000       1.339000      792.5557      -91.4  
1 1 1 21 29 11 o 18.80000       1.270000      511.6967      -136.2 
1 1 1 21 29 12 o 0.8020000      1.104000      120.6932      127.5  
1 1 1 21 29 13 o 28.39000       1.379000      689.7921      -160.8 
1 1 1 21 29 14 o 15.11000       1.199000      434.7666      -22.0  
1 1 1 21 29 15 o 5.477000       1.103000      293.5257      174.0  
1 1 1 21 29 16 o 7.231000       1.217000      358.3811      103.7  
1 1 1 21 29 17 o 2.809000       1.199000      86.02930      -178.2 
1 1 1 21 29 18 o -0.1466000     1.210000      148.0331      -116.0 
1 1 1 21 29 19 o 16.36000       1.358000      490.2738      124.9  
1 1 1 21 29 20 o 0.5864000      1.251000      117.4542      -127.3 
1 1 1 21 29 21 o 3.270000       1.285000      350.7205      79.9   
1 1 1 21 29 22 o 1.759000       1.310000      188.1683      155.6  
1 1 1 21 29 23 o 9.944000       1.405000      451.4841      -102.2 
1 1 1 21 29 24 o -1.863000      1.228000      12.35138      -64.8  
1 1 1 21 29 25 o 10.69000       1.529000      481.4416      31.1   
1 1 1 21 29 26 o -0.6374000     1.192000      178.2604      -169.2 
1 1 1 21 29 27 o 0.9840000      1.254000      149.1548      -66.0  
1 1 1 21 29 28 o 2.071000       1.059000      242.7063      135.7  
1 1 1 21 29 29 o -0.5730000     1.032000      77.98978      -121.9 
1 1 1 21 29 30 o 2.483000       0.9897000     270.7891      173.1  
1 1 1 21 29 31 o 10.64000       1.029000      495.9365      141.1  
1 1 1 21 29 32 o 0.9447000      0.9851000     265.9337      -61.2  
1 1 1 21 29 33 o 6.382000       1.129000      339.2437      26.0   
1 1 1 21 29 34 o 24.61000       1.803000      535.3416      -108.8 
1 1 1 21 29 35 o -1.481000      1.301000      103.4498      24.9   
1 1 1 21 29 36 o 1.532000       1.276000      194.9584      -98.4  
1 1 1 21 29 37 o 0.2509000E-01  1.194000      123.0450      153.0  
1 1 1 21 29 38 o 2.186000       1.135000      206.7701      167.2  
1 1 1 21 29 39 o 9.929000       1.261000      474.3957      -34.8  
1 1 1 21 29 40 o 1.363000       1.131000      65.55830      68.3   
1 1 1 21 29 41 o 19.43000       1.366000      667.1094      -49.7  
1 1 1 21 29 42 o 2.752000       1.265000      231.5087      -148.4 
1 1 1 21 29 43 o 4.249000       1.275000      292.6381      -70.3  
1 1 1 21 29 44 o 14.32000       1.477000      ?             ?      
1 1 1 21 29 45 o 6.693000       1.507000      ?             ?      
1 1 1 21 29 46 o 6.403000       1.318000      ?             ?      
1 1 1 21 29 47 o 3.803000       1.241000      ?             ?      
1 1 1 21 29 48 o 3.729000       1.353000      ?             ?      
1 1 1 21 29 49 o -0.9892000E-01 1.323000      ?             ?      
1 1 1 21 29 50 o 2.802000       1.330000      ?             ?      
1 1 1 21 29 51 o 0.5666000      1.360000      ?             ?      
1 1 1 21 29 52 o 7.806000       1.508000      ?             ?      
1 1 1 21 29 53 o 2.974000       1.284000      ?             ?      
1 1 1 21 29 54 o 2.774000       1.301000      ?             ?      
1 1 1 21 29 55 o -1.431000      1.286000      ?             ?      
1 1 1 21 29 56 o -0.1924000     1.460000      ?             ?      
1 1 1 21 29 57 o 0.6308000      1.426000      ?             ?      
1 1 1 21 29 58 o 1.003000       1.350000      ?             ?      
1 1 1 21 29 59 o 1.458000       1.371000      ?             ?      
1 1 1 21 29 60 o 1.122000       1.556000      ?             ?      
1 1 1 21 29 61 o 2.109000       1.307000      ?             ?      
1 1 1 21 29 62 o 2.755000       1.264000      ?             ?      
1 1 1 21 29 63 o -1.447000      1.263000      ?             ?      
1 1 1 21 30 0  o 14.56000       1.665000      458.2108      90.0   
1 1 1 21 30 1  o 7.269000       1.031000      436.0150      -110.9 
1 1 1 21 30 2  o 26.45000       1.344000      807.0424      -64.3  
1 1 1 21 30 3  o 1.697000       1.621000      134.8764      177.6  
1 1 1 21 30 4  o 11.26000       1.382000      505.8118      178.1  
1 1 1 21 30 5  o 5.539000       1.078000      335.1429      66.5   
1 1 1 21 30 6  o 2.877000       1.051000      299.3414      30.6   
1 1 1 21 30 7  o 15.43000       1.172000      524.4828      118.6  
1 1 1 21 30 8  o -1.936000      1.145000      94.81922      -110.7 
1 1 1 21 30 9  o 25.98000       1.310000      736.3837      29.8   
1 1 1 21 30 10 o 0.8231000E-01  1.069000      190.2995      -174.5 
1 1 1 21 30 11 o 9.367000       1.137000      335.2670      -140.4 
1 1 1 21 30 12 o 6.506000       1.126000      333.3752      -145.5 
1 1 1 21 30 13 o 18.43000       1.257000      513.3168      -3.9   
1 1 1 21 30 14 o 2.947000       1.094000      322.4034      -10.7  
1 1 1 21 30 15 o 2.526000       1.069000      263.9573      90.6   
1 1 1 21 30 16 o 12.11000       1.297000      426.8025      -21.1  
1 1 1 21 30 17 o 0.1068000      1.206000      271.9656      -80.5  
1 1 1 21 30 18 o 4.649000       1.236000      311.7081      -110.8 
1 1 1 21 30 19 o 12.08000       1.347000      672.5773      -158.6 
1 1 1 21 30 20 o 12.22000       1.334000      482.5099      -166.5 
1 1 1 21 30 21 o 7.481000       1.315000      299.2441      2.8    
1 1 1 21 30 22 o 1.181000       1.304000      159.5886      46.0   
1 1 1 21 30 23 o 10.48000       1.407000      396.5348      -176.3 
1 1 1 21 30 24 o 3.715000       1.734000      219.3148      -160.6 
1 1 1 21 30 25 o 6.291000       1.524000      332.7399      46.1   
1 1 1 21 30 26 o 10.51000       1.464000      543.2264      -172.8 
1 1 1 21 30 27 o 3.181000       1.167000      184.7226      -124.9 
1 1 1 21 30 28 o 1.605000       1.067000      113.7707      -7.6   
1 1 1 21 30 29 o 0.8063000      1.004000      31.64641      123.9  
1 1 1 21 30 30 o 3.408000       0.9804000     242.2417      -74.6  
1 1 1 21 30 31 o 2.791000       0.9962000     278.1312      63.3   
1 1 1 21 30 32 o 7.339000       1.073000      407.9394      -78.5  
1 1 1 21 30 33 o -0.9590000     1.046000      59.55815      -170.2 
1 1 1 21 30 34 o 2.586000       1.110000      173.4479      130.8  
1 1 1 21 30 35 o 2.420000       1.139000      267.8476      -107.0 
1 1 1 21 30 36 o 0.7861000      1.320000      220.9072      -71.9  
1 1 1 21 30 37 o 2.918000       1.337000      183.8010      -77.3  
1 1 1 21 30 38 o 1.938000       1.315000      36.74832      119.3  
1 1 1 21 30 39 o 4.372000       1.170000      263.8282      106.4  
1 1 1 21 30 40 o 4.327000       1.134000      349.0283      19.3   
1 1 1 21 30 41 o 15.74000       1.371000      591.1103      -73.4  
1 1 1 21 30 42 o 6.286000       1.308000      323.1642      20.5   
1 1 1 21 30 43 f 4.129000       1.289000      ?             ?      
1 1 1 21 30 44 o 5.778000       1.527000      ?             ?      
1 1 1 21 30 45 o 14.21000       1.511000      ?             ?      
1 1 1 21 30 46 o 0.3015000E-01  1.451000      ?             ?      
1 1 1 21 30 47 o 1.236000       1.218000      ?             ?      
1 1 1 21 30 48 o 3.308000       1.324000      ?             ?      
1 1 1 21 30 49 o 2.514000       1.189000      ?             ?      
1 1 1 21 30 50 o 1.309000       1.181000      ?             ?      
1 1 1 21 30 51 o 8.583000       1.401000      ?             ?      
1 1 1 21 30 52 o -1.761000      1.421000      ?             ?      
1 1 1 21 30 53 o 1.752000       1.297000      ?             ?      
1 1 1 21 30 54 o 1.531000       1.418000      ?             ?      
1 1 1 21 30 55 o 2.129000       1.199000      ?             ?      
1 1 1 21 30 56 o 2.111000       1.201000      ?             ?      
1 1 1 21 30 57 o 3.679000       1.358000      ?             ?      
1 1 1 21 30 58 o 4.625000       1.597000      ?             ?      
1 1 1 21 30 59 o 1.890000       1.562000      ?             ?      
1 1 1 21 30 60 o -0.5390000     1.375000      ?             ?      
1 1 1 21 30 61 o 0.5747000      1.247000      ?             ?      
1 1 1 21 30 62 o -0.2391000     1.260000      ?             ?      
1 1 1 21 31 0  o 1.526000       1.240000      322.8784      -90.0  
1 1 1 21 31 1  o 0.6043000      0.9988000     205.1966      6.6    
1 1 1 21 31 2  o -0.7434000E-01 1.066000      102.4368      116.6  
1 1 1 21 31 3  o -0.4069000     1.068000      32.29784      164.2  
1 1 1 21 31 4  o 13.68000       1.411000      600.3478      85.4   
1 1 1 21 31 5  o 4.151000       1.206000      369.0923      134.1  
1 1 1 21 31 6  o 6.826000       1.109000      343.1253      -84.9  
1 1 1 21 31 7  o 0.9963000      1.108000      279.7101      135.8  
1 1 1 21 31 8  o 12.06000       1.119000      324.2355      142.6  
1 1 1 21 31 9  o -1.060000      1.046000      237.9641      -89.2  
1 1 1 21 31 10 o 4.515000       1.090000      360.5763      -144.3 
1 1 1 21 31 11 o 16.14000       1.228000      579.9034      127.5  
1 1 1 21 31 12 o 0.4070000      1.061000      103.2216      108.4  
1 1 1 21 31 13 o 7.291000       1.107000      450.4544      -115.0 
1 1 1 21 31 14 o 6.143000       1.084000      433.0932      16.7   
1 1 1 21 31 15 o 15.49000       1.203000      542.1130      149.5  
1 1 1 21 31 16 o 5.408000       1.266000      353.1993      159.2  
1 1 1 21 31 17 o 25.79000       1.530000      656.4086      29.1   
1 1 1 21 31 18 o 16.25000       1.402000      652.1833      -87.5  
1 1 1 21 31 19 o 9.197000       1.308000      433.6136      167.2  
1 1 1 21 31 20 o 9.799000       1.344000      505.2169      -72.6  
1 1 1 21 31 21 o 15.31000       1.466000      545.6853      -1.2   
1 1 1 21 31 22 o 9.747000       1.374000      458.7434      -142.4 
1 1 1 21 31 23 o 1.458000       1.371000      109.9077      -138.5 
1 1 1 21 31 24 o 6.798000       1.806000      361.2270      50.4   
1 1 1 21 31 25 o 22.29000       1.834000      620.8473      -8.2   
1 1 1 21 31 26 o 12.47000       2.056000      518.1585      -163.8 
1 1 1 21 31 27 o -0.4144000     1.318000      169.5927      -102.2 
1 1 1 21 31 28 o 0.9130000      1.064000      88.72339      -105.8 
1 1 1 21 31 29 o 1.277000       0.9720000     102.8958      23.5   
1 1 1 21 31 30 o 10.17000       1.034000      487.3097      113.7  
1 1 1 21 31 31 f 24.82000       1.505000      728.1259      29.1   
1 1 1 21 31 32 o 9.661000       1.127000      441.1370      -107.1 
1 1 1 21 31 33 o 1.340000       1.029000      201.3063      -10.0  
1 1 1 21 31 34 o 4.007000       1.056000      256.0409      -60.9  
1 1 1 21 31 35 o 6.913000       1.197000      380.3224      -9.3   
1 1 1 21 31 36 o 5.154000       1.228000      376.5359      102.0  
1 1 1 21 31 37 o 2.365000       1.353000      207.7213      64.5   
1 1 1 21 31 38 o 7.540000       1.303000      399.8040      -140.2 
1 1 1 21 31 39 o 1.761000       1.166000      221.1616      -37.3  
1 1 1 21 31 40 o 3.990000       1.136000      303.8451      109.5  
1 1 1 21 31 41 o 14.10000       1.268000      694.7370      -85.1  
1 1 1 21 31 42 o 0.9347000E-01  1.221000      ?             ?      
1 1 1 21 31 43 o 6.642000       1.371000      ?             ?      
1 1 1 21 31 44 o 0.7653000      1.524000      ?             ?      
1 1 1 21 31 45 o 1.293000       1.344000      ?             ?      
1 1 1 21 31 46 o 2.358000       1.468000      ?             ?      
1 1 1 21 31 47 o 3.032000       1.190000      ?             ?      
1 1 1 21 31 48 o 0.4342000E-01  1.157000      ?             ?      
1 1 1 21 31 49 o 8.272000       1.216000      ?             ?      
1 1 1 21 31 50 o 2.346000       1.291000      ?             ?      
1 1 1 21 31 51 o 1.583000       1.420000      ?             ?      
1 1 1 21 31 52 o -0.2428000     1.309000      ?             ?      
1 1 1 21 31 53 o 4.312000       1.440000      ?             ?      
1 1 1 21 31 54 f 1.320000       1.278000      ?             ?      
1 1 1 21 31 55 o 1.758000       1.187000      ?             ?      
1 1 1 21 31 56 o 0.7425000E-01  1.191000      ?             ?      
1 1 1 21 31 57 o 2.365000       1.336000      ?             ?      
1 1 1 21 31 58 o -0.5754000     1.557000      ?             ?      
1 1 1 21 31 59 o 1.925000       1.696000      ?             ?      
1 1 1 21 31 60 o 0.4742000      1.293000      ?             ?      
1 1 1 21 31 61 o 1.117000       1.259000      ?             ?      
1 1 1 21 31 62 o 0.8715000      1.267000      ?             ?      
1 1 1 21 32 0  o 15.76000       1.600000      502.7222      -90.0  
1 1 1 21 32 1  o 41.20000       1.471000      920.2312      -117.3 
1 1 1 21 32 2  o 10.59000       1.129000      577.5284      125.2  
1 1 1 21 32 3  o 7.447000       1.162000      466.7883      149.8  
1 1 1 21 32 4  o -0.7572000     1.279000      140.7644      -62.0  
1 1 1 21 32 5  o 2.199000       1.178000      315.8503      169.2  
1 1 1 21 32 6  o 19.84000       1.328000      630.2346      -173.3 
1 1 1 21 32 7  o 4.391000       1.134000      407.6638      43.9   
1 1 1 21 32 8  o 0.3912000      1.032000      91.12885      -30.1  
1 1 1 21 32 9  o 2.270000       1.074000      239.9357      33.9   
1 1 1 21 32 10 o 16.75000       1.194000      559.1561      -158.9 
1 1 1 21 32 11 o 0.8626000      1.076000      184.3109      -34.8  
1 1 1 21 32 12 o 0.6208000      1.042000      239.7383      16.0   
1 1 1 21 32 13 o 0.2479000      1.044000      90.58160      60.7   
1 1 1 21 32 14 o 6.888000       1.106000      334.5067      56.9   
1 1 1 21 32 15 o 1.019000       1.080000      107.9079      -47.0  
1 1 1 21 32 16 o 18.41000       1.399000      769.9235      -42.3  
1 1 1 21 32 17 o 2.167000       1.233000      202.8608      36.0   
1 1 1 21 32 18 o 2.478000       1.244000      203.8574      130.1  
1 1 1 21 32 19 o 7.966000       1.339000      414.7222      82.9   
1 1 1 21 32 20 o 1.865000       1.301000      190.4660      -112.5 
1 1 1 21 32 21 o 4.756000       1.326000      437.4572      -126.9 
1 1 1 21 32 22 o 7.609000       1.347000      480.9503      110.8  
1 1 1 21 32 23 f 22.18000       2.053000      804.9683      161.1  
1 1 1 21 32 24 o 0.4810000      1.795000      24.37821      -173.9 
1 1 1 21 32 25 o -1.153000      1.268000      269.6656      -124.4 
1 1 1 21 32 26 o 8.996000       1.454000      423.0465      152.9  
1 1 1 21 32 27 o -0.9438000     1.291000      124.7297      158.2  
1 1 1 21 32 28 o 3.206000       1.200000      235.2040      150.8  
1 1 1 21 32 29 o 12.12000       1.037000      458.0294      166.1  
1 1 1 21 32 30 o 3.195000       0.9609000     199.3721      -172.2 
1 1 1 21 32 31 o 0.7884000      0.9719000     89.31460      -103.9 
1 1 1 21 32 32 o 0.9943000      1.002000      181.5425      16.8   
1 1 1 21 32 33 o -0.6139000     1.017000      178.8543      52.1   
1 1 1 21 32 34 o 4.569000       1.108000      376.3824      105.5  
1 1 1 21 32 35 o 2.325000       1.267000      325.4733      124.8  
1 1 1 21 32 36 o -1.015000      1.166000      145.5453      -7.4   
1 1 1 21 32 37 o 8.931000       1.423000      469.7072      -129.2 
1 1 1 21 32 38 o 2.817000       1.357000      232.1458      93.4   
1 1 1 21 32 39 o 5.227000       1.398000      361.3125      -46.1  
1 1 1 21 32 40 o 2.253000       1.168000      331.4709      7.1    
1 1 1 21 32 41 o 0.6367000      1.106000      ?             ?      
1 1 1 21 32 42 o 0.8282000      1.341000      ?             ?      
1 1 1 21 32 43 o -0.4912000     1.420000      ?             ?      
1 1 1 21 32 44 o 2.947000       1.549000      ?             ?      
1 1 1 21 32 45 o 5.460000       1.246000      ?             ?      
1 1 1 21 32 46 o 1.364000       1.166000      ?             ?      
1 1 1 21 32 47 o 0.7513000      1.213000      ?             ?      
1 1 1 21 32 48 o 0.4485000      1.378000      ?             ?      
1 1 1 21 32 49 o 0.9347000      1.368000      ?             ?      
1 1 1 21 32 50 o -1.896000      1.291000      ?             ?      
1 1 1 21 32 51 o 7.256000       1.202000      ?             ?      
1 1 1 21 32 52 o 0.5966000      1.311000      ?             ?      
1 1 1 21 32 53 o 3.883000       1.438000      ?             ?      
1 1 1 21 32 54 o 2.109000       1.298000      ?             ?      
1 1 1 21 32 55 o 6.444000       1.336000      ?             ?      
1 1 1 21 32 56 f -0.3250000E-01 1.190000      ?             ?      
1 1 1 21 32 57 o 3.334000       1.272000      ?             ?      
1 1 1 21 32 58 o 1.632000       2.011000      ?             ?      
1 1 1 21 32 59 o 3.841000       1.775000      ?             ?      
1 1 1 21 32 60 o 0.8347000      1.363000      ?             ?      
1 1 1 21 32 61 o 1.698000       1.277000      ?             ?      
1 1 1 21 33 0  o -0.9271000     1.241000      153.2185      -90.0  
1 1 1 21 33 1  o -0.8640000     0.8801000     58.52116      77.9   
1 1 1 21 33 2  o -0.6369000E-01 1.046000      126.2929      43.7   
1 1 1 21 33 3  o 2.028000       1.186000      243.8236      -104.4 
1 1 1 21 33 4  o 2.222000       1.184000      193.0206      75.9   
1 1 1 21 33 5  o 1.017000       1.186000      313.8200      -153.3 
1 1 1 21 33 6  o 1.574000       1.138000      268.3555      151.7  
1 1 1 21 33 7  o 11.53000       1.394000      509.7658      84.4   
1 1 1 21 33 8  o 8.894000       1.251000      295.8326      125.6  
1 1 1 21 33 9  o 6.234000       1.111000      216.9671      -49.8  
1 1 1 21 33 10 o 4.923000       1.079000      340.9128      -171.8 
1 1 1 21 33 11 o 0.1911000      1.049000      121.5816      -68.4  
1 1 1 21 33 12 o 10.36000       1.128000      499.1098      140.9  
1 1 1 21 33 13 o 0.9608000      1.050000      76.67914      178.2  
1 1 1 21 33 14 o 2.054000       1.075000      186.8155      97.5   
1 1 1 21 33 15 o 9.801000       1.126000      425.0219      175.8  
1 1 1 21 33 16 o 6.728000       1.284000      386.3142      135.2  
1 1 1 21 33 17 o 8.518000       1.333000      539.1377      79.6   
1 1 1 21 33 18 o 31.94000       1.626000      902.8257      -156.7 
1 1 1 21 33 19 o 1.827000       1.086000      212.6124      -19.5  
1 1 1 21 33 20 o 13.60000       1.409000      603.5717      -60.7  
1 1 1 21 33 21 o 12.43000       1.444000      721.6088      -60.3  
1 1 1 21 33 22 o 4.433000       1.708000      348.5928      -135.8 
1 1 1 21 33 23 o 1.407000       1.724000      245.8730      69.9   
1 1 1 21 33 24 o 10.24000       1.642000      413.9591      -93.0  
1 1 1 21 33 25 o 1.100000       1.480000      242.9898      -50.4  
1 1 1 21 33 26 o 8.812000       1.454000      425.0909      -63.0  
1 1 1 21 33 27 o 5.133000       1.363000      302.9554      -86.1  
1 1 1 21 33 28 o 0.4242000      1.122000      133.7168      -111.4 
1 1 1 21 33 29 o 2.087000       1.126000      295.8153      11.0   
1 1 1 21 33 30 o 0.7780000      0.9627000     182.6966      161.2  
1 1 1 21 33 31 o 1.318000       0.9763000     245.3598      -3.9   
1 1 1 21 33 32 o 11.50000       1.131000      566.9065      -152.6 
1 1 1 21 33 33 o -0.7067000E-01 1.018000      80.44897      -133.5 
1 1 1 21 33 34 o 0.8102000      1.047000      90.06973      9.6    
1 1 1 21 33 35 o 1.223000       1.066000      202.7039      114.4  
1 1 1 21 33 36 o 2.311000       1.206000      376.2473      162.1  
1 1 1 21 33 37 o 2.360000       1.316000      342.7990      -42.2  
1 1 1 21 33 38 o 4.049000       1.437000      294.4281      -18.1  
1 1 1 21 33 39 o 3.249000       1.351000      316.3060      133.0  
1 1 1 21 33 40 o 5.579000       1.294000      ?             ?      
1 1 1 21 33 41 o 6.658000       1.325000      ?             ?      
1 1 1 21 33 42 o 5.602000       1.519000      ?             ?      
1 1 1 21 33 43 o 2.180000       1.237000      ?             ?      
1 1 1 21 33 44 o 0.6654000      1.109000      ?             ?      
1 1 1 21 33 45 o 1.536000       1.089000      ?             ?      
1 1 1 21 33 46 o -0.3251000     1.234000      ?             ?      
1 1 1 21 33 47 o 3.933000       1.397000      ?             ?      
1 1 1 21 33 48 o 1.861000       1.381000      ?             ?      
1 1 1 21 33 49 o -0.5544000     1.114000      ?             ?      
1 1 1 21 33 50 o 0.4126000      1.210000      ?             ?      
1 1 1 21 33 51 o 1.452000       1.225000      ?             ?      
1 1 1 21 33 52 o 0.4258000      1.228000      ?             ?      
1 1 1 21 33 53 o -0.2231000     1.312000      ?             ?      
1 1 1 21 33 54 o 0.9064000      1.409000      ?             ?      
1 1 1 21 33 55 o 0.7933000E-01  1.292000      ?             ?      
1 1 1 21 33 56 o 2.526000       1.357000      ?             ?      
1 1 1 21 33 57 o 1.069000       1.358000      ?             ?      
1 1 1 21 33 58 o -3.042000      1.537000      ?             ?      
1 1 1 21 33 59 o 0.1038000      1.410000      ?             ?      
1 1 1 21 33 60 o 1.693000       1.499000      ?             ?      
1 1 1 21 34 0  o 11.50000       1.338000      350.4849      -90.0  
1 1 1 21 34 1  o 2.090000       0.9266000     143.0173      103.0  
1 1 1 21 34 2  o 4.890000       1.130000      324.3017      87.0   
1 1 1 21 34 3  o 0.7283000      1.121000      116.9717      156.0  
1 1 1 21 34 4  o 2.364000       1.097000      328.4503      -130.7 
1 1 1 21 34 5  o 1.469000       1.014000      367.9364      -141.6 
1 1 1 21 34 6  o 15.32000       1.226000      611.5369      128.4  
1 1 1 21 34 7  o -0.4694000E-01 1.122000      213.7153      26.4   
1 1 1 21 34 8  o 8.174000       1.126000      471.6296      111.7  
1 1 1 21 34 9  o 12.77000       1.203000      477.8290      -79.5  
1 1 1 21 34 10 o 7.623000       1.124000      351.0999      124.3  
1 1 1 21 34 11 o 2.456000       1.055000      284.6618      -35.9  
1 1 1 21 34 12 o 0.7391000      1.076000      113.7801      -107.0 
1 1 1 21 34 13 o 11.23000       1.159000      532.5833      -116.0 
1 1 1 21 34 14 o 6.415000       1.099000      482.3454      -8.8   
1 1 1 21 34 15 o 3.293000       1.129000      447.5252      -96.2  
1 1 1 21 34 16 o 9.500000       1.305000      486.8936      -89.3  
1 1 1 21 34 17 o 0.1543000      1.249000      214.4996      -143.4 
1 1 1 21 34 18 o 7.616000       1.316000      434.1101      50.0   
1 1 1 21 34 19 o 3.779000       1.286000      377.0582      -18.8  
1 1 1 21 34 20 o -0.1316000     1.263000      40.05910      -8.7   
1 1 1 21 34 21 o 4.295000       1.327000      376.4732      -124.1 
1 1 1 21 34 22 o 5.927000       1.770000      381.1726      46.6   
1 1 1 21 34 23 o 0.8268000E-01  1.773000      279.3138      -133.2 
1 1 1 21 34 24 o 4.191000       2.467000      333.2089      -20.7  
1 1 1 21 34 25 o 8.387000       1.706000      324.7062      69.8   
1 1 1 21 34 26 o 13.06000       1.610000      483.9329      77.3   
1 1 1 21 34 27 o -0.6187000     1.314000      161.4373      -174.6 
1 1 1 21 34 28 o -0.6049000     1.224000      73.94336      179.6  
1 1 1 21 34 29 o 3.473000       1.200000      225.4059      138.0  
1 1 1 21 34 30 o 2.543000       1.170000      145.8842      -172.4 
1 1 1 21 34 31 o 6.682000       1.050000      464.1250      -99.8  
1 1 1 21 34 32 o -0.6091000     1.015000      100.8070      133.9  
1 1 1 21 34 33 o 6.577000       1.081000      344.5128      158.8  
1 1 1 21 34 34 o 0.6897000      1.059000      122.3449      -45.8  
1 1 1 21 34 35 o 9.553000       1.132000      258.7406      175.6  
1 1 1 21 34 36 o 4.501000       1.128000      314.9638      -108.1 
1 1 1 21 34 37 o 4.726000       1.370000      464.6653      -116.6 
1 1 1 21 34 38 o 1.187000       1.546000      99.18054      -174.5 
1 1 1 21 34 39 o 1.280000       1.317000      ?             ?      
1 1 1 21 34 40 o -0.3109000     1.389000      ?             ?      
1 1 1 21 34 41 o 0.9831000      1.394000      ?             ?      
1 1 1 21 34 42 o -1.692000      1.205000      ?             ?      
1 1 1 21 34 43 o 0.7464000      1.202000      ?             ?      
1 1 1 21 34 44 o 0.9314000      1.219000      ?             ?      
1 1 1 21 34 45 o 2.697000       1.361000      ?             ?      
1 1 1 21 34 46 o 0.7879000      1.229000      ?             ?      
1 1 1 21 34 47 o -0.2629000     1.098000      ?             ?      
1 1 1 21 34 48 o 3.446000       1.116000      ?             ?      
1 1 1 21 34 49 o -1.340000      1.113000      ?             ?      
1 1 1 21 34 50 o 0.7973000      1.157000      ?             ?      
1 1 1 21 34 51 o -0.2854000     1.167000      ?             ?      
1 1 1 21 34 52 o 4.815000       1.173000      ?             ?      
1 1 1 21 34 53 o -1.806000      1.295000      ?             ?      
1 1 1 21 34 54 o 2.854000       1.548000      ?             ?      
1 1 1 21 34 55 o 4.107000       1.479000      ?             ?      
1 1 1 21 34 56 o 3.554000       1.376000      ?             ?      
1 1 1 21 34 57 o 0.8573000      1.490000      ?             ?      
1 1 1 21 34 58 o 1.146000       1.373000      ?             ?      
1 1 1 21 34 59 o -0.1073000     1.358000      ?             ?      
1 1 1 21 34 60 o 1.659000       1.760000      ?             ?      
1 1 1 21 35 0  o -0.1671000     1.221000      248.1071      90.0   
1 1 1 21 35 1  o 0.4135000      0.9121000     153.8571      81.5   
1 1 1 21 35 2  o 0.2976000      0.9525000     58.37798      6.5    
1 1 1 21 35 3  o 4.085000       0.9573000     266.7965      174.6  
1 1 1 21 35 4  o 1.081000       1.011000      203.6545      174.2  
1 1 1 21 35 5  o 0.1760000      0.9432000     171.9498      -119.7 
1 1 1 21 35 6  o 6.097000       1.061000      473.5647      122.7  
1 1 1 21 35 7  o 0.1360000      1.099000      123.8438      110.5  
1 1 1 21 35 8  o 2.260000       1.093000      271.5926      -108.9 
1 1 1 21 35 9  o 7.570000       1.168000      470.3030      -117.6 
1 1 1 21 35 10 o 4.887000       1.089000      405.5858      69.3   
1 1 1 21 35 11 o -0.1829000     1.079000      145.9096      -140.3 
1 1 1 21 35 12 o 2.445000       1.073000      270.5478      35.9   
1 1 1 21 35 13 f -0.7980000E-01 1.065000      36.25571      20.3   
1 1 1 21 35 14 o -0.3084000     1.086000      233.7495      -135.3 
1 1 1 21 35 15 o 3.024000       1.105000      258.7917      56.9   
1 1 1 21 35 16 o 12.65000       1.373000      609.3405      112.7  
1 1 1 21 35 17 o -0.6242000     1.244000      79.46830      85.1   
1 1 1 21 35 18 o 5.018000       1.294000      155.4436      -60.3  
1 1 1 21 35 19 o -0.3294000     1.269000      209.5647      -27.4  
1 1 1 21 35 20 o 0.6841000      1.293000      192.3946      -0.5   
1 1 1 21 35 21 o -1.634000      1.771000      134.9600      76.4   
1 1 1 21 35 22 o 0.5862000      1.844000      84.26279      133.1  
1 1 1 21 35 23 o 1.720000       1.440000      261.0062      69.9   
1 1 1 21 35 24 o -0.6015000     1.470000      177.0639      -114.5 
1 1 1 21 35 25 o 0.4118000      1.922000      190.8485      95.5   
1 1 1 21 35 26 o -1.722000      1.454000      31.20909      -92.0  
1 1 1 21 35 27 o 11.55000       1.467000      407.8827      -171.9 
1 1 1 21 35 28 o 1.382000       1.286000      190.6262      -90.3  
1 1 1 21 35 29 o -0.5449000     1.226000      133.3111      37.4   
1 1 1 21 35 30 o -1.287000      1.215000      30.88909      -101.8 
1 1 1 21 35 31 o 1.347000       1.225000      272.8857      -53.6  
1 1 1 21 35 32 o 1.093000       1.070000      27.20554      110.1  
1 1 1 21 35 33 o 1.635000       1.072000      247.9132      -32.0  
1 1 1 21 35 34 o 5.411000       1.135000      283.0057      -50.4  
1 1 1 21 35 35 o 0.7755000E-01  1.288000      169.6902      51.3   
1 1 1 21 35 36 o -0.9553000     1.126000      70.02466      119.8  
1 1 1 21 35 37 o 0.1662000      1.205000      186.1606      -23.6  
1 1 1 21 35 38 o 1.710000       1.188000      ?             ?      
1 1 1 21 35 39 o 0.1099000      1.159000      ?             ?      
1 1 1 21 35 40 o 5.091000       1.485000      ?             ?      
1 1 1 21 35 41 o -0.5433000     1.754000      ?             ?      
1 1 1 21 35 42 o -2.071000      1.761000      ?             ?      
1 1 1 21 35 43 o 2.883000       1.312000      ?             ?      
1 1 1 21 35 44 f 2.571000       1.114000      ?             ?      
1 1 1 21 35 45 o 0.5133000      1.084000      ?             ?      
1 1 1 21 35 46 o 0.2360000      1.036000      ?             ?      
1 1 1 21 35 47 o 2.009000       1.090000      ?             ?      
1 1 1 21 35 48 o 2.838000       1.104000      ?             ?      
1 1 1 21 35 49 o -0.6146000     1.135000      ?             ?      
1 1 1 21 35 50 o 1.772000       1.115000      ?             ?      
1 1 1 21 35 51 o 3.351000       1.134000      ?             ?      
1 1 1 21 35 52 o 0.1874000      1.124000      ?             ?      
1 1 1 21 35 53 o -0.9520000E-01 1.182000      ?             ?      
1 1 1 21 35 54 o 0.5940000      1.435000      ?             ?      
1 1 1 21 35 55 o 2.409000       1.555000      ?             ?      
1 1 1 21 35 56 o 0.3821000      1.485000      ?             ?      
1 1 1 21 35 57 o 0.7291000E-01  1.486000      ?             ?      
1 1 1 21 35 58 o 0.1232000      1.344000      ?             ?      
1 1 1 21 35 59 o 0.6187000      1.685000      ?             ?      
1 1 1 21 36 0  o 2.145000       1.240000      317.7227      -90.0  
1 1 1 21 36 1  o 0.2864000      0.9326000     106.4858      132.0  
1 1 1 21 36 2  o 3.846000       1.153000      378.4000      -142.8 
1 1 1 21 36 3  o 1.125000       0.8997000     104.5222      69.7   
1 1 1 21 36 4  f 0.3073000      1.007000      155.2917      -133.9 
1 1 1 21 36 5  o 0.1742000      0.9466000     171.0401      -113.7 
1 1 1 21 36 6  o 2.405000       1.040000      311.9411      -119.9 
1 1 1 21 36 7  o -0.3754000     1.137000      101.8644      -38.9  
1 1 1 21 36 8  o -0.1127000     1.106000      194.1586      74.6   
1 1 1 21 36 9  o -0.3140000     1.105000      78.45990      -142.6 
1 1 1 21 36 10 o 2.571000       1.118000      323.3864      85.9   
1 1 1 21 36 11 o 2.704000       1.120000      238.4198      -15.9  
1 1 1 21 36 12 o 2.569000       1.121000      244.1024      -83.2  
1 1 1 21 36 13 o -0.9373000     1.066000      196.5930      174.7  
1 1 1 21 36 14 o 2.511000       1.118000      150.8178      -113.7 
1 1 1 21 36 15 o 5.771000       1.236000      497.3652      -126.9 
1 1 1 21 36 16 o 8.224000       1.251000      434.4223      121.4  
1 1 1 21 36 17 o 0.7269000      1.289000      51.41637      -109.9 
1 1 1 21 36 18 o 6.692000       1.366000      396.3464      -6.2   
1 1 1 21 36 19 o -1.467000      1.302000      143.5521      -144.3 
1 1 1 21 36 20 o 2.709000       1.391000      214.8813      -16.5  
1 1 1 21 36 21 o 0.5379000      1.812000      77.36810      142.3  
1 1 1 21 36 22 o 2.272000       1.904000      197.8608      -171.7 
1 1 1 21 36 23 o 3.250000       1.575000      250.4510      -10.5  
1 1 1 21 36 24 o 2.715000       1.641000      251.1133      20.9   
1 1 1 21 36 25 o -1.126000      2.013000      129.5050      -36.8  
1 1 1 21 36 26 o 4.983000       1.354000      214.8061      -3.8   
1 1 1 21 36 27 o -1.216000      1.346000      137.9273      -77.8  
1 1 1 21 36 28 o -3.760000      1.307000      71.27548      73.2   
1 1 1 21 36 29 o 5.054000       1.346000      375.7173      105.6  
1 1 1 21 36 30 o -0.5101000     1.256000      163.3515      -69.4  
1 1 1 21 36 31 o 0.9713000      1.249000      220.2810      -179.2 
1 1 1 21 36 32 o 2.661000       1.270000      200.5153      107.8  
1 1 1 21 36 33 o 0.1813000      1.333000      256.3790      27.8   
1 1 1 21 36 34 o 1.602000       1.291000      127.4336      -153.0 
1 1 1 21 36 35 o 1.603000       1.199000      153.2222      -153.6 
1 1 1 21 36 36 o 3.202000       1.093000      312.6616      -100.5 
1 1 1 21 36 37 o -0.6726000     1.061000      ?             ?      
1 1 1 21 36 38 o -0.5450000E-02 1.060000      ?             ?      
1 1 1 21 36 39 o -0.8192000     1.301000      ?             ?      
1 1 1 21 36 40 o -1.037000      1.331000      ?             ?      
1 1 1 21 36 41 o 1.162000       2.071000      ?             ?      
1 1 1 21 36 42 o -1.008000      1.317000      ?             ?      
1 1 1 21 36 43 o 0.7077000      1.133000      ?             ?      
1 1 1 21 36 44 o -0.9679000     1.031000      ?             ?      
1 1 1 21 36 45 o -1.858000      1.023000      ?             ?      
1 1 1 21 36 46 o 2.478000       1.031000      ?             ?      
1 1 1 21 36 47 o 0.1295000      1.092000      ?             ?      
1 1 1 21 36 48 o -1.726000      1.087000      ?             ?      
1 1 1 21 36 49 o 1.931000       1.054000      ?             ?      
1 1 1 21 36 50 o -0.4266000     1.091000      ?             ?      
1 1 1 21 36 51 o 2.659000       1.168000      ?             ?      
1 1 1 21 36 52 o -0.3827000     1.152000      ?             ?      
1 1 1 21 36 53 o 0.9209000      1.140000      ?             ?      
1 1 1 21 36 54 o 1.109000       1.325000      ?             ?      
1 1 1 21 36 55 o -0.3567000     1.532000      ?             ?      
1 1 1 21 36 56 o -0.2522000     1.831000      ?             ?      
1 1 1 21 36 57 o 1.878000       1.543000      ?             ?      
1 1 1 21 36 58 o 0.1814000      1.260000      ?             ?      
1 1 1 21 37 0  o -1.108000      1.381000      62.12996      -90.0  
1 1 1 21 37 1  o 2.227000       0.9435000     295.4708      19.7   
1 1 1 21 37 2  o 2.582000       0.9856000     224.7781      -10.1  
1 1 1 21 37 3  o -0.2109000     0.8980000     14.54795      -138.2 
1 1 1 21 37 4  o 0.3213000      0.8558000     59.05858      -165.8 
1 1 1 21 37 5  o 1.420000       0.9430000     170.0967      -0.1   
1 1 1 21 37 6  o 3.365000       1.003000      193.0611      61.4   
1 1 1 21 37 7  o 2.394000       1.160000      233.1316      -73.0  
1 1 1 21 37 8  o 6.727000       1.153000      520.9670      -166.6 
1 1 1 21 37 9  o 2.986000       1.130000      171.7414      -134.9 
1 1 1 21 37 10 o 1.731000       1.120000      197.0584      71.0   
1 1 1 21 37 11 o 2.192000       1.145000      322.8056      -99.6  
1 1 1 21 37 12 o 3.517000       1.162000      171.9682      31.0   
1 1 1 21 37 13 o 0.3687000      1.131000      99.56360      103.5  
1 1 1 21 37 14 o 4.120000       1.148000      313.7879      -20.4  
1 1 1 21 37 15 o 0.3709000      1.161000      159.9406      60.5   
1 1 1 21 37 16 o 11.22000       1.336000      511.5737      88.2   
1 1 1 21 37 17 o -0.9112000     1.322000      16.99985      15.9   
1 1 1 21 37 18 o 2.461000       1.370000      137.2776      40.7   
1 1 1 21 37 19 o 6.634000       1.431000      247.3993      82.3   
1 1 1 21 37 20 o -0.5451000     1.819000      113.4995      -111.9 
1 1 1 21 37 21 o -0.3168000     1.878000      113.1799      123.4  
1 1 1 21 37 22 o -0.8553000     1.527000      84.87915      146.1  
1 1 1 21 37 23 o 3.033000       1.609000      297.4731      111.3  
1 1 1 21 37 24 o 21.28000       2.620000      524.1916      59.0   
1 1 1 21 37 25 o -2.257000      2.133000      169.7990      160.9  
1 1 1 21 37 26 o -2.253000      1.403000      95.55974      129.4  
1 1 1 21 37 27 o 0.7844000      1.364000      194.9245      -175.0 
1 1 1 21 37 28 o 1.075000       1.353000      15.29622      174.6  
1 1 1 21 37 29 o 0.5018000      1.353000      17.71250      -154.4 
1 1 1 21 37 30 o -1.142000      1.286000      103.3073      -1.2   
1 1 1 21 37 31 o 0.3382000      1.303000      47.31533      -116.4 
1 1 1 21 37 32 o 0.1733000      1.344000      76.81742      129.3  
1 1 1 21 37 33 o 2.320000       1.283000      213.7954      -26.4  
1 1 1 21 37 34 o 0.9140000      1.331000      132.4719      117.1  
1 1 1 21 37 35 o 3.081000       1.062000      ?             ?      
1 1 1 21 37 36 o -1.680000      1.057000      ?             ?      
1 1 1 21 37 37 o 2.823000       1.154000      ?             ?      
1 1 1 21 37 38 o 1.243000       1.136000      ?             ?      
1 1 1 21 37 39 o 0.5016000      1.189000      ?             ?      
1 1 1 21 37 40 o 1.027000       1.346000      ?             ?      
1 1 1 21 37 41 o 2.467000       1.353000      ?             ?      
1 1 1 21 37 42 o -0.5761000     1.419000      ?             ?      
1 1 1 21 37 43 o 1.945000       1.228000      ?             ?      
1 1 1 21 37 44 o -0.6074000     1.056000      ?             ?      
1 1 1 21 37 45 o -1.509000      1.016000      ?             ?      
1 1 1 21 37 46 o 0.4848000      1.029000      ?             ?      
1 1 1 21 37 47 o -0.8946000     1.010000      ?             ?      
1 1 1 21 37 48 o 0.2581000      1.024000      ?             ?      
1 1 1 21 37 49 o 0.2564000      1.030000      ?             ?      
1 1 1 21 37 50 o 0.7073000      1.110000      ?             ?      
1 1 1 21 37 51 o -1.941000      1.134000      ?             ?      
1 1 1 21 37 52 o -0.7253000     1.123000      ?             ?      
1 1 1 21 37 53 o 0.5306000      1.141000      ?             ?      
1 1 1 21 37 54 o 1.701000       1.675000      ?             ?      
1 1 1 21 37 55 o -1.791000      1.498000      ?             ?      
1 1 1 21 37 56 o 2.014000       1.992000      ?             ?      
1 1 1 21 37 57 o -1.484000      1.340000      ?             ?      
1 1 1 21 38 0  o 0.8800000      1.458000      90.79670      -90.0  
1 1 1 21 38 1  o 0.5667000      0.9797000     180.4829      138.0  
1 1 1 21 38 2  o 1.119000       0.9899000     134.1707      119.8  
1 1 1 21 38 3  o 0.8036000      0.8967000     175.2156      62.8   
1 1 1 21 38 4  o 0.9350000      0.8485000     102.0816      -118.9 
1 1 1 21 38 5  o -1.013000      0.8531000     70.83393      170.8  
1 1 1 21 38 6  o 4.670000       0.9816000     268.7344      -101.0 
1 1 1 21 38 7  o 1.775000       1.134000      84.96159      98.2   
1 1 1 21 38 8  o -0.4069000E-01 1.170000      191.3725      -17.1  
1 1 1 21 38 9  o 1.435000       1.116000      100.3434      31.7   
1 1 1 21 38 10 o 8.179000       1.195000      422.1082      41.4   
1 1 1 21 38 11 o -1.392000      1.146000      41.73085      -180.0 
1 1 1 21 38 12 o -1.080000      1.165000      164.2736      71.8   
1 1 1 21 38 13 o 5.341000       1.220000      283.0620      150.2  
1 1 1 21 38 14 o 5.082000       1.228000      307.3331      -167.2 
1 1 1 21 38 15 o -0.2309000     1.181000      38.38511      178.6  
1 1 1 21 38 16 o 5.576000       1.257000      222.3405      157.2  
1 1 1 21 38 17 o 9.520000       1.473000      318.7091      -159.3 
1 1 1 21 38 18 o 4.062000       1.420000      313.0652      -46.1  
1 1 1 21 38 19 o -1.291000      1.834000      79.04448      57.3   
1 1 1 21 38 20 o 3.141000       1.922000      189.4653      103.7  
1 1 1 21 38 21 o 0.6554000      1.526000      133.8577      -114.3 
1 1 1 21 38 22 o 7.035000       1.691000      418.4964      -175.4 
1 1 1 21 38 23 o 5.634000       1.720000      300.0056      74.8   
1 1 1 21 38 24 o 0.6244000      2.227000      119.8769      -48.1  
1 1 1 21 38 25 o 6.705000       1.754000      218.4889      119.3  
1 1 1 21 38 26 o 1.804000       1.699000      166.2723      -34.4  
1 1 1 21 38 27 o 2.772000       1.416000      173.8222      49.6   
1 1 1 21 38 28 o -1.074000      1.367000      24.74579      29.6   
1 1 1 21 38 29 o 2.477000       1.511000      91.23312      -121.3 
1 1 1 21 38 30 o 3.926000       1.824000      248.1108      -16.1  
1 1 1 21 38 31 o 0.3489000      1.308000      118.4640      87.5   
1 1 1 21 38 32 o 0.3029000      1.281000      192.4233      -40.5  
1 1 1 21 38 33 o -1.395000      1.327000      45.93247      16.9   
1 1 1 21 38 34 o 2.701000       1.399000      ?             ?      
1 1 1 21 38 35 o 0.3604000      1.407000      ?             ?      
1 1 1 21 38 36 o 2.953000       1.139000      ?             ?      
1 1 1 21 38 37 o 1.006000       1.019000      ?             ?      
1 1 1 21 38 38 o 0.4211000      1.047000      ?             ?      
1 1 1 21 38 39 o 1.073000       1.033000      ?             ?      
1 1 1 21 38 40 o 0.1365000E-02  1.262000      ?             ?      
1 1 1 21 38 41 o -0.5873000     1.106000      ?             ?      
1 1 1 21 38 42 o -1.349000      1.128000      ?             ?      
1 1 1 21 38 43 o 1.060000       1.315000      ?             ?      
1 1 1 21 38 44 f 0.2086000      1.189000      ?             ?      
1 1 1 21 38 45 o 1.749000       1.055000      ?             ?      
1 1 1 21 38 46 o 1.073000       1.015000      ?             ?      
1 1 1 21 38 47 o -0.8867000     1.012000      ?             ?      
1 1 1 21 38 48 o 1.503000       1.029000      ?             ?      
1 1 1 21 38 49 o 1.006000       1.020000      ?             ?      
1 1 1 21 38 50 o -0.4224000     1.031000      ?             ?      
1 1 1 21 38 51 o -0.1336000     1.043000      ?             ?      
1 1 1 21 38 52 o 2.529000       1.085000      ?             ?      
1 1 1 21 38 53 o 0.5794000      1.213000      ?             ?      
1 1 1 21 38 54 o -0.6650000     1.266000      ?             ?      
1 1 1 21 38 55 o 1.041000       1.562000      ?             ?      
1 1 1 21 38 56 o 1.052000       1.604000      ?             ?      
1 1 1 21 39 0  o 6.563000       1.610000      252.2807      -90.0  
1 1 1 21 39 1  o 0.6454000      1.152000      73.13014      158.1  
1 1 1 21 39 2  o 0.8227000      0.9326000     78.91285      155.9  
1 1 1 21 39 3  o 0.6727000      0.9095000     147.5996      143.6  
1 1 1 21 39 4  o 0.5649000      0.8588000     31.19013      96.7   
1 1 1 21 39 5  o 1.166000       0.8797000     190.7354      -20.6  
1 1 1 21 39 6  o 2.309000       0.9742000     129.1201      -132.2 
1 1 1 21 39 7  o 0.7818000E-01  1.037000      131.2053      -127.2 
1 1 1 21 39 8  o 0.8519000      1.117000      145.4810      167.1  
1 1 1 21 39 9  o 0.9697000      1.125000      194.4128      126.3  
1 1 1 21 39 10 o 0.2601000      1.135000      80.90900      -178.2 
1 1 1 21 39 11 o 3.158000       1.159000      187.8937      -172.9 
1 1 1 21 39 12 o -0.5459000     1.202000      166.7267      -84.5  
1 1 1 21 39 13 o -0.6442000     1.197000      87.39340      124.5  
1 1 1 21 39 14 o -0.3967000     1.229000      81.00674      0.4    
1 1 1 21 39 15 o -0.5477000     1.190000      35.88598      -144.5 
1 1 1 21 39 16 o 6.595000       1.274000      313.4375      43.0   
1 1 1 21 39 17 o 2.087000       1.451000      150.5192      4.4    
1 1 1 21 39 18 o -1.723000      1.476000      37.50742      35.7   
1 1 1 21 39 19 o -1.081000      1.927000      96.60033      46.7   
1 1 1 21 39 20 o -0.8652000     1.949000      104.8014      179.4  
1 1 1 21 39 21 o 1.476000       1.575000      220.5158      -118.1 
1 1 1 21 39 22 o 5.714000       1.679000      223.4021      136.3  
1 1 1 21 39 23 o 3.806000       2.241000      152.0948      167.9  
1 1 1 21 39 24 o 1.994000       2.253000      123.7053      42.4   
1 1 1 21 39 25 o 0.9547000      1.690000      24.00718      -129.5 
1 1 1 21 39 26 o 0.1971000      1.697000      71.81057      103.1  
1 1 1 21 39 27 o 0.6987000      1.866000      12.81213      -169.1 
1 1 1 21 39 28 o -1.173000      1.852000      104.6046      112.9  
1 1 1 21 39 29 o 2.829000       1.406000      178.5368      33.7   
1 1 1 21 39 30 o -1.790000      1.348000      112.3371      85.3   
1 1 1 21 39 31 o -1.648000      1.336000      41.51922      104.5  
1 1 1 21 39 32 o -0.7736000     1.340000      ?             ?      
1 1 1 21 39 33 o 0.2312000E-01  1.661000      ?             ?      
1 1 1 21 39 34 o -3.595000      1.666000      ?             ?      
1 1 1 21 39 35 o -0.2796000     1.262000      ?             ?      
1 1 1 21 39 36 o -0.2062000     1.231000      ?             ?      
1 1 1 21 39 37 o -0.8931000     1.006000      ?             ?      
1 1 1 21 39 38 o -0.3886000     1.007000      ?             ?      
1 1 1 21 39 39 o 1.920000       1.076000      ?             ?      
1 1 1 21 39 40 o -0.2394000     1.089000      ?             ?      
1 1 1 21 39 41 o 3.038000       1.097000      ?             ?      
1 1 1 21 39 42 o 1.842000       1.077000      ?             ?      
1 1 1 21 39 43 o -0.3689000     1.235000      ?             ?      
1 1 1 21 39 44 o 2.043000       1.331000      ?             ?      
1 1 1 21 39 45 o 0.6037000      1.189000      ?             ?      
1 1 1 21 39 46 o 0.4468000      1.041000      ?             ?      
1 1 1 21 39 47 o -0.1317000     1.001000      ?             ?      
1 1 1 21 39 48 o -0.2893000     1.008000      ?             ?      
1 1 1 21 39 49 o -0.1366000     1.030000      ?             ?      
1 1 1 21 39 50 o -1.039000      1.027000      ?             ?      
1 1 1 21 39 51 o 1.517000       1.054000      ?             ?      
1 1 1 21 39 52 o 0.6313000E-01  1.054000      ?             ?      
1 1 1 21 39 53 o -0.3391000     1.109000      ?             ?      
1 1 1 21 39 54 o -1.008000      1.292000      ?             ?      
1 1 1 21 39 55 o -1.903000      1.426000      ?             ?      
1 1 1 21 39 56 o -1.296000      2.700000      ?             ?      
1 1 1 21 40 0  o -1.294000      1.545000      8.413900      -90.0  
1 1 1 21 40 1  o 1.226000       1.168000      91.22953      127.8  
1 1 1 21 40 2  o 0.1395000      0.9435000     127.1216      -134.3 
1 1 1 21 40 3  o 1.485000       0.9124000     69.48394      -27.7  
1 1 1 21 40 4  o 0.5930000      0.8856000     19.91940      -71.2  
1 1 1 21 40 5  o 0.3624000      0.8778000     95.38140      169.9  
1 1 1 21 40 6  o 1.007000       0.8855000     16.57877      177.9  
1 1 1 21 40 7  o -0.1714000     1.053000      70.96715      -49.9  
1 1 1 21 40 8  o -1.078000      1.079000      89.20440      -66.1  
1 1 1 21 40 9  o -1.059000      1.093000      89.33100      75.2   
1 1 1 21 40 10 o -0.3496000     1.128000      90.15948      10.7   
1 1 1 21 40 11 o 0.8315000      1.173000      118.2020      10.6   
1 1 1 21 40 12 o 1.300000       1.244000      158.4108      169.3  
1 1 1 21 40 13 o 0.9436000E-01  1.225000      28.74708      143.3  
1 1 1 21 40 14 o 0.5682000      1.246000      91.83111      -151.9 
1 1 1 21 40 15 o -0.1284000     1.285000      27.16235      135.8  
1 1 1 21 40 16 o -1.498000      1.250000      164.7278      -157.1 
1 1 1 21 40 17 o 1.147000       1.473000      127.4116      118.8  
1 1 1 21 40 18 o -0.2447000     2.014000      106.7183      0.2    
1 1 1 21 40 19 o -0.2955000     2.045000      117.8401      -155.8 
1 1 1 21 40 20 o 0.3459000      1.583000      31.83709      23.3   
1 1 1 21 40 21 o -0.2732000     1.570000      52.54664      -108.2 
1 1 1 21 40 22 o 0.4931000E-01  1.599000      66.43077      -159.0 
1 1 1 21 40 23 o -1.198000      2.190000      102.5248      -172.2 
1 1 1 21 40 24 o -0.4919000     2.433000      77.24291      -106.9 
1 1 1 21 40 25 o 3.450000       1.835000      196.1852      111.1  
1 1 1 21 40 26 o -1.613000      1.732000      51.76158      68.7   
1 1 1 21 40 27 o 2.634000       1.726000      98.12103      142.1  
1 1 1 21 40 28 o 2.177000       1.460000      157.8233      -53.3  
1 1 1 21 40 29 o -2.370000      1.420000      73.86284      -174.8 
1 1 1 21 40 30 o -1.926000      1.410000      67.66386      12.3   
1 1 1 21 40 31 o -0.7672000     1.705000      ?             ?      
1 1 1 21 40 32 o -0.2037000     1.285000      ?             ?      
1 1 1 21 40 33 o -1.460000      1.235000      ?             ?      
1 1 1 21 40 34 o 0.5867000      1.249000      ?             ?      
1 1 1 21 40 35 o 2.468000       1.265000      ?             ?      
1 1 1 21 40 36 o 0.4058000      1.235000      ?             ?      
1 1 1 21 40 37 o 0.7392000      1.355000      ?             ?      
1 1 1 21 40 38 o 1.341000       1.397000      ?             ?      
1 1 1 21 40 39 o 1.811000       1.050000      ?             ?      
1 1 1 21 40 40 o 1.641000       0.9823000     ?             ?      
1 1 1 21 40 41 o 0.8420000E-01  0.9928000     ?             ?      
1 1 1 21 40 42 o 0.4702000E-01  1.060000      ?             ?      
1 1 1 21 40 43 o 0.2425000      1.056000      ?             ?      
1 1 1 21 40 44 o -0.7487000     1.242000      ?             ?      
1 1 1 21 40 45 o -1.681000      1.311000      ?             ?      
1 1 1 21 40 46 o -1.203000      1.199000      ?             ?      
1 1 1 21 40 47 o -0.4561000     1.036000      ?             ?      
1 1 1 21 40 48 o 0.1935000      1.015000      ?             ?      
1 1 1 21 40 49 o 0.9531000      1.031000      ?             ?      
1 1 1 21 40 50 o -0.3535000     1.040000      ?             ?      
1 1 1 21 40 51 o 0.2708000      1.058000      ?             ?      
1 1 1 21 40 52 o -0.2318000     1.063000      ?             ?      
1 1 1 21 40 53 o 1.370000       1.534000      ?             ?      
1 1 1 21 40 54 o -0.6073000     1.231000      ?             ?      
1 1 1 21 40 55 o -1.193000      2.205000      ?             ?      
1 1 1 21 41 0  o -1.891000      1.794000      39.18010      90.0   
1 1 1 21 41 1  o -1.339000      1.205000      63.16944      44.3   
1 1 1 21 41 2  o 1.991000       0.9483000     43.38605      -8.5   
1 1 1 21 41 3  o 1.003000       0.9150000     61.71467      -87.9  
1 1 1 21 41 4  o 0.1610000      0.8876000     74.08360      61.5   
1 1 1 21 41 5  o 0.9235000      0.8814000     85.72443      -112.8 
1 1 1 21 41 6  o 2.409000       0.8960000     102.2467      -118.6 
1 1 1 21 41 7  o 0.2792000      0.9124000     56.46207      98.5   
1 1 1 21 41 8  o -0.3516000     1.130000      109.9580      34.9   
1 1 1 21 41 9  o 0.4347000      1.108000      53.15837      138.5  
1 1 1 21 41 10 o -0.6842000     1.165000      51.25403      -79.1  
1 1 1 21 41 11 o 1.726000       1.212000      58.91005      87.1   
1 1 1 21 41 12 o -3.830000      1.257000      58.88817      177.6  
1 1 1 21 41 13 o -0.8720000     1.259000      35.64887      -172.7 
1 1 1 21 41 14 o 1.498000       1.298000      57.85729      59.8   
1 1 1 21 41 15 o 0.4020000      1.333000      83.91391      -73.2  
1 1 1 21 41 16 o 0.3905000      1.302000      101.6746      93.0   
1 1 1 21 41 17 o -0.6782000     1.575000      76.64689      -34.0  
1 1 1 21 41 18 o -1.443000      2.050000      45.46104      -113.6 
1 1 1 21 41 19 o 0.1283000      2.126000      77.74663      70.2   
1 1 1 21 41 20 o 1.271000       1.605000      42.70798      -88.2  
1 1 1 21 41 21 o 0.3135000      1.594000      64.88895      -53.2  
1 1 1 21 41 22 o 1.357000       2.296000      103.8561      -164.1 
1 1 1 21 41 23 o -0.8846000     2.395000      20.50914      44.4   
1 1 1 21 41 24 o -0.7881000     1.677000      58.20096      -48.9  
1 1 1 21 41 25 o 2.080000       1.700000      90.46191      -75.3  
1 1 1 21 41 26 o -0.4495000     1.723000      4.087511      165.3  
1 1 1 21 41 27 o 0.8484000      1.707000      69.99086      39.9   
1 1 1 21 41 28 o 1.236000       1.719000      22.46727      53.6   
1 1 1 21 41 29 o 3.969000       1.728000      ?             ?      
1 1 1 21 41 30 o 0.5832000      1.369000      ?             ?      
1 1 1 21 41 31 o 0.2060000      1.340000      ?             ?      
1 1 1 21 41 32 o 1.252000       1.318000      ?             ?      
1 1 1 21 41 33 o 0.9615000      1.266000      ?             ?      
1 1 1 21 41 34 o -1.525000      1.222000      ?             ?      
1 1 1 21 41 35 o 1.471000       1.225000      ?             ?      
1 1 1 21 41 36 o 0.2765000      1.230000      ?             ?      
1 1 1 21 41 37 o 1.218000       1.329000      ?             ?      
1 1 1 21 41 38 o 0.3455000      1.181000      ?             ?      
1 1 1 21 41 39 o 0.7540000      1.344000      ?             ?      
1 1 1 21 41 40 o 0.9352000      0.9595000     ?             ?      
1 1 1 21 41 41 o -0.8137000E-01 0.9414000     ?             ?      
1 1 1 21 41 42 o 0.1378000E-01  0.9649000     ?             ?      
1 1 1 21 41 43 o 0.4406000      1.045000      ?             ?      
1 1 1 21 41 44 o 2.559000       1.057000      ?             ?      
1 1 1 21 41 45 o 0.7239000      1.242000      ?             ?      
1 1 1 21 41 46 o 1.988000       1.845000      ?             ?      
1 1 1 21 41 47 o -0.3043000E-01 1.196000      ?             ?      
1 1 1 21 41 48 o 1.079000       1.067000      ?             ?      
1 1 1 21 41 49 o 0.6417000      1.017000      ?             ?      
1 1 1 21 41 50 o 1.316000       1.044000      ?             ?      
1 1 1 21 41 51 o 0.1149000      1.061000      ?             ?      
1 1 1 21 41 52 o 0.5233000      1.096000      ?             ?      
1 1 1 21 41 53 o 0.2276000      1.269000      ?             ?      
1 1 1 21 41 54 o -1.173000      1.576000      ?             ?      
1 1 1 21 42 0  o 1.948000       1.912000      40.13222      90.0   
1 1 1 21 42 1  o 2.714000       1.206000      82.46051      -111.9 
1 1 1 21 42 2  o -0.8471000     0.9771000     8.187437      45.7   
1 1 1 21 42 3  o -1.179000      1.015000      32.59899      172.4  
1 1 1 21 42 4  o 1.288000       0.9064000     62.46855      52.7   
1 1 1 21 42 5  o 0.5591000      0.8866000     74.53269      73.3   
1 1 1 21 42 6  o 0.7017000      0.8979000     42.07022      -171.0 
1 1 1 21 42 7  o 0.2198000E-01  0.9323000     44.17666      140.9  
1 1 1 21 42 8  o -1.055000      1.183000      84.82620      -166.1 
1 1 1 21 42 9  o -1.093000      1.153000      35.04996      102.6  
1 1 1 21 42 10 o 0.4163000      1.202000      5.268866      109.1  
1 1 1 21 42 11 o -0.1150000     1.254000      45.71093      75.4   
1 1 1 21 42 12 o 1.504000       1.308000      91.05972      177.3  
1 1 1 21 42 13 o 1.889000       1.301000      68.47747      -75.3  
1 1 1 21 42 14 o 1.245000       1.360000      89.71367      -44.0  
1 1 1 21 42 15 o 4.615000       1.614000      55.42839      167.0  
1 1 1 21 42 16 o -0.7189000     1.363000      16.98207      -55.5  
1 1 1 21 42 17 o -0.8687000     2.024000      81.33196      76.1   
1 1 1 21 42 18 o -4.347000      2.099000      26.76714      113.5  
1 1 1 21 42 19 o 2.137000       1.709000      30.63997      -158.5 
1 1 1 21 42 20 o -0.3768000     1.685000      26.24282      30.8   
1 1 1 21 42 21 o 0.5694000      1.658000      108.0020      -47.7  
1 1 1 21 42 22 o 1.617000       2.390000      21.22920      138.9  
1 1 1 21 42 23 o -0.4740000     2.377000      44.16134      -152.6 
1 1 1 21 42 24 o 1.532000       1.723000      19.03249      74.3   
1 1 1 21 42 25 o 0.6613000      1.804000      76.12693      75.1   
1 1 1 21 42 26 o -0.2656000E-01 1.657000      35.83261      157.6  
1 1 1 21 42 27 o 0.6406000      1.651000      ?             ?      
1 1 1 21 42 28 o -3.597000      1.668000      ?             ?      
1 1 1 21 42 29 o -0.7084000     1.408000      ?             ?      
1 1 1 21 42 30 o -0.4813000     1.356000      ?             ?      
1 1 1 21 42 31 o 0.5001000      1.356000      ?             ?      
1 1 1 21 42 32 o 0.9250000      1.386000      ?             ?      
1 1 1 21 42 33 o -0.4760000     1.284000      ?             ?      
1 1 1 21 42 34 o 0.6462000      1.215000      ?             ?      
1 1 1 21 42 35 o -0.8935000     1.193000      ?             ?      
1 1 1 21 42 36 o -0.7942000E-01 1.321000      ?             ?      
1 1 1 21 42 37 o 0.4377000      1.325000      ?             ?      
1 1 1 21 42 38 o 0.9558000      1.200000      ?             ?      
1 1 1 21 42 39 o 1.257000       1.313000      ?             ?      
1 1 1 21 42 40 o -1.754000      1.267000      ?             ?      
1 1 1 21 42 41 o 2.401000       1.202000      ?             ?      
1 1 1 21 42 42 o 0.6844000E-01  0.9313000     ?             ?      
1 1 1 21 42 43 o 0.7327000      0.9577000     ?             ?      
1 1 1 21 42 44 o 0.1882000      1.052000      ?             ?      
1 1 1 21 42 45 o 0.7456000      1.054000      ?             ?      
1 1 1 21 42 46 o 1.980000       1.260000      ?             ?      
1 1 1 21 42 47 o 0.1286000      1.351000      ?             ?      
1 1 1 21 42 48 o 0.7034000      1.225000      ?             ?      
1 1 1 21 42 49 o -1.392000      1.075000      ?             ?      
1 1 1 21 42 50 o 2.150000       1.038000      ?             ?      
1 1 1 21 42 51 o 2.327000       1.062000      ?             ?      
1 1 1 21 42 52 o 0.9364000      1.099000      ?             ?      
1 1 1 21 42 53 o -0.7355000     1.894000      ?             ?      
1 1 1 21 43 0  o -3.621000      1.869000      6.901061      -90.0  
1 1 1 21 43 1  o 0.2925000E-01  1.170000      49.51504      68.3   
1 1 1 21 43 2  o 1.775000       1.099000      59.42472      129.3  
1 1 1 21 43 3  o 0.1766000      0.9292000     73.22080      -101.2 
1 1 1 21 43 4  o -1.575000      0.9147000     52.13138      155.3  
1 1 1 21 43 5  o 0.1235000      0.9107000     41.29385      22.9   
1 1 1 21 43 6  o 1.235000       0.9305000     75.22313      -142.4 
1 1 1 21 43 7  o 1.473000       0.9487000     66.08644      -173.3 
1 1 1 21 43 8  o 1.863000       1.223000      38.92228      35.7   
1 1 1 21 43 9  o 1.195000       1.195000      60.70672      -120.3 
1 1 1 21 43 10 o -0.4897000E-01 1.234000      17.80468      -117.8 
1 1 1 21 43 11 o -0.8423000     1.285000      29.49820      49.8   
1 1 1 21 43 12 o 0.8050000      1.534000      72.99203      -83.8  
1 1 1 21 43 13 o -0.1968000     1.563000      61.73743      -25.8  
1 1 1 21 43 14 o 2.012000       1.360000      56.10058      -15.7  
1 1 1 21 43 15 o 0.7939000      1.354000      77.42150      98.5   
1 1 1 21 43 16 o -0.9053000     1.618000      58.51065      0.9    
1 1 1 21 43 17 o 0.9539000      2.186000      51.13629      -14.5  
1 1 1 21 43 18 o 0.7904000      1.669000      50.54058      -113.2 
1 1 1 21 43 19 o -0.2092000     1.584000      8.460204      -153.0 
1 1 1 21 43 20 o -1.193000      1.608000      33.35814      60.5   
1 1 1 21 43 21 o 0.9597000      2.370000      65.92941      -47.5  
1 1 1 21 43 22 o -0.7254000     2.379000      29.12349      37.4   
1 1 1 21 43 23 o -2.259000      1.638000      14.15634      167.0  
1 1 1 21 43 24 o 1.097000       1.633000      50.24924      49.6   
1 1 1 21 43 25 o -1.454000      1.588000      ?             ?      
1 1 1 21 43 26 o -0.9694000     1.614000      ?             ?      
1 1 1 21 43 27 o -1.539000      1.596000      ?             ?      
1 1 1 21 43 28 o -0.4520000     1.656000      ?             ?      
1 1 1 21 43 29 o -1.145000      1.668000      ?             ?      
1 1 1 21 43 30 o 0.5054000      1.413000      ?             ?      
1 1 1 21 43 31 o 1.830000       1.373000      ?             ?      
1 1 1 21 43 32 o 1.321000       1.335000      ?             ?      
1 1 1 21 43 33 o -1.211000      1.311000      ?             ?      
1 1 1 21 43 34 o 1.016000       1.240000      ?             ?      
1 1 1 21 43 35 o 0.6831000      1.324000      ?             ?      
1 1 1 21 43 36 o 0.3913000      1.335000      ?             ?      
1 1 1 21 43 37 o 0.1655000      1.192000      ?             ?      
1 1 1 21 43 38 o 0.6701000      1.330000      ?             ?      
1 1 1 21 43 39 o -1.139000      1.317000      ?             ?      
1 1 1 21 43 40 o -0.6620000     1.161000      ?             ?      
1 1 1 21 43 41 o -0.2047000     1.163000      ?             ?      
1 1 1 21 43 42 o 1.140000       1.245000      ?             ?      
1 1 1 21 43 43 o -0.5771000E-01 0.9503000     ?             ?      
1 1 1 21 43 44 o -0.8204000     0.9547000     ?             ?      
1 1 1 21 43 45 o -0.6459000     1.063000      ?             ?      
1 1 1 21 43 46 o 1.772000       1.066000      ?             ?      
1 1 1 21 43 47 o -1.341000      1.075000      ?             ?      
1 1 1 21 43 48 o 2.001000       1.377000      ?             ?      
1 1 1 21 43 49 o 1.539000       1.257000      ?             ?      
1 1 1 21 43 50 o 0.4376000      1.102000      ?             ?      
1 1 1 21 43 51 o -0.7708000     1.063000      ?             ?      
1 1 1 21 43 52 o -0.7626000     2.122000      ?             ?      
1 1 1 21 44 0  f 0.5781000      1.868000      48.40212      -90.0  
1 1 1 21 44 1  o 0.4938000      1.131000      49.59193      -153.1 
1 1 1 21 44 2  o 0.1730000      1.040000      62.99988      -157.6 
1 1 1 21 44 3  o -0.6014000     0.9131000     69.50079      90.8   
1 1 1 21 44 4  o 1.738000       0.9307000     90.54720      -69.2  
1 1 1 21 44 5  o 0.9467000      0.9369000     108.6938      -39.0  
1 1 1 21 44 6  o -0.1949000     0.9498000     71.42719      74.8   
1 1 1 21 44 7  o 1.131000       0.9607000     55.05788      -155.3 
1 1 1 21 44 8  o 1.258000       0.9873000     29.49548      -89.7  
1 1 1 21 44 9  o -1.538000      1.451000      8.367580      152.2  
1 1 1 21 44 10 o 0.8685000E-01  1.498000      107.3684      -55.5  
1 1 1 21 44 11 o 1.371000       1.295000      56.95453      34.6   
1 1 1 21 44 12 o 1.004000       1.324000      58.64649      67.1   
1 1 1 21 44 13 o -1.736000      1.330000      55.79646      -40.2  
1 1 1 21 44 14 o -0.1362000     1.602000      60.93383      49.5   
1 1 1 21 44 15 o 1.287000       1.520000      23.56174      128.7  
1 1 1 21 44 16 o -1.194000      1.558000      74.72958      131.4  
1 1 1 21 44 17 o 2.062000       2.151000      117.3707      65.8   
1 1 1 21 44 18 o 1.945000       1.609000      53.98692      -116.9 
1 1 1 21 44 19 f 1.289000       1.619000      46.33851      170.9  
1 1 1 21 44 20 o -1.094000      1.688000      94.66975      15.9   
1 1 1 21 44 21 o 1.368000       2.360000      32.35173      89.1   
1 1 1 21 44 22 o 2.485000       2.378000      ?             ?      
1 1 1 21 44 23 o -0.2965000     1.588000      ?             ?      
1 1 1 21 44 24 o -1.828000      1.574000      ?             ?      
1 1 1 21 44 25 o 1.278000       1.605000      ?             ?      
1 1 1 21 44 26 o -0.4980000     1.582000      ?             ?      
1 1 1 21 44 27 o -1.332000      1.597000      ?             ?      
1 1 1 21 44 28 o 2.048000       1.632000      ?             ?      
1 1 1 21 44 29 o -2.382000      1.661000      ?             ?      
1 1 1 21 44 30 o -1.427000      1.646000      ?             ?      
1 1 1 21 44 31 o -0.9544000     1.347000      ?             ?      
1 1 1 21 44 32 o -0.1506000     1.322000      ?             ?      
1 1 1 21 44 33 o 0.3053000      1.300000      ?             ?      
1 1 1 21 44 34 o 0.7862000      1.298000      ?             ?      
1 1 1 21 44 35 o -1.417000      1.396000      ?             ?      
1 1 1 21 44 36 o -1.348000      1.191000      ?             ?      
1 1 1 21 44 37 o -0.9995000     1.193000      ?             ?      
1 1 1 21 44 38 o -0.4982000     1.292000      ?             ?      
1 1 1 21 44 39 o -1.030000      1.310000      ?             ?      
1 1 1 21 44 40 o 1.713000       1.189000      ?             ?      
1 1 1 21 44 41 o 1.436000       1.201000      ?             ?      
1 1 1 21 44 42 o -0.6403000     1.185000      ?             ?      
1 1 1 21 44 43 o 2.625000       1.194000      ?             ?      
1 1 1 21 44 44 o -0.8897000     1.246000      ?             ?      
1 1 1 21 44 45 o -1.144000      0.9679000     ?             ?      
1 1 1 21 44 46 o 0.7301000      1.076000      ?             ?      
1 1 1 21 44 47 o 1.277000       1.333000      ?             ?      
1 1 1 21 44 48 o -1.163000      1.078000      ?             ?      
1 1 1 21 44 49 o -1.100000      1.302000      ?             ?      
1 1 1 21 44 50 o 0.5132000      1.348000      ?             ?      
1 1 1 21 44 51 o -2.680000      2.233000      ?             ?      
1 1 1 21 45 0  o -1.369000      1.395000      22.78749      -90.0  
1 1 1 21 45 1  o 2.109000       1.181000      25.83793      94.2   
1 1 1 21 45 2  o 0.3436000      1.062000      38.17510      88.1   
1 1 1 21 45 3  o 2.903000       0.9511000     206.1816      5.5    
1 1 1 21 45 4  o 0.9905000      0.9409000     165.5120      147.1  
1 1 1 21 45 5  o -0.1746000     0.9311000     18.47023      35.0   
1 1 1 21 45 6  o 1.945000       0.9562000     94.17513      -83.7  
1 1 1 21 45 7  o 1.006000       1.019000      35.91599      87.6   
1 1 1 21 45 8  o 1.608000       1.052000      106.5052      30.5   
1 1 1 21 45 9  o 1.731000       1.209000      75.76884      18.9   
1 1 1 21 45 10 o 1.957000       1.243000      106.8645      -68.3  
1 1 1 21 45 11 o -0.7622000     1.326000      37.54678      -62.5  
1 1 1 21 45 12 o 1.930000       1.544000      53.76470      164.2  
1 1 1 21 45 13 o 0.3931000      1.311000      98.46941      -12.6  
1 1 1 21 45 14 o 0.4517000      1.341000      93.57515      -147.8 
1 1 1 21 45 15 o 0.1856000      1.547000      49.69452      -11.0  
1 1 1 21 45 16 o -1.109000      1.582000      35.23531      -131.1 
1 1 1 21 45 17 o -0.8098000     1.634000      88.91627      -150.1 
1 1 1 21 45 18 o 1.628000       1.599000      9.738815      -64.7  
1 1 1 21 45 19 o 0.8313000      1.595000      ?             ?      
1 1 1 21 45 20 o 4.177000       2.288000      ?             ?      
1 1 1 21 45 21 o -0.9249000     2.236000      ?             ?      
1 1 1 21 45 22 o -1.170000      1.565000      ?             ?      
1 1 1 21 45 23 o 2.540000       1.561000      ?             ?      
1 1 1 21 45 24 o 0.6688000      1.560000      ?             ?      
1 1 1 21 45 25 o 1.719000       1.571000      ?             ?      
1 1 1 21 45 26 o -0.1228000     1.566000      ?             ?      
1 1 1 21 45 27 o -1.270000      1.568000      ?             ?      
1 1 1 21 45 28 o 1.718000       1.592000      ?             ?      
1 1 1 21 45 29 o -1.808000      1.627000      ?             ?      
1 1 1 21 45 30 o 1.136000       1.623000      ?             ?      
1 1 1 21 45 31 o 0.3891000      1.617000      ?             ?      
1 1 1 21 45 32 o 0.2915000      1.336000      ?             ?      
1 1 1 21 45 33 o 0.2422000      1.330000      ?             ?      
1 1 1 21 45 34 o 0.2080000      1.478000      ?             ?      
1 1 1 21 45 35 o -0.5796000E-01 1.511000      ?             ?      
1 1 1 21 45 36 f -0.6703000E-01 1.268000      ?             ?      
1 1 1 21 45 37 o 0.2565000      1.374000      ?             ?      
1 1 1 21 45 38 o 1.324000       1.328000      ?             ?      
1 1 1 21 45 39 o -0.3251000     1.169000      ?             ?      
1 1 1 21 45 40 o -0.4108000     1.180000      ?             ?      
1 1 1 21 45 41 o 0.5388000E-01  1.212000      ?             ?      
1 1 1 21 45 42 o -2.563000      1.199000      ?             ?      
1 1 1 21 45 43 o -0.7122000E-01 1.219000      ?             ?      
1 1 1 21 45 44 o -1.823000      2.147000      ?             ?      
1 1 1 21 45 45 o -0.3461000     1.264000      ?             ?      
1 1 1 21 45 46 o -0.3202000     1.327000      ?             ?      
1 1 1 21 45 47 o 0.1568000      1.072000      ?             ?      
1 1 1 21 45 48 o -0.9545000     1.094000      ?             ?      
1 1 1 21 45 49 o -1.262000      1.094000      ?             ?      
1 1 1 21 46 0  o 1.488000       1.432000      161.3722      -90.0  
1 1 1 21 46 1  o -1.309000      1.175000      37.65490      151.0  
1 1 1 21 46 2  o -0.8556000     1.058000      117.6238      149.1  
1 1 1 21 46 3  o -0.9402000E-01 0.9207000     84.58389      -32.9  
1 1 1 21 46 4  o 0.6553000      1.035000      84.67221      36.4   
1 1 1 21 46 5  o -0.4949000E-01 1.005000      58.96517      47.8   
1 1 1 21 46 6  o 2.160000       1.019000      118.0658      99.3   
1 1 1 21 46 7  o 0.6675000      0.9567000     43.62456      -177.3 
1 1 1 21 46 8  o 2.578000       1.044000      183.6168      89.0   
1 1 1 21 46 9  o 1.294000       1.325000      115.2639      -47.7  
1 1 1 21 46 10 o 2.575000       1.214000      105.8646      175.6  
1 1 1 21 46 11 o 1.636000       1.208000      37.90741      -123.3 
1 1 1 21 46 12 o -0.2042000     1.276000      87.74699      62.4   
1 1 1 21 46 13 o 1.835000       1.304000      115.6357      -3.8   
1 1 1 21 46 14 o 1.789000       1.341000      123.8432      15.3   
1 1 1 21 46 15 o 1.597000       1.538000      163.2823      -59.4  
1 1 1 21 46 16 o -2.802000      1.540000      ?             ?      
1 1 1 21 46 17 o 0.2419000      1.600000      ?             ?      
1 1 1 21 46 18 o 0.5863000      1.537000      ?             ?      
1 1 1 21 46 19 o 0.9824000      1.560000      ?             ?      
1 1 1 21 46 20 o 2.305000       2.176000      ?             ?      
1 1 1 21 46 21 o -2.672000      2.178000      ?             ?      
1 1 1 21 46 22 o -0.4181000     1.558000      ?             ?      
1 1 1 21 46 23 o 1.208000       1.555000      ?             ?      
1 1 1 21 46 24 o -1.899000      1.531000      ?             ?      
1 1 1 21 46 25 f 1.460000       1.552000      ?             ?      
1 1 1 21 46 26 o -2.264000      1.535000      ?             ?      
1 1 1 21 46 27 o -1.620000      1.540000      ?             ?      
1 1 1 21 46 28 o -1.757000      1.545000      ?             ?      
1 1 1 21 46 29 o -0.9431000     1.547000      ?             ?      
1 1 1 21 46 30 o -0.2628000     1.579000      ?             ?      
1 1 1 21 46 31 o 1.383000       1.637000      ?             ?      
1 1 1 21 46 32 o 0.1500000      1.614000      ?             ?      
1 1 1 21 46 33 o 1.015000       1.375000      ?             ?      
1 1 1 21 46 34 o -0.3454000E-01 1.515000      ?             ?      
1 1 1 21 46 35 o 0.6614000      1.331000      ?             ?      
1 1 1 21 46 36 o -1.133000      1.302000      ?             ?      
1 1 1 21 46 37 o -0.1952000     1.435000      ?             ?      
1 1 1 21 46 38 o -1.644000      1.389000      ?             ?      
1 1 1 21 46 39 o 0.2931000      1.184000      ?             ?      
1 1 1 21 46 40 o -0.8012000     1.202000      ?             ?      
1 1 1 21 46 41 o -1.088000      1.193000      ?             ?      
1 1 1 21 46 42 o 0.5663000      1.213000      ?             ?      
1 1 1 21 46 43 o 1.991000       1.240000      ?             ?      
1 1 1 21 46 44 o -0.4603000     1.226000      ?             ?      
1 1 1 21 46 45 o -0.1115000     1.232000      ?             ?      
1 1 1 21 46 46 o -1.324000      2.149000      ?             ?      
1 1 1 21 46 47 o 0.8040000      1.342000      ?             ?      
1 1 1 21 46 48 o 0.6524000      1.272000      ?             ?      
1 1 1 21 47 0  o -0.7099000E-01 1.397000      153.5173      90.0   
1 1 1 21 47 1  o -0.7071000     1.093000      117.1364      115.8  
1 1 1 21 47 2  o 1.833000       1.046000      70.61575      -82.0  
1 1 1 21 47 3  o 1.459000       1.034000      153.4638      -3.5   
1 1 1 21 47 4  o 2.040000       0.9181000     133.1310      169.0  
1 1 1 21 47 5  o 1.644000       0.9587000     104.1735      101.1  
1 1 1 21 47 6  o -0.6390000     0.9857000     62.77604      107.9  
1 1 1 21 47 7  o -0.4739000     0.9389000     16.16447      -116.0 
1 1 1 21 47 8  o 1.052000       0.9638000     213.0847      17.4   
1 1 1 21 47 9  o 0.6697000      1.199000      139.3124      -136.2 
1 1 1 21 47 10 o -0.3515000     1.236000      81.07818      -3.1   
1 1 1 21 47 11 o -1.420000      1.217000      ?             ?      
1 1 1 21 47 12 o -2.198000      1.238000      ?             ?      
1 1 1 21 47 13 o -1.232000      1.268000      ?             ?      
1 1 1 21 47 14 o 3.067000       1.487000      ?             ?      
1 1 1 21 47 15 o 0.2645000      1.497000      ?             ?      
1 1 1 21 47 16 o 0.8285000      1.338000      ?             ?      
1 1 1 21 47 17 o 0.1852000      1.546000      ?             ?      
1 1 1 21 47 18 o -0.5744000E-01 1.558000      ?             ?      
1 1 1 21 47 19 o -3.119000      2.177000      ?             ?      
1 1 1 21 47 20 o 1.585000       2.184000      ?             ?      
1 1 1 21 47 21 o 0.6872000      1.536000      ?             ?      
1 1 1 21 47 22 o 3.275000       1.538000      ?             ?      
1 1 1 21 47 23 o 2.259000       1.547000      ?             ?      
1 1 1 21 47 24 o 1.141000       1.537000      ?             ?      
1 1 1 21 47 25 o 3.396000       1.567000      ?             ?      
1 1 1 21 47 26 o 0.9494000E-01  1.532000      ?             ?      
1 1 1 21 47 27 o -0.1686000     1.514000      ?             ?      
1 1 1 21 47 28 o -0.9801000     1.538000      ?             ?      
1 1 1 21 47 29 o 1.611000       1.537000      ?             ?      
1 1 1 21 47 30 o 0.6186000      1.544000      ?             ?      
1 1 1 21 47 31 o -0.5614000     1.566000      ?             ?      
1 1 1 21 47 32 o 2.384000       1.690000      ?             ?      
1 1 1 21 47 33 o 0.4365000      2.160000      ?             ?      
1 1 1 21 47 34 o -0.4845000     1.570000      ?             ?      
1 1 1 21 47 35 o -1.294000      1.355000      ?             ?      
1 1 1 21 47 36 o -0.6168000     1.515000      ?             ?      
1 1 1 21 47 37 o -0.1434000     1.484000      ?             ?      
1 1 1 21 47 38 o -0.7347000     1.262000      ?             ?      
1 1 1 21 47 39 o -0.2111000     1.279000      ?             ?      
1 1 1 21 47 40 o -1.155000      1.207000      ?             ?      
1 1 1 21 47 41 o 1.626000       1.227000      ?             ?      
1 1 1 21 47 42 o 0.2316000      1.220000      ?             ?      
1 1 1 21 47 43 o -0.2655000     1.230000      ?             ?      
1 1 1 21 47 44 o 0.7548000      1.245000      ?             ?      
1 1 1 21 47 45 o 0.3768000      1.223000      ?             ?      
1 1 1 21 47 46 o 0.5789000      1.242000      ?             ?      
1 1 1 21 47 47 o 0.8185000E-01  1.782000      ?             ?      
1 1 1 21 48 0  o 1.744000       1.859000      ?             ?      
1 1 1 21 48 1  o -1.114000      1.222000      ?             ?      
1 1 1 21 48 2  o -0.2970000     1.225000      ?             ?      
1 1 1 21 48 3  o 0.2488000      1.046000      ?             ?      
1 1 1 21 48 4  o -0.1452000     0.8960000     ?             ?      
1 1 1 21 48 5  o 2.143000       0.8995000     ?             ?      
1 1 1 21 48 6  o 1.095000       0.9596000     ?             ?      
1 1 1 21 48 7  f 0.1850000      1.036000      ?             ?      
1 1 1 21 48 8  o 1.167000       0.9938000     ?             ?      
1 1 1 21 48 9  o -0.3398000     1.171000      ?             ?      
1 1 1 21 48 10 o 0.2870000      1.186000      ?             ?      
1 1 1 21 48 11 o -0.5100000     1.171000      ?             ?      
1 1 1 21 48 12 o 1.421000       1.190000      ?             ?      
1 1 1 21 48 13 o 1.292000       1.423000      ?             ?      
1 1 1 21 48 14 o -0.6341000     1.426000      ?             ?      
1 1 1 21 48 15 o 0.6445000      1.474000      ?             ?      
1 1 1 21 48 16 o -0.3722000     1.304000      ?             ?      
1 1 1 21 48 17 o -1.216000      1.511000      ?             ?      
1 1 1 21 48 18 o 1.516000       1.603000      ?             ?      
1 1 1 21 48 19 o -0.2688000     2.145000      ?             ?      
1 1 1 21 48 20 o 2.274000       2.121000      ?             ?      
1 1 1 21 48 21 o -1.351000      1.495000      ?             ?      
1 1 1 21 48 22 o 0.4197000      1.491000      ?             ?      
1 1 1 21 48 23 o 0.9612000      1.504000      ?             ?      
1 1 1 21 48 24 o -0.7363000     1.497000      ?             ?      
1 1 1 21 48 25 o 1.569000       1.534000      ?             ?      
1 1 1 21 48 26 o 3.259000       1.551000      ?             ?      
1 1 1 21 48 27 o -0.8717000     1.533000      ?             ?      
1 1 1 21 48 28 o 0.4724000      1.517000      ?             ?      
1 1 1 21 48 29 o 0.4687000      1.537000      ?             ?      
1 1 1 21 48 30 o -1.718000      1.526000      ?             ?      
1 1 1 21 48 31 o -0.1383000     1.535000      ?             ?      
1 1 1 21 48 32 o -0.5745000     2.075000      ?             ?      
1 1 1 21 48 33 o 2.232000       2.201000      ?             ?      
1 1 1 21 48 34 o 0.4339000      1.732000      ?             ?      
1 1 1 21 48 35 o 1.790000       1.385000      ?             ?      
1 1 1 21 48 36 o -0.8579000     1.552000      ?             ?      
1 1 1 21 48 37 o 1.657000       1.541000      ?             ?      
1 1 1 21 48 38 o -2.577000      1.337000      ?             ?      
1 1 1 21 48 39 o 1.430000       1.290000      ?             ?      
1 1 1 21 48 40 o 0.5231000      1.295000      ?             ?      
1 1 1 21 48 41 o 4.054000       1.315000      ?             ?      
1 1 1 21 48 42 o 4.136000       1.264000      ?             ?      
1 1 1 21 48 43 o -0.7637000     1.086000      ?             ?      
1 1 1 21 48 44 o 1.728000       1.248000      ?             ?      
1 1 1 21 48 45 o -0.3441000     1.229000      ?             ?      
1 1 1 21 49 0  o 3.763000       1.376000      ?             ?      
1 1 1 21 49 1  o 0.6180000      0.9639000     ?             ?      
1 1 1 21 49 2  o 3.520000       1.138000      ?             ?      
1 1 1 21 49 3  o 0.8568000      1.037000      ?             ?      
1 1 1 21 49 4  o 3.212000       1.186000      ?             ?      
1 1 1 21 49 5  o -0.7840000     1.045000      ?             ?      
1 1 1 21 49 6  o 0.4075000      0.8885000     ?             ?      
1 1 1 21 49 7  o 1.014000       1.113000      ?             ?      
1 1 1 21 49 8  o 0.3770000      1.164000      ?             ?      
1 1 1 21 49 9  o -1.156000      1.146000      ?             ?      
1 1 1 21 49 10 o 2.337000       1.172000      ?             ?      
1 1 1 21 49 11 o 0.7401000      1.155000      ?             ?      
1 1 1 21 49 12 o -0.8335000     1.155000      ?             ?      
1 1 1 21 49 13 o 0.1577000      1.401000      ?             ?      
1 1 1 21 49 14 o 0.5383000      1.443000      ?             ?      
1 1 1 21 49 15 o -0.9052000E-01 1.273000      ?             ?      
1 1 1 21 49 16 o 0.7560000      1.504000      ?             ?      
1 1 1 21 49 17 o 2.858000       1.550000      ?             ?      
1 1 1 21 49 18 o 3.562000       2.157000      ?             ?      
1 1 1 21 49 19 o 3.826000       2.177000      ?             ?      
1 1 1 21 49 20 o 0.4616000      1.494000      ?             ?      
1 1 1 21 49 21 o 0.7639000      1.470000      ?             ?      
1 1 1 21 49 22 o -1.695000      1.470000      ?             ?      
1 1 1 21 49 23 o -0.8077000     1.467000      ?             ?      
1 1 1 21 49 24 o -0.6315000     1.472000      ?             ?      
1 1 1 21 49 25 o 2.193000       1.522000      ?             ?      
1 1 1 21 49 26 o 1.007000       1.517000      ?             ?      
1 1 1 21 49 27 o 0.7010000      1.522000      ?             ?      
1 1 1 21 49 28 o 0.3267000      1.562000      ?             ?      
1 1 1 21 49 29 o 1.097000       1.577000      ?             ?      
1 1 1 21 49 30 o -0.3858000     1.531000      ?             ?      
1 1 1 21 49 31 o -2.371000      1.572000      ?             ?      
1 1 1 21 49 32 o -2.211000      2.163000      ?             ?      
1 1 1 21 49 33 o -2.230000      1.579000      ?             ?      
1 1 1 21 49 34 o -0.7133000     1.583000      ?             ?      
1 1 1 21 49 35 o 0.1758000      2.325000      ?             ?      
1 1 1 21 49 36 o 0.3733000      2.256000      ?             ?      
1 1 1 21 49 37 o -1.071000      1.367000      ?             ?      
1 1 1 21 49 38 f 0.1546000      1.363000      ?             ?      
1 1 1 21 49 39 o 0.5611000      1.370000      ?             ?      
1 1 1 21 49 40 o -0.5077000     1.319000      ?             ?      
1 1 1 21 49 41 o -0.9669000     1.309000      ?             ?      
1 1 1 21 49 42 o 1.224000       1.369000      ?             ?      
1 1 1 21 49 43 o 0.7210000      1.279000      ?             ?      
1 1 1 21 49 44 o -2.389000      1.703000      ?             ?      
1 1 1 21 50 0  o -1.446000      1.343000      ?             ?      
1 1 1 21 50 1  o 0.6019000      0.9770000     ?             ?      
1 1 1 21 50 2  o 0.6178000      1.019000      ?             ?      
1 1 1 21 50 3  o 0.3559000      0.9667000     ?             ?      
1 1 1 21 50 4  o 2.522000       1.041000      ?             ?      
1 1 1 21 50 5  o 0.7348000      1.023000      ?             ?      
1 1 1 21 50 6  o -1.370000      0.8640000     ?             ?      
1 1 1 21 50 7  o 1.027000       0.9505000     ?             ?      
1 1 1 21 50 8  o -0.8072000     0.9695000     ?             ?      
1 1 1 21 50 9  o -0.4415000     1.147000      ?             ?      
1 1 1 21 50 10 o 0.3894000      1.158000      ?             ?      
1 1 1 21 50 11 o 1.639000       1.150000      ?             ?      
1 1 1 21 50 12 o 2.577000       1.422000      ?             ?      
1 1 1 21 50 13 f 0.9242000      1.377000      ?             ?      
1 1 1 21 50 14 o 0.7447000      1.255000      ?             ?      
1 1 1 21 50 15 o 1.293000       1.233000      ?             ?      
1 1 1 21 50 16 o 0.2540000E-01  1.472000      ?             ?      
1 1 1 21 50 17 o 0.9850000      1.514000      ?             ?      
1 1 1 21 50 18 o -0.9767000     2.079000      ?             ?      
1 1 1 21 50 19 o 1.130000       2.081000      ?             ?      
1 1 1 21 50 20 o 2.513000       1.485000      ?             ?      
1 1 1 21 50 21 o 0.2353000E-02  1.486000      ?             ?      
1 1 1 21 50 22 o -0.2415000     1.467000      ?             ?      
1 1 1 21 50 23 o 2.371000       1.522000      ?             ?      
1 1 1 21 50 24 o 1.282000       1.518000      ?             ?      
1 1 1 21 50 25 o -0.4293000     1.482000      ?             ?      
1 1 1 21 50 26 o 1.791000       1.533000      ?             ?      
1 1 1 21 50 27 o -0.7319000E-01 1.500000      ?             ?      
1 1 1 21 50 28 o -1.549000      1.525000      ?             ?      
1 1 1 21 50 29 o 0.6862000      0.9781000     ?             ?      
1 1 1 21 50 30 o -0.2835000     1.553000      ?             ?      
1 1 1 21 50 31 o 0.3907000      2.120000      ?             ?      
1 1 1 21 50 32 o 0.6436000      2.074000      ?             ?      
1 1 1 21 50 33 o 0.3713000      1.628000      ?             ?      
1 1 1 21 50 34 o 1.717000       1.643000      ?             ?      
1 1 1 21 50 35 o -0.1381000     2.279000      ?             ?      
1 1 1 21 50 36 o 1.889000       2.342000      ?             ?      
1 1 1 21 50 37 o 2.659000       1.833000      ?             ?      
1 1 1 21 50 38 o 1.682000       1.382000      ?             ?      
1 1 1 21 50 39 o 0.5344000      1.378000      ?             ?      
1 1 1 21 50 40 o -0.9281000     1.369000      ?             ?      
1 1 1 21 50 41 o 0.3592000      1.335000      ?             ?      
1 1 1 21 50 42 o 2.226000       1.771000      ?             ?      
1 1 1 21 50 43 < 0.000000       -1.000000     ?             ?      
1 1 1 21 51 0  o -0.8909000     1.184000      ?             ?      
1 1 1 21 51 1  o 0.4034000      0.9566000     ?             ?      
1 1 1 21 51 2  o -0.4201000     1.751000      ?             ?      
1 1 1 21 51 3  o 0.8979000      1.037000      ?             ?      
1 1 1 21 51 4  o 0.5679000      0.9289000     ?             ?      
1 1 1 21 51 5  o -0.5479000     0.8229000     ?             ?      
1 1 1 21 51 6  o -0.6184000     0.8445000     ?             ?      
1 1 1 21 51 7  o 0.9291000      0.9578000     ?             ?      
1 1 1 21 51 8  o -0.3702000E-01 0.9299000     ?             ?      
1 1 1 21 51 9  o 0.4424000      1.337000      ?             ?      
1 1 1 21 51 10 o 1.287000       1.167000      ?             ?      
1 1 1 21 51 11 o 2.122000       1.182000      ?             ?      
1 1 1 21 51 12 o 0.2073000      1.400000      ?             ?      
1 1 1 21 51 13 o 1.117000       1.346000      ?             ?      
1 1 1 21 51 14 o -0.9324000     1.248000      ?             ?      
1 1 1 21 51 15 o -0.4247000     1.211000      ?             ?      
1 1 1 21 51 16 o -0.4543000     1.474000      ?             ?      
1 1 1 21 51 17 o -0.4106000     1.513000      ?             ?      
1 1 1 21 51 18 o 2.642000       2.126000      ?             ?      
1 1 1 21 51 19 o 1.250000       1.484000      ?             ?      
1 1 1 21 51 20 o -0.3144000     1.498000      ?             ?      
1 1 1 21 51 21 o 4.722000       1.536000      ?             ?      
1 1 1 21 51 22 o 1.158000       1.516000      ?             ?      
1 1 1 21 51 23 o 1.212000       1.510000      ?             ?      
1 1 1 21 51 24 o 0.7190000      1.499000      ?             ?      
1 1 1 21 51 25 o 4.802000       1.522000      ?             ?      
1 1 1 21 51 26 o -0.5529000     1.503000      ?             ?      
1 1 1 21 51 27 o 3.333000       2.094000      ?             ?      
1 1 1 21 51 28 o 0.7031000      1.530000      ?             ?      
1 1 1 21 51 29 o 0.6077000      1.524000      ?             ?      
1 1 1 21 51 30 o -1.694000      2.116000      ?             ?      
1 1 1 21 51 31 o 3.124000       2.149000      ?             ?      
1 1 1 21 51 32 o 0.2798000      1.615000      ?             ?      
1 1 1 21 51 33 o 1.203000       1.632000      ?             ?      
1 1 1 21 51 34 o -2.246000      2.307000      ?             ?      
1 1 1 21 51 35 o -0.4516000     2.259000      ?             ?      
1 1 1 21 51 36 o 1.513000       1.047000      ?             ?      
1 1 1 21 51 37 o -0.1333000     1.680000      ?             ?      
1 1 1 21 51 38 o 1.197000       3.172000      ?             ?      
1 1 1 21 51 39 o 0.7379000      1.515000      ?             ?      
1 1 1 21 51 40 o -0.8953000     1.452000      ?             ?      
1 1 1 21 51 41 o 3.344000       1.803000      ?             ?      
1 1 1 21 52 0  o 0.3514000      1.155000      ?             ?      
1 1 1 21 52 1  o 1.207000       0.9724000     ?             ?      
1 1 1 21 52 2  o 0.2110000      1.054000      ?             ?      
1 1 1 21 52 3  o -0.1529000E-01 0.9336000     ?             ?      
1 1 1 21 52 4  o 2.034000       0.9229000     ?             ?      
1 1 1 21 52 5  o 0.9132000      0.8414000     ?             ?      
1 1 1 21 52 6  o 0.5587000      0.8473000     ?             ?      
1 1 1 21 52 7  o 0.7050000      0.9409000     ?             ?      
1 1 1 21 52 8  o 0.4029000      1.119000      ?             ?      
1 1 1 21 52 9  o -1.347000      1.115000      ?             ?      
1 1 1 21 52 10 o -1.293000      1.376000      ?             ?      
1 1 1 21 52 11 o 0.8842000      1.837000      ?             ?      
1 1 1 21 52 12 o 0.4019000      1.853000      ?             ?      
1 1 1 21 52 13 o -2.228000      1.152000      ?             ?      
1 1 1 21 52 14 o -1.384000      1.208000      ?             ?      
1 1 1 21 52 15 o -0.2753000     1.242000      ?             ?      
1 1 1 21 52 16 o -1.225000      1.477000      ?             ?      
1 1 1 21 52 17 o -0.2726000     2.075000      ?             ?      
1 1 1 21 52 18 o -0.6281000E-01 2.061000      ?             ?      
1 1 1 21 52 19 o -1.999000      1.457000      ?             ?      
1 1 1 21 52 20 o 2.458000       1.494000      ?             ?      
1 1 1 21 52 21 o 1.029000       1.495000      ?             ?      
1 1 1 21 52 22 o -1.039000      1.483000      ?             ?      
1 1 1 21 52 23 o 1.263000       1.500000      ?             ?      
1 1 1 21 52 24 o 1.261000       1.514000      ?             ?      
1 1 1 21 52 25 o 2.597000       1.494000      ?             ?      
1 1 1 21 52 26 o 2.101000       1.542000      ?             ?      
1 1 1 21 52 27 o 0.6482000      1.541000      ?             ?      
1 1 1 21 52 28 o 1.255000       1.512000      ?             ?      
1 1 1 21 52 29 o 1.976000       1.569000      ?             ?      
1 1 1 21 52 30 o 2.597000       2.182000      ?             ?      
1 1 1 21 52 31 o 0.8330000      2.197000      ?             ?      
1 1 1 21 52 32 o -1.582000      1.601000      ?             ?      
1 1 1 21 52 33 o 4.507000       1.667000      ?             ?      
1 1 1 21 52 34 o 3.878000       2.306000      ?             ?      
1 1 1 21 52 35 o -4.468000      2.262000      ?             ?      
1 1 1 21 52 36 o 0.3454000      1.047000      ?             ?      
1 1 1 21 52 37 o -1.561000      1.040000      ?             ?      
1 1 1 21 52 38 o 0.4371000      1.708000      ?             ?      
1 1 1 21 52 39 o -0.3634000     1.777000      ?             ?      
1 1 1 21 53 0  o 1.403000       1.125000      ?             ?      
1 1 1 21 53 1  o 0.4201000      0.8352000     ?             ?      
1 1 1 21 53 2  o 0.7562000      0.8468000     ?             ?      
1 1 1 21 53 3  o -0.1370000     0.9405000     ?             ?      
1 1 1 21 53 4  o -0.8499000E-01 0.8900000     ?             ?      
1 1 1 21 53 5  o -1.014000      0.8655000     ?             ?      
1 1 1 21 53 6  o 3.337000       0.9120000     ?             ?      
1 1 1 21 53 7  o 0.9403000      0.9193000     ?             ?      
1 1 1 21 53 8  o 0.2858000      1.148000      ?             ?      
1 1 1 21 53 9  o 2.593000       1.328000      ?             ?      
1 1 1 21 53 10 o 1.130000       1.314000      ?             ?      
1 1 1 21 53 11 o -1.456000      1.316000      ?             ?      
1 1 1 21 53 12 o 1.270000       1.320000      ?             ?      
1 1 1 21 53 13 o -0.8489000     1.140000      ?             ?      
1 1 1 21 53 14 o -0.5585000     1.408000      ?             ?      
1 1 1 21 53 15 o 0.1766000      1.422000      ?             ?      
1 1 1 21 53 16 o 0.4457000      2.050000      ?             ?      
1 1 1 21 53 17 o 2.063000       2.113000      ?             ?      
1 1 1 21 53 18 o -0.8843000     2.124000      ?             ?      
1 1 1 21 53 19 o -0.1443000     1.475000      ?             ?      
1 1 1 21 53 20 o -0.3810000     1.483000      ?             ?      
1 1 1 21 53 21 o 1.753000       1.500000      ?             ?      
1 1 1 21 53 22 o -2.279000      1.491000      ?             ?      
1 1 1 21 53 23 o -0.3746000     1.487000      ?             ?      
1 1 1 21 53 24 o -0.6938000E-01 1.488000      ?             ?      
1 1 1 21 53 25 o 1.405000       1.504000      ?             ?      
1 1 1 21 53 26 o -0.4572000     1.512000      ?             ?      
1 1 1 21 53 27 o -1.421000      1.538000      ?             ?      
1 1 1 21 53 28 o -0.1556000     1.545000      ?             ?      
1 1 1 21 53 29 o 0.6851000      2.142000      ?             ?      
1 1 1 21 53 30 o 0.1377000      2.174000      ?             ?      
1 1 1 21 53 31 o 2.492000       1.648000      ?             ?      
1 1 1 21 53 32 o 2.647000       1.655000      ?             ?      
1 1 1 21 53 33 o 3.056000       4.398000      ?             ?      
1 1 1 21 53 34 o 1.292000       2.324000      ?             ?      
1 1 1 21 53 35 o 3.632000       1.719000      ?             ?      
1 1 1 21 53 36 o -0.7833000E-01 1.691000      ?             ?      
1 1 1 21 53 37 o -1.496000      3.176000      ?             ?      
1 1 1 21 54 0  o -0.7457000     1.104000      ?             ?      
1 1 1 21 54 1  o 0.5987000      0.8266000     ?             ?      
1 1 1 21 54 2  o 0.5825000      0.8264000     ?             ?      
1 1 1 21 54 3  o -0.6635000     0.9179000     ?             ?      
1 1 1 21 54 4  o -0.5906000     0.8758000     ?             ?      
1 1 1 21 54 5  o -0.5755000E-01 0.7899000     ?             ?      
1 1 1 21 54 6  o 0.6181000      0.8058000     ?             ?      
1 1 1 21 54 7  o -0.1140000     0.9006000     ?             ?      
1 1 1 21 54 8  o 0.6309000      1.165000      ?             ?      
1 1 1 21 54 9  o -0.1011000     1.131000      ?             ?      
1 1 1 21 54 10 o 2.576000       1.318000      ?             ?      
1 1 1 21 54 11 o -3.639000      1.315000      ?             ?      
1 1 1 21 54 12 o -0.9977000     1.308000      ?             ?      
1 1 1 21 54 13 o 1.884000       1.319000      ?             ?      
1 1 1 21 54 14 o -0.1958000     1.344000      ?             ?      
1 1 1 21 54 15 o -0.7489000     1.228000      ?             ?      
1 1 1 21 54 16 o -2.416000      2.063000      ?             ?      
1 1 1 21 54 17 o -0.7484000     2.055000      ?             ?      
1 1 1 21 54 18 o -0.3976000     2.099000      ?             ?      
1 1 1 21 54 19 o 2.263000       2.094000      ?             ?      
1 1 1 21 54 20 o 1.608000       2.158000      ?             ?      
1 1 1 21 54 21 o -0.9059000     1.468000      ?             ?      
1 1 1 21 54 22 o 0.4773000      1.481000      ?             ?      
1 1 1 21 54 23 o 1.217000       1.511000      ?             ?      
1 1 1 21 54 24 o 3.055000       1.549000      ?             ?      
1 1 1 21 54 25 o 0.7651000      1.536000      ?             ?      
1 1 1 21 54 26 f 1.446000       1.562000      ?             ?      
1 1 1 21 54 27 o 0.3190000      1.544000      ?             ?      
1 1 1 21 54 28 o 1.219000       1.613000      ?             ?      
1 1 1 21 54 29 o 1.399000       2.143000      ?             ?      
1 1 1 21 54 30 o -0.6238000     1.635000      ?             ?      
1 1 1 21 54 31 o 2.101000       1.695000      ?             ?      
1 1 1 21 54 32 o -0.8156000     1.723000      ?             ?      
1 1 1 21 54 33 o -2.100000      1.421000      ?             ?      
1 1 1 21 54 34 o -3.129000      2.420000      ?             ?      
1 1 1 21 54 35 o 7.576000       3.219000      ?             ?      
1 1 1 21 55 0  o 0.3247000      1.100000      ?             ?      
1 1 1 21 55 1  o -1.136000      0.8192000     ?             ?      
1 1 1 21 55 2  f -0.6725000     0.8173000     ?             ?      
1 1 1 21 55 3  f 1.573000       0.9121000     ?             ?      
1 1 1 21 55 4  o 0.4314000      0.8757000     ?             ?      
1 1 1 21 55 5  o -0.5993000     0.7845000     ?             ?      
1 1 1 21 55 6  o 0.8539000E-01  0.7853000     ?             ?      
1 1 1 21 55 7  o 1.955000       0.9071000     ?             ?      
1 1 1 21 55 8  o 0.6441000      1.152000      ?             ?      
1 1 1 21 55 9  o 0.9133000      1.157000      ?             ?      
1 1 1 21 55 10 o -0.4535000     1.289000      ?             ?      
1 1 1 21 55 11 o 0.7839000      1.335000      ?             ?      
1 1 1 21 55 12 o 0.7461000      1.141000      ?             ?      
1 1 1 21 55 13 o 0.9206000      1.145000      ?             ?      
1 1 1 21 55 14 o -0.6611000E-01 1.155000      ?             ?      
1 1 1 21 55 15 o -1.906000      1.217000      ?             ?      
1 1 1 21 55 16 o 0.4896000      1.164000      ?             ?      
1 1 1 21 55 17 o -1.329000      1.139000      ?             ?      
1 1 1 21 55 18 o -1.279000      1.904000      ?             ?      
1 1 1 21 55 19 o -2.427000      1.477000      ?             ?      
1 1 1 21 55 20 o -2.942000      1.473000      ?             ?      
1 1 1 21 55 21 o 0.2193000      2.093000      ?             ?      
1 1 1 21 55 22 o -2.859000      2.124000      ?             ?      
1 1 1 21 55 23 o -1.032000      2.159000      ?             ?      
1 1 1 21 55 24 o -1.573000      2.199000      ?             ?      
1 1 1 21 55 25 o 1.843000       1.580000      ?             ?      
1 1 1 21 55 26 o -1.661000      1.546000      ?             ?      
1 1 1 21 55 27 o 0.3450000      1.598000      ?             ?      
1 1 1 21 55 28 o 1.394000       2.267000      ?             ?      
1 1 1 21 55 29 o 0.1235000      2.290000      ?             ?      
1 1 1 21 55 30 o -0.7412000     1.728000      ?             ?      
1 1 1 21 55 31 o -0.3745000     1.719000      ?             ?      
1 1 1 21 55 32 o 3.226000       2.418000      ?             ?      
1 1 1 21 55 33 o 1.206000       2.333000      ?             ?      
1 1 1 21 56 0  o 0.9350000      1.098000      ?             ?      
1 1 1 21 56 1  o -2.102000      0.8120000     ?             ?      
1 1 1 21 56 2  o -0.5407000     0.8338000     ?             ?      
1 1 1 21 56 3  o 0.6803000      0.9062000     ?             ?      
1 1 1 21 56 4  o -0.2423000     0.8601000     ?             ?      
1 1 1 21 56 5  o -0.1682000     0.7823000     ?             ?      
1 1 1 21 56 6  o 1.375000       0.7915000     ?             ?      
1 1 1 21 56 7  o 1.207000       0.9028000     ?             ?      
1 1 1 21 56 8  o 0.9493000      1.147000      ?             ?      
1 1 1 21 56 9  o -2.215000      1.310000      ?             ?      
1 1 1 21 56 10 o 0.7954000      1.296000      ?             ?      
1 1 1 21 56 11 o 0.3310000      1.157000      ?             ?      
1 1 1 21 56 12 o 0.6832000      1.147000      ?             ?      
1 1 1 21 56 13 o -0.1356000     1.131000      ?             ?      
1 1 1 21 56 14 o -1.886000      1.163000      ?             ?      
1 1 1 21 56 15 o 1.527000       1.454000      ?             ?      
1 1 1 21 56 16 o 1.025000       2.123000      ?             ?      
1 1 1 21 56 17 o -0.3870000     1.507000      ?             ?      
1 1 1 21 56 18 o 1.679000       1.486000      ?             ?      
1 1 1 21 56 19 o -0.2218000     1.510000      ?             ?      
1 1 1 21 56 20 o -2.291000      1.987000      ?             ?      
1 1 1 21 56 21 o 0.3324000      2.018000      ?             ?      
1 1 1 21 56 22 o -0.8107000     2.003000      ?             ?      
1 1 1 21 56 23 o 1.006000       1.570000      ?             ?      
1 1 1 21 56 24 o 0.8208000      1.548000      ?             ?      
1 1 1 21 56 25 o 3.189000       2.178000      ?             ?      
1 1 1 21 56 26 o -1.336000      2.252000      ?             ?      
1 1 1 21 56 27 o 0.1996000      1.390000      ?             ?      
1 1 1 21 56 28 o -1.106000      1.410000      ?             ?      
1 1 1 21 56 29 o 1.467000       1.658000      ?             ?      
1 1 1 21 56 30 o -0.3291000     1.638000      ?             ?      
1 1 1 21 56 31 o 1.377000       1.702000      ?             ?      
1 1 1 21 57 0  o -1.216000      1.089000      ?             ?      
1 1 1 21 57 1  o 0.9626000      0.7918000     ?             ?      
1 1 1 21 57 2  o 1.601000       0.8523000     ?             ?      
1 1 1 21 57 3  o 0.6370000      0.9145000     ?             ?      
1 1 1 21 57 4  o 0.9005000      0.8720000     ?             ?      
1 1 1 21 57 5  o 0.8917000      0.7905000     ?             ?      
1 1 1 21 57 6  o 0.3422000      0.7928000     ?             ?      
1 1 1 21 57 7  o -0.7019000     0.8866000     ?             ?      
1 1 1 21 57 8  o 0.8402000      1.170000      ?             ?      
1 1 1 21 57 9  o -2.024000      1.293000      ?             ?      
1 1 1 21 57 10 o 0.5995000      1.300000      ?             ?      
1 1 1 21 57 11 o 0.1598000      1.148000      ?             ?      
1 1 1 21 57 12 o -1.346000      1.119000      ?             ?      
1 1 1 21 57 13 o 2.987000       1.142000      ?             ?      
1 1 1 21 57 14 o 0.5218000      1.173000      ?             ?      
1 1 1 21 57 15 o -2.492000      2.098000      ?             ?      
1 1 1 21 57 16 o -0.5737000     2.098000      ?             ?      
1 1 1 21 57 17 o 0.5915000      1.489000      ?             ?      
1 1 1 21 57 18 o 2.153000       1.176000      ?             ?      
1 1 1 21 57 19 o -0.4597000E-01 1.483000      ?             ?      
1 1 1 21 57 20 o -1.106000      1.505000      ?             ?      
1 1 1 21 57 21 o 1.161000       1.528000      ?             ?      
1 1 1 21 57 22 o -1.922000      1.502000      ?             ?      
1 1 1 21 57 23 o 0.5338000      1.569000      ?             ?      
1 1 1 21 57 24 o 0.8566000      1.378000      ?             ?      
1 1 1 21 57 25 o 0.4218000      1.380000      ?             ?      
1 1 1 21 57 26 o -1.508000      2.152000      ?             ?      
1 1 1 21 57 27 o -0.4355000     4.086000      ?             ?      
1 1 1 21 57 28 o 2.806000       2.224000      ?             ?      
1 1 1 21 57 29 o 3.539000       2.423000      ?             ?      
1 1 1 21 58 0  o -1.244000      1.095000      ?             ?      
1 1 1 21 58 1  o 0.6064000      0.7897000     ?             ?      
1 1 1 21 58 2  o -0.3841000E-01 0.8218000     ?             ?      
1 1 1 21 58 3  o -1.122000      0.9090000     ?             ?      
1 1 1 21 58 4  o 1.188000       0.8677000     ?             ?      
1 1 1 21 58 5  o -0.5719000     0.7934000     ?             ?      
1 1 1 21 58 6  o -0.5163000     0.7940000     ?             ?      
1 1 1 21 58 7  o -0.2114000     0.9018000     ?             ?      
1 1 1 21 58 8  o 0.8867000      1.293000      ?             ?      
1 1 1 21 58 9  o 0.5958000      1.302000      ?             ?      
1 1 1 21 58 10 f 1.006000       1.126000      ?             ?      
1 1 1 21 58 11 o -1.352000      1.121000      ?             ?      
1 1 1 21 58 12 o 0.1207000      1.119000      ?             ?      
1 1 1 21 58 13 o 2.635000       1.150000      ?             ?      
1 1 1 21 58 14 o -1.412000      1.179000      ?             ?      
1 1 1 21 58 15 o -0.9138000     2.072000      ?             ?      
1 1 1 21 58 16 o 2.592000       2.062000      ?             ?      
1 1 1 21 58 17 o 1.382000       1.485000      ?             ?      
1 1 1 21 58 18 o 2.190000       1.501000      ?             ?      
1 1 1 21 58 19 o 1.517000       1.472000      ?             ?      
1 1 1 21 58 20 o -1.482000      1.481000      ?             ?      
1 1 1 21 58 21 o 1.889000       1.503000      ?             ?      
1 1 1 21 58 22 o 1.355000       1.556000      ?             ?      
1 1 1 21 58 23 o 0.8226000      1.680000      ?             ?      
1 1 1 21 58 24 o 2.973000       1.686000      ?             ?      
1 1 1 21 58 25 o 0.3601000      1.617000      ?             ?      
1 1 1 21 58 26 o -0.8647000     1.143000      ?             ?      
1 1 1 21 59 0  o 0.1093000      1.114000      ?             ?      
1 1 1 21 59 1  o 0.4050000E-01  0.7937000     ?             ?      
1 1 1 21 59 2  o -0.4424000     0.8183000     ?             ?      
1 1 1 21 59 3  o -1.946000      0.9090000     ?             ?      
1 1 1 21 59 4  o -0.6960000     0.8714000     ?             ?      
1 1 1 21 59 5  o 1.085000       0.8641000     ?             ?      
1 1 1 21 59 6  o 1.237000       0.7948000     ?             ?      
1 1 1 21 59 7  o -1.125000      0.9130000     ?             ?      
1 1 1 21 59 8  o 0.6018000      1.274000      ?             ?      
1 1 1 21 59 9  o -0.5582000     1.314000      ?             ?      
1 1 1 21 59 10 o -0.9259000     1.122000      ?             ?      
1 1 1 21 59 11 o -0.3790000     2.070000      ?             ?      
1 1 1 21 59 12 o -0.4721000     1.137000      ?             ?      
1 1 1 21 59 13 o 1.317000       1.169000      ?             ?      
1 1 1 21 59 14 o 0.1738000      1.409000      ?             ?      
1 1 1 21 59 15 o 0.3615000      2.074000      ?             ?      
1 1 1 21 59 16 o 0.8261000      1.497000      ?             ?      
1 1 1 21 59 17 o -0.6196000E-01 1.506000      ?             ?      
1 1 1 21 59 18 o -2.065000      1.491000      ?             ?      
1 1 1 21 59 19 o -0.4690000     0.9673000     ?             ?      
1 1 1 21 59 20 o 0.7110000      1.498000      ?             ?      
1 1 1 21 59 21 o -1.141000      1.519000      ?             ?      
1 1 1 21 59 22 o -2.570000      2.242000      ?             ?      
1 1 1 21 59 23 o -6.565000      4.277000      ?             ?      
1 1 1 21 60 0  o -1.040000      1.109000      ?             ?      
1 1 1 21 60 1  o -0.4620000     0.7947000     ?             ?      
1 1 1 21 60 2  o -0.8341000     0.8303000     ?             ?      
1 1 1 21 60 3  o 0.9456000      0.9293000     ?             ?      
1 1 1 21 60 4  o 0.1133000E-02  0.8791000     ?             ?      
1 1 1 21 60 5  o 0.8002000      0.8699000     ?             ?      
1 1 1 21 60 6  o -0.8423000     0.8006000     ?             ?      
1 1 1 21 60 7  o 0.8882000      0.9403000     ?             ?      
1 1 1 21 60 8  o 0.4905000      1.292000      ?             ?      
1 1 1 21 60 9  o -0.3449000     1.168000      ?             ?      
1 1 1 21 60 10 o 1.679000       1.138000      ?             ?      
1 1 1 21 60 11 o 0.9889000      1.157000      ?             ?      
1 1 1 21 60 12 o -0.2206000     1.145000      ?             ?      
1 1 1 21 60 13 f 1.463000       1.215000      ?             ?      
1 1 1 21 60 14 o -2.388000      1.421000      ?             ?      
1 1 1 21 60 15 o -0.5551000     2.115000      ?             ?      
1 1 1 21 60 16 o 0.9885000      1.503000      ?             ?      
1 1 1 21 60 17 o 0.9198000      2.809000      ?             ?      
1 1 1 21 60 18 o -4.324000      4.000000      ?             ?      
1 1 1 21 60 19 o 0.3641000      2.157000      ?             ?      
1 1 1 21 61 0  o -0.7117000     1.448000      ?             ?      
1 1 1 21 61 1  o 0.5049000      1.124000      ?             ?      
1 1 1 21 61 2  o 0.3892000      0.8393000     ?             ?      
1 1 1 21 61 3  o -0.5524000     0.8459000     ?             ?      
1 1 1 21 61 4  o -0.1271000     0.9179000     ?             ?      
1 1 1 21 61 5  o 0.1702000      0.8702000     ?             ?      
1 1 1 21 61 6  o 0.9885000      0.8269000     ?             ?      
1 1 1 21 61 7  o -1.001000      0.8660000     ?             ?      
1 1 1 21 61 8  o 0.4520000      1.309000      ?             ?      
1 1 1 21 61 9  o -0.5110000     1.170000      ?             ?      
1 1 1 21 61 10 o -0.7616000     1.385000      ?             ?      
1 1 1 21 61 11 o 0.3257000      1.393000      ?             ?      
1 1 1 21 61 12 o 0.8596000      2.079000      ?             ?      
1 1 1 21 61 13 o -0.2740000     2.084000      ?             ?      
1 1 1 21 61 14 o 0.2471000      0.9883000     ?             ?      
1 1 1 21 61 15 o -0.8090000     2.432000      ?             ?      
1 1 1 21 62 0  o -1.316000      1.754000      ?             ?      
1 1 1 21 62 1  o -0.1769000E-01 1.248000      ?             ?      
1 1 1 21 62 2  o -0.4367000     0.9114000     ?             ?      
1 1 1 21 62 3  o -0.9914000     0.9191000     ?             ?      
1 1 1 21 62 4  o 0.5018000      1.033000      ?             ?      
1 1 1 21 62 5  o -0.7527000     1.022000      ?             ?      
1 1 1 21 62 6  o 0.4894000      1.050000      ?             ?      
1 1 1 21 62 7  < 0.000000       -1.000000     ?             ?      
1 1 1 21 62 8  o 0.3794000      1.505000      ?             ?      
1 1 1 22 0  0  o 126.1000       5.494000      766.0881      -0.0   
1 1 1 22 0  1  o 502.1000       14.11000      2950.567      -90.0  
1 1 1 22 0  2  o 143.4000       5.015000      2008.873      180.0  
1 1 1 22 0  3  o 41.34000       2.976000      1140.107      -90.0  
1 1 1 22 0  4  o 27.92000       1.462000      672.0580      180.0  
1 1 1 22 0  5  o 5.888000       1.144000      275.3253      -90.0  
1 1 1 22 0  6  o 85.14000       2.570000      1007.614      -0.0   
1 1 1 22 0  7  o 217.0000       6.446000      2051.808      90.0   
1 1 1 22 0  8  o 60.64000       2.339000      1453.266      0.0    
1 1 1 22 0  9  o 150.1000       5.424000      1535.992      -90.0  
1 1 1 22 0  10 o 45.14000       2.471000      756.7495      180.0  
1 1 1 22 0  11 o 61.24000       3.217000      825.5085      90.0   
1 1 1 22 0  12 o 3.813000       2.128000      577.8348      180.0  
1 1 1 22 0  13 o 27.00000       3.195000      811.9634      90.0   
1 1 1 22 0  14 o 364.5000       20.79000      2715.799      180.0  
1 1 1 22 0  15 o 2.342000       2.264000      439.6353      90.0   
1 1 1 22 0  16 o 108.9000       4.190000      1171.896      -180.0 
1 1 1 22 0  17 o 33.32000       2.235000      630.8558      90.0   
1 1 1 22 0  18 o 79.51000       2.962000      1206.240      -0.0   
1 1 1 22 0  19 o 454.6000       12.87000      3249.795      90.0   
1 1 1 22 0  20 o 17.15000       1.624000      174.3460      180.0  
1 1 1 22 0  21 o 9.970000       1.532000      248.1767      90.0   
1 1 1 22 0  22 o 9.177000       1.547000      762.3251      0.0    
1 1 1 22 0  23 o 28.50000       1.758000      1110.768      90.0   
1 1 1 22 0  24 o 3.661000       1.432000      618.2386      -180.0 
1 1 1 22 0  25 o 6.395000       1.470000      346.0650      90.0   
1 1 1 22 0  26 f 1.817000       1.441000      375.3992      -0.0   
1 1 1 22 0  27 o 3.124000       1.416000      96.58901      -90.0  
1 1 1 22 0  28 o 20.90000       1.615000      988.6083      180.0  
1 1 1 22 0  29 o 7.847000       1.451000      284.7946      -90.0  
1 1 1 22 0  30 o 6.461000       1.430000      268.8705      180.0  
1 1 1 22 0  31 o 16.87000       1.581000      542.6349      -90.0  
1 1 1 22 0  32 o 16.19000       1.615000      478.3620      180.0  
1 1 1 22 0  33 f 12.42000       1.566000      103.9477      -90.0  
1 1 1 22 0  34 o 8.055000       1.490000      395.2222      180.0  
1 1 1 22 0  35 o 0.5358000      1.437000      23.11221      -90.0  
1 1 1 22 0  36 o 3.934000       1.466000      588.0768      180.0  
1 1 1 22 0  37 o 5.668000       1.509000      240.5850      90.0   
1 1 1 22 0  38 o 72.05000       3.260000      1110.344      -180.0 
1 1 1 22 0  39 o 4.011000       2.256000      456.1957      -90.0  
1 1 1 22 0  40 o -1.741000      3.284000      64.12910      0.0    
1 1 1 22 0  41 o 20.10000       2.758000      627.0003      -90.0  
1 1 1 22 0  42 o 1.896000       1.994000      14.84657      180.0  
1 1 1 22 0  43 o 0.8764000      1.911000      77.03644      90.0   
1 1 1 22 0  44 f 1.112000       1.720000      59.81668      -180.0 
1 1 1 22 0  45 o 101.7000       3.675000      1287.913      90.0   
1 1 1 22 0  46 o -2.979000      2.051000      254.8943      0.0    
1 1 1 22 0  47 o -0.1537000     1.832000      111.3410      -90.0  
1 1 1 22 0  48 o 1.512000       2.161000      153.4328      0.0    
1 1 1 22 0  49 o 5.139000       2.208000      140.1525      -90.0  
1 1 1 22 0  50 f -3.645000      1.969000      354.0304      180.0  
1 1 1 22 0  51 o -0.8424000     2.274000      268.8072      90.0   
1 1 1 22 0  52 o 11.58000       2.091000      387.1689      180.0  
1 1 1 22 0  53 o 2.589000       2.032000      184.0053      -90.0  
1 1 1 22 0  54 o 4.942000       2.044000      413.6473      0.0    
1 1 1 22 0  55 o 11.47000       2.031000      ?             ?      
1 1 1 22 0  56 o 5.698000       2.260000      ?             ?      
1 1 1 22 0  57 o 1.954000       2.272000      ?             ?      
1 1 1 22 0  58 o 22.38000       2.949000      ?             ?      
1 1 1 22 0  59 o 4.918000       2.201000      ?             ?      
1 1 1 22 0  60 o 1.188000       1.850000      ?             ?      
1 1 1 22 0  61 o 5.881000       1.849000      ?             ?      
1 1 1 22 0  62 o 1.490000       1.787000      ?             ?      
1 1 1 22 0  63 o 1.380000       1.790000      ?             ?      
1 1 1 22 0  64 o -0.8366000     1.804000      ?             ?      
1 1 1 22 0  65 o 3.088000       1.822000      ?             ?      
1 1 1 22 0  66 o -3.333000      1.823000      ?             ?      
1 1 1 22 0  67 o 2.804000       1.847000      ?             ?      
1 1 1 22 0  68 o 0.9221000      1.843000      ?             ?      
1 1 1 22 0  69 o 4.649000       1.907000      ?             ?      
1 1 1 22 0  70 o -1.422000      1.850000      ?             ?      
1 1 1 22 0  71 o -2.456000      2.839000      ?             ?      
1 1 1 22 1  0  o 167.8000       7.071000      1703.135      -0.0   
1 1 1 22 1  1  o 87.14000       2.009000      1242.490      -43.2  
1 1 1 22 1  2  o 145.1000       2.624000      1593.534      58.5   
1 1 1 22 1  3  o 100.6000       2.989000      1155.120      179.3  
1 1 1 22 1  4  o 27.86000       1.215000      1096.945      -5.2   
1 1 1 22 1  5  o 24.11000       0.9753000     613.3699      60.2   
1 1 1 22 1  6  o 503.5000       10.15000      3261.589      142.4  
1 1 1 22 1  7  o 43.91000       1.447000      1004.736      -106.5 
1 1 1 22 1  8  o 59.24000       2.162000      973.8055      -96.1  
1 1 1 22 1  9  o 234.9000       5.853000      2471.008      167.6  
1 1 1 22 1  10 o 118.8000       3.693000      1793.874      -120.7 
1 1 1 22 1  11 o 13.28000       1.276000      633.4351      -139.4 
1 1 1 22 1  12 o 315.7000       17.81000      1988.308      -130.2 
1 1 1 22 1  13 o 11.91000       2.311000      246.6786      -57.4  
1 1 1 22 1  14 o 8.796000       2.164000      516.1011      -85.0  
1 1 1 22 1  15 o 220.9000       8.156000      1778.688      -173.5 
1 1 1 22 1  16 o 69.32000       2.442000      1132.273      73.4   
1 1 1 22 1  17 o 88.21000       2.688000      1305.341      -51.7  
1 1 1 22 1  18 o 229.0000       4.780000      2296.895      142.8  
1 1 1 22 1  19 o 175.7000       4.084000      1501.901      -23.1  
1 1 1 22 1  20 o 17.87000       1.192000      714.0327      127.5  
1 1 1 22 1  21 o 14.26000       1.129000      399.4500      51.6   
1 1 1 22 1  22 o 143.5000       3.152000      1763.500      -104.2 
1 1 1 22 1  23 o 34.59000       1.324000      892.7455      108.1  
1 1 1 22 1  24 o 1.836000       1.014000      402.5481      95.8   
1 1 1 22 1  25 o 75.92000       1.951000      1369.413      -170.2 
1 1 1 22 1  26 o 6.340000       1.040000      510.3952      101.4  
1 1 1 22 1  27 o 16.72000       1.104000      553.7476      -110.7 
1 1 1 22 1  28 o 39.24000       1.369000      760.1066      -3.9   
1 1 1 22 1  29 o 73.45000       1.905000      1004.454      -52.4  
1 1 1 22 1  30 f 33.24000       1.300000      1036.670      -134.2 
1 1 1 22 1  31 o 13.50000       1.081000      624.6028      -98.6  
1 1 1 22 1  32 o 84.01000       2.122000      1349.892      -83.7  
1 1 1 22 1  33 o 129.2000       2.937000      1523.840      164.4  
1 1 1 22 1  34 o 0.1832000      1.019000      299.5442      175.7  
1 1 1 22 1  35 o 4.791000       1.045000      356.3610      -112.4 
1 1 1 22 1  36 o 16.59000       1.148000      710.7548      -59.5  
1 1 1 22 1  37 o 11.98000       1.156000      460.8675      -76.1  
1 1 1 22 1  38 o 16.08000       1.422000      534.8743      50.7   
1 1 1 22 1  39 o 5.042000       1.865000      323.8354      -21.4  
1 1 1 22 1  40 o 11.83000       2.168000      580.1123      -35.5  
1 1 1 22 1  41 o 56.50000       3.010000      910.3933      136.0  
1 1 1 22 1  42 o 4.505000       1.410000      284.3486      -156.7 
1 1 1 22 1  43 o 2.861000       1.285000      430.7059      -173.0 
1 1 1 22 1  44 o 18.03000       1.335000      526.5997      77.6   
1 1 1 22 1  45 o 2.643000       1.356000      86.08070      126.7  
1 1 1 22 1  46 o 4.399000       1.466000      244.9595      -132.4 
1 1 1 22 1  47 o 6.371000       1.449000      315.2978      -13.1  
1 1 1 22 1  48 o 32.45000       1.743000      927.1409      -62.4  
1 1 1 22 1  49 o 9.398000       1.537000      400.0363      151.0  
1 1 1 22 1  50 o -0.1217000     1.514000      244.1382      159.4  
1 1 1 22 1  51 o 2.726000       1.530000      205.9053      38.2   
1 1 1 22 1  52 o 6.344000       1.459000      525.7206      -102.2 
1 1 1 22 1  53 o 7.818000       1.576000      387.6617      -23.8  
1 1 1 22 1  54 o 0.9845000      1.532000      35.92735      66.6   
1 1 1 22 1  55 o 6.746000       1.418000      ?             ?      
1 1 1 22 1  56 o 0.2386000      1.458000      ?             ?      
1 1 1 22 1  57 o 2.528000       2.155000      ?             ?      
1 1 1 22 1  58 o 11.56000       2.328000      ?             ?      
1 1 1 22 1  59 o 12.84000       2.182000      ?             ?      
1 1 1 22 1  60 o 12.97000       1.510000      ?             ?      
1 1 1 22 1  61 o -1.357000      1.273000      ?             ?      
1 1 1 22 1  62 o 0.3769000      1.267000      ?             ?      
1 1 1 22 1  63 o 1.273000       1.286000      ?             ?      
1 1 1 22 1  64 o 2.935000       1.299000      ?             ?      
1 1 1 22 1  65 o 0.6253000E-01  1.284000      ?             ?      
1 1 1 22 1  66 o 3.384000       1.317000      ?             ?      
1 1 1 22 1  67 o 2.116000       1.325000      ?             ?      
1 1 1 22 1  68 o 0.9446000      1.325000      ?             ?      
1 1 1 22 1  69 o 0.5443000      1.316000      ?             ?      
1 1 1 22 1  70 o 0.4644000      1.324000      ?             ?      
1 1 1 22 1  71 o -0.7215000     1.781000      ?             ?      
1 1 1 22 2  0  o 3.215000       1.178000      190.5611      -180.0 
1 1 1 22 2  1  o 133.6000       2.811000      1945.521      -158.6 
1 1 1 22 2  2  o -0.1813000     0.8123000     375.0847      119.2  
1 1 1 22 2  3  o 183.8000       4.845000      1902.856      -119.5 
1 1 1 22 2  4  o 270.3000       4.672000      1999.859      -159.6 
1 1 1 22 2  5  o 59.06000       1.910000      1110.131      -37.1  
1 1 1 22 2  6  o 32.58000       1.139000      665.3021      -44.1  
1 1 1 22 2  7  o 3.713000       0.8313000     201.3118      126.2  
1 1 1 22 2  8  o 18.75000       1.464000      602.1490      -47.5  
1 1 1 22 2  9  o 203.6000       4.640000      1758.018      -115.6 
1 1 1 22 2  10 o 20.66000       1.334000      740.6224      12.9   
1 1 1 22 2  11 o 29.61000       1.759000      555.2216      -24.1  
1 1 1 22 2  12 o 89.62000       4.830000      661.6290      72.8   
1 1 1 22 2  13 o 18.43000       1.963000      556.0955      -39.7  
1 1 1 22 2  14 o 66.22000       5.253000      1275.808      119.0  
1 1 1 22 2  15 o 67.57000       3.437000      1448.649      -23.5  
1 1 1 22 2  16 o 17.83000       1.390000      598.9514      124.4  
1 1 1 22 2  17 o 43.72000       1.686000      959.1455      32.4   
1 1 1 22 2  18 o 277.3000       7.067000      2269.023      74.5   
1 1 1 22 2  19 o 85.43000       2.328000      1551.993      118.6  
1 1 1 22 2  20 o 31.34000       1.332000      1189.906      -22.7  
1 1 1 22 2  21 o 190.7000       4.042000      1982.637      38.4   
1 1 1 22 2  22 o 26.88000       1.234000      622.7382      151.3  
1 1 1 22 2  23 o 8.485000       1.054000      438.4908      -48.5  
1 1 1 22 2  24 o 51.89000       1.559000      965.3499      -150.4 
1 1 1 22 2  25 o 27.24000       1.236000      780.9913      -116.3 
1 1 1 22 2  26 o 69.79000       1.867000      1028.413      11.6   
1 1 1 22 2  27 o 53.41000       1.596000      909.0461      -153.5 
1 1 1 22 2  28 o 24.25000       1.198000      445.8957      139.9  
1 1 1 22 2  29 o 2.050000       0.9980000     296.0958      -19.4  
1 1 1 22 2  30 o 7.660000       1.038000      491.7440      -89.8  
1 1 1 22 2  31 o 8.094000       1.064000      530.2781      -123.9 
1 1 1 22 2  32 o 13.78000       1.134000      733.5634      56.2   
1 1 1 22 2  33 o 40.40000       1.445000      714.6105      -48.0  
1 1 1 22 2  34 o 37.95000       1.404000      881.0919      -126.9 
1 1 1 22 2  35 o 31.61000       1.424000      628.5396      51.6   
1 1 1 22 2  36 o 2.132000       1.143000      66.84011      -161.3 
1 1 1 22 2  37 o 0.8636000      1.124000      283.0831      49.5   
1 1 1 22 2  38 o 5.318000       1.369000      423.3794      118.2  
1 1 1 22 2  39 o 6.065000       1.797000      354.8955      -94.0  
1 1 1 22 2  40 o 0.7612000      1.898000      217.0988      -44.1  
1 1 1 22 2  41 o 26.03000       2.258000      643.7122      -41.0  
1 1 1 22 2  42 o 13.05000       1.491000      479.3963      -172.5 
1 1 1 22 2  43 o 1.559000       1.376000      94.71941      37.9   
1 1 1 22 2  44 o 8.861000       1.358000      417.0935      129.1  
1 1 1 22 2  45 o 25.66000       1.576000      694.1152      112.0  
1 1 1 22 2  46 o 7.783000       1.512000      394.0782      32.5   
1 1 1 22 2  47 o 7.522000       1.364000      392.0917      -72.2  
1 1 1 22 2  48 o 16.04000       1.541000      636.8544      -71.2  
1 1 1 22 2  49 o 20.84000       1.531000      615.3278      99.0   
1 1 1 22 2  50 o 14.87000       1.497000      552.2541      -156.1 
1 1 1 22 2  51 o 4.281000       1.445000      258.9018      79.2   
1 1 1 22 2  52 f 4.587000       1.456000      259.6324      146.3  
1 1 1 22 2  53 o 13.86000       1.654000      612.4143      -24.3  
1 1 1 22 2  54 o 0.5113000      2.026000      159.9928      137.2  
1 1 1 22 2  55 o 17.03000       1.877000      ?             ?      
1 1 1 22 2  56 o 3.249000       1.482000      ?             ?      
1 1 1 22 2  57 o -1.605000      2.044000      ?             ?      
1 1 1 22 2  58 o 18.11000       1.896000      ?             ?      
1 1 1 22 2  59 o 4.940000       1.652000      ?             ?      
1 1 1 22 2  60 o 6.344000       1.437000      ?             ?      
1 1 1 22 2  61 o 1.214000       1.273000      ?             ?      
1 1 1 22 2  62 o 3.119000       1.274000      ?             ?      
1 1 1 22 2  63 o 8.492000       1.336000      ?             ?      
1 1 1 22 2  64 o 4.347000       1.294000      ?             ?      
1 1 1 22 2  65 o 1.695000       1.277000      ?             ?      
1 1 1 22 2  66 o 3.554000       1.307000      ?             ?      
1 1 1 22 2  67 o 3.929000       1.333000      ?             ?      
1 1 1 22 2  68 o 6.683000       1.356000      ?             ?      
1 1 1 22 2  69 o 1.393000       1.316000      ?             ?      
1 1 1 22 2  70 o 0.6610000      1.451000      ?             ?      
1 1 1 22 2  71 o -0.6970000     1.784000      ?             ?      
1 1 1 22 3  0  o 134.0000       3.757000      1525.645      -0.0   
1 1 1 22 3  1  o 57.65000       1.501000      1101.017      -28.3  
1 1 1 22 3  2  o 206.2000       4.500000      1736.400      -13.7  
1 1 1 22 3  3  o 3.612000       0.9262000     318.1867      114.3  
1 1 1 22 3  4  o 126.5000       3.236000      1371.403      -17.4  
1 1 1 22 3  5  o 26.51000       1.605000      154.0108      138.1  
1 1 1 22 3  6  o 5.949000       0.8493000     335.1349      -121.3 
1 1 1 22 3  7  o 52.15000       1.459000      1200.591      -149.6 
1 1 1 22 3  8  o 22.66000       1.133000      861.3595      121.5  
1 1 1 22 3  9  o 28.01000       1.298000      968.7456      -153.6 
1 1 1 22 3  10 o 2.998000       1.041000      629.4476      -143.5 
1 1 1 22 3  11 o 99.22000       3.862000      1321.836      79.4   
1 1 1 22 3  12 o 10.22000       2.704000      544.7737      127.4  
1 1 1 22 3  13 o 31.99000       2.011000      687.2059      41.7   
1 1 1 22 3  14 o 38.54000       2.328000      940.5635      171.2  
1 1 1 22 3  15 o 63.51000       3.200000      871.1683      -101.9 
1 1 1 22 3  16 o 5.431000       1.394000      229.8401      -151.6 
1 1 1 22 3  17 o 124.7000       3.093000      1755.769      -174.7 
1 1 1 22 3  18 o 74.18000       2.170000      1460.787      171.7  
1 1 1 22 3  19 o 12.00000       1.167000      701.8632      -128.7 
1 1 1 22 3  20 o 31.77000       1.350000      862.7351      99.0   
1 1 1 22 3  21 o 17.06000       1.152000      524.4032      4.0    
1 1 1 22 3  22 o 8.418000       1.083000      87.29523      110.3  
1 1 1 22 3  23 o 50.19000       1.554000      1178.109      115.9  
1 1 1 22 3  24 o 42.78000       1.453000      831.2023      50.2   
1 1 1 22 3  25 o 12.35000       1.094000      603.6720      -109.3 
1 1 1 22 3  26 o 66.35000       1.810000      978.0422      -38.4  
1 1 1 22 3  27 f 14.18000       1.107000      237.7384      -33.0  
1 1 1 22 3  28 o 37.68000       1.372000      1076.421      -46.2  
1 1 1 22 3  29 o 34.38000       1.323000      745.6478      -126.2 
1 1 1 22 3  30 o 15.95000       1.105000      666.0100      -139.6 
1 1 1 22 3  31 o 20.50000       1.181000      765.3635      -75.0  
1 1 1 22 3  32 o 89.58000       2.428000      1304.386      -73.5  
1 1 1 22 3  33 o 35.41000       1.497000      771.1044      -176.5 
1 1 1 22 3  34 o 3.482000       1.051000      430.5393      64.2   
1 1 1 22 3  35 o 26.97000       1.388000      796.0157      -70.0  
1 1 1 22 3  36 o 6.195000       1.165000      548.1016      -137.9 
1 1 1 22 3  37 o 1.686000       1.117000      136.8126      3.6    
1 1 1 22 3  38 o 4.563000       1.363000      282.0387      75.2   
1 1 1 22 3  39 o 4.045000       1.732000      298.4821      40.6   
1 1 1 22 3  40 o 20.66000       1.670000      645.2512      -30.1  
1 1 1 22 3  41 o 1.748000       1.462000      391.1288      158.5  
1 1 1 22 3  42 o 8.318000       1.622000      324.2647      -10.0  
1 1 1 22 3  43 o 10.17000       1.559000      320.8903      72.6   
1 1 1 22 3  44 o 7.120000       1.349000      450.5177      87.0   
1 1 1 22 3  45 o 6.534000       1.266000      211.4907      -166.9 
1 1 1 22 3  46 o 6.230000       1.307000      379.9628      -110.6 
1 1 1 22 3  47 o 11.79000       1.470000      627.5076      24.5   
1 1 1 22 3  48 o 13.14000       1.495000      359.6130      28.8   
1 1 1 22 3  49 o 8.670000       1.420000      322.9866      65.7   
1 1 1 22 3  50 o 13.83000       1.611000      464.9597      -156.9 
1 1 1 22 3  51 o 9.659000       1.474000      471.6290      -24.1  
1 1 1 22 3  52 o 3.616000       1.439000      256.0327      -117.4 
1 1 1 22 3  53 o 0.3464000      1.414000      112.9682      -82.1  
1 1 1 22 3  54 f 3.671000       1.420000      326.0974      90.0   
1 1 1 22 3  55 o 19.01000       1.740000      ?             ?      
1 1 1 22 3  56 o 1.506000       1.665000      ?             ?      
1 1 1 22 3  57 o 24.39000       1.991000      ?             ?      
1 1 1 22 3  58 o 2.274000       1.732000      ?             ?      
1 1 1 22 3  59 o 3.807000       1.594000      ?             ?      
1 1 1 22 3  60 f 1.680000       1.482000      ?             ?      
1 1 1 22 3  61 o -0.9676000     1.372000      ?             ?      
1 1 1 22 3  62 o -0.5261000     1.246000      ?             ?      
1 1 1 22 3  63 o 2.298000       1.290000      ?             ?      
1 1 1 22 3  64 o 0.3256000      1.267000      ?             ?      
1 1 1 22 3  65 o 3.172000       1.293000      ?             ?      
1 1 1 22 3  66 o 4.320000       1.301000      ?             ?      
1 1 1 22 3  67 o 1.781000       1.293000      ?             ?      
1 1 1 22 3  68 o 1.666000       1.320000      ?             ?      
1 1 1 22 3  69 o -1.180000      1.840000      ?             ?      
1 1 1 22 3  70 o 3.296000       1.462000      ?             ?      
1 1 1 22 3  71 o -3.015000      3.294000      ?             ?      
1 1 1 22 4  0  o 49.64000       1.946000      955.8248      -180.0 
1 1 1 22 4  1  o 131.4000       2.733000      1857.951      81.9   
1 1 1 22 4  2  o 73.69000       1.947000      1631.087      -166.2 
1 1 1 22 4  3  o 31.43000       1.096000      665.6270      144.1  
1 1 1 22 4  4  o 43.61000       1.267000      724.4255      176.8  
1 1 1 22 4  5  o 163.3000       3.664000      2148.301      2.9    
1 1 1 22 4  6  o 27.93000       1.424000      858.4929      -110.7 
1 1 1 22 4  7  o 6.088000       0.9815000     444.1180      -69.2  
1 1 1 22 4  8  o 14.50000       1.267000      700.7725      -88.3  
1 1 1 22 4  9  o 39.82000       1.497000      372.6416      -134.7 
1 1 1 22 4  10 o 13.68000       1.174000      647.0326      67.8   
1 1 1 22 4  11 o 17.51000       1.580000      938.7295      -116.7 
1 1 1 22 4  12 o 0.2876000      1.150000      38.89901      13.0   
1 1 1 22 4  13 o 37.02000       2.131000      936.8793      65.8   
1 1 1 22 4  14 o 86.02000       3.200000      1474.033      79.7   
1 1 1 22 4  15 o 99.01000       3.906000      1317.475      -56.7  
1 1 1 22 4  16 o 12.02000       1.461000      632.7544      49.8   
1 1 1 22 4  17 o 5.482000       1.312000      432.1438      -17.3  
1 1 1 22 4  18 o 35.22000       1.651000      989.2359      54.3   
1 1 1 22 4  19 o 3.861000       1.265000      192.0709      -10.1  
1 1 1 22 4  20 o 29.22000       1.295000      972.7864      11.7   
1 1 1 22 4  21 o 41.69000       1.451000      913.1846      96.2   
1 1 1 22 4  22 f 70.39000       1.886000      1374.885      -167.6 
1 1 1 22 4  23 o 33.81000       1.318000      743.0625      172.5  
1 1 1 22 4  24 f 10.51000       1.078000      296.8586      -135.0 
1 1 1 22 4  25 o 8.273000       1.053000      439.4377      -44.9  
1 1 1 22 4  26 o 20.02000       1.164000      825.9178      31.0   
1 1 1 22 4  27 o 11.67000       1.072000      193.2071      -96.1  
1 1 1 22 4  28 o 29.77000       1.258000      736.3298      167.8  
1 1 1 22 4  29 o 31.08000       1.296000      666.5464      -17.7  
1 1 1 22 4  30 o 8.099000       1.171000      338.6501      -26.7  
1 1 1 22 4  31 o 53.33000       1.785000      951.4735      68.9   
1 1 1 22 4  32 o 4.637000       1.066000      330.3292      9.2    
1 1 1 22 4  33 o 38.42000       1.551000      824.8525      -55.3  
1 1 1 22 4  34 o 15.68000       1.238000      507.1507      -12.3  
1 1 1 22 4  35 o 6.908000       1.079000      319.4319      80.2   
1 1 1 22 4  36 o 7.966000       1.099000      364.3848      -24.1  
1 1 1 22 4  37 o -0.8459000     1.118000      48.04995      -66.3  
1 1 1 22 4  38 o 7.227000       1.423000      362.6414      79.0   
1 1 1 22 4  39 o 20.83000       1.662000      628.4042      -57.8  
1 1 1 22 4  40 o 2.850000       1.322000      298.6599      60.2   
1 1 1 22 4  41 o 6.191000       1.355000      324.1931      8.4    
1 1 1 22 4  42 o 36.92000       2.010000      851.4187      149.9  
1 1 1 22 4  43 o 18.32000       1.579000      623.2304      -98.5  
1 1 1 22 4  44 o 6.806000       1.354000      283.0951      123.4  
1 1 1 22 4  45 o 16.83000       1.368000      574.2557      108.6  
1 1 1 22 4  46 o 12.01000       1.372000      488.7273      152.0  
1 1 1 22 4  47 o 0.3803000      1.292000      54.49846      -45.5  
1 1 1 22 4  48 o 2.211000       1.317000      55.42475      115.6  
1 1 1 22 4  49 o 2.688000       1.384000      157.8632      122.6  
1 1 1 22 4  50 o 1.535000       1.499000      120.7844      32.9   
1 1 1 22 4  51 o 3.097000       1.417000      269.4398      7.9    
1 1 1 22 4  52 o 3.551000       1.507000      219.6380      -126.0 
1 1 1 22 4  53 f 0.1895000      1.494000      162.8658      -53.1  
1 1 1 22 4  54 o 6.100000       1.426000      393.3334      158.1  
1 1 1 22 4  55 o 4.868000       1.517000      ?             ?      
1 1 1 22 4  56 o 3.085000       1.554000      ?             ?      
1 1 1 22 4  57 o 1.544000       1.483000      ?             ?      
1 1 1 22 4  58 o 1.520000       1.586000      ?             ?      
1 1 1 22 4  59 o -0.6548000     1.379000      ?             ?      
1 1 1 22 4  60 o 4.308000       2.059000      ?             ?      
1 1 1 22 4  61 o 3.187000       1.393000      ?             ?      
1 1 1 22 4  62 o 2.368000       1.281000      ?             ?      
1 1 1 22 4  63 o 2.972000       1.289000      ?             ?      
1 1 1 22 4  64 o 3.274000       1.286000      ?             ?      
1 1 1 22 4  65 o 3.505000       1.291000      ?             ?      
1 1 1 22 4  66 o 4.331000       1.322000      ?             ?      
1 1 1 22 4  67 o 2.127000       1.299000      ?             ?      
1 1 1 22 4  68 o 5.379000       1.438000      ?             ?      
1 1 1 22 4  69 o 3.007000       1.343000      ?             ?      
1 1 1 22 4  70 o -0.4140000     1.440000      ?             ?      
1 1 1 22 5  0  o 26.14000       1.684000      516.8094      -0.0   
1 1 1 22 5  1  o 62.56000       1.728000      1092.655      -99.1  
1 1 1 22 5  2  o 6.445000       0.8721000     499.2091      -171.7 
1 1 1 22 5  3  o 14.05000       0.9232000     617.7871      167.3  
1 1 1 22 5  4  o 5.582000       0.8800000     658.7899      79.1   
1 1 1 22 5  5  o 64.22000       1.719000      1410.501      -12.1  
1 1 1 22 5  6  o 44.80000       1.950000      1240.703      146.7  
1 1 1 22 5  7  o 173.3000       3.638000      2112.232      174.3  
1 1 1 22 5  8  o 21.22000       1.175000      780.7981      51.5   
1 1 1 22 5  9  o -1.053000      1.096000      114.9130      -157.2 
1 1 1 22 5  10 o 14.31000       1.553000      888.0499      116.2  
1 1 1 22 5  11 o 1.586000       1.364000      222.0147      -56.3  
1 1 1 22 5  12 o 26.81000       1.789000      863.5026      97.7   
1 1 1 22 5  13 o 4.119000       1.283000      152.6345      143.1  
1 1 1 22 5  14 o 29.59000       1.737000      1035.425      -107.2 
1 1 1 22 5  15 o 25.25000       1.484000      894.4275      -50.5  
1 1 1 22 5  16 o 64.43000       2.276000      1328.101      122.5  
1 1 1 22 5  17 o 6.673000       1.347000      397.4223      151.6  
1 1 1 22 5  18 o 36.53000       1.678000      936.7592      -133.4 
1 1 1 22 5  19 o 64.39000       2.137000      1495.401      161.8  
1 1 1 22 5  20 o 13.43000       1.274000      290.0875      -21.8  
1 1 1 22 5  21 o 0.5318000      1.047000      92.00900      -19.1  
1 1 1 22 5  22 o 7.254000       1.069000      236.0888      148.1  
1 1 1 22 5  23 o 14.16000       1.095000      501.9365      177.3  
1 1 1 22 5  24 o 12.58000       1.077000      664.4839      25.1   
1 1 1 22 5  25 o 8.218000       1.043000      235.0187      -100.5 
1 1 1 22 5  26 o 10.74000       1.056000      483.4001      -44.3  
1 1 1 22 5  27 o 14.91000       1.114000      770.0119      172.1  
1 1 1 22 5  28 o 4.847000       1.134000      382.3487      7.6    
1 1 1 22 5  29 o 62.23000       1.930000      1282.108      -56.8  
1 1 1 22 5  30 o 28.67000       1.302000      623.6675      157.0  
1 1 1 22 5  31 o 17.00000       1.257000      555.5649      -90.8  
1 1 1 22 5  32 o 11.92000       1.103000      516.6241      -105.2 
1 1 1 22 5  33 o 21.60000       1.200000      724.2993      144.2  
1 1 1 22 5  34 o 13.82000       1.114000      534.8412      86.1   
1 1 1 22 5  35 o 4.813000       1.061000      493.5163      -89.6  
1 1 1 22 5  36 o 15.89000       1.386000      535.4725      -159.1 
1 1 1 22 5  37 o 9.580000       1.508000      419.3429      73.5   
1 1 1 22 5  38 o 4.289000       1.383000      345.1235      151.4  
1 1 1 22 5  39 o 7.754000       1.337000      351.0029      -98.9  
1 1 1 22 5  40 o 5.813000       1.260000      300.3769      -63.6  
1 1 1 22 5  41 o 9.488000       1.379000      377.1822      89.3   
1 1 1 22 5  42 o 6.547000       1.505000      305.3777      36.5   
1 1 1 22 5  43 o 12.51000       1.503000      527.1468      -150.2 
1 1 1 22 5  44 o 2.066000       1.312000      183.8885      -61.5  
1 1 1 22 5  45 o 18.04000       1.385000      481.4865      -99.5  
1 1 1 22 5  46 o 3.905000       1.297000      187.9496      -130.4 
1 1 1 22 5  47 o 3.095000       1.295000      289.4627      -1.4   
1 1 1 22 5  48 o 2.710000       1.316000      359.1493      120.1  
1 1 1 22 5  49 o 7.245000       1.374000      418.3934      60.7   
1 1 1 22 5  50 o 5.573000       1.414000      263.5518      -99.6  
1 1 1 22 5  51 o 4.625000       1.434000      318.8993      -10.4  
1 1 1 22 5  52 o 6.045000       1.538000      321.5497      96.8   
1 1 1 22 5  53 o 3.224000       1.511000      243.1950      -123.9 
1 1 1 22 5  54 o -0.8696000     1.494000      ?             ?      
1 1 1 22 5  55 o 8.478000       1.737000      ?             ?      
1 1 1 22 5  56 o 4.693000       1.629000      ?             ?      
1 1 1 22 5  57 o 2.089000       1.396000      ?             ?      
1 1 1 22 5  58 o 2.221000       1.409000      ?             ?      
1 1 1 22 5  59 o -0.1478000     1.481000      ?             ?      
1 1 1 22 5  60 o 2.148000       1.580000      ?             ?      
1 1 1 22 5  61 o 3.577000       1.607000      ?             ?      
1 1 1 22 5  62 o -0.1767000     1.455000      ?             ?      
1 1 1 22 5  63 o 3.200000       1.403000      ?             ?      
1 1 1 22 5  64 o 0.2841000      1.273000      ?             ?      
1 1 1 22 5  65 o 1.125000       1.283000      ?             ?      
1 1 1 22 5  66 o 2.362000       1.322000      ?             ?      
1 1 1 22 5  67 o 1.076000       1.302000      ?             ?      
1 1 1 22 5  68 o 0.5815000      1.308000      ?             ?      
1 1 1 22 5  69 o -0.4399000     1.438000      ?             ?      
1 1 1 22 5  70 o 3.587000       1.676000      ?             ?      
1 1 1 22 6  0  o 8.048000       1.209000      616.7599      -0.0   
1 1 1 22 6  1  o 50.99000       1.482000      1188.641      158.1  
1 1 1 22 6  2  o 16.07000       0.9529000     735.5122      -106.1 
1 1 1 22 6  3  o 3.084000       1.427000      692.5533      109.3  
1 1 1 22 6  4  o 22.03000       1.073000      1110.271      -136.3 
1 1 1 22 6  5  o 19.81000       1.044000      696.5554      -91.6  
1 1 1 22 6  6  o 77.18000       2.439000      1363.186      178.7  
1 1 1 22 6  7  o 14.87000       1.355000      900.6709      114.2  
1 1 1 22 6  8  o 54.65000       1.952000      1070.920      -90.5  
1 1 1 22 6  9  o 10.72000       1.270000      718.8784      -125.1 
1 1 1 22 6  10 o 19.05000       1.714000      900.8903      89.4   
1 1 1 22 6  11 o 16.28000       1.307000      697.5171      -136.7 
1 1 1 22 6  12 o 33.60000       1.515000      990.4872      27.2   
1 1 1 22 6  13 o 54.27000       2.560000      1212.881      86.6   
1 1 1 22 6  14 o 17.47000       1.607000      792.2271      -33.3  
1 1 1 22 6  15 o 16.56000       1.303000      743.6044      -66.3  
1 1 1 22 6  16 o 3.076000       1.237000      494.8318      80.2   
1 1 1 22 6  17 o 9.571000       1.505000      364.6602      -63.1  
1 1 1 22 6  18 o 53.18000       1.977000      1163.260      51.6   
1 1 1 22 6  19 o 2.844000       1.248000      848.8091      -44.0  
1 1 1 22 6  20 o 41.06000       1.625000      1009.173      -57.5  
1 1 1 22 6  21 o 23.17000       1.256000      731.7610      90.9   
1 1 1 22 6  22 o 7.674000       1.071000      452.4800      -123.0 
1 1 1 22 6  23 o 1.316000       1.028000      147.2338      167.5  
1 1 1 22 6  24 o 6.294000       1.021000      506.1546      -39.0  
1 1 1 22 6  25 o 18.07000       1.243000      620.1390      -74.7  
1 1 1 22 6  26 o 10.55000       1.171000      434.2564      -142.3 
1 1 1 22 6  27 o 26.70000       1.227000      816.6536      40.4   
1 1 1 22 6  28 o 6.286000       1.136000      395.8686      -44.9  
1 1 1 22 6  29 o 26.77000       1.382000      912.5356      22.2   
1 1 1 22 6  30 o 8.078000       1.086000      414.9661      29.5   
1 1 1 22 6  31 o 12.34000       1.100000      527.2605      -33.0  
1 1 1 22 6  32 o 8.766000       1.045000      374.2739      -60.0  
1 1 1 22 6  33 o 13.99000       1.184000      458.9079      -22.6  
1 1 1 22 6  34 o 2.373000       1.114000      233.7425      4.9    
1 1 1 22 6  35 o 11.52000       1.127000      698.2526      -121.6 
1 1 1 22 6  36 o 4.492000       1.342000      370.7979      -34.9  
1 1 1 22 6  37 o 2.396000       1.669000      266.5705      -162.0 
1 1 1 22 6  38 o 0.4199000      1.212000      184.4272      -22.5  
1 1 1 22 6  39 o 14.64000       1.276000      586.3698      -46.4  
1 1 1 22 6  40 o 0.9153000      1.227000      163.4020      127.5  
1 1 1 22 6  41 o 8.198000       1.303000      455.1381      -20.3  
1 1 1 22 6  42 o 15.22000       1.584000      570.3188      -162.6 
1 1 1 22 6  43 o -1.996000      1.511000      166.4180      -42.5  
1 1 1 22 6  44 o 5.513000       1.451000      371.7568      90.4   
1 1 1 22 6  45 o 0.7918000      1.338000      83.45592      15.8   
1 1 1 22 6  46 o 1.149000       1.241000      76.84085      42.2   
1 1 1 22 6  47 o 2.699000       1.280000      102.7333      -117.9 
1 1 1 22 6  48 o 2.451000       1.310000      208.5746      63.0   
1 1 1 22 6  49 o 0.1025000      1.354000      128.1512      -164.1 
1 1 1 22 6  50 o 24.49000       1.595000      736.5308      139.5  
1 1 1 22 6  51 o 2.145000       1.404000      167.4386      -36.4  
1 1 1 22 6  52 o 5.816000       1.405000      226.0460      -39.6  
1 1 1 22 6  53 o 1.950000       1.388000      152.2421      145.9  
1 1 1 22 6  54 o 1.689000       1.654000      ?             ?      
1 1 1 22 6  55 o -0.6588000E-01 1.658000      ?             ?      
1 1 1 22 6  56 o -0.5173000     1.494000      ?             ?      
1 1 1 22 6  57 o -0.1703000     1.457000      ?             ?      
1 1 1 22 6  58 o 2.288000       1.285000      ?             ?      
1 1 1 22 6  59 o 1.570000       1.402000      ?             ?      
1 1 1 22 6  60 o 0.7341000      1.370000      ?             ?      
1 1 1 22 6  61 o 5.652000       1.426000      ?             ?      
1 1 1 22 6  62 o 2.832000       1.514000      ?             ?      
1 1 1 22 6  63 o 2.726000       1.358000      ?             ?      
1 1 1 22 6  64 o -0.1232000     1.373000      ?             ?      
1 1 1 22 6  65 o 2.091000       1.395000      ?             ?      
1 1 1 22 6  66 o 2.763000       1.319000      ?             ?      
1 1 1 22 6  67 o 0.2490000      1.296000      ?             ?      
1 1 1 22 6  68 o -1.656000      1.300000      ?             ?      
1 1 1 22 6  69 o 2.397000       1.435000      ?             ?      
1 1 1 22 6  70 o -0.7174000     2.348000      ?             ?      
1 1 1 22 7  0  o -0.8367000     1.183000      173.8091      -180.0 
1 1 1 22 7  1  o 5.779000       0.9181000     599.3356      -30.3  
1 1 1 22 7  2  o 18.19000       1.004000      767.4458      -79.5  
1 1 1 22 7  3  o 0.3835000      0.8495000     279.4196      79.5   
1 1 1 22 7  4  o 4.420000       0.8965000     322.4229      -71.6  
1 1 1 22 7  5  o 14.00000       1.210000      850.4512      -110.7 
1 1 1 22 7  6  o 3.877000       1.588000      559.6667      169.7  
1 1 1 22 7  7  o 5.968000       1.334000      324.1951      -149.4 
1 1 1 22 7  8  o 7.236000       1.214000      444.9714      103.8  
1 1 1 22 7  9  o 24.94000       1.479000      772.4163      -24.2  
1 1 1 22 7  10 o 2.399000       1.208000      396.4149      -40.6  
1 1 1 22 7  11 o 27.89000       1.974000      849.2719      -170.3 
1 1 1 22 7  12 o 3.361000       1.142000      291.7166      133.0  
1 1 1 22 7  13 o 1.268000       1.141000      85.18116      130.4  
1 1 1 22 7  14 o 74.41000       2.449000      1141.947      -130.7 
1 1 1 22 7  15 o 8.630000       1.251000      501.1728      56.5   
1 1 1 22 7  16 o 22.44000       1.426000      1099.309      87.3   
1 1 1 22 7  17 o 20.18000       1.438000      592.1992      -178.6 
1 1 1 22 7  18 o 10.80000       1.440000      571.9714      61.1   
1 1 1 22 7  19 o 25.12000       1.430000      861.7695      140.3  
1 1 1 22 7  20 o 14.79000       1.323000      714.9855      29.7   
1 1 1 22 7  21 o 28.76000       1.479000      838.7330      10.7   
1 1 1 22 7  22 o 0.7136000      1.222000      288.1211      -168.0 
1 1 1 22 7  23 o 4.751000       1.146000      402.9502      146.0  
1 1 1 22 7  24 o 3.458000       1.021000      341.1684      59.9   
1 1 1 22 7  25 o 1.043000       0.9998000     130.9924      59.9   
1 1 1 22 7  26 o 2.478000       1.090000      309.9373      124.0  
1 1 1 22 7  27 o 12.71000       1.082000      613.6686      8.9    
1 1 1 22 7  28 o 13.87000       1.084000      521.5237      87.1   
1 1 1 22 7  29 f 7.028000       1.052000      379.6868      -50.1  
1 1 1 22 7  30 o 18.41000       1.184000      788.3766      127.2  
1 1 1 22 7  31 o 2.910000       1.086000      179.9345      146.4  
1 1 1 22 7  32 o 10.30000       1.132000      471.5591      77.0   
1 1 1 22 7  33 o 2.386000       1.006000      250.4823      25.9   
1 1 1 22 7  34 o 9.363000       1.169000      460.0961      64.4   
1 1 1 22 7  35 o 4.530000       1.117000      224.8786      -55.4  
1 1 1 22 7  36 o 1.200000       1.168000      267.5060      -163.9 
1 1 1 22 7  37 o 0.9947000      1.263000      145.8613      73.4   
1 1 1 22 7  38 o 1.850000       1.136000      175.8060      142.5  
1 1 1 22 7  39 o 0.7888000      1.072000      264.0353      -3.8   
1 1 1 22 7  40 o 2.222000       1.119000      346.0216      32.5   
1 1 1 22 7  41 o 1.729000       1.243000      117.7903      80.9   
1 1 1 22 7  42 o 0.4842000      1.351000      139.4868      140.7  
1 1 1 22 7  43 o 14.20000       1.647000      556.8151      -96.1  
1 1 1 22 7  44 o -2.154000      1.435000      67.24873      92.2   
1 1 1 22 7  45 o -0.4891000     1.344000      175.7314      -65.9  
1 1 1 22 7  46 f 2.146000       1.249000      179.6077      158.6  
1 1 1 22 7  47 o 4.064000       1.279000      288.4967      177.6  
1 1 1 22 7  48 o -2.519000      1.291000      14.83744      -126.5 
1 1 1 22 7  49 o 0.3495000      1.335000      157.7734      5.6    
1 1 1 22 7  50 o 0.6509000      1.392000      237.2360      -91.1  
1 1 1 22 7  51 o 2.860000       1.389000      167.8467      -142.7 
1 1 1 22 7  52 o 1.286000       1.356000      188.2043      54.4   
1 1 1 22 7  53 o 0.5986000      1.452000      249.9474      -1.0   
1 1 1 22 7  54 o -0.5768000     1.516000      ?             ?      
1 1 1 22 7  55 o 2.123000       1.601000      ?             ?      
1 1 1 22 7  56 o -0.4184000     1.385000      ?             ?      
1 1 1 22 7  57 o 3.484000       1.393000      ?             ?      
1 1 1 22 7  58 o 0.1754000      1.277000      ?             ?      
1 1 1 22 7  59 o 0.3200000      1.603000      ?             ?      
1 1 1 22 7  60 o 0.8346000      1.674000      ?             ?      
1 1 1 22 7  61 o -0.8940000     1.524000      ?             ?      
1 1 1 22 7  62 o -0.3051000     1.455000      ?             ?      
1 1 1 22 7  63 o -1.025000      1.360000      ?             ?      
1 1 1 22 7  64 o 1.361000       1.362000      ?             ?      
1 1 1 22 7  65 o 0.4490000      1.358000      ?             ?      
1 1 1 22 7  66 o -0.2345000     1.408000      ?             ?      
1 1 1 22 7  67 o 1.757000       1.493000      ?             ?      
1 1 1 22 7  68 o -0.3540000     1.414000      ?             ?      
1 1 1 22 7  69 o -0.5193000     1.502000      ?             ?      
1 1 1 22 7  70 o -0.4377000     1.613000      ?             ?      
1 1 1 22 8  0  o 21.97000       1.881000      1020.818      0.0    
1 1 1 22 8  1  o 1.116000       0.9004000     407.8801      -144.4 
1 1 1 22 8  2  o 0.7792000      0.8783000     314.0313      85.0   
1 1 1 22 8  3  o 2.710000       0.9115000     268.4956      73.8   
1 1 1 22 8  4  o 11.72000       1.192000      644.5963      -117.8 
1 1 1 22 8  5  o 6.775000       1.169000      407.5835      -144.8 
1 1 1 22 8  6  o 14.44000       1.411000      715.9731      113.1  
1 1 1 22 8  7  o 0.2477000E-01  1.249000      170.7695      143.8  
1 1 1 22 8  8  o -2.617000      1.474000      137.6524      -64.8  
1 1 1 22 8  9  o 1.129000       1.220000      195.4041      154.5  
1 1 1 22 8  10 o 11.62000       1.268000      784.9795      103.0  
1 1 1 22 8  11 o -0.1008000     1.169000      173.7864      -120.7 
1 1 1 22 8  12 o 3.366000       1.105000      472.6248      -15.4  
1 1 1 22 8  13 o 0.6953000      1.045000      204.6015      -86.3  
1 1 1 22 8  14 o -0.2510000     1.206000      150.5951      -41.9  
1 1 1 22 8  15 o 10.93000       1.196000      378.6232      9.4    
1 1 1 22 8  16 o 2.615000       1.384000      167.0260      17.7   
1 1 1 22 8  17 o 3.782000       1.260000      311.4499      161.0  
1 1 1 22 8  18 o 9.854000       1.246000      520.7873      -57.7  
1 1 1 22 8  19 o 9.561000       1.350000      426.9643      -178.3 
1 1 1 22 8  20 o 4.128000       1.230000      154.8032      -64.5  
1 1 1 22 8  21 o 5.403000       1.223000      374.1165      127.6  
1 1 1 22 8  22 o 2.163000       1.064000      112.9407      -25.5  
1 1 1 22 8  23 o 7.137000       1.145000      351.3701      136.1  
1 1 1 22 8  24 o -1.015000      1.080000      270.0197      -70.5  
1 1 1 22 8  25 o 1.044000       0.9911000     168.0454      167.2  
1 1 1 22 8  26 o 9.673000       1.050000      468.6359      97.8   
1 1 1 22 8  27 o 5.969000       1.017000      217.5745      70.6   
1 1 1 22 8  28 o 2.088000       1.002000      128.7070      -53.8  
1 1 1 22 8  29 o 0.8259000      1.068000      111.2275      115.3  
1 1 1 22 8  30 o -0.3555000     1.005000      197.7172      -13.4  
1 1 1 22 8  31 o 1.340000       1.064000      147.5812      -89.3  
1 1 1 22 8  32 o 6.732000       1.195000      289.0974      15.8   
1 1 1 22 8  33 o 1.386000       1.008000      223.3333      -172.1 
1 1 1 22 8  34 o 1.513000       1.032000      256.1770      -172.5 
1 1 1 22 8  35 o 2.973000       1.152000      250.7175      -106.7 
1 1 1 22 8  36 o 1.425000       1.239000      313.4552      77.9   
1 1 1 22 8  37 o 4.666000       1.200000      265.7124      -103.6 
1 1 1 22 8  38 o 1.004000       1.122000      45.04878      -96.3  
1 1 1 22 8  39 o 0.5159000      1.068000      198.8678      52.8   
1 1 1 22 8  40 o 1.599000       1.091000      94.91348      46.9   
1 1 1 22 8  41 o 3.270000       1.258000      269.8699      13.8   
1 1 1 22 8  42 o 1.379000       1.280000      131.2927      140.5  
1 1 1 22 8  43 o 2.043000       1.317000      168.2021      15.8   
1 1 1 22 8  44 o -0.5614000     1.385000      307.5627      32.5   
1 1 1 22 8  45 o 6.979000       1.512000      382.4451      -61.4  
1 1 1 22 8  46 o 2.264000       1.356000      106.5700      58.4   
1 1 1 22 8  47 o -2.604000      1.264000      96.73553      -86.1  
1 1 1 22 8  48 o 1.505000       1.295000      47.26883      -6.8   
1 1 1 22 8  49 o 3.626000       1.330000      157.3514      -165.9 
1 1 1 22 8  50 o 0.1131000      1.358000      185.5224      108.4  
1 1 1 22 8  51 o 2.265000       1.371000      251.1729      -58.8  
1 1 1 22 8  52 o -0.9889000     1.340000      46.55692      63.6   
1 1 1 22 8  53 o 4.610000       1.454000      117.3663      134.1  
1 1 1 22 8  54 o 0.7934000      1.623000      ?             ?      
1 1 1 22 8  55 o 1.459000       1.508000      ?             ?      
1 1 1 22 8  56 o -0.5378000     1.396000      ?             ?      
1 1 1 22 8  57 o 0.4821000      1.263000      ?             ?      
1 1 1 22 8  58 o 1.652000       1.258000      ?             ?      
1 1 1 22 8  59 o 2.604000       1.496000      ?             ?      
1 1 1 22 8  60 o 1.887000       1.519000      ?             ?      
1 1 1 22 8  61 o 0.3831000      1.443000      ?             ?      
1 1 1 22 8  62 o 0.5271000      1.438000      ?             ?      
1 1 1 22 8  63 o 0.1254000      1.379000      ?             ?      
1 1 1 22 8  64 o 1.084000       1.292000      ?             ?      
1 1 1 22 8  65 o 1.053000       1.289000      ?             ?      
1 1 1 22 8  66 o -0.1648000     1.295000      ?             ?      
1 1 1 22 8  67 o 3.046000       2.028000      ?             ?      
1 1 1 22 8  68 o 2.692000       1.415000      ?             ?      
1 1 1 22 8  69 o 1.249000       1.615000      ?             ?      
1 1 1 22 8  70 o 0.3974000      1.536000      ?             ?      
1 1 1 22 9  0  o 15.71000       1.813000      654.2025      -0.0   
1 1 1 22 9  1  o 7.129000       0.9541000     476.3852      91.7   
1 1 1 22 9  2  o 2.362000       0.9382000     123.4442      -102.4 
1 1 1 22 9  3  o 1.604000       1.152000      315.4623      -118.9 
1 1 1 22 9  4  o -0.5766000     1.129000      206.0157      36.9   
1 1 1 22 9  5  o -0.8822000     1.148000      266.2121      -102.2 
1 1 1 22 9  6  o 5.748000       1.300000      267.0285      -41.3  
1 1 1 22 9  7  o 5.511000       1.348000      264.0470      149.3  
1 1 1 22 9  8  o 0.7108000      1.528000      166.0372      -54.4  
1 1 1 22 9  9  o 0.9844000      1.384000      274.3505      -149.7 
1 1 1 22 9  10 o -1.037000      1.175000      113.4980      -24.0  
1 1 1 22 9  11 o 10.08000       1.221000      534.7694      128.5  
1 1 1 22 9  12 o -0.2715000     1.117000      185.1223      -125.6 
1 1 1 22 9  13 o 0.5599000      1.047000      96.87170      38.8   
1 1 1 22 9  14 o 0.9757000      1.110000      168.5422      140.3  
1 1 1 22 9  15 o -0.3729000     1.138000      45.14922      -19.8  
1 1 1 22 9  16 o 2.691000       1.262000      433.9533      94.9   
1 1 1 22 9  17 o 1.037000       1.404000      66.39796      61.1   
1 1 1 22 9  18 o 3.404000       1.387000      179.8513      48.0   
1 1 1 22 9  19 o 3.364000       1.322000      126.5979      16.3   
1 1 1 22 9  20 o 3.315000       1.310000      270.5860      -12.7  
1 1 1 22 9  21 o 0.8425000      1.232000      159.2618      -68.0  
1 1 1 22 9  22 o 6.882000       1.195000      477.0690      -124.0 
1 1 1 22 9  23 o 5.661000       1.041000      212.2511      159.1  
1 1 1 22 9  24 o 0.2693000      1.004000      87.22906      -116.6 
1 1 1 22 9  25 o 4.389000       1.007000      43.33418      -53.7  
1 1 1 22 9  26 o -1.163000      1.057000      206.1295      -97.5  
1 1 1 22 9  27 o 5.069000       1.079000      429.6214      10.3   
1 1 1 22 9  28 o 1.423000       0.9985000     301.9620      -157.7 
1 1 1 22 9  29 o 2.821000       1.085000      219.2845      -20.5  
1 1 1 22 9  30 o 2.945000       1.006000      203.9517      146.8  
1 1 1 22 9  31 o -0.5281000     0.9681000     73.45920      -166.4 
1 1 1 22 9  32 o 3.848000       0.9930000     172.3130      67.1   
1 1 1 22 9  33 o 0.1364000      1.007000      60.81633      -32.9  
1 1 1 22 9  34 o 3.140000       1.082000      231.7041      89.8   
1 1 1 22 9  35 o 0.6337000      1.131000      96.95188      -122.6 
1 1 1 22 9  36 o 1.202000       1.269000      196.2796      40.2   
1 1 1 22 9  37 o 1.804000       1.187000      99.22591      4.2    
1 1 1 22 9  38 o 0.6120000      1.065000      257.8476      161.3  
1 1 1 22 9  39 o -0.6065000     1.054000      75.19792      33.5   
1 1 1 22 9  40 o 0.4321000      1.089000      227.8949      43.3   
1 1 1 22 9  41 o 1.322000       1.145000      139.3178      105.7  
1 1 1 22 9  42 o 0.7314000      1.275000      189.9118      27.6   
1 1 1 22 9  43 o -0.4820000     1.382000      13.75753      -25.8  
1 1 1 22 9  44 o -0.4160000     1.532000      73.85475      8.6    
1 1 1 22 9  45 o 0.7564000      1.402000      214.4201      104.6  
1 1 1 22 9  46 o -0.2008000     1.365000      138.4855      129.1  
1 1 1 22 9  47 o -0.4396000     1.276000      60.84850      -86.4  
1 1 1 22 9  48 o -0.5862000     1.297000      154.8096      27.6   
1 1 1 22 9  49 o 1.432000       1.334000      92.44247      39.5   
1 1 1 22 9  50 o 0.2359000      1.351000      132.8853      -138.8 
1 1 1 22 9  51 o 1.635000       1.351000      134.8770      -169.5 
1 1 1 22 9  52 o -2.288000      1.338000      88.36521      24.2   
1 1 1 22 9  53 o -1.473000      1.476000      55.15910      92.6   
1 1 1 22 9  54 o 2.105000       1.548000      ?             ?      
1 1 1 22 9  55 o 1.423000       1.437000      ?             ?      
1 1 1 22 9  56 o 2.409000       1.307000      ?             ?      
1 1 1 22 9  57 o -0.4089000     1.268000      ?             ?      
1 1 1 22 9  58 o -0.9788000     1.249000      ?             ?      
1 1 1 22 9  59 o 0.1064000      1.256000      ?             ?      
1 1 1 22 9  60 o -1.292000      1.401000      ?             ?      
1 1 1 22 9  61 o 0.4007000      1.548000      ?             ?      
1 1 1 22 9  62 o 1.505000       2.003000      ?             ?      
1 1 1 22 9  63 o -0.3941000E-02 1.475000      ?             ?      
1 1 1 22 9  64 o 1.649000       1.497000      ?             ?      
1 1 1 22 9  65 o -2.146000      1.267000      ?             ?      
1 1 1 22 9  66 o -1.368000      1.285000      ?             ?      
1 1 1 22 9  67 o 0.2605000      1.304000      ?             ?      
1 1 1 22 9  68 o -1.205000      1.478000      ?             ?      
1 1 1 22 9  69 o -0.5722000E-01 1.525000      ?             ?      
1 1 1 22 9  70 o 1.382000       1.553000      ?             ?      
1 1 1 22 10 0  o -0.2919000     1.266000      421.9233      -180.0 
1 1 1 22 10 1  o 2.060000       0.9782000     330.7299      -163.3 
1 1 1 22 10 2  o -0.8136000E-01 1.227000      68.13436      92.0   
1 1 1 22 10 3  o 0.7088000      1.217000      282.6204      -10.9  
1 1 1 22 10 4  o -0.9192000     1.194000      72.10448      -25.7  
1 1 1 22 10 5  o 1.637000       1.398000      261.9547      150.8  
1 1 1 22 10 6  o -1.861000      1.337000      275.4570      155.9  
1 1 1 22 10 7  o -1.422000      1.521000      147.4211      -127.4 
1 1 1 22 10 8  o -1.317000      1.169000      139.0277      59.2   
1 1 1 22 10 9  o 0.5059000      1.353000      65.25652      26.5   
1 1 1 22 10 10 o -1.295000      1.137000      91.08484      156.7  
1 1 1 22 10 11 o -0.9358000     1.094000      136.2730      36.8   
1 1 1 22 10 12 o 0.1537000      1.156000      250.2590      167.2  
1 1 1 22 10 13 o 0.6470000E-01  1.090000      160.2512      -114.3 
1 1 1 22 10 14 o 2.944000       1.153000      180.5735      25.0   
1 1 1 22 10 15 o -3.754000      1.405000      172.6637      179.2  
1 1 1 22 10 16 o 1.682000       1.344000      101.6441      133.8  
1 1 1 22 10 17 o 0.5095000E-01  1.256000      140.5196      109.9  
1 1 1 22 10 18 o 0.8093000      1.248000      202.8586      -97.4  
1 1 1 22 10 19 o 5.695000       1.163000      379.0727      -176.7 
1 1 1 22 10 20 o -0.7310000     1.272000      103.5902      169.7  
1 1 1 22 10 21 o 0.2212000      1.170000      152.5348      -99.4  
1 1 1 22 10 22 o -0.8674000     1.141000      55.33507      -2.5   
1 1 1 22 10 23 o 4.366000       1.207000      58.50258      138.1  
1 1 1 22 10 24 o -0.7784000     1.061000      82.02212      -22.2  
1 1 1 22 10 25 o 2.860000       1.130000      211.9585      92.0   
1 1 1 22 10 26 o -0.5207000E-01 1.062000      247.4398      78.9   
1 1 1 22 10 27 o 1.589000       1.074000      136.4574      23.6   
1 1 1 22 10 28 o 0.9627000      1.009000      323.1477      73.8   
1 1 1 22 10 29 o 1.436000       0.9925000     155.3343      11.4   
1 1 1 22 10 30 o 2.581000       0.9876000     125.0632      -11.4  
1 1 1 22 10 31 o 0.3323000      0.9618000     63.74657      -65.9  
1 1 1 22 10 32 o -0.4716000     0.9906000     103.8638      110.9  
1 1 1 22 10 33 o 0.5323000      1.038000      181.8506      -163.0 
1 1 1 22 10 34 o 0.4600000      1.114000      89.57178      179.4  
1 1 1 22 10 35 o 0.1484000      1.210000      71.36888      -172.6 
1 1 1 22 10 36 o 1.729000       1.167000      77.49937      75.3   
1 1 1 22 10 37 o 0.2822000E-01  1.076000      150.4654      -150.9 
1 1 1 22 10 38 o 0.2795000      1.059000      93.42400      158.2  
1 1 1 22 10 39 o 0.2996000      1.051000      103.0520      18.4   
1 1 1 22 10 40 o 0.6502000E-01  1.090000      70.72896      162.3  
1 1 1 22 10 41 o 0.5953000E-01  1.143000      232.1577      74.8   
1 1 1 22 10 42 o 0.2710000      1.276000      126.8247      118.5  
1 1 1 22 10 43 o 1.445000       1.376000      156.7292      127.2  
1 1 1 22 10 44 o 0.7957000E-01  1.326000      122.8996      65.8   
1 1 1 22 10 45 o 1.738000       1.366000      67.20272      -172.2 
1 1 1 22 10 46 o 1.492000       1.477000      100.4745      147.1  
1 1 1 22 10 47 o 0.6161000      1.394000      79.16817      -67.5  
1 1 1 22 10 48 o -0.3127000     1.309000      37.62572      81.4   
1 1 1 22 10 49 o 2.556000       1.348000      71.73497      91.9   
1 1 1 22 10 50 o -0.8643000     1.353000      36.28817      -154.6 
1 1 1 22 10 51 o 1.221000       1.358000      165.6298      -112.3 
1 1 1 22 10 52 o -1.216000      1.434000      83.83212      45.4   
1 1 1 22 10 53 o 1.232000       1.606000      79.26682      -15.0  
1 1 1 22 10 54 o 0.2774000      1.472000      ?             ?      
1 1 1 22 10 55 o -0.9505000     1.387000      ?             ?      
1 1 1 22 10 56 o 2.089000       1.273000      ?             ?      
1 1 1 22 10 57 o 1.544000       1.269000      ?             ?      
1 1 1 22 10 58 o -1.910000      1.234000      ?             ?      
1 1 1 22 10 59 o 1.456000       1.261000      ?             ?      
1 1 1 22 10 60 o -0.1054000     1.402000      ?             ?      
1 1 1 22 10 61 o 2.726000       1.510000      ?             ?      
1 1 1 22 10 62 o -0.2713000     1.535000      ?             ?      
1 1 1 22 10 63 o 0.6769000      1.405000      ?             ?      
1 1 1 22 10 64 o -0.6780000     1.478000      ?             ?      
1 1 1 22 10 65 o 0.4563000      1.289000      ?             ?      
1 1 1 22 10 66 o 0.5028000      1.338000      ?             ?      
1 1 1 22 10 67 o -1.567000      1.462000      ?             ?      
1 1 1 22 10 68 o -0.9430000     1.572000      ?             ?      
1 1 1 22 10 69 o -0.2407000E-01 1.520000      ?             ?      
1 1 1 22 10 70 o 0.1841000      1.351000      ?             ?      
1 1 1 22 11 0  o 0.2325000E-01  1.296000      149.3957      -0.0   
1 1 1 22 11 1  o -0.8298000     1.094000      79.09971      -100.6 
1 1 1 22 11 2  o -0.1323000     1.223000      79.66275      -149.4 
1 1 1 22 11 3  o 2.776000       1.260000      123.5845      -64.1  
1 1 1 22 11 4  o -3.319000      1.141000      188.2407      3.2    
1 1 1 22 11 5  o 0.7373000      1.465000      235.0716      -174.4 
1 1 1 22 11 6  o -1.830000      1.552000      271.3719      -38.3  
1 1 1 22 11 7  o 1.082000       1.611000      302.4524      -118.6 
1 1 1 22 11 8  o 0.2501000E-01  1.209000      51.51446      -83.5  
1 1 1 22 11 9  o -1.166000      1.344000      125.1103      102.3  
1 1 1 22 11 10 o 0.4389000      1.325000      257.0550      113.2  
1 1 1 22 11 11 f 0.6372000      1.166000      69.10235      145.0  
1 1 1 22 11 12 o 0.5744000      1.362000      100.3617      -102.5 
1 1 1 22 11 13 o 0.6229000      1.361000      113.5215      78.0   
1 1 1 22 11 14 o -0.5551000E-01 1.176000      129.5701      -116.0 
1 1 1 22 11 15 o -1.232000      1.378000      272.3996      -96.7  
1 1 1 22 11 16 o -1.976000      1.258000      54.72154      -134.3 
1 1 1 22 11 17 o 0.6923000      1.122000      157.5872      32.4   
1 1 1 22 11 18 o 0.6199000      1.196000      68.27399      -35.3  
1 1 1 22 11 19 o 2.154000       1.124000      189.9909      -0.5   
1 1 1 22 11 20 o 0.1402000E-01  1.142000      205.3966      -56.5  
1 1 1 22 11 21 o -1.039000      1.367000      133.0635      -153.6 
1 1 1 22 11 22 o -0.7509000     1.183000      56.26973      -96.2  
1 1 1 22 11 23 o -0.7088000     1.137000      63.49398      -131.6 
1 1 1 22 11 24 o -0.1015000     1.057000      198.9198      -62.4  
1 1 1 22 11 25 o 0.9617000      0.9873000     36.46436      -134.1 
1 1 1 22 11 26 o -0.2931000     0.9790000     64.67773      29.1   
1 1 1 22 11 27 o 0.5138000      0.9949000     353.1708      -134.0 
1 1 1 22 11 28 o 0.1009000      0.9916000     45.26378      89.0   
1 1 1 22 11 29 o 0.6490000      0.9807000     50.32687      68.1   
1 1 1 22 11 30 o -0.7745000     0.9737000     29.87508      148.7  
1 1 1 22 11 31 o 1.607000       0.9766000     51.23780      109.3  
1 1 1 22 11 32 o 1.032000       1.010000      283.9022      49.8   
1 1 1 22 11 33 o 0.8535000      1.114000      178.1573      -26.9  
1 1 1 22 11 34 o -0.6253000     1.085000      42.67828      43.1   
1 1 1 22 11 35 o -0.7595000     1.275000      115.2823      24.4   
1 1 1 22 11 36 o -0.4120000     1.153000      83.53485      -14.8  
1 1 1 22 11 37 o 1.463000       1.051000      125.7510      -115.6 
1 1 1 22 11 38 o 0.5358000      1.053000      205.4764      -166.7 
1 1 1 22 11 39 o -0.3076000E-02 1.067000      146.3487      87.7   
1 1 1 22 11 40 o 0.3669000      1.107000      53.89425      137.2  
1 1 1 22 11 41 o 2.109000       1.149000      162.8586      -129.5 
1 1 1 22 11 42 o 0.4335000E-01  1.264000      59.79392      120.8  
1 1 1 22 11 43 o 0.6154000      1.297000      172.3620      -74.0  
1 1 1 22 11 44 o -0.9375000E-01 1.321000      157.6736      -141.9 
1 1 1 22 11 45 o 0.1200000      1.587000      15.81498      27.3   
1 1 1 22 11 46 o -1.834000      1.411000      90.71346      -115.3 
1 1 1 22 11 47 o 1.142000       1.411000      138.2330      -130.3 
1 1 1 22 11 48 o 0.1191000      1.328000      86.78060      83.7   
1 1 1 22 11 49 o 0.6295000      1.367000      60.61469      146.6  
1 1 1 22 11 50 o 3.345000       1.371000      198.3855      -93.5  
1 1 1 22 11 51 o -0.2053000     1.347000      53.53032      -50.2  
1 1 1 22 11 52 o -0.7528000     1.489000      48.15264      -10.9  
1 1 1 22 11 53 o -1.214000      1.508000      ?             ?      
1 1 1 22 11 54 o 0.6352000      1.444000      ?             ?      
1 1 1 22 11 55 o 0.4369000      1.266000      ?             ?      
1 1 1 22 11 56 o 2.503000       1.263000      ?             ?      
1 1 1 22 11 57 o 1.874000       1.249000      ?             ?      
1 1 1 22 11 58 o -0.2348000     1.234000      ?             ?      
1 1 1 22 11 59 o 0.4358000      1.248000      ?             ?      
1 1 1 22 11 60 o 1.281000       1.253000      ?             ?      
1 1 1 22 11 61 o 0.6812000      1.390000      ?             ?      
1 1 1 22 11 62 o -2.408000      1.343000      ?             ?      
1 1 1 22 11 63 o 0.5119000      1.384000      ?             ?      
1 1 1 22 11 64 o 0.4010000      2.054000      ?             ?      
1 1 1 22 11 65 o -2.579000      1.488000      ?             ?      
1 1 1 22 11 66 o -0.1770000     1.382000      ?             ?      
1 1 1 22 11 67 o 2.263000       1.488000      ?             ?      
1 1 1 22 11 68 o 0.8659000      1.517000      ?             ?      
1 1 1 22 11 69 o -2.440000      1.488000      ?             ?      
1 1 1 22 12 1  o 1.131000       1.079000      189.7148      1.5    
1 1 1 22 12 2  o -0.3345000     1.214000      138.1024      -18.1  
1 1 1 22 12 3  o 0.4181000      1.409000      242.0933      46.6   
1 1 1 22 12 4  o 2.889000       1.565000      261.9559      -36.2  
1 1 1 22 12 5  o -0.5255000     1.563000      120.4395      27.1   
1 1 1 22 12 6  o 3.066000       1.667000      394.0521      3.8    
1 1 1 22 12 7  o 0.7140000      1.209000      258.1722      37.9   
1 1 1 22 12 8  o 2.799000       1.475000      271.2358      27.6   
1 1 1 22 12 9  o 0.3474000      1.467000      111.0742      178.9  
1 1 1 22 12 10 o -2.173000      1.357000      94.62523      -50.3  
1 1 1 22 12 11 o -1.568000      1.416000      218.6715      -55.2  
1 1 1 22 12 12 o 0.2428000      1.167000      288.4644      -80.5  
1 1 1 22 12 13 o 0.9750000      1.291000      100.1922      -151.6 
1 1 1 22 12 14 o 0.8663000      1.362000      195.1921      150.0  
1 1 1 22 12 15 o 0.1196000      1.197000      145.5569      -83.4  
1 1 1 22 12 16 o 0.7985000      1.150000      231.3984      -151.6 
1 1 1 22 12 17 o -3.042000      1.092000      69.95952      22.3   
1 1 1 22 12 18 o 3.261000       1.185000      127.1111      -168.2 
1 1 1 22 12 19 o 0.7335000      1.182000      82.23627      4.3    
1 1 1 22 12 20 o -0.5677000     1.100000      96.27682      41.5   
1 1 1 22 12 21 o -0.7079000     1.387000      218.5034      -11.6  
1 1 1 22 12 22 o -0.1435000     1.409000      232.9805      -50.6  
1 1 1 22 12 23 o 0.2866000      1.128000      152.2790      -33.1  
1 1 1 22 12 24 o -0.2069000     1.107000      77.49577      22.3   
1 1 1 22 12 25 o -0.9247000     0.9772000     82.26809      -11.4  
1 1 1 22 12 26 o 3.285000       1.012000      415.5613      -8.2   
1 1 1 22 12 27 o 2.491000       1.010000      135.2465      118.0  
1 1 1 22 12 28 o 4.059000       0.9932000     228.6903      97.6   
1 1 1 22 12 29 o 1.972000       0.9753000     164.2052      100.9  
1 1 1 22 12 30 o 0.3520000      0.9731000     141.3301      28.8   
1 1 1 22 12 31 o 3.140000       1.017000      135.3065      98.5   
1 1 1 22 12 32 o -0.6920000     0.9965000     219.0015      133.3  
1 1 1 22 12 33 o 0.4143000      1.076000      82.62934      0.1    
1 1 1 22 12 34 o 0.6253000E-01  1.231000      26.07587      125.7  
1 1 1 22 12 35 o 1.066000       1.133000      60.99496      117.8  
1 1 1 22 12 36 o -0.6886000     1.046000      101.7632      -72.3  
1 1 1 22 12 37 o 1.755000       1.054000      213.4912      148.7  
1 1 1 22 12 38 o -0.4108000     1.058000      111.4010      166.5  
1 1 1 22 12 39 o 3.385000       1.120000      249.3813      -59.9  
1 1 1 22 12 40 o 1.994000       1.111000      154.5738      -75.5  
1 1 1 22 12 41 o 2.309000       1.155000      235.6085      167.9  
1 1 1 22 12 42 o 0.3000000      1.169000      190.5668      87.8   
1 1 1 22 12 43 o 1.058000       1.305000      103.8841      -85.4  
1 1 1 22 12 44 o 1.040000       1.449000      71.82542      160.0  
1 1 1 22 12 45 o 2.965000       1.372000      213.5740      19.3   
1 1 1 22 12 46 o 1.231000       1.420000      84.07239      59.3   
1 1 1 22 12 47 o 0.1559000      1.529000      59.65188      -73.8  
1 1 1 22 12 48 o -0.6659000E-01 1.433000      39.50224      37.9   
1 1 1 22 12 49 o 2.461000       1.391000      212.4689      12.1   
1 1 1 22 12 50 o 1.321000       1.363000      157.3910      -136.3 
1 1 1 22 12 51 o -0.3416000     1.415000      137.8172      69.0   
1 1 1 22 12 52 o -0.8157000     1.493000      56.66658      137.4  
1 1 1 22 12 53 o -0.1048000     1.473000      ?             ?      
1 1 1 22 12 54 o -2.023000      1.357000      ?             ?      
1 1 1 22 12 55 o 2.255000       1.266000      ?             ?      
1 1 1 22 12 56 o 1.085000       1.251000      ?             ?      
1 1 1 22 12 57 o -1.229000      1.226000      ?             ?      
1 1 1 22 12 58 o 2.532000       1.232000      ?             ?      
1 1 1 22 12 59 o 1.677000       1.242000      ?             ?      
1 1 1 22 12 60 o -0.3176000E-01 1.229000      ?             ?      
1 1 1 22 12 61 o 2.430000       1.402000      ?             ?      
1 1 1 22 12 62 o 0.4912000      1.500000      ?             ?      
1 1 1 22 12 63 o -1.662000      1.575000      ?             ?      
1 1 1 22 12 64 o 0.9207000      1.392000      ?             ?      
1 1 1 22 12 65 o -1.058000      1.369000      ?             ?      
1 1 1 22 12 66 o 1.343000       1.391000      ?             ?      
1 1 1 22 12 67 o 2.221000       1.481000      ?             ?      
1 1 1 22 12 68 o -0.1019000     1.505000      ?             ?      
1 1 1 22 12 69 o -0.4336000     1.454000      ?             ?      
1 1 1 22 13 0  o 0.5869000      1.751000      326.5694      0.0    
1 1 1 22 13 1  o 0.3514000      1.210000      227.5175      6.7    
1 1 1 22 13 2  o 3.227000       1.452000      328.5126      -4.6   
1 1 1 22 13 3  o 0.4282000      1.517000      127.6611      104.7  
1 1 1 22 13 4  o 1.656000       1.511000      266.4878      84.8   
1 1 1 22 13 5  o 5.198000       1.635000      605.7886      125.0  
1 1 1 22 13 6  o -0.8559000     1.293000      173.3027      -63.5  
1 1 1 22 13 7  o 1.001000       1.297000      277.1322      131.1  
1 1 1 22 13 8  o 1.440000       1.379000      183.9264      -92.3  
1 1 1 22 13 9  o 4.469000       1.399000      385.7542      64.7   
1 1 1 22 13 10 o 0.7130000      1.522000      219.4807      86.6   
1 1 1 22 13 11 o -1.259000      1.378000      186.3940      101.0  
1 1 1 22 13 12 o 3.864000       1.166000      518.9417      -133.1 
1 1 1 22 13 13 o -1.790000      1.168000      282.7693      3.4    
1 1 1 22 13 14 o 1.337000       1.238000      243.8591      -13.4  
1 1 1 22 13 15 o 11.60000       1.270000      467.7940      -77.6  
1 1 1 22 13 16 o 0.2513000      1.167000      291.6609      -123.2 
1 1 1 22 13 17 o 4.804000       1.116000      349.0787      15.9   
1 1 1 22 13 18 o 0.4809000E-01  1.086000      95.11207      -37.6  
1 1 1 22 13 19 o -1.417000      1.231000      66.78792      152.3  
1 1 1 22 13 20 o 0.9182000      1.086000      155.7002      -11.4  
1 1 1 22 13 21 o 1.155000       1.094000      75.32082      -113.4 
1 1 1 22 13 22 o 1.929000       1.246000      270.4848      -122.3 
1 1 1 22 13 23 o 1.022000       1.123000      141.3176      -121.8 
1 1 1 22 13 24 o 3.847000       1.133000      237.6314      -143.4 
1 1 1 22 13 25 o 1.103000       0.9926000     237.3381      -33.8  
1 1 1 22 13 26 o 8.777000       1.077000      276.8298      -43.9  
1 1 1 22 13 27 o 3.485000       1.012000      127.8705      -172.5 
1 1 1 22 13 28 o 0.2494000      0.9811000     91.85163      69.9   
1 1 1 22 13 29 o 2.200000       0.9765000     108.4714      112.7  
1 1 1 22 13 30 o 2.061000       0.9810000     181.5632      -77.3  
1 1 1 22 13 31 o 0.7046000      0.9996000     251.3062      118.7  
1 1 1 22 13 32 o -0.5252000     0.9963000     84.21855      49.8   
1 1 1 22 13 33 o 0.1659000      1.090000      77.59956      -11.2  
1 1 1 22 13 34 o 2.189000       1.271000      328.7608      61.3   
1 1 1 22 13 35 o 2.681000       1.149000      271.9211      93.1   
1 1 1 22 13 36 o 2.448000       1.047000      338.4173      160.9  
1 1 1 22 13 37 o 3.504000       1.068000      234.6134      154.6  
1 1 1 22 13 38 o 7.353000       1.123000      321.9667      135.8  
1 1 1 22 13 39 o 0.8037000      1.093000      171.8656      16.6   
1 1 1 22 13 40 o 2.038000       1.121000      177.6121      -36.2  
1 1 1 22 13 41 o 1.470000       1.162000      165.3572      -148.9 
1 1 1 22 13 42 o -0.2723000     1.172000      167.5357      -102.6 
1 1 1 22 13 43 o 2.652000       1.342000      262.4710      -130.6 
1 1 1 22 13 44 o 2.453000       1.460000      72.83900      169.4  
1 1 1 22 13 45 o 1.283000       1.377000      175.4621      -104.5 
1 1 1 22 13 46 o 2.622000       1.464000      133.7590      29.5   
1 1 1 22 13 47 o 2.264000       1.472000      169.0391      -144.7 
1 1 1 22 13 48 o 0.2607000      1.451000      96.57729      44.5   
1 1 1 22 13 49 o 4.475000       1.415000      237.8572      -157.3 
1 1 1 22 13 50 o 2.033000       1.362000      62.32200      38.4   
1 1 1 22 13 51 o -1.595000      1.495000      106.7374      -30.9  
1 1 1 22 13 52 o -0.6664000     1.600000      98.67383      134.3  
1 1 1 22 13 53 o -1.057000      1.447000      ?             ?      
1 1 1 22 13 54 o 1.783000       1.264000      ?             ?      
1 1 1 22 13 55 o -1.049000      1.240000      ?             ?      
1 1 1 22 13 56 o -0.5011000     1.233000      ?             ?      
1 1 1 22 13 57 o 0.9204000E-01  1.226000      ?             ?      
1 1 1 22 13 58 o 2.187000       1.237000      ?             ?      
1 1 1 22 13 59 o -1.377000      1.233000      ?             ?      
1 1 1 22 13 60 o 1.563000       1.240000      ?             ?      
1 1 1 22 13 61 o 1.466000       1.410000      ?             ?      
1 1 1 22 13 62 o 0.8827000E-01  1.427000      ?             ?      
1 1 1 22 13 63 o 0.8383000      1.387000      ?             ?      
1 1 1 22 13 64 o 0.9094000      1.377000      ?             ?      
1 1 1 22 13 65 o -0.8321000     1.470000      ?             ?      
1 1 1 22 13 66 o 3.131000       1.620000      ?             ?      
1 1 1 22 13 67 o 0.2460000      2.278000      ?             ?      
1 1 1 22 13 68 o -1.206000      1.517000      ?             ?      
1 1 1 22 13 69 o -0.4800000     1.336000      ?             ?      
1 1 1 22 14 0  o 5.186000       1.834000      339.8730      -0.0   
1 1 1 22 14 1  o 6.485000       1.372000      523.7278      12.4   
1 1 1 22 14 2  o 1.981000       1.296000      188.3887      -178.3 
1 1 1 22 14 3  o 20.14000       1.986000      743.7628      23.8   
1 1 1 22 14 4  o 0.6409000      1.781000      302.0605      99.2   
1 1 1 22 14 5  o -1.845000      1.239000      160.2802      30.7   
1 1 1 22 14 6  o 8.464000       1.313000      573.4042      47.7   
1 1 1 22 14 7  o 7.401000       1.331000      418.5037      40.7   
1 1 1 22 14 8  o 6.977000       1.521000      417.5512      64.1   
1 1 1 22 14 9  o 2.761000       1.381000      207.3012      -129.5 
1 1 1 22 14 10 o 2.902000       1.419000      47.74394      101.3  
1 1 1 22 14 11 f 5.759000       1.359000      483.0882      -13.0  
1 1 1 22 14 12 o 3.113000       1.362000      303.8136      -119.6 
1 1 1 22 14 13 o 8.531000       1.260000      146.7924      -158.6 
1 1 1 22 14 14 o 10.77000       1.312000      294.8795      75.7   
1 1 1 22 14 15 o 17.18000       1.363000      734.3364      -55.1  
1 1 1 22 14 16 o 5.436000       1.188000      473.1566      -22.4  
1 1 1 22 14 17 o 9.815000       1.188000      438.5115      -29.9  
1 1 1 22 14 18 o 0.8562000      1.083000      196.0428      -106.0 
1 1 1 22 14 19 o 4.907000       1.115000      343.2466      -25.1  
1 1 1 22 14 20 o -0.9194000     1.082000      117.7606      134.6  
1 1 1 22 14 21 o 8.672000       1.143000      447.8794      84.2   
1 1 1 22 14 22 o 15.81000       1.377000      617.3286      13.7   
1 1 1 22 14 23 o 8.917000       1.287000      560.0074      -59.1  
1 1 1 22 14 24 o -0.4272000     1.130000      239.1962      38.3   
1 1 1 22 14 25 o 4.996000       1.160000      473.2948      24.5   
1 1 1 22 14 26 o 5.119000       1.030000      462.5957      11.0   
1 1 1 22 14 27 o 0.5123000      0.9974000     80.26920      -91.1  
1 1 1 22 14 28 o 2.817000       0.9969000     221.0414      -165.2 
1 1 1 22 14 29 o 6.062000       1.025000      393.6266      -8.7   
1 1 1 22 14 30 o 0.2458000      0.9883000     112.8485      171.8  
1 1 1 22 14 31 o 10.36000       1.078000      500.5655      129.7  
1 1 1 22 14 32 o 1.629000       1.239000      341.3793      150.3  
1 1 1 22 14 33 o 1.642000       1.195000      110.4369      -57.0  
1 1 1 22 14 34 o 1.178000       1.127000      224.6694      -132.9 
1 1 1 22 14 35 o 4.035000       1.056000      176.8543      -82.0  
1 1 1 22 14 36 o 0.9809000      1.048000      288.4354      -129.9 
1 1 1 22 14 37 o 4.420000       1.087000      427.8047      -146.8 
1 1 1 22 14 38 o 1.728000       1.083000      183.3437      57.3   
1 1 1 22 14 39 o 5.292000       1.113000      223.2614      37.7   
1 1 1 22 14 40 o 0.5921000      1.118000      227.9395      -24.9  
1 1 1 22 14 41 o 2.945000       1.158000      222.0617      27.5   
1 1 1 22 14 42 o 4.912000       1.201000      277.4712      27.4   
1 1 1 22 14 43 o -0.2906000E-01 1.235000      86.13240      -137.8 
1 1 1 22 14 44 o -0.7543000E-01 1.368000      219.0823      132.9  
1 1 1 22 14 45 o 9.012000       1.562000      399.2228      57.3   
1 1 1 22 14 46 o 1.396000       1.406000      200.7760      -54.7  
1 1 1 22 14 47 o 4.123000       1.470000      254.2389      -25.6  
1 1 1 22 14 48 o 0.1454000      1.574000      227.8748      -22.7  
1 1 1 22 14 49 o 3.069000       1.504000      206.8412      113.7  
1 1 1 22 14 50 f 0.3935000      1.457000      203.6845      -157.4 
1 1 1 22 14 51 o 1.413000       1.505000      174.0784      83.1   
1 1 1 22 14 52 o 2.000000       1.512000      ?             ?      
1 1 1 22 14 53 o 2.295000       1.397000      ?             ?      
1 1 1 22 14 54 o 2.253000       1.264000      ?             ?      
1 1 1 22 14 55 o -0.5009000     1.226000      ?             ?      
1 1 1 22 14 56 o 0.2218000      1.224000      ?             ?      
1 1 1 22 14 57 o 3.467000       1.246000      ?             ?      
1 1 1 22 14 58 o 2.211000       1.247000      ?             ?      
1 1 1 22 14 59 o 1.043000       1.242000      ?             ?      
1 1 1 22 14 60 o 1.152000       1.238000      ?             ?      
1 1 1 22 14 61 o -0.2642000     1.249000      ?             ?      
1 1 1 22 14 62 o 3.023000       1.451000      ?             ?      
1 1 1 22 14 63 o -1.414000      1.364000      ?             ?      
1 1 1 22 14 64 o 0.3985000      1.547000      ?             ?      
1 1 1 22 14 65 o 0.7584000      1.645000      ?             ?      
1 1 1 22 14 66 o -0.7314000     1.594000      ?             ?      
1 1 1 22 14 67 o -0.2578000E-01 1.489000      ?             ?      
1 1 1 22 14 68 o 0.4212000      1.814000      ?             ?      
1 1 1 22 14 69 o 1.711000       1.360000      ?             ?      
1 1 1 22 15 0  o 10.42000       1.970000      511.1577      -0.0   
1 1 1 22 15 1  o 2.758000       1.448000      413.5119      128.4  
1 1 1 22 15 2  o 11.67000       1.601000      621.2252      29.8   
1 1 1 22 15 3  o 5.874000       1.676000      564.6909      -152.2 
1 1 1 22 15 4  o 20.53000       1.947000      771.2267      64.5   
1 1 1 22 15 5  o 12.35000       2.386000      564.3396      -161.7 
1 1 1 22 15 6  o 7.712000       1.382000      528.1349      -147.7 
1 1 1 22 15 7  o 22.39000       1.620000      878.9394      120.5  
1 1 1 22 15 8  o 6.249000       1.429000      205.7540      14.7   
1 1 1 22 15 9  o 47.43000       3.007000      886.2468      140.8  
1 1 1 22 15 10 o -1.470000      1.459000      63.65346      -60.2  
1 1 1 22 15 11 o 13.93000       1.443000      660.9314      -162.8 
1 1 1 22 15 12 o 3.300000       1.366000      413.7792      27.3   
1 1 1 22 15 13 o 1.807000       1.489000      266.6862      59.4   
1 1 1 22 15 14 o 8.086000       1.263000      472.4180      70.1   
1 1 1 22 15 15 o 28.14000       1.473000      688.4433      -168.6 
1 1 1 22 15 16 o 29.96000       1.465000      865.1269      42.2   
1 1 1 22 15 17 o -1.184000      1.077000      414.6984      -28.5  
1 1 1 22 15 18 o 0.5074000      1.080000      144.1581      108.7  
1 1 1 22 15 19 f 9.915000       1.139000      589.1575      -111.9 
1 1 1 22 15 20 o 15.95000       1.211000      611.3266      178.5  
1 1 1 22 15 21 o 2.975000       1.090000      345.6866      93.7   
1 1 1 22 15 22 o 4.312000       1.094000      327.4951      131.5  
1 1 1 22 15 23 o 0.4053000      1.252000      137.6477      -131.6 
1 1 1 22 15 24 o 7.817000       1.205000      315.1834      -77.8  
1 1 1 22 15 25 f 1.683000       1.163000      180.4779      -79.8  
1 1 1 22 15 26 o 6.045000       1.185000      391.3107      -52.2  
1 1 1 22 15 27 o 2.280000       0.9943000     255.1991      116.6  
1 1 1 22 15 28 o 10.95000       1.060000      412.4961      -158.1 
1 1 1 22 15 29 o 3.566000       1.022000      108.7646      -123.1 
1 1 1 22 15 30 o 2.693000       1.021000      242.6964      -82.6  
1 1 1 22 15 31 o 0.3915000E-01  1.016000      204.4366      -120.9 
1 1 1 22 15 32 o 5.652000       1.160000      213.6510      126.3  
1 1 1 22 15 33 o 8.507000       1.351000      396.1096      -78.1  
1 1 1 22 15 34 o 0.5154000      1.155000      228.1894      41.2   
1 1 1 22 15 35 o 3.250000       1.052000      233.6398      135.7  
1 1 1 22 15 36 o 0.6445000      1.051000      184.5745      -54.2  
1 1 1 22 15 37 o 31.58000       1.553000      875.1238      155.7  
1 1 1 22 15 38 o -1.858000      1.073000      188.7972      -106.9 
1 1 1 22 15 39 o 0.4856000      1.088000      183.6319      65.9   
1 1 1 22 15 40 o 4.734000       1.151000      255.2397      134.9  
1 1 1 22 15 41 o 3.356000       1.174000      433.2509      81.4   
1 1 1 22 15 42 o 2.508000       1.210000      152.1880      -145.4 
1 1 1 22 15 43 o 8.188000       1.295000      403.7387      179.8  
1 1 1 22 15 44 o 8.693000       1.443000      459.4437      -176.6 
1 1 1 22 15 45 o 4.526000       1.525000      277.1259      0.5    
1 1 1 22 15 46 o -0.9960000E-01 1.395000      190.3836      7.8    
1 1 1 22 15 47 o 3.591000       1.495000      300.6697      153.3  
1 1 1 22 15 48 o 2.082000       1.520000      177.6244      -144.8 
1 1 1 22 15 49 o 4.836000       1.498000      271.3588      -160.4 
1 1 1 22 15 50 o -0.5434000     1.522000      50.16949      -6.7   
1 1 1 22 15 51 o 4.410000       1.816000      314.6114      -25.3  
1 1 1 22 15 52 o 2.525000       1.499000      ?             ?      
1 1 1 22 15 53 o 0.1182000      1.280000      ?             ?      
1 1 1 22 15 54 o 3.934000       1.289000      ?             ?      
1 1 1 22 15 55 o 0.2355000      1.238000      ?             ?      
1 1 1 22 15 56 o 1.077000       1.224000      ?             ?      
1 1 1 22 15 57 o 2.910000       1.228000      ?             ?      
1 1 1 22 15 58 o 3.107000       1.248000      ?             ?      
1 1 1 22 15 59 o 1.467000       1.244000      ?             ?      
1 1 1 22 15 60 o 2.813000       1.250000      ?             ?      
1 1 1 22 15 61 o -0.5864000     1.247000      ?             ?      
1 1 1 22 15 62 o 2.319000       1.434000      ?             ?      
1 1 1 22 15 63 o 2.303000       1.525000      ?             ?      
1 1 1 22 15 64 o 2.659000       1.380000      ?             ?      
1 1 1 22 15 65 o 0.8213000      1.623000      ?             ?      
1 1 1 22 15 66 o 3.273000       1.793000      ?             ?      
1 1 1 22 15 67 o 1.841000       1.501000      ?             ?      
1 1 1 22 15 68 o -0.5579000     1.311000      ?             ?      
1 1 1 22 16 0  o 6.859000       1.976000      377.9965      180.0  
1 1 1 22 16 1  o 50.02000       2.114000      940.6581      -28.0  
1 1 1 22 16 2  o 10.36000       2.840000      471.9141      -168.8 
1 1 1 22 16 4  o 21.72000       1.821000      794.6085      12.1   
1 1 1 22 16 5  o 29.46000       1.838000      867.2486      -77.9  
1 1 1 22 16 6  o 10.04000       1.400000      522.6064      75.6   
1 1 1 22 16 7  o 0.6334000      1.408000      268.4005      -133.4 
1 1 1 22 16 8  o 4.890000       1.422000      413.9625      -125.1 
1 1 1 22 16 9  o 11.31000       1.515000      340.3851      -70.0  
1 1 1 22 16 10 o 17.63000       1.375000      531.4711      -152.8 
1 1 1 22 16 11 o 9.593000       1.360000      472.4732      69.0   
1 1 1 22 16 12 o 37.14000       1.699000      621.0897      -114.6 
1 1 1 22 16 13 o 27.14000       1.583000      639.0604      139.2  
1 1 1 22 16 14 o 45.53000       2.029000      527.2147      -73.9  
1 1 1 22 16 15 o 3.277000       1.182000      228.5985      -88.7  
1 1 1 22 16 16 o 44.42000       1.666000      877.0662      -9.3   
1 1 1 22 16 17 o 3.128000       1.111000      227.3922      -91.6  
1 1 1 22 16 18 o 31.82000       1.369000      785.1585      -51.2  
1 1 1 22 16 19 o 12.36000       1.159000      536.0364      -117.1 
1 1 1 22 16 20 o 41.05000       1.613000      1065.981      120.4  
1 1 1 22 16 21 o 13.48000       1.152000      311.5296      60.5   
1 1 1 22 16 22 o 3.059000       1.066000      222.3083      2.8    
1 1 1 22 16 23 o 3.911000       1.103000      560.9125      -122.9 
1 1 1 22 16 24 o 11.33000       1.349000      646.7882      48.9   
1 1 1 22 16 25 o 42.39000       1.643000      933.1953      19.3   
1 1 1 22 16 26 o 0.8498000      1.168000      141.3200      -50.1  
1 1 1 22 16 27 o 16.07000       1.112000      597.5582      -35.6  
1 1 1 22 16 28 o 0.9728000      0.9995000     164.4048      -157.8 
1 1 1 22 16 29 o 1.429000       1.027000      117.0326      121.4  
1 1 1 22 16 30 o 7.921000       1.071000      319.4906      -177.1 
1 1 1 22 16 31 o 3.816000       1.134000      260.4839      -175.1 
1 1 1 22 16 32 o 12.33000       1.317000      597.1707      -59.5  
1 1 1 22 16 33 o 3.314000       1.151000      178.0330      -69.4  
1 1 1 22 16 34 o 5.125000       1.125000      494.1104      -19.4  
1 1 1 22 16 35 o 7.706000       1.103000      285.5739      -109.9 
1 1 1 22 16 36 o 8.549000       1.119000      345.9286      -140.7 
1 1 1 22 16 37 o -0.7816000E-01 1.194000      56.27409      -28.3  
1 1 1 22 16 38 o 0.6627000      1.096000      104.2666      61.5   
1 1 1 22 16 39 o 0.4522000      1.109000      13.53735      88.9   
1 1 1 22 16 40 o 1.255000       1.133000      159.5132      -60.0  
1 1 1 22 16 41 o 4.003000       1.197000      72.22984      75.0   
1 1 1 22 16 42 o 1.752000       1.222000      141.3746      -133.5 
1 1 1 22 16 43 o 14.62000       1.358000      606.0938      -100.0 
1 1 1 22 16 44 o 3.222000       1.421000      266.7994      96.5   
1 1 1 22 16 45 o 8.583000       1.499000      437.6216      -7.0   
1 1 1 22 16 46 o 0.4740000      1.419000      72.32873      28.5   
1 1 1 22 16 47 o 3.714000       1.466000      152.9720      -44.1  
1 1 1 22 16 48 o 3.231000       1.517000      281.6013      145.6  
1 1 1 22 16 49 o 0.3492000      1.579000      199.9398      43.7   
1 1 1 22 16 50 o 4.490000       1.666000      271.2854      20.0   
1 1 1 22 16 51 o 4.130000       1.567000      309.4385      138.1  
1 1 1 22 16 52 o 2.189000       1.328000      ?             ?      
1 1 1 22 16 53 f 1.782000       1.277000      ?             ?      
1 1 1 22 16 54 o 2.848000       1.266000      ?             ?      
1 1 1 22 16 55 o 3.396000       1.248000      ?             ?      
1 1 1 22 16 56 o 2.677000       1.238000      ?             ?      
1 1 1 22 16 57 o 2.417000       1.237000      ?             ?      
1 1 1 22 16 58 o 1.788000       1.243000      ?             ?      
1 1 1 22 16 59 o 0.5310000      1.233000      ?             ?      
1 1 1 22 16 60 o 0.9857000      1.247000      ?             ?      
1 1 1 22 16 61 o 1.068000       1.253000      ?             ?      
1 1 1 22 16 62 o 4.818000       1.311000      ?             ?      
1 1 1 22 16 63 o 2.678000       1.441000      ?             ?      
1 1 1 22 16 64 o 0.6550000      1.370000      ?             ?      
1 1 1 22 16 65 o 1.132000       1.623000      ?             ?      
1 1 1 22 16 66 o 2.686000       1.849000      ?             ?      
1 1 1 22 16 67 o 1.551000       1.729000      ?             ?      
1 1 1 22 16 68 o 0.5534000      1.312000      ?             ?      
1 1 1 22 17 0  o 18.46000       2.541000      322.1049      -180.0 
1 1 1 22 17 1  o 8.418000       1.765000      478.0392      43.0   
1 1 1 22 17 2  o 82.80000       4.299000      1274.160      27.0   
1 1 1 22 17 3  o 48.08000       2.338000      1081.006      171.0  
1 1 1 22 17 4  o 101.0000       3.252000      1452.220      79.8   
1 1 1 22 17 5  o 60.88000       2.389000      1118.963      -173.1 
1 1 1 22 17 6  o 26.21000       1.763000      941.7964      -38.5  
1 1 1 22 17 7  o 35.98000       2.685000      773.8951      25.7   
1 1 1 22 17 8  o 4.796000       1.481000      140.0729      21.0   
1 1 1 22 17 9  o 13.76000       2.543000      317.0817      4.0    
1 1 1 22 17 10 o 39.04000       1.665000      742.6175      -11.0  
1 1 1 22 17 11 o 8.056000       1.388000      373.8801      112.0  
1 1 1 22 17 12 o 17.04000       1.475000      533.6700      144.1  
1 1 1 22 17 13 o 0.8049000      1.356000      273.0461      -129.5 
1 1 1 22 17 14 o 18.99000       1.635000      599.5024      130.3  
1 1 1 22 17 15 o 38.23000       1.568000      735.9747      122.8  
1 1 1 22 17 16 o 14.26000       1.251000      582.0494      40.9   
1 1 1 22 17 17 o 17.83000       1.239000      536.4220      69.5   
1 1 1 22 17 18 o 5.793000       1.116000      533.0697      48.2   
1 1 1 22 17 19 o 5.100000       1.082000      249.5669      -154.1 
1 1 1 22 17 20 o 25.81000       1.280000      606.3076      -124.1 
1 1 1 22 17 21 o -0.4264000     1.011000      131.4988      -87.5  
1 1 1 22 17 22 o 5.865000       1.077000      203.6717      115.4  
1 1 1 22 17 23 o 15.14000       1.188000      595.2930      -80.3  
1 1 1 22 17 24 o 23.41000       1.479000      723.9921      -157.6 
1 1 1 22 17 25 o 7.678000       1.338000      468.2333      -154.2 
1 1 1 22 17 26 o 7.315000       1.208000      195.4511      163.6  
1 1 1 22 17 27 o 34.02000       1.504000      723.7398      -139.3 
1 1 1 22 17 28 o 9.123000       1.045000      353.4418      -80.3  
1 1 1 22 17 29 f 16.24000       1.254000      493.2229      2.1    
1 1 1 22 17 30 o 2.839000       1.100000      336.6130      -82.7  
1 1 1 22 17 31 o 7.945000       1.182000      420.1789      83.5   
1 1 1 22 17 32 o 1.300000       1.217000      254.7985      134.4  
1 1 1 22 17 33 f 1.538000       1.156000      156.1046      145.0  
1 1 1 22 17 34 o 5.283000       1.074000      382.0918      -126.5 
1 1 1 22 17 35 o -0.5288000     1.068000      181.8251      162.5  
1 1 1 22 17 36 o 8.390000       1.135000      285.8480      -113.9 
1 1 1 22 17 37 o 39.77000       1.799000      774.3004      161.3  
1 1 1 22 17 38 o 16.73000       1.235000      745.9456      -34.0  
1 1 1 22 17 39 o 5.622000       1.148000      269.2165      -147.3 
1 1 1 22 17 40 o 1.831000       1.164000      245.2496      -140.8 
1 1 1 22 17 41 o 41.97000       1.632000      895.9698      5.1    
1 1 1 22 17 42 o -1.435000      1.231000      47.29921      63.5   
1 1 1 22 17 43 o 6.749000       1.296000      161.1608      173.0  
1 1 1 22 17 44 o 8.144000       1.353000      370.8957      -35.0  
1 1 1 22 17 45 o 4.995000       1.484000      199.0901      -40.8  
1 1 1 22 17 46 o -0.2848000     1.567000      236.7649      124.3  
1 1 1 22 17 47 o 16.73000       1.588000      523.7451      171.4  
1 1 1 22 17 48 o 3.033000       1.497000      222.1798      168.8  
1 1 1 22 17 49 o 3.285000       1.696000      177.0946      -165.8 
1 1 1 22 17 50 o 4.172000       1.996000      436.4912      -46.4  
1 1 1 22 17 51 o 1.461000       1.516000      ?             ?      
1 1 1 22 17 52 o 3.264000       1.298000      ?             ?      
1 1 1 22 17 53 o 6.559000       1.302000      ?             ?      
1 1 1 22 17 54 o 1.811000       1.246000      ?             ?      
1 1 1 22 17 55 o 5.164000       1.260000      ?             ?      
1 1 1 22 17 56 o -1.115000      1.219000      ?             ?      
1 1 1 22 17 57 o 5.616000       1.277000      ?             ?      
1 1 1 22 17 58 o 1.788000       1.231000      ?             ?      
1 1 1 22 17 59 o 2.949000       1.242000      ?             ?      
1 1 1 22 17 60 o 0.2472000      1.237000      ?             ?      
1 1 1 22 17 61 o 3.516000       1.269000      ?             ?      
1 1 1 22 17 62 o 1.759000       1.269000      ?             ?      
1 1 1 22 17 63 o 1.637000       1.401000      ?             ?      
1 1 1 22 17 64 o -1.318000      1.563000      ?             ?      
1 1 1 22 17 65 o 0.9146000      1.735000      ?             ?      
1 1 1 22 17 66 o 2.053000       1.997000      ?             ?      
1 1 1 22 17 67 o 2.007000       1.450000      ?             ?      
1 1 1 22 17 68 o 1.360000       1.340000      ?             ?      
1 1 1 22 18 0  o 12.84000       2.448000      540.4691      180.0  
1 1 1 22 18 1  o 22.00000       1.676000      548.5372      -78.4  
1 1 1 22 18 2  o -0.9973000     1.424000      193.5737      -69.9  
1 1 1 22 18 3  o 5.983000       1.529000      359.3100      166.3  
1 1 1 22 18 4  o 20.75000       1.679000      494.7893      -113.9 
1 1 1 22 18 5  o 6.502000       1.272000      239.3178      155.2  
1 1 1 22 18 6  o 7.292000       1.384000      430.9492      120.4  
1 1 1 22 18 7  o 0.9638000      1.365000      149.1698      -51.8  
1 1 1 22 18 8  o 120.5000       4.298000      1219.387      106.5  
1 1 1 22 18 9  o 1.436000       1.265000      112.0817      67.3   
1 1 1 22 18 10 o 29.14000       1.539000      654.6979      -158.7 
1 1 1 22 18 11 o 36.57000       1.661000      755.8378      -63.6  
1 1 1 22 18 12 o 76.24000       2.500000      1180.732      -170.3 
1 1 1 22 18 13 o 30.37000       1.626000      566.8723      -77.6  
1 1 1 22 18 14 o 12.10000       1.483000      397.1860      38.0   
1 1 1 22 18 15 o 2.071000       1.371000      397.7982      150.4  
1 1 1 22 18 16 o 16.64000       1.263000      383.7520      165.6  
1 1 1 22 18 17 o 19.07000       1.220000      668.6505      -131.9 
1 1 1 22 18 18 o 16.88000       1.199000      618.4252      -169.4 
1 1 1 22 18 19 o 23.15000       1.233000      599.8420      161.6  
1 1 1 22 18 20 o 10.91000       1.109000      311.7916      27.8   
1 1 1 22 18 21 o 21.57000       1.169000      703.0567      -63.2  
1 1 1 22 18 22 o 28.95000       1.457000      598.5737      138.1  
1 1 1 22 18 23 o 6.266000       1.111000      342.1675      -133.3 
1 1 1 22 18 24 o 20.88000       1.274000      751.4202      1.8    
1 1 1 22 18 25 o 4.348000       1.293000      448.6918      -57.1  
1 1 1 22 18 26 o 9.495000       1.245000      432.5172      9.7    
1 1 1 22 18 27 o 8.131000       1.221000      528.2382      -2.6   
1 1 1 22 18 28 o 7.487000       1.091000      499.8747      131.1  
1 1 1 22 18 29 o 8.602000       1.047000      373.0776      92.4   
1 1 1 22 18 30 o 20.24000       1.274000      631.3782      -120.6 
1 1 1 22 18 31 o 16.23000       1.373000      406.2201      -107.6 
1 1 1 22 18 32 o 8.132000       1.243000      355.1327      -24.9  
1 1 1 22 18 33 o 5.634000       1.160000      498.5513      -89.0  
1 1 1 22 18 34 o 26.68000       1.305000      668.6599      -130.1 
1 1 1 22 18 35 o 11.90000       1.149000      391.8402      -95.7  
1 1 1 22 18 36 o 19.56000       1.237000      589.6100      -103.1 
1 1 1 22 18 37 o -1.234000      1.116000      147.5850      127.2  
1 1 1 22 18 38 o 31.54000       1.419000      725.8538      -45.8  
1 1 1 22 18 39 o 4.009000       1.161000      246.6588      110.0  
1 1 1 22 18 40 o 14.06000       1.268000      543.7899      49.7   
1 1 1 22 18 41 o 35.69000       1.584000      782.3013      92.7   
1 1 1 22 18 42 o 13.06000       1.329000      524.3502      89.0   
1 1 1 22 18 43 o 4.623000       1.285000      338.7243      -140.8 
1 1 1 22 18 44 o 0.4508000      1.280000      99.61034      -61.6  
1 1 1 22 18 45 o 17.24000       1.584000      560.2088      -0.6   
1 1 1 22 18 46 o 1.700000       1.573000      242.1961      174.6  
1 1 1 22 18 47 o 5.496000       1.487000      266.0767      -141.4 
1 1 1 22 18 48 o 3.222000       1.354000      284.2331      166.9  
1 1 1 22 18 49 o 17.44000       1.836000      520.4667      21.8   
1 1 1 22 18 50 o 0.9272000      1.850000      202.5349      56.6   
1 1 1 22 18 51 o 1.636000       1.436000      ?             ?      
1 1 1 22 18 52 o 8.725000       1.327000      ?             ?      
1 1 1 22 18 53 o 3.382000       1.260000      ?             ?      
1 1 1 22 18 54 o 1.645000       1.226000      ?             ?      
1 1 1 22 18 55 o 1.981000       1.232000      ?             ?      
1 1 1 22 18 56 o 12.16000       1.324000      ?             ?      
1 1 1 22 18 57 o 1.344000       1.242000      ?             ?      
1 1 1 22 18 58 o 1.025000       1.230000      ?             ?      
1 1 1 22 18 59 o 0.4556000      1.236000      ?             ?      
1 1 1 22 18 60 o 1.710000       1.241000      ?             ?      
1 1 1 22 18 61 o 6.056000       1.288000      ?             ?      
1 1 1 22 18 62 o 2.613000       1.261000      ?             ?      
1 1 1 22 18 63 o 0.2249000      1.413000      ?             ?      
1 1 1 22 18 64 o 0.4101000      1.808000      ?             ?      
1 1 1 22 18 65 o -1.565000      1.631000      ?             ?      
1 1 1 22 18 67 o -0.9398000     1.548000      ?             ?      
1 1 1 22 18 68 o 0.9487000      2.179000      ?             ?      
1 1 1 22 19 0  o 7.078000       2.274000      295.7235      -0.0   
1 1 1 22 19 1  o 1.550000       1.629000      100.7546      101.0  
1 1 1 22 19 2  o 9.306000       1.454000      525.7571      -106.9 
1 1 1 22 19 3  o 52.40000       2.520000      908.6125      -139.3 
1 1 1 22 19 4  o 1.469000       1.722000      271.6950      -169.9 
1 1 1 22 19 5  o 39.23000       1.979000      1151.596      97.3   
1 1 1 22 19 6  o 42.21000       1.880000      808.6846      -54.6  
1 1 1 22 19 7  o 6.518000       1.420000      394.2552      -4.5   
1 1 1 22 19 8  o 37.97000       2.062000      813.0577      47.8   
1 1 1 22 19 9  o 24.45000       1.424000      618.4946      -121.0 
1 1 1 22 19 10 o 29.56000       1.719000      534.8006      -47.7  
1 1 1 22 19 11 o 13.02000       1.314000      314.6569      -127.4 
1 1 1 22 19 12 o 13.31000       1.407000      390.3574      31.7   
1 1 1 22 19 13 o 12.77000       1.347000      618.2633      -76.7  
1 1 1 22 19 14 o 21.86000       1.575000      622.7971      -23.1  
1 1 1 22 19 15 o 56.71000       2.190000      1203.832      153.5  
1 1 1 22 19 16 o 6.296000       1.331000      144.9563      1.7    
1 1 1 22 19 17 o 3.697000       1.083000      309.4319      -68.8  
1 1 1 22 19 18 o 42.70000       1.562000      978.5501      26.4   
1 1 1 22 19 19 o 3.448000       1.068000      61.88615      13.2   
1 1 1 22 19 20 o 7.518000       1.070000      601.4186      -49.6  
1 1 1 22 19 21 o 7.420000       1.033000      468.8980      -83.6  
1 1 1 22 19 22 o 9.355000       1.070000      408.6021      -63.9  
1 1 1 22 19 23 o 28.18000       1.325000      603.4793      -120.6 
1 1 1 22 19 24 o 5.065000       1.115000      394.8932      -121.8 
1 1 1 22 19 25 o 10.38000       1.179000      405.7423      -165.7 
1 1 1 22 19 26 o 10.68000       1.347000      452.5903      154.6  
1 1 1 22 19 27 o 9.365000       1.291000      345.6573      116.5  
1 1 1 22 19 28 o 13.20000       1.279000      305.1783      49.1   
1 1 1 22 19 29 o 4.489000       1.097000      158.6927      149.0  
1 1 1 22 19 30 o 4.978000       1.144000      349.5321      165.6  
1 1 1 22 19 31 o 1.838000       1.247000      191.2891      -40.2  
1 1 1 22 19 32 o 4.978000       1.211000      143.3359      -83.7  
1 1 1 22 19 33 o 10.73000       1.163000      403.0093      11.2   
1 1 1 22 19 34 o 22.20000       1.279000      863.1257      -36.8  
1 1 1 22 19 35 o 7.585000       1.126000      276.2452      -90.4  
1 1 1 22 19 36 o 12.38000       1.169000      361.7663      170.9  
1 1 1 22 19 37 o 11.91000       1.177000      480.7664      6.1    
1 1 1 22 19 38 o 5.919000       1.160000      299.3012      -153.1 
1 1 1 22 19 39 o 3.578000       1.168000      224.1088      -152.0 
1 1 1 22 19 40 o 49.86000       1.741000      882.8698      -135.3 
1 1 1 22 19 41 o 8.979000       1.291000      366.7282      -49.9  
1 1 1 22 19 42 o 2.734000       1.251000      218.3817      152.5  
1 1 1 22 19 43 o 3.095000       1.259000      206.5258      -49.3  
1 1 1 22 19 44 o 1.165000       1.265000      254.5567      -14.5  
1 1 1 22 19 45 o 8.210000       1.483000      439.9442      -47.5  
1 1 1 22 19 46 o 2.663000       1.489000      284.4630      141.2  
1 1 1 22 19 47 o 4.149000       1.463000      304.7655      -126.0 
1 1 1 22 19 48 o 0.5785000E-01  1.621000      67.38648      -150.9 
1 1 1 22 19 49 o 7.618000       2.228000      353.9603      -105.2 
1 1 1 22 19 50 o 9.201000       1.754000      ?             ?      
1 1 1 22 19 51 o 5.269000       1.435000      ?             ?      
1 1 1 22 19 52 o 0.7948000      1.279000      ?             ?      
1 1 1 22 19 53 o 7.004000       1.279000      ?             ?      
1 1 1 22 19 54 o -2.480000      1.217000      ?             ?      
1 1 1 22 19 55 o -0.7282000E-02 1.212000      ?             ?      
1 1 1 22 19 56 o 6.392000       1.273000      ?             ?      
1 1 1 22 19 57 o 2.699000       1.241000      ?             ?      
1 1 1 22 19 58 o 1.287000       1.226000      ?             ?      
1 1 1 22 19 59 o 3.385000       1.245000      ?             ?      
1 1 1 22 19 60 o 0.7565000      1.240000      ?             ?      
1 1 1 22 19 61 o -0.2408000     1.237000      ?             ?      
1 1 1 22 19 62 o -0.1139000     1.235000      ?             ?      
1 1 1 22 19 63 o 0.7250000      1.383000      ?             ?      
1 1 1 22 19 64 o -2.770000      1.947000      ?             ?      
1 1 1 22 19 65 o 0.7514000      1.650000      ?             ?      
1 1 1 22 19 66 o 2.898000       1.444000      ?             ?      
1 1 1 22 19 67 o 0.7968000      1.440000      ?             ?      
1 1 1 22 20 0  f 2.910000       2.280000      346.3085      -0.0   
1 1 1 22 20 1  o 71.51000       2.706000      948.5190      -22.1  
1 1 1 22 20 2  o 86.85000       4.442000      1246.384      -10.9  
1 1 1 22 20 3  o 6.393000       1.709000      276.7057      -123.6 
1 1 1 22 20 4  o 77.52000       3.426000      1127.946      -112.4 
1 1 1 22 20 5  o 20.30000       1.572000      625.5228      -124.3 
1 1 1 22 20 6  o 22.64000       2.413000      616.5466      85.4   
1 1 1 22 20 7  o 20.48000       1.537000      538.5875      77.8   
1 1 1 22 20 8  o -0.7451000E-01 1.393000      134.7294      -117.7 
1 1 1 22 20 9  o 32.30000       1.812000      1034.465      -27.6  
1 1 1 22 20 10 o 2.117000       1.258000      407.3446      138.8  
1 1 1 22 20 11 o 1.727000       1.212000      127.5790      33.0   
1 1 1 22 20 12 o 5.647000       1.261000      235.5635      109.0  
1 1 1 22 20 13 o 21.06000       1.458000      663.3672      -34.1  
1 1 1 22 20 14 o 20.43000       1.431000      783.3933      -135.5 
1 1 1 22 20 15 o 3.080000       1.384000      202.7615      79.7   
1 1 1 22 20 16 o 16.27000       1.483000      608.8790      -74.0  
1 1 1 22 20 17 o 35.03000       1.603000      683.0664      -161.4 
1 1 1 22 20 18 o 75.11000       2.031000      1169.614      137.5  
1 1 1 22 20 19 o 18.65000       1.197000      571.7847      117.6  
1 1 1 22 20 20 o 52.18000       1.639000      1008.607      -10.8  
1 1 1 22 20 21 o 2.345000       0.9984000     263.8493      -0.2   
1 1 1 22 20 22 o 11.23000       1.054000      455.4787      172.2  
1 1 1 22 20 23 o 1.330000       1.027000      39.26839      17.4   
1 1 1 22 20 24 o 3.864000       1.115000      474.3941      -133.1 
1 1 1 22 20 25 o 52.66000       1.821000      1005.785      123.8  
1 1 1 22 20 26 o 8.107000       1.345000      448.4546      114.1  
1 1 1 22 20 27 o 10.18000       1.382000      412.7218      -49.4  
1 1 1 22 20 28 o 11.33000       1.314000      498.9136      178.8  
1 1 1 22 20 29 o 3.541000       1.361000      268.0002      23.2   
1 1 1 22 20 30 o 11.63000       1.324000      376.6699      -105.9 
1 1 1 22 20 31 o 17.61000       1.338000      653.1847      176.2  
1 1 1 22 20 32 o 0.3101000      1.149000      156.6850      30.8   
1 1 1 22 20 33 o 1.747000       1.112000      149.9972      -67.1  
1 1 1 22 20 34 o 3.652000       1.130000      351.4480      -114.7 
1 1 1 22 20 35 o 8.808000       1.156000      296.1126      20.5   
1 1 1 22 20 36 o 1.582000       1.094000      45.29241      -48.8  
1 1 1 22 20 37 o 12.53000       1.197000      487.3597      -170.2 
1 1 1 22 20 38 o 7.708000       1.174000      195.7262      -12.5  
1 1 1 22 20 39 o 5.145000       1.184000      348.1581      -2.8   
1 1 1 22 20 40 o 19.07000       1.344000      517.7363      30.0   
1 1 1 22 20 41 o 15.45000       1.314000      510.4785      84.8   
1 1 1 22 20 42 o 2.654000       1.237000      123.0443      46.1   
1 1 1 22 20 43 o -0.1002000     1.244000      123.4111      -158.7 
1 1 1 22 20 44 o 4.092000       1.272000      336.7703      33.5   
1 1 1 22 20 45 o 5.958000       1.317000      234.2367      84.9   
1 1 1 22 20 46 o 1.192000       1.465000      205.1708      -118.2 
1 1 1 22 20 47 o 2.255000       1.607000      7.777419      -120.6 
1 1 1 22 20 48 o 2.381000       1.656000      46.93054      103.2  
1 1 1 22 20 49 o 12.07000       1.573000      642.3329      -45.0  
1 1 1 22 20 50 o 4.352000       1.501000      ?             ?      
1 1 1 22 20 51 o 7.278000       1.542000      ?             ?      
1 1 1 22 20 52 o 2.859000       1.370000      ?             ?      
1 1 1 22 20 53 o -0.6135000     1.225000      ?             ?      
1 1 1 22 20 54 o 10.56000       1.297000      ?             ?      
1 1 1 22 20 55 o 0.2181000E-01  1.218000      ?             ?      
1 1 1 22 20 56 o 7.675000       1.284000      ?             ?      
1 1 1 22 20 57 o 2.292000       1.229000      ?             ?      
1 1 1 22 20 58 o 0.7327000      1.214000      ?             ?      
1 1 1 22 20 59 o 3.973000       1.243000      ?             ?      
1 1 1 22 20 60 o 4.239000       1.268000      ?             ?      
1 1 1 22 20 61 o 2.645000       1.252000      ?             ?      
1 1 1 22 20 62 o -0.2562000     1.238000      ?             ?      
1 1 1 22 20 63 o 3.634000       1.432000      ?             ?      
1 1 1 22 20 64 o -1.382000      2.603000      ?             ?      
1 1 1 22 20 65 o -2.099000      1.862000      ?             ?      
1 1 1 22 20 66 o 3.182000       1.555000      ?             ?      
1 1 1 22 20 67 o 1.363000       1.439000      ?             ?      
1 1 1 22 21 0  o -1.431000      1.739000      197.2679      -180.0 
1 1 1 22 21 1  o 55.72000       2.165000      975.7953      51.3   
1 1 1 22 21 2  o 11.53000       1.596000      396.7302      -116.4 
1 1 1 22 21 3  o 29.77000       2.150000      850.9667      11.7   
1 1 1 22 21 4  o 22.96000       1.528000      567.4350      120.7  
1 1 1 22 21 5  o 4.990000       1.513000      344.8833      130.9  
1 1 1 22 21 6  o 14.90000       2.695000      643.1112      -45.5  
1 1 1 22 21 7  o 32.70000       2.394000      799.3326      59.7   
1 1 1 22 21 8  o 43.43000       1.607000      1017.335      147.5  
1 1 1 22 21 9  o 11.42000       1.410000      496.9425      -57.7  
1 1 1 22 21 10 o 54.53000       1.826000      1284.471      8.7    
1 1 1 22 21 11 o 1.181000       1.480000      478.6809      -157.7 
1 1 1 22 21 12 o -0.9356000E-01 1.538000      283.7275      20.2   
1 1 1 22 21 13 o 71.26000       2.221000      1118.813      -74.4  
1 1 1 22 21 14 o 19.08000       1.403000      553.9907      71.8   
1 1 1 22 21 15 o 9.964000       1.388000      925.1783      134.0  
1 1 1 22 21 16 o 39.51000       1.867000      919.6360      -38.6  
1 1 1 22 21 17 o 6.431000       1.240000      488.1993      -82.9  
1 1 1 22 21 18 o 23.52000       1.420000      851.2416      -25.2  
1 1 1 22 21 19 o 7.996000       1.102000      275.5394      166.6  
1 1 1 22 21 20 o 22.71000       1.247000      606.1456      -90.6  
1 1 1 22 21 21 o 1.666000       1.003000      327.3393      -122.5 
1 1 1 22 21 22 o 21.60000       1.157000      444.8847      -79.6  
1 1 1 22 21 23 o 31.45000       1.489000      645.9982      -100.4 
1 1 1 22 21 24 o 33.58000       1.596000      767.3988      -163.9 
1 1 1 22 21 25 o 10.71000       1.170000      338.4591      -127.3 
1 1 1 22 21 26 o 8.712000       1.140000      462.6964      80.5   
1 1 1 22 21 27 o 2.439000       1.325000      68.77773      -34.0  
1 1 1 22 21 28 o 22.85000       1.704000      715.7977      129.7  
1 1 1 22 21 29 o 19.65000       1.691000      475.8387      -119.4 
1 1 1 22 21 30 o 4.478000       1.280000      354.7275      -153.8 
1 1 1 22 21 31 o 16.47000       1.539000      529.8885      144.2  
1 1 1 22 21 32 o 21.09000       1.260000      617.6685      -38.8  
1 1 1 22 21 33 o 41.55000       1.549000      874.2409      11.0   
1 1 1 22 21 34 o 16.09000       1.228000      503.4059      147.8  
1 1 1 22 21 35 o 8.202000       1.147000      173.3174      -35.3  
1 1 1 22 21 36 o 0.8156000      1.117000      283.8407      164.3  
1 1 1 22 21 37 o 1.637000       1.136000      279.9360      -73.5  
1 1 1 22 21 38 o 5.772000       1.164000      230.3271      -33.0  
1 1 1 22 21 39 o 5.521000       1.194000      223.7090      99.2   
1 1 1 22 21 40 o 16.50000       1.315000      578.3137      157.7  
1 1 1 22 21 41 o 0.6554000      1.212000      79.90826      -93.3  
1 1 1 22 21 42 o 7.056000       1.251000      355.3280      128.9  
1 1 1 22 21 43 o 1.319000       1.243000      187.1905      152.4  
1 1 1 22 21 44 o 9.463000       1.314000      414.9871      -85.6  
1 1 1 22 21 45 o 19.00000       1.425000      574.7781      -33.8  
1 1 1 22 21 46 o 3.711000       1.489000      412.2181      172.7  
1 1 1 22 21 47 o 7.400000       1.884000      482.1762      24.4   
1 1 1 22 21 48 o 0.3501000      2.000000      147.3028      1.6    
1 1 1 22 21 49 o -0.3829000E-01 1.475000      ?             ?      
1 1 1 22 21 50 o 8.840000       1.341000      ?             ?      
1 1 1 22 21 51 o 1.228000       1.382000      ?             ?      
1 1 1 22 21 52 o 9.659000       1.443000      ?             ?      
1 1 1 22 21 53 o 1.172000       1.345000      ?             ?      
1 1 1 22 21 54 o 2.749000       1.231000      ?             ?      
1 1 1 22 21 55 o -0.6852000     1.210000      ?             ?      
1 1 1 22 21 56 o 2.755000       1.227000      ?             ?      
1 1 1 22 21 57 o 0.4681000      1.212000      ?             ?      
1 1 1 22 21 58 o 9.026000       1.277000      ?             ?      
1 1 1 22 21 59 o 2.622000       1.237000      ?             ?      
1 1 1 22 21 60 o -0.8011000     1.234000      ?             ?      
1 1 1 22 21 61 o 1.329000       1.236000      ?             ?      
1 1 1 22 21 62 o -0.2179000E-01 1.391000      ?             ?      
1 1 1 22 21 63 o -2.325000      1.415000      ?             ?      
1 1 1 22 21 64 o 1.993000       2.350000      ?             ?      
1 1 1 22 21 65 o 2.950000       1.502000      ?             ?      
1 1 1 22 21 66 o 0.7276000      1.621000      ?             ?      
1 1 1 22 22 0  o 1.137000       1.688000      172.8617      0.0    
1 1 1 22 22 1  o 0.2833000      1.179000      163.0993      -155.4 
1 1 1 22 22 2  f 6.893000       1.706000      362.2361      58.3   
1 1 1 22 22 3  o 58.76000       2.162000      931.4318      -85.4  
1 1 1 22 22 4  o 30.60000       1.820000      683.7642      -129.0 
1 1 1 22 22 5  o 40.12000       2.000000      928.3458      38.1   
1 1 1 22 22 6  o 28.17000       1.706000      773.2678      0.2    
1 1 1 22 22 7  o 48.43000       1.948000      865.4868      -170.3 
1 1 1 22 22 8  o 11.98000       1.304000      591.2686      -31.9  
1 1 1 22 22 9  o 4.331000       1.493000      324.2549      102.5  
1 1 1 22 22 10 o 1.916000       1.219000      344.5626      139.1  
1 1 1 22 22 11 o 9.990000       1.249000      379.0400      -8.3   
1 1 1 22 22 12 o 26.39000       1.452000      703.0301      -93.8  
1 1 1 22 22 13 o 31.78000       1.545000      1156.639      165.5  
1 1 1 22 22 14 o 0.8712000      1.484000      413.2363      12.8   
1 1 1 22 22 15 o 0.8326000      1.740000      369.2343      -28.8  
1 1 1 22 22 16 o 17.09000       1.459000      623.5452      -44.3  
1 1 1 22 22 17 o -0.3489000     1.233000      225.5710      88.9   
1 1 1 22 22 18 o 39.37000       1.708000      733.1590      -148.0 
1 1 1 22 22 19 o 48.33000       1.855000      1074.425      83.0   
1 1 1 22 22 20 o 73.20000       2.114000      1087.440      -31.7  
1 1 1 22 22 21 o 4.117000       1.065000      339.4905      9.8    
1 1 1 22 22 22 o 9.735000       1.037000      553.2242      164.8  
1 1 1 22 22 23 o 3.530000       0.9884000     271.0283      41.6   
1 1 1 22 22 24 o 4.856000       1.026000      334.1801      47.1   
1 1 1 22 22 25 o 2.524000       1.118000      398.9404      -151.9 
1 1 1 22 22 26 o 1.223000       1.081000      139.2133      26.1   
1 1 1 22 22 27 o 12.16000       1.191000      538.8208      -119.0 
1 1 1 22 22 28 o 9.364000       1.839000      387.9055      -139.0 
1 1 1 22 22 29 o 14.54000       1.642000      533.6834      -126.2 
1 1 1 22 22 30 o 17.78000       1.675000      585.3958      -110.9 
1 1 1 22 22 31 o 3.542000       1.115000      423.2908      92.8   
1 1 1 22 22 32 o 1.946000       1.052000      76.26064      42.0   
1 1 1 22 22 33 o 7.772000       1.108000      533.1353      -14.3  
1 1 1 22 22 34 o 11.82000       1.170000      502.3638      128.9  
1 1 1 22 22 35 o 2.138000       1.110000      175.8523      86.2   
1 1 1 22 22 36 o 5.941000       1.152000      232.4827      46.3   
1 1 1 22 22 37 o 3.126000       1.143000      188.6756      -158.7 
1 1 1 22 22 38 o 1.015000       1.150000      147.7627      79.8   
1 1 1 22 22 39 o 3.603000       1.191000      149.7046      -154.7 
1 1 1 22 22 40 o 19.03000       1.352000      609.4410      -140.1 
1 1 1 22 22 41 o 4.187000       1.229000      230.0464      178.2  
1 1 1 22 22 42 o 2.448000       1.229000      210.8446      -50.6  
1 1 1 22 22 43 o 7.416000       1.287000      250.4957      56.9   
1 1 1 22 22 44 o 4.838000       1.287000      182.2067      179.7  
1 1 1 22 22 45 o 0.1784000E-01  1.269000      113.3932      163.1  
1 1 1 22 22 46 o 1.191000       1.321000      367.3477      75.2   
1 1 1 22 22 47 o 0.2332000      1.645000      137.2444      42.8   
1 1 1 22 22 48 o -0.6432000     1.882000      ?             ?      
1 1 1 22 22 49 o 1.045000       1.431000      ?             ?      
1 1 1 22 22 50 o -0.4210000     1.255000      ?             ?      
1 1 1 22 22 51 o 13.35000       1.480000      ?             ?      
1 1 1 22 22 52 o 6.412000       1.501000      ?             ?      
1 1 1 22 22 53 o 2.414000       1.320000      ?             ?      
1 1 1 22 22 54 o 0.8027000      1.210000      ?             ?      
1 1 1 22 22 55 o 10.50000       1.294000      ?             ?      
1 1 1 22 22 56 o 1.604000       1.217000      ?             ?      
1 1 1 22 22 57 o 2.059000       1.220000      ?             ?      
1 1 1 22 22 58 o 1.646000       1.208000      ?             ?      
1 1 1 22 22 59 o 2.056000       1.241000      ?             ?      
1 1 1 22 22 60 o 2.869000       1.235000      ?             ?      
1 1 1 22 22 61 o 0.1422000      1.226000      ?             ?      
1 1 1 22 22 62 o -0.4152000     1.558000      ?             ?      
1 1 1 22 22 63 o -1.896000      1.456000      ?             ?      
1 1 1 22 22 64 o -0.4324000     1.466000      ?             ?      
1 1 1 22 22 65 o -0.7076000     1.450000      ?             ?      
1 1 1 22 22 66 o 2.505000       1.459000      ?             ?      
1 1 1 22 23 0  o 1.690000       1.582000      238.4511      180.0  
1 1 1 22 23 1  o 4.874000       1.178000      182.4681      146.6  
1 1 1 22 23 2  o 35.62000       1.498000      980.9257      128.5  
1 1 1 22 23 3  o -2.597000      1.218000      73.16156      -176.1 
1 1 1 22 23 4  o 4.807000       1.411000      387.5720      61.6   
1 1 1 22 23 5  o 19.61000       1.614000      591.5156      46.1   
1 1 1 22 23 6  o -1.006000      1.307000      127.7313      36.8   
1 1 1 22 23 7  o 0.1817000      1.331000      205.4391      23.1   
1 1 1 22 23 8  o 6.958000       1.202000      464.8186      -139.4 
1 1 1 22 23 9  o 21.86000       1.595000      740.4534      66.9   
1 1 1 22 23 10 o 21.45000       1.449000      896.3525      -40.2  
1 1 1 22 23 11 o 0.7213000      1.436000      94.58356      -74.8  
1 1 1 22 23 12 o 10.02000       1.533000      395.0748      -165.0 
1 1 1 22 23 13 o -1.992000      1.197000      169.7222      -91.8  
1 1 1 22 23 14 o 14.40000       1.318000      529.3776      20.0   
1 1 1 22 23 15 o 2.590000       1.309000      323.9282      147.1  
1 1 1 22 23 16 o 23.98000       1.581000      925.2374      -52.8  
1 1 1 22 23 17 o -0.8031000     1.402000      280.1529      -138.3 
1 1 1 22 23 18 o 6.103000       1.429000      298.4265      -128.9 
1 1 1 22 23 19 o 17.79000       1.351000      668.6250      83.4   
1 1 1 22 23 20 o 5.563000       1.169000      262.8580      124.6  
1 1 1 22 23 21 o 0.8228000      1.092000      242.8947      147.5  
1 1 1 22 23 22 o 4.971000       1.041000      481.9274      169.9  
1 1 1 22 23 23 o 0.6326000      0.9749000     33.29385      153.4  
1 1 1 22 23 24 o 1.517000       0.9875000     276.7810      4.1    
1 1 1 22 23 25 o 10.38000       1.087000      469.5956      161.7  
1 1 1 22 23 26 o 2.790000       1.112000      237.6160      -28.1  
1 1 1 22 23 27 o 7.784000       1.205000      448.2416      -30.1  
1 1 1 22 23 28 o 13.70000       1.790000      570.7847      -36.6  
1 1 1 22 23 29 o 1.501000       1.709000      79.16238      -75.0  
1 1 1 22 23 30 o 2.615000       1.420000      409.8404      165.6  
1 1 1 22 23 31 o 10.25000       1.472000      325.0201      32.7   
1 1 1 22 23 32 o 13.38000       1.121000      477.5796      -19.6  
1 1 1 22 23 33 o 0.7466000      1.030000      231.7116      -50.3  
1 1 1 22 23 34 o 1.010000       1.051000      218.0350      121.9  
1 1 1 22 23 35 o 1.824000       1.113000      203.9418      109.5  
1 1 1 22 23 36 o 20.37000       1.290000      563.2900      135.9  
1 1 1 22 23 37 o 14.06000       1.245000      605.7635      -122.2 
1 1 1 22 23 38 o 11.03000       1.233000      535.1147      -43.2  
1 1 1 22 23 39 o 2.752000       1.183000      208.1802      92.3   
1 1 1 22 23 40 o 11.45000       1.284000      400.6155      -133.3 
1 1 1 22 23 41 o -0.5757000     1.205000      89.40282      2.1    
1 1 1 22 23 42 o 0.4704000      1.214000      189.7630      96.1   
1 1 1 22 23 43 o 4.947000       1.281000      400.1223      -78.7  
1 1 1 22 23 44 o 6.494000       1.447000      438.9721      -103.5 
1 1 1 22 23 45 o 0.9842000      1.247000      94.30380      -29.1  
1 1 1 22 23 46 o 1.945000       1.413000      244.0834      167.6  
1 1 1 22 23 47 o 8.972000       1.887000      378.9793      -35.1  
1 1 1 22 23 48 o -0.8432000     1.844000      ?             ?      
1 1 1 22 23 49 o 4.826000       1.379000      ?             ?      
1 1 1 22 23 50 o 4.899000       1.278000      ?             ?      
1 1 1 22 23 51 o 0.6143000      1.252000      ?             ?      
1 1 1 22 23 52 o 1.899000       1.367000      ?             ?      
1 1 1 22 23 53 o 5.298000       1.456000      ?             ?      
1 1 1 22 23 54 o 2.071000       1.323000      ?             ?      
1 1 1 22 23 55 o -0.2045000     1.210000      ?             ?      
1 1 1 22 23 56 o 1.537000       1.210000      ?             ?      
1 1 1 22 23 57 o 3.330000       1.220000      ?             ?      
1 1 1 22 23 58 o -1.170000      1.200000      ?             ?      
1 1 1 22 23 59 o 2.420000       1.231000      ?             ?      
1 1 1 22 23 60 o 4.741000       1.377000      ?             ?      
1 1 1 22 23 61 o -1.513000      1.545000      ?             ?      
1 1 1 22 23 62 o -0.4487000     1.607000      ?             ?      
1 1 1 22 23 63 o 0.6247000      1.446000      ?             ?      
1 1 1 22 23 64 o 1.987000       1.287000      ?             ?      
1 1 1 22 23 65 o 2.876000       1.466000      ?             ?      
1 1 1 22 23 66 o -1.049000      2.406000      ?             ?      
1 1 1 22 24 0  o -1.871000      1.559000      64.68746      180.0  
1 1 1 22 24 1  o -3.235000      1.030000      64.44785      -71.5  
1 1 1 22 24 2  o -0.1123000     1.086000      199.0443      51.3   
1 1 1 22 24 3  o 7.164000       1.138000      576.7938      -175.6 
1 1 1 22 24 4  o 2.748000       1.371000      133.5217      113.2  
1 1 1 22 24 5  o 17.29000       1.557000      612.3090      17.7   
1 1 1 22 24 6  o 12.59000       1.991000      648.4764      -143.0 
1 1 1 22 24 7  o 4.080000       1.105000      312.5095      -173.0 
1 1 1 22 24 8  o 3.297000       1.114000      236.5156      113.0  
1 1 1 22 24 9  o 26.78000       1.462000      907.4833      76.6   
1 1 1 22 24 10 o 13.80000       1.534000      553.1828      -117.4 
1 1 1 22 24 11 o 4.136000       1.242000      299.1298      3.9    
1 1 1 22 24 12 o 12.84000       1.350000      450.8827      143.8  
1 1 1 22 24 13 o 4.141000       1.221000      603.3326      56.1   
1 1 1 22 24 14 o 44.52000       2.155000      1035.759      -38.9  
1 1 1 22 24 15 o 2.533000       1.835000      339.5602      75.7   
1 1 1 22 24 16 o 24.40000       1.603000      710.6757      -62.0  
1 1 1 22 24 17 o 0.7732000      1.195000      185.6810      46.6   
1 1 1 22 24 18 o 8.991000       1.237000      421.5943      149.4  
1 1 1 22 24 19 o 10.04000       1.252000      416.8580      73.9   
1 1 1 22 24 20 o 2.166000       1.339000      107.0939      120.3  
1 1 1 22 24 21 o 8.103000       1.194000      265.5080      99.6   
1 1 1 22 24 22 o 2.365000       1.009000      300.5129      166.4  
1 1 1 22 24 23 o 4.438000       1.054000      326.3481      -24.0  
1 1 1 22 24 24 o 2.000000       1.028000      290.5342      -36.9  
1 1 1 22 24 25 o 1.476000       1.017000      216.2760      -136.0 
1 1 1 22 24 26 o 3.285000       1.165000      189.1818      40.2   
1 1 1 22 24 27 o 1.069000       1.151000      185.3255      -33.9  
1 1 1 22 24 28 o 7.029000       1.567000      407.0007      -172.3 
1 1 1 22 24 29 o 4.081000       1.807000      400.3906      -15.9  
1 1 1 22 24 30 o 6.561000       1.440000      327.2403      139.9  
1 1 1 22 24 31 o 3.955000       1.257000      404.8251      2.7    
1 1 1 22 24 32 o 4.471000       1.080000      252.7040      129.2  
1 1 1 22 24 33 o 1.036000       1.007000      194.7305      -164.8 
1 1 1 22 24 34 o 0.1536000      1.035000      140.3630      46.7   
1 1 1 22 24 35 o 14.17000       1.232000      432.3809      -41.0  
1 1 1 22 24 36 o 0.1793000      1.142000      243.8660      -101.5 
1 1 1 22 24 37 o 0.9856000      1.150000      120.4517      65.8   
1 1 1 22 24 38 o 4.456000       1.199000      344.1410      -86.2  
1 1 1 22 24 39 o -0.8315000     1.190000      38.15285      -65.5  
1 1 1 22 24 40 o -1.518000      1.194000      54.48673      -103.2 
1 1 1 22 24 41 o 13.59000       1.368000      438.9408      48.0   
1 1 1 22 24 42 o 6.373000       1.257000      324.3860      13.7   
1 1 1 22 24 43 o 0.6585000      1.255000      153.3843      -153.3 
1 1 1 22 24 44 o 1.970000       1.256000      196.1570      -14.4  
1 1 1 22 24 45 o 11.07000       1.375000      489.4806      -21.3  
1 1 1 22 24 46 o 1.394000       1.389000      140.9328      89.1   
1 1 1 22 24 47 o -0.7230000     1.799000      ?             ?      
1 1 1 22 24 48 o 1.695000       1.591000      ?             ?      
1 1 1 22 24 49 o 1.273000       1.364000      ?             ?      
1 1 1 22 24 50 o 0.9251000      1.352000      ?             ?      
1 1 1 22 24 51 o 6.435000       1.258000      ?             ?      
1 1 1 22 24 52 o 0.8421000      1.326000      ?             ?      
1 1 1 22 24 53 o 6.465000       1.480000      ?             ?      
1 1 1 22 24 54 o 9.207000       1.403000      ?             ?      
1 1 1 22 24 55 o 1.470000       1.198000      ?             ?      
1 1 1 22 24 56 o 0.4229000      1.201000      ?             ?      
1 1 1 22 24 57 o 2.370000       1.221000      ?             ?      
1 1 1 22 24 58 o 1.127000       1.325000      ?             ?      
1 1 1 22 24 59 o 1.354000       1.328000      ?             ?      
1 1 1 22 24 60 o 0.8865000      1.328000      ?             ?      
1 1 1 22 24 61 o 1.370000       1.402000      ?             ?      
1 1 1 22 24 62 o 1.036000       1.436000      ?             ?      
1 1 1 22 24 63 o -0.7967000     1.343000      ?             ?      
1 1 1 22 24 64 o 1.674000       1.397000      ?             ?      
1 1 1 22 24 65 o -0.5154000     1.429000      ?             ?      
1 1 1 22 25 0  o 20.09000       1.544000      518.0940      180.0  
1 1 1 22 25 1  o 1.136000       1.044000      301.4859      16.3   
1 1 1 22 25 2  o 14.51000       1.164000      595.5507      177.1  
1 1 1 22 25 3  o 4.250000       1.096000      226.6920      -63.5  
1 1 1 22 25 4  o 6.791000       1.331000      495.8951      -83.0  
1 1 1 22 25 5  o 22.15000       1.523000      913.1825      -104.0 
1 1 1 22 25 6  o 16.98000       1.383000      435.0105      145.6  
1 1 1 22 25 7  o 6.883000       1.150000      537.0870      -139.8 
1 1 1 22 25 8  o 4.752000       1.128000      442.5509      108.1  
1 1 1 22 25 9  o -1.046000      1.105000      168.7926      85.2   
1 1 1 22 25 10 o 6.629000       1.198000      429.2125      6.8    
1 1 1 22 25 11 o 0.5415000      1.163000      122.7482      39.5   
1 1 1 22 25 12 o 13.58000       1.274000      569.2758      156.4  
1 1 1 22 25 13 o 3.552000       1.268000      225.0809      22.1   
1 1 1 22 25 14 o 1.644000       1.273000      301.4591      -42.4  
1 1 1 22 25 15 o 13.58000       1.252000      377.5568      118.4  
1 1 1 22 25 16 o 5.327000       1.263000      395.9190      -167.7 
1 1 1 22 25 17 o 10.10000       1.542000      470.0873      125.7  
1 1 1 22 25 18 o 7.000000       1.498000      428.3538      144.9  
1 1 1 22 25 19 o 4.513000       1.244000      386.6227      117.4  
1 1 1 22 25 20 o 21.15000       1.382000      667.9406      -176.2 
1 1 1 22 25 21 o 11.62000       1.224000      581.0801      -176.7 
1 1 1 22 25 22 o 8.613000       1.076000      472.9533      111.7  
1 1 1 22 25 23 o -0.6396000     1.101000      145.3252      45.9   
1 1 1 22 25 24 o 11.54000       1.200000      502.7567      32.9   
1 1 1 22 25 25 f 14.06000       1.108000      620.8610      149.9  
1 1 1 22 25 26 o -0.6497000     1.067000      244.0965      -42.7  
1 1 1 22 25 27 o 2.749000       1.328000      268.8679      -23.9  
1 1 1 22 25 28 o -2.225000      1.266000      144.8794      -160.9 
1 1 1 22 25 29 o 0.8445000      1.133000      184.2945      147.4  
1 1 1 22 25 30 o 10.88000       1.393000      461.9560      29.1   
1 1 1 22 25 31 o 22.67000       1.739000      673.8085      -53.2  
1 1 1 22 25 32 o 4.679000       1.181000      229.3592      -171.0 
1 1 1 22 25 33 o 9.350000       1.081000      517.7549      -119.8 
1 1 1 22 25 34 o 7.265000       1.084000      309.1266      74.5   
1 1 1 22 25 35 o 17.11000       1.219000      603.1899      58.3   
1 1 1 22 25 36 o 0.6402000      1.106000      100.8595      -139.3 
1 1 1 22 25 37 o 12.18000       1.251000      417.8324      -115.9 
1 1 1 22 25 38 o 3.813000       1.216000      154.3288      158.8  
1 1 1 22 25 39 o 3.912000       1.189000      310.6391      142.8  
1 1 1 22 25 40 o 6.743000       1.221000      363.0695      100.7  
1 1 1 22 25 41 o 4.835000       1.239000      462.5362      99.6   
1 1 1 22 25 42 o 4.940000       1.268000      308.9621      -100.4 
1 1 1 22 25 43 o 6.417000       1.295000      409.6334      -29.3  
1 1 1 22 25 44 o 5.277000       1.273000      381.3003      -118.0 
1 1 1 22 25 45 o 0.9360000      1.366000      225.1651      141.6  
1 1 1 22 25 46 o 0.9614000      1.515000      ?             ?      
1 1 1 22 25 47 o 5.605000       1.419000      ?             ?      
1 1 1 22 25 48 o 4.814000       1.452000      ?             ?      
1 1 1 22 25 49 o 3.355000       1.522000      ?             ?      
1 1 1 22 25 50 o 5.174000       1.355000      ?             ?      
1 1 1 22 25 51 o 3.503000       1.238000      ?             ?      
1 1 1 22 25 52 o 1.220000       1.202000      ?             ?      
1 1 1 22 25 53 o 2.051000       1.325000      ?             ?      
1 1 1 22 25 54 o 0.4702000      1.419000      ?             ?      
1 1 1 22 25 55 o -1.317000      1.296000      ?             ?      
1 1 1 22 25 56 o 2.262000       1.331000      ?             ?      
1 1 1 22 25 57 o 5.346000       1.371000      ?             ?      
1 1 1 22 25 58 o 0.3752000      1.338000      ?             ?      
1 1 1 22 25 59 o 0.3954000      1.226000      ?             ?      
1 1 1 22 25 60 o 3.289000       1.335000      ?             ?      
1 1 1 22 25 61 o 3.497000       1.441000      ?             ?      
1 1 1 22 25 62 o 0.4086000      1.594000      ?             ?      
1 1 1 22 25 63 o -0.1790000     1.386000      ?             ?      
1 1 1 22 25 64 o 2.926000       1.433000      ?             ?      
1 1 1 22 25 65 o 0.1694000      2.199000      ?             ?      
1 1 1 22 26 0  o 3.986000       1.326000      382.4029      0.0    
1 1 1 22 26 1  o -0.2460000     0.9685000     229.8933      -63.6  
1 1 1 22 26 2  o -0.5296000     1.035000      158.6138      -30.3  
1 1 1 22 26 3  o 2.338000       1.180000      304.9669      -4.7   
1 1 1 22 26 4  o 4.375000       1.278000      391.6201      -1.3   
1 1 1 22 26 5  o -0.2357000     1.230000      224.1127      -41.9  
1 1 1 22 26 6  o -0.2996000     1.066000      147.6776      34.1   
1 1 1 22 26 7  o 5.917000       1.110000      466.6310      129.6  
1 1 1 22 26 8  o 0.9405000      1.097000      94.40061      63.9   
1 1 1 22 26 9  o -0.1730000     1.056000      207.6006      -58.4  
1 1 1 22 26 10 o 5.174000       1.146000      307.5845      -88.7  
1 1 1 22 26 11 o 10.14000       1.205000      423.8440      90.4   
1 1 1 22 26 12 o 1.712000       1.152000      300.6847      127.5  
1 1 1 22 26 13 f 14.82000       1.303000      520.5372      7.9    
1 1 1 22 26 14 o 8.588000       1.180000      421.1731      -70.4  
1 1 1 22 26 15 o -0.1329000     1.123000      46.70371      167.5  
1 1 1 22 26 16 o 16.90000       1.767000      648.2831      -128.8 
1 1 1 22 26 17 o 8.881000       1.372000      614.4783      -53.7  
1 1 1 22 26 18 o 2.647000       1.206000      379.7501      -93.2  
1 1 1 22 26 19 f -1.625000      1.175000      316.4598      107.3  
1 1 1 22 26 20 o 2.910000       1.351000      194.5080      17.9   
1 1 1 22 26 21 o 8.511000       1.404000      442.8735      -105.4 
1 1 1 22 26 22 o -0.9717000     1.113000      116.6996      -166.8 
1 1 1 22 26 23 o 0.3892000      1.001000      309.0211      108.2  
1 1 1 22 26 24 o 0.1790000      0.9931000     54.57363      -71.7  
1 1 1 22 26 25 o 1.855000       1.078000      146.3254      -59.9  
1 1 1 22 26 26 o 2.088000       1.164000      199.5728      -56.7  
1 1 1 22 26 27 o 1.832000       1.116000      102.9365      -86.3  
1 1 1 22 26 28 o 1.847000       1.204000      154.8633      47.8   
1 1 1 22 26 29 o 0.2381000      1.192000      132.3449      -38.8  
1 1 1 22 26 30 o 4.909000       1.277000      223.4547      -105.0 
1 1 1 22 26 31 o 0.1334000      1.239000      226.6240      2.5    
1 1 1 22 26 32 o 1.619000       1.177000      331.5697      145.4  
1 1 1 22 26 33 o 0.7116000      1.189000      47.56118      -81.8  
1 1 1 22 26 34 o 5.687000       1.072000      289.9292      32.7   
1 1 1 22 26 35 o 3.836000       1.064000      286.6693      -92.1  
1 1 1 22 26 36 o 0.2260000      1.074000      107.1893      -178.0 
1 1 1 22 26 37 o 16.14000       1.265000      487.2000      -83.8  
1 1 1 22 26 38 o 6.325000       1.215000      398.9646      -83.2  
1 1 1 22 26 39 o 2.843000       1.157000      168.9982      -169.5 
1 1 1 22 26 40 o 5.241000       1.207000      276.8919      -9.3   
1 1 1 22 26 41 o 2.822000       1.236000      103.7775      -0.4   
1 1 1 22 26 42 o 4.963000       1.288000      362.7282      -30.6  
1 1 1 22 26 43 o 0.8640000      1.240000      182.9453      -18.8  
1 1 1 22 26 44 o 4.394000       1.298000      312.6210      9.3    
1 1 1 22 26 45 o 0.5723000      1.368000      248.9786      -55.2  
1 1 1 22 26 46 o 3.970000       1.530000      ?             ?      
1 1 1 22 26 47 o -0.4954000     1.284000      ?             ?      
1 1 1 22 26 48 o -0.9186000     1.407000      ?             ?      
1 1 1 22 26 49 o 1.318000       1.515000      ?             ?      
1 1 1 22 26 50 o 0.8293000      1.319000      ?             ?      
1 1 1 22 26 51 o -0.7710000E-01 1.288000      ?             ?      
1 1 1 22 26 52 o 3.408000       1.209000      ?             ?      
1 1 1 22 26 53 o 1.110000       1.310000      ?             ?      
1 1 1 22 26 54 o -1.019000      1.411000      ?             ?      
1 1 1 22 26 55 o 1.036000       1.323000      ?             ?      
1 1 1 22 26 56 o -2.753000      1.330000      ?             ?      
1 1 1 22 26 57 o -1.020000      1.218000      ?             ?      
1 1 1 22 26 58 o -0.3502000     1.214000      ?             ?      
1 1 1 22 26 59 o 1.773000       1.240000      ?             ?      
1 1 1 22 26 60 o 3.776000       1.584000      ?             ?      
1 1 1 22 26 61 o -2.085000      1.617000      ?             ?      
1 1 1 22 26 62 o 1.328000       2.515000      ?             ?      
1 1 1 22 26 63 o 0.1320000      1.273000      ?             ?      
1 1 1 22 26 64 o 2.362000       1.282000      ?             ?      
1 1 1 22 27 0  o 0.3775000      1.318000      417.0953      -0.0   
1 1 1 22 27 1  o 4.346000       0.9649000     322.6074      -173.0 
1 1 1 22 27 2  o 12.00000       1.145000      463.7337      -172.3 
1 1 1 22 27 3  o -0.6567000     1.177000      241.8018      -4.7   
1 1 1 22 27 4  o 0.8656000      1.141000      215.8992      -83.2  
1 1 1 22 27 5  o 6.376000       1.273000      419.0179      146.7  
1 1 1 22 27 6  f 5.441000       1.136000      358.0355      131.7  
1 1 1 22 27 7  o -0.1581000     1.033000      106.6669      -159.0 
1 1 1 22 27 8  o 1.849000       1.102000      114.4004      -107.6 
1 1 1 22 27 9  o 2.474000       1.146000      156.4621      121.7  
1 1 1 22 27 10 o 2.131000       1.079000      228.7535      55.4   
1 1 1 22 27 11 o 0.7307000E-01  1.088000      157.2790      100.4  
1 1 1 22 27 12 o -0.3312000     1.085000      31.58244      155.0  
1 1 1 22 27 13 o 2.667000       1.129000      244.5380      -60.7  
1 1 1 22 27 14 o 0.4695000      1.102000      147.7342      -27.6  
1 1 1 22 27 15 o 1.346000       1.105000      168.6493      144.7  
1 1 1 22 27 16 o -1.202000      1.169000      85.13603      21.3   
1 1 1 22 27 17 o 9.927000       1.258000      456.5509      80.5   
1 1 1 22 27 18 o 0.6591000      1.156000      77.95992      -163.0 
1 1 1 22 27 19 o 3.353000       1.278000      268.6824      -142.3 
1 1 1 22 27 20 o 3.213000       1.207000      249.6481      -136.9 
1 1 1 22 27 21 o 3.548000       1.177000      196.3953      108.1  
1 1 1 22 27 22 o 0.7768000      1.156000      227.0110      -117.4 
1 1 1 22 27 23 o 2.526000       1.309000      201.3496      66.4   
1 1 1 22 27 24 o 2.047000       1.161000      314.2905      35.7   
1 1 1 22 27 25 o 3.392000       1.079000      339.2729      134.0  
1 1 1 22 27 26 o -1.616000      1.155000      185.5556      169.5  
1 1 1 22 27 27 o -0.7707000     1.070000      93.91693      51.1   
1 1 1 22 27 28 o 1.879000       1.038000      178.4373      11.8   
1 1 1 22 27 29 o -0.8081000     1.098000      244.3935      78.0   
1 1 1 22 27 30 o -0.4182000     1.098000      184.2315      -76.9  
1 1 1 22 27 31 o 3.552000       1.174000      329.1792      -124.2 
1 1 1 22 27 32 o 14.57000       1.342000      582.3956      -174.2 
1 1 1 22 27 33 o 0.5935000      1.222000      229.8275      -175.3 
1 1 1 22 27 34 o 5.822000       1.130000      390.9565      48.1   
1 1 1 22 27 35 o 2.910000       1.038000      245.3610      -45.9  
1 1 1 22 27 36 o 2.346000       1.053000      225.1508      -4.8   
1 1 1 22 27 37 o 0.7495000E-01  1.079000      81.72108      85.1   
1 1 1 22 27 38 o 2.993000       1.098000      97.73190      20.7   
1 1 1 22 27 39 o 5.369000       1.149000      410.5306      60.1   
1 1 1 22 27 40 o -0.1273000     1.185000      146.8127      173.8  
1 1 1 22 27 41 o 3.618000       1.245000      409.6655      83.1   
1 1 1 22 27 42 o 11.50000       1.314000      503.5522      -37.2  
1 1 1 22 27 43 o 3.904000       1.244000      314.5754      -6.8   
1 1 1 22 27 44 o -0.5639000     1.276000      238.4434      -155.4 
1 1 1 22 27 45 o -1.605000      1.467000      ?             ?      
1 1 1 22 27 46 o 3.098000       1.398000      ?             ?      
1 1 1 22 27 47 o 4.293000       1.257000      ?             ?      
1 1 1 22 27 48 o -1.023000      1.252000      ?             ?      
1 1 1 22 27 49 o 3.432000       1.410000      ?             ?      
1 1 1 22 27 50 o -1.309000      1.448000      ?             ?      
1 1 1 22 27 51 o -0.2904000     1.290000      ?             ?      
1 1 1 22 27 52 o 1.053000       1.305000      ?             ?      
1 1 1 22 27 53 o -2.088000      1.204000      ?             ?      
1 1 1 22 27 54 o 4.745000       1.316000      ?             ?      
1 1 1 22 27 55 o -1.921000      1.396000      ?             ?      
1 1 1 22 27 56 o -1.296000      1.309000      ?             ?      
1 1 1 22 27 57 o 0.8555000      1.203000      ?             ?      
1 1 1 22 27 58 f 0.5120000      1.332000      ?             ?      
1 1 1 22 27 59 o 0.7888000      1.401000      ?             ?      
1 1 1 22 27 60 o 3.256000       1.839000      ?             ?      
1 1 1 22 27 61 o 1.163000       1.423000      ?             ?      
1 1 1 22 27 62 o 1.166000       1.259000      ?             ?      
1 1 1 22 27 63 o 0.5300000      1.280000      ?             ?      
1 1 1 22 28 0  o 3.101000       1.391000      96.38148      180.0  
1 1 1 22 28 1  o 3.731000       0.9751000     252.0502      -111.1 
1 1 1 22 28 2  o 4.889000       1.032000      374.2085      -4.3   
1 1 1 22 28 3  o -1.586000      1.168000      126.9188      -141.1 
1 1 1 22 28 4  o 1.713000       1.130000      182.6834      136.4  
1 1 1 22 28 5  o 0.9720000      1.197000      112.3945      -103.5 
1 1 1 22 28 6  o 1.911000       1.057000      180.6049      55.3   
1 1 1 22 28 7  o 1.796000       1.041000      183.5162      -110.4 
1 1 1 22 28 8  o 0.3502000      1.105000      187.5625      -64.7  
1 1 1 22 28 9  o -0.5456000     1.099000      90.17765      -171.4 
1 1 1 22 28 10 o 0.7810000      1.111000      130.9995      -18.5  
1 1 1 22 28 11 o 2.645000       1.086000      176.4827      108.3  
1 1 1 22 28 12 o 3.916000       1.116000      312.1805      -89.1  
1 1 1 22 28 13 o 10.85000       1.203000      445.2639      -22.2  
1 1 1 22 28 14 o 2.260000       1.110000      212.1217      -144.3 
1 1 1 22 28 15 o 0.4348000      1.097000      251.9089      90.2   
1 1 1 22 28 16 o 13.31000       1.385000      592.8270      -119.8 
1 1 1 22 28 17 o -0.6833000     1.153000      152.8385      4.8    
1 1 1 22 28 18 o 5.854000       1.194000      267.5254      108.6  
1 1 1 22 28 19 o -1.722000      1.171000      146.9170      -25.6  
1 1 1 22 28 20 o 7.763000       1.225000      460.3115      -47.6  
1 1 1 22 28 21 o -2.557000      1.118000      26.45115      41.0   
1 1 1 22 28 22 o 2.302000       1.206000      263.3208      130.9  
1 1 1 22 28 23 o -0.5171000     1.174000      193.3016      18.0   
1 1 1 22 28 24 o 4.652000       1.358000      287.2295      -112.8 
1 1 1 22 28 25 o -1.606000      1.111000      56.55615      -76.5  
1 1 1 22 28 26 o 0.2719000      1.156000      130.4913      -152.0 
1 1 1 22 28 27 o 1.122000       1.158000      157.3055      164.5  
1 1 1 22 28 28 o 2.816000       1.029000      248.0615      -64.7  
1 1 1 22 28 29 o 0.2301000      1.044000      216.3661      -107.7 
1 1 1 22 28 30 o 0.5259000      1.054000      173.3921      -144.7 
1 1 1 22 28 31 o 0.5918000      1.076000      83.32029      -73.8  
1 1 1 22 28 32 o 1.383000       1.320000      27.46354      114.1  
1 1 1 22 28 33 o -1.582000      1.224000      61.98973      -23.1  
1 1 1 22 28 34 o -0.1618000     1.162000      104.3197      128.4  
1 1 1 22 28 35 o -0.1223000     1.153000      139.9448      -98.4  
1 1 1 22 28 36 o 2.044000       1.098000      130.3330      -70.6  
1 1 1 22 28 37 o 1.065000       1.107000      57.01908      55.6   
1 1 1 22 28 38 o 0.6989000      1.079000      26.86965      169.1  
1 1 1 22 28 39 o 3.261000       1.123000      253.3632      -103.7 
1 1 1 22 28 40 o 1.003000       1.133000      226.6070      50.9   
1 1 1 22 28 41 o 1.277000       1.213000      270.5297      -41.8  
1 1 1 22 28 42 o 2.349000       1.236000      266.9877      49.8   
1 1 1 22 28 43 o 2.048000       1.301000      339.7414      34.5   
1 1 1 22 28 44 o 1.939000       1.492000      ?             ?      
1 1 1 22 28 45 o -0.5279000     1.491000      ?             ?      
1 1 1 22 28 46 o 2.638000       1.278000      ?             ?      
1 1 1 22 28 47 o -1.441000      1.205000      ?             ?      
1 1 1 22 28 48 o 2.135000       1.218000      ?             ?      
1 1 1 22 28 49 o -0.5653000     1.345000      ?             ?      
1 1 1 22 28 50 o 2.490000       1.726000      ?             ?      
1 1 1 22 28 51 o -0.7587000     1.300000      ?             ?      
1 1 1 22 28 52 o 2.232000       1.317000      ?             ?      
1 1 1 22 28 53 o -0.1702000     1.192000      ?             ?      
1 1 1 22 28 54 o 0.1777000E-01  1.294000      ?             ?      
1 1 1 22 28 55 o 0.4899000      1.298000      ?             ?      
1 1 1 22 28 56 o -1.359000      1.398000      ?             ?      
1 1 1 22 28 57 o -1.033000      1.416000      ?             ?      
1 1 1 22 28 58 o -0.9013000E-01 1.383000      ?             ?      
1 1 1 22 28 59 o -1.686000      1.381000      ?             ?      
1 1 1 22 28 60 o 0.5362000      1.551000      ?             ?      
1 1 1 22 28 61 o -0.3289000     1.309000      ?             ?      
1 1 1 22 28 62 o 1.003000       1.274000      ?             ?      
1 1 1 22 28 63 o 0.6615000      1.274000      ?             ?      
1 1 1 22 29 0  o -0.7418000E-01 1.366000      186.5678      0.0    
1 1 1 22 29 1  o 4.344000       0.9632000     309.0331      -114.5 
1 1 1 22 29 2  f 3.598000       1.028000      334.7491      -51.7  
1 1 1 22 29 3  o 4.769000       1.030000      365.3748      106.2  
1 1 1 22 29 4  o 1.205000       1.123000      142.1317      -80.5  
1 1 1 22 29 5  o 1.897000       1.032000      139.1424      -136.0 
1 1 1 22 29 6  o 0.1804000      1.022000      169.2982      52.3   
1 1 1 22 29 7  o 3.651000       1.066000      226.7510      120.9  
1 1 1 22 29 8  o 0.9237000      1.078000      101.5536      130.5  
1 1 1 22 29 9  o 4.013000       1.118000      239.4278      115.8  
1 1 1 22 29 10 o 4.121000       1.170000      281.4365      8.9    
1 1 1 22 29 11 o 0.5371000      1.120000      107.9227      13.8   
1 1 1 22 29 12 o 1.057000       1.075000      186.0715      -165.7 
1 1 1 22 29 13 o 4.399000       1.144000      360.6075      -29.8  
1 1 1 22 29 14 o 2.353000       1.098000      244.8298      58.5   
1 1 1 22 29 15 o 1.300000       1.077000      43.45082      -92.7  
1 1 1 22 29 16 o 1.692000       1.153000      214.2801      -111.6 
1 1 1 22 29 17 o 1.227000       1.153000      180.3551      54.8   
1 1 1 22 29 18 o 0.6837000      1.161000      82.46228      -119.0 
1 1 1 22 29 19 o 2.150000       1.181000      295.8391      -133.1 
1 1 1 22 29 20 o -0.1735000     1.129000      84.44753      27.1   
1 1 1 22 29 21 o 2.054000       1.087000      219.9081      119.1  
1 1 1 22 29 22 o -0.4645000     1.108000      33.93337      -103.6 
1 1 1 22 29 23 o -3.593000      1.339000      46.96632      -127.3 
1 1 1 22 29 24 o 0.9605000      1.357000      145.7388      70.2   
1 1 1 22 29 25 o 3.239000       1.213000      27.64035      155.8  
1 1 1 22 29 26 o 1.302000       1.109000      96.76676      -51.2  
1 1 1 22 29 27 o 2.111000       1.044000      122.4099      0.4    
1 1 1 22 29 28 o -1.565000      1.033000      85.74886      -104.8 
1 1 1 22 29 29 f 1.258000       1.017000      33.25045      -57.8  
1 1 1 22 29 30 o -0.7182000     1.086000      165.8423      -151.2 
1 1 1 22 29 31 o -0.7563000     1.076000      115.9239      -115.7 
1 1 1 22 29 32 o -0.5815000     1.093000      91.35062      108.2  
1 1 1 22 29 33 o 1.073000       1.287000      197.3961      155.9  
1 1 1 22 29 34 o 0.5983000      1.191000      133.8599      -5.0   
1 1 1 22 29 35 o 0.2177000      1.269000      85.03519      -155.4 
1 1 1 22 29 36 o 0.2737000      1.121000      139.9410      41.1   
1 1 1 22 29 37 o 1.707000       1.076000      176.3521      -35.9  
1 1 1 22 29 38 o 0.9283000      1.131000      111.4170      -147.4 
1 1 1 22 29 39 o 0.9661000E-01  1.155000      72.38483      109.1  
1 1 1 22 29 40 o -0.9582000     1.170000      73.65628      50.2   
1 1 1 22 29 41 o 1.850000       1.142000      233.9242      70.4   
1 1 1 22 29 42 o 0.4218000      1.187000      150.8940      27.3   
1 1 1 22 29 43 o 1.122000       1.258000      ?             ?      
1 1 1 22 29 44 o 1.329000       1.439000      ?             ?      
1 1 1 22 29 45 o 1.511000       1.277000      ?             ?      
1 1 1 22 29 46 o -0.7888000E-01 1.200000      ?             ?      
1 1 1 22 29 47 o 2.578000       1.216000      ?             ?      
1 1 1 22 29 48 o -0.9434000     1.291000      ?             ?      
1 1 1 22 29 49 o 0.4034000E-01  1.327000      ?             ?      
1 1 1 22 29 50 o 1.572000       1.449000      ?             ?      
1 1 1 22 29 51 o 1.925000       1.324000      ?             ?      
1 1 1 22 29 52 o 1.448000       1.451000      ?             ?      
1 1 1 22 29 53 o -0.7618000E-02 1.190000      ?             ?      
1 1 1 22 29 54 o -0.8940000E-01 1.288000      ?             ?      
1 1 1 22 29 55 o 0.7526000      1.510000      ?             ?      
1 1 1 22 29 56 o 1.950000       1.817000      ?             ?      
1 1 1 22 29 57 o 0.3108000E-01  1.315000      ?             ?      
1 1 1 22 29 58 o -0.1682000E-01 1.267000      ?             ?      
1 1 1 22 29 59 o 0.9960000E-01  1.528000      ?             ?      
1 1 1 22 29 60 o -2.000000      1.828000      ?             ?      
1 1 1 22 29 61 o 0.6964000      1.259000      ?             ?      
1 1 1 22 29 62 o -1.584000      1.261000      ?             ?      
1 1 1 22 30 0  o -0.2842000     1.380000      66.64381      180.0  
1 1 1 22 30 1  o 1.171000       0.9465000     145.3377      -8.5   
1 1 1 22 30 2  o 2.266000       1.020000      212.9188      -11.7  
1 1 1 22 30 3  o 0.2578000      0.9578000     39.81342      131.8  
1 1 1 22 30 4  o 0.2283000      0.9531000     119.4300      -29.6  
1 1 1 22 30 5  o -1.109000      0.9978000     125.8065      123.1  
1 1 1 22 30 6  o 0.1685000      1.006000      136.2594      -160.0 
1 1 1 22 30 7  o -0.2923000E-02 1.020000      155.6681      -131.7 
1 1 1 22 30 8  o 0.6605000      1.032000      204.8438      -39.3  
1 1 1 22 30 9  o 1.707000       1.110000      115.5207      122.7  
1 1 1 22 30 10 o -0.3984000     1.092000      47.87223      74.2   
1 1 1 22 30 11 o 0.7474000      1.115000      53.69604      -175.0 
1 1 1 22 30 12 o 0.6406000      1.118000      122.6197      -82.3  
1 1 1 22 30 13 o 0.6398000      1.071000      144.4171      99.7   
1 1 1 22 30 14 o 0.8172000      1.055000      107.5774      110.0  
1 1 1 22 30 15 o -1.082000      1.048000      34.51241      -24.4  
1 1 1 22 30 16 o -0.6726000     1.169000      66.23662      -173.4 
1 1 1 22 30 17 o -0.2594000     1.139000      155.8994      5.6    
1 1 1 22 30 18 o 0.3782000      1.191000      62.35365      145.5  
1 1 1 22 30 19 o 0.8169000      1.187000      224.9407      -81.2  
1 1 1 22 30 20 o 2.046000       1.150000      217.0636      -80.5  
1 1 1 22 30 21 o 0.5939000      1.082000      185.9434      121.9  
1 1 1 22 30 22 o -0.1713000     1.078000      20.47300      57.7   
1 1 1 22 30 23 o 0.2121000      1.279000      105.8449      -139.1 
1 1 1 22 30 24 o -1.428000      1.320000      119.5133      -31.9  
1 1 1 22 30 25 o 2.892000       1.168000      172.8748      156.3  
1 1 1 22 30 26 o 0.2414000      1.259000      118.3924      -39.2  
1 1 1 22 30 27 o -0.4836000     1.051000      64.60947      -43.7  
1 1 1 22 30 28 o 3.054000       1.041000      96.08523      -138.7 
1 1 1 22 30 29 o 0.4022000E-01  1.037000      58.20275      68.2   
1 1 1 22 30 30 o 0.5492000      0.9831000     65.08720      55.4   
1 1 1 22 30 31 o 3.228000       1.109000      209.9429      -93.5  
1 1 1 22 30 32 o 0.3514000      1.153000      78.06350      70.8   
1 1 1 22 30 33 o 0.9166000      1.161000      39.30695      -49.5  
1 1 1 22 30 34 o 0.3501000      1.204000      105.8945      -94.8  
1 1 1 22 30 35 o 0.2060000      1.209000      121.8424      130.0  
1 1 1 22 30 36 o -1.646000      1.216000      126.8334      8.3    
1 1 1 22 30 37 o 0.2137000      1.098000      161.5222      -35.7  
1 1 1 22 30 38 o 0.1989000      1.154000      51.32663      115.3  
1 1 1 22 30 39 o 0.1265000      1.147000      64.67976      -99.4  
1 1 1 22 30 40 o 0.8109000      1.103000      31.47283      -78.0  
1 1 1 22 30 41 o -0.3382000     1.167000      100.5884      47.1   
1 1 1 22 30 42 o 0.9681000      1.200000      ?             ?      
1 1 1 22 30 43 o -0.5680000     1.413000      ?             ?      
1 1 1 22 30 44 o 1.192000       1.428000      ?             ?      
1 1 1 22 30 45 o 3.138000       1.269000      ?             ?      
1 1 1 22 30 46 o 1.018000       1.305000      ?             ?      
1 1 1 22 30 47 o -0.1739000     1.175000      ?             ?      
1 1 1 22 30 48 o -0.1715000     1.292000      ?             ?      
1 1 1 22 30 49 o 0.4565000      1.172000      ?             ?      
1 1 1 22 30 50 o -2.144000      1.309000      ?             ?      
1 1 1 22 30 51 o 2.676000       1.430000      ?             ?      
1 1 1 22 30 52 f -1.338000      1.265000      ?             ?      
1 1 1 22 30 53 o 1.017000       1.314000      ?             ?      
1 1 1 22 30 54 o -1.726000      1.342000      ?             ?      
1 1 1 22 30 55 o 1.353000       1.201000      ?             ?      
1 1 1 22 30 56 o 1.107000       1.319000      ?             ?      
1 1 1 22 30 57 o 2.339000       1.445000      ?             ?      
1 1 1 22 30 58 o 0.5255000      1.518000      ?             ?      
1 1 1 22 30 59 o 1.220000       1.515000      ?             ?      
1 1 1 22 30 60 o -0.1043000     1.826000      ?             ?      
1 1 1 22 30 61 o -1.149000      1.251000      ?             ?      
1 1 1 22 30 62 o 1.488000       1.269000      ?             ?      
1 1 1 22 31 0  o -1.512000      1.392000      73.66625      180.0  
1 1 1 22 31 1  o 0.2993000      1.064000      82.52593      -32.0  
1 1 1 22 31 2  o 0.7055000      1.004000      98.08584      49.5   
1 1 1 22 31 3  o 0.9077000      0.9605000     96.21984      -160.0 
1 1 1 22 31 4  o 1.560000       0.9129000     7.586941      107.7  
1 1 1 22 31 5  o -1.234000      1.016000      76.27234      81.1   
1 1 1 22 31 6  o 1.159000       0.9974000     57.98590      20.6   
1 1 1 22 31 7  o 0.1149000      0.9931000     90.83871      -165.5 
1 1 1 22 31 8  o 0.1115000      1.026000      82.60303      -143.6 
1 1 1 22 31 9  o -0.1465000     1.048000      66.93944      46.1   
1 1 1 22 31 10 o -0.8321000E-01 1.089000      15.81950      131.6  
1 1 1 22 31 11 o -0.5676000     1.092000      19.16281      16.5   
1 1 1 22 31 12 o 0.8887000      1.099000      20.14235      -93.9  
1 1 1 22 31 13 o 0.4408000      1.103000      115.7880      33.6   
1 1 1 22 31 14 o 0.7410000      1.037000      107.4871      137.2  
1 1 1 22 31 15 o 1.623000       1.052000      77.13771      -131.7 
1 1 1 22 31 16 o 0.5453000E-02  1.149000      63.11158      -113.4 
1 1 1 22 31 17 o -1.798000      1.161000      38.70625      -168.7 
1 1 1 22 31 18 o 1.616000       1.164000      207.6080      61.5   
1 1 1 22 31 19 o 1.516000       1.172000      101.3099      -135.9 
1 1 1 22 31 20 o -0.4342000     1.171000      50.55620      2.2    
1 1 1 22 31 21 o 1.415000       1.138000      91.53179      96.4   
1 1 1 22 31 22 o -0.4051000E-01 1.228000      69.41410      -129.2 
1 1 1 22 31 23 o 0.4807000      1.251000      29.51858      155.5  
1 1 1 22 31 24 o 0.9907000      1.134000      42.64207      -64.0  
1 1 1 22 31 25 o 2.432000       1.148000      113.0327      117.7  
1 1 1 22 31 26 o -1.823000      1.241000      45.96496      12.9   
1 1 1 22 31 27 o -0.5668000     1.219000      82.37440      -119.4 
1 1 1 22 31 28 o -0.2090000     0.9892000     50.84214      -145.6 
1 1 1 22 31 29 o 1.605000       0.9548000     121.9748      -149.0 
1 1 1 22 31 30 o -0.2722000     0.9773000     59.17815      162.8  
1 1 1 22 31 31 o 0.8847000      1.085000      24.47520      148.0  
1 1 1 22 31 32 o -1.006000      1.189000      109.9638      58.0   
1 1 1 22 31 33 o 0.6329000      1.129000      48.17050      -167.7 
1 1 1 22 31 34 o -2.510000      1.250000      56.43084      82.6   
1 1 1 22 31 35 o -0.4109000     1.307000      62.56645      77.2   
1 1 1 22 31 36 o -0.1457000     1.305000      43.52203      8.9    
1 1 1 22 31 37 o -1.131000      1.150000      49.38634      -136.6 
1 1 1 22 31 38 o -0.8958000     1.101000      98.90298      -4.1   
1 1 1 22 31 39 o 0.3534000      1.108000      35.47866      -99.4  
1 1 1 22 31 40 o 0.9952000      1.115000      51.24352      -142.0 
1 1 1 22 31 41 o 0.1989000      1.145000      ?             ?      
1 1 1 22 31 42 o -0.4027000     1.190000      ?             ?      
1 1 1 22 31 43 o -0.1526000     1.370000      ?             ?      
1 1 1 22 31 44 o 0.5960000      1.447000      ?             ?      
1 1 1 22 31 45 o 0.5822000      1.462000      ?             ?      
1 1 1 22 31 46 o -0.9263000     1.422000      ?             ?      
1 1 1 22 31 47 o 1.027000       1.162000      ?             ?      
1 1 1 22 31 48 o -0.9351000     1.143000      ?             ?      
1 1 1 22 31 49 o 0.6025000E-01  1.151000      ?             ?      
1 1 1 22 31 50 o -2.178000      1.392000      ?             ?      
1 1 1 22 31 51 o 1.184000       1.425000      ?             ?      
1 1 1 22 31 52 o -1.167000      1.399000      ?             ?      
1 1 1 22 31 53 o 0.2681000      1.288000      ?             ?      
1 1 1 22 31 54 o 0.8316000      1.172000      ?             ?      
1 1 1 22 31 55 o -1.826000      1.173000      ?             ?      
1 1 1 22 31 56 o 0.6111000      1.306000      ?             ?      
1 1 1 22 31 57 o 0.4746000      1.395000      ?             ?      
1 1 1 22 31 58 o 1.814000       1.669000      ?             ?      
1 1 1 22 31 59 o 0.9898000      1.381000      ?             ?      
1 1 1 22 31 60 o 0.1295000      1.228000      ?             ?      
1 1 1 22 31 61 o -0.7213000     1.248000      ?             ?      
1 1 1 22 32 0  o 0.5950000      1.424000      100.6514      0.0    
1 1 1 22 32 1  o -0.9923000     1.067000      84.35713      -150.2 
1 1 1 22 32 2  o 0.1721000      0.9530000     30.02565      164.5  
1 1 1 22 32 3  o -1.427000      0.9300000     95.93683      84.0   
1 1 1 22 32 4  o -0.9575000     0.8881000     106.6189      81.5   
1 1 1 22 32 5  o -0.5896000E-01 0.8869000     113.8031      -167.9 
1 1 1 22 32 6  o 0.4274000E-01  0.9973000     172.5762      55.4   
1 1 1 22 32 7  o 0.5877000      1.017000      80.17875      -90.6  
1 1 1 22 32 8  o -0.1332000     1.025000      90.11040      -138.4 
1 1 1 22 32 9  o -0.2556000     1.064000      47.01266      124.4  
1 1 1 22 32 10 o -0.6287000     1.053000      37.77167      145.8  
1 1 1 22 32 11 o -2.643000      1.073000      70.12272      4.3    
1 1 1 22 32 12 o 2.207000       1.087000      105.6053      57.9   
1 1 1 22 32 13 o 0.5481000E-01  1.076000      88.43105      60.4   
1 1 1 22 32 14 o -0.7412000     1.085000      37.67380      -36.4  
1 1 1 22 32 15 o -1.596000      1.035000      44.79902      -45.8  
1 1 1 22 32 16 f 0.2152000      1.194000      119.0626      -118.0 
1 1 1 22 32 17 o 0.3345000      1.163000      85.93181      130.1  
1 1 1 22 32 18 o -2.372000      1.167000      33.06457      141.6  
1 1 1 22 32 19 o 1.323000       1.197000      74.57117      -23.9  
1 1 1 22 32 20 o -0.1309000     1.173000      81.87769      -98.1  
1 1 1 22 32 21 o 0.4895000      1.144000      86.29725      70.1   
1 1 1 22 32 22 o 1.365000       1.276000      33.01554      64.5   
1 1 1 22 32 23 o -1.236000      1.296000      32.00546      49.6   
1 1 1 22 32 24 o 0.3387000      1.122000      96.20707      93.5   
1 1 1 22 32 25 o -2.110000      1.274000      52.39092      -51.8  
1 1 1 22 32 26 o 1.207000       1.265000      101.6003      6.3    
1 1 1 22 32 27 o 0.5525000      1.109000      23.56342      -32.5  
1 1 1 22 32 28 o 0.3430000      1.087000      33.30138      -146.1 
1 1 1 22 32 29 o 0.8421000E-01  0.9782000     46.63083      27.3   
1 1 1 22 32 30 o -0.2834000     0.9624000     13.80054      -49.1  
1 1 1 22 32 31 o 1.490000       0.9942000     41.60764      -135.2 
1 1 1 22 32 32 o -0.1592000     1.024000      14.58409      -16.6  
1 1 1 22 32 33 o -0.7217000     1.129000      37.71634      -80.8  
1 1 1 22 32 34 o 1.980000       1.255000      59.44988      26.2   
1 1 1 22 32 35 o 2.081000       1.391000      120.5755      119.0  
1 1 1 22 32 36 o -0.6976000     1.251000      63.02912      -42.2  
1 1 1 22 32 37 o 1.832000       1.371000      64.27151      9.9    
1 1 1 22 32 38 o 1.022000       1.179000      29.98158      -55.8  
1 1 1 22 32 39 o 0.4555000      1.156000      7.867864      156.9  
1 1 1 22 32 40 o -0.6443000     1.097000      ?             ?      
1 1 1 22 32 41 o -2.395000      1.282000      ?             ?      
1 1 1 22 32 42 o 0.4368000      1.485000      ?             ?      
1 1 1 22 32 43 o 2.833000       1.518000      ?             ?      
1 1 1 22 32 44 o 0.3508000      1.214000      ?             ?      
1 1 1 22 32 45 o 1.150000       1.127000      ?             ?      
1 1 1 22 32 46 o 0.3095000      1.127000      ?             ?      
1 1 1 22 32 47 o -1.817000      1.131000      ?             ?      
1 1 1 22 32 48 o -0.9288000E-01 1.381000      ?             ?      
1 1 1 22 32 49 o 2.242000       1.371000      ?             ?      
1 1 1 22 32 50 o -1.457000      1.289000      ?             ?      
1 1 1 22 32 51 o -0.5329000     1.323000      ?             ?      
1 1 1 22 32 52 o 0.7854000E-01  1.405000      ?             ?      
1 1 1 22 32 53 o 2.084000       1.287000      ?             ?      
1 1 1 22 32 54 o -1.411000      1.174000      ?             ?      
1 1 1 22 32 55 o 2.856000       1.189000      ?             ?      
1 1 1 22 32 56 o -0.9478000E-01 1.196000      ?             ?      
1 1 1 22 32 57 o -0.9162000     1.554000      ?             ?      
1 1 1 22 32 58 o -3.660000      2.108000      ?             ?      
1 1 1 22 32 59 o -0.5169000     1.454000      ?             ?      
1 1 1 22 32 60 o 0.8875000      1.237000      ?             ?      
1 1 1 22 33 0  o -2.907000      1.412000      31.52939      -180.0 
1 1 1 22 33 1  o -1.881000      1.043000      46.22898      -64.0  
1 1 1 22 33 2  o -0.5133000E-01 0.9332000     87.06423      -88.8  
1 1 1 22 33 3  o -0.2164000     0.9072000     125.9335      -119.6 
1 1 1 22 33 4  o -0.3355000     0.8733000     146.1925      7.4    
1 1 1 22 33 5  o 0.8951000      0.8616000     74.37531      -168.8 
1 1 1 22 33 6  o -0.2574000     0.8838000     124.9522      -15.0  
1 1 1 22 33 7  o 0.6596000      1.063000      78.95564      4.1    
1 1 1 22 33 8  o 0.3775000      1.042000      53.42649      39.9   
1 1 1 22 33 9  o 0.4723000      1.056000      55.45821      165.5  
1 1 1 22 33 10 o -1.395000      1.027000      97.86355      110.7  
1 1 1 22 33 11 o 1.119000       1.058000      103.1819      -89.0  
1 1 1 22 33 12 o 0.3544000      1.112000      102.0827      102.3  
1 1 1 22 33 13 o -1.076000      1.087000      56.18554      -23.2  
1 1 1 22 33 14 o -0.2001000     1.117000      33.23037      -3.6   
1 1 1 22 33 15 o 1.868000       1.174000      28.91520      81.2   
1 1 1 22 33 16 o -0.1570000     1.081000      64.18410      -8.7   
1 1 1 22 33 17 o 0.5587000      1.162000      118.7123      24.9   
1 1 1 22 33 18 f 0.3061000      1.193000      108.1197      67.1   
1 1 1 22 33 19 o -1.182000      1.181000      28.23417      -131.2 
1 1 1 22 33 20 o -0.4919000     1.193000      54.07389      -164.5 
1 1 1 22 33 21 o -1.820000      1.331000      18.60795      -107.8 
1 1 1 22 33 22 o -0.5439000     1.332000      89.17631      118.8  
1 1 1 22 33 23 o -1.471000      1.131000      40.93372      151.6  
1 1 1 22 33 24 o 0.3831000      1.108000      19.21371      136.5  
1 1 1 22 33 25 o 0.6190000      1.254000      31.47106      104.9  
1 1 1 22 33 26 o 0.3840000      1.283000      92.92036      156.4  
1 1 1 22 33 27 o 0.3784000E-01  1.116000      89.36246      -106.2 
1 1 1 22 33 28 o -0.4787000E-01 1.096000      28.99828      65.8   
1 1 1 22 33 29 o 0.8254000      1.106000      60.76947      -99.2  
1 1 1 22 33 30 o -1.203000      1.170000      33.84763      72.9   
1 1 1 22 33 31 o 2.011000       0.9997000     75.99163      -34.6  
1 1 1 22 33 32 o 1.338000       1.042000      133.0359      59.9   
1 1 1 22 33 33 o -0.2682000     1.142000      32.13151      -40.8  
1 1 1 22 33 34 o 1.016000       1.156000      60.16975      -106.9 
1 1 1 22 33 35 o 0.2476000E-01  1.174000      34.39352      82.5   
1 1 1 22 33 36 o 1.464000       1.421000      75.71614      67.7   
1 1 1 22 33 37 o 2.093000       1.334000      24.64039      -99.9  
1 1 1 22 33 38 o 1.107000       1.328000      55.63565      -76.4  
1 1 1 22 33 39 o 1.505000       1.229000      ?             ?      
1 1 1 22 33 40 o 1.278000       1.175000      ?             ?      
1 1 1 22 33 41 o -1.410000      1.206000      ?             ?      
1 1 1 22 33 42 o -0.2739000E-01 1.241000      ?             ?      
1 1 1 22 33 43 o -0.4603000     1.098000      ?             ?      
1 1 1 22 33 44 o 0.5565000E-01  1.063000      ?             ?      
1 1 1 22 33 45 o -1.336000      1.055000      ?             ?      
1 1 1 22 33 46 o -1.314000      1.130000      ?             ?      
1 1 1 22 33 47 o -0.4292000     1.351000      ?             ?      
1 1 1 22 33 48 o 1.196000       1.360000      ?             ?      
1 1 1 22 33 49 o 0.3364000      1.146000      ?             ?      
1 1 1 22 33 50 o -0.6853000     1.125000      ?             ?      
1 1 1 22 33 51 o 2.465000       1.379000      ?             ?      
1 1 1 22 33 52 o 0.4081000      1.509000      ?             ?      
1 1 1 22 33 53 o 1.279000       1.274000      ?             ?      
1 1 1 22 33 54 o -2.874000      1.257000      ?             ?      
1 1 1 22 33 55 o 0.8341000      1.184000      ?             ?      
1 1 1 22 33 56 o 1.283000       1.264000      ?             ?      
1 1 1 22 33 57 o -0.2170000     1.963000      ?             ?      
1 1 1 22 33 58 o -1.204000      1.583000      ?             ?      
1 1 1 22 33 59 o -0.9198000     1.488000      ?             ?      
1 1 1 22 33 60 o -0.5611000     1.790000      ?             ?      
1 1 1 22 34 0  o -0.1989000     1.547000      130.3139      -180.0 
1 1 1 22 34 1  o 0.3841000      1.037000      31.07970      -127.0 
1 1 1 22 34 2  o -0.5465000     0.9846000     40.77581      19.5   
1 1 1 22 34 3  o 0.8729000      0.8574000     89.73985      116.6  
1 1 1 22 34 4  o -0.5211000     0.8580000     130.2801      87.1   
1 1 1 22 34 5  o 0.4535000      0.8514000     163.6761      106.5  
1 1 1 22 34 6  o -0.3894000     0.8591000     35.24876      8.3    
1 1 1 22 34 7  o -0.3252000     1.050000      41.69637      -136.7 
1 1 1 22 34 8  o -0.2839000     1.052000      95.20652      5.4    
1 1 1 22 34 9  o 1.664000       1.079000      160.1171      -136.0 
1 1 1 22 34 10 o 2.865000       1.063000      192.0597      63.1   
1 1 1 22 34 11 o 0.2429000E-01  1.070000      57.41023      -12.4  
1 1 1 22 34 12 o 1.708000       1.083000      81.47372      66.6   
1 1 1 22 34 13 o 2.265000       1.125000      119.8416      134.7  
1 1 1 22 34 14 o -0.3777000     1.157000      106.5586      -62.9  
1 1 1 22 34 15 o -1.379000      1.164000      93.58233      161.7  
1 1 1 22 34 16 o -0.9944000     1.152000      175.4187      -175.4 
1 1 1 22 34 17 o 1.405000       1.168000      167.8286      87.8   
1 1 1 22 34 18 o -0.5777000     1.180000      75.48391      -138.9 
1 1 1 22 34 19 o -2.371000      1.197000      55.20606      -113.7 
1 1 1 22 34 20 o -1.301000      1.423000      86.94594      -170.0 
1 1 1 22 34 21 o -1.803000      1.338000      98.41503      -168.9 
1 1 1 22 34 22 o 0.6454000      1.214000      12.27426      -105.6 
1 1 1 22 34 23 o 2.790000       1.217000      174.2364      63.3   
1 1 1 22 34 24 o 1.207000       1.335000      132.2369      -130.7 
1 1 1 22 34 25 o -0.5030000     1.307000      83.81408      -96.4  
1 1 1 22 34 26 o 2.025000       1.171000      195.6616      17.6   
1 1 1 22 34 27 o 0.5422000E-01  1.144000      110.8277      134.7  
1 1 1 22 34 28 o 1.314000       1.144000      91.95304      45.0   
1 1 1 22 34 29 o 1.252000       1.177000      116.8450      74.8   
1 1 1 22 34 30 o 3.332000       1.197000      98.39822      107.4  
1 1 1 22 34 31 o 1.225000       1.272000      161.7618      163.4  
1 1 1 22 34 32 o -1.947000      1.038000      38.71357      174.8  
1 1 1 22 34 33 o -0.6788000     1.068000      114.5733      44.8   
1 1 1 22 34 34 o 0.3891000      1.185000      87.22826      147.5  
1 1 1 22 34 35 o 3.225000       1.214000      213.5394      113.1  
1 1 1 22 34 36 o -0.5775000     1.354000      36.49345      136.5  
1 1 1 22 34 37 o 0.2386000      1.402000      131.8771      139.7  
1 1 1 22 34 38 o 2.069000       1.273000      ?             ?      
1 1 1 22 34 39 o 1.885000       1.351000      ?             ?      
1 1 1 22 34 40 o -1.912000      1.093000      ?             ?      
1 1 1 22 34 41 o 0.1428000      1.180000      ?             ?      
1 1 1 22 34 42 o 2.769000       1.202000      ?             ?      
1 1 1 22 34 43 o -0.5847000     1.173000      ?             ?      
1 1 1 22 34 44 o 0.4291000      1.158000      ?             ?      
1 1 1 22 34 45 o 0.8851000      1.308000      ?             ?      
1 1 1 22 34 46 o -0.2402000     1.052000      ?             ?      
1 1 1 22 34 47 o 1.344000       1.043000      ?             ?      
1 1 1 22 34 48 o -0.7721000     1.054000      ?             ?      
1 1 1 22 34 49 f -1.082000      1.103000      ?             ?      
1 1 1 22 34 50 o -0.5321000     1.149000      ?             ?      
1 1 1 22 34 51 o 1.152000       1.177000      ?             ?      
1 1 1 22 34 52 o 0.3064000      1.405000      ?             ?      
1 1 1 22 34 53 o 0.8429000      1.431000      ?             ?      
1 1 1 22 34 54 o -1.522000      1.399000      ?             ?      
1 1 1 22 34 55 o -0.9896000     1.314000      ?             ?      
1 1 1 22 34 56 o 2.110000       1.340000      ?             ?      
1 1 1 22 34 57 o -0.5854000E-01 1.487000      ?             ?      
1 1 1 22 34 58 o 2.033000       1.411000      ?             ?      
1 1 1 22 34 59 o -1.745000      1.466000      ?             ?      
1 1 1 22 35 0  o -0.3543000     1.526000      11.12051      -0.0   
1 1 1 22 35 1  o 0.9495000      1.001000      171.7990      -46.2  
1 1 1 22 35 2  o 0.3594000E-01  1.006000      54.69235      -111.7 
1 1 1 22 35 3  o 0.6105000E-01  0.8729000     105.2140      59.2   
1 1 1 22 35 4  o 0.4054000      0.8883000     178.8530      1.5    
1 1 1 22 35 5  o -0.2437000     0.8670000     64.39016      5.4    
1 1 1 22 35 6  o 0.6898000      0.8787000     164.9207      38.5   
1 1 1 22 35 7  f 1.755000       0.9396000     286.3805      -20.3  
1 1 1 22 35 8  o 1.329000       1.069000      30.96388      5.0    
1 1 1 22 35 9  o 1.616000       1.082000      195.9399      165.1  
1 1 1 22 35 10 o 0.6926000      1.051000      169.9703      -1.9   
1 1 1 22 35 11 o 1.377000       1.082000      159.7013      140.0  
1 1 1 22 35 12 o 2.035000       1.101000      67.84758      -0.4   
1 1 1 22 35 13 o 0.9888000      1.133000      59.58195      147.1  
1 1 1 22 35 14 o 1.910000       1.188000      224.9291      73.0   
1 1 1 22 35 15 o 2.504000       1.183000      83.17516      -69.7  
1 1 1 22 35 16 o 1.838000       1.207000      155.2600      32.6   
1 1 1 22 35 17 o -1.586000      1.325000      74.97179      -104.6 
1 1 1 22 35 18 o 1.721000       1.233000      160.6488      -111.4 
1 1 1 22 35 19 o 0.4746000E-02  1.225000      66.25527      -148.4 
1 1 1 22 35 20 o -1.249000      1.450000      124.3203      -79.0  
1 1 1 22 35 21 o -0.5484000     1.501000      161.6019      -26.4  
1 1 1 22 35 22 o 0.1780000      1.244000      81.07401      117.7  
1 1 1 22 35 23 o -0.1690000     1.237000      51.57951      71.9   
1 1 1 22 35 24 o 0.1813000      1.432000      31.31964      11.0   
1 1 1 22 35 25 o 0.1896000      1.400000      66.90301      1.4    
1 1 1 22 35 26 o -0.3232000     1.210000      95.18289      13.2   
1 1 1 22 35 27 o 5.972000       1.247000      294.4031      90.9   
1 1 1 22 35 28 o 1.064000       1.197000      114.1246      150.8  
1 1 1 22 35 29 o 1.386000       1.218000      123.0018      -72.6  
1 1 1 22 35 30 o 0.5419000      1.235000      95.44627      -92.9  
1 1 1 22 35 31 o 0.3156000      1.231000      19.54435      134.3  
1 1 1 22 35 32 o 1.565000       1.333000      134.0372      -88.4  
1 1 1 22 35 33 o 2.713000       1.102000      215.6112      -123.5 
1 1 1 22 35 34 o 5.477000       1.372000      262.6593      -121.6 
1 1 1 22 35 35 o -1.522000      1.396000      34.32592      -121.0 
1 1 1 22 35 36 o -1.789000      1.260000      119.7410      -10.5  
1 1 1 22 35 37 o -2.527000      1.178000      ?             ?      
1 1 1 22 35 38 o 1.674000       1.390000      ?             ?      
1 1 1 22 35 39 o 1.401000       1.340000      ?             ?      
1 1 1 22 35 40 o 0.4056000      1.381000      ?             ?      
1 1 1 22 35 41 o 0.2802000      1.363000      ?             ?      
1 1 1 22 35 42 o -0.8232000     1.305000      ?             ?      
1 1 1 22 35 43 o -0.5075000     1.206000      ?             ?      
1 1 1 22 35 44 o 1.037000       1.103000      ?             ?      
1 1 1 22 35 45 o 0.9383000      1.087000      ?             ?      
1 1 1 22 35 46 o -0.8906000     1.030000      ?             ?      
1 1 1 22 35 47 o 0.4759000      1.073000      ?             ?      
1 1 1 22 35 48 o 0.9183000      1.085000      ?             ?      
1 1 1 22 35 49 o -0.4612000     1.083000      ?             ?      
1 1 1 22 35 50 o 0.7179000      1.109000      ?             ?      
1 1 1 22 35 51 o 1.685000       1.126000      ?             ?      
1 1 1 22 35 52 o 0.6787000      1.303000      ?             ?      
1 1 1 22 35 53 o -0.4177000     1.414000      ?             ?      
1 1 1 22 35 54 o -0.3222000     1.310000      ?             ?      
1 1 1 22 35 55 o -0.9850000E-01 1.377000      ?             ?      
1 1 1 22 35 56 o -0.6431000     1.449000      ?             ?      
1 1 1 22 35 57 o 0.1490000      1.337000      ?             ?      
1 1 1 22 35 58 o 0.6881000      1.300000      ?             ?      
1 1 1 22 36 0  o -2.522000      1.558000      178.2196      -180.0 
1 1 1 22 36 1  o 0.3111000      1.023000      12.12783      151.8  
1 1 1 22 36 2  o 1.059000       1.046000      234.5286      115.2  
1 1 1 22 36 3  o 0.9735000      0.8802000     116.0937      90.8   
1 1 1 22 36 4  o 2.847000       0.9005000     169.0012      88.7   
1 1 1 22 36 5  o 0.8222000      0.8848000     132.0552      91.9   
1 1 1 22 36 6  o 1.357000       0.9008000     232.1704      124.1  
1 1 1 22 36 7  o 1.139000       0.9294000     154.1686      143.7  
1 1 1 22 36 8  o -1.263000      1.051000      159.4422      8.4    
1 1 1 22 36 9  o -0.2900000     1.051000      111.8858      145.6  
1 1 1 22 36 10 o 2.134000       1.056000      214.2837      6.0    
1 1 1 22 36 11 o -0.1633000     1.080000      59.13386      -80.8  
1 1 1 22 36 12 o 2.445000       1.129000      201.7929      -151.6 
1 1 1 22 36 13 o -0.8924000     1.129000      150.3308      69.3   
1 1 1 22 36 14 o -0.9656000     1.159000      39.06049      -109.9 
1 1 1 22 36 15 o 2.905000       1.224000      277.9459      148.8  
1 1 1 22 36 16 o 0.9746000      1.226000      114.5565      20.7   
1 1 1 22 36 17 o -0.8308000     1.381000      66.74018      -139.2 
1 1 1 22 36 18 o 5.497000       1.484000      308.4065      -104.8 
1 1 1 22 36 19 o -0.4414000     1.480000      97.22970      88.0   
1 1 1 22 36 20 o 2.543000       1.582000      143.9177      -100.2 
1 1 1 22 36 21 o -1.993000      1.383000      33.13766      -162.6 
1 1 1 22 36 22 o 0.8206000      1.332000      158.8155      90.7   
1 1 1 22 36 23 o -0.5410000     1.563000      81.87006      -135.2 
1 1 1 22 36 24 o 3.953000       1.595000      258.1271      -113.6 
1 1 1 22 36 25 o 1.731000       1.307000      117.8078      154.0  
1 1 1 22 36 26 o 4.649000       1.282000      182.5004      154.7  
1 1 1 22 36 27 o 1.598000       1.258000      171.9046      176.4  
1 1 1 22 36 28 o 0.6276000      1.230000      165.7451      -52.6  
1 1 1 22 36 29 o 2.187000       1.253000      171.9646      29.3   
1 1 1 22 36 30 o 0.7306000      1.265000      94.48941      177.8  
1 1 1 22 36 31 o 2.162000       1.289000      144.5327      59.9   
1 1 1 22 36 32 o -0.6560000     1.272000      88.17078      4.2    
1 1 1 22 36 33 o 0.5092000      1.401000      129.4401      -44.8  
1 1 1 22 36 34 f -0.6991000E-01 1.313000      76.50114      166.3  
1 1 1 22 36 35 o -1.184000      1.076000      139.2961      98.7   
1 1 1 22 36 36 o 2.628000       1.159000      ?             ?      
1 1 1 22 36 37 o 2.929000       1.141000      ?             ?      
1 1 1 22 36 38 o 0.1972000      1.314000      ?             ?      
1 1 1 22 36 39 o 0.6706000      1.453000      ?             ?      
1 1 1 22 36 40 o -0.3256000     1.843000      ?             ?      
1 1 1 22 36 41 f 1.985000       2.223000      ?             ?      
1 1 1 22 36 42 o -0.3125000     1.026000      ?             ?      
1 1 1 22 36 43 o 0.6961000      1.019000      ?             ?      
1 1 1 22 36 44 o 0.4805000      1.026000      ?             ?      
1 1 1 22 36 45 o 1.419000       1.028000      ?             ?      
1 1 1 22 36 46 o 0.4301000      1.037000      ?             ?      
1 1 1 22 36 47 o 0.6834000      1.093000      ?             ?      
1 1 1 22 36 48 o 0.1868000      1.093000      ?             ?      
1 1 1 22 36 49 o 1.249000       1.045000      ?             ?      
1 1 1 22 36 50 o 1.310000       1.059000      ?             ?      
1 1 1 22 36 51 o 1.268000       1.118000      ?             ?      
1 1 1 22 36 52 o 0.2726000      1.183000      ?             ?      
1 1 1 22 36 53 o -0.3741000     1.342000      ?             ?      
1 1 1 22 36 54 o 2.728000       1.527000      ?             ?      
1 1 1 22 36 55 o -1.385000      1.662000      ?             ?      
1 1 1 22 36 56 o 1.787000       1.482000      ?             ?      
1 1 1 22 36 57 o -0.1150000     1.243000      ?             ?      
1 1 1 22 37 0  o -0.8716000     1.630000      120.2400      180.0  
1 1 1 22 37 1  o 0.9064000      1.071000      206.8454      -94.3  
1 1 1 22 37 2  o 5.712000       1.028000      353.3231      -141.6 
1 1 1 22 37 3  o 1.289000       0.8752000     99.36492      15.9   
1 1 1 22 37 4  o 1.813000       0.8640000     53.10797      17.3   
1 1 1 22 37 5  o 0.1220000E-01  0.8591000     69.64596      -145.6 
1 1 1 22 37 6  o 0.8334000      0.8873000     266.1782      -61.7  
1 1 1 22 37 7  o 1.228000       0.9183000     174.7620      -107.9 
1 1 1 22 37 8  o 6.040000       1.083000      419.5984      112.0  
1 1 1 22 37 9  o -0.4120000     1.038000      117.9403      163.2  
1 1 1 22 37 10 o -0.3212000     1.064000      138.4353      -27.1  
1 1 1 22 37 11 o 2.416000       1.124000      296.2936      176.3  
1 1 1 22 37 12 o -2.086000      1.096000      120.9428      -117.8 
1 1 1 22 37 13 o 1.266000       1.158000      135.6616      20.2   
1 1 1 22 37 14 o 2.729000       1.174000      216.6816      -101.4 
1 1 1 22 37 15 o -0.4563000     1.197000      139.2326      -10.6  
1 1 1 22 37 16 o 12.86000       1.384000      409.1365      -1.7   
1 1 1 22 37 17 o 1.486000       1.497000      137.7312      -96.2  
1 1 1 22 37 18 o 0.8146000      1.556000      106.4494      -63.6  
1 1 1 22 37 19 o 9.392000       2.028000      333.0378      5.5    
1 1 1 22 37 20 o -0.2309000     1.618000      121.3204      -129.2 
1 1 1 22 37 21 o 0.6076000      1.442000      124.4972      -6.1   
1 1 1 22 37 22 o 2.103000       1.415000      78.88367      94.4   
1 1 1 22 37 23 o 4.661000       1.725000      316.0875      44.1   
1 1 1 22 37 24 o 20.42000       1.799000      520.1426      -45.2  
1 1 1 22 37 25 o 1.614000       1.328000      178.6631      134.5  
1 1 1 22 37 26 o 1.470000       1.309000      216.0831      96.5   
1 1 1 22 37 27 o 0.7139000      1.292000      214.2651      83.7   
1 1 1 22 37 28 o -1.052000      1.278000      29.54871      -80.4  
1 1 1 22 37 29 o 0.7383000      1.276000      74.50063      -102.4 
1 1 1 22 37 30 o -0.3791000E-01 1.296000      139.7594      -98.9  
1 1 1 22 37 31 o -0.5215000     1.327000      115.5436      95.7   
1 1 1 22 37 32 o -0.3963000     1.367000      65.97125      67.1   
1 1 1 22 37 33 o 0.1660000      1.289000      118.7600      -125.6 
1 1 1 22 37 34 o 1.613000       1.294000      ?             ?      
1 1 1 22 37 35 o 0.8286000      1.066000      ?             ?      
1 1 1 22 37 36 o -0.6206000     1.035000      ?             ?      
1 1 1 22 37 37 o 1.596000       1.277000      ?             ?      
1 1 1 22 37 38 o 1.046000       1.241000      ?             ?      
1 1 1 22 37 39 o -5.697000      2.457000      ?             ?      
1 1 1 22 37 40 o 1.552000       1.398000      ?             ?      
1 1 1 22 37 41 o 0.5430000      1.300000      ?             ?      
1 1 1 22 37 42 o 0.9464000      1.202000      ?             ?      
1 1 1 22 37 43 o -1.351000      1.013000      ?             ?      
1 1 1 22 37 44 o 0.4033000      1.008000      ?             ?      
1 1 1 22 37 45 o -0.2226000     1.019000      ?             ?      
1 1 1 22 37 46 o 1.142000       1.024000      ?             ?      
1 1 1 22 37 47 o 0.9173000      1.023000      ?             ?      
1 1 1 22 37 48 o 0.7105000      1.029000      ?             ?      
1 1 1 22 37 49 o 0.2021000      1.031000      ?             ?      
1 1 1 22 37 50 o -1.725000      1.267000      ?             ?      
1 1 1 22 37 51 o 0.7513000      1.132000      ?             ?      
1 1 1 22 37 52 o 0.6446000      1.074000      ?             ?      
1 1 1 22 37 53 o 1.462000       1.321000      ?             ?      
1 1 1 22 37 54 o -0.8957000     1.539000      ?             ?      
1 1 1 22 37 55 o 3.191000       1.813000      ?             ?      
1 1 1 22 37 56 o 1.623000       1.708000      ?             ?      
1 1 1 22 38 0  o -0.9935000     1.356000      133.6315      -180.0 
1 1 1 22 38 1  o 1.342000       1.127000      312.9867      -5.4   
1 1 1 22 38 2  o 4.932000       1.053000      274.8841      25.2   
1 1 1 22 38 3  o 4.550000       1.042000      292.7542      -62.0  
1 1 1 22 38 4  o -0.5330000     0.8668000     48.00087      61.7   
1 1 1 22 38 5  o 3.318000       0.8966000     343.4672      12.1   
1 1 1 22 38 6  o 2.445000       0.9055000     290.8198      149.1  
1 1 1 22 38 7  o 1.638000       0.9169000     179.6060      40.5   
1 1 1 22 38 8  o 0.2046000      1.036000      57.28092      -83.6  
1 1 1 22 38 9  o 0.2039000      1.099000      97.96317      -62.3  
1 1 1 22 38 10 o 8.976000       1.380000      415.4734      -49.0  
1 1 1 22 38 11 o 0.9112000      1.116000      143.6921      -65.4  
1 1 1 22 38 12 o 5.853000       1.160000      296.7530      -30.2  
1 1 1 22 38 13 o 12.10000       1.263000      381.7911      55.1   
1 1 1 22 38 14 o 2.840000       1.214000      279.8667      89.3   
1 1 1 22 38 15 o -0.2341000     1.228000      99.10889      -21.7  
1 1 1 22 38 16 o 4.065000       1.341000      299.3294      97.1   
1 1 1 22 38 17 o 11.18000       1.609000      411.0734      101.2  
1 1 1 22 38 18 o 3.197000       1.973000      208.7563      -160.1 
1 1 1 22 38 19 o -0.1160000     2.057000      196.6641      41.2   
1 1 1 22 38 20 o 5.500000       1.685000      200.7267      67.3   
1 1 1 22 38 21 o 0.2724000      1.480000      92.26002      160.1  
1 1 1 22 38 22 o 23.90000       2.209000      520.4672      95.5   
1 1 1 22 38 23 o 4.697000       1.710000      274.5077      -29.8  
1 1 1 22 38 24 o 6.932000       1.428000      304.0802      -127.0 
1 1 1 22 38 25 o 1.786000       1.371000      181.8998      64.3   
1 1 1 22 38 26 o 2.445000       1.330000      219.0182      -148.3 
1 1 1 22 38 27 o 2.603000       1.348000      132.6606      -47.0  
1 1 1 22 38 28 o -0.3469000     1.321000      73.41411      -56.3  
1 1 1 22 38 29 o 2.767000       1.405000      194.1080      136.2  
1 1 1 22 38 30 o 2.180000       1.350000      243.2875      -114.9 
1 1 1 22 38 31 o -2.103000      1.302000      26.13235      -53.4  
1 1 1 22 38 32 o 0.9520000      1.301000      160.8706      -147.9 
1 1 1 22 38 33 o -0.7908000     1.349000      ?             ?      
1 1 1 22 38 34 o 3.904000       1.421000      ?             ?      
1 1 1 22 38 35 o 2.672000       1.350000      ?             ?      
1 1 1 22 38 36 o 1.979000       1.733000      ?             ?      
1 1 1 22 38 37 o 1.590000       1.031000      ?             ?      
1 1 1 22 38 38 o 1.682000       1.139000      ?             ?      
1 1 1 22 38 39 o -0.5450000     1.284000      ?             ?      
1 1 1 22 38 40 o -0.8663000     1.409000      ?             ?      
1 1 1 22 38 41 o -0.1208000     1.300000      ?             ?      
1 1 1 22 38 42 o -1.507000      1.201000      ?             ?      
1 1 1 22 38 43 o 2.838000       1.076000      ?             ?      
1 1 1 22 38 44 o 3.218000       1.020000      ?             ?      
1 1 1 22 38 45 o -0.1028000     0.9881000     ?             ?      
1 1 1 22 38 46 o 1.874000       1.021000      ?             ?      
1 1 1 22 38 47 o 1.011000       1.022000      ?             ?      
1 1 1 22 38 48 o 0.9678000      1.034000      ?             ?      
1 1 1 22 38 49 o -2.143000      1.036000      ?             ?      
1 1 1 22 38 50 o 1.427000       1.049000      ?             ?      
1 1 1 22 38 51 o -0.4743000     1.049000      ?             ?      
1 1 1 22 38 52 o 0.1599000      1.063000      ?             ?      
1 1 1 22 38 53 o -0.7893000E-01 1.190000      ?             ?      
1 1 1 22 38 54 o -1.053000      1.497000      ?             ?      
1 1 1 22 38 55 o 1.965000       1.951000      ?             ?      
1 1 1 22 38 56 o 4.859000       1.607000      ?             ?      
1 1 1 22 39 0  o 7.447000       1.442000      137.7137      180.0  
1 1 1 22 39 1  o 4.902000       1.180000      335.3512      61.6   
1 1 1 22 39 2  o 4.680000       1.164000      264.3800      33.2   
1 1 1 22 39 3  o 4.655000       1.065000      323.3128      77.8   
1 1 1 22 39 4  o 6.783000       0.9383000     318.4799      107.5  
1 1 1 22 39 5  o 4.180000       0.9065000     184.3310      -100.0 
1 1 1 22 39 6  o 4.260000       0.9135000     219.0337      162.2  
1 1 1 22 39 7  o 1.747000       0.9166000     188.9535      134.1  
1 1 1 22 39 8  o -0.3427000     1.068000      200.1216      81.6   
1 1 1 22 39 9  o 2.703000       1.110000      211.6087      -7.0   
1 1 1 22 39 10 o 0.3737000      1.106000      165.6876      107.8  
1 1 1 22 39 11 o 2.943000       1.137000      258.0514      92.8   
1 1 1 22 39 12 o 1.563000       1.162000      187.7480      -174.2 
1 1 1 22 39 13 o 1.130000       1.150000      51.85011      101.5  
1 1 1 22 39 14 o 1.107000       1.177000      158.5717      -159.4 
1 1 1 22 39 15 o -2.472000      1.333000      21.88114      -25.2  
1 1 1 22 39 16 o 10.89000       1.408000      537.0630      -55.4  
1 1 1 22 39 17 o 8.971000       2.117000      396.4443      -128.6 
1 1 1 22 39 18 o 2.599000       2.093000      126.2891      164.6  
1 1 1 22 39 19 o 3.697000       1.742000      232.9432      -29.1  
1 1 1 22 39 20 o 0.7495000      1.665000      102.5424      160.4  
1 1 1 22 39 21 o 6.932000       1.755000      254.7716      161.2  
1 1 1 22 39 22 o 7.946000       1.819000      374.7275      71.3   
1 1 1 22 39 23 o 2.172000       1.673000      248.2267      94.2   
1 1 1 22 39 24 o -0.2357000     1.380000      275.2346      -63.9  
1 1 1 22 39 25 o 0.7404000      1.364000      156.2897      126.1  
1 1 1 22 39 26 o -0.9189000     1.386000      95.68628      143.6  
1 1 1 22 39 27 o 0.1906000      1.424000      99.79089      17.3   
1 1 1 22 39 28 o -0.2603000     1.372000      109.4143      -81.6  
1 1 1 22 39 29 o 5.758000       1.388000      321.0493      -60.3  
1 1 1 22 39 30 o -0.4577000     1.310000      234.6972      -34.7  
1 1 1 22 39 31 o 2.876000       1.339000      ?             ?      
1 1 1 22 39 32 o 1.012000       1.320000      ?             ?      
1 1 1 22 39 33 o 1.519000       1.657000      ?             ?      
1 1 1 22 39 34 o 1.415000       1.656000      ?             ?      
1 1 1 22 39 35 o 1.184000       1.264000      ?             ?      
1 1 1 22 39 36 o 1.831000       1.238000      ?             ?      
1 1 1 22 39 37 o 2.156000       1.421000      ?             ?      
1 1 1 22 39 38 o 0.7503000      1.032000      ?             ?      
1 1 1 22 39 39 o 0.3600000      1.267000      ?             ?      
1 1 1 22 39 40 o 2.060000       1.085000      ?             ?      
1 1 1 22 39 41 o 3.886000       1.274000      ?             ?      
1 1 1 22 39 42 o 1.013000       1.203000      ?             ?      
1 1 1 22 39 43 o 1.471000       1.227000      ?             ?      
1 1 1 22 39 44 o 0.3104000      1.062000      ?             ?      
1 1 1 22 39 45 o -0.4359000     0.9930000     ?             ?      
1 1 1 22 39 46 o 1.529000       1.006000      ?             ?      
1 1 1 22 39 47 o 1.506000       1.009000      ?             ?      
1 1 1 22 39 48 o -0.4961000     1.028000      ?             ?      
1 1 1 22 39 49 o 0.2024000      1.049000      ?             ?      
1 1 1 22 39 50 o 0.8201000      1.050000      ?             ?      
1 1 1 22 39 51 o 1.616000       1.069000      ?             ?      
1 1 1 22 39 52 o -0.6649000     1.061000      ?             ?      
1 1 1 22 39 53 o 0.2394000      1.106000      ?             ?      
1 1 1 22 39 54 o 0.9491000      1.430000      ?             ?      
1 1 1 22 39 55 o -0.3187000     1.535000      ?             ?      
1 1 1 22 40 0  o -0.4699000     1.340000      62.11430      -180.0 
1 1 1 22 40 1  o 3.399000       1.108000      299.8535      58.4   
1 1 1 22 40 2  o 7.365000       1.125000      370.3058      -178.2 
1 1 1 22 40 3  o 7.128000       1.115000      349.3669      -95.4  
1 1 1 22 40 4  o 0.6610000      0.9111000     57.17884      -5.6   
1 1 1 22 40 5  o 0.5625000      0.8840000     117.8321      33.6   
1 1 1 22 40 6  o 0.9779000      0.8863000     179.6772      73.1   
1 1 1 22 40 7  o 1.096000       0.8906000     120.0538      -94.6  
1 1 1 22 40 8  o 5.018000       1.101000      338.4352      -176.7 
1 1 1 22 40 9  o 0.8760000      1.120000      216.8093      -24.2  
1 1 1 22 40 10 o 1.921000       1.124000      183.0676      -44.4  
1 1 1 22 40 11 o 3.786000       1.160000      296.8528      -65.1  
1 1 1 22 40 12 o 3.392000       1.205000      197.8648      86.5   
1 1 1 22 40 13 o -0.5496000     1.196000      151.8786      23.1   
1 1 1 22 40 14 o 0.1935000      1.214000      145.1995      24.3   
1 1 1 22 40 15 o -1.646000      1.294000      131.5986      11.7   
1 1 1 22 40 16 o 4.481000       1.378000      370.1509      92.5   
1 1 1 22 40 17 f 4.278000       2.100000      338.9676      37.1   
1 1 1 22 40 18 o 1.259000       2.195000      180.3621      -132.4 
1 1 1 22 40 19 o -0.5349000     1.712000      212.6494      98.9   
1 1 1 22 40 20 o -0.6979000     1.686000      116.3331      120.1  
1 1 1 22 40 21 f 1.794000       1.758000      143.0368      155.8  
1 1 1 22 40 22 o 2.406000       2.342000      300.2166      126.0  
1 1 1 22 40 23 o -0.5732000     1.442000      123.8593      63.9   
1 1 1 22 40 24 o 0.2493000      1.515000      136.8737      -163.5 
1 1 1 22 40 25 o 0.6775000      1.530000      162.7473      -9.3   
1 1 1 22 40 26 o 0.6584000      1.400000      93.78142      11.0   
1 1 1 22 40 27 o 1.512000       1.387000      281.7689      -10.0  
1 1 1 22 40 28 o 2.568000       1.419000      204.0744      -173.3 
1 1 1 22 40 29 o 2.658000       1.451000      ?             ?      
1 1 1 22 40 30 o -0.3950000     1.667000      ?             ?      
1 1 1 22 40 31 o -0.5337000E-01 1.635000      ?             ?      
1 1 1 22 40 32 o -1.142000      1.270000      ?             ?      
1 1 1 22 40 33 o 2.270000       1.271000      ?             ?      
1 1 1 22 40 34 o 1.368000       1.253000      ?             ?      
1 1 1 22 40 35 o 3.085000       1.266000      ?             ?      
1 1 1 22 40 36 o 0.8173000      1.403000      ?             ?      
1 1 1 22 40 37 o 1.919000       1.382000      ?             ?      
1 1 1 22 40 38 o 2.131000       1.233000      ?             ?      
1 1 1 22 40 39 o 1.128000       1.046000      ?             ?      
1 1 1 22 40 40 o -0.8339000     1.044000      ?             ?      
1 1 1 22 40 41 o -0.7389000     1.035000      ?             ?      
1 1 1 22 40 42 o -1.211000      1.232000      ?             ?      
1 1 1 22 40 43 o 2.140000       1.231000      ?             ?      
1 1 1 22 40 44 o -2.999000      1.198000      ?             ?      
1 1 1 22 40 45 o 0.7115000E-01  1.044000      ?             ?      
1 1 1 22 40 46 o 0.9858000      1.008000      ?             ?      
1 1 1 22 40 47 o 2.537000       1.020000      ?             ?      
1 1 1 22 40 48 o 3.141000       1.037000      ?             ?      
1 1 1 22 40 49 o 1.230000       1.036000      ?             ?      
1 1 1 22 40 50 o 3.381000       1.068000      ?             ?      
1 1 1 22 40 51 o 0.5891000      1.070000      ?             ?      
1 1 1 22 40 52 o 0.4372000      1.100000      ?             ?      
1 1 1 22 40 53 o 2.330000       1.259000      ?             ?      
1 1 1 22 40 54 o -0.1547000     1.482000      ?             ?      
1 1 1 22 41 0  o 2.299000       1.398000      284.9227      0.0    
1 1 1 22 41 1  o 1.547000       0.9795000     274.2216      34.0   
1 1 1 22 41 2  o -2.453000      1.147000      155.0717      -134.7 
1 1 1 22 41 3  o 7.268000       1.135000      429.3831      145.2  
1 1 1 22 41 4  o 2.776000       0.9475000     261.9418      80.9   
1 1 1 22 41 5  o 2.487000       0.9106000     91.21848      167.1  
1 1 1 22 41 6  o 8.069000       0.9566000     363.8464      85.2   
1 1 1 22 41 7  o 0.6987000      0.9171000     38.93887      20.2   
1 1 1 22 41 8  o -0.5768000     1.194000      143.7798      -36.7  
1 1 1 22 41 9  o 0.9662000      1.164000      142.7215      5.2    
1 1 1 22 41 10 o 1.819000       1.168000      115.6852      133.8  
1 1 1 22 41 11 o -0.6745000E-01 1.188000      137.5635      -35.0  
1 1 1 22 41 12 o -0.1184000     1.243000      81.29725      -178.5 
1 1 1 22 41 13 o 2.916000       1.245000      167.9727      101.2  
1 1 1 22 41 14 o 4.525000       1.285000      262.3500      88.4   
1 1 1 22 41 15 o 3.176000       1.318000      265.5404      -158.9 
1 1 1 22 41 16 o -0.2049000     1.596000      143.2736      -14.2  
1 1 1 22 41 17 o 7.473000       2.222000      416.8556      -114.2 
1 1 1 22 41 18 o -0.6165000     1.704000      57.50386      -127.3 
1 1 1 22 41 19 o 2.570000       1.679000      205.8475      -64.9  
1 1 1 22 41 20 o 11.77000       1.806000      379.6772      -165.5 
1 1 1 22 41 21 o 7.367000       2.820000      406.2708      -172.5 
1 1 1 22 41 22 o 5.129000       2.506000      169.1584      135.9  
1 1 1 22 41 23 o 3.292000       1.763000      246.3294      -47.0  
1 1 1 22 41 24 o 1.256000       1.431000      6.282427      -78.8  
1 1 1 22 41 25 o 4.326000       1.419000      257.9999      161.6  
1 1 1 22 41 26 o -2.393000      1.642000      44.65910      88.4   
1 1 1 22 41 27 o 0.8217000      1.393000      ?             ?      
1 1 1 22 41 28 o -0.9130000E-01 1.647000      ?             ?      
1 1 1 22 41 29 o 5.110000       1.409000      ?             ?      
1 1 1 22 41 30 o 0.2301000      1.302000      ?             ?      
1 1 1 22 41 31 o -1.737000      1.278000      ?             ?      
1 1 1 22 41 32 o 0.8786000      1.262000      ?             ?      
1 1 1 22 41 33 o -1.237000      1.249000      ?             ?      
1 1 1 22 41 34 o 5.603000       1.297000      ?             ?      
1 1 1 22 41 35 o 0.2012000E-01  1.246000      ?             ?      
1 1 1 22 41 36 o 2.605000       1.387000      ?             ?      
1 1 1 22 41 37 o -0.6159000     1.210000      ?             ?      
1 1 1 22 41 38 o -2.863000      1.174000      ?             ?      
1 1 1 22 41 39 o 0.3086000      1.284000      ?             ?      
1 1 1 22 41 40 o -0.2129000     1.200000      ?             ?      
1 1 1 22 41 41 o -0.9189000E-01 1.010000      ?             ?      
1 1 1 22 41 42 o -0.6114000     1.037000      ?             ?      
1 1 1 22 41 43 o 0.1852000      1.262000      ?             ?      
1 1 1 22 41 44 o -0.4809000     1.336000      ?             ?      
1 1 1 22 41 45 o -0.9769000     1.211000      ?             ?      
1 1 1 22 41 46 o 0.4259000      1.066000      ?             ?      
1 1 1 22 41 47 o -0.2938000     1.006000      ?             ?      
1 1 1 22 41 48 o 0.4181000      1.031000      ?             ?      
1 1 1 22 41 49 o 0.1084000      1.416000      ?             ?      
1 1 1 22 41 50 o 2.443000       1.050000      ?             ?      
1 1 1 22 41 51 o -0.7025000     1.091000      ?             ?      
1 1 1 22 41 52 o 0.7972000      1.109000      ?             ?      
1 1 1 22 41 53 o -1.025000      1.480000      ?             ?      
1 1 1 22 42 0  o 2.968000       1.433000      178.3259      -0.0   
1 1 1 22 42 1  o 9.250000       1.211000      451.6226      170.0  
1 1 1 22 42 2  o 1.676000       1.167000      300.7380      -81.4  
1 1 1 22 42 3  o -1.991000      1.092000      140.8274      165.4  
1 1 1 22 42 4  o 1.121000       1.066000      137.4419      159.8  
1 1 1 22 42 5  o 1.102000       0.9148000     153.1899      -160.2 
1 1 1 22 42 6  o 0.9561000      0.9313000     182.3847      32.4   
1 1 1 22 42 7  o 2.545000       0.9702000     273.0664      134.7  
1 1 1 22 42 8  o 6.456000       1.297000      289.7719      -175.4 
1 1 1 22 42 9  o 3.370000       1.256000      318.2208      15.1   
1 1 1 22 42 10 o 1.374000       1.230000      200.1020      7.0    
1 1 1 22 42 11 o 5.273000       1.271000      346.7081      -62.0  
1 1 1 22 42 12 o 8.593000       1.344000      415.6203      105.8  
1 1 1 22 42 13 o 1.403000       1.282000      166.6944      -113.3 
1 1 1 22 42 14 o 3.470000       1.546000      225.9050      -137.4 
1 1 1 22 42 15 o 1.701000       2.062000      194.3520      40.5   
1 1 1 22 42 16 o 6.015000       1.640000      329.9923      15.9   
1 1 1 22 42 17 o 3.758000       2.148000      140.1230      -10.6  
1 1 1 22 42 18 o 2.003000       1.685000      186.0729      -56.8  
1 1 1 22 42 19 o 1.144000       2.212000      228.1069      -52.9  
1 1 1 22 42 20 o -0.1017000     1.774000      276.2887      -69.9  
1 1 1 22 42 21 o 0.4312000      2.296000      195.2969      176.8  
1 1 1 22 42 22 o -1.857000      2.250000      142.2216      77.3   
1 1 1 22 42 23 o 2.608000       1.700000      73.76345      127.3  
1 1 1 22 42 24 o -0.7786000     1.690000      98.02637      67.9   
1 1 1 22 42 25 o -0.1459000     1.696000      ?             ?      
1 1 1 22 42 26 o 0.5380000      1.635000      ?             ?      
1 1 1 22 42 27 o 0.4196000      1.359000      ?             ?      
1 1 1 22 42 28 o 2.483000       1.338000      ?             ?      
1 1 1 22 42 29 o 0.8507000      1.312000      ?             ?      
1 1 1 22 42 30 o 0.7285000      1.285000      ?             ?      
1 1 1 22 42 31 o -0.6126000     1.272000      ?             ?      
1 1 1 22 42 32 o 3.349000       1.316000      ?             ?      
1 1 1 22 42 33 o 4.401000       1.292000      ?             ?      
1 1 1 22 42 34 o -2.351000      1.207000      ?             ?      
1 1 1 22 42 35 o 0.8322000      1.331000      ?             ?      
1 1 1 22 42 36 o -2.219000      1.310000      ?             ?      
1 1 1 22 42 37 o 3.396000       1.210000      ?             ?      
1 1 1 22 42 38 o 1.389000       1.340000      ?             ?      
1 1 1 22 42 39 o -1.173000      1.307000      ?             ?      
1 1 1 22 42 40 o -0.5102000     1.154000      ?             ?      
1 1 1 22 42 41 o -0.3625000     1.218000      ?             ?      
1 1 1 22 42 42 o -0.1402000     1.022000      ?             ?      
1 1 1 22 42 43 o 2.743000       1.061000      ?             ?      
1 1 1 22 42 44 o 0.8868000      1.306000      ?             ?      
1 1 1 22 42 45 o 1.607000       1.372000      ?             ?      
1 1 1 22 42 46 o -1.031000      1.235000      ?             ?      
1 1 1 22 42 47 o 1.188000       1.086000      ?             ?      
1 1 1 22 42 48 o 1.152000       1.026000      ?             ?      
1 1 1 22 42 49 o 0.1337000      1.033000      ?             ?      
1 1 1 22 42 50 o 0.8220000      1.050000      ?             ?      
1 1 1 22 42 51 o 0.6611000      1.093000      ?             ?      
1 1 1 22 42 52 o 2.916000       1.489000      ?             ?      
1 1 1 22 43 0  o 0.9350000      1.284000      115.6098      -0.0   
1 1 1 22 43 1  o -0.7770000     0.9541000     234.9536      -165.8 
1 1 1 22 43 2  o 4.909000       1.140000      325.3726      -140.5 
1 1 1 22 43 3  f 16.04000       1.312000      593.6491      86.4   
1 1 1 22 43 4  o 3.923000       1.054000      301.4802      -65.6  
1 1 1 22 43 5  o 2.857000       0.9466000     274.9035      -152.9 
1 1 1 22 43 6  o 1.568000       0.9506000     184.4715      -40.3  
1 1 1 22 43 7  o 0.2494000      0.9694000     88.82738      102.0  
1 1 1 22 43 8  o 4.041000       1.301000      233.8279      -178.3 
1 1 1 22 43 9  o 3.273000       1.273000      362.4105      -66.1  
1 1 1 22 43 10 o 4.504000       1.301000      336.3345      82.8   
1 1 1 22 43 11 o 1.309000       1.292000      201.6872      -2.1   
1 1 1 22 43 12 o 0.5855000      1.536000      253.8767      -35.2  
1 1 1 22 43 13 o 4.170000       1.322000      331.2554      113.8  
1 1 1 22 43 14 o 1.240000       1.299000      297.8376      72.8   
1 1 1 22 43 15 o 2.308000       1.564000      256.1453      -1.7   
1 1 1 22 43 16 o 2.339000       1.643000      193.2310      44.9   
1 1 1 22 43 17 o 0.2510000      1.840000      121.1292      -159.8 
1 1 1 22 43 18 o 6.338000       1.656000      298.7578      23.4   
1 1 1 22 43 19 o 2.958000       1.671000      141.3707      10.2   
1 1 1 22 43 20 o -3.550000      2.242000      170.8102      172.7  
1 1 1 22 43 21 o 5.719000       2.270000      231.8985      -85.9  
1 1 1 22 43 22 o 4.691000       1.707000      323.1194      -70.1  
1 1 1 22 43 23 o -1.680000      1.689000      ?             ?      
1 1 1 22 43 24 o 2.836000       1.671000      ?             ?      
1 1 1 22 43 25 o 2.152000       1.666000      ?             ?      
1 1 1 22 43 26 o -2.671000      1.693000      ?             ?      
1 1 1 22 43 27 o 0.3905000      1.328000      ?             ?      
1 1 1 22 43 28 o 1.943000       1.351000      ?             ?      
1 1 1 22 43 29 o 1.651000       1.316000      ?             ?      
1 1 1 22 43 30 o 0.2813000      1.292000      ?             ?      
1 1 1 22 43 31 o 2.780000       1.287000      ?             ?      
1 1 1 22 43 32 o 2.498000       1.281000      ?             ?      
1 1 1 22 43 33 o -2.431000      1.229000      ?             ?      
1 1 1 22 43 34 o 1.276000       1.380000      ?             ?      
1 1 1 22 43 35 o -0.3058000     1.344000      ?             ?      
1 1 1 22 43 36 o -0.9146000     1.190000      ?             ?      
1 1 1 22 43 37 o 0.6150000      1.185000      ?             ?      
1 1 1 22 43 38 o 2.049000       1.355000      ?             ?      
1 1 1 22 43 39 o 0.3798000      1.194000      ?             ?      
1 1 1 22 43 40 o 0.2682000      1.181000      ?             ?      
1 1 1 22 43 41 o -0.7424000     1.164000      ?             ?      
1 1 1 22 43 42 f -0.3578000     1.164000      ?             ?      
1 1 1 22 43 43 o -0.5935000     1.309000      ?             ?      
1 1 1 22 43 44 o 0.4634000      1.055000      ?             ?      
1 1 1 22 43 45 o 0.3759000      1.303000      ?             ?      
1 1 1 22 43 46 o -0.1428000     1.392000      ?             ?      
1 1 1 22 43 47 o 1.186000       1.264000      ?             ?      
1 1 1 22 43 48 o 1.297000       1.268000      ?             ?      
1 1 1 22 43 49 o 0.2336000      1.019000      ?             ?      
1 1 1 22 43 50 o 0.6474000      1.074000      ?             ?      
1 1 1 22 43 51 o -0.5218000     1.409000      ?             ?      
1 1 1 22 44 0  o 3.398000       1.291000      193.4890      -0.0   
1 1 1 22 44 1  o -0.9295000     0.9359000     26.80944      -129.8 
1 1 1 22 44 2  o -0.8113000     1.084000      126.4643      -39.8  
1 1 1 22 44 3  o 2.482000       1.077000      221.4223      147.8  
1 1 1 22 44 4  o 5.185000       1.095000      348.1341      -9.8   
1 1 1 22 44 5  o 6.205000       0.9949000     343.0557      18.9   
1 1 1 22 44 6  o 0.2447000E-01  0.9621000     45.02694      -150.2 
1 1 1 22 44 7  o 1.346000       0.9780000     133.3174      -99.3  
1 1 1 22 44 8  o 1.654000       1.306000      222.9700      -156.4 
1 1 1 22 44 9  o -0.7199000     1.497000      168.4981      68.0   
1 1 1 22 44 10 o 7.913000       1.566000      417.7869      42.2   
1 1 1 22 44 11 o 0.9211000E-01  1.272000      44.80963      -62.3  
1 1 1 22 44 12 o 2.601000       1.276000      297.4550      127.8  
1 1 1 22 44 13 o -1.089000      1.341000      115.2786      113.3  
1 1 1 22 44 14 o 0.7136000      1.559000      107.8369      130.5  
1 1 1 22 44 15 o 1.255000       1.557000      268.8804      65.5   
1 1 1 22 44 16 o 2.627000       1.346000      218.4750      74.0   
1 1 1 22 44 17 o 3.111000       1.624000      212.7004      -164.6 
1 1 1 22 44 18 o 3.061000       1.656000      210.9414      -96.1  
1 1 1 22 44 19 o -0.6133000     1.651000      110.6816      71.8   
1 1 1 22 44 20 o 4.135000       2.267000      ?             ?      
1 1 1 22 44 21 o 5.393000       2.331000      ?             ?      
1 1 1 22 44 22 o 5.174000       1.700000      ?             ?      
1 1 1 22 44 23 o 1.675000       1.640000      ?             ?      
1 1 1 22 44 24 o 0.1409000      1.642000      ?             ?      
1 1 1 22 44 25 o 2.658000       1.644000      ?             ?      
1 1 1 22 44 26 o -2.227000      1.624000      ?             ?      
1 1 1 22 44 27 o 2.215000       1.666000      ?             ?      
1 1 1 22 44 28 o -0.7236000     1.315000      ?             ?      
1 1 1 22 44 29 o 0.1343000      1.311000      ?             ?      
1 1 1 22 44 30 o -0.5977000     1.259000      ?             ?      
1 1 1 22 44 31 o -0.6642000     1.257000      ?             ?      
1 1 1 22 44 32 o 0.3751000E-01  1.241000      ?             ?      
1 1 1 22 44 33 o -1.573000      1.234000      ?             ?      
1 1 1 22 44 34 o 0.9315000E-01  1.416000      ?             ?      
1 1 1 22 44 35 o 3.573000       1.433000      ?             ?      
1 1 1 22 44 36 o 0.4348000      1.223000      ?             ?      
1 1 1 22 44 37 o 1.660000       1.370000      ?             ?      
1 1 1 22 44 38 o 0.5094000E-01  1.330000      ?             ?      
1 1 1 22 44 39 o -0.6765000     1.168000      ?             ?      
1 1 1 22 44 40 o 0.3740000      1.195000      ?             ?      
1 1 1 22 44 41 o -0.5511000     1.199000      ?             ?      
1 1 1 22 44 42 o -0.4298000     1.211000      ?             ?      
1 1 1 22 44 43 o -0.1451000     1.195000      ?             ?      
1 1 1 22 44 44 o 0.3189000      1.326000      ?             ?      
1 1 1 22 44 45 o 2.407000       1.083000      ?             ?      
1 1 1 22 44 46 o -1.786000      1.073000      ?             ?      
1 1 1 22 44 47 o -0.1411000     1.349000      ?             ?      
1 1 1 22 44 48 o -1.108000      1.276000      ?             ?      
1 1 1 22 44 49 o -0.6747000     1.285000      ?             ?      
1 1 1 22 44 50 o -2.195000      1.891000      ?             ?      
1 1 1 22 45 0  o 0.2908000      1.283000      1.716447      0.0    
1 1 1 22 45 1  o 0.8732000      0.9449000     130.0841      118.1  
1 1 1 22 45 2  o 1.105000       0.9761000     57.11451      105.9  
1 1 1 22 45 3  o 14.21000       1.236000      567.3086      97.3   
1 1 1 22 45 4  o 5.743000       1.096000      333.3024      -126.4 
1 1 1 22 45 5  o 2.493000       0.9562000     187.2063      91.9   
1 1 1 22 45 6  o 3.024000       0.9525000     290.1049      66.3   
1 1 1 22 45 7  o 0.9029000      1.033000      198.4062      15.0   
1 1 1 22 45 8  o -1.201000      1.271000      86.38057      -178.6 
1 1 1 22 45 9  o 1.005000       1.472000      202.8038      -168.9 
1 1 1 22 45 10 o 3.523000       1.361000      336.6190      75.6   
1 1 1 22 45 11 o 0.6612000      1.333000      105.9485      -46.4  
1 1 1 22 45 12 o 0.2725000      1.308000      32.75063      -179.3 
1 1 1 22 45 13 o 2.216000       1.281000      294.6888      100.8  
1 1 1 22 45 14 o 5.009000       1.518000      299.5465      -79.0  
1 1 1 22 45 15 o -1.757000      1.538000      129.1653      16.0   
1 1 1 22 45 16 o 1.920000       1.408000      103.6408      -122.5 
1 1 1 22 45 17 o -0.5415000     1.556000      ?             ?      
1 1 1 22 45 18 o -0.7812000     1.556000      ?             ?      
1 1 1 22 45 19 o -3.145000      2.079000      ?             ?      
1 1 1 22 45 20 o 2.499000       2.218000      ?             ?      
1 1 1 22 45 21 o 3.127000       1.641000      ?             ?      
1 1 1 22 45 22 f 0.1058000      1.608000      ?             ?      
1 1 1 22 45 23 o -0.2946000     1.593000      ?             ?      
1 1 1 22 45 24 o 1.373000       1.658000      ?             ?      
1 1 1 22 45 25 o -0.4129000     1.638000      ?             ?      
1 1 1 22 45 26 o 0.4984000      1.614000      ?             ?      
1 1 1 22 45 27 o 2.373000       1.656000      ?             ?      
1 1 1 22 45 28 o -0.4507000     1.618000      ?             ?      
1 1 1 22 45 29 o 0.9402000      1.326000      ?             ?      
1 1 1 22 45 30 o 2.229000       1.292000      ?             ?      
1 1 1 22 45 31 o 2.520000       1.278000      ?             ?      
1 1 1 22 45 32 o 1.339000       1.261000      ?             ?      
1 1 1 22 45 33 o 1.849000       1.451000      ?             ?      
1 1 1 22 45 34 o 1.653000       1.467000      ?             ?      
1 1 1 22 45 35 o 1.540000       1.275000      ?             ?      
1 1 1 22 45 36 o -0.4945000     1.258000      ?             ?      
1 1 1 22 45 37 o 0.2340000      1.395000      ?             ?      
1 1 1 22 45 38 o -0.5780000     1.196000      ?             ?      
1 1 1 22 45 39 o -0.3650000     1.187000      ?             ?      
1 1 1 22 45 40 o -0.5606000     1.198000      ?             ?      
1 1 1 22 45 41 o 0.3232000      1.216000      ?             ?      
1 1 1 22 45 42 o -1.708000      1.216000      ?             ?      
1 1 1 22 45 43 o -0.4932000     1.221000      ?             ?      
1 1 1 22 45 44 o -0.8724000     1.214000      ?             ?      
1 1 1 22 45 45 o 1.567000       1.251000      ?             ?      
1 1 1 22 45 46 o -1.069000      1.345000      ?             ?      
1 1 1 22 45 47 o 0.9573000      1.079000      ?             ?      
1 1 1 22 45 48 o -0.8656000     1.338000      ?             ?      
1 1 1 22 46 0  o -0.5154000     1.285000      161.2668      -0.0   
1 1 1 22 46 1  o 1.241000       0.9519000     154.6823      161.4  
1 1 1 22 46 2  o 1.740000       0.9748000     338.3812      -121.5 
1 1 1 22 46 3  o 0.6486000E-01  1.077000      100.5875      122.8  
1 1 1 22 46 4  o 1.555000       1.030000      186.2154      126.1  
1 1 1 22 46 5  o 0.3829000      1.001000      20.30430      -30.8  
1 1 1 22 46 6  o 1.369000       0.9182000     150.0709      -154.3 
1 1 1 22 46 7  o 1.987000       1.004000      148.9039      -156.5 
1 1 1 22 46 8  o 1.018000       1.302000      182.4706      151.5  
1 1 1 22 46 9  o 2.112000       1.307000      275.2099      38.1   
1 1 1 22 46 10 o 1.090000       1.217000      92.41148      -109.7 
1 1 1 22 46 11 o 1.700000       1.215000      88.98987      -61.6  
1 1 1 22 46 12 o 1.818000       1.251000      ?             ?      
1 1 1 22 46 13 o 3.330000       1.515000      ?             ?      
1 1 1 22 46 14 o 2.097000       1.560000      ?             ?      
1 1 1 22 46 15 o 2.520000       1.318000      ?             ?      
1 1 1 22 46 16 o -0.3032000     1.247000      ?             ?      
1 1 1 22 46 17 o 0.2993000E-02  1.459000      ?             ?      
1 1 1 22 46 18 o -3.008000      1.504000      ?             ?      
1 1 1 22 46 19 o -0.2546000     2.155000      ?             ?      
1 1 1 22 46 20 o 2.984000       2.249000      ?             ?      
1 1 1 22 46 21 o 0.4508000      1.612000      ?             ?      
1 1 1 22 46 22 o -0.6486000     1.613000      ?             ?      
1 1 1 22 46 23 o 1.502000       1.615000      ?             ?      
1 1 1 22 46 24 o 0.7212000      1.621000      ?             ?      
1 1 1 22 46 25 o -0.1747000     1.579000      ?             ?      
1 1 1 22 46 26 o -0.1424000     1.596000      ?             ?      
1 1 1 22 46 27 o -0.6856000     1.588000      ?             ?      
1 1 1 22 46 28 o -0.8929000     1.614000      ?             ?      
1 1 1 22 46 29 o -1.716000      1.590000      ?             ?      
1 1 1 22 46 30 o 1.586000       1.359000      ?             ?      
1 1 1 22 46 31 o -0.5500000E-01 1.280000      ?             ?      
1 1 1 22 46 32 o 0.3933000      1.282000      ?             ?      
1 1 1 22 46 33 o -1.280000      1.461000      ?             ?      
1 1 1 22 46 34 o -2.623000      1.272000      ?             ?      
1 1 1 22 46 35 o -0.2014000     1.266000      ?             ?      
1 1 1 22 46 36 o 0.4834000      1.456000      ?             ?      
1 1 1 22 46 37 o 0.4111000      1.463000      ?             ?      
1 1 1 22 46 38 o -0.4001000     1.225000      ?             ?      
1 1 1 22 46 39 o 1.534000       1.220000      ?             ?      
1 1 1 22 46 40 o -0.1564000     1.220000      ?             ?      
1 1 1 22 46 41 o 0.3874000      1.224000      ?             ?      
1 1 1 22 46 42 o 1.880000       1.239000      ?             ?      
1 1 1 22 46 43 o 0.5993000      1.245000      ?             ?      
1 1 1 22 46 44 o -0.3854000     1.234000      ?             ?      
1 1 1 22 46 45 o 1.013000       1.240000      ?             ?      
1 1 1 22 46 46 o -0.9069000     1.242000      ?             ?      
1 1 1 22 46 47 o -1.468000      1.350000      ?             ?      
1 1 1 22 47 0  o 4.234000       1.318000      296.9048      180.0  
1 1 1 22 47 1  o 1.585000       1.052000      37.76665      -55.1  
1 1 1 22 47 2  o 0.8718000      1.071000      138.0335      85.0   
1 1 1 22 47 3  o 0.5593000      1.054000      105.7709      57.8   
1 1 1 22 47 4  o 1.290000       1.051000      227.4774      -116.3 
1 1 1 22 47 5  o 1.553000       1.028000      ?             ?      
1 1 1 22 47 6  o 1.294000       0.8960000     ?             ?      
1 1 1 22 47 7  o -1.079000      0.9405000     ?             ?      
1 1 1 22 47 8  o 0.9608000      1.225000      ?             ?      
1 1 1 22 47 9  o 0.9351000      1.234000      ?             ?      
1 1 1 22 47 10 f -0.1937000     1.233000      ?             ?      
1 1 1 22 47 11 o -0.5728000     1.210000      ?             ?      
1 1 1 22 47 12 o -1.035000      1.268000      ?             ?      
1 1 1 22 47 13 o 2.326000       1.456000      ?             ?      
1 1 1 22 47 14 o 0.6389000      1.463000      ?             ?      
1 1 1 22 47 15 o -0.8738000     1.233000      ?             ?      
1 1 1 22 47 16 o 0.3655000      1.201000      ?             ?      
1 1 1 22 47 17 o 0.9006000      1.425000      ?             ?      
1 1 1 22 47 18 o 2.358000       2.143000      ?             ?      
1 1 1 22 47 19 o -0.9661000     2.199000      ?             ?      
1 1 1 22 47 20 o 0.7987000      1.592000      ?             ?      
1 1 1 22 47 21 o 1.763000       1.603000      ?             ?      
1 1 1 22 47 22 o 0.4240000      1.565000      ?             ?      
1 1 1 22 47 23 o 0.2391000      1.581000      ?             ?      
1 1 1 22 47 24 o 0.5570000      1.582000      ?             ?      
1 1 1 22 47 25 o 1.103000       1.603000      ?             ?      
1 1 1 22 47 26 o 1.524000       1.598000      ?             ?      
1 1 1 22 47 27 o 1.678000       1.597000      ?             ?      
1 1 1 22 47 28 o 1.223000       1.599000      ?             ?      
1 1 1 22 47 29 o 1.352000       1.627000      ?             ?      
1 1 1 22 47 30 o 1.292000       1.613000      ?             ?      
1 1 1 22 47 31 o -0.5529000     1.626000      ?             ?      
1 1 1 22 47 32 f 0.5857000      1.535000      ?             ?      
1 1 1 22 47 33 o -0.1447000     1.488000      ?             ?      
1 1 1 22 47 34 o -0.6836000     1.293000      ?             ?      
1 1 1 22 47 35 o 0.1243000      1.285000      ?             ?      
1 1 1 22 47 36 o 0.8772000      1.471000      ?             ?      
1 1 1 22 47 37 o -1.281000      1.253000      ?             ?      
1 1 1 22 47 38 o -0.3887000     1.277000      ?             ?      
1 1 1 22 47 39 o -0.2367000     1.303000      ?             ?      
1 1 1 22 47 40 o -0.9366000     1.247000      ?             ?      
1 1 1 22 47 41 o 0.9571000      1.235000      ?             ?      
1 1 1 22 47 42 o 1.314000       2.287000      ?             ?      
1 1 1 22 47 43 o 0.6593000      1.247000      ?             ?      
1 1 1 22 47 44 o 0.2230000      1.255000      ?             ?      
1 1 1 22 47 45 o -0.4199000     1.052000      ?             ?      
1 1 1 22 47 46 o -0.8066000     1.792000      ?             ?      
1 1 1 22 48 0  o 2.776000       1.290000      ?             ?      
1 1 1 22 48 1  o 0.9770000      1.087000      ?             ?      
1 1 1 22 48 2  o 1.113000       1.107000      ?             ?      
1 1 1 22 48 3  o -0.5702000E-01 1.025000      ?             ?      
1 1 1 22 48 4  o 0.5062000      0.9826000     ?             ?      
1 1 1 22 48 5  o 0.6521000      0.9791000     ?             ?      
1 1 1 22 48 6  o -0.4963000     0.9232000     ?             ?      
1 1 1 22 48 7  o -0.4524000     1.013000      ?             ?      
1 1 1 22 48 8  o -0.3781000     1.244000      ?             ?      
1 1 1 22 48 9  o 0.2084000E-01  1.167000      ?             ?      
1 1 1 22 48 10 o 2.299000       1.198000      ?             ?      
1 1 1 22 48 11 o 0.8023000      1.199000      ?             ?      
1 1 1 22 48 12 o -1.552000      1.391000      ?             ?      
1 1 1 22 48 13 o -0.7254000     1.424000      ?             ?      
1 1 1 22 48 14 o 1.944000       1.219000      ?             ?      
1 1 1 22 48 15 o -0.8400000E-01 1.191000      ?             ?      
1 1 1 22 48 16 o 0.5153000      1.185000      ?             ?      
1 1 1 22 48 17 o 0.3155000      1.506000      ?             ?      
1 1 1 22 48 18 o 1.851000       2.175000      ?             ?      
1 1 1 22 48 19 o -1.536000      2.176000      ?             ?      
1 1 1 22 48 20 o 0.7771000      1.573000      ?             ?      
1 1 1 22 48 21 o -0.6715000     1.563000      ?             ?      
1 1 1 22 48 22 o -0.8800000E-01 1.553000      ?             ?      
1 1 1 22 48 23 o 0.5584000E-01  1.553000      ?             ?      
1 1 1 22 48 24 o 2.178000       1.542000      ?             ?      
1 1 1 22 48 25 o 2.713000       1.593000      ?             ?      
1 1 1 22 48 26 o -0.6072000     1.591000      ?             ?      
1 1 1 22 48 27 o 1.859000       1.616000      ?             ?      
1 1 1 22 48 28 o 1.565000       1.597000      ?             ?      
1 1 1 22 48 29 o 1.630000       1.636000      ?             ?      
1 1 1 22 48 30 o -0.4815000     1.599000      ?             ?      
1 1 1 22 48 31 o 1.615000       2.209000      ?             ?      
1 1 1 22 48 32 o 1.415000       2.190000      ?             ?      
1 1 1 22 48 33 o -0.8039000E-02 1.361000      ?             ?      
1 1 1 22 48 34 o 0.3812000      1.287000      ?             ?      
1 1 1 22 48 35 o 3.040000       1.542000      ?             ?      
1 1 1 22 48 36 o -1.457000      1.490000      ?             ?      
1 1 1 22 48 37 o 1.783000       1.296000      ?             ?      
1 1 1 22 48 38 o 0.7479000E-01  1.312000      ?             ?      
1 1 1 22 48 39 o -0.5186000     1.305000      ?             ?      
1 1 1 22 48 40 o -2.436000      1.307000      ?             ?      
1 1 1 22 48 41 o 0.8321000      1.311000      ?             ?      
1 1 1 22 48 42 o 2.542000       1.267000      ?             ?      
1 1 1 22 48 43 o 0.2412000      1.255000      ?             ?      
1 1 1 22 48 44 o 2.238000       1.248000      ?             ?      
1 1 1 22 48 45 < 0.000000       -1.000000     ?             ?      
1 1 1 22 49 0  o -0.4578000     1.215000      ?             ?      
1 1 1 22 49 1  o 0.7491000      0.8895000     ?             ?      
1 1 1 22 49 2  o 1.383000       0.9436000     ?             ?      
1 1 1 22 49 3  o -0.3305000     0.9550000     ?             ?      
1 1 1 22 49 4  o 0.9498000      1.466000      ?             ?      
1 1 1 22 49 5  o 1.058000       1.120000      ?             ?      
1 1 1 22 49 6  o -0.7912000     0.8681000     ?             ?      
1 1 1 22 49 7  o 1.005000       1.105000      ?             ?      
1 1 1 22 49 8  o 1.079000       1.241000      ?             ?      
1 1 1 22 49 9  o 0.9620000      1.173000      ?             ?      
1 1 1 22 49 10 o 2.042000       1.195000      ?             ?      
1 1 1 22 49 11 o -0.4134000E-01 1.373000      ?             ?      
1 1 1 22 49 12 o -1.143000      1.396000      ?             ?      
1 1 1 22 49 13 o 1.417000       1.245000      ?             ?      
1 1 1 22 49 14 o 1.713000       1.219000      ?             ?      
1 1 1 22 49 15 o 2.061000       1.418000      ?             ?      
1 1 1 22 49 16 o -0.6446000E-01 1.211000      ?             ?      
1 1 1 22 49 17 o 0.2194000      2.096000      ?             ?      
1 1 1 22 49 18 o -4.806000      2.117000      ?             ?      
1 1 1 22 49 19 o -0.1834000     1.555000      ?             ?      
1 1 1 22 49 20 o 1.584000       1.539000      ?             ?      
1 1 1 22 49 21 o 0.1604000      1.527000      ?             ?      
1 1 1 22 49 22 o 1.602000       1.543000      ?             ?      
1 1 1 22 49 23 o 2.257000       1.539000      ?             ?      
1 1 1 22 49 24 o 0.9953000      1.540000      ?             ?      
1 1 1 22 49 25 o 1.295000       1.576000      ?             ?      
1 1 1 22 49 26 o 0.7818000      1.575000      ?             ?      
1 1 1 22 49 27 o 1.399000       1.600000      ?             ?      
1 1 1 22 49 28 o 2.196000       1.638000      ?             ?      
1 1 1 22 49 29 o 0.1209000      1.598000      ?             ?      
1 1 1 22 49 30 o 1.226000       1.602000      ?             ?      
1 1 1 22 49 31 o -0.6233000     2.168000      ?             ?      
1 1 1 22 49 32 o 0.6412000      1.704000      ?             ?      
1 1 1 22 49 33 o 0.1115000      1.660000      ?             ?      
1 1 1 22 49 34 o -0.2692000     1.664000      ?             ?      
1 1 1 22 49 35 o -0.5121000     1.648000      ?             ?      
1 1 1 22 49 36 o -0.8048000     1.288000      ?             ?      
1 1 1 22 49 37 o 0.1550000      1.315000      ?             ?      
1 1 1 22 49 38 o 0.3051000      1.315000      ?             ?      
1 1 1 22 49 39 o 3.627000       1.328000      ?             ?      
1 1 1 22 49 40 o 0.8206000      1.313000      ?             ?      
1 1 1 22 49 41 o -0.7546000     1.310000      ?             ?      
1 1 1 22 49 42 o 2.400000       1.354000      ?             ?      
1 1 1 22 49 43 o -0.5925000     1.030000      ?             ?      
1 1 1 22 50 0  o 0.5387000      1.317000      ?             ?      
1 1 1 22 50 1  o -0.5717000     0.8960000     ?             ?      
1 1 1 22 50 2  o 0.4362000      0.9230000     ?             ?      
1 1 1 22 50 3  o -0.3690000     0.8984000     ?             ?      
1 1 1 22 50 4  o -1.122000      1.583000      ?             ?      
1 1 1 22 50 5  o -1.591000      1.554000      ?             ?      
1 1 1 22 50 6  o -0.6138000     0.8597000     ?             ?      
1 1 1 22 50 7  f -0.9015000E-01 0.9548000     ?             ?      
1 1 1 22 50 8  o 0.5593000      1.234000      ?             ?      
1 1 1 22 50 9  o 0.2900000      1.192000      ?             ?      
1 1 1 22 50 10 o -0.5377000E-01 1.157000      ?             ?      
1 1 1 22 50 11 o 2.009000       1.373000      ?             ?      
1 1 1 22 50 12 o -1.051000      1.430000      ?             ?      
1 1 1 22 50 13 o 0.3876000      1.178000      ?             ?      
1 1 1 22 50 14 o 1.114000       1.177000      ?             ?      
1 1 1 22 50 15 o 0.6773000      1.196000      ?             ?      
1 1 1 22 50 16 o -0.1876000E-02 1.219000      ?             ?      
1 1 1 22 50 17 o -1.363000      2.061000      ?             ?      
1 1 1 22 50 18 o 1.474000       2.103000      ?             ?      
1 1 1 22 50 19 o 0.6221000      1.528000      ?             ?      
1 1 1 22 50 20 o 1.891000       1.518000      ?             ?      
1 1 1 22 50 21 o 1.187000       1.552000      ?             ?      
1 1 1 22 50 22 o -0.3248000     1.517000      ?             ?      
1 1 1 22 50 23 o -0.9667000     1.536000      ?             ?      
1 1 1 22 50 24 o 0.5334000      1.592000      ?             ?      
1 1 1 22 50 25 o -1.810000      1.570000      ?             ?      
1 1 1 22 50 26 o -0.5202000E-02 1.589000      ?             ?      
1 1 1 22 50 27 o 0.4770000      1.574000      ?             ?      
1 1 1 22 50 28 o -3.025000      1.593000      ?             ?      
1 1 1 22 50 29 o -0.4649000     1.627000      ?             ?      
1 1 1 22 50 30 o 2.405000       2.186000      ?             ?      
1 1 1 22 50 31 o -2.691000      2.167000      ?             ?      
1 1 1 22 50 32 o -1.230000      1.650000      ?             ?      
1 1 1 22 50 33 o 2.596000       1.698000      ?             ?      
1 1 1 22 50 34 o 0.1090000      2.238000      ?             ?      
1 1 1 22 50 35 o 0.2542000      1.315000      ?             ?      
1 1 1 22 50 36 o 1.032000       1.338000      ?             ?      
1 1 1 22 50 37 o 1.298000       1.370000      ?             ?      
1 1 1 22 50 38 o -0.4972000     1.319000      ?             ?      
1 1 1 22 50 39 o -1.358000      1.310000      ?             ?      
1 1 1 22 50 40 o 1.102000       1.324000      ?             ?      
1 1 1 22 50 41 o -0.9004000     1.699000      ?             ?      
1 1 1 22 51 0  o 0.5859000      1.208000      ?             ?      
1 1 1 22 51 1  o 0.8769000      0.9269000     ?             ?      
1 1 1 22 51 2  o 0.7220000      1.045000      ?             ?      
1 1 1 22 51 3  o 1.013000       0.9105000     ?             ?      
1 1 1 22 51 4  o -0.1702000     0.9631000     ?             ?      
1 1 1 22 51 5  o -1.304000      0.9025000     ?             ?      
1 1 1 22 51 6  o -0.4148000     0.8295000     ?             ?      
1 1 1 22 51 7  o 0.3905000      0.8487000     ?             ?      
1 1 1 22 51 8  o -0.1620000     1.385000      ?             ?      
1 1 1 22 51 9  o -2.362000      1.352000      ?             ?      
1 1 1 22 51 10 o -1.338000      1.338000      ?             ?      
1 1 1 22 51 11 o 1.771000       1.396000      ?             ?      
1 1 1 22 51 12 o -1.288000      1.204000      ?             ?      
1 1 1 22 51 13 o -1.764000      1.174000      ?             ?      
1 1 1 22 51 14 o -0.2060000     1.183000      ?             ?      
1 1 1 22 51 15 o 1.637000       1.216000      ?             ?      
1 1 1 22 51 16 o 2.650000       2.073000      ?             ?      
1 1 1 22 51 17 o -3.053000      2.065000      ?             ?      
1 1 1 22 51 18 o -0.6698000     1.459000      ?             ?      
1 1 1 22 51 19 o 0.3319000E-01  1.491000      ?             ?      
1 1 1 22 51 20 o -2.645000      1.515000      ?             ?      
1 1 1 22 51 21 o 0.7003000      1.547000      ?             ?      
1 1 1 22 51 22 o -2.387000      1.537000      ?             ?      
1 1 1 22 51 23 o 1.622000       1.569000      ?             ?      
1 1 1 22 51 24 o -2.538000      1.570000      ?             ?      
1 1 1 22 51 25 o 0.9057000      1.566000      ?             ?      
1 1 1 22 51 26 o 4.608000       1.621000      ?             ?      
1 1 1 22 51 27 o 1.183000       1.612000      ?             ?      
1 1 1 22 51 28 o -1.033000      1.606000      ?             ?      
1 1 1 22 51 29 o -0.8860000E-01 2.117000      ?             ?      
1 1 1 22 51 30 o 2.125000       2.170000      ?             ?      
1 1 1 22 51 31 o -1.898000      1.710000      ?             ?      
1 1 1 22 51 32 o -1.583000      1.690000      ?             ?      
1 1 1 22 51 33 o -0.7141000     2.252000      ?             ?      
1 1 1 22 51 34 o -3.645000      2.277000      ?             ?      
1 1 1 22 51 35 o -0.6547000     1.317000      ?             ?      
1 1 1 22 51 36 o 1.171000       1.712000      ?             ?      
1 1 1 22 51 37 o 3.847000       1.711000      ?             ?      
1 1 1 22 51 38 o -0.8453000     1.350000      ?             ?      
1 1 1 22 51 39 o -0.9543000     1.350000      ?             ?      
1 1 1 22 51 40 o -1.826000      1.667000      ?             ?      
1 1 1 22 52 0  o -0.2099000     1.148000      ?             ?      
1 1 1 22 52 1  o 0.4400000      0.8231000     ?             ?      
1 1 1 22 52 2  o -0.6081000     0.8938000     ?             ?      
1 1 1 22 52 3  o 0.6943000      0.9531000     ?             ?      
1 1 1 22 52 4  o -0.3242000     0.9445000     ?             ?      
1 1 1 22 52 5  o 0.8162000      0.9166000     ?             ?      
1 1 1 22 52 6  o -0.1494000     0.8480000     ?             ?      
1 1 1 22 52 7  o 1.046000       0.8572000     ?             ?      
1 1 1 22 52 8  o -1.664000      1.206000      ?             ?      
1 1 1 22 52 9  o -1.817000      1.161000      ?             ?      
1 1 1 22 52 10 o -0.7389000E-01 1.355000      ?             ?      
1 1 1 22 52 11 o -1.622000      1.908000      ?             ?      
1 1 1 22 52 12 o -1.895000      1.401000      ?             ?      
1 1 1 22 52 13 o 0.4129000      1.401000      ?             ?      
1 1 1 22 52 14 o -0.1982000     1.172000      ?             ?      
1 1 1 22 52 15 o -0.7320000     1.184000      ?             ?      
1 1 1 22 52 16 o 2.646000       2.053000      ?             ?      
1 1 1 22 52 17 o 1.488000       2.061000      ?             ?      
1 1 1 22 52 18 o 1.214000       1.497000      ?             ?      
1 1 1 22 52 19 o 1.429000       1.530000      ?             ?      
1 1 1 22 52 20 o 2.689000       1.559000      ?             ?      
1 1 1 22 52 21 o -1.693000      1.531000      ?             ?      
1 1 1 22 52 22 o -0.7705000     1.519000      ?             ?      
1 1 1 22 52 23 o -0.6772000     1.555000      ?             ?      
1 1 1 22 52 24 o -1.141000      1.574000      ?             ?      
1 1 1 22 52 25 o 0.4166000      1.589000      ?             ?      
1 1 1 22 52 26 o -0.5023000     1.589000      ?             ?      
1 1 1 22 52 27 o 0.3254000      1.579000      ?             ?      
1 1 1 22 52 28 o -0.5758000     1.621000      ?             ?      
1 1 1 22 52 29 o 4.577000       2.203000      ?             ?      
1 1 1 22 52 30 o 2.645000       2.229000      ?             ?      
1 1 1 22 52 31 o -1.057000      1.696000      ?             ?      
1 1 1 22 52 32 o 0.6785000      1.692000      ?             ?      
1 1 1 22 52 33 o -0.3810000     2.322000      ?             ?      
1 1 1 22 52 34 o -0.8697000     2.318000      ?             ?      
1 1 1 22 52 35 o -1.386000      1.682000      ?             ?      
1 1 1 22 52 36 o 0.4567000      1.711000      ?             ?      
1 1 1 22 52 37 o -1.928000      1.694000      ?             ?      
1 1 1 22 52 38 o -2.404000      1.708000      ?             ?      
1 1 1 22 53 0  o -0.3347000     1.124000      ?             ?      
1 1 1 22 53 1  o 1.146000       0.7942000     ?             ?      
1 1 1 22 53 2  o 0.8039000      0.8007000     ?             ?      
1 1 1 22 53 3  o 1.323000       0.8382000     ?             ?      
1 1 1 22 53 4  o -0.6950000     0.9200000     ?             ?      
1 1 1 22 53 5  o 0.4230000      0.9376000     ?             ?      
1 1 1 22 53 6  o 1.423000       0.8814000     ?             ?      
1 1 1 22 53 7  o -0.9462000     0.8233000     ?             ?      
1 1 1 22 53 8  o 0.4406000      1.209000      ?             ?      
1 1 1 22 53 9  o -1.686000      1.343000      ?             ?      
1 1 1 22 53 10 o 1.177000       1.365000      ?             ?      
1 1 1 22 53 11 o -0.3603000     1.183000      ?             ?      
1 1 1 22 53 12 o -0.8618000     1.155000      ?             ?      
1 1 1 22 53 13 o -0.5441000     1.147000      ?             ?      
1 1 1 22 53 14 o 0.1987000      1.161000      ?             ?      
1 1 1 22 53 15 o 0.9162000      1.416000      ?             ?      
1 1 1 22 53 16 o 1.098000       2.043000      ?             ?      
1 1 1 22 53 17 o -1.022000      2.047000      ?             ?      
1 1 1 22 53 18 o -0.6873000     1.470000      ?             ?      
1 1 1 22 53 19 o 1.139000       1.549000      ?             ?      
1 1 1 22 53 20 o -0.4589000     1.547000      ?             ?      
1 1 1 22 53 21 o 0.2549000      1.550000      ?             ?      
1 1 1 22 53 22 o 0.3186000E-01  1.551000      ?             ?      
1 1 1 22 53 23 o 1.713000       1.570000      ?             ?      
1 1 1 22 53 24 o -0.7677000     1.557000      ?             ?      
1 1 1 22 53 25 o 1.800000       1.579000      ?             ?      
1 1 1 22 53 26 o -0.6556000     1.575000      ?             ?      
1 1 1 22 53 27 o -1.179000      1.600000      ?             ?      
1 1 1 22 53 28 o 2.804000       2.177000      ?             ?      
1 1 1 22 53 29 o -2.906000      2.142000      ?             ?      
1 1 1 22 53 30 o -0.6443000     1.654000      ?             ?      
1 1 1 22 53 31 o -3.123000      1.658000      ?             ?      
1 1 1 22 53 32 o -2.396000      2.305000      ?             ?      
1 1 1 22 53 33 o -3.201000      2.334000      ?             ?      
1 1 1 22 53 34 o -2.255000      1.660000      ?             ?      
1 1 1 22 53 35 o 3.310000       1.774000      ?             ?      
1 1 1 22 53 36 o 0.3031000      1.372000      ?             ?      
1 1 1 22 54 0  o -0.5488000E-01 1.117000      ?             ?      
1 1 1 22 54 1  o 1.042000       0.7865000     ?             ?      
1 1 1 22 54 2  o 0.3704000      0.7848000     ?             ?      
1 1 1 22 54 3  o 1.602000       0.8282000     ?             ?      
1 1 1 22 54 4  o -1.286000      0.9010000     ?             ?      
1 1 1 22 54 5  o -1.328000      0.8584000     ?             ?      
1 1 1 22 54 6  o 0.3126000      0.8446000     ?             ?      
1 1 1 22 54 7  o -0.3167000     0.8065000     ?             ?      
1 1 1 22 54 8  o -1.082000      1.279000      ?             ?      
1 1 1 22 54 9  o -1.387000      1.354000      ?             ?      
1 1 1 22 54 10 o 2.126000       1.349000      ?             ?      
1 1 1 22 54 11 o 0.2571000E-01  1.173000      ?             ?      
1 1 1 22 54 12 o 0.3427000      1.163000      ?             ?      
1 1 1 22 54 13 o -1.880000      1.342000      ?             ?      
1 1 1 22 54 14 o -0.4427000     1.360000      ?             ?      
1 1 1 22 54 15 o 1.934000       1.442000      ?             ?      
1 1 1 22 54 16 o -1.654000      2.035000      ?             ?      
1 1 1 22 54 17 o 0.3110000      1.458000      ?             ?      
1 1 1 22 54 18 o -0.5583000     2.074000      ?             ?      
1 1 1 22 54 19 o 0.6322000E-01  2.153000      ?             ?      
1 1 1 22 54 20 o 2.612000       2.172000      ?             ?      
1 1 1 22 54 21 o -1.888000      1.563000      ?             ?      
1 1 1 22 54 22 o 1.891000       1.565000      ?             ?      
1 1 1 22 54 23 o -2.187000      1.569000      ?             ?      
1 1 1 22 54 24 o 0.6931000      1.585000      ?             ?      
1 1 1 22 54 25 o 2.052000       1.566000      ?             ?      
1 1 1 22 54 26 o 1.771000       1.585000      ?             ?      
1 1 1 22 54 27 o -2.802000      1.602000      ?             ?      
1 1 1 22 54 28 o 3.567000       2.173000      ?             ?      
1 1 1 22 54 29 o 4.919000       1.669000      ?             ?      
1 1 1 22 54 30 o 0.7445000E-01  1.601000      ?             ?      
1 1 1 22 54 31 o 0.1086000      1.640000      ?             ?      
1 1 1 22 54 32 o 5.813000       2.460000      ?             ?      
1 1 1 22 54 33 o 2.085000       2.346000      ?             ?      
1 1 1 22 54 34 o 4.409000       3.232000      ?             ?      
1 1 1 22 55 0  o -0.3263000     1.113000      ?             ?      
1 1 1 22 55 1  o 1.098000       0.7837000     ?             ?      
1 1 1 22 55 2  o 0.2496000      0.7805000     ?             ?      
1 1 1 22 55 3  o -0.1915000     0.8133000     ?             ?      
1 1 1 22 55 4  o -0.9885000E-01 0.8949000     ?             ?      
1 1 1 22 55 5  o -0.6880000     0.8534000     ?             ?      
1 1 1 22 55 6  o 0.2231000E-01  0.8313000     ?             ?      
1 1 1 22 55 7  o -1.440000      0.8095000     ?             ?      
1 1 1 22 55 8  o -0.8450000     1.360000      ?             ?      
1 1 1 22 55 9  o 2.165000       1.347000      ?             ?      
1 1 1 22 55 10 o 2.101000       1.162000      ?             ?      
1 1 1 22 55 11 o 0.9372000      1.150000      ?             ?      
1 1 1 22 55 12 o 0.6998000      1.150000      ?             ?      
1 1 1 22 55 13 o 0.3867000      1.157000      ?             ?      
1 1 1 22 55 14 o 1.159000       1.176000      ?             ?      
1 1 1 22 55 15 o 1.362000       1.438000      ?             ?      
1 1 1 22 55 16 o -0.6014000     0.9293000     ?             ?      
1 1 1 22 55 17 o -2.862000      1.900000      ?             ?      
1 1 1 22 55 18 o 0.2158000      2.007000      ?             ?      
1 1 1 22 55 19 o -1.863000      1.522000      ?             ?      
1 1 1 22 55 20 o -0.3175000     1.534000      ?             ?      
1 1 1 22 55 21 o 0.9823000      1.593000      ?             ?      
1 1 1 22 55 22 o 1.723000       2.163000      ?             ?      
1 1 1 22 55 23 o 1.112000       2.211000      ?             ?      
1 1 1 22 55 24 o -1.880000      2.261000      ?             ?      
1 1 1 22 55 25 o 1.116000       2.940000      ?             ?      
1 1 1 22 55 26 o -0.4872000E-01 1.558000      ?             ?      
1 1 1 22 55 27 o -1.944000      2.151000      ?             ?      
1 1 1 22 55 28 o -2.683000      4.245000      ?             ?      
1 1 1 22 55 29 o -0.3214000     1.159000      ?             ?      
1 1 1 22 55 30 o 1.158000       1.659000      ?             ?      
1 1 1 22 55 31 o 2.157000       2.334000      ?             ?      
1 1 1 22 55 32 o 2.083000       2.352000      ?             ?      
1 1 1 22 56 0  o 0.8841000      1.132000      ?             ?      
1 1 1 22 56 1  o -0.3934000     0.7920000     ?             ?      
1 1 1 22 56 2  o 0.4683000E-01  0.7824000     ?             ?      
1 1 1 22 56 3  o 0.3237000      0.8185000     ?             ?      
1 1 1 22 56 4  o -1.152000      0.8224000     ?             ?      
1 1 1 22 56 5  o -0.9071000     0.8962000     ?             ?      
1 1 1 22 56 6  o 0.9916000      0.8635000     ?             ?      
1 1 1 22 56 7  o -0.1332000     0.8564000     ?             ?      
1 1 1 22 56 8  o 0.9416000      1.315000      ?             ?      
1 1 1 22 56 9  o -2.159000      1.323000      ?             ?      
1 1 1 22 56 10 o -1.174000      1.141000      ?             ?      
1 1 1 22 56 11 o 1.494000       1.153000      ?             ?      
1 1 1 22 56 12 o -0.5831000     1.153000      ?             ?      
1 1 1 22 56 13 o 1.098000       1.175000      ?             ?      
1 1 1 22 56 14 o -2.131000      1.403000      ?             ?      
1 1 1 22 56 15 o -0.5183000     1.417000      ?             ?      
1 1 1 22 56 16 o -0.7322000     1.477000      ?             ?      
1 1 1 22 56 17 o -1.283000      0.9905000     ?             ?      
1 1 1 22 56 18 o 0.9835000      1.495000      ?             ?      
1 1 1 22 56 19 o -1.675000      1.511000      ?             ?      
1 1 1 22 56 20 o 3.312000       2.032000      ?             ?      
1 1 1 22 56 21 o -1.208000      2.070000      ?             ?      
1 1 1 22 56 22 o -3.078000      2.068000      ?             ?      
1 1 1 22 56 23 o 0.6101000      1.605000      ?             ?      
1 1 1 22 56 24 o 0.1474000E-01  1.595000      ?             ?      
1 1 1 22 56 25 o -1.152000      1.004000      ?             ?      
1 1 1 22 56 26 o -0.2084000     0.9936000     ?             ?      
1 1 1 22 56 27 o -1.602000      1.115000      ?             ?      
1 1 1 22 56 28 o -0.9498000     1.208000      ?             ?      
1 1 1 22 56 29 o 0.2142000      2.339000      ?             ?      
1 1 1 22 56 30 o -0.1186000     1.691000      ?             ?      
1 1 1 22 57 0  o -1.007000      1.406000      ?             ?      
1 1 1 22 57 1  o -0.3982000     0.7881000     ?             ?      
1 1 1 22 57 2  o 0.3809000      0.7834000     ?             ?      
1 1 1 22 57 3  o 1.252000       0.8248000     ?             ?      
1 1 1 22 57 4  o 0.3248000      0.8362000     ?             ?      
1 1 1 22 57 5  o 0.1800000      0.8993000     ?             ?      
1 1 1 22 57 6  o 0.1340000      0.8563000     ?             ?      
1 1 1 22 57 7  o -0.8422000     0.8643000     ?             ?      
1 1 1 22 57 8  o -1.232000      1.326000      ?             ?      
1 1 1 22 57 9  o -0.1854000     1.177000      ?             ?      
1 1 1 22 57 10 o 0.3220000      1.134000      ?             ?      
1 1 1 22 57 11 o -0.3867000     1.150000      ?             ?      
1 1 1 22 57 12 o 0.7757000      1.153000      ?             ?      
1 1 1 22 57 13 o -0.1055000     1.166000      ?             ?      
1 1 1 22 57 14 o 1.540000       1.419000      ?             ?      
1 1 1 22 57 15 o 3.991000       1.421000      ?             ?      
1 1 1 22 57 16 o 0.4636000E-01  1.419000      ?             ?      
1 1 1 22 57 17 o -0.3359000     1.446000      ?             ?      
1 1 1 22 57 18 o 1.225000       1.463000      ?             ?      
1 1 1 22 57 19 o -1.379000      1.520000      ?             ?      
1 1 1 22 57 20 o -0.5353000     1.566000      ?             ?      
1 1 1 22 57 21 o -4.402000      2.868000      ?             ?      
1 1 1 22 57 22 o 0.4915000      1.605000      ?             ?      
1 1 1 22 57 23 o 1.171000       1.604000      ?             ?      
1 1 1 22 57 24 o 4.702000       2.193000      ?             ?      
1 1 1 22 57 25 o -0.9183000     2.110000      ?             ?      
1 1 1 22 57 26 o 0.2867000      4.191000      ?             ?      
1 1 1 22 57 27 o 0.8092000      2.223000      ?             ?      
1 1 1 22 58 0  o 1.400000       1.419000      ?             ?      
1 1 1 22 58 1  o 0.4460000      0.7880000     ?             ?      
1 1 1 22 58 2  o -0.2640000     0.7800000     ?             ?      
1 1 1 22 58 3  o 0.4112000      0.8287000     ?             ?      
1 1 1 22 58 4  o -0.2262000E-01 0.8362000     ?             ?      
1 1 1 22 58 5  o 1.203000       0.9050000     ?             ?      
1 1 1 22 58 6  o 0.2920000      0.9013000     ?             ?      
1 1 1 22 58 7  o 0.7831000      0.8735000     ?             ?      
1 1 1 22 58 8  o -0.6808000     1.315000      ?             ?      
1 1 1 22 58 9  o 0.5728000      1.209000      ?             ?      
1 1 1 22 58 10 o -0.5185000     1.127000      ?             ?      
1 1 1 22 58 11 o 0.7514000      1.146000      ?             ?      
1 1 1 22 58 12 o 0.7661000      1.149000      ?             ?      
1 1 1 22 58 13 o -0.1222000     1.162000      ?             ?      
1 1 1 22 58 14 o 0.8819000      1.417000      ?             ?      
1 1 1 22 58 15 o -1.620000      2.014000      ?             ?      
1 1 1 22 58 16 o 1.329000       1.471000      ?             ?      
1 1 1 22 58 17 o -3.392000      2.724000      ?             ?      
1 1 1 22 58 18 o -1.043000      1.479000      ?             ?      
1 1 1 22 58 19 o 2.743000       1.547000      ?             ?      
1 1 1 22 58 20 o -1.008000      1.536000      ?             ?      
1 1 1 22 58 21 o -0.3338000     1.557000      ?             ?      
1 1 1 22 58 22 o -0.2031000     1.620000      ?             ?      
1 1 1 22 58 23 o -1.094000      1.591000      ?             ?      
1 1 1 22 58 24 o 2.765000       1.609000      ?             ?      
1 1 1 22 59 0  o 0.5909000      1.410000      ?             ?      
1 1 1 22 59 1  o -0.1239000     0.8022000     ?             ?      
1 1 1 22 59 2  o -0.7772000     0.7937000     ?             ?      
1 1 1 22 59 3  o -0.6273000     0.8219000     ?             ?      
1 1 1 22 59 4  o -0.5060000     0.8356000     ?             ?      
1 1 1 22 59 5  o 0.7446000      0.9085000     ?             ?      
1 1 1 22 59 6  o -0.1899000     0.9003000     ?             ?      
1 1 1 22 59 7  o -0.5429000     0.9454000     ?             ?      
1 1 1 22 59 8  o 0.5739000      1.163000      ?             ?      
1 1 1 22 59 9  o 0.4201000      1.188000      ?             ?      
1 1 1 22 59 10 o 0.4600000      1.148000      ?             ?      
1 1 1 22 59 11 o 0.4300000      1.155000      ?             ?      
1 1 1 22 59 12 o -0.6110000     1.168000      ?             ?      
1 1 1 22 59 13 o 1.661000       1.439000      ?             ?      
1 1 1 22 59 14 o -1.103000      0.9328000     ?             ?      
1 1 1 22 59 15 o -0.8825000     2.699000      ?             ?      
1 1 1 22 59 16 o -0.3096000     1.706000      ?             ?      
1 1 1 22 59 17 o 0.2991000      1.466000      ?             ?      
1 1 1 22 59 18 o 0.5258000      1.522000      ?             ?      
1 1 1 22 59 19 o -2.489000      1.559000      ?             ?      
1 1 1 22 59 20 o 2.179000       1.587000      ?             ?      
1 1 1 22 59 21 o -1.276000      1.583000      ?             ?      
1 1 1 22 60 0  o 0.5772000      1.430000      ?             ?      
1 1 1 22 60 1  o 0.1841000      0.8154000     ?             ?      
1 1 1 22 60 2  o -0.1019000     0.7962000     ?             ?      
1 1 1 22 60 3  o 0.4827000      0.8393000     ?             ?      
1 1 1 22 60 4  o 0.6285000      0.8451000     ?             ?      
1 1 1 22 60 5  o 0.8119000      0.9370000     ?             ?      
1 1 1 22 60 6  o 0.8880000      0.9152000     ?             ?      
1 1 1 22 60 7  o -0.4717000     1.224000      ?             ?      
1 1 1 22 60 8  o 1.126000       1.143000      ?             ?      
1 1 1 22 60 9  o -0.2962000E-03 1.182000      ?             ?      
1 1 1 22 60 10 o 0.5209000      1.153000      ?             ?      
1 1 1 22 60 11 o -0.4366000     2.142000      ?             ?      
1 1 1 22 60 12 o 0.2935000      1.185000      ?             ?      
1 1 1 22 60 13 o -0.7562000     1.434000      ?             ?      
1 1 1 22 60 14 o -0.9299000     2.043000      ?             ?      
1 1 1 22 60 15 o 1.111000       1.474000      ?             ?      
1 1 1 22 60 16 o -0.6099000     1.485000      ?             ?      
1 1 1 22 60 17 o -0.4762000     4.279000      ?             ?      
1 1 1 22 61 0  o 1.430000       1.161000      ?             ?      
1 1 1 22 61 1  o -0.7732000     0.8155000     ?             ?      
1 1 1 22 61 2  o -1.047000      0.8029000     ?             ?      
1 1 1 22 61 3  o 0.3863000      0.8411000     ?             ?      
1 1 1 22 61 4  o 0.2290000      0.8447000     ?             ?      
1 1 1 22 61 5  o -0.1154000     0.9645000     ?             ?      
1 1 1 22 61 6  o 0.1437000E-01  0.9781000     ?             ?      
1 1 1 22 61 7  o 0.8285000      1.204000      ?             ?      
1 1 1 22 61 8  o 0.1983000      1.153000      ?             ?      
1 1 1 22 61 9  o 6.886000       2.758000      ?             ?      
1 1 1 22 61 10 o 0.2603000      1.443000      ?             ?      
1 1 1 22 61 11 o 2.145000       1.503000      ?             ?      
1 1 1 22 61 12 o -0.4609000     1.633000      ?             ?      
1 1 1 23 0  1  o -0.7543000     2.696000      65.87569      -90.0  
1 1 1 23 0  3  o 0.1911000      2.668000      75.68526      -90.0  
1 1 1 23 0  4  o -4.719000      2.709000      120.2306      180.0  
1 1 1 23 0  5  o 1.029000       1.819000      53.06578      90.0   
1 1 1 23 0  6  o -2.445000      2.380000      213.1382      180.0  
1 1 1 23 0  7  o -1.722000      2.746000      63.86409      90.0   
1 1 1 23 0  9  o -4.253000      4.345000      11.15442      90.0   
1 1 1 23 0  10 o 3.123000       4.029000      153.9791      180.0  
1 1 1 23 0  11 o 1.129000       2.062000      29.38800      -90.0  
1 1 1 23 0  12 o 0.1137000      1.771000      163.4816      -180.0 
1 1 1 23 0  13 o -0.6693000     1.697000      90.25317      -90.0  
1 1 1 23 0  14 o -0.1769000     1.437000      21.94752      -0.0   
1 1 1 23 0  15 o 0.6621000E-01  1.402000      47.14943      90.0   
1 1 1 23 0  16 o 0.5330000      1.453000      58.80475      -180.0 
1 1 1 23 0  17 o 1.507000       1.480000      16.11593      90.0   
1 1 1 23 0  18 o -2.909000      1.433000      29.14984      0.0    
1 1 1 23 0  19 o 0.4814000      1.442000      253.6710      90.0   
1 1 1 23 0  20 o -0.6060000     1.421000      324.2721      180.0  
1 1 1 23 0  21 o 1.143000       1.401000      47.44907      -90.0  
1 1 1 23 0  22 o -0.5523000     1.408000      95.30740      0.0    
1 1 1 23 0  23 o 1.358000       1.443000      253.8579      -90.0  
1 1 1 23 0  24 o -0.6670000     1.417000      70.62461      180.0  
1 1 1 23 0  25 o 0.5935000      1.411000      72.70332      -90.0  
1 1 1 23 0  26 o -1.985000      1.378000      241.1261      -0.0   
1 1 1 23 0  27 o -0.4499000     1.379000      258.0648      90.0   
1 1 1 23 0  28 o -0.7283000     1.391000      199.3521      -180.0 
1 1 1 23 0  29 o 3.970000       1.420000      297.2225      -90.0  
1 1 1 23 0  30 o -0.1676000     1.390000      24.72127      0.0    
1 1 1 23 0  31 o -0.8341000     1.402000      35.32784      90.0   
1 1 1 23 0  32 o 2.157000       1.424000      196.3795      -0.0   
1 1 1 23 0  33 o 0.5058000      1.423000      181.6454      90.0   
1 1 1 23 0  34 o 1.876000       1.448000      0.3148685     -180.0 
1 1 1 23 0  35 o 0.1331000E-01  1.447000      75.55630      90.0   
1 1 1 23 0  36 o 1.984000       1.473000      6.105870      -0.0   
1 1 1 23 0  37 o 3.760000       1.729000      183.6405      90.0   
1 1 1 23 0  38 o 4.984000       3.076000      23.20920      -0.0   
1 1 1 23 0  39 o -0.2677000     2.406000      246.9714      90.0   
1 1 1 23 0  40 o -1.430000      1.951000      3.741376      0.0    
1 1 1 23 0  41 o -0.1961000     1.937000      88.79323      90.0   
1 1 1 23 0  42 o 0.2727000      1.694000      48.63634      180.0  
1 1 1 23 0  43 o 1.966000       1.949000      67.28709      -90.0  
1 1 1 23 0  44 o -1.987000      1.725000      10.69058      180.0  
1 1 1 23 0  45 o -0.5991000     1.828000      134.3680      -90.0  
1 1 1 23 0  46 o 1.551000       1.813000      69.16743      180.0  
1 1 1 23 0  47 o -0.6282000     1.876000      48.23394      90.0   
1 1 1 23 0  48 o -2.033000      2.196000      34.41344      180.0  
1 1 1 23 0  49 o 2.259000       2.253000      172.8296      90.0   
1 1 1 23 0  50 o -1.570000      2.025000      11.01292      -180.0 
1 1 1 23 0  51 o 0.8090000      2.298000      140.4521      -90.0  
1 1 1 23 0  52 o -1.012000      2.013000      129.4275      -0.0   
1 1 1 23 0  53 o -0.7283000     2.290000      7.963325      90.0   
1 1 1 23 0  54 o -2.590000      1.963000      ?             ?      
1 1 1 23 0  55 o -1.590000      2.217000      ?             ?      
1 1 1 23 0  56 o 2.723000       2.220000      ?             ?      
1 1 1 23 0  57 o -0.4097000     2.480000      ?             ?      
1 1 1 23 0  58 o 1.850000       2.241000      ?             ?      
1 1 1 23 0  59 o 3.022000       2.090000      ?             ?      
1 1 1 23 0  60 o -1.891000      1.790000      ?             ?      
1 1 1 23 0  61 o -0.5637000     1.789000      ?             ?      
1 1 1 23 0  62 o -3.031000      1.763000      ?             ?      
1 1 1 23 0  63 o -1.823000      1.782000      ?             ?      
1 1 1 23 0  64 o 0.7981000      1.791000      ?             ?      
1 1 1 23 0  65 o -0.5880000     1.777000      ?             ?      
1 1 1 23 0  66 o 2.566000       1.853000      ?             ?      
1 1 1 23 0  67 o 3.070000       1.876000      ?             ?      
1 1 1 23 0  68 o -1.220000      1.879000      ?             ?      
1 1 1 23 0  69 o 1.555000       1.881000      ?             ?      
1 1 1 23 0  70 o -2.320000      2.248000      ?             ?      
1 1 1 23 1  0  o -0.5468000     2.768000      115.5961      -90.0  
1 1 1 23 1  1  o 5.532000       1.924000      525.0391      -160.8 
1 1 1 23 1  2  o 2.120000       1.861000      177.2164      4.8    
1 1 1 23 1  3  o 4.135000       1.874000      161.3737      105.0  
1 1 1 23 1  4  o 1.663000       1.576000      230.2531      -31.2  
1 1 1 23 1  5  o 1.390000       1.336000      83.03478      109.7  
1 1 1 23 1  6  o 6.357000       1.852000      260.9976      75.6   
1 1 1 23 1  7  o 1.677000       1.841000      239.2755      -47.2  
1 1 1 23 1  8  o 3.355000       2.680000      96.94358      52.1   
1 1 1 23 1  9  o 4.281000       3.170000      329.7590      1.1    
1 1 1 23 1  10 o 4.544000       3.934000      305.8198      125.6  
1 1 1 23 1  11 o 2.182000       1.500000      178.5054      -9.6   
1 1 1 23 1  12 o 2.774000       1.332000      305.1636      162.7  
1 1 1 23 1  13 o -0.3144000     1.110000      51.78583      50.6   
1 1 1 23 1  14 o 2.944000       1.122000      192.6168      -65.4  
1 1 1 23 1  15 o 3.106000       1.020000      218.3437      116.5  
1 1 1 23 1  16 o 3.364000       1.027000      270.5759      -6.5   
1 1 1 23 1  17 o 5.858000       1.052000      249.2934      169.6  
1 1 1 23 1  18 o 0.5867000      1.054000      208.9786      90.7   
1 1 1 23 1  19 o 0.9666000      1.024000      324.9051      -87.1  
1 1 1 23 1  20 o -0.1638000E-01 1.002000      115.9764      -26.2  
1 1 1 23 1  21 o -2.143000      1.006000      52.12078      -155.3 
1 1 1 23 1  22 o 1.765000       1.022000      201.3411      151.2  
1 1 1 23 1  23 o 3.404000       1.019000      190.8655      43.3   
1 1 1 23 1  24 o -2.115000      1.074000      219.2089      26.7   
1 1 1 23 1  25 o 0.2551000      0.9993000     188.1814      116.8  
1 1 1 23 1  26 o -0.4884000     0.9800000     7.144758      -104.0 
1 1 1 23 1  27 o 1.605000       0.9875000     84.17078      12.1   
1 1 1 23 1  28 o -0.5177000     0.9941000     131.4529      -51.0  
1 1 1 23 1  29 o 1.516000       1.000000      120.8539      -89.7  
1 1 1 23 1  30 o -1.735000      0.9862000     32.88348      141.1  
1 1 1 23 1  31 o 0.7746000      0.9896000     130.4236      -29.3  
1 1 1 23 1  32 o 0.9294000      1.011000      87.34711      -124.2 
1 1 1 23 1  33 o 3.252000       1.031000      248.7849      77.5   
1 1 1 23 1  34 o -1.880000      1.011000      134.0863      173.7  
1 1 1 23 1  35 o 0.8909000      1.023000      84.54810      3.6    
1 1 1 23 1  36 o -0.9088000E-02 1.113000      257.0321      -168.3 
1 1 1 23 1  37 o -0.9221000     1.410000      91.72547      -69.6  
1 1 1 23 1  38 o 0.1787000      1.869000      126.5342      -146.1 
1 1 1 23 1  39 o -4.719000      2.061000      37.70073      -136.7 
1 1 1 23 1  40 o -0.9011000     1.612000      35.42787      -148.0 
1 1 1 23 1  41 o 1.130000       1.416000      241.1994      10.6   
1 1 1 23 1  42 o -1.000000      1.281000      114.8969      69.7   
1 1 1 23 1  43 o 0.1171000      1.291000      96.29899      177.2  
1 1 1 23 1  44 o 2.171000       1.228000      124.6360      52.7   
1 1 1 23 1  45 o 0.5955000      1.364000      64.24799      -19.5  
1 1 1 23 1  46 o -0.1913000     1.388000      50.30393      -101.7 
1 1 1 23 1  47 o 0.6793000      1.329000      101.6955      -64.4  
1 1 1 23 1  48 o -0.6074000     1.500000      139.6081      170.8  
1 1 1 23 1  49 o 1.642000       1.535000      118.9913      107.2  
1 1 1 23 1  50 o 2.689000       1.441000      145.2944      113.1  
1 1 1 23 1  51 o -2.711000      1.536000      45.60604      -11.2  
1 1 1 23 1  52 o -2.625000      1.429000      103.5898      -165.9 
1 1 1 23 1  53 o 2.076000       1.556000      53.54037      -65.5  
1 1 1 23 1  54 o -0.8817000     1.507000      ?             ?      
1 1 1 23 1  55 o 0.8829000      1.485000      ?             ?      
1 1 1 23 1  56 o -1.583000      2.110000      ?             ?      
1 1 1 23 1  57 o 0.8604000      1.815000      ?             ?      
1 1 1 23 1  58 o -0.5865000E-02 1.981000      ?             ?      
1 1 1 23 1  59 o -2.141000      1.389000      ?             ?      
1 1 1 23 1  60 o 2.609000       1.296000      ?             ?      
1 1 1 23 1  61 o -0.3637000     1.261000      ?             ?      
1 1 1 23 1  62 o 0.7390000      1.271000      ?             ?      
1 1 1 23 1  63 o -0.6175000     1.259000      ?             ?      
1 1 1 23 1  64 o -0.2822000     1.263000      ?             ?      
1 1 1 23 1  65 o -2.208000      1.268000      ?             ?      
1 1 1 23 1  66 o -0.3025000     1.290000      ?             ?      
1 1 1 23 1  67 o -0.1268000E-01 1.334000      ?             ?      
1 1 1 23 1  68 o -1.229000      1.863000      ?             ?      
1 1 1 23 1  69 o -0.4574000     1.334000      ?             ?      
1 1 1 23 1  70 o -0.7052000     1.488000      ?             ?      
1 1 1 23 2  0  o 6.562000       2.683000      306.8000      90.0   
1 1 1 23 2  1  o 5.964000       1.907000      52.83278      164.4  
1 1 1 23 2  2  o 1.587000       2.632000      137.5221      -109.6 
1 1 1 23 2  3  o 14.74000       2.990000      580.4171      143.6  
1 1 1 23 2  4  o 5.465000       1.658000      364.3047      127.4  
1 1 1 23 2  5  o 6.974000       1.889000      366.2226      178.1  
1 1 1 23 2  6  o 2.661000       1.817000      258.7110      170.7  
1 1 1 23 2  7  o -0.8700000E-01 2.742000      123.9480      139.9  
1 1 1 23 2  8  o -1.201000      2.813000      69.91489      -129.6 
1 1 1 23 2  9  o -0.7955000     2.193000      216.5600      162.6  
1 1 1 23 2  10 o 0.9910000      2.179000      216.5154      71.4   
1 1 1 23 2  11 o 1.110000       2.110000      174.6637      168.0  
1 1 1 23 2  12 o 1.056000       1.344000      241.3334      -128.3 
1 1 1 23 2  13 o 0.4150000      1.109000      134.8056      -10.9  
1 1 1 23 2  14 o 0.8362000      1.150000      174.7636      -8.1   
1 1 1 23 2  15 o 0.7431000      1.029000      148.0692      -44.6  
1 1 1 23 2  16 f 0.7616000      1.038000      534.8373      -72.0  
1 1 1 23 2  17 o 3.126000       1.048000      427.3339      -108.7 
1 1 1 23 2  18 o 7.571000       1.068000      601.5947      -5.3   
1 1 1 23 2  19 o 3.451000       1.039000      294.4320      16.1   
1 1 1 23 2  20 o 1.397000       1.003000      180.9180      -107.9 
1 1 1 23 2  21 o 7.559000       1.064000      525.8851      -86.8  
1 1 1 23 2  22 o -0.9910000     1.011000      72.71307      66.9   
1 1 1 23 2  23 o -0.1660000     1.006000      203.3050      -154.1 
1 1 1 23 2  24 o -0.9526000     0.9986000     144.6655      -165.5 
1 1 1 23 2  25 o 0.4995000      1.004000      189.6879      125.2  
1 1 1 23 2  26 o 1.181000       0.9994000     150.9969      147.5  
1 1 1 23 2  27 o 1.176000       1.001000      396.3665      115.0  
1 1 1 23 2  28 o 0.3589000      1.005000      63.09505      88.0   
1 1 1 23 2  29 o -0.9690000     0.9913000     44.10183      -33.1  
1 1 1 23 2  30 o 0.2141000      1.003000      120.1160      173.8  
1 1 1 23 2  31 o -0.3553000     0.9994000     184.7484      118.3  
1 1 1 23 2  32 o 0.5524000      0.9991000     6.133654      176.1  
1 1 1 23 2  33 o 4.064000       1.055000      303.4777      149.3  
1 1 1 23 2  34 o 0.4745000      1.032000      202.5243      84.0   
1 1 1 23 2  35 o -0.2279000     1.127000      240.6292      -79.7  
1 1 1 23 2  36 o 0.6156000      1.199000      151.9020      97.4   
1 1 1 23 2  37 o 1.277000       1.393000      52.50196      -101.6 
1 1 1 23 2  38 o 0.3500000E-01  1.745000      151.6788      -17.4  
1 1 1 23 2  39 o 1.980000       1.963000      155.6797      141.9  
1 1 1 23 2  40 o 1.454000       1.955000      71.91015      157.1  
1 1 1 23 2  41 o 3.867000       1.330000      283.7842      178.3  
1 1 1 23 2  42 o 2.195000       1.326000      304.4448      65.5   
1 1 1 23 2  43 o 1.683000       1.285000      177.1216      100.4  
1 1 1 23 2  44 o 0.9334000      1.346000      119.2144      -20.6  
1 1 1 23 2  45 o 0.5814000      1.361000      89.41637      -60.6  
1 1 1 23 2  46 o 0.5048000      1.397000      88.30157      70.0   
1 1 1 23 2  47 o -1.285000      1.587000      91.40694      94.0   
1 1 1 23 2  48 f -1.281000      1.495000      259.6060      175.1  
1 1 1 23 2  49 o -1.056000      1.417000      52.99598      27.9   
1 1 1 23 2  50 o 1.731000       1.432000      151.3562      37.8   
1 1 1 23 2  51 o -1.136000      1.422000      122.9602      -121.2 
1 1 1 23 2  52 o 1.721000       1.431000      172.4372      60.8   
1 1 1 23 2  53 f -0.5075000     1.531000      140.7472      -119.8 
1 1 1 23 2  54 o -1.833000      1.473000      ?             ?      
1 1 1 23 2  55 o 0.6484000      1.484000      ?             ?      
1 1 1 23 2  56 o -1.180000      2.145000      ?             ?      
1 1 1 23 2  57 o -3.512000      1.876000      ?             ?      
1 1 1 23 2  58 o 2.365000       1.970000      ?             ?      
1 1 1 23 2  59 o -0.5395000     1.403000      ?             ?      
1 1 1 23 2  60 o -0.4602000     1.395000      ?             ?      
1 1 1 23 2  61 o -0.1578000     1.260000      ?             ?      
1 1 1 23 2  62 o -0.2325000     1.262000      ?             ?      
1 1 1 23 2  63 o 0.3322000      1.276000      ?             ?      
1 1 1 23 2  64 o 1.656000       1.262000      ?             ?      
1 1 1 23 2  65 o 0.7585000      1.262000      ?             ?      
1 1 1 23 2  66 o -0.9721000     1.289000      ?             ?      
1 1 1 23 2  67 o -1.136000      1.324000      ?             ?      
1 1 1 23 2  68 o -0.7343000     1.328000      ?             ?      
1 1 1 23 2  69 o -0.3732000     1.332000      ?             ?      
1 1 1 23 2  70 o -1.222000      1.463000      ?             ?      
1 1 1 23 3  0  o -0.6413000     2.644000      201.1720      -90.0  
1 1 1 23 3  1  o 3.062000       1.899000      376.5947      -128.9 
1 1 1 23 3  2  o 12.13000       1.979000      794.0378      -66.3  
1 1 1 23 3  3  o 1.269000       1.643000      119.1100      101.7  
1 1 1 23 3  4  o 17.60000       2.010000      785.9919      -122.3 
1 1 1 23 3  5  o 0.2851000      1.896000      335.4677      156.8  
1 1 1 23 3  6  o 3.055000       2.753000      297.2620      150.0  
1 1 1 23 3  7  o 1.678000       2.711000      324.8269      87.2   
1 1 1 23 3  8  o 2.804000       1.885000      463.4463      14.0   
1 1 1 23 3  9  o 1.832000       1.776000      225.5970      178.1  
1 1 1 23 3  10 o 4.603000       2.050000      546.5319      115.9  
1 1 1 23 3  11 o 12.26000       2.240000      545.9813      -7.1   
1 1 1 23 3  12 o 2.135000       1.330000      174.8915      -6.1   
1 1 1 23 3  13 o -1.962000      1.127000      157.3926      -129.1 
1 1 1 23 3  14 o 8.213000       1.203000      526.6846      43.6   
1 1 1 23 3  15 o 6.943000       1.203000      179.7607      -179.8 
1 1 1 23 3  16 o 2.833000       1.053000      203.7533      -162.0 
1 1 1 23 3  17 o 14.06000       1.227000      627.0304      85.1   
1 1 1 23 3  18 o 0.8673000      1.013000      188.8840      98.5   
1 1 1 23 3  19 o 4.575000       1.036000      372.8744      100.1  
1 1 1 23 3  20 o 4.049000       1.039000      249.2870      23.9   
1 1 1 23 3  21 o 0.8065000      1.027000      247.8228      -100.6 
1 1 1 23 3  22 o 0.6978000      1.017000      150.8350      -93.7  
1 1 1 23 3  23 o 7.485000       1.067000      579.3481      1.9    
1 1 1 23 3  24 o 8.558000       1.047000      517.6820      -0.6   
1 1 1 23 3  25 o -0.6793000     1.003000      307.6977      141.7  
1 1 1 23 3  26 o 6.780000       1.042000      642.1462      -155.4 
1 1 1 23 3  27 o 4.200000       1.018000      451.6913      -81.6  
1 1 1 23 3  28 o 1.840000       0.9993000     198.7643      -92.8  
1 1 1 23 3  29 o 0.6952000      0.9999000     87.63671      59.9   
1 1 1 23 3  30 o 2.599000       1.008000      203.6309      131.2  
1 1 1 23 3  31 o 0.8738000      1.011000      142.2387      -59.2  
1 1 1 23 3  32 o 6.350000       1.170000      502.2777      -148.4 
1 1 1 23 3  33 o 2.646000       1.142000      319.5795      66.1   
1 1 1 23 3  34 o 1.587000       1.033000      171.0919      28.7   
1 1 1 23 3  35 o 2.888000       1.168000      302.2228      -113.2 
1 1 1 23 3  36 o -0.4547000E-01 1.255000      115.4786      155.7  
1 1 1 23 3  37 o 5.977000       1.365000      314.1927      -13.3  
1 1 1 23 3  38 o -1.907000      1.648000      86.02019      -87.0  
1 1 1 23 3  39 o 2.650000       1.485000      321.3794      -55.1  
1 1 1 23 3  40 o -1.635000      1.440000      106.1697      -115.4 
1 1 1 23 3  41 o -0.1969000     1.564000      245.7796      117.6  
1 1 1 23 3  42 o 5.966000       1.452000      415.9555      -158.4 
1 1 1 23 3  43 o -0.5221000E-01 1.226000      27.41620      -76.2  
1 1 1 23 3  44 o -2.276000      1.300000      40.38278      -30.3  
1 1 1 23 3  45 o 1.384000       1.266000      180.2067      174.7  
1 1 1 23 3  46 o -1.753000      1.406000      192.5112      -148.9 
1 1 1 23 3  47 o 2.001000       1.426000      248.1564      -37.3  
1 1 1 23 3  48 o -0.1803000     1.469000      165.7790      -110.6 
1 1 1 23 3  49 o 0.8020000      1.422000      38.04015      -70.0  
1 1 1 23 3  50 o 1.121000       1.534000      176.7642      108.9  
1 1 1 23 3  51 o 0.5529000      1.428000      211.7363      -143.4 
1 1 1 23 3  52 o 0.7778000      1.406000      98.56892      45.9   
1 1 1 23 3  53 o -2.944000      1.376000      49.42354      -36.6  
1 1 1 23 3  54 o -1.311000      1.465000      ?             ?      
1 1 1 23 3  55 o 5.112000       1.684000      ?             ?      
1 1 1 23 3  56 o 1.908000       1.592000      ?             ?      
1 1 1 23 3  57 o 3.464000       1.575000      ?             ?      
1 1 1 23 3  58 o -2.150000      2.061000      ?             ?      
1 1 1 23 3  59 o 2.124000       1.499000      ?             ?      
1 1 1 23 3  60 o 3.367000       1.385000      ?             ?      
1 1 1 23 3  61 o 0.9836000      1.262000      ?             ?      
1 1 1 23 3  62 o -2.192000      1.264000      ?             ?      
1 1 1 23 3  63 o 0.2843000      1.269000      ?             ?      
1 1 1 23 3  64 o 0.1397000      1.262000      ?             ?      
1 1 1 23 3  65 o 1.239000       1.270000      ?             ?      
1 1 1 23 3  66 o -0.4935000E-01 1.282000      ?             ?      
1 1 1 23 3  67 o -0.8362000     1.280000      ?             ?      
1 1 1 23 3  68 o 0.5771000      1.848000      ?             ?      
1 1 1 23 3  69 o 0.3397000      1.438000      ?             ?      
1 1 1 23 3  70 o -1.073000      1.651000      ?             ?      
1 1 1 23 4  0  o 1.239000       2.616000      406.8683      90.0   
1 1 1 23 4  1  o 25.10000       1.857000      790.2817      -45.0  
1 1 1 23 4  2  o 12.91000       2.044000      686.1978      116.2  
1 1 1 23 4  3  o 9.602000       1.802000      344.8255      57.3   
1 1 1 23 4  4  o 4.176000       1.759000      162.1527      -78.0  
1 1 1 23 4  5  o 42.14000       3.577000      1413.278      -77.8  
1 1 1 23 4  6  o 54.80000       6.081000      1137.638      156.4  
1 1 1 23 4  7  o 1.232000       2.653000      226.6698      161.4  
1 1 1 23 4  8  o 3.393000       1.833000      181.7053      122.1  
1 1 1 23 4  9  o 2.253000       1.734000      301.8275      -42.8  
1 1 1 23 4  10 o 1.028000       1.706000      194.6755      87.0   
1 1 1 23 4  11 o 6.260000       1.315000      258.7773      109.0  
1 1 1 23 4  12 o 8.488000       1.378000      441.7151      -86.9  
1 1 1 23 4  13 o 36.71000       1.689000      1044.417      1.5    
1 1 1 23 4  14 o 44.20000       1.794000      944.0513      -40.0  
1 1 1 23 4  15 o 2.575000       1.179000      285.2549      -167.8 
1 1 1 23 4  16 f 7.238000       1.254000      504.7157      -69.1  
1 1 1 23 4  17 o 11.32000       1.110000      465.7599      -105.5 
1 1 1 23 4  18 o 4.935000       1.040000      458.4648      -18.4  
1 1 1 23 4  19 o 5.842000       1.030000      275.6062      -23.2  
1 1 1 23 4  20 o 6.496000       1.032000      449.1248      -49.8  
1 1 1 23 4  21 o 10.76000       1.075000      571.8489      -86.1  
1 1 1 23 4  22 o 25.54000       1.229000      747.2124      117.2  
1 1 1 23 4  23 o 12.10000       1.079000      360.9329      30.2   
1 1 1 23 4  24 o -0.6672000     0.9950000     54.23372      -122.7 
1 1 1 23 4  25 o 7.254000       1.038000      266.3024      151.5  
1 1 1 23 4  26 o 0.5850000      1.003000      212.6159      155.9  
1 1 1 23 4  27 o 0.5338000E-01  0.9829000     115.5371      23.2   
1 1 1 23 4  28 o 1.402000       1.005000      246.3958      92.4   
1 1 1 23 4  29 o 4.292000       1.045000      281.4299      -153.7 
1 1 1 23 4  30 o 2.959000       1.136000      204.6470      35.8   
1 1 1 23 4  31 o 6.081000       1.158000      266.6632      12.2   
1 1 1 23 4  32 o -0.5259000     1.021000      144.1496      25.3   
1 1 1 23 4  33 o 2.173000       1.127000      198.0191      164.9  
1 1 1 23 4  34 o 0.5915000      1.039000      63.26605      -25.7  
1 1 1 23 4  35 o 4.582000       1.138000      383.5638      96.9   
1 1 1 23 4  36 o -0.8529000     1.275000      87.57996      -5.6   
1 1 1 23 4  37 o -2.305000      1.313000      134.4644      75.6   
1 1 1 23 4  38 o 3.108000       1.326000      299.0162      -7.4   
1 1 1 23 4  39 o 6.795000       1.380000      480.4663      174.2  
1 1 1 23 4  40 o 0.9318000      1.443000      84.23817      134.3  
1 1 1 23 4  41 o 1.868000       1.558000      230.2619      -100.9 
1 1 1 23 4  42 o 20.14000       1.721000      640.5200      44.1   
1 1 1 23 4  43 o 5.235000       1.370000      321.6283      -171.2 
1 1 1 23 4  44 o 1.536000       1.225000      163.5503      -67.4  
1 1 1 23 4  45 o 7.425000       1.332000      380.5906      -9.7   
1 1 1 23 4  46 o 8.989000       1.341000      423.4194      58.8   
1 1 1 23 4  47 o -0.4188000     1.308000      147.1866      6.5    
1 1 1 23 4  48 o 2.060000       1.358000      152.0685      120.8  
1 1 1 23 4  49 o -0.6113000     1.483000      115.1685      90.3   
1 1 1 23 4  50 o 0.1839000      1.495000      93.38329      159.5  
1 1 1 23 4  51 o 1.863000       1.421000      88.77233      -117.9 
1 1 1 23 4  52 o 0.2961000      1.488000      95.98721      6.7    
1 1 1 23 4  53 o 2.308000       1.477000      94.71687      -179.8 
1 1 1 23 4  54 o 2.922000       1.481000      ?             ?      
1 1 1 23 4  55 o 2.287000       1.550000      ?             ?      
1 1 1 23 4  56 o 2.234000       1.599000      ?             ?      
1 1 1 23 4  57 o 1.213000       1.653000      ?             ?      
1 1 1 23 4  58 o -1.366000      1.655000      ?             ?      
1 1 1 23 4  59 o -1.095000      1.523000      ?             ?      
1 1 1 23 4  60 o 2.549000       1.491000      ?             ?      
1 1 1 23 4  61 o 0.1221000      1.275000      ?             ?      
1 1 1 23 4  62 o 0.1606000      1.241000      ?             ?      
1 1 1 23 4  63 o 3.110000       1.266000      ?             ?      
1 1 1 23 4  64 o 2.447000       1.276000      ?             ?      
1 1 1 23 4  65 o 2.352000       1.286000      ?             ?      
1 1 1 23 4  66 o 1.331000       1.280000      ?             ?      
1 1 1 23 4  67 o 1.059000       1.295000      ?             ?      
1 1 1 23 4  68 o 0.5518000      1.314000      ?             ?      
1 1 1 23 4  69 o 1.419000       1.460000      ?             ?      
1 1 1 23 4  70 o -1.015000      1.535000      ?             ?      
1 1 1 23 5  0  o 43.14000       3.356000      488.9701      90.0   
1 1 1 23 5  1  o -0.9508000     1.984000      461.4639      -143.9 
1 1 1 23 5  2  o 8.139000       1.868000      192.4885      -36.0  
1 1 1 23 5  3  o 57.25000       2.936000      1119.621      88.6   
1 1 1 23 5  4  o -0.4382000     1.809000      117.4055      16.6   
1 1 1 23 5  5  o 15.71000       2.100000      796.9062      -102.9 
1 1 1 23 5  6  o 105.1000       8.100000      1201.061      45.7   
1 1 1 23 5  7  o 21.48000       2.911000      898.7228      73.7   
1 1 1 23 5  8  o 20.67000       1.939000      917.4653      -58.6  
1 1 1 23 5  9  o 9.192000       1.771000      326.5151      -79.0  
1 1 1 23 5  10 o 35.68000       2.112000      969.5901      34.9   
1 1 1 23 5  11 o 0.8163000      1.196000      204.6971      -66.2  
1 1 1 23 5  12 o 15.94000       1.481000      555.0022      -2.6   
1 1 1 23 5  13 o 13.55000       1.489000      267.2128      105.9  
1 1 1 23 5  14 o 26.94000       1.521000      663.8849      122.5  
1 1 1 23 5  15 o 21.81000       1.355000      851.8832      -118.5 
1 1 1 23 5  16 o 30.71000       1.553000      984.3568      -16.9  
1 1 1 23 5  17 o 9.133000       1.090000      468.5457      24.4   
1 1 1 23 5  18 o 32.10000       1.541000      903.0310      126.5  
1 1 1 23 5  19 o 72.60000       2.206000      1278.282      64.0   
1 1 1 23 5  20 o 0.6620000E-01  1.022000      249.6719      -30.0  
1 1 1 23 5  21 o 2.139000       1.004000      187.7664      -43.5  
1 1 1 23 5  22 o 4.317000       1.031000      379.6459      -18.6  
1 1 1 23 5  23 o 13.03000       1.074000      574.9474      31.7   
1 1 1 23 5  24 o 4.635000       1.088000      199.5025      -61.6  
1 1 1 23 5  25 o 9.703000       1.053000      297.1996      158.0  
1 1 1 23 5  26 o 8.404000       1.030000      353.1400      -124.7 
1 1 1 23 5  27 o 0.6191000      1.117000      124.5246      -20.2  
1 1 1 23 5  28 o 8.520000       1.173000      417.3781      16.0   
1 1 1 23 5  29 o 24.71000       1.245000      800.4894      -135.9 
1 1 1 23 5  30 o 15.34000       1.225000      459.3519      50.0   
1 1 1 23 5  31 o 0.2561000      1.097000      153.4306      96.8   
1 1 1 23 5  32 o 7.988000       1.064000      349.4441      150.9  
1 1 1 23 5  33 o 14.22000       1.125000      496.6361      71.1   
1 1 1 23 5  34 o 2.272000       1.038000      178.7894      72.4   
1 1 1 23 5  35 o 4.051000       1.137000      378.0006      -174.2 
1 1 1 23 5  36 o 2.855000       1.455000      300.4696      154.7  
1 1 1 23 5  37 o 6.267000       1.520000      321.7411      -8.3   
1 1 1 23 5  38 o -1.895000      1.168000      173.9590      111.2  
1 1 1 23 5  39 o 5.386000       1.234000      361.5814      -45.1  
1 1 1 23 5  40 o 16.05000       1.460000      582.2981      -172.3 
1 1 1 23 5  41 o 2.570000       1.497000      118.7059      -149.5 
1 1 1 23 5  42 o 3.398000       1.452000      245.6994      -25.2  
1 1 1 23 5  43 o 3.687000       1.369000      339.2991      86.0   
1 1 1 23 5  44 o 4.275000       1.276000      264.4664      -145.3 
1 1 1 23 5  45 o 32.01000       1.565000      742.7504      -158.2 
1 1 1 23 5  46 o 1.571000       1.291000      190.3156      108.9  
1 1 1 23 5  47 o 3.637000       1.307000      121.0696      -125.8 
1 1 1 23 5  48 o -0.5366000     1.331000      42.03889      -127.6 
1 1 1 23 5  49 o 0.5245000      1.374000      181.0611      -59.3  
1 1 1 23 5  50 o -0.3770000E-01 1.403000      181.8365      -134.2 
1 1 1 23 5  51 o 2.355000       1.400000      294.2390      -96.4  
1 1 1 23 5  52 o 7.612000       1.524000      510.9242      27.6   
1 1 1 23 5  53 o -0.4557000     1.479000      163.0253      152.2  
1 1 1 23 5  54 o 0.2857000      1.530000      ?             ?      
1 1 1 23 5  55 o 5.236000       1.576000      ?             ?      
1 1 1 23 5  56 o 1.265000       1.397000      ?             ?      
1 1 1 23 5  57 o 1.857000       1.416000      ?             ?      
1 1 1 23 5  58 o 0.3953000      1.413000      ?             ?      
1 1 1 23 5  59 o 2.542000       1.542000      ?             ?      
1 1 1 23 5  60 o -1.545000      1.551000      ?             ?      
1 1 1 23 5  61 o 1.237000       1.462000      ?             ?      
1 1 1 23 5  62 o -0.8678000     1.374000      ?             ?      
1 1 1 23 5  63 o 0.1742000      1.371000      ?             ?      
1 1 1 23 5  64 o 3.836000       1.295000      ?             ?      
1 1 1 23 5  65 o 1.804000       1.273000      ?             ?      
1 1 1 23 5  66 o 2.374000       1.303000      ?             ?      
1 1 1 23 5  67 o 1.401000       1.289000      ?             ?      
1 1 1 23 5  68 o 0.1709000      1.430000      ?             ?      
1 1 1 23 5  69 o 1.370000       1.472000      ?             ?      
1 1 1 23 5  70 o 1.653000       1.566000      ?             ?      
1 1 1 23 6  0  o 10.11000       2.353000      284.3612      -90.0  
1 1 1 23 6  1  o 142.3000       5.511000      1593.775      94.1   
1 1 1 23 6  2  o 48.01000       2.763000      1071.602      -172.1 
1 1 1 23 6  3  o 26.74000       2.257000      1056.201      -46.4  
1 1 1 23 6  4  o 20.43000       2.147000      1166.802      115.1  
1 1 1 23 6  5  o 14.94000       3.683000      318.7439      84.5   
1 1 1 23 6  6  o 75.81000       5.373000      1315.863      90.9   
1 1 1 23 6  7  o 176.6000       7.801000      1837.795      14.0   
1 1 1 23 6  8  o 5.398000       1.804000      123.9063      150.2  
1 1 1 23 6  9  o 26.37000       2.061000      744.1202      42.7   
1 1 1 23 6  10 o 94.34000       3.149000      1289.806      24.2   
1 1 1 23 6  11 o 33.21000       1.702000      752.7364      138.2  
1 1 1 23 6  12 o 56.29000       2.198000      1141.348      -42.1  
1 1 1 23 6  13 o 299.4000       8.662000      2287.799      -0.7   
1 1 1 23 6  14 o 10.63000       1.378000      468.5241      -132.8 
1 1 1 23 6  15 o 22.46000       1.374000      571.5345      87.2   
1 1 1 23 6  16 o 10.41000       1.287000      654.0479      -12.0  
1 1 1 23 6  17 o 23.06000       1.382000      655.6470      -117.2 
1 1 1 23 6  18 o 30.47000       1.547000      522.4667      -35.0  
1 1 1 23 6  19 o 3.231000       1.038000      560.3865      -118.9 
1 1 1 23 6  20 o 32.50000       1.460000      851.1339      -179.7 
1 1 1 23 6  21 o 16.36000       1.101000      605.7253      -16.1  
1 1 1 23 6  22 o 13.58000       1.090000      597.7275      71.4   
1 1 1 23 6  23 o 4.649000       1.019000      330.7704      -15.5  
1 1 1 23 6  24 o 18.94000       1.131000      721.8834      -177.1 
1 1 1 23 6  25 o 32.93000       1.433000      663.8358      131.9  
1 1 1 23 6  26 o 13.67000       1.188000      513.9113      124.3  
1 1 1 23 6  27 o 21.63000       1.169000      825.0131      -59.2  
1 1 1 23 6  28 o 9.317000       1.264000      453.9403      161.6  
1 1 1 23 6  29 o 9.137000       1.108000      277.1306      163.7  
1 1 1 23 6  30 o 9.704000       1.080000      357.6070      -34.5  
1 1 1 23 6  31 o 2.490000       1.003000      95.48412      164.4  
1 1 1 23 6  32 o 10.06000       1.070000      412.0413      112.2  
1 1 1 23 6  33 o 6.052000       1.060000      476.3683      -165.5 
1 1 1 23 6  34 o 5.868000       1.242000      218.0055      -128.5 
1 1 1 23 6  35 o 16.96000       1.348000      673.5410      125.6  
1 1 1 23 6  36 o 4.242000       1.640000      291.0501      -117.4 
1 1 1 23 6  37 o 5.226000       1.408000      370.0865      103.4  
1 1 1 23 6  38 o 1.914000       1.091000      144.1131      23.7   
1 1 1 23 6  39 o 5.272000       1.215000      280.4596      -108.4 
1 1 1 23 6  40 o 5.575000       1.345000      386.7047      75.1   
1 1 1 23 6  41 o 6.152000       1.524000      342.6664      -118.4 
1 1 1 23 6  42 o 22.90000       1.570000      798.4410      97.5   
1 1 1 23 6  43 o 4.159000       1.366000      210.2018      -98.1  
1 1 1 23 6  44 o 20.13000       1.533000      670.3263      -36.2  
1 1 1 23 6  45 o 3.131000       1.269000      104.8518      -53.5  
1 1 1 23 6  46 o 1.951000       1.267000      183.3772      -52.3  
1 1 1 23 6  47 o -1.019000      1.298000      124.1637      -69.3  
1 1 1 23 6  48 o 5.616000       1.360000      282.9420      -28.2  
1 1 1 23 6  49 o 1.501000       1.384000      269.4985      93.1   
1 1 1 23 6  50 o 27.48000       1.646000      802.6387      43.2   
1 1 1 23 6  51 o 1.060000       1.395000      123.9056      156.8  
1 1 1 23 6  52 o 3.881000       1.392000      300.6119      -143.3 
1 1 1 23 6  53 o 7.933000       1.505000      ?             ?      
1 1 1 23 6  54 o 2.778000       1.793000      ?             ?      
1 1 1 23 6  55 o 4.336000       1.605000      ?             ?      
1 1 1 23 6  56 o -1.501000      1.375000      ?             ?      
1 1 1 23 6  57 o 3.872000       1.396000      ?             ?      
1 1 1 23 6  58 o 0.6247000      1.413000      ?             ?      
1 1 1 23 6  59 o 2.064000       1.387000      ?             ?      
1 1 1 23 6  60 o 4.145000       1.545000      ?             ?      
1 1 1 23 6  61 o 4.344000       1.390000      ?             ?      
1 1 1 23 6  62 o 2.146000       1.346000      ?             ?      
1 1 1 23 6  63 o 3.788000       1.341000      ?             ?      
1 1 1 23 6  64 o 0.7663000      1.374000      ?             ?      
1 1 1 23 6  65 o -0.8583000     1.401000      ?             ?      
1 1 1 23 6  66 o 1.767000       1.290000      ?             ?      
1 1 1 23 6  67 o -0.5157000     1.290000      ?             ?      
1 1 1 23 6  68 o 2.682000       1.443000      ?             ?      
1 1 1 23 6  69 o 0.3872000      1.548000      ?             ?      
1 1 1 23 6  70 o -1.780000      1.628000      ?             ?      
1 1 1 23 7  0  o 1.322000       2.311000      516.9350      90.0   
1 1 1 23 7  1  o 58.04000       4.920000      1090.235      -88.0  
1 1 1 23 7  2  o 18.89000       2.110000      805.8237      150.5  
1 1 1 23 7  3  o 42.23000       2.855000      981.6166      96.4   
1 1 1 23 7  4  o 0.6946000      1.764000      120.5657      164.7  
1 1 1 23 7  5  o 44.24000       3.948000      1152.284      154.3  
1 1 1 23 7  6  o 77.51000       5.315000      1564.130      76.6   
1 1 1 23 7  7  o 41.63000       3.662000      901.3525      108.8  
1 1 1 23 7  8  o 105.9000       3.859000      1099.465      73.9   
1 1 1 23 7  9  o 48.17000       2.047000      926.1544      -92.1  
1 1 1 23 7  10 o 29.16000       1.522000      589.4332      158.8  
1 1 1 23 7  11 o 156.2000       3.809000      1508.947      97.6   
1 1 1 23 7  12 o 5.666000       1.249000      656.3676      25.1   
1 1 1 23 7  13 o 8.521000       1.485000      503.7935      128.9  
1 1 1 23 7  14 o 112.7000       3.190000      1488.655      129.4  
1 1 1 23 7  15 o 29.98000       1.773000      831.3161      -31.5  
1 1 1 23 7  16 o 46.22000       2.022000      1413.706      -13.5  
1 1 1 23 7  17 o 54.29000       1.846000      1009.184      103.5  
1 1 1 23 7  18 o 73.13000       2.144000      1179.749      4.8    
1 1 1 23 7  19 o 113.3000       2.988000      1678.221      38.7   
1 1 1 23 7  20 o 8.870000       1.061000      413.4210      -6.4   
1 1 1 23 7  21 o 42.99000       1.417000      998.9574      -70.4  
1 1 1 23 7  22 o 16.02000       1.235000      520.3166      112.0  
1 1 1 23 7  23 o 22.59000       1.306000      748.8220      53.3   
1 1 1 23 7  24 o 17.97000       1.141000      369.0174      -26.9  
1 1 1 23 7  25 o 23.17000       1.259000      719.2924      -69.1  
1 1 1 23 7  26 o 14.12000       1.180000      536.1002      109.6  
1 1 1 23 7  27 o 21.99000       1.173000      540.9828      -85.7  
1 1 1 23 7  28 o 54.62000       1.647000      1075.119      -0.2   
1 1 1 23 7  29 o 71.40000       2.071000      1348.598      -146.3 
1 1 1 23 7  30 o 34.61000       1.345000      807.9399      62.2   
1 1 1 23 7  31 o 10.01000       1.142000      542.4682      21.6   
1 1 1 23 7  32 o 16.56000       1.201000      466.0316      -54.6  
1 1 1 23 7  33 o 19.01000       1.167000      732.5856      -116.3 
1 1 1 23 7  34 o 7.601000       1.212000      366.4972      -11.5  
1 1 1 23 7  35 o 2.031000       1.302000      167.9275      -88.5  
1 1 1 23 7  36 o 20.76000       1.510000      554.6732      105.5  
1 1 1 23 7  37 o 4.359000       1.186000      150.1495      45.4   
1 1 1 23 7  38 o 3.103000       1.085000      359.3748      57.0   
1 1 1 23 7  39 o 5.617000       1.220000      321.1584      -81.0  
1 1 1 23 7  40 o 8.796000       1.274000      448.4695      -146.2 
1 1 1 23 7  41 f 5.537000       1.322000      335.4894      -54.2  
1 1 1 23 7  42 o 7.311000       1.599000      372.0817      46.3   
1 1 1 23 7  43 o 19.56000       1.621000      604.1161      -171.7 
1 1 1 23 7  44 o 2.425000       1.355000      211.3600      165.9  
1 1 1 23 7  45 o 9.312000       1.317000      462.6310      -110.8 
1 1 1 23 7  46 o 6.964000       1.310000      439.7352      69.1   
1 1 1 23 7  47 o 25.59000       1.509000      797.7563      72.7   
1 1 1 23 7  48 o 2.967000       1.359000      363.4807      167.2  
1 1 1 23 7  49 o 7.456000       1.420000      294.9875      -126.9 
1 1 1 23 7  50 o 5.861000       1.426000      371.2000      -144.1 
1 1 1 23 7  51 o 1.143000       1.374000      156.5632      31.8   
1 1 1 23 7  52 o -1.358000      1.356000      114.0606      -37.5  
1 1 1 23 7  53 o 4.900000       1.552000      ?             ?      
1 1 1 23 7  54 o 1.841000       1.510000      ?             ?      
1 1 1 23 7  55 o 0.6370000      1.389000      ?             ?      
1 1 1 23 7  56 o 3.429000       1.391000      ?             ?      
1 1 1 23 7  57 o 6.919000       1.410000      ?             ?      
1 1 1 23 7  58 o 4.514000       1.431000      ?             ?      
1 1 1 23 7  59 o 4.785000       1.709000      ?             ?      
1 1 1 23 7  60 o 3.498000       1.528000      ?             ?      
1 1 1 23 7  61 o 0.9252000E-01  1.439000      ?             ?      
1 1 1 23 7  62 o 0.4718000      1.348000      ?             ?      
1 1 1 23 7  63 o -2.339000      1.247000      ?             ?      
1 1 1 23 7  64 o 0.4448000      1.344000      ?             ?      
1 1 1 23 7  65 o 0.8906000      1.343000      ?             ?      
1 1 1 23 7  66 o -0.3158000     1.288000      ?             ?      
1 1 1 23 7  67 o 0.5032000      1.404000      ?             ?      
1 1 1 23 7  68 o 1.920000       1.434000      ?             ?      
1 1 1 23 7  69 o -1.100000      1.504000      ?             ?      
1 1 1 23 7  70 o 1.490000       2.183000      ?             ?      
1 1 1 23 8  0  o 29.03000       4.173000      833.8962      -90.0  
1 1 1 23 8  1  o 120.9000       7.866000      1819.654      141.3  
1 1 1 23 8  2  o 39.50000       2.498000      886.9185      -74.3  
1 1 1 23 8  3  o 55.83000       2.570000      849.3232      -38.0  
1 1 1 23 8  4  o 104.1000       5.645000      1487.417      126.4  
1 1 1 23 8  5  o 57.50000       2.584000      1160.371      110.5  
1 1 1 23 8  6  o 33.71000       2.699000      1323.954      8.0    
1 1 1 23 8  7  o 40.89000       3.800000      788.4614      116.8  
1 1 1 23 8  8  o 42.01000       2.600000      509.6806      -8.6   
1 1 1 23 8  9  o 31.71000       1.754000      845.2433      31.7   
1 1 1 23 8  10 o 82.64000       2.444000      1258.501      36.7   
1 1 1 23 8  11 o 26.94000       1.586000      612.5654      130.8  
1 1 1 23 8  12 o 42.69000       1.781000      980.2760      -88.7  
1 1 1 23 8  13 o 0.7080000      1.244000      245.7167      -79.1  
1 1 1 23 8  14 o 32.75000       1.826000      897.7503      167.3  
1 1 1 23 8  15 o 5.171000       1.351000      538.5433      -102.9 
1 1 1 23 8  16 o 18.64000       1.351000      507.5977      -134.1 
1 1 1 23 8  17 o 69.41000       2.205000      1080.032      35.9   
1 1 1 23 8  18 o 61.71000       2.320000      1207.881      -172.5 
1 1 1 23 8  19 o 40.69000       1.614000      905.4851      122.9  
1 1 1 23 8  20 o 1.924000       1.156000      152.1422      123.5  
1 1 1 23 8  21 o 0.7845000      1.152000      403.8853      -56.5  
1 1 1 23 8  22 o 9.970000       1.093000      494.2627      168.3  
1 1 1 23 8  23 o 29.98000       1.384000      481.1560      91.3   
1 1 1 23 8  24 o 26.91000       1.250000      657.8121      122.1  
1 1 1 23 8  25 o 22.74000       1.186000      521.6255      2.0    
1 1 1 23 8  26 o 46.16000       1.492000      976.5706      -14.7  
1 1 1 23 8  27 o 29.62000       1.268000      695.6799      -127.2 
1 1 1 23 8  28 o 18.44000       1.162000      504.5032      -4.9   
1 1 1 23 8  29 o 2.642000       1.116000      335.5833      -140.6 
1 1 1 23 8  30 o 3.099000       1.027000      169.4028      -10.6  
1 1 1 23 8  31 o 5.404000       1.118000      270.4992      83.8   
1 1 1 23 8  32 o 7.572000       1.137000      608.6230      -38.8  
1 1 1 23 8  33 o -0.1574000     1.009000      86.40106      -77.8  
1 1 1 23 8  34 o 15.41000       1.261000      580.5491      133.4  
1 1 1 23 8  35 o 4.946000       1.356000      223.7638      171.7  
1 1 1 23 8  36 o 2.301000       1.208000      207.4409      12.9   
1 1 1 23 8  37 o 39.33000       1.597000      876.5236      129.0  
1 1 1 23 8  38 o 6.277000       1.116000      400.9518      -27.0  
1 1 1 23 8  39 o 6.749000       1.104000      245.2013      -75.1  
1 1 1 23 8  40 o 10.34000       1.295000      459.7096      56.9   
1 1 1 23 8  41 o 46.29000       1.927000      778.1819      -89.9  
1 1 1 23 8  42 o 9.127000       1.570000      435.9366      30.6   
1 1 1 23 8  43 o 5.681000       1.383000      415.3018      -60.6  
1 1 1 23 8  44 o 2.737000       1.381000      396.7065      -47.4  
1 1 1 23 8  45 o 32.73000       1.711000      891.3383      -163.8 
1 1 1 23 8  46 o 0.5079000      1.279000      167.7193      -17.3  
1 1 1 23 8  47 o 1.697000       1.327000      159.3650      -70.1  
1 1 1 23 8  48 o 2.583000       1.353000      106.6827      118.0  
1 1 1 23 8  49 o 1.512000       1.376000      310.2653      133.8  
1 1 1 23 8  50 o 5.069000       1.388000      351.4428      34.5   
1 1 1 23 8  51 o 17.22000       1.475000      567.5173      -141.7 
1 1 1 23 8  52 o -0.4237000     1.427000      69.50425      -65.8  
1 1 1 23 8  53 o 8.045000       1.687000      ?             ?      
1 1 1 23 8  54 o 2.945000       1.591000      ?             ?      
1 1 1 23 8  55 o 2.387000       1.389000      ?             ?      
1 1 1 23 8  56 o 2.835000       1.294000      ?             ?      
1 1 1 23 8  57 o 0.1848000      1.253000      ?             ?      
1 1 1 23 8  58 o 2.157000       1.279000      ?             ?      
1 1 1 23 8  59 o 0.5702000      1.493000      ?             ?      
1 1 1 23 8  60 o 1.818000       1.384000      ?             ?      
1 1 1 23 8  61 o 1.516000       1.410000      ?             ?      
1 1 1 23 8  62 o 1.371000       1.500000      ?             ?      
1 1 1 23 8  63 o -0.6681000     1.262000      ?             ?      
1 1 1 23 8  64 o 6.580000       1.320000      ?             ?      
1 1 1 23 8  65 o -1.069000      1.268000      ?             ?      
1 1 1 23 8  66 o 0.7785000      1.296000      ?             ?      
1 1 1 23 8  67 o 1.038000       1.466000      ?             ?      
1 1 1 23 8  68 o 2.440000       1.598000      ?             ?      
1 1 1 23 8  69 o 1.334000       2.360000      ?             ?      
1 1 1 23 9  0  o 725.6000       29.49000      3100.066      -90.0  
1 1 1 23 9  1  o 169.2000       10.33000      1414.271      23.6   
1 1 1 23 9  2  o 18.28000       1.982000      742.4232      -151.6 
1 1 1 23 9  3  o 20.70000       1.913000      1012.028      167.5  
1 1 1 23 9  4  o 59.47000       3.901000      1389.175      -55.9  
1 1 1 23 9  5  o 42.12000       2.197000      1264.091      145.6  
1 1 1 23 9  6  o 62.28000       2.509000      1007.200      -108.6 
1 1 1 23 9  7  o 103.4000       3.909000      1279.922      74.9   
1 1 1 23 9  8  o 22.12000       1.724000      1028.698      87.7   
1 1 1 23 9  9  o 2.062000       1.332000      567.9716      120.7  
1 1 1 23 9  10 o 22.49000       1.396000      790.5669      -117.6 
1 1 1 23 9  11 o 94.26000       2.557000      1224.130      52.3   
1 1 1 23 9  12 o 5.854000       1.302000      226.5219      21.1   
1 1 1 23 9  13 o 83.74000       3.555000      1352.503      -51.9  
1 1 1 23 9  14 o 4.168000       1.201000      580.5735      73.5   
1 1 1 23 9  15 o 35.36000       1.882000      826.9249      122.6  
1 1 1 23 9  16 o -0.9056000     1.304000      282.3271      18.1   
1 1 1 23 9  17 o 95.54000       2.575000      1217.551      -48.2  
1 1 1 23 9  18 o 132.4000       3.816000      1577.280      -8.2   
1 1 1 23 9  19 o 0.3144000      1.240000      179.1353      47.3   
1 1 1 23 9  20 o 0.1766000      1.107000      175.1772      -45.6  
1 1 1 23 9  21 o 14.39000       1.157000      404.3983      -77.1  
1 1 1 23 9  22 o 74.10000       1.890000      1232.846      166.2  
1 1 1 23 9  23 o 55.24000       1.600000      1040.812      38.2   
1 1 1 23 9  24 o 47.42000       1.500000      785.2238      55.0   
1 1 1 23 9  25 o 8.956000       1.046000      565.1785      130.5  
1 1 1 23 9  26 o 28.56000       1.352000      657.9527      80.6   
1 1 1 23 9  27 o 64.89000       1.938000      1156.400      -27.2  
1 1 1 23 9  28 o 4.629000       1.057000      264.4073      23.2   
1 1 1 23 9  29 o 71.50000       2.242000      1064.547      -150.4 
1 1 1 23 9  30 o 69.13000       1.900000      1078.180      44.7   
1 1 1 23 9  31 o 6.293000       1.038000      337.2992      42.3   
1 1 1 23 9  32 o 7.742000       1.039000      222.6865      11.0   
1 1 1 23 9  33 o 8.777000       1.129000      463.6975      150.9  
1 1 1 23 9  34 o 51.55000       2.018000      845.7168      36.1   
1 1 1 23 9  35 o 4.336000       1.285000      235.2075      -98.9  
1 1 1 23 9  36 o 39.85000       1.680000      992.3741      -29.3  
1 1 1 23 9  37 o 7.380000       1.139000      445.2198      -123.7 
1 1 1 23 9  38 o 27.53000       1.325000      709.9147      23.5   
1 1 1 23 9  39 o 1.314000       1.092000      231.3652      49.4   
1 1 1 23 9  40 o 17.33000       1.364000      426.0814      -8.4   
1 1 1 23 9  41 o 19.03000       1.525000      601.0294      20.5   
1 1 1 23 9  42 o 3.756000       1.289000      244.8492      -124.0 
1 1 1 23 9  43 o 8.786000       1.572000      269.0325      -165.1 
1 1 1 23 9  44 o 2.482000       1.481000      168.1453      -57.6  
1 1 1 23 9  45 o 5.017000       1.428000      298.4333      -54.7  
1 1 1 23 9  46 o 2.546000       1.305000      391.4000      42.2   
1 1 1 23 9  47 o 12.35000       1.387000      464.4820      100.3  
1 1 1 23 9  48 o 8.345000       1.402000      481.3315      -102.0 
1 1 1 23 9  49 f 18.51000       1.492000      493.1067      -96.4  
1 1 1 23 9  50 o 2.594000       1.366000      158.0421      -12.1  
1 1 1 23 9  51 o 5.101000       1.378000      311.6272      38.5   
1 1 1 23 9  52 o 0.7781000      1.500000      298.8653      -34.7  
1 1 1 23 9  53 o 4.023000       1.548000      ?             ?      
1 1 1 23 9  54 o 3.191000       1.481000      ?             ?      
1 1 1 23 9  55 o 5.371000       1.319000      ?             ?      
1 1 1 23 9  56 o 18.30000       1.417000      ?             ?      
1 1 1 23 9  57 o 1.481000       1.255000      ?             ?      
1 1 1 23 9  58 o 0.8528000      1.246000      ?             ?      
1 1 1 23 9  59 o 5.334000       1.426000      ?             ?      
1 1 1 23 9  60 o 2.816000       1.380000      ?             ?      
1 1 1 23 9  61 o 3.313000       1.881000      ?             ?      
1 1 1 23 9  62 o 0.1537000E-01  1.605000      ?             ?      
1 1 1 23 9  63 o 0.8435000      1.503000      ?             ?      
1 1 1 23 9  64 o 1.805000       1.347000      ?             ?      
1 1 1 23 9  65 o -1.310000      1.260000      ?             ?      
1 1 1 23 9  66 o 4.515000       1.330000      ?             ?      
1 1 1 23 9  67 o 2.787000       1.435000      ?             ?      
1 1 1 23 9  68 o -0.7049000     1.508000      ?             ?      
1 1 1 23 9  69 o 2.375000       1.530000      ?             ?      
1 1 1 23 10 1  o 244.4000       11.04000      2323.571      67.4   
1 1 1 23 10 2  o 2.889000       1.844000      303.6301      10.9   
1 1 1 23 10 3  o 4.589000       1.412000      227.1623      15.2   
1 1 1 23 10 4  o 25.10000       1.644000      639.8421      -106.9 
1 1 1 23 10 5  o 460.5000       13.23000      2725.186      50.8   
1 1 1 23 10 6  o 55.70000       3.865000      898.3408      124.7  
1 1 1 23 10 7  o 67.18000       2.984000      1097.189      99.1   
1 1 1 23 10 8  o 89.42000       2.644000      1137.840      11.7   
1 1 1 23 10 9  o 123.6000       3.844000      1713.893      110.5  
1 1 1 23 10 10 o 1.041000       1.266000      135.5594      66.2   
1 1 1 23 10 11 o 6.678000       1.347000      485.6251      101.9  
1 1 1 23 10 12 o 23.52000       1.475000      669.7094      49.1   
1 1 1 23 10 13 o 55.00000       1.994000      929.2109      -132.1 
1 1 1 23 10 14 o 33.22000       1.530000      944.0604      -41.2  
1 1 1 23 10 15 o 15.96000       1.480000      455.8863      54.5   
1 1 1 23 10 16 o 28.00000       1.545000      639.3914      -22.8  
1 1 1 23 10 17 o 18.25000       1.464000      216.9957      -43.9  
1 1 1 23 10 18 o 36.22000       1.674000      861.3090      154.2  
1 1 1 23 10 19 o 117.5000       3.509000      1652.514      98.0   
1 1 1 23 10 20 o 7.966000       1.231000      599.7216      -50.4  
1 1 1 23 10 21 o 56.35000       1.605000      1077.515      -153.6 
1 1 1 23 10 22 o 34.81000       1.308000      663.2240      122.8  
1 1 1 23 10 23 o 44.38000       1.519000      926.8488      85.6   
1 1 1 23 10 24 o 26.44000       1.262000      706.6542      132.3  
1 1 1 23 10 25 o 51.83000       1.690000      820.5200      -16.0  
1 1 1 23 10 26 o 1.691000       1.100000      235.3553      118.3  
1 1 1 23 10 27 o -0.8930000E-01 1.121000      227.3866      -44.5  
1 1 1 23 10 28 o 95.71000       2.337000      1420.236      -67.7  
1 1 1 23 10 29 o 66.38000       1.842000      1014.020      -170.3 
1 1 1 23 10 30 o 7.131000       1.065000      203.0438      -72.5  
1 1 1 23 10 31 o 13.73000       1.102000      418.4551      172.9  
1 1 1 23 10 32 o 40.81000       1.461000      846.5527      -69.9  
1 1 1 23 10 33 o 90.11000       2.568000      1254.661      83.7   
1 1 1 23 10 34 o 9.605000       1.384000      338.7885      84.3   
1 1 1 23 10 35 f 29.85000       1.494000      655.9847      66.2   
1 1 1 23 10 36 o 14.60000       1.177000      433.5496      65.0   
1 1 1 23 10 37 o 29.97000       1.352000      671.0255      97.3   
1 1 1 23 10 38 o 23.69000       1.274000      634.6744      -85.9  
1 1 1 23 10 39 o 4.866000       1.117000      70.50009      88.7   
1 1 1 23 10 40 o 27.84000       1.402000      807.1954      47.3   
1 1 1 23 10 41 o 18.25000       1.421000      690.9866      -74.3  
1 1 1 23 10 42 o 4.381000       1.378000      350.2930      -48.0  
1 1 1 23 10 43 o 3.620000       1.527000      304.0901      -31.6  
1 1 1 23 10 44 o 26.21000       1.609000      725.6617      -59.0  
1 1 1 23 10 45 o -0.1236000     1.402000      226.0690      -55.1  
1 1 1 23 10 46 o 16.89000       1.531000      480.7533      124.6  
1 1 1 23 10 47 o 5.611000       1.334000      272.3647      52.5   
1 1 1 23 10 48 o 4.231000       1.360000      192.9022      176.6  
1 1 1 23 10 49 o 6.587000       1.388000      176.4787      -103.7 
1 1 1 23 10 50 o 4.295000       1.388000      269.3923      120.5  
1 1 1 23 10 51 o 5.141000       1.470000      381.7170      145.0  
1 1 1 23 10 52 o 13.19000       1.613000      651.2831      -65.2  
1 1 1 23 10 53 f 5.500000       1.594000      ?             ?      
1 1 1 23 10 54 o 4.856000       1.404000      ?             ?      
1 1 1 23 10 55 o 3.204000       1.276000      ?             ?      
1 1 1 23 10 56 o 2.795000       1.268000      ?             ?      
1 1 1 23 10 57 o 7.299000       1.271000      ?             ?      
1 1 1 23 10 58 o 0.1701000      1.230000      ?             ?      
1 1 1 23 10 59 o 4.127000       1.411000      ?             ?      
1 1 1 23 10 60 o 0.8676000      1.467000      ?             ?      
1 1 1 23 10 61 o 6.035000       1.390000      ?             ?      
1 1 1 23 10 62 o -1.216000      1.337000      ?             ?      
1 1 1 23 10 63 o 3.318000       1.487000      ?             ?      
1 1 1 23 10 64 o 6.339000       1.425000      ?             ?      
1 1 1 23 10 65 o 2.905000       1.292000      ?             ?      
1 1 1 23 10 66 o -0.8711000     1.464000      ?             ?      
1 1 1 23 10 67 o 1.601000       2.045000      ?             ?      
1 1 1 23 10 68 o -2.662000      1.596000      ?             ?      
1 1 1 23 10 69 o 1.332000       1.449000      ?             ?      
1 1 1 23 11 0  o 9.531000       3.153000      409.2921      90.0   
1 1 1 23 11 1  o 18.40000       2.437000      889.3873      132.2  
1 1 1 23 11 2  o 56.91000       2.740000      1219.619      -133.2 
1 1 1 23 11 3  o 17.47000       1.552000      262.0691      -81.3  
1 1 1 23 11 4  o 89.31000       3.887000      1131.316      164.8  
1 1 1 23 11 5  o -0.6713000     4.426000      538.2432      -139.3 
1 1 1 23 11 6  o 183.1000       5.792000      1866.122      -158.0 
1 1 1 23 11 7  o 54.20000       2.064000      923.0727      109.6  
1 1 1 23 11 8  o 32.42000       1.646000      817.2721      2.8    
1 1 1 23 11 9  o 59.66000       1.902000      937.4142      -16.7  
1 1 1 23 11 10 o 427.4000       11.88000      2471.122      -112.9 
1 1 1 23 11 11 o 47.90000       1.713000      574.5482      60.8   
1 1 1 23 11 12 o 18.71000       1.564000      593.1901      -68.3  
1 1 1 23 11 13 o 10.84000       1.527000      456.1260      -118.6 
1 1 1 23 11 14 o 6.747000       1.359000      213.8144      123.2  
1 1 1 23 11 15 o 132.8000       3.502000      1433.765      106.2  
1 1 1 23 11 16 o 78.32000       2.407000      1285.674      -43.9  
1 1 1 23 11 17 o 9.113000       1.381000      430.8255      -72.1  
1 1 1 23 11 18 o 12.20000       1.307000      713.3083      178.7  
1 1 1 23 11 19 o 35.87000       1.562000      715.1816      153.9  
1 1 1 23 11 20 o 14.30000       1.303000      593.6114      -123.0 
1 1 1 23 11 21 o 18.45000       1.364000      520.5104      -146.7 
1 1 1 23 11 22 o 0.7932000      1.051000      71.63797      25.5   
1 1 1 23 11 23 o 0.2716000      0.9944000     438.5271      126.0  
1 1 1 23 11 24 o 36.91000       1.430000      916.9597      -83.2  
1 1 1 23 11 25 o 9.764000       1.061000      524.9574      -78.8  
1 1 1 23 11 26 o 18.50000       1.159000      697.7735      24.7   
1 1 1 23 11 27 o 117.3000       2.717000      1540.940      -11.8  
1 1 1 23 11 28 o 2.097000       1.017000      142.1685      -11.2  
1 1 1 23 11 29 o 7.584000       1.045000      300.8543      -21.6  
1 1 1 23 11 30 o 2.438000       1.028000      413.2028      97.3   
1 1 1 23 11 31 o 9.923000       1.070000      353.7390      131.9  
1 1 1 23 11 32 o 39.16000       1.584000      842.1602      156.2  
1 1 1 23 11 33 o 8.951000       1.194000      340.5257      106.3  
1 1 1 23 11 34 o -0.2613000E-01 1.143000      230.9721      175.9  
1 1 1 23 11 35 o 13.01000       1.254000      564.4205      -166.8 
1 1 1 23 11 36 o 8.886000       1.097000      432.8100      -74.2  
1 1 1 23 11 37 o 2.807000       1.173000      217.5285      -171.8 
1 1 1 23 11 38 o 13.08000       1.178000      476.8630      -61.4  
1 1 1 23 11 39 o 0.7196000E-01  1.116000      232.7369      -171.5 
1 1 1 23 11 40 o 13.03000       1.235000      557.3781      18.0   
1 1 1 23 11 41 o 12.48000       1.353000      225.5073      70.7   
1 1 1 23 11 42 o 4.115000       1.370000      202.2706      54.4   
1 1 1 23 11 43 o 28.03000       1.571000      704.7748      35.7   
1 1 1 23 11 44 o -0.1218000     1.395000      118.0784      88.9   
1 1 1 23 11 45 o -0.9620000     1.498000      281.8017      -45.0  
1 1 1 23 11 46 o 3.593000       1.430000      242.6425      102.1  
1 1 1 23 11 47 o 4.588000       1.350000      172.0625      -101.8 
1 1 1 23 11 48 o 0.7294000      1.353000      58.77425      61.9   
1 1 1 23 11 49 o 9.095000       1.430000      387.4499      -112.9 
1 1 1 23 11 50 o 13.52000       1.461000      540.1699      45.4   
1 1 1 23 11 51 o 8.678000       1.578000      462.2616      -38.7  
1 1 1 23 11 52 o 7.813000       1.596000      ?             ?      
1 1 1 23 11 53 o 0.1156000      1.445000      ?             ?      
1 1 1 23 11 54 o 2.686000       1.271000      ?             ?      
1 1 1 23 11 55 o 2.910000       1.253000      ?             ?      
1 1 1 23 11 56 o -0.9618000     1.216000      ?             ?      
1 1 1 23 11 57 o 1.215000       1.225000      ?             ?      
1 1 1 23 11 58 o 4.259000       1.253000      ?             ?      
1 1 1 23 11 59 o 1.539000       1.238000      ?             ?      
1 1 1 23 11 60 o 0.1532000      1.378000      ?             ?      
1 1 1 23 11 61 o -0.3765000     1.353000      ?             ?      
1 1 1 23 11 62 o -0.6403000     1.523000      ?             ?      
1 1 1 23 11 63 o 4.112000       1.487000      ?             ?      
1 1 1 23 11 64 o -0.2980000     1.373000      ?             ?      
1 1 1 23 11 65 o 2.910000       1.310000      ?             ?      
1 1 1 23 11 66 f 1.310000       1.611000      ?             ?      
1 1 1 23 11 67 o 2.283000       1.516000      ?             ?      
1 1 1 23 11 68 o 1.498000       1.614000      ?             ?      
1 1 1 23 11 69 o 2.725000       1.426000      ?             ?      
1 1 1 23 12 0  o 8.358000       3.256000      319.0619      -90.0  
1 1 1 23 12 1  o 136.7000       4.477000      1661.532      78.1   
1 1 1 23 12 2  o 8.495000       1.479000      281.8587      -22.2  
1 1 1 23 12 3  o 8.502000       1.539000      139.1771      -64.3  
1 1 1 23 12 4  o 40.19000       1.983000      902.8229      57.2   
1 1 1 23 12 5  o 1.822000       1.442000      50.89101      12.9   
1 1 1 23 12 6  o 72.46000       2.610000      1234.761      101.7  
1 1 1 23 12 7  o 5.557000       1.405000      102.1988      -88.4  
1 1 1 23 12 8  o 33.13000       1.857000      862.4240      65.3   
1 1 1 23 12 9  o 58.13000       1.913000      735.9383      47.7   
1 1 1 23 12 10 o 4.846000       1.305000      449.9958      -155.4 
1 1 1 23 12 11 o 100.7000       2.850000      1520.469      42.9   
1 1 1 23 12 12 o 101.1000       2.973000      1287.210      -24.8  
1 1 1 23 12 13 o 87.13000       2.663000      1031.416      -53.0  
1 1 1 23 12 14 o 7.659000       1.349000      537.1287      -34.3  
1 1 1 23 12 15 o 40.08000       1.565000      1124.923      81.5   
1 1 1 23 12 16 o 108.7000       3.022000      1564.695      -66.2  
1 1 1 23 12 17 o 64.87000       2.441000      962.3801      -117.6 
1 1 1 23 12 18 o 29.65000       1.732000      742.8418      29.2   
1 1 1 23 12 19 o 3.312000       1.294000      306.9266      -7.4   
1 1 1 23 12 20 o 11.37000       1.294000      379.7872      -31.9  
1 1 1 23 12 21 o 11.17000       1.432000      456.2534      139.4  
1 1 1 23 12 22 o 25.25000       1.298000      532.6214      35.6   
1 1 1 23 12 23 o 53.38000       1.560000      1034.630      66.4   
1 1 1 23 12 24 o 1.688000       0.9909000     124.2284      -27.2  
1 1 1 23 12 25 o 126.3000       2.783000      1863.465      34.5   
1 1 1 23 12 26 o 53.83000       1.635000      857.7686      107.5  
1 1 1 23 12 27 o 2.129000       1.025000      342.5586      68.6   
1 1 1 23 12 28 o 4.884000       1.019000      346.5638      -151.0 
1 1 1 23 12 29 o 5.871000       1.024000      274.6375      -178.1 
1 1 1 23 12 30 o 5.394000       1.033000      247.9306      142.4  
1 1 1 23 12 31 o 54.62000       1.669000      1010.095      -127.7 
1 1 1 23 12 32 o 4.583000       1.155000      444.2844      -68.8  
1 1 1 23 12 33 o 10.44000       1.347000      354.3079      108.0  
1 1 1 23 12 34 o 12.46000       1.225000      278.6940      -83.9  
1 1 1 23 12 35 o 7.767000       1.083000      453.8194      3.1    
1 1 1 23 12 36 o 1.614000       1.047000      33.26681      -15.8  
1 1 1 23 12 37 o 8.194000       1.116000      416.6956      -50.9  
1 1 1 23 12 38 o 16.89000       1.221000      557.3524      -97.6  
1 1 1 23 12 39 o 64.57000       1.917000      1194.102      59.1   
1 1 1 23 12 40 o 3.897000       1.168000      345.3579      44.3   
1 1 1 23 12 41 o 21.90000       1.457000      559.2289      -103.4 
1 1 1 23 12 42 o 13.58000       1.405000      543.9609      -161.3 
1 1 1 23 12 43 o 9.026000       1.393000      415.8527      116.3  
1 1 1 23 12 44 o 24.48000       1.614000      703.4445      -77.4  
1 1 1 23 12 45 o 3.436000       1.458000      258.5714      -168.8 
1 1 1 23 12 46 o 9.440000       1.491000      416.0333      -151.9 
1 1 1 23 12 47 o 3.874000       1.444000      310.3637      25.8   
1 1 1 23 12 48 o 17.17000       1.498000      537.8554      150.3  
1 1 1 23 12 49 o 22.87000       1.564000      692.7525      127.1  
1 1 1 23 12 50 o 7.052000       1.474000      373.9445      10.7   
1 1 1 23 12 51 o 0.7479000      1.498000      127.7144      -131.4 
1 1 1 23 12 52 o 5.088000       1.634000      ?             ?      
1 1 1 23 12 53 o 7.641000       1.416000      ?             ?      
1 1 1 23 12 54 o 1.124000       1.256000      ?             ?      
1 1 1 23 12 55 o 1.332000       1.301000      ?             ?      
1 1 1 23 12 56 o 1.273000       1.223000      ?             ?      
1 1 1 23 12 57 o 5.535000       1.240000      ?             ?      
1 1 1 23 12 58 o 3.543000       1.240000      ?             ?      
1 1 1 23 12 59 o 0.8374000E-02  1.211000      ?             ?      
1 1 1 23 12 60 o 1.122000       1.374000      ?             ?      
1 1 1 23 12 61 o 1.795000       1.504000      ?             ?      
1 1 1 23 12 62 o 2.612000       1.365000      ?             ?      
1 1 1 23 12 63 o 6.135000       1.411000      ?             ?      
1 1 1 23 12 64 o 0.3657000      1.368000      ?             ?      
1 1 1 23 12 65 o 2.231000       1.295000      ?             ?      
1 1 1 23 12 66 o 3.443000       1.479000      ?             ?      
1 1 1 23 12 67 o -0.5795000     1.570000      ?             ?      
1 1 1 23 12 68 o 3.377000       1.456000      ?             ?      
1 1 1 23 12 69 o 1.029000       1.558000      ?             ?      
1 1 1 23 13 0  o 51.34000       3.740000      1450.603      90.0   
1 1 1 23 13 1  o 7.043000       2.119000      323.0086      -168.8 
1 1 1 23 13 2  o 5.381000       1.478000      380.5268      161.0  
1 1 1 23 13 3  o 17.54000       1.587000      632.6934      -177.9 
1 1 1 23 13 4  o 30.70000       1.912000      434.3603      -157.4 
1 1 1 23 13 5  o 29.89000       2.252000      909.4401      -150.3 
1 1 1 23 13 6  o 9.052000       1.432000      163.6352      -164.3 
1 1 1 23 13 7  o 21.69000       2.108000      566.0758      -175.9 
1 1 1 23 13 8  o 80.31000       2.229000      1123.243      -36.7  
1 1 1 23 13 9  o 23.41000       1.436000      886.2303      136.0  
1 1 1 23 13 10 o 23.11000       1.655000      870.1642      -178.5 
1 1 1 23 13 11 o 28.08000       1.690000      902.0397      -72.1  
1 1 1 23 13 12 o 9.355000       1.323000      664.6265      -20.0  
1 1 1 23 13 13 o 12.77000       1.265000      602.2214      88.5   
1 1 1 23 13 14 o 31.07000       1.578000      825.0471      120.9  
1 1 1 23 13 15 o 95.52000       2.909000      1407.476      8.1    
1 1 1 23 13 16 o 26.48000       1.584000      910.0524      -52.0  
1 1 1 23 13 17 o 49.94000       1.959000      1108.325      99.9   
1 1 1 23 13 18 o 27.91000       1.594000      807.0530      -71.7  
1 1 1 23 13 19 o 34.37000       1.832000      721.9197      77.3   
1 1 1 23 13 20 o 4.365000       1.255000      301.8727      -38.9  
1 1 1 23 13 21 o 22.32000       1.385000      651.9977      90.8   
1 1 1 23 13 22 o 1.960000       1.031000      280.5284      -71.0  
1 1 1 23 13 23 o 1.145000       1.011000      222.9946      164.6  
1 1 1 23 13 24 o 14.28000       1.080000      379.5738      -99.4  
1 1 1 23 13 25 o 5.956000       1.037000      289.8807      120.0  
1 1 1 23 13 26 o 32.48000       1.324000      909.2784      86.6   
1 1 1 23 13 27 o 15.05000       1.106000      557.2941      -35.5  
1 1 1 23 13 28 o 25.82000       1.234000      509.1249      -140.2 
1 1 1 23 13 29 o 9.339000       1.065000      431.6482      -114.6 
1 1 1 23 13 30 o 1.910000       1.004000      265.7233      -43.4  
1 1 1 23 13 31 o 14.71000       1.225000      559.1136      -124.6 
1 1 1 23 13 32 o 5.862000       1.155000      290.9933      -3.4   
1 1 1 23 13 33 o 8.752000       1.207000      394.6247      15.2   
1 1 1 23 13 34 o 8.475000       1.198000      563.4752      177.8  
1 1 1 23 13 35 o 12.32000       1.137000      573.6675      165.1  
1 1 1 23 13 36 o 3.573000       1.080000      277.6606      -58.2  
1 1 1 23 13 37 o 20.50000       1.247000      742.4210      -124.0 
1 1 1 23 13 38 o 5.158000       1.133000      334.7824      -98.6  
1 1 1 23 13 39 o 15.54000       1.263000      552.7775      146.5  
1 1 1 23 13 40 o 6.083000       1.174000      475.3188      76.6   
1 1 1 23 13 41 o 12.42000       1.238000      489.7333      -64.6  
1 1 1 23 13 42 o 0.8616000E-01  1.322000      244.7129      -35.5  
1 1 1 23 13 43 o 25.73000       1.889000      785.0288      -44.8  
1 1 1 23 13 44 o 1.024000       1.395000      108.2053      -67.3  
1 1 1 23 13 45 o 4.524000       1.477000      397.3672      21.1   
1 1 1 23 13 46 o 7.804000       1.617000      399.0362      137.0  
1 1 1 23 13 47 o 8.099000       1.489000      512.5126      -86.6  
1 1 1 23 13 48 o 4.050000       1.395000      206.5457      141.8  
1 1 1 23 13 49 o 20.24000       1.540000      629.2726      -92.7  
1 1 1 23 13 50 o 1.123000       1.499000      61.83739      91.2   
1 1 1 23 13 51 o 1.804000       1.601000      127.8900      -23.7  
1 1 1 23 13 52 o 3.113000       1.450000      ?             ?      
1 1 1 23 13 53 o -0.3723000     1.252000      ?             ?      
1 1 1 23 13 54 o 1.451000       1.234000      ?             ?      
1 1 1 23 13 55 o 0.7429000      1.221000      ?             ?      
1 1 1 23 13 56 o -0.5683000     1.215000      ?             ?      
1 1 1 23 13 57 o -0.1912000     1.217000      ?             ?      
1 1 1 23 13 58 o 13.11000       1.338000      ?             ?      
1 1 1 23 13 59 o -0.7423000     1.222000      ?             ?      
1 1 1 23 13 60 o -0.4894000     1.387000      ?             ?      
1 1 1 23 13 61 o 3.003000       1.440000      ?             ?      
1 1 1 23 13 62 o 0.9812000      1.371000      ?             ?      
1 1 1 23 13 63 o 2.811000       1.392000      ?             ?      
1 1 1 23 13 64 o -0.2959000     1.459000      ?             ?      
1 1 1 23 13 65 o 1.089000       1.484000      ?             ?      
1 1 1 23 13 66 o -2.844000      1.530000      ?             ?      
1 1 1 23 13 67 o -1.287000      1.463000      ?             ?      
1 1 1 23 13 68 o -1.241000      1.313000      ?             ?      
1 1 1 23 14 0  o 1.140000       1.937000      140.9155      90.0   
1 1 1 23 14 1  o 43.18000       2.694000      1149.044      90.6   
1 1 1 23 14 2  o 22.70000       2.063000      866.9297      -43.6  
1 1 1 23 14 3  o 6.327000       1.535000      688.9433      104.1  
1 1 1 23 14 4  o 16.33000       1.586000      650.4132      110.0  
1 1 1 23 14 5  o 15.19000       1.426000      459.9107      44.1   
1 1 1 23 14 6  o 7.215000       1.382000      656.8269      168.4  
1 1 1 23 14 7  o 3.982000       1.554000      186.6797      -148.0 
1 1 1 23 14 8  o 16.78000       1.538000      730.6577      146.8  
1 1 1 23 14 9  o 3.145000       1.235000      251.5348      45.9   
1 1 1 23 14 10 o -2.088000      1.237000      82.05145      -56.9  
1 1 1 23 14 11 o 27.34000       1.521000      738.4170      55.8   
1 1 1 23 14 12 o 132.6000       3.402000      1664.983      -33.4  
1 1 1 23 14 13 o 5.650000       1.394000      95.48920      -166.9 
1 1 1 23 14 14 o 83.15000       2.236000      1252.108      119.4  
1 1 1 23 14 15 o 28.42000       1.472000      900.6813      43.8   
1 1 1 23 14 16 o 4.234000       1.256000      199.6252      -51.4  
1 1 1 23 14 17 o 7.674000       1.239000      542.3599      4.9    
1 1 1 23 14 18 o 3.269000       1.190000      335.2318      50.3   
1 1 1 23 14 19 o 20.30000       1.461000      541.6008      43.0   
1 1 1 23 14 20 o 1.306000       1.262000      148.3864      20.1   
1 1 1 23 14 21 o 15.46000       1.314000      727.5957      156.5  
1 1 1 23 14 22 o 40.62000       1.633000      1067.954      140.5  
1 1 1 23 14 23 o 54.35000       1.655000      989.6941      44.9   
1 1 1 23 14 24 o 1.504000       1.008000      152.2507      79.1   
1 1 1 23 14 25 o 19.00000       1.136000      688.1807      47.4   
1 1 1 23 14 26 o 13.70000       1.077000      564.8652      115.6  
1 1 1 23 14 27 o -0.3411000     0.9737000     172.6561      -153.7 
1 1 1 23 14 28 o 9.715000       1.074000      332.0248      22.5   
1 1 1 23 14 29 o 18.70000       1.155000      523.2066      79.3   
1 1 1 23 14 30 o -0.9093000     1.008000      233.5095      -57.8  
1 1 1 23 14 31 o 13.79000       1.222000      410.5814      -132.3 
1 1 1 23 14 32 o 4.873000       1.322000      349.3321      -63.5  
1 1 1 23 14 33 o 1.443000       1.159000      303.7267      15.9   
1 1 1 23 14 34 o 4.719000       1.082000      360.5971      -52.8  
1 1 1 23 14 35 o 20.45000       1.235000      625.4572      21.3   
1 1 1 23 14 36 o 3.204000       1.074000      248.1258      -72.4  
1 1 1 23 14 37 o 16.66000       1.221000      855.4833      -51.6  
1 1 1 23 14 38 o 9.095000       1.171000      443.4368      -126.9 
1 1 1 23 14 39 o 20.05000       1.297000      589.1399      116.1  
1 1 1 23 14 40 o 5.656000       1.181000      386.4050      31.1   
1 1 1 23 14 41 o 1.384000       1.178000      230.4809      170.3  
1 1 1 23 14 42 o 8.175000       1.371000      452.9700      111.6  
1 1 1 23 14 43 o 1.854000       1.486000      209.4706      138.7  
1 1 1 23 14 44 o 12.29000       1.616000      559.0630      -100.5 
1 1 1 23 14 45 o 5.143000       1.382000      360.2765      -171.5 
1 1 1 23 14 46 o 5.049000       1.485000      413.7116      106.2  
1 1 1 23 14 47 o 18.86000       1.760000      528.3889      74.5   
1 1 1 23 14 48 o 3.749000       1.501000      396.5460      86.1   
1 1 1 23 14 49 o 6.721000       1.428000      420.8088      -112.2 
1 1 1 23 14 50 o 6.802000       1.546000      509.1396      -14.1  
1 1 1 23 14 51 o 1.180000       1.588000      ?             ?      
1 1 1 23 14 52 o 1.534000       1.375000      ?             ?      
1 1 1 23 14 53 o 4.690000       1.278000      ?             ?      
1 1 1 23 14 54 o -1.339000      1.228000      ?             ?      
1 1 1 23 14 55 o 2.444000       1.225000      ?             ?      
1 1 1 23 14 56 o 2.393000       1.238000      ?             ?      
1 1 1 23 14 57 o 6.534000       1.270000      ?             ?      
1 1 1 23 14 58 o 2.371000       1.235000      ?             ?      
1 1 1 23 14 59 o 2.331000       1.257000      ?             ?      
1 1 1 23 14 60 o 0.9638000      1.258000      ?             ?      
1 1 1 23 14 61 o 0.6237000      1.420000      ?             ?      
1 1 1 23 14 62 o 1.415000       1.377000      ?             ?      
1 1 1 23 14 63 o -1.315000      1.374000      ?             ?      
1 1 1 23 14 64 o 2.276000       1.405000      ?             ?      
1 1 1 23 14 65 o 0.5575000      1.609000      ?             ?      
1 1 1 23 14 66 o -2.136000      1.563000      ?             ?      
1 1 1 23 14 67 o -0.1696000     2.170000      ?             ?      
1 1 1 23 14 68 o -0.6209000E-01 1.310000      ?             ?      
1 1 1 23 15 0  o 0.7310000      1.991000      400.9515      90.0   
1 1 1 23 15 1  o 5.367000       1.416000      712.4962      -145.0 
1 1 1 23 15 2  o -0.2789000     1.416000      540.3809      115.9  
1 1 1 23 15 3  o 21.59000       1.554000      840.4504      3.2    
1 1 1 23 15 4  o 15.99000       1.686000      882.0380      172.9  
1 1 1 23 15 5  f 15.99000       1.758000      475.9781      -99.0  
1 1 1 23 15 6  o 31.06000       2.340000      620.2889      -54.6  
1 1 1 23 15 7  o 9.006000       1.432000      373.7878      -110.6 
1 1 1 23 15 8  o 8.854000       1.248000      229.0712      178.6  
1 1 1 23 15 9  o 28.68000       1.473000      905.1400      -148.5 
1 1 1 23 15 10 o 17.03000       1.367000      656.1665      146.2  
1 1 1 23 15 11 o 15.10000       1.365000      650.7788      -38.4  
1 1 1 23 15 12 o -0.3373000     1.268000      249.2371      70.9   
1 1 1 23 15 13 o 19.02000       1.622000      558.3760      103.5  
1 1 1 23 15 14 o 16.84000       1.338000      650.3209      175.3  
1 1 1 23 15 15 o 12.07000       1.294000      484.4020      -14.8  
1 1 1 23 15 16 o 25.30000       1.478000      649.3778      136.3  
1 1 1 23 15 17 o 2.188000       1.147000      372.5458      18.4   
1 1 1 23 15 18 o 2.273000       1.118000      46.65892      -51.4  
1 1 1 23 15 19 o 0.9504000E-02  1.298000      279.0577      47.1   
1 1 1 23 15 20 o 31.69000       1.624000      638.8309      -86.9  
1 1 1 23 15 21 f 5.506000       1.243000      519.9994      177.3  
1 1 1 23 15 22 o 18.14000       1.341000      699.8342      -172.0 
1 1 1 23 15 23 o 2.821000       1.216000      275.4348      -3.0   
1 1 1 23 15 24 o 25.36000       1.248000      828.3766      41.6   
1 1 1 23 15 25 o 1.211000       1.014000      141.7018      82.3   
1 1 1 23 15 26 o 4.881000       0.9971000     365.8230      53.2   
1 1 1 23 15 27 o 0.2462000      0.9753000     199.4092      -139.8 
1 1 1 23 15 28 o 1.390000       1.005000      303.7195      -74.7  
1 1 1 23 15 29 o 0.4481000      1.008000      11.67906      -60.3  
1 1 1 23 15 30 o -0.5454000     1.073000      99.71262      38.4   
1 1 1 23 15 31 o -0.8243000     1.219000      77.56798      15.1   
1 1 1 23 15 32 o -0.6656000     1.226000      49.55891      -103.9 
1 1 1 23 15 33 o 17.48000       1.281000      628.6677      40.6   
1 1 1 23 15 34 o 14.83000       1.174000      662.4260      109.4  
1 1 1 23 15 35 o 3.390000       1.080000      169.3560      -11.9  
1 1 1 23 15 36 o 5.714000       1.098000      390.5151      40.1   
1 1 1 23 15 37 f 27.37000       1.355000      804.4459      -109.4 
1 1 1 23 15 38 o 8.454000       1.171000      542.5692      -1.0   
1 1 1 23 15 39 o 0.4428000      1.140000      52.17770      93.9   
1 1 1 23 15 40 o 5.906000       1.192000      378.1510      -83.1  
1 1 1 23 15 41 o 17.24000       1.311000      639.6238      178.0  
1 1 1 23 15 42 o 2.892000       1.363000      237.2862      -52.8  
1 1 1 23 15 43 o 20.45000       1.603000      702.4166      -64.6  
1 1 1 23 15 44 o 7.640000       1.484000      366.9200      -71.0  
1 1 1 23 15 45 o 7.626000       1.461000      375.3908      124.4  
1 1 1 23 15 46 o 5.774000       1.485000      219.4222      119.0  
1 1 1 23 15 47 o 4.242000       1.619000      476.4759      -130.9 
1 1 1 23 15 48 o 0.6022000      1.467000      197.1808      -33.6  
1 1 1 23 15 49 o 5.417000       1.542000      339.7828      -79.5  
1 1 1 23 15 50 o 3.066000       1.634000      184.7543      103.0  
1 1 1 23 15 51 o 1.152000       1.458000      ?             ?      
1 1 1 23 15 52 o -0.4350000     1.256000      ?             ?      
1 1 1 23 15 53 o 1.369000       1.241000      ?             ?      
1 1 1 23 15 54 o 11.48000       1.316000      ?             ?      
1 1 1 23 15 55 o 0.2235000      1.210000      ?             ?      
1 1 1 23 15 56 o 0.8278000      1.210000      ?             ?      
1 1 1 23 15 57 o 1.549000       1.247000      ?             ?      
1 1 1 23 15 58 o 2.268000       1.242000      ?             ?      
1 1 1 23 15 59 o 2.698000       1.250000      ?             ?      
1 1 1 23 15 60 o 0.4724000      1.259000      ?             ?      
1 1 1 23 15 61 o 3.009000       1.416000      ?             ?      
1 1 1 23 15 62 o 0.5696000      1.519000      ?             ?      
1 1 1 23 15 63 o 0.7558000      1.373000      ?             ?      
1 1 1 23 15 64 o -0.3205000     1.561000      ?             ?      
1 1 1 23 15 65 o 2.833000       1.793000      ?             ?      
1 1 1 23 15 66 o 0.5448000      1.642000      ?             ?      
1 1 1 23 15 67 o 0.2964000      1.316000      ?             ?      
1 1 1 23 15 68 o 0.4022000      1.320000      ?             ?      
1 1 1 23 16 0  o 2.958000       1.917000      514.4221      -90.0  
1 1 1 23 16 1  o 26.91000       1.948000      666.3397      95.2   
1 1 1 23 16 2  o 1.351000       1.308000      110.4846      -72.1  
1 1 1 23 16 3  o 89.03000       3.106000      1374.072      84.3   
1 1 1 23 16 4  o 33.09000       1.760000      752.8267      95.4   
1 1 1 23 16 5  o 16.16000       1.458000      551.6429      -42.5  
1 1 1 23 16 6  o 9.713000       1.403000      573.7831      143.5  
1 1 1 23 16 7  o 15.80000       1.300000      634.9389      -10.1  
1 1 1 23 16 8  o 0.8154000      1.184000      125.5642      -87.3  
1 1 1 23 16 9  o 4.601000       1.230000      120.7891      -66.4  
1 1 1 23 16 10 o 1.535000       1.181000      98.59641      42.8   
1 1 1 23 16 11 o 2.415000       1.341000      221.5289      -179.9 
1 1 1 23 16 12 o 0.2975000      1.336000      287.7141      -53.4  
1 1 1 23 16 13 o 12.04000       1.252000      492.8312      -171.2 
1 1 1 23 16 14 o 20.52000       1.406000      625.4380      97.8   
1 1 1 23 16 15 o 2.946000       1.089000      242.3452      37.1   
1 1 1 23 16 16 o 3.550000       1.185000      414.7144      116.3  
1 1 1 23 16 17 o 2.331000       1.170000      128.0219      -71.0  
1 1 1 23 16 18 o 28.70000       1.376000      996.8344      59.0   
1 1 1 23 16 19 o 10.83000       1.184000      613.3972      -66.5  
1 1 1 23 16 20 o 46.06000       1.868000      880.2574      -126.7 
1 1 1 23 16 21 o 22.12000       1.482000      424.5402      148.3  
1 1 1 23 16 22 o 6.283000       1.227000      496.3044      98.8   
1 1 1 23 16 23 o 4.521000       1.218000      288.2115      11.8   
1 1 1 23 16 24 o 16.30000       1.168000      747.5241      126.5  
1 1 1 23 16 25 o 25.48000       1.258000      700.9689      110.0  
1 1 1 23 16 26 o -0.8560000     0.9818000     99.82359      167.2  
1 1 1 23 16 27 o 4.507000       1.019000      384.8189      104.5  
1 1 1 23 16 28 o 2.092000       0.9953000     268.9014      39.3   
1 1 1 23 16 29 o 1.820000       0.9936000     213.0211      -151.4 
1 1 1 23 16 30 o 3.999000       1.159000      358.5138      -121.9 
1 1 1 23 16 31 o 1.130000       1.316000      176.2450      -178.9 
1 1 1 23 16 32 o 0.9455000      1.162000      232.1546      32.0   
1 1 1 23 16 33 o 2.759000       1.074000      267.5504      86.2   
1 1 1 23 16 34 o 4.072000       1.080000      388.8824      77.9   
1 1 1 23 16 35 o 1.589000       1.078000      226.3731      24.7   
1 1 1 23 16 36 o 3.875000       1.112000      192.9321      -69.3  
1 1 1 23 16 37 o 1.135000       1.130000      87.95744      -88.2  
1 1 1 23 16 38 o 3.034000       1.154000      284.7238      136.6  
1 1 1 23 16 39 o 5.745000       1.179000      299.3021      77.3   
1 1 1 23 16 40 o 10.09000       1.248000      482.1342      23.8   
1 1 1 23 16 41 o 2.553000       1.214000      244.9885      -85.0  
1 1 1 23 16 42 o 1.915000       1.233000      15.59446      133.3  
1 1 1 23 16 43 o -0.3760000     1.430000      228.2971      42.1   
1 1 1 23 16 44 o 1.092000       1.562000      258.7594      -109.7 
1 1 1 23 16 45 o 7.213000       1.477000      402.1106      98.9   
1 1 1 23 16 46 o 0.4083000      1.352000      156.4969      99.9   
1 1 1 23 16 47 o 3.297000       1.520000      178.9564      40.8   
1 1 1 23 16 48 o 3.071000       1.602000      311.9015      -77.7  
1 1 1 23 16 49 o 0.6460000      1.643000      171.5169      -166.1 
1 1 1 23 16 50 o 3.858000       1.532000      321.3340      69.8   
1 1 1 23 16 51 o 3.172000       1.447000      ?             ?      
1 1 1 23 16 52 o 2.913000       1.308000      ?             ?      
1 1 1 23 16 53 o 1.443000       1.235000      ?             ?      
1 1 1 23 16 54 o -0.3037000E-01 1.238000      ?             ?      
1 1 1 23 16 55 o 2.117000       1.293000      ?             ?      
1 1 1 23 16 56 o 2.186000       1.229000      ?             ?      
1 1 1 23 16 57 o 5.058000       1.264000      ?             ?      
1 1 1 23 16 58 f 1.298000       1.220000      ?             ?      
1 1 1 23 16 59 o -1.388000      1.225000      ?             ?      
1 1 1 23 16 60 o -1.582000      1.245000      ?             ?      
1 1 1 23 16 61 o 2.524000       1.277000      ?             ?      
1 1 1 23 16 62 o -0.7421000     1.425000      ?             ?      
1 1 1 23 16 63 o 0.6233000      1.356000      ?             ?      
1 1 1 23 16 64 o -2.234000      1.626000      ?             ?      
1 1 1 23 16 65 o 0.2156000      1.752000      ?             ?      
1 1 1 23 16 66 o 0.7402000      1.638000      ?             ?      
1 1 1 23 16 67 o -2.786000      1.295000      ?             ?      
1 1 1 23 16 68 o 0.1750000      1.539000      ?             ?      
1 1 1 23 17 0  o 41.64000       3.255000      754.0985      -90.0  
1 1 1 23 17 1  o -0.3532000     1.441000      213.5806      132.6  
1 1 1 23 17 2  o 4.726000       1.281000      439.4400      119.1  
1 1 1 23 17 3  o 6.548000       1.382000      386.8022      -139.1 
1 1 1 23 17 4  o 58.71000       2.625000      1254.105      -174.9 
1 1 1 23 17 5  o 28.48000       1.636000      770.5810      -85.8  
1 1 1 23 17 6  o 16.99000       1.437000      776.1031      57.6   
1 1 1 23 17 7  o 2.248000       1.141000      250.2480      77.4   
1 1 1 23 17 8  o 4.458000       1.277000      362.3641      -147.4 
1 1 1 23 17 9  o 7.714000       1.275000      571.9727      169.0  
1 1 1 23 17 10 o 16.23000       1.296000      538.7925      98.0   
1 1 1 23 17 11 o -0.5416000     1.196000      61.15223      -42.8  
1 1 1 23 17 12 o 8.275000       1.276000      436.3451      -114.0 
1 1 1 23 17 13 o -1.218000      1.180000      232.7760      -140.7 
1 1 1 23 17 14 o 0.8495000      1.206000      281.1265      -154.0 
1 1 1 23 17 15 o 1.793000       1.180000      227.2253      -116.1 
1 1 1 23 17 16 o 5.234000       1.082000      266.0026      -129.8 
1 1 1 23 17 17 o 7.241000       1.168000      423.7528      -150.0 
1 1 1 23 17 18 o 4.765000       1.181000      419.5460      165.7  
1 1 1 23 17 19 o 5.616000       1.138000      291.5373      -93.6  
1 1 1 23 17 20 o 8.900000       1.212000      581.4375      -32.2  
1 1 1 23 17 21 o 5.907000       1.329000      360.2049      155.5  
1 1 1 23 17 22 o 7.041000       1.234000      370.4613      -169.1 
1 1 1 23 17 23 o 1.533000       1.197000      382.9307      3.8    
1 1 1 23 17 24 o 2.219000       1.202000      172.3240      -67.2  
1 1 1 23 17 25 o 4.083000       1.050000      273.2591      -134.8 
1 1 1 23 17 26 o 2.500000       1.018000      209.0468      -86.8  
1 1 1 23 17 27 o 7.158000       1.050000      464.4291      -38.4  
1 1 1 23 17 28 o 2.537000       1.001000      178.9687      39.8   
1 1 1 23 17 29 o 0.9638000      1.048000      206.2938      71.3   
1 1 1 23 17 30 o -1.406000      1.172000      85.01622      -8.8   
1 1 1 23 17 31 o 8.696000       1.316000      492.8717      -129.4 
1 1 1 23 17 32 o -0.7280000     1.125000      124.7393      -156.7 
1 1 1 23 17 33 o -1.380000      1.071000      201.9969      21.4   
1 1 1 23 17 34 o 1.338000       1.067000      192.9364      106.4  
1 1 1 23 17 35 o 1.203000       1.075000      170.0594      -46.9  
1 1 1 23 17 36 o 2.109000       1.108000      264.2816      14.2   
1 1 1 23 17 37 o 6.900000       1.190000      343.6680      -118.2 
1 1 1 23 17 38 o 1.660000       1.163000      170.0762      67.2   
1 1 1 23 17 39 o -0.2520000     1.161000      217.4240      -44.7  
1 1 1 23 17 40 o 5.572000       1.226000      204.2518      -39.3  
1 1 1 23 17 41 o 14.46000       1.329000      596.4745      120.9  
1 1 1 23 17 42 o 1.552000       1.247000      166.3175      6.1    
1 1 1 23 17 43 o 2.429000       1.438000      113.3954      -40.0  
1 1 1 23 17 44 o 2.943000       1.583000      179.2772      119.2  
1 1 1 23 17 45 o 5.565000       1.462000      356.6644      66.3   
1 1 1 23 17 46 o 2.990000       1.443000      217.4751      -166.5 
1 1 1 23 17 47 o 1.378000       1.495000      206.3519      -112.6 
1 1 1 23 17 48 o 3.720000       1.822000      213.9624      -54.4  
1 1 1 23 17 49 o 1.448000       1.833000      114.8300      164.4  
1 1 1 23 17 50 o 2.093000       1.461000      ?             ?      
1 1 1 23 17 51 o -1.217000      1.263000      ?             ?      
1 1 1 23 17 52 o 3.912000       1.258000      ?             ?      
1 1 1 23 17 53 o 2.729000       1.244000      ?             ?      
1 1 1 23 17 54 o -0.8308000     1.207000      ?             ?      
1 1 1 23 17 55 o 0.7611000      1.209000      ?             ?      
1 1 1 23 17 56 o 0.4020000      1.221000      ?             ?      
1 1 1 23 17 57 o 1.073000       1.231000      ?             ?      
1 1 1 23 17 58 o 0.8326000      1.225000      ?             ?      
1 1 1 23 17 59 o 2.504000       1.309000      ?             ?      
1 1 1 23 17 60 o 0.5512000      1.242000      ?             ?      
1 1 1 23 17 61 o -1.036000      1.231000      ?             ?      
1 1 1 23 17 62 o 0.8205000      1.420000      ?             ?      
1 1 1 23 17 63 o 0.5003000      1.667000      ?             ?      
1 1 1 23 17 64 o 1.440000       1.596000      ?             ?      
1 1 1 23 17 65 o 0.8345000      1.660000      ?             ?      
1 1 1 23 17 66 o -1.133000      1.535000      ?             ?      
1 1 1 23 17 67 o 2.719000       1.456000      ?             ?      
1 1 1 23 18 0  o -2.535000      1.613000      163.6646      -90.0  
1 1 1 23 18 1  o 3.396000       1.194000      175.0527      -65.1  
1 1 1 23 18 2  o 2.567000       1.454000      322.2704      -174.2 
1 1 1 23 18 3  o -0.8109000     1.453000      157.9220      -42.4  
1 1 1 23 18 4  o 5.759000       1.300000      398.3761      -49.7  
1 1 1 23 18 5  o 0.9592000      1.321000      268.0561      125.1  
1 1 1 23 18 6  o 1.613000       1.349000      264.7413      135.6  
1 1 1 23 18 7  o 8.162000       1.177000      397.3329      -22.7  
1 1 1 23 18 8  o 9.748000       1.265000      467.2015      -141.0 
1 1 1 23 18 9  o 3.155000       1.119000      229.1164      156.9  
1 1 1 23 18 10 o 0.8869000      1.115000      377.8513      -59.3  
1 1 1 23 18 11 o 1.634000       1.151000      116.2168      2.9    
1 1 1 23 18 12 o 12.39000       1.262000      677.1757      -102.9 
1 1 1 23 18 13 o 9.549000       1.253000      541.2765      -3.5   
1 1 1 23 18 14 o 8.614000       1.252000      394.3593      84.8   
1 1 1 23 18 15 o -0.3950000     1.147000      55.44090      148.5  
1 1 1 23 18 16 o 0.7803000      1.170000      235.0835      -127.9 
1 1 1 23 18 17 o 3.907000       1.133000      328.6398      -7.5   
1 1 1 23 18 18 o 3.536000       1.135000      416.0984      -7.2   
1 1 1 23 18 19 o 8.943000       1.154000      295.6969      -63.4  
1 1 1 23 18 20 o -0.4108000     1.104000      168.9818      142.5  
1 1 1 23 18 21 o 2.860000       1.175000      263.3510      46.2   
1 1 1 23 18 22 o 7.751000       1.329000      340.1754      -94.1  
1 1 1 23 18 23 o 1.337000       1.206000      97.84731      133.9  
1 1 1 23 18 24 o 4.758000       1.235000      306.1303      105.9  
1 1 1 23 18 25 o 2.925000       1.190000      224.6985      -15.2  
1 1 1 23 18 26 o 0.7166000      1.018000      44.43363      174.5  
1 1 1 23 18 27 o 2.211000       1.002000      37.86862      156.8  
1 1 1 23 18 28 o -1.410000      1.038000      32.30790      -138.6 
1 1 1 23 18 29 o 3.763000       1.121000      299.0750      -155.4 
1 1 1 23 18 30 o 4.676000       1.218000      251.6483      -62.8  
1 1 1 23 18 31 o -2.368000      1.158000      64.09243      112.8  
1 1 1 23 18 32 o 3.996000       1.117000      193.7467      -9.1   
1 1 1 23 18 33 o 5.120000       1.125000      311.4200      -2.5   
1 1 1 23 18 34 o 3.417000       1.122000      277.3399      -5.9   
1 1 1 23 18 35 o 0.1007000      1.092000      57.08340      -161.3 
1 1 1 23 18 36 o 4.340000       1.143000      325.1777      -28.8  
1 1 1 23 18 37 o -0.5470000     1.136000      93.77489      -64.4  
1 1 1 23 18 38 o 7.176000       1.220000      450.3601      89.4   
1 1 1 23 18 39 o 2.061000       1.191000      253.9855      -59.0  
1 1 1 23 18 40 o -1.606000      1.210000      70.55215      100.8  
1 1 1 23 18 41 o 8.373000       1.306000      324.2974      -172.9 
1 1 1 23 18 42 o 6.070000       1.294000      389.1122      -178.5 
1 1 1 23 18 43 o 1.915000       1.315000      121.3858      -28.1  
1 1 1 23 18 44 o 0.6911000      1.458000      118.4189      -77.0  
1 1 1 23 18 45 o 2.419000       1.560000      243.5568      79.0   
1 1 1 23 18 46 o 0.4439000      1.424000      132.9555      99.3   
1 1 1 23 18 47 f 1.845000       1.358000      210.2510      -59.5  
1 1 1 23 18 48 o 2.618000       1.701000      261.3520      -124.7 
1 1 1 23 18 49 o -0.3356000     1.872000      123.0847      119.3  
1 1 1 23 18 50 o 1.709000       1.588000      ?             ?      
1 1 1 23 18 51 o -1.832000      1.255000      ?             ?      
1 1 1 23 18 52 o 3.017000       1.238000      ?             ?      
1 1 1 23 18 53 o 1.477000       1.208000      ?             ?      
1 1 1 23 18 54 o 0.9668000      1.192000      ?             ?      
1 1 1 23 18 55 o 0.8645000E-01  1.201000      ?             ?      
1 1 1 23 18 56 o 2.931000       1.229000      ?             ?      
1 1 1 23 18 57 o 2.170000       1.218000      ?             ?      
1 1 1 23 18 58 o -0.2294000     1.225000      ?             ?      
1 1 1 23 18 59 o -1.885000      1.235000      ?             ?      
1 1 1 23 18 60 o 2.206000       1.250000      ?             ?      
1 1 1 23 18 61 o -0.9045000     1.237000      ?             ?      
1 1 1 23 18 62 o 1.195000       1.398000      ?             ?      
1 1 1 23 18 63 o 0.1255000      1.791000      ?             ?      
1 1 1 23 18 64 o -0.6023000     1.727000      ?             ?      
1 1 1 23 18 65 o 1.932000       1.682000      ?             ?      
1 1 1 23 18 66 o 1.720000       1.449000      ?             ?      
1 1 1 23 18 67 o 0.7689000      1.438000      ?             ?      
1 1 1 23 19 0  o 2.800000       2.081000      349.0265      -90.0  
1 1 1 23 19 1  o 5.550000       1.655000      251.9629      -63.0  
1 1 1 23 19 2  o 1.148000       1.274000      101.3701      -5.2   
1 1 1 23 19 3  o 0.4245000      1.283000      116.1338      -84.7  
1 1 1 23 19 4  o 2.063000       1.281000      212.8634      -172.9 
1 1 1 23 19 5  o 2.880000       1.272000      207.6990      -173.5 
1 1 1 23 19 6  o 0.3908000      1.231000      136.9554      105.0  
1 1 1 23 19 7  o -1.106000      1.236000      188.3767      34.7   
1 1 1 23 19 8  o 1.283000       1.090000      154.2104      160.5  
1 1 1 23 19 9  o 2.787000       1.129000      259.4834      -24.8  
1 1 1 23 19 10 o 1.630000       1.102000      273.5793      65.1   
1 1 1 23 19 11 o 1.343000       1.105000      145.4584      -5.2   
1 1 1 23 19 12 o -2.382000      1.109000      104.7850      -142.3 
1 1 1 23 19 13 o 3.765000       1.144000      230.4086      26.7   
1 1 1 23 19 14 o 4.268000       1.214000      378.7899      71.1   
1 1 1 23 19 15 o 11.78000       1.253000      612.9081      -104.4 
1 1 1 23 19 16 o 0.6732000      1.131000      238.7811      171.4  
1 1 1 23 19 17 o 1.000000       1.036000      198.3309      85.6   
1 1 1 23 19 18 o 0.4055000      1.104000      288.2578      134.4  
1 1 1 23 19 19 o 1.491000       1.099000      220.6480      -43.0  
1 1 1 23 19 20 o 0.7820000      1.092000      183.4647      -166.5 
1 1 1 23 19 21 o 1.480000       1.082000      126.3538      44.0   
1 1 1 23 19 22 o -0.3032000     1.253000      47.23459      96.5   
1 1 1 23 19 23 o 2.997000       1.264000      186.6403      2.5    
1 1 1 23 19 24 o -0.3643000     1.197000      61.89629      -68.7  
1 1 1 23 19 25 o 0.5133000      1.205000      73.10917      -8.9   
1 1 1 23 19 26 o -0.4159000     1.020000      83.40249      -103.8 
1 1 1 23 19 27 o 0.2546000      1.004000      170.3228      -82.1  
1 1 1 23 19 28 o -0.2644000     1.076000      120.8867      54.8   
1 1 1 23 19 29 o 1.066000       1.181000      206.5828      -18.9  
1 1 1 23 19 30 o 1.058000       1.203000      102.2430      -103.0 
1 1 1 23 19 31 o 0.2753000      1.123000      106.0308      -17.1  
1 1 1 23 19 32 o 2.212000       1.101000      103.4364      53.1   
1 1 1 23 19 33 o 1.266000       1.127000      197.0027      61.8   
1 1 1 23 19 34 o 5.231000       1.155000      246.4560      99.4   
1 1 1 23 19 35 o 1.971000       1.136000      231.4267      17.0   
1 1 1 23 19 36 o 0.5545000      1.127000      124.2214      -90.0  
1 1 1 23 19 37 o 1.231000       1.144000      189.3021      164.6  
1 1 1 23 19 38 o 0.2779000      1.161000      135.3075      -84.2  
1 1 1 23 19 39 o 1.447000       1.186000      107.6651      -41.5  
1 1 1 23 19 40 o 5.634000       1.258000      335.4776      -20.5  
1 1 1 23 19 41 o -0.4747000     1.245000      84.82643      105.6  
1 1 1 23 19 42 o -3.282000      1.250000      65.44788      147.9  
1 1 1 23 19 43 o 0.8180000      1.269000      140.2109      -30.6  
1 1 1 23 19 44 o 1.186000       1.444000      147.8804      83.3   
1 1 1 23 19 45 o 2.119000       1.557000      211.3584      72.9   
1 1 1 23 19 46 o 1.429000       1.414000      84.38512      -126.6 
1 1 1 23 19 47 o 2.185000       1.468000      164.6333      -52.2  
1 1 1 23 19 48 o 1.699000       2.100000      111.3205      -29.1  
1 1 1 23 19 49 o 2.264000       1.679000      ?             ?      
1 1 1 23 19 50 o 1.710000       1.388000      ?             ?      
1 1 1 23 19 51 o 1.190000       1.262000      ?             ?      
1 1 1 23 19 52 o -1.077000      1.215000      ?             ?      
1 1 1 23 19 53 o 1.522000       1.208000      ?             ?      
1 1 1 23 19 54 o -0.7961000     1.200000      ?             ?      
1 1 1 23 19 55 o 0.4217000      1.185000      ?             ?      
1 1 1 23 19 56 o -0.3955000     1.200000      ?             ?      
1 1 1 23 19 57 o -0.2725000E-01 1.214000      ?             ?      
1 1 1 23 19 58 o -0.6021000     1.216000      ?             ?      
1 1 1 23 19 59 o 2.390000       1.242000      ?             ?      
1 1 1 23 19 60 o 0.1691000      1.238000      ?             ?      
1 1 1 23 19 61 o 1.815000       1.238000      ?             ?      
1 1 1 23 19 62 o 0.4769000      1.257000      ?             ?      
1 1 1 23 19 63 o 0.4400000      1.644000      ?             ?      
1 1 1 23 19 64 f -0.4482000     1.939000      ?             ?      
1 1 1 23 19 65 o 0.1299000      1.772000      ?             ?      
1 1 1 23 19 66 o 1.121000       1.447000      ?             ?      
1 1 1 23 19 67 o -0.2051000     2.468000      ?             ?      
1 1 1 23 20 0  o -1.898000      1.843000      23.24822      90.0   
1 1 1 23 20 1  o -0.5996000     1.230000      221.0778      78.7   
1 1 1 23 20 2  o 0.4435000      1.392000      291.2068      93.2   
1 1 1 23 20 3  o -0.1402000     2.578000      134.7948      -59.0  
1 1 1 23 20 4  o 2.798000       1.747000      289.9911      -45.8  
1 1 1 23 20 5  o -2.249000      1.222000      34.83206      -65.0  
1 1 1 23 20 6  o -0.1560000     1.092000      98.06125      -155.5 
1 1 1 23 20 7  o -0.4997000E-01 1.041000      165.7123      57.3   
1 1 1 23 20 8  o 1.438000       1.078000      224.5739      81.5   
1 1 1 23 20 9  o 0.5476000E-01  1.233000      31.28933      143.6  
1 1 1 23 20 10 o -1.135000      1.265000      121.3597      -178.6 
1 1 1 23 20 11 o -0.6375000     1.091000      86.75594      159.4  
1 1 1 23 20 12 o -1.910000      1.100000      42.77446      -118.8 
1 1 1 23 20 13 o 1.009000       1.120000      224.8095      62.2   
1 1 1 23 20 14 o 0.7522000      1.101000      158.9170      42.7   
1 1 1 23 20 15 o 0.6537000E-01  1.144000      134.5811      -127.7 
1 1 1 23 20 16 o 0.4904000      1.170000      204.1442      18.8   
1 1 1 23 20 17 o -0.3752000     1.112000      123.5501      -49.0  
1 1 1 23 20 18 o 2.322000       1.054000      263.1862      -55.4  
1 1 1 23 20 19 o 1.535000       1.104000      72.64061      159.1  
1 1 1 23 20 20 o 1.701000       1.126000      357.1832      118.0  
1 1 1 23 20 21 o -2.738000      1.074000      29.54199      86.8   
1 1 1 23 20 22 o 2.753000       1.097000      41.61833      -176.0 
1 1 1 23 20 23 o 1.461000       1.263000      41.44715      -23.9  
1 1 1 23 20 24 o -0.1441000     1.203000      36.72703      -71.3  
1 1 1 23 20 25 o 0.1002000      1.237000      145.9551      -144.0 
1 1 1 23 20 26 o 1.057000       1.200000      39.73281      -157.5 
1 1 1 23 20 27 o -1.759000      1.087000      60.07038      8.2    
1 1 1 23 20 28 o -0.1265000     1.165000      95.27088      43.3   
1 1 1 23 20 29 o 1.212000       1.139000      143.7314      88.6   
1 1 1 23 20 30 o 0.1721000      1.126000      72.73391      152.5  
1 1 1 23 20 31 o -0.2227000     1.111000      133.9497      -113.1 
1 1 1 23 20 32 o -0.8110000     1.052000      103.1354      11.9   
1 1 1 23 20 33 o -1.667000      1.114000      143.5340      -39.4  
1 1 1 23 20 34 o -0.5659000     1.127000      163.9129      161.8  
1 1 1 23 20 35 o -0.1915000     1.121000      182.8137      -75.0  
1 1 1 23 20 36 o 0.4338000      1.128000      31.65152      155.3  
1 1 1 23 20 37 o -0.7397000     1.138000      41.85833      -20.7  
1 1 1 23 20 38 o -0.1109000     1.147000      61.43419      98.8   
1 1 1 23 20 39 o -0.8440000     1.165000      100.3455      62.1   
1 1 1 23 20 40 o 3.190000       1.219000      166.9463      134.6  
1 1 1 23 20 41 o -0.1581000     1.234000      52.01236      68.7   
1 1 1 23 20 42 o -1.043000      1.230000      41.68945      80.3   
1 1 1 23 20 43 o -0.1008000     1.245000      107.6717      -58.7  
1 1 1 23 20 44 o 1.131000       1.462000      27.70664      -178.9 
1 1 1 23 20 45 o -1.439000      1.547000      62.91005      136.0  
1 1 1 23 20 46 o -0.7437000     1.406000      118.8908      77.4   
1 1 1 23 20 47 o -0.8893000     1.622000      74.79214      -85.4  
1 1 1 23 20 48 o -0.1725000     1.484000      39.76413      -82.1  
1 1 1 23 20 49 o 0.3443000      1.479000      ?             ?      
1 1 1 23 20 50 o -1.158000      1.467000      ?             ?      
1 1 1 23 20 51 o -0.9478000     1.341000      ?             ?      
1 1 1 23 20 52 o -0.1397000     1.222000      ?             ?      
1 1 1 23 20 53 o -0.1831000     1.214000      ?             ?      
1 1 1 23 20 54 o 1.779000       1.211000      ?             ?      
1 1 1 23 20 55 o 1.459000       1.207000      ?             ?      
1 1 1 23 20 56 o 0.2614000      1.200000      ?             ?      
1 1 1 23 20 57 o -2.541000      1.202000      ?             ?      
1 1 1 23 20 58 o -1.659000      1.207000      ?             ?      
1 1 1 23 20 59 o -0.1557000     1.224000      ?             ?      
1 1 1 23 20 60 o 1.714000       1.241000      ?             ?      
1 1 1 23 20 61 o -0.9441000     1.237000      ?             ?      
1 1 1 23 20 62 o -2.327000      1.396000      ?             ?      
1 1 1 23 20 63 o 0.6413000      2.045000      ?             ?      
1 1 1 23 20 64 o 0.6870000      2.532000      ?             ?      
1 1 1 23 20 65 o -0.1223000     1.406000      ?             ?      
1 1 1 23 20 66 o 0.2611000      1.534000      ?             ?      
1 1 1 23 21 0  o -2.931000      1.487000      17.80680      -90.0  
1 1 1 23 21 1  o -1.633000      1.080000      31.75513      -108.0 
1 1 1 23 21 2  o -0.7357000     1.275000      82.38210      49.2   
1 1 1 23 21 3  o 0.9120000E-01  1.325000      91.08231      130.5  
1 1 1 23 21 4  o -2.357000      1.286000      139.3076      175.4  
1 1 1 23 21 5  o -1.430000      1.295000      101.9716      -114.7 
1 1 1 23 21 6  o -2.332000      1.332000      103.4344      70.9   
1 1 1 23 21 7  o -0.1300000     1.229000      58.99279      -74.5  
1 1 1 23 21 8  o 0.5596000      1.041000      183.3098      -79.0  
1 1 1 23 21 9  o -1.246000      1.044000      32.43567      -69.4  
1 1 1 23 21 10 o -0.4905000     1.097000      107.5572      149.6  
1 1 1 23 21 11 o 0.6681000      1.121000      58.71809      -140.9 
1 1 1 23 21 12 o -1.313000      1.290000      162.0654      100.8  
1 1 1 23 21 13 f -1.188000      1.303000      96.23287      -7.1   
1 1 1 23 21 14 o -1.152000      1.060000      202.3261      -153.2 
1 1 1 23 21 15 o -1.249000      1.144000      94.76084      -88.1  
1 1 1 23 21 16 o -1.427000      1.140000      116.1867      -11.7  
1 1 1 23 21 17 o 0.4302000      1.131000      147.5108      87.9   
1 1 1 23 21 18 o 0.8865000      1.153000      80.93465      122.6  
1 1 1 23 21 19 o -1.212000      1.033000      36.90339      71.5   
1 1 1 23 21 20 o -2.283000      1.095000      84.52656      -69.8  
1 1 1 23 21 21 o 0.4388000      1.082000      58.09984      121.7  
1 1 1 23 21 22 o -0.5842000     1.139000      69.28537      -177.7 
1 1 1 23 21 23 o 1.153000       1.098000      68.95779      -165.3 
1 1 1 23 21 24 o 1.714000       1.296000      68.49798      -113.6 
1 1 1 23 21 25 o -0.4843000     1.227000      66.85204      81.5   
1 1 1 23 21 26 o -1.205000      1.227000      77.11473      -115.3 
1 1 1 23 21 27 o -0.2860000     1.417000      37.31814      78.2   
1 1 1 23 21 28 o -0.6054000     1.196000      114.0206      86.8   
1 1 1 23 21 29 o 0.6253000      1.187000      56.43456      -72.3  
1 1 1 23 21 30 o 1.655000       1.090000      189.5339      164.4  
1 1 1 23 21 31 o -0.2350000     1.029000      58.21920      68.3   
1 1 1 23 21 32 o 0.7719000E-01  1.053000      82.01070      -49.3  
1 1 1 23 21 33 o 1.925000       1.096000      64.22408      125.7  
1 1 1 23 21 34 o 0.2883000      1.108000      98.64212      63.8   
1 1 1 23 21 35 o -1.193000      1.104000      49.04331      -62.8  
1 1 1 23 21 36 o 1.639000       1.142000      131.8799      -81.1  
1 1 1 23 21 37 o 1.516000       1.153000      57.14094      171.8  
1 1 1 23 21 38 o -0.9560000     1.147000      95.80504      -114.5 
1 1 1 23 21 39 o 1.700000       1.182000      66.40805      -71.4  
1 1 1 23 21 40 o -0.3319000     1.203000      67.61891      -150.4 
1 1 1 23 21 41 o -1.384000      1.203000      89.33923      159.6  
1 1 1 23 21 42 o 2.075000       1.225000      84.37771      53.3   
1 1 1 23 21 43 o 0.4787000      1.260000      46.12357      73.8   
1 1 1 23 21 44 o 2.768000       1.327000      143.7987      121.6  
1 1 1 23 21 45 o -0.4157000     1.465000      36.63726      161.9  
1 1 1 23 21 46 o 0.9583000E-01  1.771000      136.2896      -77.1  
1 1 1 23 21 47 o 2.429000       1.946000      114.1069      -139.3 
1 1 1 23 21 48 o -2.013000      1.418000      ?             ?      
1 1 1 23 21 49 o -0.4459000     1.354000      ?             ?      
1 1 1 23 21 50 o 0.6206000      1.381000      ?             ?      
1 1 1 23 21 51 o -0.8330000     1.349000      ?             ?      
1 1 1 23 21 52 o -0.8737000     1.246000      ?             ?      
1 1 1 23 21 53 o 0.6304000      1.223000      ?             ?      
1 1 1 23 21 54 o 0.6808000      1.213000      ?             ?      
1 1 1 23 21 55 o 0.1697000      1.194000      ?             ?      
1 1 1 23 21 56 o 0.8566000      1.189000      ?             ?      
1 1 1 23 21 57 o -0.8773000     1.196000      ?             ?      
1 1 1 23 21 58 o 0.6089000      1.217000      ?             ?      
1 1 1 23 21 59 o 1.934000       1.235000      ?             ?      
1 1 1 23 21 60 f 0.4380000      1.231000      ?             ?      
1 1 1 23 21 61 o -1.885000      1.235000      ?             ?      
1 1 1 23 21 62 o -0.8783000     1.383000      ?             ?      
1 1 1 23 21 63 o -2.217000      1.671000      ?             ?      
1 1 1 23 21 64 o -3.724000      1.763000      ?             ?      
1 1 1 23 21 65 o 1.071000       1.611000      ?             ?      
1 1 1 23 21 66 o -0.5086000     1.444000      ?             ?      
1 1 1 23 22 0  o 0.7619000      1.445000      166.0168      90.0   
1 1 1 23 22 1  o -2.206000      1.111000      69.80656      125.1  
1 1 1 23 22 2  o 0.3522000      1.136000      126.0600      -106.6 
1 1 1 23 22 3  o 0.9971000      1.059000      214.2194      -101.0 
1 1 1 23 22 4  o -0.1399000     1.238000      91.90786      -108.7 
1 1 1 23 22 5  o -1.447000      1.108000      137.8252      -45.9  
1 1 1 23 22 6  o 0.5022000      1.066000      104.7423      -39.6  
1 1 1 23 22 7  o -0.7005000     1.022000      89.97147      57.1   
1 1 1 23 22 8  o 0.2390000      1.268000      131.1971      -27.7  
1 1 1 23 22 9  o -0.2817000     1.286000      136.2109      -67.9  
1 1 1 23 22 10 o -0.5305000     1.084000      83.04179      -142.1 
1 1 1 23 22 11 o -2.437000      1.063000      32.39451      151.4  
1 1 1 23 22 12 o -0.7941000     1.103000      129.7187      96.3   
1 1 1 23 22 13 o -2.324000      1.103000      184.2682      58.2   
1 1 1 23 22 14 o 0.3894000      1.261000      180.4793      -148.0 
1 1 1 23 22 15 o -1.292000      1.357000      269.5730      -93.6  
1 1 1 23 22 16 o -1.510000      1.146000      116.7865      -71.8  
1 1 1 23 22 17 o -0.9292000     1.120000      37.14427      -28.9  
1 1 1 23 22 18 o -1.931000      1.149000      75.28957      64.2   
1 1 1 23 22 19 o 0.6856000      1.170000      135.7302      62.4   
1 1 1 23 22 20 o -1.629000      1.091000      132.8991      170.9  
1 1 1 23 22 21 o -1.015000      1.083000      146.7965      65.3   
1 1 1 23 22 22 o 0.9445000      1.076000      24.01127      -158.1 
1 1 1 23 22 23 o -0.2598000     1.057000      177.5860      -68.2  
1 1 1 23 22 24 f 0.7222000      1.279000      67.62592      -146.0 
1 1 1 23 22 25 o -1.943000      1.321000      102.6603      75.6   
1 1 1 23 22 26 o 1.048000       1.422000      65.43508      46.0   
1 1 1 23 22 27 o 0.1011000      1.523000      99.67135      119.7  
1 1 1 23 22 28 o -0.8043000E-01 1.157000      98.34193      87.2   
1 1 1 23 22 29 o 0.8533000E-01  1.096000      35.53171      -127.1 
1 1 1 23 22 30 o -1.083000      1.097000      66.02074      -177.3 
1 1 1 23 22 31 o 0.2779000      1.030000      121.8484      -25.3  
1 1 1 23 22 32 o -2.016000      1.032000      74.22109      14.6   
1 1 1 23 22 33 o -0.2497000E-01 1.053000      69.57961      91.1   
1 1 1 23 22 34 o -0.6093000     1.068000      73.90221      157.9  
1 1 1 23 22 35 o 0.8839000E-01  1.120000      65.10622      69.5   
1 1 1 23 22 36 o 1.648000       1.162000      57.71912      -107.2 
1 1 1 23 22 37 o -0.4274000     1.159000      68.20979      -70.0  
1 1 1 23 22 38 o 1.130000       1.153000      69.54890      43.8   
1 1 1 23 22 39 o -1.069000      1.175000      61.30277      22.0   
1 1 1 23 22 40 o 1.134000       1.209000      60.48346      -43.9  
1 1 1 23 22 41 o -1.225000      1.208000      34.68518      11.9   
1 1 1 23 22 42 o -1.010000      1.232000      95.39453      -119.9 
1 1 1 23 22 43 o 0.2965000      1.277000      186.3642      -78.5  
1 1 1 23 22 44 o -1.591000      1.275000      40.73422      -108.3 
1 1 1 23 22 45 o -2.579000      1.427000      79.87826      -74.0  
1 1 1 23 22 46 o -0.4266000     1.760000      13.04218      156.1  
1 1 1 23 22 47 o -0.2928000     1.928000      82.62214      131.6  
1 1 1 23 22 48 o -0.7293000     1.302000      ?             ?      
1 1 1 23 22 49 o -1.238000      1.233000      ?             ?      
1 1 1 23 22 50 o 1.675000       1.366000      ?             ?      
1 1 1 23 22 51 o 1.285000       1.456000      ?             ?      
1 1 1 23 22 52 o -0.1913000     1.331000      ?             ?      
1 1 1 23 22 53 o 1.569000       1.217000      ?             ?      
1 1 1 23 22 54 o 0.2266000      1.208000      ?             ?      
1 1 1 23 22 55 o 0.8232000      1.198000      ?             ?      
1 1 1 23 22 56 o 0.2056000      1.204000      ?             ?      
1 1 1 23 22 57 o 0.2940000      1.211000      ?             ?      
1 1 1 23 22 58 o 0.1790000      1.218000      ?             ?      
1 1 1 23 22 59 o 0.2603000      1.236000      ?             ?      
1 1 1 23 22 60 o 0.2183000E-01  1.226000      ?             ?      
1 1 1 23 22 61 o -1.405000      1.372000      ?             ?      
1 1 1 23 22 62 o 1.790000       1.887000      ?             ?      
1 1 1 23 22 63 o -2.745000      1.596000      ?             ?      
1 1 1 23 22 64 o -0.6973000     1.521000      ?             ?      
1 1 1 23 22 65 o 2.635000       1.424000      ?             ?      
1 1 1 23 23 0  o 0.2963000      1.439000      136.6522      90.0   
1 1 1 23 23 1  o -0.6490000E-01 1.101000      126.5316      -55.9  
1 1 1 23 23 2  o -1.071000      1.099000      96.83302      71.0   
1 1 1 23 23 3  o -0.2681000     1.003000      109.8491      85.4   
1 1 1 23 23 4  o 0.7692000      1.050000      102.0213      -94.4  
1 1 1 23 23 5  o -0.8457000     1.017000      109.7762      -43.9  
1 1 1 23 23 6  o -1.670000      1.030000      57.88791      -68.2  
1 1 1 23 23 7  o -0.1801000     0.9933000     140.5172      8.8    
1 1 1 23 23 8  o 0.2658000      1.039000      73.95406      -165.2 
1 1 1 23 23 9  o -0.8919000     1.028000      259.4222      2.7    
1 1 1 23 23 10 o 0.2773000      1.081000      225.1349      -146.9 
1 1 1 23 23 11 o -0.7382000     1.291000      82.87486      164.8  
1 1 1 23 23 12 f -0.6419000     1.293000      190.4146      -152.6 
1 1 1 23 23 13 o 0.6904000      1.085000      220.1769      -121.4 
1 1 1 23 23 14 o -1.204000      1.071000      47.01973      -57.8  
1 1 1 23 23 15 o 0.6431000      1.147000      131.7354      98.1   
1 1 1 23 23 16 o -1.164000      1.157000      84.25029      -118.8 
1 1 1 23 23 17 o -2.026000      1.351000      75.45704      117.6  
1 1 1 23 23 18 o -0.4448000     1.341000      58.74008      0.1    
1 1 1 23 23 19 o 1.475000       1.146000      213.5460      27.3   
1 1 1 23 23 20 o -0.2478000     1.130000      132.5574      32.5   
1 1 1 23 23 21 o 1.887000       1.135000      50.70677      85.6   
1 1 1 23 23 22 o 0.5101000      1.129000      195.2995      67.7   
1 1 1 23 23 23 o -0.4450000     1.051000      85.48962      -116.0 
1 1 1 23 23 24 o -0.3184000     1.062000      73.09695      -122.8 
1 1 1 23 23 25 o -0.1054000     1.340000      110.4755      58.1   
1 1 1 23 23 26 o -1.642000      1.412000      110.0208      -128.2 
1 1 1 23 23 27 o -0.4347000     1.492000      73.71128      -139.8 
1 1 1 23 23 28 o 0.5071000      1.485000      27.83719      -71.3  
1 1 1 23 23 29 o 1.273000       1.078000      268.6116      8.7    
1 1 1 23 23 30 o 0.1378000      1.032000      56.93860      78.4   
1 1 1 23 23 31 o -0.2260000     1.047000      48.57180      79.2   
1 1 1 23 23 32 o 1.313000       1.012000      133.0031      -135.6 
1 1 1 23 23 33 o -0.5625000     1.005000      146.3689      -178.1 
1 1 1 23 23 34 o -0.2473000     1.051000      72.97125      -156.2 
1 1 1 23 23 35 o 3.515000       1.117000      169.4556      4.2    
1 1 1 23 23 36 o -1.109000      1.161000      99.66042      -43.3  
1 1 1 23 23 37 o 1.160000       1.169000      148.0452      132.8  
1 1 1 23 23 38 o 1.461000       1.171000      124.6103      -0.4   
1 1 1 23 23 39 o 0.8909000      1.199000      106.0595      58.1   
1 1 1 23 23 40 o 0.2146000      1.494000      213.6644      137.9  
1 1 1 23 23 41 o 1.130000       1.220000      160.4677      83.4   
1 1 1 23 23 42 o 0.6343000      1.240000      129.7244      42.7   
1 1 1 23 23 43 o -0.4401000     1.253000      127.2308      177.1  
1 1 1 23 23 44 o 0.9738000      1.253000      88.57037      151.0  
1 1 1 23 23 45 o -0.5439000E-01 1.553000      118.0396      -32.3  
1 1 1 23 23 46 o 0.9677000      1.745000      46.94603      29.2   
1 1 1 23 23 47 o -0.7231000     1.840000      ?             ?      
1 1 1 23 23 48 o 3.960000       1.334000      ?             ?      
1 1 1 23 23 49 o 2.768000       1.230000      ?             ?      
1 1 1 23 23 50 o 0.4419000      1.337000      ?             ?      
1 1 1 23 23 51 o -0.3556000E-01 1.344000      ?             ?      
1 1 1 23 23 52 o 0.5881000      1.315000      ?             ?      
1 1 1 23 23 53 o 1.281000       1.317000      ?             ?      
1 1 1 23 23 54 o 0.6423000E-01  1.210000      ?             ?      
1 1 1 23 23 55 o -1.952000      1.185000      ?             ?      
1 1 1 23 23 56 o 3.136000       1.221000      ?             ?      
1 1 1 23 23 57 o 0.3901000      1.221000      ?             ?      
1 1 1 23 23 58 o 1.607000       1.215000      ?             ?      
1 1 1 23 23 59 o -1.423000      1.213000      ?             ?      
1 1 1 23 23 60 o -1.268000      1.345000      ?             ?      
1 1 1 23 23 61 o 0.4945000      1.590000      ?             ?      
1 1 1 23 23 62 o -2.591000      1.613000      ?             ?      
1 1 1 23 23 63 o 1.132000       1.281000      ?             ?      
1 1 1 23 23 64 o 0.2833000E-01  2.193000      ?             ?      
1 1 1 23 23 65 o -3.760000      2.177000      ?             ?      
1 1 1 23 24 0  o 4.009000       1.472000      296.3757      -90.0  
1 1 1 23 24 1  o -0.1577000     1.102000      272.1608      -128.4 
1 1 1 23 24 2  o 0.6563000      1.055000      40.74260      20.6   
1 1 1 23 24 3  o 0.7785000      1.003000      88.53546      47.0   
1 1 1 23 24 4  o 2.399000       0.9475000     117.4567      16.1   
1 1 1 23 24 5  o 3.026000       1.090000      325.0225      -75.6  
1 1 1 23 24 6  o -1.444000      1.024000      291.6751      126.9  
1 1 1 23 24 7  o 3.384000       0.9842000     92.28062      67.8   
1 1 1 23 24 8  o 1.976000       0.9900000     142.8733      71.1   
1 1 1 23 24 9  o 0.6226000      1.054000      276.7527      -55.1  
1 1 1 23 24 10 o 6.193000       1.137000      292.4398      -176.8 
1 1 1 23 24 11 o 1.052000       1.093000      132.0841      -59.3  
1 1 1 23 24 12 o -0.8699000     1.068000      94.67455      84.1   
1 1 1 23 24 13 o 0.9316000      1.087000      89.79472      -78.7  
1 1 1 23 24 14 o 3.584000       1.340000      360.0605      -119.5 
1 1 1 23 24 15 o 0.4061000      1.410000      109.6032      38.3   
1 1 1 23 24 16 o -1.092000      1.160000      184.3242      -150.3 
1 1 1 23 24 17 o -0.1179000     1.120000      96.74059      -21.0  
1 1 1 23 24 18 o -0.7685000E-01 1.106000      91.91427      27.8   
1 1 1 23 24 19 o -0.5654000     1.128000      50.46727      75.8   
1 1 1 23 24 20 o 1.740000       1.321000      54.10817      101.2  
1 1 1 23 24 21 o 1.047000       1.390000      41.64732      115.2  
1 1 1 23 24 22 o 0.6818000      1.078000      50.30604      28.8   
1 1 1 23 24 23 o 0.9894000      1.078000      120.9415      -121.6 
1 1 1 23 24 24 o -0.6630000     1.134000      81.34363      -105.5 
1 1 1 23 24 25 o 0.6094000      1.223000      152.8251      144.6  
1 1 1 23 24 26 o -0.6109000     1.553000      141.5502      -12.4  
1 1 1 23 24 27 o 2.907000       1.365000      240.9256      170.0  
1 1 1 23 24 28 o 1.966000       1.347000      239.2692      70.6   
1 1 1 23 24 29 o 0.7132000      1.339000      211.8964      -56.5  
1 1 1 23 24 30 o 2.612000       1.037000      246.5670      91.9   
1 1 1 23 24 31 o 0.5809000      1.023000      140.4891      -63.7  
1 1 1 23 24 32 o 2.034000       1.016000      90.99054      52.0   
1 1 1 23 24 33 o 1.735000       1.019000      34.66630      114.7  
1 1 1 23 24 34 o -2.038000      1.033000      21.43770      120.9  
1 1 1 23 24 35 o 0.8853000      1.092000      152.1061      -108.4 
1 1 1 23 24 36 o 1.665000       1.119000      184.5467      152.1  
1 1 1 23 24 37 o -1.399000      1.133000      35.70354      83.4   
1 1 1 23 24 38 o 1.998000       1.198000      177.6615      -172.4 
1 1 1 23 24 39 o 2.837000       1.198000      200.9906      -90.3  
1 1 1 23 24 40 o 2.270000       1.206000      207.7309      -120.4 
1 1 1 23 24 41 o -1.055000      1.224000      158.1272      -100.6 
1 1 1 23 24 42 o 4.094000       1.282000      250.3530      -96.3  
1 1 1 23 24 43 o 1.499000       1.231000      121.0853      -37.8  
1 1 1 23 24 44 o -1.430000      1.229000      73.70633      -13.5  
1 1 1 23 24 45 o -0.8444000E-01 1.373000      130.1746      -108.6 
1 1 1 23 24 46 o -3.451000      1.755000      ?             ?      
1 1 1 23 24 47 o 3.165000       1.692000      ?             ?      
1 1 1 23 24 48 o -1.529000      1.306000      ?             ?      
1 1 1 23 24 49 o -0.3874000     1.201000      ?             ?      
1 1 1 23 24 50 o -0.4267000     1.197000      ?             ?      
1 1 1 23 24 51 o 0.3418000      1.304000      ?             ?      
1 1 1 23 24 52 o 0.2221000      1.409000      ?             ?      
1 1 1 23 24 53 o 1.386000       1.317000      ?             ?      
1 1 1 23 24 54 o 1.093000       1.206000      ?             ?      
1 1 1 23 24 55 o 1.070000       1.199000      ?             ?      
1 1 1 23 24 56 f -2.247000      1.215000      ?             ?      
1 1 1 23 24 57 o 0.1539000      1.220000      ?             ?      
1 1 1 23 24 58 o 0.1047000      1.320000      ?             ?      
1 1 1 23 24 59 o 0.3267000E-01  1.225000      ?             ?      
1 1 1 23 24 60 o 0.5681000      1.567000      ?             ?      
1 1 1 23 24 61 o -0.4051000     1.572000      ?             ?      
1 1 1 23 24 62 o 0.1535000      1.417000      ?             ?      
1 1 1 23 24 63 o 0.3016000      1.266000      ?             ?      
1 1 1 23 24 64 o -0.9100000     1.405000      ?             ?      
1 1 1 23 25 0  o 2.661000       1.633000      243.0077      90.0   
1 1 1 23 25 1  o 0.6800000E-01  1.068000      120.5172      9.0    
1 1 1 23 25 2  o 5.243000       1.085000      335.6695      98.0   
1 1 1 23 25 3  o 1.461000       1.058000      166.3299      93.9   
1 1 1 23 25 4  o 3.256000       0.9633000     332.0545      -174.6 
1 1 1 23 25 5  o 9.253000       1.128000      516.5370      156.2  
1 1 1 23 25 6  o 1.860000       1.020000      187.7259      1.6    
1 1 1 23 25 7  o 1.637000       1.006000      233.7403      -169.0 
1 1 1 23 25 8  o 0.1141000      0.9708000     133.8701      130.8  
1 1 1 23 25 9  o 1.886000       1.024000      210.9357      -57.3  
1 1 1 23 25 10 o 1.815000       1.046000      241.3211      -118.2 
1 1 1 23 25 11 o -0.3007000     1.053000      23.78658      124.6  
1 1 1 23 25 12 o 2.767000       1.093000      205.2754      107.1  
1 1 1 23 25 13 o 0.9395000      1.111000      93.32774      -150.5 
1 1 1 23 25 14 o 6.978000       1.158000      314.4359      -159.6 
1 1 1 23 25 15 o 3.854000       1.082000      296.2950      -23.4  
1 1 1 23 25 16 o -0.1579000     1.154000      121.2114      84.1   
1 1 1 23 25 17 o 3.377000       1.386000      353.4794      44.1   
1 1 1 23 25 18 o 5.583000       1.363000      387.1589      24.3   
1 1 1 23 25 19 o 4.684000       1.150000      359.1336      54.4   
1 1 1 23 25 20 o 10.88000       1.218000      440.2774      77.4   
1 1 1 23 25 21 o 5.918000       1.149000      304.0038      86.2   
1 1 1 23 25 22 o 1.309000       1.173000      58.79928      0.9    
1 1 1 23 25 23 o 3.352000       1.171000      223.2380      -50.0  
1 1 1 23 25 24 o 1.417000       1.276000      267.3601      -81.3  
1 1 1 23 25 25 o 1.386000       1.344000      329.6687      31.4   
1 1 1 23 25 26 o 1.272000       1.368000      200.9677      -161.2 
1 1 1 23 25 27 o 0.4350000E-01  1.731000      71.09308      171.6  
1 1 1 23 25 28 o 1.199000       1.367000      136.8641      -9.0   
1 1 1 23 25 29 o 0.9655000      1.160000      95.99280      32.0   
1 1 1 23 25 30 o 6.156000       1.079000      316.8915      -53.3  
1 1 1 23 25 31 o 2.268000       0.9998000     247.4772      -158.8 
1 1 1 23 25 32 o 4.021000       1.044000      201.9837      67.8   
1 1 1 23 25 33 o 4.957000       1.072000      237.4236      169.6  
1 1 1 23 25 34 o 4.094000       1.060000      139.1475      -54.4  
1 1 1 23 25 35 o 6.947000       1.104000      353.8251      -60.6  
1 1 1 23 25 36 o -0.1106000     1.090000      32.86850      103.2  
1 1 1 23 25 37 o 0.8472000      1.136000      58.62105      -119.4 
1 1 1 23 25 38 o 8.876000       1.194000      366.7681      24.6   
1 1 1 23 25 39 o 3.784000       1.253000      356.7598      8.3    
1 1 1 23 25 40 o 2.628000       1.200000      233.6415      0.1    
1 1 1 23 25 41 o 1.984000       1.242000      272.5135      -11.8  
1 1 1 23 25 42 o 2.370000       1.261000      228.4650      113.8  
1 1 1 23 25 43 o 2.188000       1.227000      151.2920      -147.1 
1 1 1 23 25 44 o 2.096000       1.283000      262.8835      119.3  
1 1 1 23 25 45 o 1.524000       1.532000      149.6486      44.6   
1 1 1 23 25 46 o -0.8696000     1.604000      ?             ?      
1 1 1 23 25 47 o 3.368000       1.547000      ?             ?      
1 1 1 23 25 48 o 0.1726000      1.310000      ?             ?      
1 1 1 23 25 49 o -0.9593000     1.289000      ?             ?      
1 1 1 23 25 50 o -0.6345000     1.184000      ?             ?      
1 1 1 23 25 51 o 1.505000       1.298000      ?             ?      
1 1 1 23 25 52 o -0.5921000     1.288000      ?             ?      
1 1 1 23 25 53 o 0.2279000      1.402000      ?             ?      
1 1 1 23 25 54 o 1.639000       1.408000      ?             ?      
1 1 1 23 25 55 o 1.438000       1.196000      ?             ?      
1 1 1 23 25 56 o 2.977000       1.349000      ?             ?      
1 1 1 23 25 57 o 3.702000       1.252000      ?             ?      
1 1 1 23 25 58 o 0.5584000E-01  1.330000      ?             ?      
1 1 1 23 25 59 o -0.4636000     1.233000      ?             ?      
1 1 1 23 25 60 o 0.7299000      1.378000      ?             ?      
1 1 1 23 25 61 o 1.357000       1.419000      ?             ?      
1 1 1 23 25 62 o 1.090000       1.418000      ?             ?      
1 1 1 23 25 63 o -1.490000      1.745000      ?             ?      
1 1 1 23 25 64 o -0.1768000     1.450000      ?             ?      
1 1 1 23 26 0  o 3.098000       1.647000      350.2157      -90.0  
1 1 1 23 26 1  o 6.273000       1.070000      434.0394      -154.8 
1 1 1 23 26 2  o 0.8261000      1.039000      236.6369      -146.8 
1 1 1 23 26 3  o 5.113000       1.086000      353.5774      -91.9  
1 1 1 23 26 4  o -0.3685000     0.9162000     78.18218      -116.8 
1 1 1 23 26 5  o 3.601000       0.9346000     293.4089      -63.4  
1 1 1 23 26 6  o 0.8298000      0.9858000     167.4625      -91.4  
1 1 1 23 26 7  o 2.284000       1.010000      288.5846      58.0   
1 1 1 23 26 8  o 1.071000       1.003000      232.6397      -52.3  
1 1 1 23 26 9  o 4.475000       1.038000      304.2078      -133.8 
1 1 1 23 26 10 o 2.700000       1.049000      23.56775      -55.4  
1 1 1 23 26 11 o 7.534000       1.105000      300.0801      -67.9  
1 1 1 23 26 12 f 1.996000       1.058000      153.1803      -40.3  
1 1 1 23 26 13 o 21.55000       1.243000      608.5267      -78.2  
1 1 1 23 26 14 o 0.2221000      1.068000      96.78618      -81.9  
1 1 1 23 26 15 o 4.211000       1.069000      311.4422      133.0  
1 1 1 23 26 16 o 3.226000       1.180000      340.0219      125.0  
1 1 1 23 26 17 o 5.205000       1.184000      371.7842      -147.0 
1 1 1 23 26 18 o 2.558000       1.116000      398.0374      178.9  
1 1 1 23 26 19 o 2.259000       1.138000      122.2932      150.1  
1 1 1 23 26 20 o 3.069000       1.353000      270.6274      -36.9  
1 1 1 23 26 21 o 4.162000       1.318000      412.3796      134.7  
1 1 1 23 26 22 o 0.1833000      1.091000      216.4463      115.3  
1 1 1 23 26 23 o 0.7852000      1.166000      113.5655      -27.9  
1 1 1 23 26 24 o 3.371000       1.156000      32.36312      -64.4  
1 1 1 23 26 25 o 2.048000       1.302000      210.4918      -132.8 
1 1 1 23 26 26 o -0.2558000     1.427000      125.7897      -177.5 
1 1 1 23 26 27 o 1.626000       1.391000      235.8390      -167.7 
1 1 1 23 26 28 o 1.605000       1.279000      211.4104      -38.0  
1 1 1 23 26 29 o 1.244000       1.123000      123.3474      150.8  
1 1 1 23 26 30 o 3.379000       1.163000      350.1044      154.1  
1 1 1 23 26 31 o 1.237000       1.034000      151.2411      -77.6  
1 1 1 23 26 32 o 0.8930000      1.022000      176.3856      59.0   
1 1 1 23 26 33 o 3.917000       1.057000      248.4843      -73.7  
1 1 1 23 26 34 o 9.345000       1.104000      412.1055      -44.1  
1 1 1 23 26 35 o 2.251000       1.055000      124.1839      149.3  
1 1 1 23 26 36 o 0.6102000      1.055000      202.6260      61.2   
1 1 1 23 26 37 o 6.994000       1.127000      332.6241      169.8  
1 1 1 23 26 38 o 1.332000       1.098000      178.1839      141.4  
1 1 1 23 26 39 o -0.3744000     1.114000      154.6560      87.4   
1 1 1 23 26 40 o 1.275000       1.206000      170.5537      -161.9 
1 1 1 23 26 41 o 3.905000       1.237000      205.2064      -122.5 
1 1 1 23 26 42 o 4.079000       1.264000      380.2222      -104.8 
1 1 1 23 26 43 o 1.777000       1.244000      108.5013      -154.7 
1 1 1 23 26 44 o -0.1889000     1.326000      59.29646      7.2    
1 1 1 23 26 45 o -1.570000      1.457000      ?             ?      
1 1 1 23 26 46 o 4.533000       1.323000      ?             ?      
1 1 1 23 26 47 o -1.606000      1.393000      ?             ?      
1 1 1 23 26 48 o 2.720000       1.478000      ?             ?      
1 1 1 23 26 49 o 0.3512000      1.305000      ?             ?      
1 1 1 23 26 50 o -1.645000      1.184000      ?             ?      
1 1 1 23 26 51 o 2.541000       1.175000      ?             ?      
1 1 1 23 26 52 o 3.401000       1.321000      ?             ?      
1 1 1 23 26 53 o 1.683000       1.409000      ?             ?      
1 1 1 23 26 54 o -1.839000      1.285000      ?             ?      
1 1 1 23 26 55 f 1.161000       1.205000      ?             ?      
1 1 1 23 26 56 o -0.7082000     1.319000      ?             ?      
1 1 1 23 26 57 o 0.3228000      1.216000      ?             ?      
1 1 1 23 26 58 o -1.863000      1.223000      ?             ?      
1 1 1 23 26 59 o 1.429000       1.380000      ?             ?      
1 1 1 23 26 60 o 0.3058000E-01  1.938000      ?             ?      
1 1 1 23 26 61 o -0.6345000     1.603000      ?             ?      
1 1 1 23 26 62 o 1.718000       1.436000      ?             ?      
1 1 1 23 26 63 o 0.6407000      1.283000      ?             ?      
1 1 1 23 27 0  o 3.362000       1.626000      87.32938      -90.0  
1 1 1 23 27 1  o 7.326000       1.095000      387.1546      96.9   
1 1 1 23 27 2  o 8.736000       1.083000      425.9284      127.9  
1 1 1 23 27 3  o 4.788000       1.000000      401.5470      -86.2  
1 1 1 23 27 4  f -0.4168000     0.8941000     167.1127      43.9   
1 1 1 23 27 5  o 4.782000       0.9190000     240.0961      44.0   
1 1 1 23 27 6  o 1.911000       0.9869000     259.8737      40.1   
1 1 1 23 27 7  o 0.2179000      0.9923000     132.3799      136.3  
1 1 1 23 27 8  o 4.399000       1.034000      283.3316      99.3   
1 1 1 23 27 9  o 6.579000       1.089000      292.7292      15.8   
1 1 1 23 27 10 o 5.419000       1.070000      237.4930      -63.2  
1 1 1 23 27 11 o 7.746000       1.085000      346.3368      57.0   
1 1 1 23 27 12 o -0.5060000     1.048000      176.9093      143.9  
1 1 1 23 27 13 o 4.444000       1.080000      152.1427      123.5  
1 1 1 23 27 14 o 4.046000       1.050000      309.4742      -109.2 
1 1 1 23 27 15 o 5.262000       1.051000      277.0822      89.8   
1 1 1 23 27 16 o 0.8813000      1.116000      141.4554      -152.2 
1 1 1 23 27 17 o 13.09000       1.222000      431.4595      -0.8   
1 1 1 23 27 18 o 2.389000       1.122000      313.0484      65.1   
1 1 1 23 27 19 o 13.36000       1.243000      525.2726      120.8  
1 1 1 23 27 20 o 9.696000       1.192000      272.6652      158.5  
1 1 1 23 27 21 o 3.547000       1.149000      267.0953      3.0    
1 1 1 23 27 22 o 2.942000       1.168000      216.6610      -137.8 
1 1 1 23 27 23 o 4.929000       1.362000      251.7992      -13.4  
1 1 1 23 27 24 o 6.899000       1.525000      278.6814      -54.9  
1 1 1 23 27 25 o 0.2670000      1.362000      217.9884      54.7   
1 1 1 23 27 26 o -0.9313000     1.427000      63.00723      -40.8  
1 1 1 23 27 27 o 4.383000       1.162000      278.6759      -53.4  
1 1 1 23 27 28 o 2.495000       1.237000      250.4900      -82.3  
1 1 1 23 27 29 o 6.804000       1.236000      417.4763      -6.2   
1 1 1 23 27 30 o 2.218000       1.201000      92.46162      20.6   
1 1 1 23 27 31 o 2.084000       1.131000      189.0910      77.8   
1 1 1 23 27 32 o 18.19000       1.170000      691.2823      80.9   
1 1 1 23 27 33 o 2.118000       1.071000      142.9243      99.8   
1 1 1 23 27 34 o 5.085000       1.099000      288.5001      -34.2  
1 1 1 23 27 35 o 4.676000       1.065000      260.8643      174.3  
1 1 1 23 27 36 o 2.601000       1.058000      232.0652      -88.3  
1 1 1 23 27 37 o -0.5205000     1.066000      111.8689      -111.1 
1 1 1 23 27 38 o 0.6915000      1.089000      122.0512      -65.0  
1 1 1 23 27 39 o 16.71000       1.245000      565.5507      -40.8  
1 1 1 23 27 40 o 0.7698000      1.152000      165.6198      40.8   
1 1 1 23 27 41 o 6.438000       1.247000      425.3293      -15.3  
1 1 1 23 27 42 o 5.413000       1.244000      435.2528      -138.8 
1 1 1 23 27 43 o 3.129000       1.249000      293.9863      -131.7 
1 1 1 23 27 44 o 0.2667000      1.407000      ?             ?      
1 1 1 23 27 45 o 1.204000       1.311000      ?             ?      
1 1 1 23 27 46 o 3.368000       1.224000      ?             ?      
1 1 1 23 27 47 o 2.596000       1.398000      ?             ?      
1 1 1 23 27 48 o 0.1953000      1.470000      ?             ?      
1 1 1 23 27 49 o 1.239000       1.312000      ?             ?      
1 1 1 23 27 50 o -0.4597000E-01 1.195000      ?             ?      
1 1 1 23 27 51 o 1.809000       1.191000      ?             ?      
1 1 1 23 27 52 o 1.443000       1.297000      ?             ?      
1 1 1 23 27 53 o 0.3725000      1.313000      ?             ?      
1 1 1 23 27 54 o 0.1820000      1.402000      ?             ?      
1 1 1 23 27 55 f 0.5927000      1.306000      ?             ?      
1 1 1 23 27 56 o -0.8634000     1.192000      ?             ?      
1 1 1 23 27 57 o 0.4841000      1.211000      ?             ?      
1 1 1 23 27 58 o 0.9908000      1.340000      ?             ?      
1 1 1 23 27 59 o 0.5687000      1.557000      ?             ?      
1 1 1 23 27 60 o 2.093000       1.687000      ?             ?      
1 1 1 23 27 61 f 0.5911000      1.314000      ?             ?      
1 1 1 23 27 62 o -0.1018000     1.266000      ?             ?      
1 1 1 23 27 63 o -0.3871000E-01 1.283000      ?             ?      
1 1 1 23 28 0  o 5.177000       1.629000      290.2302      -90.0  
1 1 1 23 28 1  o 5.138000       1.090000      388.8268      169.0  
1 1 1 23 28 2  o 8.054000       1.081000      460.6541      -78.3  
1 1 1 23 28 3  o 6.302000       1.005000      308.7929      95.8   
1 1 1 23 28 4  o 23.51000       1.086000      541.9054      20.7   
1 1 1 23 28 5  o 0.7739000      0.8930000     177.3500      176.7  
1 1 1 23 28 6  o -0.1453000     1.003000      231.6074      -66.3  
1 1 1 23 28 7  o 5.631000       1.025000      343.7667      156.9  
1 1 1 23 28 8  o 5.533000       1.020000      231.5648      -131.7 
1 1 1 23 28 9  o 2.386000       1.095000      171.1263      -95.9  
1 1 1 23 28 10 o 14.64000       1.212000      529.4521      -88.1  
1 1 1 23 28 11 o 2.679000       1.046000      199.2517      -17.2  
1 1 1 23 28 12 o 6.940000       1.123000      475.4375      174.7  
1 1 1 23 28 13 o 41.97000       1.459000      879.9672      -107.1 
1 1 1 23 28 14 o 4.462000       1.053000      183.1324      121.0  
1 1 1 23 28 15 o 1.578000       1.051000      50.23767      152.4  
1 1 1 23 28 16 o 25.06000       1.337000      705.4291      152.4  
1 1 1 23 28 17 o 6.641000       1.144000      245.9825      -67.2  
1 1 1 23 28 18 o 1.892000       1.103000      193.8472      4.4    
1 1 1 23 28 19 o 6.342000       1.115000      272.9787      -175.0 
1 1 1 23 28 20 o 5.559000       1.101000      324.3727      -134.5 
1 1 1 23 28 21 o -0.6047000     1.085000      82.56656      -20.7  
1 1 1 23 28 22 o 2.081000       1.192000      233.2042      65.6   
1 1 1 23 28 23 o 7.429000       1.430000      326.1270      -55.3  
1 1 1 23 28 24 o -0.4280000     1.363000      245.0446      149.3  
1 1 1 23 28 25 o 1.159000       1.441000      129.9756      26.1   
1 1 1 23 28 26 o 0.5926000      1.266000      166.7502      -106.9 
1 1 1 23 28 27 o 3.452000       1.205000      178.5890      92.2   
1 1 1 23 28 28 o 2.337000       1.087000      366.0511      134.6  
1 1 1 23 28 29 o 8.012000       1.298000      366.5528      129.1  
1 1 1 23 28 30 o 5.415000       1.153000      287.6435      128.2  
1 1 1 23 28 31 o 5.353000       1.163000      251.2292      -173.1 
1 1 1 23 28 32 o 0.6639000E-02  1.234000      34.78243      -4.5   
1 1 1 23 28 33 o 3.233000       1.083000      297.0397      -87.1  
1 1 1 23 28 34 o 1.303000       1.042000      185.5299      21.4   
1 1 1 23 28 35 o 1.700000       1.061000      110.8940      92.2   
1 1 1 23 28 36 o 1.198000       1.120000      171.1880      -98.4  
1 1 1 23 28 37 o 3.093000       1.157000      186.8037      2.9    
1 1 1 23 28 38 o 3.358000       1.111000      212.2372      32.9   
1 1 1 23 28 39 o 4.517000       1.130000      356.6385      158.9  
1 1 1 23 28 40 o 3.479000       1.139000      214.9636      -35.8  
1 1 1 23 28 41 o 4.278000       1.154000      318.7066      -105.0 
1 1 1 23 28 42 o 6.596000       1.269000      424.2584      -59.0  
1 1 1 23 28 43 o 2.842000       1.414000      ?             ?      
1 1 1 23 28 44 o -0.2713000     1.452000      ?             ?      
1 1 1 23 28 45 o 1.776000       1.232000      ?             ?      
1 1 1 23 28 46 o 5.120000       1.209000      ?             ?      
1 1 1 23 28 47 o -0.2016000     1.365000      ?             ?      
1 1 1 23 28 48 o 3.699000       1.386000      ?             ?      
1 1 1 23 28 49 o 0.2544000      1.446000      ?             ?      
1 1 1 23 28 50 o 2.504000       1.385000      ?             ?      
1 1 1 23 28 51 o 1.451000       1.300000      ?             ?      
1 1 1 23 28 52 o 5.837000       1.333000      ?             ?      
1 1 1 23 28 53 o -0.2016000     1.292000      ?             ?      
1 1 1 23 28 54 o 0.2975000      1.304000      ?             ?      
1 1 1 23 28 55 o 0.2230000      1.300000      ?             ?      
1 1 1 23 28 56 o 0.6824000      1.312000      ?             ?      
1 1 1 23 28 57 o 0.9071000      1.319000      ?             ?      
1 1 1 23 28 58 o 0.7214000      1.590000      ?             ?      
1 1 1 23 28 59 o -1.035000      1.559000      ?             ?      
1 1 1 23 28 60 o 1.941000       1.599000      ?             ?      
1 1 1 23 28 61 o -1.262000      1.248000      ?             ?      
1 1 1 23 28 62 o 1.833000       1.776000      ?             ?      
1 1 1 23 29 0  o 0.2705000      1.411000      212.2215      -90.0  
1 1 1 23 29 1  o 6.384000       1.289000      375.8574      134.7  
1 1 1 23 29 2  o 20.17000       1.212000      395.1748      -135.7 
1 1 1 23 29 3  o 17.38000       1.150000      664.7908      18.3   
1 1 1 23 29 4  o 4.742000       0.9669000     325.7110      -168.7 
1 1 1 23 29 5  o 3.012000       0.8990000     225.2667      119.1  
1 1 1 23 29 6  o 5.112000       1.050000      352.8857      -38.2  
1 1 1 23 29 7  o 19.19000       1.126000      543.9863      28.0   
1 1 1 23 29 8  o -0.4368000E-01 1.059000      151.5547      44.8   
1 1 1 23 29 9  o 11.45000       1.144000      413.4318      27.1   
1 1 1 23 29 10 o 16.86000       1.248000      495.9233      -81.5  
1 1 1 23 29 11 o 11.69000       1.218000      320.9850      -13.3  
1 1 1 23 29 12 o 0.6125000      1.022000      219.4442      77.3   
1 1 1 23 29 13 o 10.95000       1.112000      543.1110      -120.5 
1 1 1 23 29 14 o 13.00000       1.181000      434.3825      -56.2  
1 1 1 23 29 15 o 0.1908000      1.021000      147.3779      150.5  
1 1 1 23 29 16 o 5.409000       1.127000      500.6147      142.4  
1 1 1 23 29 17 o 1.001000       1.088000      222.5472      -3.3   
1 1 1 23 29 18 o -0.6481000     1.080000      183.7413      -166.3 
1 1 1 23 29 19 o 8.171000       1.110000      412.2485      124.3  
1 1 1 23 29 20 o 11.60000       1.143000      413.6812      -38.0  
1 1 1 23 29 21 o 3.325000       1.073000      212.6022      6.4    
1 1 1 23 29 22 o 1.149000       1.252000      106.3362      94.3   
1 1 1 23 29 23 o 1.780000       1.341000      133.6325      5.7    
1 1 1 23 29 24 o 8.302000       1.260000      503.1759      -37.0  
1 1 1 23 29 25 o -0.4988000     1.183000      25.95621      112.9  
1 1 1 23 29 26 o 1.207000       1.387000      206.8148      -145.4 
1 1 1 23 29 27 o 1.483000       1.161000      309.0522      -69.3  
1 1 1 23 29 28 o 2.907000       1.118000      351.2242      136.7  
1 1 1 23 29 29 o 1.610000       1.153000      175.9699      -52.5  
1 1 1 23 29 30 o 3.377000       1.344000      72.54674      179.8  
1 1 1 23 29 31 o 1.658000       1.165000      31.07490      71.7   
1 1 1 23 29 32 o 7.675000       1.213000      315.3869      68.5   
1 1 1 23 29 33 o 6.984000       1.139000      279.9961      81.0   
1 1 1 23 29 34 o 1.235000       1.059000      137.9763      157.5  
1 1 1 23 29 35 o 2.203000       1.115000      220.9927      72.0   
1 1 1 23 29 36 o 0.8211000      1.134000      115.4667      -47.2  
1 1 1 23 29 37 o 11.57000       1.355000      411.5737      -149.5 
1 1 1 23 29 38 o 1.527000       1.125000      234.2868      79.1   
1 1 1 23 29 39 o 3.986000       1.171000      290.1550      -6.4   
1 1 1 23 29 40 o 1.707000       1.166000      229.7258      10.2   
1 1 1 23 29 41 o 0.5694000      1.129000      280.6886      -12.7  
1 1 1 23 29 42 o 0.9370000      1.172000      ?             ?      
1 1 1 23 29 43 o 4.722000       1.388000      ?             ?      
1 1 1 23 29 44 o 5.980000       1.319000      ?             ?      
1 1 1 23 29 45 o 0.5160000      1.168000      ?             ?      
1 1 1 23 29 46 o -0.2324000     1.167000      ?             ?      
1 1 1 23 29 47 o 6.873000       1.344000      ?             ?      
1 1 1 23 29 48 o 6.371000       1.732000      ?             ?      
1 1 1 23 29 49 o 0.2472000      1.616000      ?             ?      
1 1 1 23 29 50 o -0.7669000E-01 1.483000      ?             ?      
1 1 1 23 29 51 o 7.171000       1.250000      ?             ?      
1 1 1 23 29 52 o 0.4736000      1.177000      ?             ?      
1 1 1 23 29 53 o 3.132000       1.212000      ?             ?      
1 1 1 23 29 54 o -0.2251000     1.492000      ?             ?      
1 1 1 23 29 55 o 1.210000       1.632000      ?             ?      
1 1 1 23 29 56 o 1.228000       1.729000      ?             ?      
1 1 1 23 29 57 o 0.9485000      1.219000      ?             ?      
1 1 1 23 29 58 o -0.4788000     1.355000      ?             ?      
1 1 1 23 29 59 o 0.7837000      1.395000      ?             ?      
1 1 1 23 29 60 o 1.064000       1.308000      ?             ?      
1 1 1 23 29 61 o 0.2539000E-01  1.263000      ?             ?      
1 1 1 23 29 62 o -0.7237000     1.370000      ?             ?      
1 1 1 23 30 0  o 1.024000       1.437000      128.0106      90.0   
1 1 1 23 30 1  o 11.49000       1.163000      474.9833      -158.0 
1 1 1 23 30 2  o 8.387000       1.050000      561.2549      -77.7  
1 1 1 23 30 3  o 5.897000       0.9919000     300.5754      33.2   
1 1 1 23 30 4  o 1.703000       0.9583000     238.1005      -45.2  
1 1 1 23 30 5  o 2.175000       0.8933000     356.0186      15.5   
1 1 1 23 30 6  o 4.793000       1.033000      330.6518      125.9  
1 1 1 23 30 7  o 6.087000       1.020000      469.8138      116.1  
1 1 1 23 30 8  o 14.37000       1.150000      503.1594      -158.3 
1 1 1 23 30 9  o 7.327000       1.111000      246.5024      61.3   
1 1 1 23 30 10 o -1.162000      1.085000      228.1530      -81.4  
1 1 1 23 30 11 o -0.5301000     1.082000      85.42905      100.9  
1 1 1 23 30 12 o 7.006000       1.116000      405.6221      -136.5 
1 1 1 23 30 13 o 1.552000       1.003000      234.2699      -0.1   
1 1 1 23 30 14 o 1.893000       1.003000      200.4498      55.6   
1 1 1 23 30 15 o 6.339000       1.016000      307.5692      -145.3 
1 1 1 23 30 16 o 5.042000       1.107000      350.6472      55.9   
1 1 1 23 30 17 o 4.071000       1.085000      260.5452      -47.5  
1 1 1 23 30 18 o 16.59000       1.228000      503.3918      57.6   
1 1 1 23 30 19 o 20.76000       1.302000      594.0790      155.4  
1 1 1 23 30 20 o 3.681000       1.118000      302.8604      162.6  
1 1 1 23 30 21 o 3.707000       1.232000      357.3545      30.6   
1 1 1 23 30 22 o 0.2022000      1.202000      171.9560      160.8  
1 1 1 23 30 23 o 10.20000       1.217000      501.5877      59.9   
1 1 1 23 30 24 o 0.4659000      1.157000      115.4962      32.6   
1 1 1 23 30 25 o 4.533000       1.302000      330.8078      23.2   
1 1 1 23 30 26 o 12.98000       1.360000      504.5480      -146.7 
1 1 1 23 30 27 o 0.5564000      1.221000      107.8749      -174.5 
1 1 1 23 30 28 o 17.46000       1.506000      512.3633      42.5   
1 1 1 23 30 29 o 2.025000       1.178000      201.0656      38.6   
1 1 1 23 30 30 o -0.8059000     1.240000      33.43707      6.8    
1 1 1 23 30 31 o 16.97000       1.479000      479.4184      -176.1 
1 1 1 23 30 32 o -1.962000      1.271000      134.0121      -58.4  
1 1 1 23 30 33 o 2.863000       1.276000      232.8352      -125.2 
1 1 1 23 30 34 o 3.614000       1.079000      259.3382      80.6   
1 1 1 23 30 35 o 2.669000       1.080000      216.8583      -6.6   
1 1 1 23 30 36 o 1.568000       1.086000      189.5119      -101.2 
1 1 1 23 30 37 o 4.858000       1.129000      335.5080      -152.4 
1 1 1 23 30 38 o 1.285000       1.165000      175.0642      5.8    
1 1 1 23 30 39 o 1.522000       1.170000      240.9641      158.5  
1 1 1 23 30 40 o 0.4623000      1.112000      310.4722      -14.1  
1 1 1 23 30 41 o 3.392000       1.154000      ?             ?      
1 1 1 23 30 42 o 4.441000       1.297000      ?             ?      
1 1 1 23 30 43 o -0.1389000     1.268000      ?             ?      
1 1 1 23 30 44 o 3.064000       1.162000      ?             ?      
1 1 1 23 30 45 o 3.656000       1.283000      ?             ?      
1 1 1 23 30 46 o 0.9007000      1.267000      ?             ?      
1 1 1 23 30 47 o 0.1769000E-01  1.278000      ?             ?      
1 1 1 23 30 48 o 4.794000       1.480000      ?             ?      
1 1 1 23 30 49 o 2.967000       1.447000      ?             ?      
1 1 1 23 30 50 o 0.6427000      1.293000      ?             ?      
1 1 1 23 30 51 o 2.230000       1.289000      ?             ?      
1 1 1 23 30 52 o -0.6671000     1.267000      ?             ?      
1 1 1 23 30 53 o 3.104000       1.374000      ?             ?      
1 1 1 23 30 54 o 2.464000       1.463000      ?             ?      
1 1 1 23 30 55 o 2.666000       1.330000      ?             ?      
1 1 1 23 30 56 o -0.5516000     1.327000      ?             ?      
1 1 1 23 30 57 o -4.013000      1.985000      ?             ?      
1 1 1 23 30 58 o -0.5095000     1.472000      ?             ?      
1 1 1 23 30 59 o -0.6384000     1.359000      ?             ?      
1 1 1 23 30 60 o 2.588000       1.263000      ?             ?      
1 1 1 23 30 61 o 0.1080000      1.256000      ?             ?      
1 1 1 23 31 0  o 18.79000       1.783000      774.5456      -90.0  
1 1 1 23 31 1  o 0.2488000      1.076000      41.51328      143.4  
1 1 1 23 31 2  o 1.759000       0.9975000     84.18315      -29.0  
1 1 1 23 31 3  o 20.45000       1.185000      647.3569      45.9   
1 1 1 23 31 4  o 18.31000       1.166000      569.0690      161.6  
1 1 1 23 31 5  o 11.43000       0.9623000     342.1908      -47.2  
1 1 1 23 31 6  o 2.007000       0.9047000     147.9651      -22.1  
1 1 1 23 31 7  o 6.328000       1.200000      398.3395      -166.6 
1 1 1 23 31 8  o 12.31000       1.142000      451.3088      157.9  
1 1 1 23 31 9  o 2.598000       1.065000      244.0753      -101.4 
1 1 1 23 31 10 o 6.301000       1.095000      282.2286      -58.0  
1 1 1 23 31 11 o 2.626000       1.067000      388.8473      43.3   
1 1 1 23 31 12 o 0.9068000      1.045000      349.5263      -167.5 
1 1 1 23 31 13 o 6.251000       1.091000      381.2611      -39.8  
1 1 1 23 31 14 o 4.638000       0.9996000     442.4236      4.6    
1 1 1 23 31 15 o 2.935000       1.009000      333.1035      144.6  
1 1 1 23 31 16 f 10.09000       1.179000      482.1378      155.6  
1 1 1 23 31 17 o 1.340000       1.104000      231.4739      172.9  
1 1 1 23 31 18 o 5.706000       1.155000      319.3487      -117.7 
1 1 1 23 31 19 o 9.655000       1.178000      521.4512      143.0  
1 1 1 23 31 20 o 10.31000       1.179000      631.6642      -57.2  
1 1 1 23 31 21 o 3.150000       1.266000      263.8614      4.4    
1 1 1 23 31 22 o 1.849000       1.259000      297.3750      86.0   
1 1 1 23 31 23 o 0.3687000      1.149000      128.8985      108.9  
1 1 1 23 31 24 o 2.103000       1.144000      112.7183      27.4   
1 1 1 23 31 25 o 6.382000       1.313000      287.2772      14.5   
1 1 1 23 31 26 o 2.321000       1.168000      137.4302      -89.5  
1 1 1 23 31 27 o 10.77000       1.192000      490.8466      130.6  
1 1 1 23 31 28 o 3.327000       1.232000      183.1514      84.7   
1 1 1 23 31 29 o 0.8138000      1.059000      142.4204      139.3  
1 1 1 23 31 30 o 1.896000       1.114000      199.6625      -169.1 
1 1 1 23 31 31 o 8.167000       1.439000      377.6158      49.0   
1 1 1 23 31 32 o 0.2474000      1.315000      218.1936      -30.1  
1 1 1 23 31 33 o 4.829000       1.266000      348.4020      121.7  
1 1 1 23 31 34 o 2.221000       1.272000      213.4090      24.1   
1 1 1 23 31 35 o 3.671000       1.130000      283.3430      -45.3  
1 1 1 23 31 36 o 0.4683000      1.120000      145.4125      163.8  
1 1 1 23 31 37 o 1.411000       1.093000      257.0650      155.1  
1 1 1 23 31 38 o 0.6678000      1.101000      186.8652      -45.0  
1 1 1 23 31 39 o 1.606000       1.116000      185.4876      94.4   
1 1 1 23 31 40 o 2.706000       1.136000      ?             ?      
1 1 1 23 31 41 o -0.4577000     1.178000      ?             ?      
1 1 1 23 31 42 o 2.414000       1.269000      ?             ?      
1 1 1 23 31 43 o -0.5563000     1.267000      ?             ?      
1 1 1 23 31 44 o 2.257000       1.326000      ?             ?      
1 1 1 23 31 45 o 3.095000       1.310000      ?             ?      
1 1 1 23 31 46 o 0.3905000      1.232000      ?             ?      
1 1 1 23 31 47 o 12.45000       1.250000      ?             ?      
1 1 1 23 31 48 o -0.2736000     1.157000      ?             ?      
1 1 1 23 31 49 o 0.6417000E-01  1.308000      ?             ?      
1 1 1 23 31 50 o 3.452000       1.435000      ?             ?      
1 1 1 23 31 51 o 5.601000       1.451000      ?             ?      
1 1 1 23 31 52 o 2.479000       1.341000      ?             ?      
1 1 1 23 31 53 o 1.955000       1.196000      ?             ?      
1 1 1 23 31 54 o -1.069000      1.173000      ?             ?      
1 1 1 23 31 55 o 2.088000       1.316000      ?             ?      
1 1 1 23 31 56 o 2.681000       1.507000      ?             ?      
1 1 1 23 31 57 o 0.2148000      1.520000      ?             ?      
1 1 1 23 31 58 o 0.7279000      1.382000      ?             ?      
1 1 1 23 31 59 o 0.3010000      1.270000      ?             ?      
1 1 1 23 31 60 o -1.552000      1.250000      ?             ?      
1 1 1 23 32 0  o 9.454000       1.498000      428.8407      -90.0  
1 1 1 23 32 1  o 0.4865000      0.9943000     219.3479      158.1  
1 1 1 23 32 2  o 2.470000       0.9679000     180.9655      -151.5 
1 1 1 23 32 3  o -0.5296000     0.9245000     253.2041      54.9   
1 1 1 23 32 4  o -1.391000      0.9371000     97.75470      43.7   
1 1 1 23 32 5  o 2.933000       0.8999000     339.8564      -83.2  
1 1 1 23 32 6  o 2.665000       0.9071000     192.4511      -66.2  
1 1 1 23 32 7  o 1.057000       1.005000      199.2876      -111.2 
1 1 1 23 32 8  o 2.735000       1.078000      346.0591      -95.9  
1 1 1 23 32 9  o 14.92000       1.152000      518.2592      57.1   
1 1 1 23 32 10 o 2.580000       1.036000      261.9860      -152.1 
1 1 1 23 32 11 o 2.851000       1.048000      292.3832      64.2   
1 1 1 23 32 12 o 5.507000       1.070000      393.1263      104.8  
1 1 1 23 32 13 o 0.7735000      1.062000      195.7615      59.6   
1 1 1 23 32 14 o 4.840000       1.010000      192.3689      -16.4  
1 1 1 23 32 15 o 9.106000       1.059000      306.8469      -91.0  
1 1 1 23 32 16 o 3.261000       1.035000      248.4143      28.7   
1 1 1 23 32 17 o 2.075000       1.147000      190.4167      -83.5  
1 1 1 23 32 18 o 3.560000       1.135000      254.4394      16.4   
1 1 1 23 32 19 o 14.86000       1.224000      529.6110      114.3  
1 1 1 23 32 20 o 1.097000       1.304000      204.8171      -138.8 
1 1 1 23 32 21 o 0.9067000      1.291000      63.83564      75.3   
1 1 1 23 32 22 o 3.936000       1.149000      270.4760      107.2  
1 1 1 23 32 23 o 12.16000       1.286000      548.3212      112.3  
1 1 1 23 32 24 o 1.477000       1.289000      213.2405      -159.2 
1 1 1 23 32 25 o 2.345000       1.292000      147.2151      -170.4 
1 1 1 23 32 26 o 18.84000       1.639000      500.4967      -150.4 
1 1 1 23 32 27 o 1.027000       1.122000      325.8066      53.0   
1 1 1 23 32 28 o 1.296000       1.112000      117.9286      -100.8 
1 1 1 23 32 29 o 0.7534000      1.240000      169.8636      -158.8 
1 1 1 23 32 30 o 5.558000       1.115000      289.7881      -174.0 
1 1 1 23 32 31 o 3.043000       1.135000      326.9449      164.6  
1 1 1 23 32 32 o 0.7606000      1.333000      244.3708      -98.5  
1 1 1 23 32 33 o 7.731000       1.348000      353.7981      45.9   
1 1 1 23 32 34 o 0.4966000E-01  1.365000      161.5415      31.8   
1 1 1 23 32 35 o 4.411000       1.366000      227.5736      89.1   
1 1 1 23 32 36 o -0.2831000     1.082000      47.86069      9.0    
1 1 1 23 32 37 o 5.628000       1.121000      453.0597      -150.6 
1 1 1 23 32 38 o 0.5981000      1.131000      11.81487      -115.2 
1 1 1 23 32 39 o 5.206000       1.159000      ?             ?      
1 1 1 23 32 40 o 0.3620000      1.137000      ?             ?      
1 1 1 23 32 41 o 0.4035000      1.435000      ?             ?      
1 1 1 23 32 42 o -1.339000      1.350000      ?             ?      
1 1 1 23 32 43 o 3.813000       1.181000      ?             ?      
1 1 1 23 32 44 o -0.1144000     1.087000      ?             ?      
1 1 1 23 32 45 o 0.6559000      1.097000      ?             ?      
1 1 1 23 32 46 o 0.7799000      1.095000      ?             ?      
1 1 1 23 32 47 o 0.1606000      1.113000      ?             ?      
1 1 1 23 32 48 o -1.246000      1.374000      ?             ?      
1 1 1 23 32 49 o -0.4017000     1.374000      ?             ?      
1 1 1 23 32 50 o 1.656000       1.986000      ?             ?      
1 1 1 23 32 51 o 2.316000       1.266000      ?             ?      
1 1 1 23 32 52 o 1.861000       1.268000      ?             ?      
1 1 1 23 32 53 o -0.2627000     1.178000      ?             ?      
1 1 1 23 32 54 o -0.2025000     1.170000      ?             ?      
1 1 1 23 32 55 o 0.4662000      1.184000      ?             ?      
1 1 1 23 32 56 o -1.423000      1.501000      ?             ?      
1 1 1 23 32 57 o -0.6778000     2.055000      ?             ?      
1 1 1 23 32 58 o -0.9827000     1.442000      ?             ?      
1 1 1 23 32 59 o 0.2770000      1.236000      ?             ?      
1 1 1 23 32 60 o 0.4766000E-01  1.427000      ?             ?      
1 1 1 23 33 0  o 15.52000       1.574000      618.1507      -90.0  
1 1 1 23 33 1  o 3.885000       0.9387000     292.5139      -44.6  
1 1 1 23 33 2  o 4.138000       0.9770000     400.6335      161.7  
1 1 1 23 33 3  o -0.8125000     0.9257000     37.58236      46.8   
1 1 1 23 33 4  o 14.06000       1.070000      630.7209      91.6   
1 1 1 23 33 5  o 0.7955000      0.9672000     172.3615      22.0   
1 1 1 23 33 6  o 1.312000       0.8990000     183.2449      106.8  
1 1 1 23 33 7  o 8.602000       1.043000      442.7421      150.7  
1 1 1 23 33 8  o 3.175000       1.101000      248.3590      148.4  
1 1 1 23 33 9  o -1.195000      1.083000      149.2627      -23.8  
1 1 1 23 33 10 o 4.814000       1.045000      418.1721      -151.1 
1 1 1 23 33 11 o 2.496000       1.057000      297.5375      -119.5 
1 1 1 23 33 12 o 22.18000       1.536000      608.6444      110.6  
1 1 1 23 33 13 o 7.875000       1.128000      515.4682      12.1   
1 1 1 23 33 14 o -0.1144000     1.091000      47.63495      -38.4  
1 1 1 23 33 15 o 7.064000       1.055000      364.8291      164.5  
1 1 1 23 33 16 o 5.854000       1.057000      346.6004      114.5  
1 1 1 23 33 17 o 1.141000       1.139000      161.8196      133.4  
1 1 1 23 33 18 o -1.241000      1.122000      181.5295      -99.1  
1 1 1 23 33 19 o 0.2010000      1.339000      166.2974      40.7   
1 1 1 23 33 20 o 19.23000       1.517000      665.0302      -54.2  
1 1 1 23 33 21 o 0.7421000      1.350000      137.6851      -23.5  
1 1 1 23 33 22 o 5.877000       1.225000      389.3372      143.0  
1 1 1 23 33 23 o 3.477000       1.177000      271.1776      103.8  
1 1 1 23 33 24 o 1.635000       1.090000      229.2443      -86.3  
1 1 1 23 33 25 o 0.4810000      1.304000      153.8900      30.2   
1 1 1 23 33 26 o 2.028000       1.158000      81.75327      174.0  
1 1 1 23 33 27 o 2.347000       1.156000      113.3464      -36.8  
1 1 1 23 33 28 o -0.3735000E-01 1.137000      62.03891      77.6   
1 1 1 23 33 29 o 3.073000       1.161000      251.7999      103.7  
1 1 1 23 33 30 o -1.687000      1.286000      113.3781      -118.7 
1 1 1 23 33 31 o 0.4101000      1.135000      191.2850      41.2   
1 1 1 23 33 32 o 2.984000       1.164000      279.3289      158.1  
1 1 1 23 33 33 o -0.6991000     1.447000      128.5902      89.7   
1 1 1 23 33 34 o 0.4554000      1.304000      80.48542      140.1  
1 1 1 23 33 35 o 0.4239000      1.315000      114.8902      149.0  
1 1 1 23 33 36 o 4.912000       1.314000      320.8932      143.6  
1 1 1 23 33 37 o -0.3256000     1.134000      123.8337      -58.3  
1 1 1 23 33 38 o 1.698000       1.149000      ?             ?      
1 1 1 23 33 39 o 1.960000       1.358000      ?             ?      
1 1 1 23 33 40 o 2.023000       1.173000      ?             ?      
1 1 1 23 33 41 o -0.9358000E-01 1.445000      ?             ?      
1 1 1 23 33 42 o 0.9415000E-01  1.144000      ?             ?      
1 1 1 23 33 43 o 1.410000       1.089000      ?             ?      
1 1 1 23 33 44 o -1.760000      1.030000      ?             ?      
1 1 1 23 33 45 o 0.3604000      1.041000      ?             ?      
1 1 1 23 33 46 o 1.735000       1.119000      ?             ?      
1 1 1 23 33 47 o -0.4656000     1.216000      ?             ?      
1 1 1 23 33 48 o 2.294000       1.125000      ?             ?      
1 1 1 23 33 49 o 0.3807000      1.376000      ?             ?      
1 1 1 23 33 50 o -0.3551000     1.300000      ?             ?      
1 1 1 23 33 51 o 1.161000       1.536000      ?             ?      
1 1 1 23 33 52 o 1.491000       1.411000      ?             ?      
1 1 1 23 33 53 o 0.5007000      1.236000      ?             ?      
1 1 1 23 33 54 o 0.5285000      1.169000      ?             ?      
1 1 1 23 33 55 o -1.081000      1.236000      ?             ?      
1 1 1 23 33 56 o -0.4663000     1.973000      ?             ?      
1 1 1 23 33 57 o -1.972000      1.597000      ?             ?      
1 1 1 23 33 58 o 1.669000       1.448000      ?             ?      
1 1 1 23 33 59 o -0.1215000     1.354000      ?             ?      
1 1 1 23 34 0  o 2.451000       1.374000      102.0191      -90.0  
1 1 1 23 34 1  o 0.9992000      0.9258000     139.1146      7.2    
1 1 1 23 34 2  o 1.852000       0.9823000     227.9780      -55.3  
1 1 1 23 34 3  o 4.179000       0.9746000     323.1392      -136.8 
1 1 1 23 34 4  o 1.107000       0.9846000     320.7955      158.8  
1 1 1 23 34 5  o 2.753000       0.9849000     296.0425      -131.9 
1 1 1 23 34 6  o 0.4548000      0.9099000     214.2175      9.3    
1 1 1 23 34 7  o 1.065000       1.011000      215.4766      -135.9 
1 1 1 23 34 8  o -0.7963000     1.081000      107.4718      -29.4  
1 1 1 23 34 9  o 6.199000       1.106000      373.7293      -27.4  
1 1 1 23 34 10 o 0.8667000      1.060000      254.5297      -171.2 
1 1 1 23 34 11 o 5.107000       1.137000      341.3490      91.2   
1 1 1 23 34 12 o 1.914000       1.097000      210.6212      -149.1 
1 1 1 23 34 13 o 3.397000       1.097000      240.6611      -86.8  
1 1 1 23 34 14 o 5.535000       1.143000      392.7047      41.2   
1 1 1 23 34 15 o 1.286000       1.138000      117.6583      66.8   
1 1 1 23 34 16 o -1.126000      1.030000      30.54636      47.7   
1 1 1 23 34 17 o 3.811000       1.156000      247.3009      -135.2 
1 1 1 23 34 18 o 1.228000       1.171000      284.1888      25.9   
1 1 1 23 34 19 o 2.286000       1.406000      206.0517      68.2   
1 1 1 23 34 20 o 0.2928000      1.411000      241.8264      -76.6  
1 1 1 23 34 21 o 0.8106000      1.212000      234.6155      -104.0 
1 1 1 23 34 22 o 2.270000       1.205000      107.0114      -152.3 
1 1 1 23 34 23 o 8.345000       1.488000      380.1678      -169.5 
1 1 1 23 34 24 o 3.893000       1.381000      239.9409      -101.8 
1 1 1 23 34 25 o 2.391000       1.194000      264.9765      21.9   
1 1 1 23 34 26 o 2.892000       1.187000      279.6698      114.9  
1 1 1 23 34 27 o 1.092000       1.174000      179.1803      -154.9 
1 1 1 23 34 28 o -0.2947000     1.187000      84.67453      -113.4 
1 1 1 23 34 29 o 5.624000       1.241000      298.7743      -173.7 
1 1 1 23 34 30 o 5.244000       1.246000      376.5272      -148.8 
1 1 1 23 34 31 o 3.937000       1.279000      338.3152      -135.7 
1 1 1 23 34 32 o 2.320000       1.178000      98.24416      -149.0 
1 1 1 23 34 33 o 0.2233000      1.196000      316.9087      -178.0 
1 1 1 23 34 34 o 3.863000       1.519000      312.8295      -101.1 
1 1 1 23 34 35 o 1.681000       1.340000      195.9057      -158.0 
1 1 1 23 34 36 o 1.806000       1.307000      251.2268      -177.4 
1 1 1 23 34 37 o 2.964000       1.289000      ?             ?      
1 1 1 23 34 38 o 4.493000       1.239000      ?             ?      
1 1 1 23 34 39 o 0.3453000      1.165000      ?             ?      
1 1 1 23 34 40 o 0.1016000      1.183000      ?             ?      
1 1 1 23 34 41 o -0.3849000E-01 1.185000      ?             ?      
1 1 1 23 34 42 o 0.5471000      1.073000      ?             ?      
1 1 1 23 34 43 o 1.273000       1.117000      ?             ?      
1 1 1 23 34 44 o 1.963000       1.180000      ?             ?      
1 1 1 23 34 45 o 2.625000       1.299000      ?             ?      
1 1 1 23 34 46 o 0.7849000      1.028000      ?             ?      
1 1 1 23 34 47 o 0.2220000      1.026000      ?             ?      
1 1 1 23 34 48 o 2.595000       1.064000      ?             ?      
1 1 1 23 34 49 o 0.1527000E-01  1.057000      ?             ?      
1 1 1 23 34 50 o 1.910000       1.281000      ?             ?      
1 1 1 23 34 51 o 1.301000       1.508000      ?             ?      
1 1 1 23 34 52 f -0.6886000     1.273000      ?             ?      
1 1 1 23 34 53 o 0.9616000      1.270000      ?             ?      
1 1 1 23 34 54 o -1.462000      1.246000      ?             ?      
1 1 1 23 34 55 o 4.081000       1.353000      ?             ?      
1 1 1 23 34 56 o -1.650000      1.429000      ?             ?      
1 1 1 23 34 57 o 1.459000       1.374000      ?             ?      
1 1 1 23 34 58 o 1.956000       1.473000      ?             ?      
1 1 1 23 35 0  o 1.220000       1.355000      23.32651      90.0   
1 1 1 23 35 1  o 2.276000       0.9478000     277.6080      25.1   
1 1 1 23 35 2  o 5.837000       1.050000      422.9427      -140.2 
1 1 1 23 35 3  o -0.8891000E-01 1.020000      69.20140      128.6  
1 1 1 23 35 4  o 12.71000       1.114000      590.4628      89.0   
1 1 1 23 35 5  o 3.278000       1.010000      253.9010      76.2   
1 1 1 23 35 6  o -0.3739000     0.9099000     183.7259      34.9   
1 1 1 23 35 7  o 5.106000       1.064000      424.3999      48.4   
1 1 1 23 35 8  o 0.3042000      1.077000      44.82011      55.6   
1 1 1 23 35 9  o 2.907000       1.087000      317.8351      -112.4 
1 1 1 23 35 10 o -0.8581000E-01 1.066000      235.5667      140.4  
1 1 1 23 35 11 o 0.6566000      1.094000      99.20203      -118.0 
1 1 1 23 35 12 o 2.100000       1.096000      105.3458      72.4   
1 1 1 23 35 13 o 0.2411000      1.095000      126.9548      -35.9  
1 1 1 23 35 14 o 12.13000       1.248000      547.2899      156.0  
1 1 1 23 35 15 o 1.416000       1.165000      169.2333      113.8  
1 1 1 23 35 16 o -0.1566000     1.145000      179.4191      105.9  
1 1 1 23 35 17 o 0.8964000      1.165000      156.0184      -73.3  
1 1 1 23 35 18 o 9.006000       1.487000      318.1511      -26.3  
1 1 1 23 35 19 o 0.3508000      1.426000      128.6378      -63.7  
1 1 1 23 35 20 o 2.995000       1.285000      314.2025      -10.6  
1 1 1 23 35 21 o 7.870000       1.334000      442.1954      81.8   
1 1 1 23 35 22 o -0.4305000E-01 1.246000      23.26000      117.7  
1 1 1 23 35 23 o 3.733000       1.472000      176.0398      -74.4  
1 1 1 23 35 24 o 2.817000       1.450000      197.0023      129.0  
1 1 1 23 35 25 o 5.075000       1.261000      295.9830      96.9   
1 1 1 23 35 26 o 4.496000       1.259000      230.4386      154.0  
1 1 1 23 35 27 o 1.908000       1.240000      348.8832      -157.4 
1 1 1 23 35 28 o 0.1900000      1.220000      138.2347      -20.7  
1 1 1 23 35 29 o -0.2137000     1.231000      42.88593      -31.8  
1 1 1 23 35 30 o 1.123000       1.251000      204.3004      -45.6  
1 1 1 23 35 31 o -1.941000      1.265000      75.18524      -3.1   
1 1 1 23 35 32 o 0.5988000      1.315000      28.98158      -83.2  
1 1 1 23 35 33 o 2.418000       1.246000      215.8803      -30.8  
1 1 1 23 35 34 o 4.111000       1.434000      362.5384      -33.6  
1 1 1 23 35 35 o 1.545000       1.471000      136.5485      95.9   
1 1 1 23 35 36 o 3.082000       1.419000      ?             ?      
1 1 1 23 35 37 o 1.030000       1.295000      ?             ?      
1 1 1 23 35 38 o -1.800000      1.129000      ?             ?      
1 1 1 23 35 39 o 0.3934000      1.116000      ?             ?      
1 1 1 23 35 40 o -1.456000      1.147000      ?             ?      
1 1 1 23 35 41 o 2.762000       1.140000      ?             ?      
1 1 1 23 35 42 o 2.962000       1.222000      ?             ?      
1 1 1 23 35 43 o 1.077000       1.160000      ?             ?      
1 1 1 23 35 44 o 0.6496000      1.062000      ?             ?      
1 1 1 23 35 45 o -0.2847000E-02 1.075000      ?             ?      
1 1 1 23 35 46 o 3.489000       1.046000      ?             ?      
1 1 1 23 35 47 o 1.234000       1.070000      ?             ?      
1 1 1 23 35 48 o 2.286000       1.071000      ?             ?      
1 1 1 23 35 49 o 1.899000       1.064000      ?             ?      
1 1 1 23 35 50 o 0.7622000      1.248000      ?             ?      
1 1 1 23 35 51 o 0.9000000      1.269000      ?             ?      
1 1 1 23 35 52 o -1.692000      1.400000      ?             ?      
1 1 1 23 35 53 o 2.775000       1.281000      ?             ?      
1 1 1 23 35 54 o 0.4238000      1.265000      ?             ?      
1 1 1 23 35 55 o 1.388000       1.494000      ?             ?      
1 1 1 23 35 56 o -0.5022000     1.326000      ?             ?      
1 1 1 23 35 57 o -1.787000      1.366000      ?             ?      
1 1 1 23 36 0  o 0.1087000      1.203000      98.62569      -90.0  
1 1 1 23 36 1  o 0.7375000      0.9082000     71.42969      -63.5  
1 1 1 23 36 2  o 3.640000       0.9334000     345.1364      -157.0 
1 1 1 23 36 3  o 0.9137000      1.032000      188.3102      139.4  
1 1 1 23 36 4  o 10.82000       1.179000      514.0935      129.1  
1 1 1 23 36 5  o 3.894000       1.019000      310.3497      128.4  
1 1 1 23 36 6  o 0.8135000      0.8877000     23.11568      -54.1  
1 1 1 23 36 7  o -0.5093000     1.017000      74.53262      175.2  
1 1 1 23 36 8  o 0.2883000      1.048000      21.43015      180.0  
1 1 1 23 36 9  o 0.2940000      1.082000      126.9841      158.7  
1 1 1 23 36 10 o 0.7043000      1.075000      82.67511      82.8   
1 1 1 23 36 11 o -0.4623000     1.096000      192.0124      -33.8  
1 1 1 23 36 12 o 1.352000       1.094000      155.4384      -74.3  
1 1 1 23 36 13 o 1.125000       1.126000      251.9029      128.0  
1 1 1 23 36 14 o -2.802000      1.160000      58.77697      111.2  
1 1 1 23 36 15 o -0.6981000     1.160000      186.7193      -105.6 
1 1 1 23 36 16 o 1.327000       1.170000      141.6751      128.6  
1 1 1 23 36 17 o -1.120000      1.413000      177.3818      12.5   
1 1 1 23 36 18 o 13.20000       1.593000      535.7094      0.4    
1 1 1 23 36 19 o 2.454000       1.501000      284.3468      153.7  
1 1 1 23 36 20 o -0.2721000     1.293000      143.3033      -80.5  
1 1 1 23 36 21 o 1.356000       1.299000      27.08736      44.2   
1 1 1 23 36 22 o 2.646000       1.548000      255.8906      -151.2 
1 1 1 23 36 23 o -1.736000      1.527000      45.42336      -160.3 
1 1 1 23 36 24 o 0.5662000      1.326000      92.37335      -1.1   
1 1 1 23 36 25 o 3.485000       1.322000      242.1571      -126.2 
1 1 1 23 36 26 o 1.047000       1.286000      136.0544      -93.6  
1 1 1 23 36 27 o 3.094000       1.267000      208.3330      -130.7 
1 1 1 23 36 28 o 1.721000       1.251000      210.5225      33.6   
1 1 1 23 36 29 o 2.639000       1.267000      251.2552      141.2  
1 1 1 23 36 30 o -0.2306000     1.286000      228.4805      -109.0 
1 1 1 23 36 31 o 3.456000       1.340000      212.9282      167.4  
1 1 1 23 36 32 o -0.3418000     1.296000      163.4855      169.8  
1 1 1 23 36 33 o 0.8134000      1.365000      146.8086      -54.8  
1 1 1 23 36 34 o -0.7821000     1.410000      ?             ?      
1 1 1 23 36 35 o -1.004000      1.140000      ?             ?      
1 1 1 23 36 36 o 1.695000       1.411000      ?             ?      
1 1 1 23 36 37 o 2.008000       1.302000      ?             ?      
1 1 1 23 36 38 o -3.560000      1.360000      ?             ?      
1 1 1 23 36 39 o 0.5798000      1.546000      ?             ?      
1 1 1 23 36 40 o 1.116000       1.273000      ?             ?      
1 1 1 23 36 41 o 0.9019000      1.208000      ?             ?      
1 1 1 23 36 42 o -0.8316000     0.9924000     ?             ?      
1 1 1 23 36 43 o 1.266000       0.9883000     ?             ?      
1 1 1 23 36 44 o 1.729000       1.062000      ?             ?      
1 1 1 23 36 45 o 0.7375000      1.020000      ?             ?      
1 1 1 23 36 46 o 1.908000       1.031000      ?             ?      
1 1 1 23 36 47 o 1.085000       1.093000      ?             ?      
1 1 1 23 36 48 o 0.9640000      1.099000      ?             ?      
1 1 1 23 36 49 o -0.4571000     1.040000      ?             ?      
1 1 1 23 36 50 o 1.441000       1.099000      ?             ?      
1 1 1 23 36 51 o 1.391000       1.366000      ?             ?      
1 1 1 23 36 52 o -0.2652000     1.426000      ?             ?      
1 1 1 23 36 53 o 2.034000       1.275000      ?             ?      
1 1 1 23 36 54 o 1.498000       1.488000      ?             ?      
1 1 1 23 36 55 o 0.4353000E-01  1.406000      ?             ?      
1 1 1 23 36 56 o -2.071000      1.219000      ?             ?      
1 1 1 23 36 57 o 2.237000       2.409000      ?             ?      
1 1 1 23 37 0  o 0.4344000      1.206000      262.6982      -90.0  
1 1 1 23 37 1  o 0.3676000E-01  0.8830000     78.28421      -40.2  
1 1 1 23 37 2  o 1.358000       0.9051000     226.1512      -96.1  
1 1 1 23 37 3  o 1.253000       1.033000      28.96218      -81.9  
1 1 1 23 37 4  o 3.634000       1.027000      237.9660      146.5  
1 1 1 23 37 5  o -0.8602000     0.9999000     62.36371      -136.2 
1 1 1 23 37 6  o 1.785000       0.9166000     211.0248      -12.7  
1 1 1 23 37 7  o 0.4823000      1.052000      71.31989      -51.2  
1 1 1 23 37 8  o 9.707000       1.156000      439.8210      -144.8 
1 1 1 23 37 9  o 3.405000       1.105000      91.38552      -1.9   
1 1 1 23 37 10 o -0.5987000     1.076000      132.9884      62.9   
1 1 1 23 37 11 o 0.3257000      1.103000      163.5709      -71.5  
1 1 1 23 37 12 o 1.174000       1.129000      67.78715      -65.0  
1 1 1 23 37 13 o 2.161000       1.160000      141.4877      79.5   
1 1 1 23 37 14 o 1.002000       1.155000      139.0885      -42.7  
1 1 1 23 37 15 o 0.5993000      1.155000      135.8674      146.9  
1 1 1 23 37 16 o 8.031000       1.261000      445.2548      78.3   
1 1 1 23 37 17 o -0.7799000     1.865000      99.69694      -39.5  
1 1 1 23 37 18 o -1.699000      1.948000      114.2132      -132.8 
1 1 1 23 37 19 o 3.818000       1.365000      242.7097      123.5  
1 1 1 23 37 20 o -0.7295000     1.314000      221.3384      1.0    
1 1 1 23 37 21 o 3.128000       1.397000      278.1163      77.3   
1 1 1 23 37 22 o 4.306000       1.647000      242.6472      -96.4  
1 1 1 23 37 23 o 3.489000       1.192000      203.3810      -147.7 
1 1 1 23 37 24 o 10.09000       1.474000      362.1765      72.9   
1 1 1 23 37 25 o 0.5247000      1.337000      185.8200      -128.4 
1 1 1 23 37 26 o 1.734000       1.317000      200.6464      -154.3 
1 1 1 23 37 27 o 2.118000       1.293000      134.8911      158.9  
1 1 1 23 37 28 o 1.237000       1.289000      104.2760      0.7    
1 1 1 23 37 29 o -0.7075000E-02 1.308000      92.35391      46.1   
1 1 1 23 37 30 o 2.852000       1.357000      233.3070      -8.6   
1 1 1 23 37 31 o 0.4478000      1.390000      142.6808      -150.3 
1 1 1 23 37 32 o -0.5493000     1.338000      63.81536      -75.6  
1 1 1 23 37 33 o 0.2262000      1.291000      ?             ?      
1 1 1 23 37 34 o 2.006000       1.314000      ?             ?      
1 1 1 23 37 35 o -1.711000      1.365000      ?             ?      
1 1 1 23 37 36 o -1.862000      1.254000      ?             ?      
1 1 1 23 37 37 o 0.5232000E-01  1.736000      ?             ?      
1 1 1 23 37 38 o 0.1126000      2.390000      ?             ?      
1 1 1 23 37 39 o 1.419000       1.410000      ?             ?      
1 1 1 23 37 40 o 0.3469000      1.082000      ?             ?      
1 1 1 23 37 41 o -0.4626000     1.021000      ?             ?      
1 1 1 23 37 42 o 2.582000       0.9954000     ?             ?      
1 1 1 23 37 43 o -0.1342000     0.9885000     ?             ?      
1 1 1 23 37 44 o 0.8528000      0.9934000     ?             ?      
1 1 1 23 37 45 o 0.1627000      0.9957000     ?             ?      
1 1 1 23 37 46 o -1.527000      1.002000      ?             ?      
1 1 1 23 37 47 o -0.4495000     1.017000      ?             ?      
1 1 1 23 37 48 o 1.221000       1.045000      ?             ?      
1 1 1 23 37 49 o -0.3444000     1.059000      ?             ?      
1 1 1 23 37 50 o 0.7106000      1.130000      ?             ?      
1 1 1 23 37 51 o 0.8553000      1.287000      ?             ?      
1 1 1 23 37 52 o 0.8342000      1.268000      ?             ?      
1 1 1 23 37 53 o -2.772000      1.428000      ?             ?      
1 1 1 23 37 54 o 3.681000       1.646000      ?             ?      
1 1 1 23 37 55 o -0.3578000     1.342000      ?             ?      
1 1 1 23 37 56 o 3.554000       1.516000      ?             ?      
1 1 1 23 38 0  o -1.957000      1.236000      67.90776      -90.0  
1 1 1 23 38 1  o 3.079000       0.9338000     254.5163      115.0  
1 1 1 23 38 2  o 1.975000       0.9209000     110.0388      68.1   
1 1 1 23 38 3  o 0.9756000      1.074000      150.5446      30.0   
1 1 1 23 38 4  o 0.8127000      1.073000      38.59823      1.1    
1 1 1 23 38 5  o 6.910000       1.073000      303.5037      82.4   
1 1 1 23 38 6  o -0.1531000     0.9999000     94.91360      -75.6  
1 1 1 23 38 7  o -0.9632000E-02 0.9390000     169.1976      114.9  
1 1 1 23 38 8  o -0.9524000     1.082000      118.1779      -114.7 
1 1 1 23 38 9  o 1.282000       1.095000      144.3371      24.5   
1 1 1 23 38 10 o 0.6062000      1.115000      170.7322      51.2   
1 1 1 23 38 11 o -0.7009000     1.139000      91.60350      15.9   
1 1 1 23 38 12 o 3.965000       1.185000      260.9424      102.8  
1 1 1 23 38 13 o 2.164000       1.165000      170.6155      163.7  
1 1 1 23 38 14 o 3.157000       1.176000      220.8040      -170.1 
1 1 1 23 38 15 o -2.194000      1.206000      88.23078      90.1   
1 1 1 23 38 16 o -0.5389000     1.482000      223.4826      -135.6 
1 1 1 23 38 17 o 0.6140000      1.986000      193.5270      174.2  
1 1 1 23 38 18 o -0.7943000     1.999000      139.7627      -68.1  
1 1 1 23 38 19 o 2.164000       1.613000      244.6851      163.1  
1 1 1 23 38 20 o 1.668000       1.606000      183.6098      -157.6 
1 1 1 23 38 21 o 0.6598000      1.672000      164.7951      33.5   
1 1 1 23 38 22 o 7.845000       1.738000      347.6312      -153.6 
1 1 1 23 38 23 o -1.503000      1.358000      105.4230      103.7  
1 1 1 23 38 24 o 1.688000       1.359000      153.2941      12.0   
1 1 1 23 38 25 o 0.9492000      1.357000      169.1374      -152.4 
1 1 1 23 38 26 o -0.9494000     1.322000      87.48387      -87.6  
1 1 1 23 38 27 o 0.9821000      1.327000      135.9342      100.1  
1 1 1 23 38 28 o -0.2244000     1.350000      86.44132      58.4   
1 1 1 23 38 29 o 1.208000       1.413000      75.76337      -138.0 
1 1 1 23 38 30 o -0.6815000     1.317000      80.28634      -25.0  
1 1 1 23 38 31 o 0.2866000      1.300000      ?             ?      
1 1 1 23 38 32 o 1.561000       1.299000      ?             ?      
1 1 1 23 38 33 o -0.6859000     1.342000      ?             ?      
1 1 1 23 38 34 o 0.6504000      1.395000      ?             ?      
1 1 1 23 38 35 o 2.077000       1.696000      ?             ?      
1 1 1 23 38 36 o 2.878000       2.354000      ?             ?      
1 1 1 23 38 37 o -1.071000      1.128000      ?             ?      
1 1 1 23 38 38 o 4.016000       1.748000      ?             ?      
1 1 1 23 38 39 f 0.4597000      1.446000      ?             ?      
1 1 1 23 38 40 o 0.3844000      1.334000      ?             ?      
1 1 1 23 38 41 o 0.4567000      1.013000      ?             ?      
1 1 1 23 38 42 o -1.383000      0.9762000     ?             ?      
1 1 1 23 38 43 o 1.400000       0.9820000     ?             ?      
1 1 1 23 38 44 o 0.3002000      0.9951000     ?             ?      
1 1 1 23 38 45 o 0.2431000      0.9887000     ?             ?      
1 1 1 23 38 46 o 0.3063000      1.003000      ?             ?      
1 1 1 23 38 47 o 0.6785000      1.031000      ?             ?      
1 1 1 23 38 48 o 0.9257000      1.040000      ?             ?      
1 1 1 23 38 49 o -1.757000      1.045000      ?             ?      
1 1 1 23 38 50 o 1.554000       1.060000      ?             ?      
1 1 1 23 38 51 o 0.5970000      1.063000      ?             ?      
1 1 1 23 38 52 o 0.4506000      1.325000      ?             ?      
1 1 1 23 38 53 o -0.5613000     1.644000      ?             ?      
1 1 1 23 38 54 o -0.3442000     1.458000      ?             ?      
1 1 1 23 38 55 o 0.1366000      1.321000      ?             ?      
1 1 1 23 39 0  o 1.372000       1.240000      17.30050      -90.0  
1 1 1 23 39 1  o 3.721000       0.9086000     266.8390      131.5  
1 1 1 23 39 2  o -0.9108000     0.9390000     88.50184      -146.5 
1 1 1 23 39 3  o -0.1912000     1.092000      141.1469      -173.3 
1 1 1 23 39 4  o 4.253000       1.101000      226.7726      179.1  
1 1 1 23 39 5  o 0.2673000      0.9851000     70.08978      79.8   
1 1 1 23 39 6  o -0.3741000     0.9492000     43.47655      177.6  
1 1 1 23 39 7  o 0.6553000      0.9292000     102.0060      -131.9 
1 1 1 23 39 8  o -0.1011000     1.088000      46.75166      123.1  
1 1 1 23 39 9  o -1.483000      1.113000      98.37050      61.7   
1 1 1 23 39 10 o 0.7191000      1.137000      61.28877      -158.2 
1 1 1 23 39 11 o 1.583000       1.177000      129.3844      -153.2 
1 1 1 23 39 12 o 2.328000       1.194000      217.6191      -79.5  
1 1 1 23 39 13 o 1.248000       1.167000      90.89538      -95.1  
1 1 1 23 39 14 o -2.227000      1.199000      62.00127      -171.3 
1 1 1 23 39 15 o -0.1875000     1.253000      48.10368      -144.9 
1 1 1 23 39 16 o 2.816000       1.584000      273.7715      20.0   
1 1 1 23 39 17 o 3.899000       2.163000      196.3857      -61.1  
1 1 1 23 39 18 o 2.778000       1.637000      136.0210      -108.4 
1 1 1 23 39 19 o 2.432000       1.607000      147.7337      66.8   
1 1 1 23 39 20 o 1.112000       1.635000      69.43540      3.1    
1 1 1 23 39 21 o 3.639000       2.310000      143.6210      -65.9  
1 1 1 23 39 22 o -1.497000      1.653000      134.5377      168.7  
1 1 1 23 39 23 o 1.111000       1.370000      148.2364      -157.6 
1 1 1 23 39 24 o 0.4587000      1.341000      72.66579      -6.6   
1 1 1 23 39 25 o -0.8419000     1.318000      63.78650      -47.2  
1 1 1 23 39 26 o 1.249000       1.410000      85.50736      -60.6  
1 1 1 23 39 27 o 0.6595000      1.432000      154.1403      133.6  
1 1 1 23 39 28 o -1.102000      1.386000      97.53610      29.5   
1 1 1 23 39 29 o 1.501000       1.383000      179.7479      17.6   
1 1 1 23 39 30 o -0.2706000     1.308000      ?             ?      
1 1 1 23 39 31 o 0.7822000      1.330000      ?             ?      
1 1 1 23 39 32 o 1.821000       1.319000      ?             ?      
1 1 1 23 39 33 o 0.9562000      1.658000      ?             ?      
1 1 1 23 39 34 o 2.869000       1.659000      ?             ?      
1 1 1 23 39 35 o -1.100000      1.244000      ?             ?      
1 1 1 23 39 36 o 0.1057000      1.437000      ?             ?      
1 1 1 23 39 37 o 1.868000       1.432000      ?             ?      
1 1 1 23 39 38 o 0.1711000      1.473000      ?             ?      
1 1 1 23 39 39 o 1.926000       1.480000      ?             ?      
1 1 1 23 39 40 o 1.935000       1.353000      ?             ?      
1 1 1 23 39 41 o 0.4770000      1.210000      ?             ?      
1 1 1 23 39 42 o -0.4902000     0.9948000     ?             ?      
1 1 1 23 39 43 o 0.5498000      0.9689000     ?             ?      
1 1 1 23 39 44 o -0.2475000     0.9765000     ?             ?      
1 1 1 23 39 45 o 0.7209000E-01  1.002000      ?             ?      
1 1 1 23 39 46 o 0.1918000      1.003000      ?             ?      
1 1 1 23 39 47 o 1.236000       1.025000      ?             ?      
1 1 1 23 39 48 o -0.5882000E-01 1.026000      ?             ?      
1 1 1 23 39 49 o 1.386000       1.045000      ?             ?      
1 1 1 23 39 50 o -0.6570000     1.050000      ?             ?      
1 1 1 23 39 51 o 1.029000       1.076000      ?             ?      
1 1 1 23 39 52 o -0.5366000     1.329000      ?             ?      
1 1 1 23 39 53 o 0.6190000      1.410000      ?             ?      
1 1 1 23 39 54 o -1.082000      2.082000      ?             ?      
1 1 1 23 40 0  o 2.089000       1.245000      37.57597      90.0   
1 1 1 23 40 1  o 2.500000       0.9051000     181.3732      167.4  
1 1 1 23 40 2  o 0.8265000      0.9789000     156.0288      -76.8  
1 1 1 23 40 3  o -0.4801000     1.002000      111.5379      -14.7  
1 1 1 23 40 4  o -1.378000      1.080000      87.11422      -105.0 
1 1 1 23 40 5  o 0.9779000      0.9941000     112.0767      88.9   
1 1 1 23 40 6  o -0.1794000     0.9561000     108.1807      168.0  
1 1 1 23 40 7  o 1.779000       0.9367000     31.57305      128.8  
1 1 1 23 40 8  o 2.502000       1.145000      225.1673      -72.8  
1 1 1 23 40 9  o 0.8909000E-02  1.158000      111.8727      78.0   
1 1 1 23 40 10 o -0.8962000     1.180000      99.82504      63.5   
1 1 1 23 40 11 o 1.159000       1.214000      115.3265      4.0    
1 1 1 23 40 12 o 2.279000       1.240000      99.28484      -137.7 
1 1 1 23 40 13 o -0.1514000     1.242000      38.85172      147.4  
1 1 1 23 40 14 o 1.290000       1.278000      79.20017      102.6  
1 1 1 23 40 15 o 0.7395000      1.549000      29.18178      -153.3 
1 1 1 23 40 16 o 1.474000       1.606000      133.8351      -143.7 
1 1 1 23 40 17 o 2.653000       1.657000      197.0428      127.7  
1 1 1 23 40 18 o 0.7637000      1.615000      11.09847      89.5   
1 1 1 23 40 19 o 1.145000       1.623000      51.47581      -128.9 
1 1 1 23 40 20 o 0.7845000      2.285000      97.79739      -168.2 
1 1 1 23 40 21 o -2.093000      2.265000      74.09267      157.8  
1 1 1 23 40 22 o 2.592000       1.640000      156.9074      -138.0 
1 1 1 23 40 23 o 1.504000       1.380000      42.48502      179.0  
1 1 1 23 40 24 o -1.718000      1.413000      21.65716      -64.3  
1 1 1 23 40 25 o -0.3435000     1.350000      47.75539      173.1  
1 1 1 23 40 26 o -1.060000      1.353000      107.4096      125.1  
1 1 1 23 40 27 o 0.4643000      1.387000      82.36240      82.8   
1 1 1 23 40 28 o 2.115000       1.407000      ?             ?      
1 1 1 23 40 29 o 0.4591000E-01  1.428000      ?             ?      
1 1 1 23 40 30 o 1.004000       1.633000      ?             ?      
1 1 1 23 40 31 o 0.7644000      1.644000      ?             ?      
1 1 1 23 40 32 o -1.297000      1.276000      ?             ?      
1 1 1 23 40 33 o -0.1817000E-01 1.271000      ?             ?      
1 1 1 23 40 34 o 0.3369000E-02  1.234000      ?             ?      
1 1 1 23 40 35 o 0.3042000      1.433000      ?             ?      
1 1 1 23 40 36 o 0.2147000      1.427000      ?             ?      
1 1 1 23 40 37 o -1.310000      1.255000      ?             ?      
1 1 1 23 40 38 o -0.4550000     1.376000      ?             ?      
1 1 1 23 40 39 o -1.070000      1.382000      ?             ?      
1 1 1 23 40 40 o 1.300000       1.335000      ?             ?      
1 1 1 23 40 41 o -1.054000      1.198000      ?             ?      
1 1 1 23 40 42 o -0.6940000     1.217000      ?             ?      
1 1 1 23 40 43 o 0.2529000      1.014000      ?             ?      
1 1 1 23 40 44 o -0.8566000     0.9798000     ?             ?      
1 1 1 23 40 45 o 0.8578000      0.9851000     ?             ?      
1 1 1 23 40 46 o -0.1348000     0.9996000     ?             ?      
1 1 1 23 40 47 o -0.1422000     1.025000      ?             ?      
1 1 1 23 40 48 o -0.5218000     1.037000      ?             ?      
1 1 1 23 40 49 o -0.4893000     1.044000      ?             ?      
1 1 1 23 40 50 o -2.410000      1.050000      ?             ?      
1 1 1 23 40 51 o -0.6043000     1.102000      ?             ?      
1 1 1 23 40 52 o -0.8171000E-01 1.269000      ?             ?      
1 1 1 23 40 53 o -0.9937000     1.939000      ?             ?      
1 1 1 23 41 0  o 4.056000       1.310000      139.8988      90.0   
1 1 1 23 41 1  o 0.5962000      0.9210000     11.78165      154.9  
1 1 1 23 41 2  o 2.846000       1.008000      120.3339      -61.1  
1 1 1 23 41 3  o 0.3868000      1.017000      83.60255      156.2  
1 1 1 23 41 4  o 2.464000       1.118000      102.8717      140.5  
1 1 1 23 41 5  o 0.8929000      1.025000      42.54744      -50.2  
1 1 1 23 41 6  o 0.8770000      1.003000      74.91615      148.8  
1 1 1 23 41 7  o 1.455000       0.9754000     54.91774      79.2   
1 1 1 23 41 8  o -0.3358000     1.186000      91.82944      54.1   
1 1 1 23 41 9  o -1.226000      1.232000      67.33489      -106.6 
1 1 1 23 41 10 o -0.2040000     1.224000      99.10439      -91.4  
1 1 1 23 41 11 o -0.8075000     1.247000      59.12176      64.4   
1 1 1 23 41 12 o 2.020000       1.284000      59.02234      -89.0  
1 1 1 23 41 13 o -0.9201000     1.275000      80.71229      161.7  
1 1 1 23 41 14 o 0.6119000      1.348000      51.25617      175.7  
1 1 1 23 41 15 o 0.2887000      1.568000      92.85500      -32.2  
1 1 1 23 41 16 o -0.3551000E-01 2.098000      31.98534      -175.9 
1 1 1 23 41 17 o 3.135000       1.659000      78.20208      -55.3  
1 1 1 23 41 18 o 0.5612000E-02  1.581000      64.25224      -50.5  
1 1 1 23 41 19 o -0.8986000     1.594000      27.51663      44.7   
1 1 1 23 41 20 o 0.2585000      2.281000      79.11919      -38.7  
1 1 1 23 41 21 o 2.463000       2.343000      100.3719      -51.7  
1 1 1 23 41 22 o 2.066000       1.639000      43.19115      -166.7 
1 1 1 23 41 23 o -0.9472000E-01 1.622000      46.06511      10.7   
1 1 1 23 41 24 o 0.7040000      1.342000      102.6441      -55.6  
1 1 1 23 41 25 o -0.2380000     1.352000      73.12725      -111.7 
1 1 1 23 41 26 o -2.318000      1.391000      ?             ?      
1 1 1 23 41 27 o 1.519000       1.404000      ?             ?      
1 1 1 23 41 28 o 0.4452000      2.288000      ?             ?      
1 1 1 23 41 29 o -0.3455000     1.334000      ?             ?      
1 1 1 23 41 30 o -3.023000      1.296000      ?             ?      
1 1 1 23 41 31 o 2.327000       1.281000      ?             ?      
1 1 1 23 41 32 o -0.2530000     1.263000      ?             ?      
1 1 1 23 41 33 o 0.6237000      1.241000      ?             ?      
1 1 1 23 41 34 o 0.1678000      1.251000      ?             ?      
1 1 1 23 41 35 o -0.5332000     1.375000      ?             ?      
1 1 1 23 41 36 o -2.534000      1.221000      ?             ?      
1 1 1 23 41 37 o -0.2257000     1.216000      ?             ?      
1 1 1 23 41 38 o -0.9998000     1.332000      ?             ?      
1 1 1 23 41 39 o 2.454000       1.319000      ?             ?      
1 1 1 23 41 40 o 1.754000       1.270000      ?             ?      
1 1 1 23 41 41 o -0.7512000     1.275000      ?             ?      
1 1 1 23 41 42 o -2.287000      1.216000      ?             ?      
1 1 1 23 41 43 o 0.1042000      1.268000      ?             ?      
1 1 1 23 41 44 o -1.704000      1.028000      ?             ?      
1 1 1 23 41 45 o -0.5094000     0.9741000     ?             ?      
1 1 1 23 41 46 o 0.4914000      1.004000      ?             ?      
1 1 1 23 41 47 o 0.3008000      1.022000      ?             ?      
1 1 1 23 41 48 o 1.265000       1.029000      ?             ?      
1 1 1 23 41 49 o -0.9416000     1.430000      ?             ?      
1 1 1 23 41 50 o -0.8105000E-01 1.046000      ?             ?      
1 1 1 23 41 51 o 0.8782000      1.093000      ?             ?      
1 1 1 23 41 52 o 2.074000       1.478000      ?             ?      
1 1 1 23 42 0  o -2.255000      1.287000      59.67619      90.0   
1 1 1 23 42 1  o -0.9509000     0.9098000     42.32541      -163.7 
1 1 1 23 42 2  o 2.033000       0.9726000     84.57462      3.3    
1 1 1 23 42 3  o -1.142000      0.9702000     7.132266      -37.0  
1 1 1 23 42 4  o -0.9203000E-01 1.067000      70.06788      -84.2  
1 1 1 23 42 5  o 0.4695000      1.019000      15.88304      27.6   
1 1 1 23 42 6  o -0.8795000     1.015000      74.18229      177.8  
1 1 1 23 42 7  o 0.5938000      1.076000      42.74459      -87.6  
1 1 1 23 42 8  o 0.5002000      1.252000      59.15828      -139.1 
1 1 1 23 42 9  o 0.9682000      1.309000      34.66534      118.1  
1 1 1 23 42 10 o -2.375000      1.254000      88.68039      -32.7  
1 1 1 23 42 11 o 0.8861000      1.276000      13.48642      32.4   
1 1 1 23 42 12 o 0.9010000      1.324000      39.45425      165.3  
1 1 1 23 42 13 o -1.130000      1.326000      55.80127      -6.7   
1 1 1 23 42 14 o -0.4776000     2.064000      14.49504      -99.7  
1 1 1 23 42 15 o -1.398000      1.598000      65.22253      -179.6 
1 1 1 23 42 16 o 0.4192000      1.365000      40.60292      177.6  
1 1 1 23 42 17 o -0.3238000     1.560000      94.64048      68.2   
1 1 1 23 42 18 o 0.1098000      1.637000      47.23938      83.0   
1 1 1 23 42 19 o 1.225000       2.269000      30.46433      157.0  
1 1 1 23 42 20 o -1.785000      2.207000      43.60944      -162.8 
1 1 1 23 42 21 o -1.078000      1.590000      46.28354      -132.4 
1 1 1 23 42 22 o -2.101000      1.585000      86.90674      22.2   
1 1 1 23 42 23 o -0.1079000     1.602000      ?             ?      
1 1 1 23 42 24 o 0.6735000      1.688000      ?             ?      
1 1 1 23 42 25 o -0.7108000     1.612000      ?             ?      
1 1 1 23 42 26 o 1.549000       1.641000      ?             ?      
1 1 1 23 42 27 o 0.8555000      1.386000      ?             ?      
1 1 1 23 42 28 o 0.4849000      1.328000      ?             ?      
1 1 1 23 42 29 o -0.1062000     1.290000      ?             ?      
1 1 1 23 42 30 o -1.603000      1.268000      ?             ?      
1 1 1 23 42 31 o -1.643000      1.274000      ?             ?      
1 1 1 23 42 32 o 1.169000       1.285000      ?             ?      
1 1 1 23 42 33 o -1.369000      1.245000      ?             ?      
1 1 1 23 42 34 o -2.069000      1.368000      ?             ?      
1 1 1 23 42 35 o 0.1182000      1.375000      ?             ?      
1 1 1 23 42 36 o 0.3992000      1.194000      ?             ?      
1 1 1 23 42 37 o -0.3598000     1.334000      ?             ?      
1 1 1 23 42 38 o -0.3226000     1.327000      ?             ?      
1 1 1 23 42 39 o 2.386000       1.216000      ?             ?      
1 1 1 23 42 40 o 0.4235000      1.196000      ?             ?      
1 1 1 23 42 41 o -0.7249000     1.182000      ?             ?      
1 1 1 23 42 42 o 0.3783000      1.283000      ?             ?      
1 1 1 23 42 43 o -0.4345000     1.274000      ?             ?      
1 1 1 23 42 44 o 1.099000       1.247000      ?             ?      
1 1 1 23 42 45 o 0.9445000      1.054000      ?             ?      
1 1 1 23 42 46 o 1.533000       1.077000      ?             ?      
1 1 1 23 42 47 o -1.128000      1.019000      ?             ?      
1 1 1 23 42 48 o 0.9930000E-01  1.031000      ?             ?      
1 1 1 23 42 49 o 0.2182000      1.039000      ?             ?      
1 1 1 23 42 50 o 0.4748000      1.087000      ?             ?      
1 1 1 23 42 51 o -0.1852000     1.535000      ?             ?      
1 1 1 23 43 0  o 1.634000       1.279000      18.11286      -90.0  
1 1 1 23 43 1  o -1.033000      0.8954000     27.69373      157.2  
1 1 1 23 43 2  o 0.3434000      0.9207000     60.09936      90.7   
1 1 1 23 43 3  o 2.434000       0.9994000     73.04429      39.4   
1 1 1 23 43 4  o 1.390000       1.096000      78.28350      -138.4 
1 1 1 23 43 5  o 1.771000       1.095000      14.42391      127.8  
1 1 1 23 43 6  o -1.192000      1.024000      20.34816      138.3  
1 1 1 23 43 7  o -0.9065000E-01 1.060000      11.14154      92.2   
1 1 1 23 43 8  o -2.233000      1.250000      28.83249      109.7  
1 1 1 23 43 9  o 1.596000       1.305000      69.39530      -129.3 
1 1 1 23 43 10 o 0.5423000      1.281000      22.61471      133.7  
1 1 1 23 43 11 o 1.092000       1.549000      17.62601      -59.9  
1 1 1 23 43 12 o 3.392000       1.572000      10.64980      -149.2 
1 1 1 23 43 13 o -1.170000      1.526000      43.06637      -145.4 
1 1 1 23 43 14 o -1.047000      1.533000      45.75327      -12.0  
1 1 1 23 43 15 o 2.249000       1.399000      39.17189      -2.6   
1 1 1 23 43 16 o -1.627000      1.406000      72.28788      -153.4 
1 1 1 23 43 17 o -1.758000      1.584000      35.82560      -73.6  
1 1 1 23 43 18 o -1.216000      1.566000      61.87891      -112.0 
1 1 1 23 43 19 o 2.058000       2.213000      65.74067      -9.7   
1 1 1 23 43 20 o 0.3877000E-01  2.195000      9.845222      15.5   
1 1 1 23 43 21 o 2.729000       1.672000      ?             ?      
1 1 1 23 43 22 o 1.134000       1.617000      ?             ?      
1 1 1 23 43 23 o -0.2398000E-01 1.555000      ?             ?      
1 1 1 23 43 24 o -1.150000      1.591000      ?             ?      
1 1 1 23 43 25 o 0.3764000      1.586000      ?             ?      
1 1 1 23 43 26 o -1.165000      1.322000      ?             ?      
1 1 1 23 43 27 o 0.8266000E-01  1.310000      ?             ?      
1 1 1 23 43 28 o 1.640000       1.311000      ?             ?      
1 1 1 23 43 29 o -0.1069000     1.289000      ?             ?      
1 1 1 23 43 30 o 0.3180000      1.301000      ?             ?      
1 1 1 23 43 31 o -0.6714000     1.261000      ?             ?      
1 1 1 23 43 32 o -0.9584000     1.263000      ?             ?      
1 1 1 23 43 33 o 1.694000       1.438000      ?             ?      
1 1 1 23 43 34 o -1.741000      1.396000      ?             ?      
1 1 1 23 43 35 o -0.6960000     1.216000      ?             ?      
1 1 1 23 43 36 o -0.5997000     1.200000      ?             ?      
1 1 1 23 43 37 o 1.770000       1.344000      ?             ?      
1 1 1 23 43 38 o 1.431000       1.352000      ?             ?      
1 1 1 23 43 39 o 0.5387000      1.199000      ?             ?      
1 1 1 23 43 40 o -0.1282000E-01 1.219000      ?             ?      
1 1 1 23 43 41 o -1.620000      1.204000      ?             ?      
1 1 1 23 43 42 o -0.7264000E-01 1.215000      ?             ?      
1 1 1 23 43 43 o -0.5682000     1.316000      ?             ?      
1 1 1 23 43 44 o -0.8021000     1.314000      ?             ?      
1 1 1 23 43 45 o 0.2594000      1.279000      ?             ?      
1 1 1 23 43 46 o 0.7652000      1.073000      ?             ?      
1 1 1 23 43 47 o -0.2308000     1.008000      ?             ?      
1 1 1 23 43 48 o 0.3114000E-01  1.016000      ?             ?      
1 1 1 23 43 49 o -0.2649000     1.049000      ?             ?      
1 1 1 23 43 50 o 1.018000       1.291000      ?             ?      
1 1 1 23 44 0  o 1.058000       1.286000      16.31109      -90.0  
1 1 1 23 44 1  o 0.2659000E-01  0.8954000     24.24734      66.2   
1 1 1 23 44 2  o 0.7389000      0.9209000     72.95212      -131.1 
1 1 1 23 44 3  o -0.4823000     0.9833000     41.97347      74.7   
1 1 1 23 44 4  o 2.511000       1.012000      148.8037      -145.0 
1 1 1 23 44 5  o 0.6112000E-01  1.190000      125.1725      -53.7  
1 1 1 23 44 6  o -1.740000      1.019000      51.06965      -125.8 
1 1 1 23 44 7  o -0.3026000     1.048000      46.78244      -128.5 
1 1 1 23 44 8  o 1.277000       1.478000      50.38753      138.3  
1 1 1 23 44 9  o 0.4463000      1.520000      48.40025      -102.1 
1 1 1 23 44 10 o 2.463000       1.314000      154.7511      -46.9  
1 1 1 23 44 11 o -0.2610000     1.289000      58.85820      -177.9 
1 1 1 23 44 12 o 1.551000       1.322000      92.89146      -12.5  
1 1 1 23 44 13 o 2.320000       1.560000      52.14845      -55.2  
1 1 1 23 44 14 o 1.184000       1.586000      42.65839      -89.5  
1 1 1 23 44 15 o -1.138000      1.336000      72.60915      -72.3  
1 1 1 23 44 16 o 0.8129000      1.304000      87.02513      3.9    
1 1 1 23 44 17 o 1.790000       1.549000      44.29053      80.2   
1 1 1 23 44 18 o -5.227000      2.161000      ?             ?      
1 1 1 23 44 19 o 3.089000       2.199000      ?             ?      
1 1 1 23 44 20 o 3.396000       1.607000      ?             ?      
1 1 1 23 44 21 o -0.2018000     1.560000      ?             ?      
1 1 1 23 44 22 o 0.9115000      1.546000      ?             ?      
1 1 1 23 44 23 o 0.3050000      1.556000      ?             ?      
1 1 1 23 44 24 o -0.7549000     1.550000      ?             ?      
1 1 1 23 44 25 o -0.8016000     1.576000      ?             ?      
1 1 1 23 44 26 o 0.6728000      1.573000      ?             ?      
1 1 1 23 44 27 o 2.981000       1.601000      ?             ?      
1 1 1 23 44 28 o -2.183000      1.278000      ?             ?      
1 1 1 23 44 29 o 1.227000       1.270000      ?             ?      
1 1 1 23 44 30 o -0.5362000     1.244000      ?             ?      
1 1 1 23 44 31 o -0.1424000     1.257000      ?             ?      
1 1 1 23 44 32 o -0.7803000     1.250000      ?             ?      
1 1 1 23 44 33 o 0.8922000      1.439000      ?             ?      
1 1 1 23 44 34 o -0.6115000     1.449000      ?             ?      
1 1 1 23 44 35 o -0.8682000     1.274000      ?             ?      
1 1 1 23 44 36 o -0.4738000E-01 1.410000      ?             ?      
1 1 1 23 44 37 o 0.9377000      1.359000      ?             ?      
1 1 1 23 44 38 o -0.9773000     1.199000      ?             ?      
1 1 1 23 44 39 o 0.5143000      1.206000      ?             ?      
1 1 1 23 44 40 o -0.9419000     1.219000      ?             ?      
1 1 1 23 44 41 o -0.7022000     1.221000      ?             ?      
1 1 1 23 44 42 o -0.4596000     1.237000      ?             ?      
1 1 1 23 44 43 o 0.3644000      1.217000      ?             ?      
1 1 1 23 44 44 o -0.4547000     1.225000      ?             ?      
1 1 1 23 44 45 f -0.5457000     1.421000      ?             ?      
1 1 1 23 44 46 o -1.675000      1.288000      ?             ?      
1 1 1 23 44 47 o -0.1285000     1.304000      ?             ?      
1 1 1 23 44 48 o 0.3286000      1.030000      ?             ?      
1 1 1 23 44 49 o -0.9812000     1.251000      ?             ?      
1 1 1 23 45 0  o -1.928000      1.283000      26.23752      90.0   
1 1 1 23 45 1  o -1.273000      0.8985000     51.39492      -50.4  
1 1 1 23 45 2  o 0.9665000      0.9225000     36.64674      -117.3 
1 1 1 23 45 3  o 4.131000       1.002000      233.1188      -18.2  
1 1 1 23 45 4  o 0.9756000      0.9819000     148.3113      170.2  
1 1 1 23 45 5  o 1.006000       1.060000      68.81527      -11.5  
1 1 1 23 45 6  o 1.259000       1.015000      156.6011      -0.2   
1 1 1 23 45 7  o 0.1336000      1.032000      114.6762      -59.3  
1 1 1 23 45 8  o -3.382000      1.284000      27.03677      -46.9  
1 1 1 23 45 9  o 0.4382000      1.308000      54.15313      21.9   
1 1 1 23 45 10 o 2.595000       1.370000      118.9107      -18.9  
1 1 1 23 45 11 o -0.9358000     1.354000      34.11599      -9.5   
1 1 1 23 45 12 o 0.4732000      1.488000      42.05462      25.1   
1 1 1 23 45 13 o 1.728000       1.503000      151.1935      12.1   
1 1 1 23 45 14 o 1.871000       1.332000      ?             ?      
1 1 1 23 45 15 o -1.704000      1.309000      ?             ?      
1 1 1 23 45 16 o 0.2292000      1.357000      ?             ?      
1 1 1 23 45 17 o -1.979000      1.567000      ?             ?      
1 1 1 23 45 18 o -3.226000      2.052000      ?             ?      
1 1 1 23 45 19 o 1.111000       2.059000      ?             ?      
1 1 1 23 45 20 o -0.5730000E-01 1.477000      ?             ?      
1 1 1 23 45 21 o 2.610000       1.507000      ?             ?      
1 1 1 23 45 22 o -0.1960000E-01 1.530000      ?             ?      
1 1 1 23 45 23 o -1.026000      1.529000      ?             ?      
1 1 1 23 45 24 o -0.5272000E-01 1.574000      ?             ?      
1 1 1 23 45 25 o -0.2790000     1.560000      ?             ?      
1 1 1 23 45 26 o 1.443000       1.571000      ?             ?      
1 1 1 23 45 27 o 2.764000       1.578000      ?             ?      
1 1 1 23 45 28 o -0.9057000     1.560000      ?             ?      
1 1 1 23 45 29 o 0.4902000      1.253000      ?             ?      
1 1 1 23 45 30 o 1.189000       1.269000      ?             ?      
1 1 1 23 45 31 o -0.2019000     1.276000      ?             ?      
1 1 1 23 45 32 o 1.203000       1.496000      ?             ?      
1 1 1 23 45 33 o -0.5274000     1.492000      ?             ?      
1 1 1 23 45 34 o 0.4766000      1.282000      ?             ?      
1 1 1 23 45 35 o -1.450000      1.272000      ?             ?      
1 1 1 23 45 36 o -0.9873000     1.451000      ?             ?      
1 1 1 23 45 37 o 0.1863000      1.427000      ?             ?      
1 1 1 23 45 38 o -0.5645000     1.220000      ?             ?      
1 1 1 23 45 39 o -1.161000      1.228000      ?             ?      
1 1 1 23 45 40 o 3.598000       1.230000      ?             ?      
1 1 1 23 45 41 o -0.9703000E-01 1.220000      ?             ?      
1 1 1 23 45 42 o -1.437000      1.225000      ?             ?      
1 1 1 23 45 43 o 1.342000       1.252000      ?             ?      
1 1 1 23 45 44 o 1.259000       1.231000      ?             ?      
1 1 1 23 45 45 o -0.6753000     1.167000      ?             ?      
1 1 1 23 45 46 o -0.1499000     1.462000      ?             ?      
1 1 1 23 45 47 o 1.850000       1.348000      ?             ?      
1 1 1 23 46 0  o -0.4956000     1.307000      2.104921      -90.0  
1 1 1 23 46 1  o 0.5430000      0.9122000     137.7059      19.4   
1 1 1 23 46 2  o 0.8414000      0.9083000     90.39215      151.5  
1 1 1 23 46 3  o -0.9597000E-01 1.064000      40.66696      -25.1  
1 1 1 23 46 4  o 0.9828000      1.044000      49.13981      88.4   
1 1 1 23 46 5  o -0.7798000     1.021000      30.59057      -10.8  
1 1 1 23 46 6  o 0.6795000      0.9798000     64.26199      116.2  
1 1 1 23 46 7  o -0.6945000     1.023000      128.7492      73.0   
1 1 1 23 46 8  o 0.6991000      1.303000      ?             ?      
1 1 1 23 46 9  o 2.361000       1.296000      ?             ?      
1 1 1 23 46 10 o -1.841000      1.219000      ?             ?      
1 1 1 23 46 11 o -1.872000      1.416000      ?             ?      
1 1 1 23 46 12 o 1.413000       1.448000      ?             ?      
1 1 1 23 46 13 o 0.5478000      1.544000      ?             ?      
1 1 1 23 46 14 o -0.5190000     1.329000      ?             ?      
1 1 1 23 46 15 o 0.8859000E-01  1.266000      ?             ?      
1 1 1 23 46 16 o 1.000000       1.270000      ?             ?      
1 1 1 23 46 17 o -2.289000      1.493000      ?             ?      
1 1 1 23 46 18 o -3.200000      2.007000      ?             ?      
1 1 1 23 46 19 o 1.204000       2.018000      ?             ?      
1 1 1 23 46 20 o -0.5386000     1.456000      ?             ?      
1 1 1 23 46 21 o 1.759000       1.538000      ?             ?      
1 1 1 23 46 22 o -0.4245000     1.531000      ?             ?      
1 1 1 23 46 23 o -1.570000      1.545000      ?             ?      
1 1 1 23 46 24 o -0.1484000E-01 1.533000      ?             ?      
1 1 1 23 46 25 o -0.8552000     1.546000      ?             ?      
1 1 1 23 46 26 o 0.8951000      1.557000      ?             ?      
1 1 1 23 46 27 o -2.204000      1.535000      ?             ?      
1 1 1 23 46 28 o 0.9836000      1.572000      ?             ?      
1 1 1 23 46 29 o 0.2039000      1.552000      ?             ?      
1 1 1 23 46 30 o 0.9587000      1.306000      ?             ?      
1 1 1 23 46 31 o -1.660000      1.296000      ?             ?      
1 1 1 23 46 32 o 1.030000       1.507000      ?             ?      
1 1 1 23 46 33 o 0.5029000      1.297000      ?             ?      
1 1 1 23 46 34 o -1.068000      1.281000      ?             ?      
1 1 1 23 46 35 o -0.2734000     1.477000      ?             ?      
1 1 1 23 46 36 o 0.6482000      1.473000      ?             ?      
1 1 1 23 46 37 o -0.2312000     1.282000      ?             ?      
1 1 1 23 46 38 o -0.9141000     1.261000      ?             ?      
1 1 1 23 46 39 o -0.3902000     1.256000      ?             ?      
1 1 1 23 46 40 o -1.946000      1.215000      ?             ?      
1 1 1 23 46 41 o 0.7248000      1.222000      ?             ?      
1 1 1 23 46 42 o -1.257000      1.223000      ?             ?      
1 1 1 23 46 43 o 1.254000       1.254000      ?             ?      
1 1 1 23 46 44 o 0.2019000      1.271000      ?             ?      
1 1 1 23 46 45 o 1.197000       1.261000      ?             ?      
1 1 1 23 46 46 o 1.166000       2.241000      ?             ?      
1 1 1 23 47 0  o 1.114000       1.627000      ?             ?      
1 1 1 23 47 1  o 1.975000       1.020000      ?             ?      
1 1 1 23 47 2  o -0.4711000     1.005000      ?             ?      
1 1 1 23 47 3  o 1.971000       0.9373000     ?             ?      
1 1 1 23 47 4  o 1.407000       0.9363000     ?             ?      
1 1 1 23 47 5  o 1.518000       1.010000      ?             ?      
1 1 1 23 47 6  o -0.5035000     0.9586000     ?             ?      
1 1 1 23 47 7  o -0.8710000     0.9717000     ?             ?      
1 1 1 23 47 8  o -1.178000      1.236000      ?             ?      
1 1 1 23 47 9  o -1.074000      1.284000      ?             ?      
1 1 1 23 47 10 o 0.2124000      1.240000      ?             ?      
1 1 1 23 47 11 o -0.4963000     1.424000      ?             ?      
1 1 1 23 47 12 o 0.2523000      1.451000      ?             ?      
1 1 1 23 47 13 o 2.939000       1.270000      ?             ?      
1 1 1 23 47 14 o 0.4996000      1.254000      ?             ?      
1 1 1 23 47 15 o -0.1869000     1.237000      ?             ?      
1 1 1 23 47 16 o 0.7378000      1.256000      ?             ?      
1 1 1 23 47 17 o -0.6490000     1.989000      ?             ?      
1 1 1 23 47 18 o 0.3175000E-01  1.970000      ?             ?      
1 1 1 23 47 19 o 0.3809000      1.454000      ?             ?      
1 1 1 23 47 20 o 1.787000       1.505000      ?             ?      
1 1 1 23 47 21 o 1.836000       1.512000      ?             ?      
1 1 1 23 47 22 o 0.8350000      1.520000      ?             ?      
1 1 1 23 47 23 o 0.4560000      1.527000      ?             ?      
1 1 1 23 47 24 o 0.2517000      1.536000      ?             ?      
1 1 1 23 47 25 o -0.8210000     1.538000      ?             ?      
1 1 1 23 47 26 o -0.8328000E-01 1.581000      ?             ?      
1 1 1 23 47 27 o -1.872000      1.530000      ?             ?      
1 1 1 23 47 28 o -1.697000      1.549000      ?             ?      
1 1 1 23 47 29 o -0.1247000     1.534000      ?             ?      
1 1 1 23 47 30 o -1.206000      1.572000      ?             ?      
1 1 1 23 47 31 o 0.5349000      2.164000      ?             ?      
1 1 1 23 47 32 o 0.5199000      1.541000      ?             ?      
1 1 1 23 47 33 o 0.6034000      1.304000      ?             ?      
1 1 1 23 47 34 o 0.8146000      1.321000      ?             ?      
1 1 1 23 47 35 o 0.2812000      1.506000      ?             ?      
1 1 1 23 47 36 o 0.1094000      1.303000      ?             ?      
1 1 1 23 47 37 o 0.2724000E-01  1.282000      ?             ?      
1 1 1 23 47 38 o 0.8233000      1.291000      ?             ?      
1 1 1 23 47 39 o -2.212000      1.306000      ?             ?      
1 1 1 23 47 40 o 3.515000       1.286000      ?             ?      
1 1 1 23 47 41 o 0.5354000      1.236000      ?             ?      
1 1 1 23 47 42 o -0.9748000     1.234000      ?             ?      
1 1 1 23 47 43 o 1.093000       1.225000      ?             ?      
1 1 1 23 47 44 o 0.5115000      1.239000      ?             ?      
1 1 1 23 47 45 o 1.476000       1.792000      ?             ?      
1 1 1 23 48 0  o 4.180000       1.379000      ?             ?      
1 1 1 23 48 1  o 0.4958000      1.063000      ?             ?      
1 1 1 23 48 2  o 0.4361000      1.066000      ?             ?      
1 1 1 23 48 3  o 0.9267000      0.9927000     ?             ?      
1 1 1 23 48 4  o -0.1533000     0.9063000     ?             ?      
1 1 1 23 48 5  o 0.8167000      0.9987000     ?             ?      
1 1 1 23 48 6  o 1.113000       1.042000      ?             ?      
1 1 1 23 48 7  o 1.768000       1.039000      ?             ?      
1 1 1 23 48 8  o -0.6444000E-01 1.211000      ?             ?      
1 1 1 23 48 9  o 1.748000       1.229000      ?             ?      
1 1 1 23 48 10 o 2.351000       1.383000      ?             ?      
1 1 1 23 48 11 o 1.010000       1.384000      ?             ?      
1 1 1 23 48 12 o -0.1412000     1.433000      ?             ?      
1 1 1 23 48 13 o -0.2992000     1.238000      ?             ?      
1 1 1 23 48 14 o 1.562000       1.231000      ?             ?      
1 1 1 23 48 15 o -0.2453000     1.221000      ?             ?      
1 1 1 23 48 16 o 1.583000       1.243000      ?             ?      
1 1 1 23 48 17 o 1.554000       1.941000      ?             ?      
1 1 1 23 48 18 o 2.450000       1.977000      ?             ?      
1 1 1 23 48 19 o 1.640000       1.514000      ?             ?      
1 1 1 23 48 20 o 0.7945000      1.514000      ?             ?      
1 1 1 23 48 21 o -0.3402000     1.513000      ?             ?      
1 1 1 23 48 22 o 0.2536000      2.834000      ?             ?      
1 1 1 23 48 23 o -0.6338000     1.501000      ?             ?      
1 1 1 23 48 24 o -0.6581000     1.527000      ?             ?      
1 1 1 23 48 25 o -0.2255000E-01 1.537000      ?             ?      
1 1 1 23 48 26 o 0.9755000      1.551000      ?             ?      
1 1 1 23 48 27 o 2.311000       1.568000      ?             ?      
1 1 1 23 48 28 o 1.330000       1.578000      ?             ?      
1 1 1 23 48 29 o 0.5225000      1.567000      ?             ?      
1 1 1 23 48 30 o 2.729000       2.177000      ?             ?      
1 1 1 23 48 31 o 0.9880000      2.119000      ?             ?      
1 1 1 23 48 32 o 1.288000       1.620000      ?             ?      
1 1 1 23 48 33 o 0.3727000      1.340000      ?             ?      
1 1 1 23 48 34 o 1.453000       1.553000      ?             ?      
1 1 1 23 48 35 o 0.6666000      1.527000      ?             ?      
1 1 1 23 48 36 o 1.641000       1.322000      ?             ?      
1 1 1 23 48 37 o 0.5420000      1.312000      ?             ?      
1 1 1 23 48 38 o -0.5181000E-01 1.311000      ?             ?      
1 1 1 23 48 39 o 0.4515000      1.301000      ?             ?      
1 1 1 23 48 40 o -1.505000      1.302000      ?             ?      
1 1 1 23 48 41 o 1.604000       1.297000      ?             ?      
1 1 1 23 48 42 o -1.271000      1.243000      ?             ?      
1 1 1 23 48 43 o 0.3452000      1.243000      ?             ?      
1 1 1 23 48 44 < 0.000000       -1.000000     ?             ?      
1 1 1 23 49 0  o 0.1928000      1.218000      ?             ?      
1 1 1 23 49 1  o 1.017000       0.8549000     ?             ?      
1 1 1 23 49 2  o 0.4314000      0.8881000     ?             ?      
1 1 1 23 49 3  o 0.6851000      0.9181000     ?             ?      
1 1 1 23 49 4  o 0.7191000      1.021000      ?             ?      
1 1 1 23 49 5  o 0.1651000      1.085000      ?             ?      
1 1 1 23 49 6  o 1.571000       1.101000      ?             ?      
1 1 1 23 49 7  o -0.2836000     1.267000      ?             ?      
1 1 1 23 49 8  o -0.8056000     1.193000      ?             ?      
1 1 1 23 49 9  o -0.5723000     1.223000      ?             ?      
1 1 1 23 49 10 o 0.7367000      1.372000      ?             ?      
1 1 1 23 49 11 o 1.671000       1.399000      ?             ?      
1 1 1 23 49 12 o 0.4867000      1.222000      ?             ?      
1 1 1 23 49 13 o 4.797000       1.244000      ?             ?      
1 1 1 23 49 14 o 2.840000       1.244000      ?             ?      
1 1 1 23 49 15 o 0.7408000      1.226000      ?             ?      
1 1 1 23 49 16 o -0.8073000     1.427000      ?             ?      
1 1 1 23 49 17 o -3.044000      1.958000      ?             ?      
1 1 1 23 49 18 o -1.341000      1.498000      ?             ?      
1 1 1 23 49 19 o 0.9673000      1.501000      ?             ?      
1 1 1 23 49 20 o -0.1640000     1.497000      ?             ?      
1 1 1 23 49 21 o 0.5760000E-01  1.525000      ?             ?      
1 1 1 23 49 22 o 2.448000       1.520000      ?             ?      
1 1 1 23 49 23 o 4.444000       1.516000      ?             ?      
1 1 1 23 49 24 o 0.2501000      1.524000      ?             ?      
1 1 1 23 49 25 o 1.606000       1.546000      ?             ?      
1 1 1 23 49 26 o -0.9561000     1.545000      ?             ?      
1 1 1 23 49 27 o 0.9612000      1.587000      ?             ?      
1 1 1 23 49 28 o 3.989000       1.595000      ?             ?      
1 1 1 23 49 29 o -0.4864000     1.600000      ?             ?      
1 1 1 23 49 30 o 1.221000       2.148000      ?             ?      
1 1 1 23 49 31 o -0.7429000E-01 1.644000      ?             ?      
1 1 1 23 49 32 o 0.6312000      1.592000      ?             ?      
1 1 1 23 49 33 o 0.1409000      1.617000      ?             ?      
1 1 1 23 49 34 o -1.844000      1.586000      ?             ?      
1 1 1 23 49 35 o -0.7791000     1.309000      ?             ?      
1 1 1 23 49 36 o -0.7500000     1.300000      ?             ?      
1 1 1 23 49 37 o 0.8271000      1.334000      ?             ?      
1 1 1 23 49 38 o -2.462000      1.305000      ?             ?      
1 1 1 23 49 39 o -0.4195000     1.320000      ?             ?      
1 1 1 23 49 40 o 0.2605000      1.314000      ?             ?      
1 1 1 23 49 41 o 1.621000       2.427000      ?             ?      
1 1 1 23 49 42 o 1.243000       1.734000      ?             ?      
1 1 1 23 50 0  o 0.6311000      1.356000      ?             ?      
1 1 1 23 50 1  o 0.1236000      0.8976000     ?             ?      
1 1 1 23 50 2  o -0.4297000     0.8547000     ?             ?      
1 1 1 23 50 3  o 2.024000       0.8571000     ?             ?      
1 1 1 23 50 4  o 1.124000       1.002000      ?             ?      
1 1 1 23 50 5  o -0.4869000     1.085000      ?             ?      
1 1 1 23 50 6  o -1.631000      0.9760000     ?             ?      
1 1 1 23 50 7  o -0.8077000     0.9047000     ?             ?      
1 1 1 23 50 8  o -0.6537000     1.243000      ?             ?      
1 1 1 23 50 9  o 1.366000       1.371000      ?             ?      
1 1 1 23 50 10 o -0.1980000     1.393000      ?             ?      
1 1 1 23 50 11 o 3.390000       1.225000      ?             ?      
1 1 1 23 50 12 o -0.6919000E-01 1.197000      ?             ?      
1 1 1 23 50 13 o 1.111000       1.173000      ?             ?      
1 1 1 23 50 14 o -1.546000      1.191000      ?             ?      
1 1 1 23 50 15 o -1.184000      1.209000      ?             ?      
1 1 1 23 50 16 o -0.6567000     1.418000      ?             ?      
1 1 1 23 50 17 o -1.909000      2.107000      ?             ?      
1 1 1 23 50 18 o -0.7324000     1.488000      ?             ?      
1 1 1 23 50 19 o 0.8927000      1.509000      ?             ?      
1 1 1 23 50 20 o -0.7041000     1.475000      ?             ?      
1 1 1 23 50 21 o 1.389000       1.502000      ?             ?      
1 1 1 23 50 22 o 0.2926000      1.484000      ?             ?      
1 1 1 23 50 23 o 1.100000       1.501000      ?             ?      
1 1 1 23 50 24 o 0.9562000      1.527000      ?             ?      
1 1 1 23 50 25 o 0.2784000      1.522000      ?             ?      
1 1 1 23 50 26 o 0.8862000      1.551000      ?             ?      
1 1 1 23 50 27 o 0.7211000E-01  1.548000      ?             ?      
1 1 1 23 50 28 o -2.278000      1.573000      ?             ?      
1 1 1 23 50 29 o 2.722000       2.201000      ?             ?      
1 1 1 23 50 30 o -0.9675000E-02 2.168000      ?             ?      
1 1 1 23 50 31 o 0.4425000      1.603000      ?             ?      
1 1 1 23 50 32 o -1.093000      1.621000      ?             ?      
1 1 1 23 50 33 o 4.442000       2.365000      ?             ?      
1 1 1 23 50 34 o -0.2339000     2.232000      ?             ?      
1 1 1 23 50 35 o -0.4041000     1.618000      ?             ?      
1 1 1 23 50 36 o -0.9623000     1.344000      ?             ?      
1 1 1 23 50 37 o 1.009000       1.317000      ?             ?      
1 1 1 23 50 38 o 2.038000       1.352000      ?             ?      
1 1 1 23 50 39 o -0.8530000     1.331000      ?             ?      
1 1 1 23 50 40 o -0.1033000     1.675000      ?             ?      
1 1 1 23 51 0  o 3.673000       1.253000      ?             ?      
1 1 1 23 51 1  o 2.672000       0.9400000     ?             ?      
1 1 1 23 51 2  o 2.805000       0.9828000     ?             ?      
1 1 1 23 51 3  o 1.888000       0.8750000     ?             ?      
1 1 1 23 51 4  o 0.4316000      0.8724000     ?             ?      
1 1 1 23 51 5  o -0.8058000     0.8677000     ?             ?      
1 1 1 23 51 6  o 0.6737000      0.9198000     ?             ?      
1 1 1 23 51 7  o -0.8835000     0.8946000     ?             ?      
1 1 1 23 51 8  o -0.4812000     1.432000      ?             ?      
1 1 1 23 51 9  o 0.5292000      1.859000      ?             ?      
1 1 1 23 51 10 o -1.364000      1.827000      ?             ?      
1 1 1 23 51 11 o 1.633000       1.168000      ?             ?      
1 1 1 23 51 12 o -1.443000      1.170000      ?             ?      
1 1 1 23 51 13 o 0.9390000      1.178000      ?             ?      
1 1 1 23 51 14 o 0.4695000      1.175000      ?             ?      
1 1 1 23 51 15 o 0.4791000      1.462000      ?             ?      
1 1 1 23 51 16 o 0.4982000      1.490000      ?             ?      
1 1 1 23 51 17 o -3.805000      1.508000      ?             ?      
1 1 1 23 51 18 o -2.553000      1.480000      ?             ?      
1 1 1 23 51 19 o 0.9824000      1.483000      ?             ?      
1 1 1 23 51 20 o 0.3214000      1.496000      ?             ?      
1 1 1 23 51 21 o 0.4006000      1.474000      ?             ?      
1 1 1 23 51 22 o -0.8790000     1.480000      ?             ?      
1 1 1 23 51 23 o 2.739000       1.531000      ?             ?      
1 1 1 23 51 24 o -0.4592000     1.516000      ?             ?      
1 1 1 23 51 25 o 1.328000       1.517000      ?             ?      
1 1 1 23 51 26 o 0.8098000      1.533000      ?             ?      
1 1 1 23 51 27 o 0.9747000      1.573000      ?             ?      
1 1 1 23 51 28 o 3.722000       2.228000      ?             ?      
1 1 1 23 51 29 o 1.943000       2.199000      ?             ?      
1 1 1 23 51 30 o -1.750000      1.630000      ?             ?      
1 1 1 23 51 31 o 3.745000       1.669000      ?             ?      
1 1 1 23 51 32 o 1.998000       1.678000      ?             ?      
1 1 1 23 51 33 o 1.577000       2.352000      ?             ?      
1 1 1 23 51 34 o 0.8997000      1.675000      ?             ?      
1 1 1 23 51 35 o 0.3929000      1.625000      ?             ?      
1 1 1 23 51 36 o 0.8020000      1.631000      ?             ?      
1 1 1 23 51 37 o -0.2699000     1.343000      ?             ?      
1 1 1 23 51 38 o 0.8423000      1.677000      ?             ?      
1 1 1 23 51 39 o 1.142000       1.685000      ?             ?      
1 1 1 23 52 0  o 1.066000       1.175000      ?             ?      
1 1 1 23 52 1  o 1.233000       0.8216000     ?             ?      
1 1 1 23 52 2  o 0.4471000      0.8906000     ?             ?      
1 1 1 23 52 3  o 0.5070000      0.8828000     ?             ?      
1 1 1 23 52 4  o -0.8404000E-01 0.8456000     ?             ?      
1 1 1 23 52 5  o -0.3035000     0.8556000     ?             ?      
1 1 1 23 52 6  o 1.720000       0.9697000     ?             ?      
1 1 1 23 52 7  f 1.819000       0.9635000     ?             ?      
1 1 1 23 52 8  o -0.2853000     1.362000      ?             ?      
1 1 1 23 52 9  o 0.1864000      1.409000      ?             ?      
1 1 1 23 52 10 o 1.443000       1.169000      ?             ?      
1 1 1 23 52 11 o 1.866000       1.161000      ?             ?      
1 1 1 23 52 12 o -1.209000      1.345000      ?             ?      
1 1 1 23 52 13 o -2.166000      1.366000      ?             ?      
1 1 1 23 52 14 o -0.6571000E-01 1.206000      ?             ?      
1 1 1 23 52 15 o 1.416000       1.453000      ?             ?      
1 1 1 23 52 16 o -1.002000      2.039000      ?             ?      
1 1 1 23 52 17 o -1.535000      1.476000      ?             ?      
1 1 1 23 52 18 o 2.081000       1.489000      ?             ?      
1 1 1 23 52 19 o -0.5921000     1.487000      ?             ?      
1 1 1 23 52 20 o -0.1779000E-01 1.496000      ?             ?      
1 1 1 23 52 21 o 1.563000       1.493000      ?             ?      
1 1 1 23 52 22 o 1.038000       1.489000      ?             ?      
1 1 1 23 52 23 o 0.9942000      1.519000      ?             ?      
1 1 1 23 52 24 o -0.5189000     1.505000      ?             ?      
1 1 1 23 52 25 o -1.933000      1.525000      ?             ?      
1 1 1 23 52 26 o -0.4244000     1.530000      ?             ?      
1 1 1 23 52 27 o 0.9772000      1.576000      ?             ?      
1 1 1 23 52 28 o 3.139000       2.208000      ?             ?      
1 1 1 23 52 29 o 2.854000       2.170000      ?             ?      
1 1 1 23 52 30 o -0.5498000     1.602000      ?             ?      
1 1 1 23 52 31 o 1.721000       1.642000      ?             ?      
1 1 1 23 52 32 o 2.112000       2.332000      ?             ?      
1 1 1 23 52 33 o 2.529000       2.274000      ?             ?      
1 1 1 23 52 34 o -0.6742000     1.612000      ?             ?      
1 1 1 23 52 35 o 0.3554000      1.651000      ?             ?      
1 1 1 23 52 36 o 0.7022000      1.692000      ?             ?      
1 1 1 23 52 37 f -3.467000      1.661000      ?             ?      
1 1 1 23 53 0  o -1.171000      1.129000      ?             ?      
1 1 1 23 53 1  o -0.2183000     0.7960000     ?             ?      
1 1 1 23 53 2  o -0.4263000E-01 0.7929000     ?             ?      
1 1 1 23 53 3  o 0.8313000E-01  0.7896000     ?             ?      
1 1 1 23 53 4  o -0.8613000     0.8337000     ?             ?      
1 1 1 23 53 5  o -1.269000      0.9366000     ?             ?      
1 1 1 23 53 6  o -1.030000      0.9862000     ?             ?      
1 1 1 23 53 7  o 0.2853000      0.9238000     ?             ?      
1 1 1 23 53 8  o -0.4913000     1.351000      ?             ?      
1 1 1 23 53 9  o -1.090000      1.386000      ?             ?      
1 1 1 23 53 10 o 1.852000       1.368000      ?             ?      
1 1 1 23 53 11 o 0.3812000      1.143000      ?             ?      
1 1 1 23 53 12 o -0.3021000     1.155000      ?             ?      
1 1 1 23 53 13 o 1.484000       1.193000      ?             ?      
1 1 1 23 53 14 o 1.272000       1.437000      ?             ?      
1 1 1 23 53 15 o 1.220000       1.457000      ?             ?      
1 1 1 23 53 16 o -1.087000      2.043000      ?             ?      
1 1 1 23 53 17 o -0.2272000     2.027000      ?             ?      
1 1 1 23 53 18 o 3.243000       1.520000      ?             ?      
1 1 1 23 53 19 o -2.078000      1.499000      ?             ?      
1 1 1 23 53 20 o 1.072000       1.506000      ?             ?      
1 1 1 23 53 21 o -0.5773000     1.520000      ?             ?      
1 1 1 23 53 22 o 1.970000       1.514000      ?             ?      
1 1 1 23 53 23 o 0.5989000      1.521000      ?             ?      
1 1 1 23 53 24 o 1.179000       1.542000      ?             ?      
1 1 1 23 53 25 o -2.895000      1.539000      ?             ?      
1 1 1 23 53 26 o 4.938000       1.609000      ?             ?      
1 1 1 23 53 27 o -0.1174000     1.037000      ?             ?      
1 1 1 23 53 28 o 0.6396000      2.120000      ?             ?      
1 1 1 23 53 29 o 0.9105000E-01  1.606000      ?             ?      
1 1 1 23 53 30 o -1.418000      1.598000      ?             ?      
1 1 1 23 53 31 o -1.006000      1.659000      ?             ?      
1 1 1 23 53 32 o 1.173000       2.317000      ?             ?      
1 1 1 23 53 33 o 1.027000       1.658000      ?             ?      
1 1 1 23 53 34 o 1.070000       1.652000      ?             ?      
1 1 1 23 53 35 o -1.439000      1.682000      ?             ?      
1 1 1 23 54 0  o -1.618000      1.121000      ?             ?      
1 1 1 23 54 1  o 1.219000       0.8199000     ?             ?      
1 1 1 23 54 2  o 3.061000       0.8016000     ?             ?      
1 1 1 23 54 3  o -0.1490000     0.7862000     ?             ?      
1 1 1 23 54 4  o 0.7809000      0.7963000     ?             ?      
1 1 1 23 54 5  o 0.3705000      0.8428000     ?             ?      
1 1 1 23 54 6  o -1.409000      0.8775000     ?             ?      
1 1 1 23 54 7  o -0.8715000E-01 0.9153000     ?             ?      
1 1 1 23 54 8  o -0.4829000     1.391000      ?             ?      
1 1 1 23 54 9  o 1.244000       1.208000      ?             ?      
1 1 1 23 54 10 o 0.2531000      1.140000      ?             ?      
1 1 1 23 54 11 o 0.3832000      1.161000      ?             ?      
1 1 1 23 54 12 o -1.220000      1.162000      ?             ?      
1 1 1 23 54 13 o 0.1061000      1.390000      ?             ?      
1 1 1 23 54 14 o -0.6831000E-01 1.906000      ?             ?      
1 1 1 23 54 15 o -0.4467000     1.437000      ?             ?      
1 1 1 23 54 16 o 2.107000       1.467000      ?             ?      
1 1 1 23 54 17 o 1.739000       1.476000      ?             ?      
1 1 1 23 54 18 o -0.7212000     1.523000      ?             ?      
1 1 1 23 54 19 o 1.163000       2.120000      ?             ?      
1 1 1 23 54 20 o -0.4045000     2.102000      ?             ?      
1 1 1 23 54 21 o 0.4155000      2.123000      ?             ?      
1 1 1 23 54 22 o 0.3423000      1.515000      ?             ?      
1 1 1 23 54 23 o 0.3783000      1.537000      ?             ?      
1 1 1 23 54 24 o 0.4009000      1.547000      ?             ?      
1 1 1 23 54 25 o -0.6554000     1.577000      ?             ?      
1 1 1 23 54 26 o 2.441000       1.655000      ?             ?      
1 1 1 23 54 27 o 2.819000       2.232000      ?             ?      
1 1 1 23 54 28 o 2.335000       1.703000      ?             ?      
1 1 1 23 54 29 o 2.562000       3.054000      ?             ?      
1 1 1 23 54 30 o 1.911000       1.713000      ?             ?      
1 1 1 23 54 31 o -1.781000      2.267000      ?             ?      
1 1 1 23 54 32 o -0.7666000     4.312000      ?             ?      
1 1 1 23 54 33 o 2.070000       1.702000      ?             ?      
1 1 1 23 55 0  o 0.8010000      1.134000      ?             ?      
1 1 1 23 55 1  o 0.2396000      0.8119000     ?             ?      
1 1 1 23 55 2  o -0.4138000     0.7831000     ?             ?      
1 1 1 23 55 3  o -0.1994000     0.7797000     ?             ?      
1 1 1 23 55 4  o -0.2535000     0.7907000     ?             ?      
1 1 1 23 55 5  o 0.3756000      0.8335000     ?             ?      
1 1 1 23 55 6  o 0.8240000      0.9348000     ?             ?      
1 1 1 23 55 7  o 1.544000       0.9561000     ?             ?      
1 1 1 23 55 8  o 1.207000       1.393000      ?             ?      
1 1 1 23 55 9  o -0.2784000     1.204000      ?             ?      
1 1 1 23 55 10 o -0.6026000     1.151000      ?             ?      
1 1 1 23 55 11 o 1.228000       1.176000      ?             ?      
1 1 1 23 55 12 o 0.7539000      1.177000      ?             ?      
1 1 1 23 55 13 o 0.9980000      1.203000      ?             ?      
1 1 1 23 55 14 o 0.7738000      1.433000      ?             ?      
1 1 1 23 55 15 o -0.5532000     1.451000      ?             ?      
1 1 1 23 55 16 o 0.1987000E-01  1.975000      ?             ?      
1 1 1 23 55 17 o 4.006000       1.994000      ?             ?      
1 1 1 23 55 18 o -0.9364000     2.010000      ?             ?      
1 1 1 23 55 19 o -1.797000      1.495000      ?             ?      
1 1 1 23 55 20 o -0.1024000     1.505000      ?             ?      
1 1 1 23 55 21 o 2.883000       1.581000      ?             ?      
1 1 1 23 55 22 o -0.5358000E-01 1.636000      ?             ?      
1 1 1 23 55 23 o 0.7629000      2.171000      ?             ?      
1 1 1 23 55 24 o 1.218000       2.245000      ?             ?      
1 1 1 23 55 25 o 0.2046000      1.173000      ?             ?      
1 1 1 23 55 26 o -1.970000      2.135000      ?             ?      
1 1 1 23 55 27 o 2.142000       2.218000      ?             ?      
1 1 1 23 55 28 o 0.6311000      1.713000      ?             ?      
1 1 1 23 55 29 o -0.5909000     1.703000      ?             ?      
1 1 1 23 55 30 o -0.2585000     1.686000      ?             ?      
1 1 1 23 55 31 o -1.471000      2.279000      ?             ?      
1 1 1 23 56 0  o 2.037000       1.142000      ?             ?      
1 1 1 23 56 1  o 0.7919000      0.8071000     ?             ?      
1 1 1 23 56 2  o 0.3476000      0.7942000     ?             ?      
1 1 1 23 56 3  o 0.5095000      0.7876000     ?             ?      
1 1 1 23 56 4  o 1.034000       0.7972000     ?             ?      
1 1 1 23 56 5  o -0.6362000     0.8475000     ?             ?      
1 1 1 23 56 6  o 1.208000       0.9535000     ?             ?      
1 1 1 23 56 7  o 0.7283000      1.017000      ?             ?      
1 1 1 23 56 8  o 0.6654000      1.163000      ?             ?      
1 1 1 23 56 9  o -0.3262000     1.199000      ?             ?      
1 1 1 23 56 10 o 0.6909000E-01  1.164000      ?             ?      
1 1 1 23 56 11 o 0.4098000      1.168000      ?             ?      
1 1 1 23 56 12 o 1.714000       1.180000      ?             ?      
1 1 1 23 56 13 o 1.497000       1.422000      ?             ?      
1 1 1 23 56 14 o 0.4419000      1.430000      ?             ?      
1 1 1 23 56 15 o 0.9436000      1.217000      ?             ?      
1 1 1 23 56 16 o 2.279000       1.498000      ?             ?      
1 1 1 23 56 17 o 0.4014000      1.465000      ?             ?      
1 1 1 23 56 18 o 1.266000       0.9923000     ?             ?      
1 1 1 23 56 19 o 0.5516000      1.516000      ?             ?      
1 1 1 23 56 20 o 0.9683000      2.133000      ?             ?      
1 1 1 23 56 21 o -1.446000      2.049000      ?             ?      
1 1 1 23 56 22 o -4.198000      2.111000      ?             ?      
1 1 1 23 56 23 o -0.8066000     1.558000      ?             ?      
1 1 1 23 56 24 o -1.562000      1.581000      ?             ?      
1 1 1 23 56 25 o 0.3086000      2.142000      ?             ?      
1 1 1 23 56 26 o -2.777000      2.212000      ?             ?      
1 1 1 23 56 27 o -2.187000      2.293000      ?             ?      
1 1 1 23 56 28 o 1.180000       2.295000      ?             ?      
1 1 1 23 57 0  o -1.302000      1.117000      ?             ?      
1 1 1 23 57 1  o -0.4833000E-01 0.7939000     ?             ?      
1 1 1 23 57 2  o 0.6057000      0.7929000     ?             ?      
1 1 1 23 57 3  o 1.215000       0.7943000     ?             ?      
1 1 1 23 57 4  o -0.2934000     0.8029000     ?             ?      
1 1 1 23 57 5  o 1.520000       0.8755000     ?             ?      
1 1 1 23 57 6  o 0.5229000      1.024000      ?             ?      
1 1 1 23 57 7  o 0.9995000      1.566000      ?             ?      
1 1 1 23 57 8  o 0.8788000      1.167000      ?             ?      
1 1 1 23 57 9  o -0.2357000     1.204000      ?             ?      
1 1 1 23 57 10 o -2.521000      1.164000      ?             ?      
1 1 1 23 57 11 o 0.4094000      1.166000      ?             ?      
1 1 1 23 57 12 o 1.072000       1.185000      ?             ?      
1 1 1 23 57 13 o 0.5834000      1.436000      ?             ?      
1 1 1 23 57 14 o 0.7652000E-01  1.417000      ?             ?      
1 1 1 23 57 15 o 0.2259000      1.289000      ?             ?      
1 1 1 23 57 16 o 0.5267000      1.483000      ?             ?      
1 1 1 23 57 17 o -0.1237000     1.455000      ?             ?      
1 1 1 23 57 18 o 3.536000       1.530000      ?             ?      
1 1 1 23 57 19 o 0.4760000      1.524000      ?             ?      
1 1 1 23 57 20 o -0.8796000     2.827000      ?             ?      
1 1 1 23 57 21 o 1.977000       1.548000      ?             ?      
1 1 1 23 57 22 o -1.107000      1.551000      ?             ?      
1 1 1 23 57 23 o -1.159000      1.629000      ?             ?      
1 1 1 23 57 24 o 0.4753000      2.184000      ?             ?      
1 1 1 23 57 25 o 3.498000       2.281000      ?             ?      
1 1 1 23 57 26 o -4.442000      4.189000      ?             ?      
1 1 1 23 58 0  o -2.045000      1.130000      ?             ?      
1 1 1 23 58 1  o 0.6929000      0.8041000     ?             ?      
1 1 1 23 58 2  o -1.613000      0.7906000     ?             ?      
1 1 1 23 58 3  o -0.4148000     0.7889000     ?             ?      
1 1 1 23 58 4  o 0.5861000E-01  0.8136000     ?             ?      
1 1 1 23 58 5  o -0.2117000     0.8760000     ?             ?      
1 1 1 23 58 6  o 0.7746000      1.026000      ?             ?      
1 1 1 23 58 7  o -0.9626000     1.317000      ?             ?      
1 1 1 23 58 8  o -1.401000      1.118000      ?             ?      
1 1 1 23 58 9  o 1.796000       1.199000      ?             ?      
1 1 1 23 58 10 o 0.8388000      1.191000      ?             ?      
1 1 1 23 58 11 o 0.4011000      1.198000      ?             ?      
1 1 1 23 58 12 o 1.077000       1.437000      ?             ?      
1 1 1 23 58 13 o 1.250000       1.425000      ?             ?      
1 1 1 23 58 14 o 0.3302000      1.413000      ?             ?      
1 1 1 23 58 15 o -0.1527000     1.185000      ?             ?      
1 1 1 23 58 16 o -0.2485000     0.9499000     ?             ?      
1 1 1 23 58 17 o -0.3432000     1.466000      ?             ?      
1 1 1 23 58 18 o -0.8153000     1.482000      ?             ?      
1 1 1 23 58 19 o 0.5446000      1.518000      ?             ?      
1 1 1 23 58 20 o 0.2912000      1.527000      ?             ?      
1 1 1 23 58 21 o -0.6157000     1.540000      ?             ?      
1 1 1 23 58 22 o -1.447000      1.575000      ?             ?      
1 1 1 23 59 0  o 0.4001000      1.134000      ?             ?      
1 1 1 23 59 1  o 0.2016000      0.9019000     ?             ?      
1 1 1 23 59 2  o -0.4877000     0.7942000     ?             ?      
1 1 1 23 59 3  o 0.3056000      0.8027000     ?             ?      
1 1 1 23 59 4  o -0.7863000     0.8333000     ?             ?      
1 1 1 23 59 5  o -1.515000      0.9786000     ?             ?      
1 1 1 23 59 6  o 0.6436000E-01  1.008000      ?             ?      
1 1 1 23 59 7  o 1.582000       1.371000      ?             ?      
1 1 1 23 59 8  o 0.8549000E-01  1.162000      ?             ?      
1 1 1 23 59 9  o 0.6081000      1.175000      ?             ?      
1 1 1 23 59 10 o -2.113000      1.188000      ?             ?      
1 1 1 23 59 11 o 0.2300000      1.208000      ?             ?      
1 1 1 23 59 12 o 0.6299000      1.430000      ?             ?      
1 1 1 23 59 13 o -1.188000      1.435000      ?             ?      
1 1 1 23 59 14 o 0.3333000      1.217000      ?             ?      
1 1 1 23 59 15 o -0.3329000     1.460000      ?             ?      
1 1 1 23 59 16 o 0.8251000      1.468000      ?             ?      
1 1 1 23 59 17 o 0.3403000      1.487000      ?             ?      
1 1 1 23 59 18 o -1.520000      1.500000      ?             ?      
1 1 1 23 59 19 o -1.670000      1.526000      ?             ?      
1 1 1 23 60 0  o -0.6905000E-02 1.132000      ?             ?      
1 1 1 23 60 1  o 0.8533000      0.9103000     ?             ?      
1 1 1 23 60 2  o 1.642000       0.8101000     ?             ?      
1 1 1 23 60 3  o -0.2591000     0.8215000     ?             ?      
1 1 1 23 60 4  o -0.1794000     0.8399000     ?             ?      
1 1 1 23 60 5  o -0.3111000     0.9861000     ?             ?      
1 1 1 23 60 6  o 0.6367000      1.008000      ?             ?      
1 1 1 23 60 7  o -0.4580000     1.328000      ?             ?      
1 1 1 23 60 8  o -0.8579000     1.169000      ?             ?      
1 1 1 23 60 9  o 0.1703000      1.174000      ?             ?      
1 1 1 23 60 10 o 0.5687000      1.201000      ?             ?      
1 1 1 23 60 11 o -1.664000      1.445000      ?             ?      
1 1 1 23 60 12 o 3.616000       2.103000      ?             ?      
1 1 1 23 60 13 o -0.7507000     2.061000      ?             ?      
1 1 1 23 60 14 o -0.1086000     1.463000      ?             ?      
1 1 1 23 61 0  o -0.1229000     1.214000      ?             ?      
1 1 1 23 61 1  o -0.6489000     0.9906000     ?             ?      
1 1 1 23 61 2  o -0.5455000     1.164000      ?             ?      
1 1 1 23 61 3  o 0.3355000      0.8716000     ?             ?      
1 1 1 23 61 4  o -0.8010000     0.9732000     ?             ?      
1 1 1 23 61 5  o -0.2674000     1.077000      ?             ?      
1 1 1 23 61 6  o -0.1770000     1.124000      ?             ?      
1 1 1 23 61 7  o 2.904000       2.673000      ?             ?      
1 1 1 23 61 8  < 0.000000       -1.000000     ?             ?      
1 1 1 24 0  1  o 1.929000       1.760000      64.91348      90.0   
1 1 1 24 0  2  o 514.0000       14.72000      3150.660      180.0  
1 1 1 24 0  3  o 234.6000       9.634000      2504.983      -90.0  
1 1 1 24 0  4  o 506.8000       20.92000      2387.217      -0.0   
1 1 1 24 0  5  o 370.3000       15.85000      1419.883      90.0   
1 1 1 24 0  7  o 26.18000       2.229000      602.0330      90.0   
1 1 1 24 0  8  o 352.9000       11.85000      2950.937      -0.0   
1 1 1 24 0  9  o 22.59000       1.961000      39.49261      -90.0  
1 1 1 24 0  10 o 7.315000       1.491000      530.5249      0.0    
1 1 1 24 0  11 o 2.520000       1.641000      713.5327      -90.0  
1 1 1 24 0  12 o 1.262000       1.486000      228.4667      0.0    
1 1 1 24 0  13 o 3.381000       1.430000      401.6253      90.0   
1 1 1 24 0  14 o 23.64000       1.839000      1264.797      -180.0 
1 1 1 24 0  15 o 7.337000       1.518000      46.14346      90.0   
1 1 1 24 0  16 o -0.7550000     1.405000      110.4225      180.0  
1 1 1 24 0  17 o 7.294000       1.430000      119.4264      90.0   
1 1 1 24 0  18 o 2.972000       1.434000      204.9271      0.0    
1 1 1 24 0  19 o 14.69000       1.575000      734.2352      90.0   
1 1 1 24 0  20 o 30.04000       1.839000      769.2506      0.0    
1 1 1 24 0  21 o 132.4000       4.182000      1518.594      90.0   
1 1 1 24 0  22 o 128.1000       4.071000      1581.698      0.0    
1 1 1 24 0  23 o 3.251000       1.550000      63.74861      -90.0  
1 1 1 24 0  24 o 306.2000       8.832000      2463.625      0.0    
1 1 1 24 0  25 o 74.27000       2.763000      1052.997      90.0   
1 1 1 24 0  26 o 50.34000       2.190000      1290.398      -180.0 
1 1 1 24 0  27 o 20.66000       1.647000      589.3647      -90.0  
1 1 1 24 0  28 o 1.817000       1.448000      149.5803      0.0    
1 1 1 24 0  29 o 0.5283000      1.419000      68.02712      90.0   
1 1 1 24 0  30 o 3.143000       1.425000      294.4806      180.0  
1 1 1 24 0  31 o 47.35000       2.162000      891.1447      -90.0  
1 1 1 24 0  32 o -0.6898000E-01 1.425000      175.8229      0.0    
1 1 1 24 0  33 o 27.02000       1.795000      979.5913      -90.0  
1 1 1 24 0  34 o 36.23000       1.977000      786.3893      -180.0 
1 1 1 24 0  35 o 32.36000       2.197000      702.4453      -90.0  
1 1 1 24 0  36 o 4.490000       1.818000      166.9876      0.0    
1 1 1 24 0  37 o 7.583000       2.316000      255.2535      90.0   
1 1 1 24 0  38 o 74.82000       5.896000      1248.120      180.0  
1 1 1 24 0  39 o 9.133000       2.014000      544.5969      -90.0  
1 1 1 24 0  40 o 12.62000       2.097000      594.8533      0.0    
1 1 1 24 0  41 o 3.275000       1.718000      328.3504      -90.0  
1 1 1 24 0  42 o 0.7158000      1.926000      59.84761      -180.0 
1 1 1 24 0  43 o 44.71000       2.742000      969.6527      -90.0  
1 1 1 24 0  44 o 1.376000       1.814000      28.01588      180.0  
1 1 1 24 0  45 f 23.78000       2.110000      644.1977      90.0   
1 1 1 24 0  46 o 20.31000       2.087000      736.3243      0.0    
1 1 1 24 0  47 o 8.154000       1.981000      219.1133      -90.0  
1 1 1 24 0  48 o 6.498000       2.339000      316.8781      0.0    
1 1 1 24 0  49 o 5.730000       2.315000      400.0656      -90.0  
1 1 1 24 0  50 o 7.714000       2.099000      109.5976      180.0  
1 1 1 24 0  51 o 10.43000       2.456000      545.2746      90.0   
1 1 1 24 0  52 o 0.5344000      1.995000      270.4630      180.0  
1 1 1 24 0  53 o 9.370000       1.996000      ?             ?      
1 1 1 24 0  54 o 16.02000       2.407000      ?             ?      
1 1 1 24 0  55 o -4.339000      2.212000      ?             ?      
1 1 1 24 0  56 o 5.749000       2.558000      ?             ?      
1 1 1 24 0  57 o -0.8623000     2.568000      ?             ?      
1 1 1 24 0  58 o 5.158000       2.170000      ?             ?      
1 1 1 24 0  59 o 4.247000       1.827000      ?             ?      
1 1 1 24 0  60 o 1.775000       1.778000      ?             ?      
1 1 1 24 0  61 o -0.1310000     1.812000      ?             ?      
1 1 1 24 0  62 o 1.045000       1.781000      ?             ?      
1 1 1 24 0  63 o 1.554000       1.791000      ?             ?      
1 1 1 24 0  64 o 0.3116000      1.776000      ?             ?      
1 1 1 24 0  65 o 0.9748000      1.803000      ?             ?      
1 1 1 24 0  66 o 3.148000       1.866000      ?             ?      
1 1 1 24 0  67 o 3.882000       1.888000      ?             ?      
1 1 1 24 0  68 o 3.964000       1.953000      ?             ?      
1 1 1 24 0  69 o 1.285000       1.903000      ?             ?      
1 1 1 24 1  0  o 11.88000       1.786000      310.9044      0.0    
1 1 1 24 1  1  o 254.5000       7.335000      2506.001      -28.0  
1 1 1 24 1  2  o 44.16000       1.822000      776.8172      48.2   
1 1 1 24 1  3  o 57.50000       2.233000      892.6862      -172.7 
1 1 1 24 1  4  o 28.78000       2.380000      867.0967      121.1  
1 1 1 24 1  5  f 86.19000       5.962000      1059.063      -22.9  
1 1 1 24 1  6  o 258.1000       7.069000      2138.254      154.9  
1 1 1 24 1  7  o 14.55000       1.328000      388.8732      -17.8  
1 1 1 24 1  8  o 42.65000       1.947000      649.7106      -125.4 
1 1 1 24 1  9  o 130.8000       3.334000      1905.750      117.8  
1 1 1 24 1  10 o 85.37000       2.246000      1139.845      -106.1 
1 1 1 24 1  11 o 26.44000       1.202000      632.2568      163.0  
1 1 1 24 1  12 o 54.97000       1.723000      1320.101      -93.6  
1 1 1 24 1  13 o 42.61000       1.596000      566.2238      169.3  
1 1 1 24 1  14 o 20.13000       1.137000      607.0429      29.8   
1 1 1 24 1  15 o 29.31000       1.241000      1076.799      -166.2 
1 1 1 24 1  16 o 13.49000       1.100000      500.9623      126.0  
1 1 1 24 1  17 o 21.80000       1.145000      756.3443      -131.4 
1 1 1 24 1  18 o 7.288000       1.033000      140.1136      -22.1  
1 1 1 24 1  19 o 155.4000       3.674000      1354.834      -171.8 
1 1 1 24 1  20 o 107.6000       2.715000      1333.136      94.8   
1 1 1 24 1  21 o 2.755000       1.053000      487.6911      -10.6  
1 1 1 24 1  22 o 71.74000       1.910000      1181.889      -133.4 
1 1 1 24 1  23 o 134.8000       3.018000      1450.717      118.1  
1 1 1 24 1  24 o 16.54000       1.167000      546.2358      82.2   
1 1 1 24 1  25 o 16.03000       1.134000      441.6293      174.4  
1 1 1 24 1  26 o 19.00000       1.149000      524.3731      -159.0 
1 1 1 24 1  27 o 13.58000       1.179000      460.5522      -135.2 
1 1 1 24 1  28 o 58.96000       1.845000      1040.962      65.9   
1 1 1 24 1  29 o 44.37000       1.485000      905.7610      8.5    
1 1 1 24 1  30 o 1.345000       1.009000      71.95061      -84.4  
1 1 1 24 1  31 o 12.00000       1.092000      589.6649      -11.6  
1 1 1 24 1  32 o 5.560000       1.048000      279.3579      -139.6 
1 1 1 24 1  33 f 42.27000       1.486000      950.8807      107.4  
1 1 1 24 1  34 o 3.614000       1.062000      348.3801      80.4   
1 1 1 24 1  35 o 10.77000       1.201000      418.6295      -95.7  
1 1 1 24 1  36 o 8.365000       1.718000      322.3801      -49.9  
1 1 1 24 1  37 o 0.3150000      2.256000      40.65666      -115.7 
1 1 1 24 1  38 o 31.43000       2.677000      856.9348      59.1   
1 1 1 24 1  39 o 7.647000       1.465000      314.8851      82.7   
1 1 1 24 1  40 o 2.725000       1.413000      360.7884      82.9   
1 1 1 24 1  41 o 16.36000       1.322000      663.5220      118.3  
1 1 1 24 1  42 o -0.5093000     1.303000      162.1067      -64.9  
1 1 1 24 1  43 o 0.7591000      1.340000      235.2506      118.8  
1 1 1 24 1  44 o 4.714000       1.312000      171.2532      -13.7  
1 1 1 24 1  45 o 2.543000       1.412000      106.9130      -41.8  
1 1 1 24 1  46 o 8.142000       1.474000      306.5185      -73.6  
1 1 1 24 1  47 o 7.197000       1.410000      341.4813      71.4   
1 1 1 24 1  48 o 12.75000       1.617000      600.2755      -77.1  
1 1 1 24 1  49 o 5.962000       1.569000      297.5766      135.8  
1 1 1 24 1  50 o 6.766000       1.464000      322.1148      -107.7 
1 1 1 24 1  51 o 2.615000       1.537000      118.1001      -84.2  
1 1 1 24 1  52 o 2.907000       1.424000      230.4903      -82.2  
1 1 1 24 1  53 o 12.52000       1.575000      ?             ?      
1 1 1 24 1  54 o 2.002000       1.481000      ?             ?      
1 1 1 24 1  55 o 4.746000       1.826000      ?             ?      
1 1 1 24 1  56 o 10.23000       1.899000      ?             ?      
1 1 1 24 1  57 o 3.002000       1.943000      ?             ?      
1 1 1 24 1  58 o 8.895000       1.458000      ?             ?      
1 1 1 24 1  59 o 2.919000       1.302000      ?             ?      
1 1 1 24 1  60 o 1.441000       1.285000      ?             ?      
1 1 1 24 1  61 o 4.995000       1.290000      ?             ?      
1 1 1 24 1  62 o 4.932000       1.291000      ?             ?      
1 1 1 24 1  63 o 2.684000       1.249000      ?             ?      
1 1 1 24 1  64 o 0.8306000      1.257000      ?             ?      
1 1 1 24 1  65 o 1.507000       1.280000      ?             ?      
1 1 1 24 1  66 o 4.505000       1.347000      ?             ?      
1 1 1 24 1  67 o 1.668000       1.345000      ?             ?      
1 1 1 24 1  68 o -0.4909000     1.341000      ?             ?      
1 1 1 24 1  69 o -0.9244000     1.483000      ?             ?      
1 1 1 24 2  0  o 120.4000       5.940000      1241.963      -180.0 
1 1 1 24 2  1  o 0.8043000      1.451000      572.4483      -155.3 
1 1 1 24 2  2  o 2.023000       1.423000      10.15045      -43.6  
1 1 1 24 2  3  o 313.8000       9.716000      2348.500      -80.7  
1 1 1 24 2  4  o 14.74000       2.118000      799.7053      83.1   
1 1 1 24 2  5  o 74.42000       2.494000      1025.397      -89.7  
1 1 1 24 2  6  o 101.6000       3.661000      1153.257      -107.8 
1 1 1 24 2  7  o 56.71000       2.128000      817.8747      -129.8 
1 1 1 24 2  8  o 8.837000       1.169000      561.8557      52.2   
1 1 1 24 2  9  o 59.41000       2.933000      982.5084      70.4   
1 1 1 24 2  10 o 13.57000       1.243000      487.2284      -104.5 
1 1 1 24 2  11 o 15.73000       1.106000      660.1982      -64.4  
1 1 1 24 2  12 o 2.271000       1.030000      244.1702      -2.8   
1 1 1 24 2  13 o 22.22000       1.312000      698.5353      56.4   
1 1 1 24 2  14 o 44.37000       1.481000      736.6265      -156.2 
1 1 1 24 2  15 o 16.59000       1.226000      376.0669      -153.5 
1 1 1 24 2  16 o 110.5000       2.747000      1285.920      39.1   
1 1 1 24 2  17 o 18.73000       1.137000      664.3446      -29.7  
1 1 1 24 2  18 o 36.96000       1.329000      802.0766      97.4   
1 1 1 24 2  19 o 96.50000       2.441000      1200.031      106.6  
1 1 1 24 2  20 o 35.89000       1.348000      1028.557      16.5   
1 1 1 24 2  21 o 45.42000       1.495000      1001.123      40.5   
1 1 1 24 2  22 o 132.2000       2.973000      1523.325      -64.0  
1 1 1 24 2  23 o 94.08000       2.289000      1349.410      -37.7  
1 1 1 24 2  24 o 24.29000       1.198000      840.0720      2.8    
1 1 1 24 2  25 o 34.17000       1.317000      1041.941      -134.8 
1 1 1 24 2  26 o 89.30000       2.206000      1430.105      -112.6 
1 1 1 24 2  27 o 9.799000       1.061000      648.1328      -146.1 
1 1 1 24 2  28 o 17.21000       1.136000      537.6050      79.0   
1 1 1 24 2  29 o 12.09000       1.079000      396.9330      -155.6 
1 1 1 24 2  30 o 7.761000       1.042000      238.1867      -160.9 
1 1 1 24 2  31 o 26.11000       1.242000      608.2448      -99.4  
1 1 1 24 2  32 o 4.050000       1.052000      286.6419      39.3   
1 1 1 24 2  33 o 48.65000       1.593000      1002.245      -105.2 
1 1 1 24 2  34 o 14.29000       1.338000      541.7022      170.8  
1 1 1 24 2  35 o 3.933000       1.258000      252.1098      -121.7 
1 1 1 24 2  36 o 2.456000       1.724000      147.4049      144.9  
1 1 1 24 2  37 o 3.683000       2.173000      408.0000      -148.8 
1 1 1 24 2  38 o 13.86000       2.015000      648.4283      167.6  
1 1 1 24 2  39 o 15.20000       1.530000      403.9218      179.7  
1 1 1 24 2  40 o 2.314000       1.305000      127.1276      149.3  
1 1 1 24 2  41 o 36.09000       1.559000      820.8246      -95.2  
1 1 1 24 2  42 o 13.30000       1.303000      571.4537      -164.8 
1 1 1 24 2  43 o -0.9891000     1.317000      196.5156      -30.0  
1 1 1 24 2  44 o 28.82000       1.864000      716.2027      113.4  
1 1 1 24 2  45 o 0.5515000      1.401000      132.3012      67.6   
1 1 1 24 2  46 o 4.874000       1.446000      225.3862      24.1   
1 1 1 24 2  47 o 10.87000       1.743000      513.8588      -149.1 
1 1 1 24 2  48 o 22.05000       1.688000      639.5634      -22.4  
1 1 1 24 2  49 o 14.81000       1.533000      458.2022      39.3   
1 1 1 24 2  50 o 6.839000       1.466000      426.3741      175.4  
1 1 1 24 2  51 o 4.549000       1.437000      299.9755      18.1   
1 1 1 24 2  52 o 0.4565000      1.406000      186.6366      71.1   
1 1 1 24 2  53 o 4.652000       1.499000      ?             ?      
1 1 1 24 2  54 f 0.6069000      1.548000      ?             ?      
1 1 1 24 2  55 o 12.48000       2.249000      ?             ?      
1 1 1 24 2  56 o 2.387000       2.743000      ?             ?      
1 1 1 24 2  57 o 5.175000       2.023000      ?             ?      
1 1 1 24 2  58 o 1.239000       1.482000      ?             ?      
1 1 1 24 2  59 o 2.305000       1.412000      ?             ?      
1 1 1 24 2  60 o 4.347000       1.308000      ?             ?      
1 1 1 24 2  61 o 1.362000       1.291000      ?             ?      
1 1 1 24 2  62 o 3.016000       1.292000      ?             ?      
1 1 1 24 2  63 o 0.3296000      1.256000      ?             ?      
1 1 1 24 2  64 o -2.324000      1.257000      ?             ?      
1 1 1 24 2  65 o -0.4022000     1.256000      ?             ?      
1 1 1 24 2  66 o 1.904000       1.310000      ?             ?      
1 1 1 24 2  67 o 5.839000       1.369000      ?             ?      
1 1 1 24 2  68 o 2.316000       1.345000      ?             ?      
1 1 1 24 2  69 o -0.1964000     1.921000      ?             ?      
1 1 1 24 3  0  o 32.66000       2.697000      1028.188      -180.0 
1 1 1 24 3  1  o 84.25000       2.643000      1575.711      -42.4  
1 1 1 24 3  2  o 215.0000       6.603000      1810.183      32.7   
1 1 1 24 3  3  o 100.0000       4.126000      1502.392      -133.0 
1 1 1 24 3  4  o 107.3000       3.426000      1665.463      -49.3  
1 1 1 24 3  5  o 68.41000       2.502000      1258.841      -103.8 
1 1 1 24 3  6  o 33.76000       1.932000      686.5153      -164.1 
1 1 1 24 3  7  o 38.12000       1.910000      855.5172      162.0  
1 1 1 24 3  8  o 12.44000       1.166000      604.3864      115.2  
1 1 1 24 3  9  o 5.074000       1.124000      241.6030      -151.5 
1 1 1 24 3  10 o 19.09000       1.255000      801.9570      -132.7 
1 1 1 24 3  11 o 50.39000       1.642000      1126.196      74.7   
1 1 1 24 3  12 o 0.4920000      1.034000      390.0293      134.3  
1 1 1 24 3  13 o 43.34000       1.653000      1115.364      -41.0  
1 1 1 24 3  14 o 25.51000       1.221000      898.4122      138.7  
1 1 1 24 3  15 o 9.745000       1.069000      593.9636      -87.6  
1 1 1 24 3  16 o 51.97000       1.605000      1056.984      -66.2  
1 1 1 24 3  17 o 53.58000       1.654000      1261.501      165.9  
1 1 1 24 3  18 o 4.762000       1.047000      318.8421      -84.5  
1 1 1 24 3  19 o 71.49000       1.892000      1142.060      179.7  
1 1 1 24 3  20 o 8.498000       1.066000      436.7061      94.2   
1 1 1 24 3  21 o 15.33000       1.126000      681.6959      24.8   
1 1 1 24 3  22 o 20.93000       1.190000      898.7219      11.0   
1 1 1 24 3  23 o 37.95000       1.384000      1146.603      59.9   
1 1 1 24 3  24 o 37.08000       1.360000      707.8590      94.9   
1 1 1 24 3  25 o 19.15000       1.148000      711.5681      -126.8 
1 1 1 24 3  26 o 10.58000       1.085000      729.0270      -37.4  
1 1 1 24 3  27 o 20.83000       1.184000      657.5327      26.3   
1 1 1 24 3  28 o 22.07000       1.189000      515.6464      64.4   
1 1 1 24 3  29 o 2.337000       1.032000      426.8239      64.1   
1 1 1 24 3  30 o 7.697000       1.057000      211.7008      -108.5 
1 1 1 24 3  31 o 7.963000       1.066000      383.7155      51.2   
1 1 1 24 3  32 o 8.781000       1.184000      380.5022      2.9    
1 1 1 24 3  33 o 8.930000       1.219000      343.4986      87.6   
1 1 1 24 3  34 o 10.03000       1.190000      547.4609      -89.9  
1 1 1 24 3  35 o 27.34000       1.803000      682.0970      -69.9  
1 1 1 24 3  36 o 2.314000       1.735000      483.5572      -64.1  
1 1 1 24 3  37 o 11.37000       1.408000      378.9397      60.1   
1 1 1 24 3  38 o 6.727000       1.583000      250.0285      15.4   
1 1 1 24 3  39 o 6.010000       1.487000      302.8691      91.0   
1 1 1 24 3  40 o 8.837000       1.441000      461.7124      -81.1  
1 1 1 24 3  41 o 4.722000       1.430000      223.4999      -128.5 
1 1 1 24 3  42 o 13.46000       1.417000      455.1984      -21.1  
1 1 1 24 3  43 o 7.451000       1.366000      301.2139      178.2  
1 1 1 24 3  44 o 2.261000       1.375000      230.9612      -5.7   
1 1 1 24 3  45 o 5.742000       1.315000      343.3316      -66.9  
1 1 1 24 3  46 o 4.218000       1.340000      252.3378      -119.6 
1 1 1 24 3  47 o 14.08000       1.544000      646.6559      87.4   
1 1 1 24 3  48 o -1.646000      1.423000      171.7478      -40.8  
1 1 1 24 3  49 o 1.746000       1.536000      233.5830      47.1   
1 1 1 24 3  50 o 0.1306000E-02  1.533000      135.6855      17.1   
1 1 1 24 3  51 o 9.572000       1.470000      435.5302      -46.9  
1 1 1 24 3  52 o 3.269000       1.399000      120.5335      176.7  
1 1 1 24 3  53 o 0.1365000      1.470000      ?             ?      
1 1 1 24 3  54 o 1.473000       1.525000      ?             ?      
1 1 1 24 3  55 o -0.6616000     1.556000      ?             ?      
1 1 1 24 3  56 o -0.4382000     1.710000      ?             ?      
1 1 1 24 3  57 o 5.336000       1.619000      ?             ?      
1 1 1 24 3  58 o 8.223000       1.933000      ?             ?      
1 1 1 24 3  59 o 2.120000       1.406000      ?             ?      
1 1 1 24 3  60 o 2.716000       1.285000      ?             ?      
1 1 1 24 3  61 o 1.135000       1.271000      ?             ?      
1 1 1 24 3  62 o 8.315000       1.316000      ?             ?      
1 1 1 24 3  63 o -0.7667000     1.267000      ?             ?      
1 1 1 24 3  64 o 1.970000       1.274000      ?             ?      
1 1 1 24 3  65 o -0.6906000     1.268000      ?             ?      
1 1 1 24 3  66 o 0.3366000      1.286000      ?             ?      
1 1 1 24 3  67 o 3.244000       1.314000      ?             ?      
1 1 1 24 3  68 o 0.9269000      1.332000      ?             ?      
1 1 1 24 3  69 o 1.070000       1.486000      ?             ?      
1 1 1 24 4  0  o 34.52000       2.641000      516.6749      180.0  
1 1 1 24 4  1  o 81.52000       3.014000      1146.205      38.7   
1 1 1 24 4  2  o 0.8201000E-01  1.367000      336.2543      -114.7 
1 1 1 24 4  3  o 36.64000       2.758000      802.0396      -58.5  
1 1 1 24 4  4  o 37.22000       2.780000      644.2570      16.9   
1 1 1 24 4  5  o 65.71000       2.455000      1288.338      2.3    
1 1 1 24 4  6  o 129.2000       3.331000      1873.246      -109.9 
1 1 1 24 4  7  o 20.38000       1.265000      619.5413      -146.4 
1 1 1 24 4  8  o 26.34000       2.083000      948.1836      119.1  
1 1 1 24 4  9  o 72.16000       2.751000      1311.254      40.8   
1 1 1 24 4  10 o 20.51000       1.295000      655.7105      -111.8 
1 1 1 24 4  11 o 14.30000       1.228000      644.4257      -117.7 
1 1 1 24 4  12 o 1.596000       1.054000      265.3913      54.3   
1 1 1 24 4  13 o 79.56000       2.208000      1333.793      97.3   
1 1 1 24 4  14 o 72.98000       2.115000      1349.510      74.6   
1 1 1 24 4  15 o 8.031000       1.044000      447.8603      -106.5 
1 1 1 24 4  16 f 55.75000       1.687000      1029.877      50.4   
1 1 1 24 4  17 o 27.40000       1.304000      726.9528      23.9   
1 1 1 24 4  18 o 1.267000       1.021000      416.4539      45.6   
1 1 1 24 4  19 o 11.23000       1.068000      443.9949      55.8   
1 1 1 24 4  20 o 23.21000       1.307000      722.9846      84.4   
1 1 1 24 4  21 o 6.895000       1.050000      594.6456      19.0   
1 1 1 24 4  22 o 34.40000       1.354000      841.0687      -125.3 
1 1 1 24 4  23 o 9.839000       1.067000      288.5931      89.4   
1 1 1 24 4  24 o 9.500000       1.052000      473.7832      -26.3  
1 1 1 24 4  25 o 40.19000       1.407000      827.2794      -141.8 
1 1 1 24 4  26 o 5.724000       1.038000      562.2852      -118.5 
1 1 1 24 4  27 o 11.74000       1.078000      519.7748      130.5  
1 1 1 24 4  28 o 4.547000       1.041000      375.3241      157.5  
1 1 1 24 4  29 o 34.59000       1.370000      733.5798      -123.8 
1 1 1 24 4  30 o 5.825000       1.153000      229.1133      152.5  
1 1 1 24 4  31 o 2.618000       1.036000      228.8072      122.0  
1 1 1 24 4  32 o 0.2000000      1.096000      160.6270      151.8  
1 1 1 24 4  33 o 11.53000       1.206000      573.5118      -103.6 
1 1 1 24 4  34 f 2.211000       1.146000      332.3105      84.1   
1 1 1 24 4  35 o 27.69000       1.653000      711.0252      -134.7 
1 1 1 24 4  36 o 1.640000       1.363000      260.6484      76.0   
1 1 1 24 4  37 o -0.5874000     1.279000      322.1364      131.1  
1 1 1 24 4  38 o 8.244000       1.358000      414.1934      154.3  
1 1 1 24 4  39 o 9.464000       1.517000      450.3557      -96.2  
1 1 1 24 4  40 o 1.750000       1.402000      291.0542      -95.7  
1 1 1 24 4  41 o 7.291000       1.555000      505.3584      -52.9  
1 1 1 24 4  42 o 13.92000       1.439000      650.8109      153.6  
1 1 1 24 4  43 o 2.248000       1.250000      232.7400      -100.0 
1 1 1 24 4  44 o 2.373000       1.279000      122.7434      -39.5  
1 1 1 24 4  45 o 4.259000       1.328000      204.2053      106.6  
1 1 1 24 4  46 o 1.262000       1.312000      258.3875      131.2  
1 1 1 24 4  47 o -0.8215000     1.331000      160.0158      123.9  
1 1 1 24 4  48 o 3.735000       1.398000      266.4934      139.2  
1 1 1 24 4  49 o -3.515000      1.483000      157.0020      -157.5 
1 1 1 24 4  50 o 6.360000       1.542000      254.5258      -73.1  
1 1 1 24 4  51 o 1.451000       1.408000      223.1307      38.6   
1 1 1 24 4  52 o 1.557000       1.468000      87.39746      114.8  
1 1 1 24 4  53 o 4.949000       1.490000      ?             ?      
1 1 1 24 4  54 o -1.532000      1.524000      ?             ?      
1 1 1 24 4  55 o 4.257000       1.635000      ?             ?      
1 1 1 24 4  56 o 0.7557000      1.520000      ?             ?      
1 1 1 24 4  57 o 1.379000       1.517000      ?             ?      
1 1 1 24 4  58 o 4.050000       1.592000      ?             ?      
1 1 1 24 4  59 o -0.2870000     1.435000      ?             ?      
1 1 1 24 4  60 o -1.671000      1.463000      ?             ?      
1 1 1 24 4  61 o 1.164000       1.396000      ?             ?      
1 1 1 24 4  62 o 1.305000       1.252000      ?             ?      
1 1 1 24 4  63 o -0.2138000E-01 1.260000      ?             ?      
1 1 1 24 4  64 o 1.005000       1.260000      ?             ?      
1 1 1 24 4  65 o 1.355000       1.260000      ?             ?      
1 1 1 24 4  66 o 2.160000       1.281000      ?             ?      
1 1 1 24 4  67 o 1.143000       1.306000      ?             ?      
1 1 1 24 4  68 o 2.469000       1.440000      ?             ?      
1 1 1 24 4  69 o 2.161000       1.654000      ?             ?      
1 1 1 24 5  0  o 14.99000       4.296000      823.2177      180.0  
1 1 1 24 5  1  o 3.131000       1.386000      207.2953      -48.0  
1 1 1 24 5  2  o 12.59000       2.382000      393.6957      122.0  
1 1 1 24 5  3  o 92.23000       2.992000      1456.039      -138.2 
1 1 1 24 5  4  o 1.453000       1.506000      125.9339      -146.4 
1 1 1 24 5  5  o 11.70000       2.023000      524.2267      -79.2  
1 1 1 24 5  6  o 69.92000       2.215000      1169.101      126.6  
1 1 1 24 5  7  o 3.545000       1.123000      420.8484      146.2  
1 1 1 24 5  8  o 5.270000       1.203000      614.1246      -27.8  
1 1 1 24 5  9  o 10.24000       1.197000      523.3987      -95.9  
1 1 1 24 5  10 o 24.08000       1.365000      629.4281      85.4   
1 1 1 24 5  11 o 0.9805000      1.160000      335.3541      137.5  
1 1 1 24 5  12 o 6.089000       1.204000      282.6945      -136.8 
1 1 1 24 5  13 o 8.769000       1.273000      349.8879      -78.8  
1 1 1 24 5  14 o 19.24000       1.187000      639.6249      -169.2 
1 1 1 24 5  15 o 1.073000       1.015000      306.7190      -61.5  
1 1 1 24 5  16 o 23.90000       1.261000      725.0286      51.5   
1 1 1 24 5  17 o 17.11000       1.146000      694.1025      124.2  
1 1 1 24 5  18 o 15.68000       1.109000      634.4389      -135.8 
1 1 1 24 5  19 o 65.28000       1.766000      1322.301      161.3  
1 1 1 24 5  20 o 5.364000       1.026000      365.1490      150.0  
1 1 1 24 5  21 o 2.401000       1.014000      275.3699      49.4   
1 1 1 24 5  22 o 8.062000       1.041000      581.4958      43.3   
1 1 1 24 5  23 o 5.448000       1.031000      453.6887      142.6  
1 1 1 24 5  24 o 13.62000       1.085000      568.1855      128.1  
1 1 1 24 5  25 o 2.472000       1.024000      198.5354      -88.5  
1 1 1 24 5  26 o 1.264000       1.018000      356.2678      -24.9  
1 1 1 24 5  27 o 6.112000       1.171000      390.6184      49.9   
1 1 1 24 5  28 o 15.34000       1.468000      734.2477      130.8  
1 1 1 24 5  29 o 8.033000       1.089000      422.4077      -28.1  
1 1 1 24 5  30 o 0.1210000      1.093000      61.58714      40.2   
1 1 1 24 5  31 o 3.372000       1.118000      321.2808      68.8   
1 1 1 24 5  32 o 1.848000       1.032000      186.6074      -92.4  
1 1 1 24 5  33 o 2.679000       1.112000      102.7338      88.8   
1 1 1 24 5  34 o 7.919000       1.440000      408.6750      -77.5  
1 1 1 24 5  35 o 3.694000       1.327000      414.2265      -71.9  
1 1 1 24 5  36 o 2.954000       1.427000      255.7280      -97.4  
1 1 1 24 5  37 o 1.554000       1.429000      243.6370      -160.2 
1 1 1 24 5  38 o 1.134000       1.226000      165.3076      -38.4  
1 1 1 24 5  39 o 3.096000       1.368000      173.1187      35.1   
1 1 1 24 5  40 o 18.94000       1.699000      664.6001      -81.0  
1 1 1 24 5  41 o 10.81000       1.498000      474.4156      -32.7  
1 1 1 24 5  42 o 4.947000       1.360000      243.0809      67.7   
1 1 1 24 5  43 o 2.791000       1.272000      356.5635      -149.5 
1 1 1 24 5  44 o 3.094000       1.304000      298.1280      -8.5   
1 1 1 24 5  45 o 18.40000       1.445000      530.5629      -64.2  
1 1 1 24 5  46 o 8.943000       1.374000      429.4414      -143.4 
1 1 1 24 5  47 o -0.4834000     1.331000      45.71918      170.2  
1 1 1 24 5  48 o -1.957000      1.343000      179.9700      -38.4  
1 1 1 24 5  49 o 6.846000       1.411000      394.8810      -24.4  
1 1 1 24 5  50 o 3.269000       1.417000      232.1966      2.9    
1 1 1 24 5  51 o 1.377000       1.484000      122.0050      19.0   
1 1 1 24 5  52 o 4.057000       1.662000      275.9652      120.5  
1 1 1 24 5  53 o 0.9023000      1.473000      ?             ?      
1 1 1 24 5  54 o 0.3243000      1.507000      ?             ?      
1 1 1 24 5  55 o 7.678000       1.528000      ?             ?      
1 1 1 24 5  56 o 0.4748000      1.435000      ?             ?      
1 1 1 24 5  57 o -0.7262000E-01 1.411000      ?             ?      
1 1 1 24 5  58 o 3.559000       1.534000      ?             ?      
1 1 1 24 5  59 o -0.7986000     1.349000      ?             ?      
1 1 1 24 5  60 o 0.1992000      1.461000      ?             ?      
1 1 1 24 5  61 o 2.380000       1.320000      ?             ?      
1 1 1 24 5  62 o 1.936000       1.385000      ?             ?      
1 1 1 24 5  63 o -1.186000      1.377000      ?             ?      
1 1 1 24 5  64 o 0.3719000      1.266000      ?             ?      
1 1 1 24 5  65 o -0.9076000     1.274000      ?             ?      
1 1 1 24 5  66 o -0.2459000E-01 1.277000      ?             ?      
1 1 1 24 5  67 o 1.198000       1.295000      ?             ?      
1 1 1 24 5  68 o -1.520000      1.431000      ?             ?      
1 1 1 24 5  69 o -2.067000      1.506000      ?             ?      
1 1 1 24 6  0  o 8.644000       2.114000      511.1277      180.0  
1 1 1 24 6  1  o 19.87000       2.398000      915.1287      -154.4 
1 1 1 24 6  2  o 48.05000       2.242000      1237.858      -51.7  
1 1 1 24 6  3  o 29.55000       2.759000      827.5554      35.5   
1 1 1 24 6  4  o 16.06000       1.457000      834.3829      -154.4 
1 1 1 24 6  5  o 8.300000       1.410000      372.9590      122.8  
1 1 1 24 6  6  o 2.412000       1.215000      322.9917      149.2  
1 1 1 24 6  7  o 33.74000       1.515000      1116.817      114.4  
1 1 1 24 6  8  o 5.940000       1.209000      355.6566      68.8   
1 1 1 24 6  9  o 34.92000       1.744000      812.7700      56.4   
1 1 1 24 6  10 o 16.65000       1.440000      572.4803      161.6  
1 1 1 24 6  11 o 3.320000       1.202000      227.0297      -78.0  
1 1 1 24 6  12 o 18.78000       1.351000      787.3110      80.4   
1 1 1 24 6  13 o 75.32000       2.242000      1633.391      80.8   
1 1 1 24 6  14 o 2.099000       1.065000      351.5977      -46.0  
1 1 1 24 6  15 o 6.555000       1.061000      358.1868      176.2  
1 1 1 24 6  16 o 3.183000       1.037000      369.8500      86.8   
1 1 1 24 6  17 o 11.10000       1.079000      611.2515      -35.0  
1 1 1 24 6  18 o 2.978000       1.035000      342.2585      -64.4  
1 1 1 24 6  19 o 0.5603000      1.020000      57.12224      74.1   
1 1 1 24 6  20 o 3.601000       1.012000      257.4225      -124.4 
1 1 1 24 6  21 o 3.587000       1.091000      313.6326      92.4   
1 1 1 24 6  22 o 4.300000       1.008000      310.2634      142.7  
1 1 1 24 6  23 o 3.610000       1.023000      295.2278      -24.2  
1 1 1 24 6  24 o 30.05000       1.422000      839.6508      -76.4  
1 1 1 24 6  25 o 36.14000       1.500000      967.3039      -163.3 
1 1 1 24 6  26 o 6.233000       1.059000      260.7874      -151.3 
1 1 1 24 6  27 o 1.692000       1.043000      207.1951      27.1   
1 1 1 24 6  28 o 16.17000       1.265000      623.9720      -161.4 
1 1 1 24 6  29 o 8.023000       1.216000      377.5066      -158.4 
1 1 1 24 6  30 o 15.81000       1.134000      516.9760      95.4   
1 1 1 24 6  31 o 0.7282000      1.001000      45.08776      148.2  
1 1 1 24 6  32 o 9.040000       1.060000      366.5638      177.6  
1 1 1 24 6  33 o 1.044000       1.109000      198.7077      -115.7 
1 1 1 24 6  34 o 2.660000       1.425000      189.0334      -96.4  
1 1 1 24 6  35 o 7.189000       1.405000      384.7832      -146.2 
1 1 1 24 6  36 o 7.444000       1.306000      421.2385      39.8   
1 1 1 24 6  37 o 1.356000       1.193000      254.8164      -171.2 
1 1 1 24 6  38 o -0.2731000E-01 1.194000      198.6961      -0.2   
1 1 1 24 6  39 o 1.253000       1.314000      85.53543      -34.2  
1 1 1 24 6  40 f 6.782000       1.544000      303.7954      171.9  
1 1 1 24 6  41 o -1.093000      1.404000      190.7722      -38.3  
1 1 1 24 6  42 o 4.956000       1.365000      295.1205      -160.8 
1 1 1 24 6  43 o 0.7120000      1.258000      161.2075      30.0   
1 1 1 24 6  44 o 6.639000       1.325000      368.4138      58.7   
1 1 1 24 6  45 o -0.5994000     1.298000      58.98220      -23.1  
1 1 1 24 6  46 o 6.170000       1.343000      344.1429      32.5   
1 1 1 24 6  47 o 0.3679000      1.342000      105.1168      44.1   
1 1 1 24 6  48 o -0.2506000     1.352000      102.9914      43.8   
1 1 1 24 6  49 o 1.218000       1.392000      113.2901      -161.5 
1 1 1 24 6  50 o 4.673000       1.424000      334.7327      143.2  
1 1 1 24 6  51 o 1.341000       1.386000      174.2607      125.7  
1 1 1 24 6  52 o 1.311000       1.472000      240.8743      -59.5  
1 1 1 24 6  53 o 1.411000       1.651000      ?             ?      
1 1 1 24 6  54 o -0.8508000     1.580000      ?             ?      
1 1 1 24 6  55 o -0.5831000     1.368000      ?             ?      
1 1 1 24 6  56 o -0.5316000     1.339000      ?             ?      
1 1 1 24 6  57 o 6.381000       1.634000      ?             ?      
1 1 1 24 6  58 o -0.4885000     1.355000      ?             ?      
1 1 1 24 6  59 o -0.9558000     1.502000      ?             ?      
1 1 1 24 6  60 o -0.8115000     1.350000      ?             ?      
1 1 1 24 6  61 o -1.215000      1.345000      ?             ?      
1 1 1 24 6  62 o 1.370000       1.324000      ?             ?      
1 1 1 24 6  63 o 2.347000       1.336000      ?             ?      
1 1 1 24 6  64 o 0.4283000      1.375000      ?             ?      
1 1 1 24 6  65 o -0.6297000     1.391000      ?             ?      
1 1 1 24 6  66 o 0.8831000      1.279000      ?             ?      
1 1 1 24 6  67 o -3.367000      1.799000      ?             ?      
1 1 1 24 6  68 o 0.7400000      1.630000      ?             ?      
1 1 1 24 6  69 o 1.677000       1.551000      ?             ?      
1 1 1 24 7  0  o 2.768000       1.835000      135.4379      180.0  
1 1 1 24 7  1  o -0.4971000     1.377000      363.1166      -22.6  
1 1 1 24 7  2  o 1.169000       1.452000      443.1663      -122.3 
1 1 1 24 7  3  o 5.479000       1.381000      503.5175      157.6  
1 1 1 24 7  4  o 3.938000       1.355000      425.8379      -163.3 
1 1 1 24 7  5  o 10.66000       1.374000      776.7106      -154.0 
1 1 1 24 7  6  o 19.99000       1.366000      868.5677      156.7  
1 1 1 24 7  7  o 11.05000       1.297000      573.0549      -177.0 
1 1 1 24 7  8  o 11.70000       1.286000      550.2626      -161.6 
1 1 1 24 7  9  o 4.599000       1.192000      368.7895      -5.7   
1 1 1 24 7  10 o 2.323000       1.187000      303.5378      122.1  
1 1 1 24 7  11 o 32.37000       1.523000      891.9197      -154.5 
1 1 1 24 7  12 o 2.773000       1.209000      164.2126      161.2  
1 1 1 24 7  13 o 3.403000       1.240000      191.1235      -153.8 
1 1 1 24 7  14 o 17.24000       1.280000      673.9675      -175.3 
1 1 1 24 7  15 o -0.7507000E-01 1.039000      120.6260      103.5  
1 1 1 24 7  16 o 19.75000       1.170000      797.1350      48.7   
1 1 1 24 7  17 o 10.56000       1.090000      484.6932      -163.5 
1 1 1 24 7  18 o 0.7204000      1.034000      185.5425      137.7  
1 1 1 24 7  19 o 12.41000       1.100000      758.6088      113.5  
1 1 1 24 7  20 o 1.804000       1.002000      143.6276      -179.4 
1 1 1 24 7  21 o 1.466000       0.9999000     322.9145      90.2   
1 1 1 24 7  22 o 2.560000       1.133000      293.7053      -128.3 
1 1 1 24 7  23 o 2.496000       1.119000      172.2194      136.3  
1 1 1 24 7  24 o 0.2799000      1.024000      301.2433      138.8  
1 1 1 24 7  25 o 7.035000       1.149000      338.1858      18.9   
1 1 1 24 7  26 o 4.619000       1.119000      330.4025      -156.8 
1 1 1 24 7  27 o 0.4492000      1.016000      56.75053      52.1   
1 1 1 24 7  28 o 9.524000       1.087000      484.8713      131.9  
1 1 1 24 7  29 o 16.56000       1.169000      629.4460      -51.4  
1 1 1 24 7  30 o -0.4138000     1.032000      232.6401      152.7  
1 1 1 24 7  31 o 7.698000       1.135000      365.8552      117.8  
1 1 1 24 7  32 o 0.4078000      1.187000      77.24106      48.8   
1 1 1 24 7  33 o 6.312000       1.209000      512.8106      -22.3  
1 1 1 24 7  34 o 0.6010000E-01  1.633000      100.9404      -15.1  
1 1 1 24 7  35 o 2.151000       1.379000      50.44268      141.5  
1 1 1 24 7  36 o 6.059000       1.219000      455.5891      -168.4 
1 1 1 24 7  37 o 3.878000       1.118000      205.9617      160.9  
1 1 1 24 7  38 o 0.8746000      1.204000      151.2006      79.4   
1 1 1 24 7  39 o 0.6886000      1.316000      154.9371      38.6   
1 1 1 24 7  40 o 5.895000       1.521000      424.3515      -67.5  
1 1 1 24 7  41 o 1.630000       1.326000      97.89587      30.8   
1 1 1 24 7  42 o 3.196000       1.481000      292.2451      141.4  
1 1 1 24 7  43 o 1.399000       1.363000      95.65534      -89.1  
1 1 1 24 7  44 o 2.978000       1.281000      209.3424      166.5  
1 1 1 24 7  45 o 0.3186000      1.297000      44.66748      6.9    
1 1 1 24 7  46 o -0.5066000     1.318000      175.0023      152.5  
1 1 1 24 7  47 o 10.92000       1.410000      447.7045      161.6  
1 1 1 24 7  48 o 0.1387000      1.364000      140.5721      -69.6  
1 1 1 24 7  49 o 1.278000       1.398000      284.0319      -21.0  
1 1 1 24 7  50 o 1.924000       1.391000      79.76056      -53.9  
1 1 1 24 7  51 o -1.249000      1.379000      109.4502      91.1   
1 1 1 24 7  52 o 0.7372000E-02  1.458000      ?             ?      
1 1 1 24 7  53 o 0.6940000      1.499000      ?             ?      
1 1 1 24 7  54 o 2.925000       1.399000      ?             ?      
1 1 1 24 7  55 o 0.8468000      1.269000      ?             ?      
1 1 1 24 7  56 o 0.1097000      1.364000      ?             ?      
1 1 1 24 7  57 o -1.658000      1.477000      ?             ?      
1 1 1 24 7  58 o 1.067000       1.521000      ?             ?      
1 1 1 24 7  59 o 3.711000       1.583000      ?             ?      
1 1 1 24 7  60 o -2.709000      1.420000      ?             ?      
1 1 1 24 7  61 o 1.637000       1.344000      ?             ?      
1 1 1 24 7  62 o 1.144000       1.247000      ?             ?      
1 1 1 24 7  63 o 1.603000       1.260000      ?             ?      
1 1 1 24 7  64 o -2.099000      1.328000      ?             ?      
1 1 1 24 7  65 o -0.6916000     1.340000      ?             ?      
1 1 1 24 7  66 o 0.8923000      1.278000      ?             ?      
1 1 1 24 7  67 o -0.4951000     1.415000      ?             ?      
1 1 1 24 7  68 o 0.3443000E-01  1.509000      ?             ?      
1 1 1 24 7  69 o 1.764000       2.075000      ?             ?      
1 1 1 24 8  0  o -1.374000      1.890000      217.4032      -180.0 
1 1 1 24 8  1  o 6.019000       1.376000      375.4691      -146.9 
1 1 1 24 8  2  o 0.7524000      1.291000      283.6240      44.0   
1 1 1 24 8  3  o 1.502000       1.313000      291.8564      85.7   
1 1 1 24 8  4  o 13.11000       1.431000      606.9601      -138.7 
1 1 1 24 8  5  o 0.9073000      1.306000      47.02512      123.5  
1 1 1 24 8  6  o -1.219000      1.242000      57.00502      150.8  
1 1 1 24 8  7  o 4.710000       1.292000      286.6017      -118.9 
1 1 1 24 8  8  o 1.382000       1.218000      65.31278      65.1   
1 1 1 24 8  9  o 3.565000       1.258000      592.3796      130.9  
1 1 1 24 8  10 o 4.746000       1.216000      303.4626      176.2  
1 1 1 24 8  11 o 0.5702000      1.236000      92.79321      -95.9  
1 1 1 24 8  12 o 1.039000       1.214000      108.6857      49.5   
1 1 1 24 8  13 o 0.3981000      1.221000      110.2639      32.0   
1 1 1 24 8  14 o 5.305000       1.191000      242.8055      -92.1  
1 1 1 24 8  15 o 0.9873000E-03  1.065000      150.6063      65.6   
1 1 1 24 8  16 o 1.637000       1.048000      450.8146      -51.6  
1 1 1 24 8  17 o 1.135000       1.041000      73.59299      102.0  
1 1 1 24 8  18 o 5.553000       1.062000      480.3207      -82.8  
1 1 1 24 8  19 f 2.806000       1.187000      124.3215      -51.3  
1 1 1 24 8  20 o 4.040000       1.162000      398.2527      -154.2 
1 1 1 24 8  21 o 0.3399000      1.037000      314.5653      -2.9   
1 1 1 24 8  22 o -2.346000      1.088000      131.7758      81.2   
1 1 1 24 8  23 o 6.203000       1.090000      303.6705      -79.2  
1 1 1 24 8  24 o 8.314000       1.046000      431.5592      -165.3 
1 1 1 24 8  25 o 6.057000       1.045000      337.5539      131.4  
1 1 1 24 8  26 o -0.9331000     1.027000      82.32938      22.3   
1 1 1 24 8  27 o 3.416000       1.038000      310.8280      -44.9  
1 1 1 24 8  28 o 5.696000       1.047000      420.5714      -174.3 
1 1 1 24 8  29 o 2.384000       1.100000      33.16280      178.1  
1 1 1 24 8  30 o 1.355000       1.038000      309.5032      25.4   
1 1 1 24 8  31 o 1.033000       1.100000      121.6560      164.4  
1 1 1 24 8  32 o -0.8360000     1.148000      274.8756      121.5  
1 1 1 24 8  33 o 0.4930000      1.248000      79.15206      127.5  
1 1 1 24 8  34 o 1.688000       1.284000      255.7334      -92.9  
1 1 1 24 8  35 o 0.5883000      1.146000      98.34156      -8.7   
1 1 1 24 8  36 o 2.460000       1.096000      228.7940      166.9  
1 1 1 24 8  37 o 2.285000       1.105000      205.0383      -120.2 
1 1 1 24 8  38 o 0.3245000      1.189000      49.41261      111.9  
1 1 1 24 8  39 o -2.213000      1.217000      138.2352      142.3  
1 1 1 24 8  40 o 3.245000       1.293000      347.4089      154.3  
1 1 1 24 8  41 o 4.221000       1.530000      312.3767      18.1   
1 1 1 24 8  42 o 4.191000       1.440000      214.2924      151.1  
1 1 1 24 8  43 o 1.450000       1.355000      73.29235      76.0   
1 1 1 24 8  44 o -1.334000      1.272000      30.20399      -150.2 
1 1 1 24 8  45 o 3.078000       1.319000      297.2709      -60.8  
1 1 1 24 8  46 o 2.439000       1.320000      88.75605      108.0  
1 1 1 24 8  47 o 2.413000       1.346000      52.28735      43.5   
1 1 1 24 8  48 o -0.5163000     1.354000      114.4371      -132.9 
1 1 1 24 8  49 o 2.171000       1.381000      172.7400      -139.8 
1 1 1 24 8  50 o 0.3505000E-01  1.372000      88.50068      103.2  
1 1 1 24 8  51 o 1.197000       1.738000      85.69249      -20.4  
1 1 1 24 8  52 o 0.3979000      1.625000      ?             ?      
1 1 1 24 8  53 o 2.507000       1.574000      ?             ?      
1 1 1 24 8  54 o 0.7401000      1.390000      ?             ?      
1 1 1 24 8  55 o -0.8887000     1.256000      ?             ?      
1 1 1 24 8  56 o -0.6857000     1.252000      ?             ?      
1 1 1 24 8  57 o 1.426000       1.266000      ?             ?      
1 1 1 24 8  58 o -1.840000      1.490000      ?             ?      
1 1 1 24 8  59 o -0.1691000     1.512000      ?             ?      
1 1 1 24 8  60 o -0.2573000     1.331000      ?             ?      
1 1 1 24 8  61 o 0.2818000E-01  1.461000      ?             ?      
1 1 1 24 8  62 o 1.319000       1.282000      ?             ?      
1 1 1 24 8  63 o -0.6014000     1.245000      ?             ?      
1 1 1 24 8  64 o 2.238000       1.268000      ?             ?      
1 1 1 24 8  65 o -0.4945000E-01 1.266000      ?             ?      
1 1 1 24 8  66 o 1.893000       1.299000      ?             ?      
1 1 1 24 8  67 o 0.7318000      1.585000      ?             ?      
1 1 1 24 8  68 o 3.798000       1.526000      ?             ?      
1 1 1 24 8  69 o 0.4389000      1.668000      ?             ?      
1 1 1 24 9  0  o 14.04000       2.200000      657.4435      -0.0   
1 1 1 24 9  1  o -2.910000      1.291000      137.0575      -153.3 
1 1 1 24 9  2  o 0.1673000      1.279000      206.1672      -156.0 
1 1 1 24 9  3  o 0.1574000      1.301000      295.9956      -126.0 
1 1 1 24 9  4  o 4.398000       1.365000      187.5089      12.0   
1 1 1 24 9  5  o 3.787000       1.268000      254.5289      -171.0 
1 1 1 24 9  6  o -0.1141000     1.246000      32.51992      -55.2  
1 1 1 24 9  7  o -0.3790000     1.255000      35.50324      -158.2 
1 1 1 24 9  8  o 4.278000       1.280000      223.8723      171.0  
1 1 1 24 9  9  o 1.744000       1.240000      113.8135      -151.9 
1 1 1 24 9  10 o 1.557000       1.337000      98.15259      -115.4 
1 1 1 24 9  11 o 3.282000       1.215000      133.5197      109.7  
1 1 1 24 9  12 o 4.206000       1.241000      148.9936      -168.8 
1 1 1 24 9  13 o 3.367000       1.209000      261.8448      61.9   
1 1 1 24 9  14 o 3.114000       1.201000      118.3422      163.0  
1 1 1 24 9  15 o 0.8892000E-01  1.214000      57.83063      -60.5  
1 1 1 24 9  16 o 2.278000       1.072000      109.8664      -166.3 
1 1 1 24 9  17 o 0.7477000      1.204000      85.64005      -50.9  
1 1 1 24 9  18 o 4.134000       1.228000      229.2470      66.2   
1 1 1 24 9  19 o -0.4405000     1.049000      90.85529      -96.8  
1 1 1 24 9  20 o 1.918000       1.108000      183.7356      113.6  
1 1 1 24 9  21 o -2.670000      1.071000      88.72266      96.7   
1 1 1 24 9  22 o 3.422000       1.009000      211.1180      -36.1  
1 1 1 24 9  23 o 1.338000       1.006000      120.9539      -162.6 
1 1 1 24 9  24 o -0.1776000E-01 1.005000      178.1843      134.7  
1 1 1 24 9  25 o -0.1790000E-01 1.008000      56.18050      -144.8 
1 1 1 24 9  26 o 2.380000       1.086000      207.3433      -171.0 
1 1 1 24 9  27 o -0.5885000     1.093000      221.0250      43.6   
1 1 1 24 9  28 o 0.3822000      1.031000      67.14102      -163.0 
1 1 1 24 9  29 o 2.546000       1.119000      331.0166      -46.5  
1 1 1 24 9  30 o 6.502000       1.089000      380.8557      166.4  
1 1 1 24 9  31 o 0.7006000      1.025000      115.9990      -42.5  
1 1 1 24 9  32 o -1.421000      1.130000      48.96412      83.2   
1 1 1 24 9  33 o 0.9251000      1.308000      235.9009      -93.2  
1 1 1 24 9  34 o 2.194000       1.189000      188.9408      147.4  
1 1 1 24 9  35 o -0.7554000E-01 1.065000      153.1353      125.7  
1 1 1 24 9  36 o 1.865000       1.099000      164.3295      159.8  
1 1 1 24 9  37 o 2.266000       1.091000      105.3029      -11.0  
1 1 1 24 9  38 o 0.4895000      1.104000      95.94882      116.2  
1 1 1 24 9  39 o -0.5704000     1.234000      28.07086      105.2  
1 1 1 24 9  40 o 2.304000       1.371000      125.9795      172.5  
1 1 1 24 9  41 o -0.5217000     1.285000      102.0037      167.4  
1 1 1 24 9  42 o -0.1936000     1.307000      76.14735      -41.2  
1 1 1 24 9  43 o 0.2608000      1.462000      57.26055      -89.8  
1 1 1 24 9  44 o -0.8217000     1.381000      34.71369      139.3  
1 1 1 24 9  45 o 1.685000       1.294000      195.9060      47.5   
1 1 1 24 9  46 o 2.267000       1.321000      145.3334      155.2  
1 1 1 24 9  47 o 2.622000       1.337000      163.6816      -147.0 
1 1 1 24 9  48 o -4.641000      1.447000      87.02271      47.7   
1 1 1 24 9  49 o 4.409000       1.376000      140.8091      18.5   
1 1 1 24 9  50 o 0.5665000      1.356000      39.12554      -75.9  
1 1 1 24 9  51 o -0.7255000     1.464000      88.04722      -178.5 
1 1 1 24 9  52 o -0.1814000     1.528000      ?             ?      
1 1 1 24 9  53 o 2.644000       1.447000      ?             ?      
1 1 1 24 9  54 o -0.4836000     1.272000      ?             ?      
1 1 1 24 9  55 o 0.5677000      1.261000      ?             ?      
1 1 1 24 9  56 o -0.1366000     1.235000      ?             ?      
1 1 1 24 9  57 o -1.049000      1.228000      ?             ?      
1 1 1 24 9  58 o -0.1187000     1.392000      ?             ?      
1 1 1 24 9  59 o 1.424000       1.360000      ?             ?      
1 1 1 24 9  60 o 0.9144000      1.489000      ?             ?      
1 1 1 24 9  61 o 1.271000       1.575000      ?             ?      
1 1 1 24 9  62 o -1.406000      1.339000      ?             ?      
1 1 1 24 9  63 o 1.305000       1.327000      ?             ?      
1 1 1 24 9  64 o 0.2851000      1.324000      ?             ?      
1 1 1 24 9  65 o 1.075000       1.262000      ?             ?      
1 1 1 24 9  66 o 0.2243000      1.388000      ?             ?      
1 1 1 24 9  67 o 0.2652000      1.573000      ?             ?      
1 1 1 24 9  68 o 0.3606000      1.483000      ?             ?      
1 1 1 24 9  69 o -1.092000      1.662000      ?             ?      
1 1 1 24 10 0  o -1.464000      1.887000      215.4858      180.0  
1 1 1 24 10 1  o -0.8538000     1.296000      147.1714      159.6  
1 1 1 24 10 2  o 1.548000       1.294000      239.8337      29.4   
1 1 1 24 10 3  o -3.124000      1.337000      90.35915      62.0   
1 1 1 24 10 4  o 0.5981000E-01  1.355000      107.9053      -29.9  
1 1 1 24 10 5  o 0.1712000      1.299000      84.48806      132.6  
1 1 1 24 10 6  o -2.387000      1.274000      171.9371      -166.6 
1 1 1 24 10 7  o -0.5502000     1.260000      177.4073      -94.0  
1 1 1 24 10 8  o -0.9984000     1.300000      69.73363      -139.4 
1 1 1 24 10 9  o 1.972000       1.352000      266.3839      -153.8 
1 1 1 24 10 10 o -0.1133000     1.311000      161.1340      5.4    
1 1 1 24 10 11 o -1.666000      1.308000      141.3777      48.7   
1 1 1 24 10 12 o 0.5042000      1.254000      56.38142      -157.9 
1 1 1 24 10 13 o 0.8507000      1.199000      73.70320      -99.3  
1 1 1 24 10 14 o -0.4090000     1.210000      71.23120      46.4   
1 1 1 24 10 15 o 3.183000       1.250000      66.61005      -9.1   
1 1 1 24 10 16 o -0.1695000     1.204000      166.9962      -77.0  
1 1 1 24 10 17 o 0.1427000      1.167000      38.79134      122.7  
1 1 1 24 10 18 o -0.4996000     1.115000      162.4127      -91.2  
1 1 1 24 10 19 o 0.5607000      1.038000      187.7578      -167.6 
1 1 1 24 10 20 o -2.973000      1.033000      84.55941      128.4  
1 1 1 24 10 21 o 0.3932000      1.027000      69.02559      -113.1 
1 1 1 24 10 22 o 3.046000       1.018000      232.6956      -80.6  
1 1 1 24 10 23 o 2.736000       1.024000      239.0587      171.7  
1 1 1 24 10 24 o 1.414000       1.053000      233.2290      164.3  
1 1 1 24 10 25 o 0.1150000E-01  1.003000      59.03051      16.7   
1 1 1 24 10 26 o -1.009000      1.086000      90.08923      7.9    
1 1 1 24 10 27 o 2.008000       1.101000      38.27364      -155.4 
1 1 1 24 10 28 o 0.6884000      1.028000      147.7081      96.0   
1 1 1 24 10 29 o 1.398000       1.042000      196.0468      -21.0  
1 1 1 24 10 30 o 0.3958000      1.017000      80.51658      35.2   
1 1 1 24 10 31 o 1.120000       1.125000      81.59438      -78.7  
1 1 1 24 10 32 o 2.343000       1.162000      112.0905      101.2  
1 1 1 24 10 33 o 2.265000       1.271000      72.61088      146.4  
1 1 1 24 10 34 o -1.594000      1.148000      147.7139      -75.0  
1 1 1 24 10 35 o 1.068000       1.057000      36.68399      -35.5  
1 1 1 24 10 36 o 2.976000       1.087000      178.9916      -168.2 
1 1 1 24 10 37 o 0.2609000      1.080000      122.0152      -91.3  
1 1 1 24 10 38 o -1.496000      1.083000      75.86497      -165.5 
1 1 1 24 10 39 o -2.389000      1.222000      68.91591      9.0    
1 1 1 24 10 40 o 0.6698000      1.353000      45.05651      174.8  
1 1 1 24 10 41 o -1.934000      1.261000      68.97685      56.5   
1 1 1 24 10 42 o -2.313000      1.332000      67.57922      -156.9 
1 1 1 24 10 43 o -0.1601000     1.470000      64.35934      142.5  
1 1 1 24 10 44 o -1.802000      1.378000      157.4517      74.9   
1 1 1 24 10 45 o -0.6113000     1.290000      123.1124      131.8  
1 1 1 24 10 46 o -0.2066000     1.309000      59.04713      -103.4 
1 1 1 24 10 47 o -2.139000      1.314000      143.5487      -118.0 
1 1 1 24 10 48 o 0.3662000      1.331000      97.96786      -120.4 
1 1 1 24 10 49 o 0.4815000      1.362000      71.87734      110.1  
1 1 1 24 10 50 o 0.1496000      1.462000      43.68978      -160.1 
1 1 1 24 10 51 o 2.281000       1.531000      58.42098      -143.1 
1 1 1 24 10 52 o 1.996000       1.594000      ?             ?      
1 1 1 24 10 53 o -1.025000      1.359000      ?             ?      
1 1 1 24 10 54 o -0.7629000     1.253000      ?             ?      
1 1 1 24 10 55 o -0.4544000     1.241000      ?             ?      
1 1 1 24 10 56 o 0.8513000E-01  1.231000      ?             ?      
1 1 1 24 10 57 o -1.119000      1.226000      ?             ?      
1 1 1 24 10 58 o 0.5358000      1.385000      ?             ?      
1 1 1 24 10 59 o 0.7163000      1.473000      ?             ?      
1 1 1 24 10 60 o -1.779000      1.323000      ?             ?      
1 1 1 24 10 61 o -3.067000      1.313000      ?             ?      
1 1 1 24 10 62 o -0.3546000E-01 1.331000      ?             ?      
1 1 1 24 10 63 o -1.016000      1.356000      ?             ?      
1 1 1 24 10 64 o 1.580000       1.356000      ?             ?      
1 1 1 24 10 65 o 0.9175000      1.354000      ?             ?      
1 1 1 24 10 66 o 2.510000       1.476000      ?             ?      
1 1 1 24 10 67 o 2.932000       1.480000      ?             ?      
1 1 1 24 10 68 o -0.2150000     1.402000      ?             ?      
1 1 1 24 11 0  o 2.522000       1.672000      76.36964      -0.0   
1 1 1 24 11 1  o -1.835000      1.392000      109.0585      -69.2  
1 1 1 24 11 2  o -0.7899000     1.315000      223.8842      101.9  
1 1 1 24 11 3  o 2.193000       1.333000      134.0686      123.1  
1 1 1 24 11 4  o -1.312000      1.470000      250.9367      105.0  
1 1 1 24 11 5  o 3.811000       1.316000      126.0714      -120.1 
1 1 1 24 11 6  o -2.187000      1.292000      41.54473      -10.7  
1 1 1 24 11 7  o -1.250000      1.257000      49.31257      -24.0  
1 1 1 24 11 8  o -0.5457000     1.314000      167.1755      -177.6 
1 1 1 24 11 9  o -1.501000      1.346000      59.59794      146.8  
1 1 1 24 11 11 o -0.1291000     1.331000      118.3086      76.5   
1 1 1 24 11 12 o 0.3956000      1.349000      108.0447      -171.0 
1 1 1 24 11 13 o -0.9737000     1.236000      112.3312      179.0  
1 1 1 24 11 14 o 1.794000       1.243000      60.68674      20.1   
1 1 1 24 11 15 o -1.937000      1.332000      203.8062      -17.5  
1 1 1 24 11 16 o 1.398000       1.339000      160.7983      -72.4  
1 1 1 24 11 17 o -0.7101000     1.073000      84.75359      12.5   
1 1 1 24 11 18 o -2.468000      1.063000      70.35999      -113.2 
1 1 1 24 11 19 o -1.561000      1.024000      133.6259      7.6    
1 1 1 24 11 20 o -1.448000      1.104000      165.6916      126.0  
1 1 1 24 11 21 o -1.156000      1.072000      249.8417      60.5   
1 1 1 24 11 22 o 0.7018000      1.058000      84.29745      29.4   
1 1 1 24 11 23 o 0.5709000      1.018000      70.23862      -23.4  
1 1 1 24 11 24 o -0.2605000     1.083000      52.86001      -2.1   
1 1 1 24 11 25 o 0.1232000      1.080000      153.4087      137.3  
1 1 1 24 11 26 o 0.1135000E-01  0.9863000     96.69411      41.4   
1 1 1 24 11 27 o -0.9559000     1.008000      189.0307      175.9  
1 1 1 24 11 28 o -0.4916000     1.011000      14.15960      19.5   
1 1 1 24 11 29 o -0.8957000     1.014000      56.80490      167.1  
1 1 1 24 11 30 o 0.4608000      1.009000      87.30985      -25.8  
1 1 1 24 11 31 o 0.1584000      1.118000      119.4967      -33.4  
1 1 1 24 11 32 o -2.910000      1.324000      66.77407      88.8   
1 1 1 24 11 33 o 1.662000       1.161000      104.0976      -151.8 
1 1 1 24 11 34 o -0.4162000     1.032000      104.9529      121.4  
1 1 1 24 11 35 o -2.278000      1.050000      127.8412      42.8   
1 1 1 24 11 36 o -0.7542000     1.055000      38.57804      -143.3 
1 1 1 24 11 37 o 0.8045000      1.092000      142.6799      -33.5  
1 1 1 24 11 38 o 0.1076000      1.108000      79.50951      1.7    
1 1 1 24 11 39 o 0.7956000      1.236000      168.6412      36.8   
1 1 1 24 11 40 o 0.1679000E-01  1.259000      59.59978      78.9   
1 1 1 24 11 41 o -0.3827000     1.274000      126.4915      -130.8 
1 1 1 24 11 42 o -0.2567000     1.317000      43.17536      -97.0  
1 1 1 24 11 43 o -0.6412000     1.385000      71.27152      -141.3 
1 1 1 24 11 44 o -1.701000      1.514000      52.61485      -142.5 
1 1 1 24 11 45 o 2.086000       1.409000      180.7849      84.6   
1 1 1 24 11 46 o 0.9208000      1.308000      99.28553      -16.2  
1 1 1 24 11 47 o -1.383000      1.326000      45.89493      55.6   
1 1 1 24 11 48 o -1.107000      1.345000      178.9316      -159.1 
1 1 1 24 11 49 o -0.9989000     1.373000      58.10846      40.5   
1 1 1 24 11 50 o 1.760000       1.473000      176.5505      -103.6 
1 1 1 24 11 51 o 0.9585000      1.624000      48.34940      -118.4 
1 1 1 24 11 52 o 0.5674000      1.445000      ?             ?      
1 1 1 24 11 53 o 1.816000       1.259000      ?             ?      
1 1 1 24 11 54 o -0.3293000     1.237000      ?             ?      
1 1 1 24 11 55 o 0.7422000      1.225000      ?             ?      
1 1 1 24 11 56 o -0.1802000     1.215000      ?             ?      
1 1 1 24 11 57 o -2.126000      1.211000      ?             ?      
1 1 1 24 11 58 o 0.6152000      1.241000      ?             ?      
1 1 1 24 11 59 o -0.8742000     1.364000      ?             ?      
1 1 1 24 11 60 o -1.013000      1.312000      ?             ?      
1 1 1 24 11 61 o -0.5523000     1.478000      ?             ?      
1 1 1 24 11 62 o -0.8507000     1.436000      ?             ?      
1 1 1 24 11 63 o -1.262000      1.331000      ?             ?      
1 1 1 24 11 64 o -2.142000      1.243000      ?             ?      
1 1 1 24 11 65 o 1.312000       1.595000      ?             ?      
1 1 1 24 11 66 o -1.981000      1.735000      ?             ?      
1 1 1 24 11 67 o 1.328000       1.556000      ?             ?      
1 1 1 24 11 68 o -0.1013000     1.477000      ?             ?      
1 1 1 24 12 0  o 4.150000       1.735000      173.8296      180.0  
1 1 1 24 12 1  o 0.4500000      1.341000      117.4333      35.2   
1 1 1 24 12 2  o 2.462000       1.342000      184.3442      -119.6 
1 1 1 24 12 3  o -0.1360000E-01 1.349000      270.3467      144.9  
1 1 1 24 12 4  o -0.8305000     1.341000      172.9560      7.1    
1 1 1 24 12 5  o -0.1994000E-01 1.269000      96.62952      -114.7 
1 1 1 24 12 6  o -1.828000      1.276000      73.97659      -20.8  
1 1 1 24 12 7  o 5.393000       1.301000      270.2542      -123.5 
1 1 1 24 12 8  o -3.658000      1.291000      44.23164      -85.1  
1 1 1 24 12 9  o -1.087000      1.312000      88.85877      -38.0  
1 1 1 24 12 10 o 1.419000       1.310000      58.62470      62.6   
1 1 1 24 12 11 o -0.6696000     1.288000      140.4592      -54.2  
1 1 1 24 12 12 o -2.616000      1.323000      111.3966      -112.5 
1 1 1 24 12 13 o -2.342000      1.304000      255.1135      154.4  
1 1 1 24 12 14 o -0.3096000     1.252000      89.41315      -144.3 
1 1 1 24 12 15 o 0.3171000      1.288000      191.8228      33.1   
1 1 1 24 12 16 o -2.031000      1.268000      191.6711      167.4  
1 1 1 24 12 17 o 5.080000       1.309000      434.1901      135.1  
1 1 1 24 12 18 o -0.4651000     1.127000      170.8133      -155.8 
1 1 1 24 12 19 o -3.110000      1.082000      101.0568      -111.3 
1 1 1 24 12 20 o 0.8870000      1.034000      253.0916      -104.9 
1 1 1 24 12 21 o 0.7119000      1.080000      142.8664      82.6   
1 1 1 24 12 22 o -0.7286000     1.073000      261.4494      179.0  
1 1 1 24 12 23 o -1.081000      1.020000      94.78633      -177.4 
1 1 1 24 12 24 o 0.1978000      1.007000      122.0378      -25.1  
1 1 1 24 12 25 o 1.923000       1.027000      251.1171      -27.9  
1 1 1 24 12 26 o 1.794000       0.9903000     60.56347      -43.2  
1 1 1 24 12 27 o -0.1070000     0.9942000     27.70710      0.8    
1 1 1 24 12 28 o 0.6660000      1.011000      13.64995      -41.4  
1 1 1 24 12 29 o 1.128000       1.010000      101.9956      75.2   
1 1 1 24 12 30 o 0.2735000      1.135000      58.33607      -13.3  
1 1 1 24 12 31 o -0.1108000     1.130000      54.75724      55.6   
1 1 1 24 12 32 o 0.7981000      1.241000      114.9906      109.9  
1 1 1 24 12 33 o -1.091000      1.147000      97.51227      5.9    
1 1 1 24 12 34 o 0.7496000      1.052000      70.07089      142.0  
1 1 1 24 12 35 o 0.2118000      1.052000      79.07762      -143.2 
1 1 1 24 12 36 o 1.335000       1.067000      98.40665      25.9   
1 1 1 24 12 37 o -0.6804000     1.095000      179.7449      -149.7 
1 1 1 24 12 38 o 3.355000       1.133000      182.4090      156.4  
1 1 1 24 12 39 o -0.4675000     1.151000      66.19020      -62.7  
1 1 1 24 12 40 o 1.827000       1.275000      196.2117      -94.2  
1 1 1 24 12 41 o -0.1932000     1.375000      135.4442      137.3  
1 1 1 24 12 42 o 0.5270000E-01  1.311000      160.0620      58.5   
1 1 1 24 12 43 o 1.860000       1.419000      155.9154      23.7   
1 1 1 24 12 44 o 2.149000       1.462000      156.0624      155.3  
1 1 1 24 12 45 o -0.6986000E-01 1.435000      158.2469      146.3  
1 1 1 24 12 46 o -0.1269000     1.336000      82.19844      162.7  
1 1 1 24 12 47 o 0.1906000      1.347000      157.6888      -96.8  
1 1 1 24 12 48 o 1.318000       1.375000      121.4606      50.3   
1 1 1 24 12 49 o 1.368000       1.460000      208.7371      -29.3  
1 1 1 24 12 50 o -2.720000      1.510000      129.3401      -58.7  
1 1 1 24 12 51 o -0.1578000E-01 1.597000      ?             ?      
1 1 1 24 12 52 o 1.249000       1.364000      ?             ?      
1 1 1 24 12 53 o -1.309000      1.232000      ?             ?      
1 1 1 24 12 54 o -0.2717000     1.225000      ?             ?      
1 1 1 24 12 55 o 1.632000       1.227000      ?             ?      
1 1 1 24 12 56 o 1.727000       1.219000      ?             ?      
1 1 1 24 12 57 o 1.159000       1.218000      ?             ?      
1 1 1 24 12 58 o -2.046000      1.276000      ?             ?      
1 1 1 24 12 59 o 1.213000       1.374000      ?             ?      
1 1 1 24 12 60 o -0.7006000     1.450000      ?             ?      
1 1 1 24 12 61 o 1.356000       1.325000      ?             ?      
1 1 1 24 12 62 o -1.079000      1.323000      ?             ?      
1 1 1 24 12 63 o -1.362000      1.348000      ?             ?      
1 1 1 24 12 64 o -0.7369000     1.256000      ?             ?      
1 1 1 24 12 65 o 0.2924000      1.395000      ?             ?      
1 1 1 24 12 66 o 0.6763000E-01  1.457000      ?             ?      
1 1 1 24 12 67 o 2.272000       1.470000      ?             ?      
1 1 1 24 12 68 o 0.9333000      1.421000      ?             ?      
1 1 1 24 13 0  o 1.110000       1.695000      237.7910      0.0    
1 1 1 24 13 1  o -2.244000      1.234000      219.0689      -33.5  
1 1 1 24 13 2  o 1.512000       1.361000      289.4227      121.7  
1 1 1 24 13 3  o 0.6842000      1.374000      291.6580      113.7  
1 1 1 24 13 4  o 5.049000       1.387000      481.3378      177.2  
1 1 1 24 13 5  o 1.050000       1.256000      189.3327      -160.6 
1 1 1 24 13 6  o 2.261000       1.231000      165.3015      52.1   
1 1 1 24 13 7  o -3.654000      1.250000      22.05133      -35.8  
1 1 1 24 13 8  o 3.378000       1.291000      302.9858      -157.6 
1 1 1 24 13 9  o 0.8052000      1.294000      140.8856      -105.6 
1 1 1 24 13 10 o -0.6082000     1.278000      176.1109      114.2  
1 1 1 24 13 11 o 4.325000       1.343000      94.60300      -168.5 
1 1 1 24 13 12 o 1.054000       1.308000      317.3964      -136.6 
1 1 1 24 13 13 o -1.095000      1.317000      154.5310      52.2   
1 1 1 24 13 14 o 1.787000       1.290000      339.9431      123.5  
1 1 1 24 13 15 o 3.745000       1.307000      409.6302      -86.1  
1 1 1 24 13 16 o 1.331000       1.330000      254.3879      -157.1 
1 1 1 24 13 17 o 2.671000       1.312000      236.3105      3.4    
1 1 1 24 13 18 o 1.566000       1.247000      270.9365      -153.4 
1 1 1 24 13 19 o 5.982000       1.156000      346.5493      -9.8   
1 1 1 24 13 20 o 1.878000       1.046000      181.8339      -144.0 
1 1 1 24 13 21 o 1.839000       1.016000      195.3695      -10.2  
1 1 1 24 13 22 o 1.488000       1.022000      145.4823      -84.8  
1 1 1 24 13 23 o -1.193000      1.017000      180.4614      -3.9   
1 1 1 24 13 24 o 1.486000       1.009000      133.8451      91.8   
1 1 1 24 13 25 o 0.5244000      0.9972000     132.3421      -12.1  
1 1 1 24 13 26 o 1.357000       0.9929000     116.5766      125.7  
1 1 1 24 13 27 o 0.7548000      0.9913000     196.2089      163.8  
1 1 1 24 13 28 o 2.162000       1.027000      321.5707      120.9  
1 1 1 24 13 29 o 1.850000       1.033000      136.4158      81.4   
1 1 1 24 13 30 o -1.009000      1.117000      25.04656      -160.6 
1 1 1 24 13 31 o 3.809000       1.342000      206.1338      118.7  
1 1 1 24 13 32 o 2.672000       1.165000      93.22694      -40.1  
1 1 1 24 13 33 o 1.235000       1.058000      113.9193      -66.0  
1 1 1 24 13 34 o 0.3236000      1.060000      198.2073      78.9   
1 1 1 24 13 35 o 1.665000       1.187000      203.9405      47.3   
1 1 1 24 13 36 o 0.7419000      1.097000      116.4054      -117.2 
1 1 1 24 13 37 o 2.619000       1.130000      163.6237      86.0   
1 1 1 24 13 38 o -1.570000      1.136000      48.16980      140.3  
1 1 1 24 13 39 o 3.543000       1.186000      223.1409      51.5   
1 1 1 24 13 40 o 0.7814000      1.275000      27.73534      107.8  
1 1 1 24 13 41 o 0.2925000      1.395000      208.3497      -175.4 
1 1 1 24 13 42 o 0.6851000      1.322000      22.43099      110.5  
1 1 1 24 13 43 o 4.624000       1.416000      313.4045      -150.2 
1 1 1 24 13 44 o 2.937000       1.476000      163.7358      -121.9 
1 1 1 24 13 45 o 1.876000       1.587000      166.0269      -13.9  
1 1 1 24 13 46 o 3.989000       1.466000      245.3246      50.4   
1 1 1 24 13 47 o 0.2250000      1.343000      155.1898      157.1  
1 1 1 24 13 48 o 1.360000       1.353000      134.6660      91.8   
1 1 1 24 13 49 o 1.098000       1.529000      189.0577      155.3  
1 1 1 24 13 50 o 0.3193000      1.588000      115.3580      -63.7  
1 1 1 24 13 51 o 0.3990000      1.434000      ?             ?      
1 1 1 24 13 52 o -1.101000      1.240000      ?             ?      
1 1 1 24 13 53 o -1.170000      1.229000      ?             ?      
1 1 1 24 13 54 o 1.427000       1.229000      ?             ?      
1 1 1 24 13 55 o 2.741000       1.222000      ?             ?      
1 1 1 24 13 56 o 1.089000       1.214000      ?             ?      
1 1 1 24 13 57 o -1.545000      1.210000      ?             ?      
1 1 1 24 13 58 o -0.3636000     1.229000      ?             ?      
1 1 1 24 13 59 o 1.723000       1.371000      ?             ?      
1 1 1 24 13 60 o 1.917000       1.388000      ?             ?      
1 1 1 24 13 61 o 0.1889000      1.338000      ?             ?      
1 1 1 24 13 62 o -1.035000      1.328000      ?             ?      
1 1 1 24 13 63 o 2.481000       1.446000      ?             ?      
1 1 1 24 13 64 o -0.9605000     1.472000      ?             ?      
1 1 1 24 13 65 o 0.2596000      1.462000      ?             ?      
1 1 1 24 13 66 o -1.422000      1.545000      ?             ?      
1 1 1 24 13 67 o -1.845000      1.411000      ?             ?      
1 1 1 24 13 68 o -1.028000      1.319000      ?             ?      
1 1 1 24 14 0  o 2.824000       1.649000      311.6787      -180.0 
1 1 1 24 14 1  o 4.422000       1.222000      319.2743      -27.5  
1 1 1 24 14 2  o -0.6272000     2.367000      439.6011      -123.3 
1 1 1 24 14 3  o 0.2963000      1.350000      264.6682      9.7    
1 1 1 24 14 4  o 2.543000       1.216000      411.1870      -6.3   
1 1 1 24 14 5  o 1.144000       1.244000      191.4054      -49.8  
1 1 1 24 14 6  o 5.707000       1.295000      447.3200      124.1  
1 1 1 24 14 7  o 0.4151000      1.273000      171.4865      119.3  
1 1 1 24 14 8  o 2.952000       1.266000      276.1274      111.7  
1 1 1 24 14 9  o 1.154000       1.251000      327.8048      -23.1  
1 1 1 24 14 10 o 2.833000       1.270000      118.6491      45.1   
1 1 1 24 14 11 o 3.221000       1.304000      249.2444      -47.0  
1 1 1 24 14 12 o 28.14000       1.965000      686.5728      -135.9 
1 1 1 24 14 13 o 0.3741000E-01  1.455000      27.16437      -138.3 
1 1 1 24 14 14 f 25.02000       1.743000      781.8850      4.4    
1 1 1 24 14 15 o 3.980000       1.306000      468.2795      -47.1  
1 1 1 24 14 16 o 8.164000       1.397000      458.9184      -160.3 
1 1 1 24 14 17 o 1.676000       1.358000      339.0747      -137.2 
1 1 1 24 14 18 o -1.258000      1.221000      219.4349      -33.9  
1 1 1 24 14 19 o 8.204000       1.088000      357.7250      -64.3  
1 1 1 24 14 20 o -1.159000      1.048000      184.3899      -133.3 
1 1 1 24 14 21 o 6.206000       1.062000      511.6427      75.4   
1 1 1 24 14 22 o 10.34000       1.096000      462.8228      67.9   
1 1 1 24 14 23 o 4.133000       1.045000      209.4364      -44.7  
1 1 1 24 14 24 o 3.240000       1.037000      390.5761      172.4  
1 1 1 24 14 25 o 3.579000       1.009000      307.7846      -77.2  
1 1 1 24 14 26 o 3.052000       0.9970000     169.1530      74.5   
1 1 1 24 14 27 o 1.229000       0.9799000     130.3271      -96.9  
1 1 1 24 14 28 o 0.3508000      0.9901000     216.0773      -87.4  
1 1 1 24 14 29 o 2.814000       1.101000      335.1080      -53.4  
1 1 1 24 14 30 o 0.2843000      1.135000      38.83213      33.8   
1 1 1 24 14 31 o 2.564000       1.262000      179.2222      104.3  
1 1 1 24 14 32 o -0.3012000     1.178000      230.0408      131.5  
1 1 1 24 14 33 o 0.8562000      1.056000      156.1120      -39.6  
1 1 1 24 14 34 o 0.8195000      1.088000      299.9319      149.4  
1 1 1 24 14 35 o -0.3835000     1.084000      192.0599      -129.4 
1 1 1 24 14 36 o -0.6965000     1.090000      24.78722      -92.8  
1 1 1 24 14 37 o 4.825000       1.166000      401.6915      -135.5 
1 1 1 24 14 38 o 9.852000       1.218000      444.0793      129.0  
1 1 1 24 14 39 o 2.641000       1.175000      248.3524      60.6   
1 1 1 24 14 40 o 5.323000       1.355000      303.3553      -84.1  
1 1 1 24 14 41 o -1.109000      1.343000      124.7525      66.0   
1 1 1 24 14 42 o 4.928000       1.493000      289.3955      26.7   
1 1 1 24 14 43 o -0.1753000     1.389000      191.4576      32.9   
1 1 1 24 14 44 o 6.367000       1.509000      438.6244      140.8  
1 1 1 24 14 45 o 1.112000       1.489000      123.7872      127.4  
1 1 1 24 14 46 o -0.5142000     1.454000      136.8164      -70.4  
1 1 1 24 14 47 o 3.056000       1.370000      238.7686      -72.3  
1 1 1 24 14 48 o 3.087000       1.362000      175.1789      -9.7   
1 1 1 24 14 49 o 2.647000       1.501000      145.0436      148.9  
1 1 1 24 14 50 o 0.4987000E-01  1.575000      69.56763      -74.1  
1 1 1 24 14 51 o 0.2522000      1.415000      ?             ?      
1 1 1 24 14 52 o 1.358000       1.231000      ?             ?      
1 1 1 24 14 53 o -0.7558000     1.219000      ?             ?      
1 1 1 24 14 54 o 2.340000       1.222000      ?             ?      
1 1 1 24 14 55 o 0.7101000      1.224000      ?             ?      
1 1 1 24 14 56 o 2.391000       1.224000      ?             ?      
1 1 1 24 14 57 o 2.384000       1.236000      ?             ?      
1 1 1 24 14 58 o 2.596000       1.237000      ?             ?      
1 1 1 24 14 59 o -2.386000      1.222000      ?             ?      
1 1 1 24 14 60 o -0.3664000     1.388000      ?             ?      
1 1 1 24 14 61 o 1.577000       1.347000      ?             ?      
1 1 1 24 14 62 o 2.327000       1.352000      ?             ?      
1 1 1 24 14 63 o -0.4531000     1.346000      ?             ?      
1 1 1 24 14 64 o 0.2277000      1.469000      ?             ?      
1 1 1 24 14 65 o 0.8649000E-01  1.466000      ?             ?      
1 1 1 24 14 66 o -1.155000      1.971000      ?             ?      
1 1 1 24 14 67 o -1.048000      1.298000      ?             ?      
1 1 1 24 15 0  o 3.575000       1.789000      341.2080      -0.0   
1 1 1 24 15 1  o 8.152000       1.266000      294.9441      144.9  
1 1 1 24 15 2  o 6.797000       1.416000      540.6782      19.6   
1 1 1 24 15 3  o 26.80000       1.627000      534.5938      -48.6  
1 1 1 24 15 4  o 3.547000       1.264000      343.8148      153.3  
1 1 1 24 15 5  o 1.655000       1.243000      85.62588      104.8  
1 1 1 24 15 6  o 6.164000       1.274000      502.9112      -169.0 
1 1 1 24 15 7  o 28.62000       1.672000      513.9526      -135.6 
1 1 1 24 15 8  o 2.782000       1.258000      349.4195      165.3  
1 1 1 24 15 9  o 7.965000       1.287000      488.7484      138.8  
1 1 1 24 15 10 o 19.06000       1.440000      557.3071      55.6   
1 1 1 24 15 11 o 14.35000       1.452000      462.8867      -106.5 
1 1 1 24 15 12 o 1.044000       1.249000      57.24557      -93.0  
1 1 1 24 15 13 o 0.7907000E-01  1.357000      116.0100      -68.0  
1 1 1 24 15 14 o 4.377000       1.466000      441.7227      111.2  
1 1 1 24 15 15 o 2.566000       1.355000      382.6605      -31.2  
1 1 1 24 15 16 o -0.9139000     1.228000      330.5221      48.6   
1 1 1 24 15 17 o 3.883000       1.233000      358.4130      -102.2 
1 1 1 24 15 18 o 5.124000       1.242000      231.1817      113.8  
1 1 1 24 15 19 o 0.6606000      1.224000      297.3869      -28.9  
1 1 1 24 15 20 o 11.96000       1.147000      520.5594      -141.1 
1 1 1 24 15 21 o -0.4765000     1.039000      127.3827      64.3   
1 1 1 24 15 22 o 6.206000       1.047000      438.0058      121.3  
1 1 1 24 15 23 o 2.195000       1.024000      298.2340      -93.0  
1 1 1 24 15 24 o 22.55000       1.215000      649.2706      -37.6  
1 1 1 24 15 25 o 4.526000       1.041000      187.8602      -100.9 
1 1 1 24 15 26 o 3.631000       1.004000      206.1834      27.0   
1 1 1 24 15 27 o 1.337000       0.9897000     238.0169      -131.9 
1 1 1 24 15 28 o 2.716000       1.017000      181.0330      156.0  
1 1 1 24 15 29 o -0.9441000     1.089000      96.93186      -48.1  
1 1 1 24 15 30 o 1.586000       1.330000      166.4743      -2.7   
1 1 1 24 15 31 o -1.343000      1.321000      71.79142      139.3  
1 1 1 24 15 32 o 2.494000       1.098000      141.9170      -15.2  
1 1 1 24 15 33 o 7.381000       1.251000      383.9845      -55.4  
1 1 1 24 15 34 o 10.76000       1.150000      444.3112      9.7    
1 1 1 24 15 35 o 1.003000       1.086000      204.0720      -76.8  
1 1 1 24 15 36 f 1.083000       1.107000      178.6802      -81.6  
1 1 1 24 15 37 o 4.938000       1.175000      336.5340      138.3  
1 1 1 24 15 38 o 2.444000       1.184000      299.8023      -116.5 
1 1 1 24 15 39 o 1.104000       1.180000      100.4679      27.4   
1 1 1 24 15 40 o 5.561000       1.239000      250.1593      175.2  
1 1 1 24 15 41 o 8.142000       1.425000      455.8531      78.9   
1 1 1 24 15 42 o 4.180000       1.530000      177.9129      157.1  
1 1 1 24 15 43 o 20.11000       1.563000      667.0948      -156.9 
1 1 1 24 15 44 o 1.115000       1.326000      71.46056      -141.5 
1 1 1 24 15 45 o 2.116000       1.492000      366.7070      12.8   
1 1 1 24 15 46 o 0.3533000      1.592000      124.0911      -3.4   
1 1 1 24 15 47 o 3.930000       1.475000      277.1254      153.5  
1 1 1 24 15 48 o 0.3488000      1.486000      217.0947      -98.9  
1 1 1 24 15 49 o 2.597000       1.619000      216.6624      -170.2 
1 1 1 24 15 50 o 3.514000       1.477000      ?             ?      
1 1 1 24 15 51 o 0.8011000      1.246000      ?             ?      
1 1 1 24 15 52 o 2.578000       1.245000      ?             ?      
1 1 1 24 15 53 o 0.9958000E-01  1.210000      ?             ?      
1 1 1 24 15 54 o 3.114000       1.229000      ?             ?      
1 1 1 24 15 55 o 1.343000       1.207000      ?             ?      
1 1 1 24 15 56 o -0.4166000     1.211000      ?             ?      
1 1 1 24 15 57 o 2.396000       1.235000      ?             ?      
1 1 1 24 15 58 o 1.856000       1.225000      ?             ?      
1 1 1 24 15 59 o 3.625000       1.253000      ?             ?      
1 1 1 24 15 60 o 1.975000       1.416000      ?             ?      
1 1 1 24 15 61 o 0.5897000      1.477000      ?             ?      
1 1 1 24 15 62 o 0.6344000      1.342000      ?             ?      
1 1 1 24 15 63 o -1.497000      1.354000      ?             ?      
1 1 1 24 15 64 o -0.3845000     1.750000      ?             ?      
1 1 1 24 15 65 o -1.074000      1.824000      ?             ?      
1 1 1 24 15 66 o -0.7275000     1.786000      ?             ?      
1 1 1 24 15 67 o 0.1774000      1.310000      ?             ?      
1 1 1 24 16 0  o 0.5185000      1.661000      275.6007      -180.0 
1 1 1 24 16 1  o 25.75000       1.390000      611.3155      45.3   
1 1 1 24 16 2  o 2.149000       1.266000      101.8937      -117.8 
1 1 1 24 16 3  o 71.96000       3.348000      1035.261      -2.5   
1 1 1 24 16 4  o 16.57000       1.354000      557.7986      31.0   
1 1 1 24 16 5  o 1.380000       1.212000      350.1460      -61.9  
1 1 1 24 16 6  o 53.28000       2.939000      902.3840      40.6   
1 1 1 24 16 7  o 25.09000       1.732000      658.8314      -95.6  
1 1 1 24 16 8  o 11.77000       1.448000      486.9083      -123.6 
1 1 1 24 16 9  o 1.534000       1.273000      160.2083      87.2   
1 1 1 24 16 10 o 9.487000       1.324000      411.7735      -12.3  
1 1 1 24 16 11 o 5.360000       1.285000      471.9393      105.5  
1 1 1 24 16 12 o 1.874000       1.260000      315.1241      -75.5  
1 1 1 24 16 13 o 2.470000       1.220000      144.9965      -163.5 
1 1 1 24 16 14 o 2.115000       1.237000      408.5817      4.1    
1 1 1 24 16 15 o -0.3656000     1.277000      243.3297      -105.5 
1 1 1 24 16 16 o 4.650000       1.240000      64.77007      44.5   
1 1 1 24 16 17 o 0.1719000      1.233000      250.1804      -95.9  
1 1 1 24 16 18 o 27.44000       1.463000      854.9445      -8.7   
1 1 1 24 16 19 o 7.517000       1.264000      385.9602      -139.2 
1 1 1 24 16 20 o 49.26000       2.002000      922.1974      128.1  
1 1 1 24 16 21 o 11.27000       1.122000      492.9231      48.4   
1 1 1 24 16 22 o 7.747000       1.069000      450.3223      15.9   
1 1 1 24 16 23 o 0.7866000      0.9937000     155.5976      174.1  
1 1 1 24 16 24 o 11.63000       1.094000      393.2130      27.3   
1 1 1 24 16 25 o 6.656000       1.050000      444.9505      28.2   
1 1 1 24 16 26 o 1.514000       1.025000      267.2748      127.2  
1 1 1 24 16 27 o 7.582000       1.047000      365.3611      43.7   
1 1 1 24 16 28 o 7.509000       1.104000      371.7903      -48.0  
1 1 1 24 16 29 o 3.937000       1.175000      289.7874      138.9  
1 1 1 24 16 30 o 12.81000       1.303000      524.0065      127.0  
1 1 1 24 16 31 o 8.088000       1.245000      295.1708      54.7   
1 1 1 24 16 32 o -0.1318000     1.076000      191.9377      -175.5 
1 1 1 24 16 33 o 0.3662000      1.093000      115.5794      6.0    
1 1 1 24 16 34 o 5.895000       1.111000      291.2387      -42.7  
1 1 1 24 16 35 o 3.657000       1.110000      211.0180      -121.6 
1 1 1 24 16 36 o 3.970000       1.140000      243.1853      22.1   
1 1 1 24 16 37 o 3.260000       1.190000      191.9919      174.9  
1 1 1 24 16 38 o 16.63000       1.304000      568.3270      78.6   
1 1 1 24 16 39 o 3.799000       1.209000      237.6397      -10.0  
1 1 1 24 16 40 o 8.031000       1.272000      389.8900      -99.9  
1 1 1 24 16 41 o 1.371000       1.408000      309.2860      168.6  
1 1 1 24 16 42 o 5.824000       1.480000      292.9809      36.2   
1 1 1 24 16 43 o 0.8421000      1.419000      165.1343      -25.0  
1 1 1 24 16 44 o 7.149000       1.460000      285.3778      156.5  
1 1 1 24 16 45 o 3.411000       1.517000      285.6446      -5.0   
1 1 1 24 16 46 o 4.411000       1.526000      240.8139      -16.7  
1 1 1 24 16 47 o 2.814000       1.476000      251.0768      2.7    
1 1 1 24 16 48 o 1.378000       1.632000      186.6464      152.1  
1 1 1 24 16 49 o 0.8908000      1.613000      123.8188      69.9   
1 1 1 24 16 50 o 5.403000       1.459000      ?             ?      
1 1 1 24 16 51 o -0.9428000E-01 1.243000      ?             ?      
1 1 1 24 16 52 o 2.391000       1.247000      ?             ?      
1 1 1 24 16 53 o 1.128000       1.229000      ?             ?      
1 1 1 24 16 54 o 1.879000       1.211000      ?             ?      
1 1 1 24 16 55 o 2.847000       1.226000      ?             ?      
1 1 1 24 16 56 o 1.695000       1.219000      ?             ?      
1 1 1 24 16 57 o 4.428000       1.246000      ?             ?      
1 1 1 24 16 58 o 0.3136000      1.209000      ?             ?      
1 1 1 24 16 59 o 1.089000       1.231000      ?             ?      
1 1 1 24 16 60 o 1.734000       1.390000      ?             ?      
1 1 1 24 16 61 o 2.052000       1.380000      ?             ?      
1 1 1 24 16 62 o 0.2023000      1.341000      ?             ?      
1 1 1 24 16 63 o -1.691000      1.378000      ?             ?      
1 1 1 24 16 64 o -2.071000      1.700000      ?             ?      
1 1 1 24 16 65 o 1.114000       1.634000      ?             ?      
1 1 1 24 16 66 o 1.827000       1.311000      ?             ?      
1 1 1 24 16 67 o 0.8199000E-01  1.308000      ?             ?      
1 1 1 24 17 0  o 86.90000       3.253000      1331.983      -180.0 
1 1 1 24 17 1  o -0.1263000     1.151000      305.2414      13.7   
1 1 1 24 17 2  o 1.634000       1.196000      240.8665      -6.0   
1 1 1 24 17 3  o 53.31000       3.032000      968.8185      93.1   
1 1 1 24 17 4  o 31.29000       2.742000      825.7700      90.4   
1 1 1 24 17 5  o 16.29000       1.550000      753.7471      -178.5 
1 1 1 24 17 6  o 14.21000       1.295000      670.5473      -6.4   
1 1 1 24 17 7  o 1.469000       1.214000      324.5221      -52.7  
1 1 1 24 17 8  o 31.99000       1.707000      697.3290      162.7  
1 1 1 24 17 9  o 29.08000       1.667000      831.1359      59.7   
1 1 1 24 17 10 o 16.27000       1.323000      659.9581      -10.9  
1 1 1 24 17 11 o 5.837000       1.206000      194.6676      96.2   
1 1 1 24 17 12 o 26.00000       1.414000      700.2642      -172.4 
1 1 1 24 17 13 o 12.88000       1.285000      569.0546      104.1  
1 1 1 24 17 14 o 2.812000       1.195000      164.4477      9.5    
1 1 1 24 17 15 o 20.08000       1.472000      455.0490      -112.9 
1 1 1 24 17 16 o 22.10000       1.460000      496.1755      148.4  
1 1 1 24 17 17 o 16.74000       1.678000      688.8111      149.2  
1 1 1 24 17 18 o 18.09000       1.450000      644.1656      91.0   
1 1 1 24 17 19 o 22.11000       1.431000      571.4505      -146.3 
1 1 1 24 17 20 o 18.24000       1.386000      708.8594      -119.4 
1 1 1 24 17 21 o 13.76000       1.152000      585.5098      108.5  
1 1 1 24 17 22 o 6.769000       1.061000      342.9466      102.4  
1 1 1 24 17 23 o 1.669000       1.021000      264.0942      -27.3  
1 1 1 24 17 24 o 1.568000       1.011000      259.6098      -98.7  
1 1 1 24 17 25 o 17.07000       1.143000      648.4719      -175.8 
1 1 1 24 17 26 o 9.655000       1.079000      436.6733      176.5  
1 1 1 24 17 27 o 23.29000       1.431000      675.7036      -143.5 
1 1 1 24 17 28 o 5.269000       1.126000      293.4201      -106.2 
1 1 1 24 17 29 o 11.74000       1.387000      467.8171      -98.6  
1 1 1 24 17 30 o -0.6683000     1.148000      180.7297      0.1    
1 1 1 24 17 31 o 10.48000       1.198000      533.3674      127.5  
1 1 1 24 17 32 o 4.114000       1.128000      426.0335      32.6   
1 1 1 24 17 33 o 13.86000       1.211000      490.2238      -66.1  
1 1 1 24 17 34 o 1.290000       1.133000      208.7607      -1.9   
1 1 1 24 17 35 o 2.911000       1.141000      259.1262      -117.0 
1 1 1 24 17 36 o 7.484000       1.187000      395.6453      -57.4  
1 1 1 24 17 37 o 19.49000       1.339000      540.5837      118.0  
1 1 1 24 17 38 o 2.247000       1.205000      37.98483      -160.8 
1 1 1 24 17 39 o 1.140000       1.208000      168.0686      150.9  
1 1 1 24 17 40 o 8.203000       1.264000      337.2367      -134.5 
1 1 1 24 17 41 o 1.977000       1.428000      268.4510      44.0   
1 1 1 24 17 42 o 5.075000       1.474000      286.6548      -103.5 
1 1 1 24 17 43 o 2.610000       1.569000      279.7773      -120.2 
1 1 1 24 17 44 o 2.890000       1.445000      288.3636      24.5   
1 1 1 24 17 45 o 5.266000       1.364000      257.1946      -23.1  
1 1 1 24 17 46 o 7.681000       1.536000      388.0486      122.7  
1 1 1 24 17 47 o 4.860000       1.859000      260.1028      125.2  
1 1 1 24 17 48 o 4.657000       1.710000      300.5536      -132.7 
1 1 1 24 17 49 o 2.164000       1.495000      ?             ?      
1 1 1 24 17 50 o 2.385000       1.279000      ?             ?      
1 1 1 24 17 51 o -0.9087000E-01 1.226000      ?             ?      
1 1 1 24 17 52 o 6.513000       1.268000      ?             ?      
1 1 1 24 17 53 o 3.576000       1.226000      ?             ?      
1 1 1 24 17 54 f 0.1659000      1.187000      ?             ?      
1 1 1 24 17 55 o 0.9424000E-01  1.192000      ?             ?      
1 1 1 24 17 56 o -0.5701000     1.203000      ?             ?      
1 1 1 24 17 57 o 1.657000       1.218000      ?             ?      
1 1 1 24 17 58 o 5.101000       1.240000      ?             ?      
1 1 1 24 17 59 o 4.959000       1.253000      ?             ?      
1 1 1 24 17 60 o 3.130000       1.245000      ?             ?      
1 1 1 24 17 61 o -0.7322000     1.374000      ?             ?      
1 1 1 24 17 62 o 2.129000       1.496000      ?             ?      
1 1 1 24 17 63 o 4.403000       1.613000      ?             ?      
1 1 1 24 17 64 o -0.1474000     1.717000      ?             ?      
1 1 1 24 17 65 o 0.8877000      2.115000      ?             ?      
1 1 1 24 17 66 o 1.899000       1.445000      ?             ?      
1 1 1 24 17 67 o 3.239000       1.577000      ?             ?      
1 1 1 24 18 1  o 8.041000       1.344000      397.9100      163.5  
1 1 1 24 18 2  o 34.26000       2.570000      734.0709      108.2  
1 1 1 24 18 3  o 6.996000       1.661000      234.5286      -40.0  
1 1 1 24 18 4  o 32.56000       1.689000      655.6727      -153.1 
1 1 1 24 18 5  o 64.61000       1.997000      987.7835      27.7   
1 1 1 24 18 6  o 14.11000       1.318000      665.2554      5.0    
1 1 1 24 18 7  o 68.89000       2.170000      1004.118      -101.9 
1 1 1 24 18 8  o 11.87000       1.297000      483.2476      138.5  
1 1 1 24 18 9  o 16.37000       1.258000      610.9550      104.4  
1 1 1 24 18 10 o 9.745000       1.224000      315.7616      175.6  
1 1 1 24 18 11 o 2.180000       1.156000      90.64977      6.0    
1 1 1 24 18 12 o 17.15000       1.317000      752.5109      163.2  
1 1 1 24 18 13 o 24.80000       1.422000      675.9163      -77.9  
1 1 1 24 18 14 o 16.47000       1.308000      722.5829      45.3   
1 1 1 24 18 15 o 4.622000       1.232000      214.0417      -9.7   
1 1 1 24 18 16 o 5.184000       1.211000      467.4738      -128.7 
1 1 1 24 18 17 o 4.208000       1.307000      371.1808      -46.2  
1 1 1 24 18 18 o 13.43000       1.328000      618.2208      -107.3 
1 1 1 24 18 19 o 30.37000       1.477000      676.9536      -166.4 
1 1 1 24 18 20 o 9.340000       1.259000      352.4799      35.3   
1 1 1 24 18 21 o 19.62000       1.363000      503.8421      4.0    
1 1 1 24 18 22 o 4.773000       1.047000      330.3515      177.4  
1 1 1 24 18 23 o 12.32000       1.093000      392.0824      45.4   
1 1 1 24 18 24 o 15.02000       1.112000      403.6143      -32.6  
1 1 1 24 18 25 o 5.139000       1.038000      311.5667      -128.8 
1 1 1 24 18 26 o 4.603000       1.033000      133.9904      17.8   
1 1 1 24 18 27 o 14.66000       1.189000      592.6639      30.3   
1 1 1 24 18 28 o 6.033000       1.209000      161.1705      -38.2  
1 1 1 24 18 29 o 20.64000       1.522000      581.0459      128.5  
1 1 1 24 18 30 o 13.18000       1.227000      510.2302      -141.8 
1 1 1 24 18 31 o 33.19000       1.398000      814.9577      70.0   
1 1 1 24 18 32 o 14.95000       1.201000      522.7438      -173.4 
1 1 1 24 18 33 o 11.97000       1.229000      546.9499      -129.3 
1 1 1 24 18 34 o 14.99000       1.247000      452.6275      -73.5  
1 1 1 24 18 35 o 7.196000       1.179000      438.3680      115.7  
1 1 1 24 18 36 o 3.004000       1.159000      333.3358      -133.4 
1 1 1 24 18 37 o 1.614000       1.191000      247.4851      -153.9 
1 1 1 24 18 38 o 23.63000       1.386000      698.4164      2.9    
1 1 1 24 18 39 o 12.63000       1.284000      502.8389      -133.7 
1 1 1 24 18 40 o 5.349000       1.264000      216.7527      59.0   
1 1 1 24 18 41 o 18.06000       1.397000      624.8636      64.7   
1 1 1 24 18 42 o 18.30000       1.605000      560.4080      27.6   
1 1 1 24 18 43 o 2.866000       1.580000      215.7645      -158.6 
1 1 1 24 18 44 o 5.588000       1.448000      230.0678      162.4  
1 1 1 24 18 45 o 0.1291000E-01  1.333000      273.3955      -15.4  
1 1 1 24 18 46 o 7.723000       1.534000      336.5704      46.6   
1 1 1 24 18 47 o -2.006000      1.723000      32.71851      -145.3 
1 1 1 24 18 48 o 14.53000       1.868000      556.3833      122.2  
1 1 1 24 18 49 o 1.947000       1.604000      ?             ?      
1 1 1 24 18 50 o 2.575000       1.263000      ?             ?      
1 1 1 24 18 51 o 6.013000       1.257000      ?             ?      
1 1 1 24 18 52 o 0.4908000E-01  1.212000      ?             ?      
1 1 1 24 18 53 o 0.4793000      1.189000      ?             ?      
1 1 1 24 18 54 o 0.5313000E-01  1.175000      ?             ?      
1 1 1 24 18 55 o 2.769000       1.197000      ?             ?      
1 1 1 24 18 56 o 0.7740000      1.190000      ?             ?      
1 1 1 24 18 57 o 3.570000       1.215000      ?             ?      
1 1 1 24 18 58 o 4.852000       1.245000      ?             ?      
1 1 1 24 18 59 f 0.9844000      1.219000      ?             ?      
1 1 1 24 18 60 o 1.714000       1.237000      ?             ?      
1 1 1 24 18 61 o -0.7081000     1.379000      ?             ?      
1 1 1 24 18 62 o 1.352000       1.666000      ?             ?      
1 1 1 24 18 63 o 0.5584000      1.673000      ?             ?      
1 1 1 24 18 64 o 0.2060000      1.464000      ?             ?      
1 1 1 24 18 65 o -0.2715000     1.795000      ?             ?      
1 1 1 24 18 66 o 2.421000       1.543000      ?             ?      
1 1 1 24 19 0  o 82.92000       4.337000      1483.451      180.0  
1 1 1 24 19 1  o 91.80000       3.055000      1260.608      -168.6 
1 1 1 24 19 2  o 16.92000       1.361000      616.3739      -133.4 
1 1 1 24 19 3  o 5.655000       1.250000      312.1927      -93.5  
1 1 1 24 19 4  o 0.4590000      1.225000      311.1327      23.1   
1 1 1 24 19 5  o 28.81000       1.476000      857.0884      49.8   
1 1 1 24 19 6  o 60.94000       2.087000      867.2894      55.8   
1 1 1 24 19 7  o 4.728000       1.406000      408.4073      -99.0  
1 1 1 24 19 8  o 6.900000       1.197000      365.6705      136.9  
1 1 1 24 19 9  o 11.29000       1.192000      477.3043      -79.0  
1 1 1 24 19 10 o -0.1575000     1.163000      227.3896      -58.5  
1 1 1 24 19 11 o 6.024000       1.203000      269.1171      -44.1  
1 1 1 24 19 12 o 8.088000       1.219000      507.5921      136.4  
1 1 1 24 19 13 o 9.491000       1.231000      448.5717      -104.4 
1 1 1 24 19 14 o 50.71000       1.950000      925.3554      -24.6  
1 1 1 24 19 15 o 38.02000       1.563000      783.8439      172.6  
1 1 1 24 19 16 o 31.85000       1.586000      870.8615      123.6  
1 1 1 24 19 17 o 4.572000       1.207000      291.9379      -28.9  
1 1 1 24 19 18 o 18.27000       1.430000      608.0175      65.2   
1 1 1 24 19 19 o 20.00000       1.371000      712.3540      -109.3 
1 1 1 24 19 20 o 20.85000       1.387000      674.9591      123.2  
1 1 1 24 19 21 o 5.200000       1.220000      360.6313      8.3    
1 1 1 24 19 22 o -0.8550000     1.206000      45.42065      -126.8 
1 1 1 24 19 23 o 2.319000       1.027000      207.7984      46.2   
1 1 1 24 19 24 o 4.714000       1.117000      192.6823      -176.0 
1 1 1 24 19 25 o 4.687000       1.049000      215.1661      -108.8 
1 1 1 24 19 26 o 4.614000       1.095000      273.6144      164.0  
1 1 1 24 19 27 o 1.913000       1.119000      162.3697      -179.7 
1 1 1 24 19 28 o 20.24000       1.362000      562.5928      -107.0 
1 1 1 24 19 29 o 19.57000       1.358000      560.3193      -144.9 
1 1 1 24 19 30 o 20.43000       1.337000      696.8769      141.4  
1 1 1 24 19 31 o 5.499000       1.105000      203.8272      -80.4  
1 1 1 24 19 32 o 5.034000       1.113000      316.8926      -96.0  
1 1 1 24 19 33 o 19.49000       1.247000      645.7120      -44.5  
1 1 1 24 19 34 o 25.95000       1.380000      639.8980      -11.2  
1 1 1 24 19 35 o 30.82000       1.441000      806.7430      -84.2  
1 1 1 24 19 36 o 2.956000       1.168000      219.6819      126.5  
1 1 1 24 19 37 o 26.38000       1.405000      699.0361      65.8   
1 1 1 24 19 38 o -0.6332000     1.175000      9.082437      47.7   
1 1 1 24 19 39 o 11.57000       1.276000      523.3900      165.0  
1 1 1 24 19 40 o 24.42000       1.447000      672.5505      -136.1 
1 1 1 24 19 41 f 4.725000       1.288000      133.4054      130.7  
1 1 1 24 19 42 o 18.54000       1.601000      483.9500      -53.9  
1 1 1 24 19 43 o 2.350000       1.479000      211.7083      -157.4 
1 1 1 24 19 44 o -0.2674000     1.420000      109.5633      0.6    
1 1 1 24 19 45 o 3.925000       1.431000      157.0136      -91.6  
1 1 1 24 19 46 o 5.265000       1.482000      431.0594      123.6  
1 1 1 24 19 47 o 10.72000       2.221000      474.8896      169.7  
1 1 1 24 19 48 o -0.3094000     1.824000      ?             ?      
1 1 1 24 19 49 o 1.815000       1.366000      ?             ?      
1 1 1 24 19 50 o 6.631000       1.285000      ?             ?      
1 1 1 24 19 51 o 0.8483000      1.221000      ?             ?      
1 1 1 24 19 52 o -1.498000      1.189000      ?             ?      
1 1 1 24 19 53 o 0.5127000      1.187000      ?             ?      
1 1 1 24 19 54 o 1.107000       1.181000      ?             ?      
1 1 1 24 19 55 o -0.7058000     1.177000      ?             ?      
1 1 1 24 19 56 o 0.7661000      1.192000      ?             ?      
1 1 1 24 19 57 o 6.358000       1.256000      ?             ?      
1 1 1 24 19 58 o -2.327000      1.207000      ?             ?      
1 1 1 24 19 59 o 4.826000       1.230000      ?             ?      
1 1 1 24 19 60 o 0.3086000      1.224000      ?             ?      
1 1 1 24 19 61 o 1.033000       1.354000      ?             ?      
1 1 1 24 19 62 o 0.9331000      1.631000      ?             ?      
1 1 1 24 19 63 o -1.462000      2.165000      ?             ?      
1 1 1 24 19 64 o -0.8199000E-01 1.658000      ?             ?      
1 1 1 24 19 65 o 1.545000       1.408000      ?             ?      
1 1 1 24 19 66 o 1.607000       1.556000      ?             ?      
1 1 1 24 20 0  o 9.166000       2.110000      540.3480      0.0    
1 1 1 24 20 1  o 9.296000       1.399000      809.0051      -59.6  
1 1 1 24 20 2  o 8.513000       1.190000      577.7298      6.6    
1 1 1 24 20 3  o 1.420000       1.269000      325.9449      -179.1 
1 1 1 24 20 4  o 21.52000       1.567000      603.7709      -121.3 
1 1 1 24 20 5  o 11.17000       1.196000      500.2695      123.8  
1 1 1 24 20 6  o 6.191000       1.151000      488.5155      61.3   
1 1 1 24 20 7  o 22.37000       1.298000      571.1043      -96.0  
1 1 1 24 20 8  o 9.570000       1.172000      177.1622      -0.2   
1 1 1 24 20 9  o 4.440000       1.342000      328.5066      -77.6  
1 1 1 24 20 10 o 29.08000       2.321000      518.1124      67.5   
1 1 1 24 20 11 o 11.68000       1.263000      414.7854      -110.3 
1 1 1 24 20 12 o 0.8035000      1.202000      250.5500      75.5   
1 1 1 24 20 13 o 9.857000       1.251000      807.4723      -23.4  
1 1 1 24 20 14 o 14.11000       1.316000      455.6487      -73.1  
1 1 1 24 20 15 o 0.4907000E-01  1.176000      135.3027      -98.7  
1 1 1 24 20 16 o 12.63000       1.256000      435.3441      -22.6  
1 1 1 24 20 17 o 5.909000       1.216000      483.0189      -154.1 
1 1 1 24 20 18 o 32.28000       1.787000      878.1344      -151.0 
1 1 1 24 20 19 o 5.274000       1.321000      253.4114      155.0  
1 1 1 24 20 20 o 134.2000       3.750000      1453.637      32.7   
1 1 1 24 20 21 o -0.1209000     1.204000      73.68295      -81.0  
1 1 1 24 20 22 o 16.48000       1.317000      634.3481      -177.6 
1 1 1 24 20 23 o 4.625000       1.070000      343.2953      96.5   
1 1 1 24 20 24 o 2.423000       1.055000      301.5336      166.8  
1 1 1 24 20 25 o 10.41000       1.116000      351.3871      101.0  
1 1 1 24 20 26 o 20.99000       1.276000      651.0753      56.2   
1 1 1 24 20 27 o 4.789000       1.212000      276.8773      -57.6  
1 1 1 24 20 28 o 37.52000       1.696000      852.6226      -111.6 
1 1 1 24 20 29 o 0.8935000      1.132000      170.0549      -89.7  
1 1 1 24 20 30 o 0.2551000      1.045000      157.9397      -51.7  
1 1 1 24 20 31 o 10.13000       1.106000      436.0455      56.9   
1 1 1 24 20 32 o 4.015000       1.074000      307.8465      165.0  
1 1 1 24 20 33 o 6.293000       1.109000      167.8322      -37.0  
1 1 1 24 20 34 o 10.36000       1.159000      367.2196      26.9   
1 1 1 24 20 35 o 20.36000       1.310000      595.9315      177.3  
1 1 1 24 20 36 o -1.343000      1.161000      223.1488      60.2   
1 1 1 24 20 37 o 9.589000       1.236000      378.6274      -102.8 
1 1 1 24 20 38 o 7.510000       1.216000      341.9745      138.1  
1 1 1 24 20 39 o 0.7149000      1.207000      80.05167      -114.2 
1 1 1 24 20 40 o 23.62000       1.438000      650.6422      40.2   
1 1 1 24 20 41 o 6.714000       1.268000      295.3393      21.1   
1 1 1 24 20 42 o 6.075000       1.315000      280.8229      -63.9  
1 1 1 24 20 43 o 1.906000       1.446000      264.3830      101.1  
1 1 1 24 20 44 o 2.605000       1.587000      225.3366      -9.1   
1 1 1 24 20 45 o 1.439000       1.403000      230.1827      2.0    
1 1 1 24 20 46 o 0.1810000E-01  1.437000      256.5100      -99.4  
1 1 1 24 20 47 o 5.462000       2.110000      294.7666      169.9  
1 1 1 24 20 48 o 4.828000       1.656000      ?             ?      
1 1 1 24 20 49 o 1.438000       1.370000      ?             ?      
1 1 1 24 20 50 o 6.857000       1.381000      ?             ?      
1 1 1 24 20 51 o 2.350000       1.228000      ?             ?      
1 1 1 24 20 52 o 1.068000       1.208000      ?             ?      
1 1 1 24 20 53 o 1.257000       1.196000      ?             ?      
1 1 1 24 20 54 o -0.5247000     1.247000      ?             ?      
1 1 1 24 20 55 o 0.9039000E-01  1.189000      ?             ?      
1 1 1 24 20 56 o 5.213000       1.223000      ?             ?      
1 1 1 24 20 57 o 6.296000       1.234000      ?             ?      
1 1 1 24 20 58 o 0.3959000      1.204000      ?             ?      
1 1 1 24 20 59 f 4.225000       1.261000      ?             ?      
1 1 1 24 20 60 o 0.9112000      1.236000      ?             ?      
1 1 1 24 20 61 o 4.826000       1.441000      ?             ?      
1 1 1 24 20 62 o 0.2693000      1.663000      ?             ?      
1 1 1 24 20 63 o -2.949000      1.816000      ?             ?      
1 1 1 24 20 64 o 2.028000       1.411000      ?             ?      
1 1 1 24 20 65 o 0.1799000      1.523000      ?             ?      
1 1 1 24 21 0  o 56.02000       2.469000      968.1042      180.0  
1 1 1 24 21 1  o 0.6627000      1.112000      332.2835      133.9  
1 1 1 24 21 2  o 9.564000       1.223000      460.8496      -61.3  
1 1 1 24 21 3  o 20.37000       1.355000      592.0301      -12.8  
1 1 1 24 21 4  f 10.72000       1.251000      506.0269      -179.3 
1 1 1 24 21 5  o -0.8341000     1.176000      111.9789      -78.8  
1 1 1 24 21 6  o 7.303000       1.601000      403.6898      13.9   
1 1 1 24 21 7  o 1.798000       1.331000      154.7903      -43.3  
1 1 1 24 21 8  o 7.673000       1.142000      445.3336      -138.2 
1 1 1 24 21 9  o 9.644000       1.169000      311.8640      -26.9  
1 1 1 24 21 10 o 61.90000       1.848000      1122.402      17.5   
1 1 1 24 21 11 o 40.25000       1.616000      772.6583      -146.9 
1 1 1 24 21 12 o 4.955000       1.532000      471.7127      17.8   
1 1 1 24 21 13 o 25.33000       1.669000      614.8952      -37.3  
1 1 1 24 21 14 f 8.573000       1.246000      683.1979      57.8   
1 1 1 24 21 15 o 16.83000       1.322000      610.6560      144.6  
1 1 1 24 21 16 o 4.574000       1.252000      281.9427      13.2   
1 1 1 24 21 17 o 26.59000       1.431000      661.4803      -53.8  
1 1 1 24 21 18 o 7.162000       1.221000      344.9935      66.2   
1 1 1 24 21 19 o 15.53000       1.399000      715.8336      178.4  
1 1 1 24 21 20 o 7.594000       1.299000      627.7243      121.3  
1 1 1 24 21 21 o 15.90000       1.323000      433.3796      -42.7  
1 1 1 24 21 22 o 5.624000       1.213000      403.2271      -138.2 
1 1 1 24 21 23 o 1.559000       1.219000      220.6580      32.2   
1 1 1 24 21 24 o 9.637000       1.100000      387.4805      -176.7 
1 1 1 24 21 25 o 0.9138000      1.108000      124.3262      -60.6  
1 1 1 24 21 26 o 7.605000       1.208000      349.0696      42.3   
1 1 1 24 21 27 o 5.298000       1.147000      358.8220      -31.0  
1 1 1 24 21 28 o 0.6205000      1.280000      144.6539      -145.2 
1 1 1 24 21 29 o 10.54000       1.188000      429.1064      111.0  
1 1 1 24 21 30 o 12.63000       1.134000      438.8968      110.2  
1 1 1 24 21 31 o 3.780000       1.075000      287.2763      109.2  
1 1 1 24 21 32 o 1.607000       1.053000      70.08672      75.8   
1 1 1 24 21 33 o 19.40000       1.214000      541.1382      -32.6  
1 1 1 24 21 34 o 15.52000       1.238000      383.4282      -10.4  
1 1 1 24 21 35 o 6.483000       1.159000      361.0612      -107.9 
1 1 1 24 21 36 o 13.83000       1.284000      423.7812      91.2   
1 1 1 24 21 37 o 11.22000       1.258000      344.3546      -138.2 
1 1 1 24 21 38 o -1.413000      1.199000      135.4839      72.5   
1 1 1 24 21 39 o 52.51000       1.800000      1044.570      164.1  
1 1 1 24 21 40 o 0.4214000      1.229000      28.91836      -146.4 
1 1 1 24 21 41 o 4.142000       1.237000      147.6944      -86.7  
1 1 1 24 21 42 o 0.6105000      1.254000      150.9938      -153.0 
1 1 1 24 21 43 o 11.78000       1.528000      468.3453      124.8  
1 1 1 24 21 44 o 12.57000       1.662000      413.4706      -56.8  
1 1 1 24 21 45 o 5.527000       1.480000      402.5965      -8.8   
1 1 1 24 21 46 o 5.251000       1.890000      386.0908      146.0  
1 1 1 24 21 47 o -0.3155000     1.393000      ?             ?      
1 1 1 24 21 48 o 0.6828000      1.358000      ?             ?      
1 1 1 24 21 49 o 0.5185000      1.442000      ?             ?      
1 1 1 24 21 50 o 12.37000       1.429000      ?             ?      
1 1 1 24 21 51 o 4.057000       1.245000      ?             ?      
1 1 1 24 21 52 o 3.802000       1.221000      ?             ?      
1 1 1 24 21 53 o 1.992000       1.200000      ?             ?      
1 1 1 24 21 54 o 2.141000       1.206000      ?             ?      
1 1 1 24 21 55 o 1.110000       1.188000      ?             ?      
1 1 1 24 21 56 o 0.4059000      1.199000      ?             ?      
1 1 1 24 21 57 o 3.182000       1.232000      ?             ?      
1 1 1 24 21 58 o 0.2428000      1.210000      ?             ?      
1 1 1 24 21 59 o 9.432000       1.308000      ?             ?      
1 1 1 24 21 60 o 1.397000       1.235000      ?             ?      
1 1 1 24 21 61 o -1.010000      1.397000      ?             ?      
1 1 1 24 21 62 o -0.4061000     1.682000      ?             ?      
1 1 1 24 21 63 o 0.9149000      2.316000      ?             ?      
1 1 1 24 21 64 o 2.144000       1.500000      ?             ?      
1 1 1 24 21 65 o 2.235000       1.443000      ?             ?      
1 1 1 24 22 0  o 25.75000       1.863000      725.9953      -0.0   
1 1 1 24 22 1  o 28.22000       1.346000      810.9772      -84.7  
1 1 1 24 22 2  o 0.5892000      1.045000      194.9889      -63.1  
1 1 1 24 22 3  o 9.465000       1.072000      357.7658      -77.2  
1 1 1 24 22 4  o 0.1900000      1.152000      344.9963      -36.2  
1 1 1 24 22 5  o 5.454000       1.230000      355.8956      38.1   
1 1 1 24 22 6  o 20.43000       1.309000      851.1885      29.2   
1 1 1 24 22 7  o 12.46000       1.186000      502.5290      -83.3  
1 1 1 24 22 8  o 6.923000       1.469000      377.3594      -37.3  
1 1 1 24 22 9  o 8.604000       1.504000      332.4978      107.9  
1 1 1 24 22 10 o 2.277000       1.161000      255.6214      -87.6  
1 1 1 24 22 11 o 6.455000       1.243000      348.6705      -95.6  
1 1 1 24 22 12 o 24.18000       1.403000      589.1635      -54.2  
1 1 1 24 22 13 o 15.68000       1.309000      763.0765      160.9  
1 1 1 24 22 14 o 0.5210000E-01  1.170000      62.89559      87.4   
1 1 1 24 22 15 o -1.641000      1.394000      91.63483      -27.4  
1 1 1 24 22 16 o 16.93000       1.551000      459.0036      14.1   
1 1 1 24 22 17 o 34.92000       1.547000      767.5573      -166.7 
1 1 1 24 22 18 o 12.59000       1.306000      654.8322      -111.1 
1 1 1 24 22 19 o 23.56000       1.479000      748.7770      104.7  
1 1 1 24 22 20 o 37.97000       1.912000      928.0977      13.3   
1 1 1 24 22 21 o 11.87000       1.300000      552.4433      -177.1 
1 1 1 24 22 22 o 17.86000       1.338000      600.8140      163.8  
1 1 1 24 22 23 o 0.7625000      1.196000      51.23293      47.1   
1 1 1 24 22 24 o 22.84000       1.588000      828.2416      50.4   
1 1 1 24 22 25 o 2.196000       1.095000      97.42090      -53.5  
1 1 1 24 22 26 o 2.572000       1.207000      469.7188      131.6  
1 1 1 24 22 27 o 34.93000       1.745000      808.2914      -104.6 
1 1 1 24 22 28 o 6.369000       1.107000      406.1573      -156.9 
1 1 1 24 22 29 o 2.163000       1.056000      261.3555      110.5  
1 1 1 24 22 30 o 2.361000       1.054000      303.5474      167.9  
1 1 1 24 22 31 o 10.68000       1.116000      453.0656      85.2   
1 1 1 24 22 32 o 10.93000       1.089000      509.1759      108.8  
1 1 1 24 22 33 o 4.049000       1.061000      325.2737      -21.6  
1 1 1 24 22 34 o 1.260000       1.082000      36.64009      63.0   
1 1 1 24 22 35 o 6.715000       1.164000      284.4320      130.4  
1 1 1 24 22 36 o 29.47000       1.416000      571.0933      29.1   
1 1 1 24 22 37 o 19.80000       1.361000      688.6628      -123.1 
1 1 1 24 22 38 o 2.496000       1.222000      227.8826      -57.9  
1 1 1 24 22 39 o 2.419000       1.241000      163.6701      29.4   
1 1 1 24 22 40 o 2.250000       1.225000      137.2024      111.4  
1 1 1 24 22 41 o 4.673000       1.252000      284.9728      -111.8 
1 1 1 24 22 42 o 1.530000       1.264000      274.7036      -25.8  
1 1 1 24 22 43 o 20.52000       1.618000      507.6676      53.1   
1 1 1 24 22 44 o -0.5029000     1.424000      91.61037      -127.0 
1 1 1 24 22 45 o 2.272000       1.761000      179.1887      100.6  
1 1 1 24 22 46 o 2.394000       1.847000      130.8702      -132.0 
1 1 1 24 22 47 o 3.089000       1.290000      ?             ?      
1 1 1 24 22 48 o -1.018000      1.323000      ?             ?      
1 1 1 24 22 49 o -0.3704000     1.353000      ?             ?      
1 1 1 24 22 50 o 6.654000       1.486000      ?             ?      
1 1 1 24 22 51 o 4.205000       1.336000      ?             ?      
1 1 1 24 22 52 o 8.608000       1.257000      ?             ?      
1 1 1 24 22 53 o -1.937000      1.188000      ?             ?      
1 1 1 24 22 54 o -1.115000      1.184000      ?             ?      
1 1 1 24 22 55 o -0.7808000     1.180000      ?             ?      
1 1 1 24 22 56 o 2.093000       1.215000      ?             ?      
1 1 1 24 22 57 o 9.601000       1.352000      ?             ?      
1 1 1 24 22 58 o 0.5724000      1.225000      ?             ?      
1 1 1 24 22 59 o 0.1038000      1.237000      ?             ?      
1 1 1 24 22 60 o 5.042000       1.365000      ?             ?      
1 1 1 24 22 61 o -0.5038000     1.556000      ?             ?      
1 1 1 24 22 62 o -1.598000      1.562000      ?             ?      
1 1 1 24 22 63 o 0.8958000      1.542000      ?             ?      
1 1 1 24 22 64 o 3.187000       1.423000      ?             ?      
1 1 1 24 22 65 o -0.2789000     1.700000      ?             ?      
1 1 1 24 23 0  o 1.104000       1.541000      86.38614      -180.0 
1 1 1 24 23 1  o 2.982000       1.059000      331.2462      105.6  
1 1 1 24 23 2  o 6.799000       1.077000      497.2917      177.2  
1 1 1 24 23 3  o 1.220000       1.122000      86.74669      -146.3 
1 1 1 24 23 4  o -0.5609000     1.008000      140.1962      -59.2  
1 1 1 24 23 5  o 11.41000       1.219000      700.5377      56.3   
1 1 1 24 23 6  o 13.41000       1.244000      550.3208      22.4   
1 1 1 24 23 7  o 0.2962000      1.226000      173.3486      -150.7 
1 1 1 24 23 8  o 15.55000       1.296000      492.7374      -63.1  
1 1 1 24 23 9  o -0.4872000     1.122000      109.3566      110.1  
1 1 1 24 23 10 o 8.748000       1.241000      672.3270      -39.9  
1 1 1 24 23 11 o 5.033000       1.510000      402.2321      -70.4  
1 1 1 24 23 12 o 7.405000       1.243000      283.0610      -42.0  
1 1 1 24 23 13 o 4.374000       1.221000      290.1682      103.9  
1 1 1 24 23 14 o -0.4337000     1.181000      225.2659      87.9   
1 1 1 24 23 15 o 19.70000       1.349000      569.5245      -163.6 
1 1 1 24 23 16 o 20.11000       1.353000      717.8619      -44.0  
1 1 1 24 23 17 o 8.247000       1.276000      424.2831      -133.9 
1 1 1 24 23 18 o 7.695000       1.437000      482.7581      -166.3 
1 1 1 24 23 19 o 20.61000       1.588000      625.9352      147.0  
1 1 1 24 23 20 o 18.51000       1.363000      613.0537      140.8  
1 1 1 24 23 21 f -0.2368000E-02 1.342000      214.9682      86.2   
1 1 1 24 23 22 o 6.727000       1.281000      419.8874      -143.5 
1 1 1 24 23 23 o 5.520000       1.214000      386.1176      25.9   
1 1 1 24 23 24 o -1.994000      1.269000      180.1757      -46.3  
1 1 1 24 23 25 o 18.24000       1.532000      538.0662      120.3  
1 1 1 24 23 26 o 0.9789000      1.154000      73.86583      3.4    
1 1 1 24 23 27 o 4.551000       1.169000      394.5298      -68.6  
1 1 1 24 23 28 o 5.272000       1.116000      260.0664      106.0  
1 1 1 24 23 29 o 21.31000       1.245000      602.7779      135.6  
1 1 1 24 23 30 o 2.272000       1.045000      346.9372      33.1   
1 1 1 24 23 31 o 8.868000       1.081000      429.5896      54.3   
1 1 1 24 23 32 o 0.9827000      1.032000      158.4764      141.6  
1 1 1 24 23 33 o 3.606000       1.054000      187.3368      -64.4  
1 1 1 24 23 34 o 6.750000       1.090000      337.1081      -5.3   
1 1 1 24 23 35 o 13.87000       1.197000      383.1214      153.3  
1 1 1 24 23 36 o -0.5635000     1.138000      274.1819      60.2   
1 1 1 24 23 37 o -0.7701000     1.158000      223.9828      171.2  
1 1 1 24 23 38 o 2.317000       1.218000      298.8713      103.4  
1 1 1 24 23 39 o 11.09000       1.275000      593.4937      162.3  
1 1 1 24 23 40 o 15.41000       1.330000      570.5836      -86.1  
1 1 1 24 23 41 o 5.793000       1.275000      326.2590      140.0  
1 1 1 24 23 42 o 2.487000       1.260000      222.7785      -133.4 
1 1 1 24 23 43 o 2.072000       1.268000      98.42093      -93.2  
1 1 1 24 23 44 o 2.500000       1.548000      252.9426      -137.4 
1 1 1 24 23 45 o 1.966000       2.028000      233.7667      -21.5  
1 1 1 24 23 46 o 0.3213000      1.533000      ?             ?      
1 1 1 24 23 47 o 1.785000       1.227000      ?             ?      
1 1 1 24 23 48 o 0.3367000      1.198000      ?             ?      
1 1 1 24 23 49 o 18.33000       1.489000      ?             ?      
1 1 1 24 23 50 o 3.880000       1.428000      ?             ?      
1 1 1 24 23 51 o 1.728000       1.298000      ?             ?      
1 1 1 24 23 52 o 2.781000       1.213000      ?             ?      
1 1 1 24 23 53 o -0.7663000E-01 1.180000      ?             ?      
1 1 1 24 23 54 o 0.2388000      1.170000      ?             ?      
1 1 1 24 23 55 o 1.316000       1.195000      ?             ?      
1 1 1 24 23 56 o 8.531000       1.285000      ?             ?      
1 1 1 24 23 57 o 1.828000       1.215000      ?             ?      
1 1 1 24 23 58 o 1.251000       1.213000      ?             ?      
1 1 1 24 23 59 o 2.027000       1.239000      ?             ?      
1 1 1 24 23 60 o -0.7571000E-01 1.542000      ?             ?      
1 1 1 24 23 61 o -1.702000      1.620000      ?             ?      
1 1 1 24 23 62 o -1.050000      1.879000      ?             ?      
1 1 1 24 23 63 o 3.117000       1.457000      ?             ?      
1 1 1 24 23 64 o 0.4812000      2.243000      ?             ?      
1 1 1 24 24 0  o 22.83000       1.794000      912.4553      0.0    
1 1 1 24 24 1  o 44.28000       1.511000      1028.212      -83.0  
1 1 1 24 24 2  o 2.983000       1.006000      204.3924      129.6  
1 1 1 24 24 3  o 1.991000       1.007000      201.0914      148.5  
1 1 1 24 24 4  o 3.424000       1.049000      270.8827      82.3   
1 1 1 24 24 5  o 35.68000       1.597000      844.3292      18.1   
1 1 1 24 24 6  o -0.7363000     1.144000      195.5352      -172.2 
1 1 1 24 24 7  o 1.283000       1.069000      198.6627      -49.0  
1 1 1 24 24 8  o -1.283000      1.079000      42.64867      -171.9 
1 1 1 24 24 9  o 7.117000       1.152000      467.5717      56.0   
1 1 1 24 24 10 o 22.25000       1.511000      843.2679      -69.1  
1 1 1 24 24 11 o -0.6752000     1.210000      66.65410      24.0   
1 1 1 24 24 12 o 3.271000       1.172000      224.1065      -144.8 
1 1 1 24 24 13 o -1.362000      1.163000      130.7718      132.5  
1 1 1 24 24 14 o 7.013000       1.518000      501.4113      -32.0  
1 1 1 24 24 15 o 3.121000       1.466000      275.7334      170.1  
1 1 1 24 24 16 o 6.206000       1.235000      496.3845      -76.4  
1 1 1 24 24 17 o 3.125000       1.187000      330.2950      149.8  
1 1 1 24 24 18 o 0.2662000      1.167000      280.8752      -26.4  
1 1 1 24 24 19 o 2.122000       1.192000      250.1447      148.0  
1 1 1 24 24 20 o 0.8098000      1.219000      231.4867      73.9   
1 1 1 24 24 21 o 4.453000       1.415000      345.8210      -159.2 
1 1 1 24 24 22 o -3.460000      1.461000      90.22691      8.5    
1 1 1 24 24 23 o 5.565000       1.334000      244.1982      -93.4  
1 1 1 24 24 24 o 0.5655000      1.284000      223.2826      50.1   
1 1 1 24 24 25 o 5.534000       1.453000      289.2851      -137.4 
1 1 1 24 24 26 o 4.240000       1.249000      259.8281      -179.7 
1 1 1 24 24 27 o 18.42000       1.364000      627.8954      -114.3 
1 1 1 24 24 28 o 9.089000       1.098000      534.1982      124.1  
1 1 1 24 24 29 o 6.761000       1.059000      457.4676      65.5   
1 1 1 24 24 30 o 8.643000       1.050000      426.2773      167.6  
1 1 1 24 24 31 o 3.003000       1.025000      339.8163      94.8   
1 1 1 24 24 32 o 4.074000       1.056000      300.8542      176.4  
1 1 1 24 24 33 o 1.103000       1.061000      169.0302      -114.5 
1 1 1 24 24 34 o 0.3495000      1.047000      130.9719      9.7    
1 1 1 24 24 35 o 5.013000       1.094000      422.5277      55.5   
1 1 1 24 24 36 o 8.103000       1.151000      514.0259      -122.0 
1 1 1 24 24 37 o 1.035000       1.146000      175.9241      -66.7  
1 1 1 24 24 38 o 5.998000       1.166000      403.6365      -57.7  
1 1 1 24 24 39 o 10.32000       1.236000      467.4834      21.7   
1 1 1 24 24 40 o 2.320000       1.202000      248.0423      -49.1  
1 1 1 24 24 41 o 5.944000       1.265000      501.2925      -35.6  
1 1 1 24 24 42 o 3.499000       1.276000      384.1449      -5.2   
1 1 1 24 24 43 o 2.086000       1.226000      129.0483      58.1   
1 1 1 24 24 44 o -1.254000      1.578000      29.99342      -29.2  
1 1 1 24 24 45 o 2.598000       2.115000      ?             ?      
1 1 1 24 24 46 o -0.6626000     1.379000      ?             ?      
1 1 1 24 24 47 o 3.758000       1.323000      ?             ?      
1 1 1 24 24 48 o 2.247000       1.200000      ?             ?      
1 1 1 24 24 49 o 0.8153000      1.218000      ?             ?      
1 1 1 24 24 50 o 0.3958000      1.275000      ?             ?      
1 1 1 24 24 51 o 0.9775000      1.372000      ?             ?      
1 1 1 24 24 52 o 0.4648000E-02  1.274000      ?             ?      
1 1 1 24 24 53 o 2.351000       1.189000      ?             ?      
1 1 1 24 24 54 o 0.9739000      1.183000      ?             ?      
1 1 1 24 24 55 o 0.3134000      1.197000      ?             ?      
1 1 1 24 24 56 o 1.829000       1.220000      ?             ?      
1 1 1 24 24 57 o 0.7454000      1.303000      ?             ?      
1 1 1 24 24 58 o 1.421000       1.331000      ?             ?      
1 1 1 24 24 59 o -0.8734000     1.386000      ?             ?      
1 1 1 24 24 60 o 1.149000       1.578000      ?             ?      
1 1 1 24 24 61 o 0.4942000      1.883000      ?             ?      
1 1 1 24 24 62 o 1.651000       1.270000      ?             ?      
1 1 1 24 24 63 o -1.173000      1.287000      ?             ?      
1 1 1 24 24 64 o -1.937000      1.856000      ?             ?      
1 1 1 24 25 0  o 0.9422000      1.465000      142.2044      180.0  
1 1 1 24 25 1  o 3.053000       1.010000      377.4605      121.0  
1 1 1 24 25 2  o 3.164000       0.9859000     365.9582      -96.0  
1 1 1 24 25 3  o 2.241000       1.029000      162.4582      -165.6 
1 1 1 24 25 4  o 2.201000       1.018000      258.2810      -32.3  
1 1 1 24 25 5  o 10.93000       1.296000      559.9232      -138.1 
1 1 1 24 25 6  o 1.985000       1.143000      132.9912      78.0   
1 1 1 24 25 7  o 0.6668000      1.130000      187.7121      -64.8  
1 1 1 24 25 8  o -0.5454000     1.065000      113.9672      116.4  
1 1 1 24 25 9  o 13.97000       1.204000      460.2957      78.1   
1 1 1 24 25 10 o 8.916000       1.247000      542.7703      -9.9   
1 1 1 24 25 11 o 6.486000       1.186000      284.0949      -30.1  
1 1 1 24 25 12 o 9.793000       1.263000      377.7790      -128.5 
1 1 1 24 25 13 o -0.7168000     1.257000      33.34029      -67.1  
1 1 1 24 25 14 o 11.83000       1.323000      455.1596      -80.1  
1 1 1 24 25 15 o -1.166000      1.186000      58.46546      -57.4  
1 1 1 24 25 16 o 12.04000       1.289000      423.5587      -125.2 
1 1 1 24 25 17 o 0.3936000      1.357000      222.5104      130.4  
1 1 1 24 25 18 o 4.832000       1.386000      438.3295      164.5  
1 1 1 24 25 19 o 5.461000       1.207000      435.5909      117.1  
1 1 1 24 25 20 o 11.04000       1.266000      605.1153      -173.8 
1 1 1 24 25 21 o 4.528000       1.179000      287.7037      176.1  
1 1 1 24 25 22 o 0.7527000      1.202000      115.1680      -39.5  
1 1 1 24 25 23 o 11.11000       1.860000      530.2321      41.2   
1 1 1 24 25 24 o 6.075000       1.690000      276.6817      -8.2   
1 1 1 24 25 25 o 4.611000       1.490000      454.3759      134.4  
1 1 1 24 25 26 o 13.36000       1.486000      471.1525      -96.9  
1 1 1 24 25 27 o 0.4376000      1.125000      126.7637      63.0   
1 1 1 24 25 28 o 0.3136000      1.030000      357.6993      137.1  
1 1 1 24 25 29 o 2.543000       0.9983000     50.59093      105.8  
1 1 1 24 25 30 o 6.204000       1.017000      308.6716      10.5   
1 1 1 24 25 31 o 3.508000       0.9978000     162.4077      -49.7  
1 1 1 24 25 32 o 9.963000       1.092000      433.7807      -142.8 
1 1 1 24 25 33 o 5.791000       1.071000      289.2278      -72.3  
1 1 1 24 25 34 o 1.216000       1.058000      141.1724      62.7   
1 1 1 24 25 35 o 14.01000       1.206000      471.5580      24.2   
1 1 1 24 25 36 o 0.5099000      1.079000      46.34580      141.6  
1 1 1 24 25 37 o 2.615000       1.108000      195.2079      33.4   
1 1 1 24 25 38 o 8.070000       1.158000      437.5315      111.3  
1 1 1 24 25 39 o 0.4974000      1.120000      266.3812      125.1  
1 1 1 24 25 40 o 6.930000       1.242000      478.5932      58.8   
1 1 1 24 25 41 o 10.12000       1.295000      516.2834      67.2   
1 1 1 24 25 42 o 12.33000       1.319000      529.4612      -109.1 
1 1 1 24 25 43 o 0.6386000      1.245000      235.1445      19.8   
1 1 1 24 25 44 o 1.280000       1.698000      224.9349      -141.1 
1 1 1 24 25 45 o -1.272000      1.609000      ?             ?      
1 1 1 24 25 46 o 2.011000       1.656000      ?             ?      
1 1 1 24 25 47 o 1.143000       1.288000      ?             ?      
1 1 1 24 25 48 o -0.8387000     1.176000      ?             ?      
1 1 1 24 25 49 o -0.2577000     1.175000      ?             ?      
1 1 1 24 25 50 f 0.9464000      1.269000      ?             ?      
1 1 1 24 25 51 o 3.251000       1.285000      ?             ?      
1 1 1 24 25 52 o 1.002000       1.291000      ?             ?      
1 1 1 24 25 53 o -0.5112000     1.193000      ?             ?      
1 1 1 24 25 54 o 1.478000       1.186000      ?             ?      
1 1 1 24 25 55 o 0.5197000      1.297000      ?             ?      
1 1 1 24 25 56 o 8.452000       1.378000      ?             ?      
1 1 1 24 25 57 o 3.756000       1.327000      ?             ?      
1 1 1 24 25 58 o 2.177000       1.334000      ?             ?      
1 1 1 24 25 59 o -0.4775000     1.354000      ?             ?      
1 1 1 24 25 60 o -0.6964000     1.557000      ?             ?      
1 1 1 24 25 61 o 0.4266000      1.315000      ?             ?      
1 1 1 24 25 62 o 2.224000       1.372000      ?             ?      
1 1 1 24 25 63 o -2.508000      1.797000      ?             ?      
1 1 1 24 26 0  o 11.61000       1.419000      554.1231      0.0    
1 1 1 24 26 1  o 4.074000       0.9944000     389.5842      -110.6 
1 1 1 24 26 2  o 0.9300000      0.9726000     186.0414      -105.0 
1 1 1 24 26 3  o 2.954000       0.9764000     312.5312      54.9   
1 1 1 24 26 4  o 2.071000       1.002000      203.3925      -49.6  
1 1 1 24 26 5  o 10.94000       1.256000      482.1617      40.4   
1 1 1 24 26 6  o 3.144000       1.131000      115.6872      -168.5 
1 1 1 24 26 7  o 2.995000       1.113000      281.7250      152.3  
1 1 1 24 26 8  o 4.068000       1.154000      283.0046      56.0   
1 1 1 24 26 9  o 0.6165000      1.098000      277.3962      -46.1  
1 1 1 24 26 10 o -0.8464000     1.133000      103.1167      100.0  
1 1 1 24 26 11 o 9.883000       1.234000      309.6040      22.5   
1 1 1 24 26 12 o -0.8097000     1.185000      147.0841      77.9   
1 1 1 24 26 13 o 21.60000       1.484000      549.6113      -7.5   
1 1 1 24 26 14 o -1.264000      1.177000      219.4160      47.1   
1 1 1 24 26 15 o 4.263000       1.199000      234.9143      -135.0 
1 1 1 24 26 16 o -0.5380000     1.210000      207.2083      -122.5 
1 1 1 24 26 17 o 3.452000       1.233000      367.2516      -23.2  
1 1 1 24 26 18 o 3.499000       1.177000      210.0076      -7.7   
1 1 1 24 26 19 o 1.172000       1.187000      296.9030      -90.3  
1 1 1 24 26 20 o 4.127000       1.383000      348.0370      63.8   
1 1 1 24 26 21 o 0.4046000      1.358000      259.3372      -129.3 
1 1 1 24 26 22 o 3.169000       1.365000      346.8863      167.6  
1 1 1 24 26 23 o 3.310000       1.454000      252.2859      173.8  
1 1 1 24 26 24 o 5.939000       1.463000      307.3762      47.2   
1 1 1 24 26 25 o 2.208000       1.390000      168.7194      -50.3  
1 1 1 24 26 26 o 1.680000       1.327000      292.7474      -164.8 
1 1 1 24 26 27 o 0.9975000E-01  1.245000      277.3399      -99.0  
1 1 1 24 26 28 o 3.258000       1.009000      340.6708      53.0   
1 1 1 24 26 29 o -0.9871000E-01 0.9874000     199.2613      -72.3  
1 1 1 24 26 30 o 4.678000       1.047000      330.0755      -80.9  
1 1 1 24 26 31 o -0.8924000E-01 1.025000      134.3477      -10.3  
1 1 1 24 26 32 o 0.7772000      1.020000      116.7455      -141.0 
1 1 1 24 26 33 o 6.468000       1.083000      411.8945      34.5   
1 1 1 24 26 34 o 7.512000       1.090000      389.2781      71.7   
1 1 1 24 26 35 o 1.330000       1.067000      85.70352      -37.7  
1 1 1 24 26 36 o 3.753000       1.077000      229.2680      152.1  
1 1 1 24 26 37 o 1.868000       1.080000      105.1268      -12.8  
1 1 1 24 26 38 f -0.3445000     1.093000      20.48129      -105.7 
1 1 1 24 26 39 o 0.3628000      1.115000      119.1457      133.3  
1 1 1 24 26 40 o 0.8597000      1.143000      233.9379      -64.3  
1 1 1 24 26 41 o 0.4944000      1.196000      220.5706      24.5   
1 1 1 24 26 42 o 1.102000       1.248000      270.6026      50.2   
1 1 1 24 26 43 o -0.5653000     1.306000      42.14119      24.6   
1 1 1 24 26 44 o 1.117000       1.427000      ?             ?      
1 1 1 24 26 45 o 0.6717000      1.530000      ?             ?      
1 1 1 24 26 46 o 2.824000       1.512000      ?             ?      
1 1 1 24 26 47 o 0.9016000      1.271000      ?             ?      
1 1 1 24 26 48 o 0.8641000E-01  1.274000      ?             ?      
1 1 1 24 26 49 o 1.266000       1.166000      ?             ?      
1 1 1 24 26 50 o 2.060000       1.165000      ?             ?      
1 1 1 24 26 51 o -0.7139000     1.253000      ?             ?      
1 1 1 24 26 52 o 1.330000       1.380000      ?             ?      
1 1 1 24 26 53 o 1.328000       1.311000      ?             ?      
1 1 1 24 26 54 o -0.6199000     1.275000      ?             ?      
1 1 1 24 26 55 o 2.240000       1.309000      ?             ?      
1 1 1 24 26 56 o 0.6354000      1.318000      ?             ?      
1 1 1 24 26 57 o 0.4247000      1.208000      ?             ?      
1 1 1 24 26 58 o 0.6923000      1.294000      ?             ?      
1 1 1 24 26 59 o -2.189000      1.377000      ?             ?      
1 1 1 24 26 60 o -2.785000      1.579000      ?             ?      
1 1 1 24 26 61 o 2.260000       1.777000      ?             ?      
1 1 1 24 26 62 o 0.9855000      1.436000      ?             ?      
1 1 1 24 26 63 o -0.5902000     1.287000      ?             ?      
1 1 1 24 27 0  o 2.628000       1.306000      258.8905      0.0    
1 1 1 24 27 1  o 9.017000       1.045000      375.6941      -164.7 
1 1 1 24 27 2  o 2.310000       0.9654000     245.0839      -84.5  
1 1 1 24 27 3  o 7.088000       1.009000      477.5097      13.2   
1 1 1 24 27 4  o 1.885000       1.002000      237.4311      -148.8 
1 1 1 24 27 5  f 1.063000       1.000000      120.1966      139.5  
1 1 1 24 27 6  o 1.797000       1.108000      247.2659      119.3  
1 1 1 24 27 7  o 1.627000       1.134000      171.0652      90.2   
1 1 1 24 27 8  o 2.633000       1.149000      297.1472      -168.6 
1 1 1 24 27 9  o 1.482000       1.128000      141.7624      98.2   
1 1 1 24 27 10 o 6.371000       1.175000      365.1992      -22.6  
1 1 1 24 27 11 o 2.610000       1.188000      377.4295      -176.7 
1 1 1 24 27 12 o 2.264000       1.161000      160.0105      -138.7 
1 1 1 24 27 13 o 1.733000       1.107000      81.49505      175.0  
1 1 1 24 27 14 o 0.5471000      1.099000      163.9671      -14.5  
1 1 1 24 27 15 o 1.353000       1.116000      220.0443      -171.6 
1 1 1 24 27 16 o -2.151000      1.147000      118.4168      23.4   
1 1 1 24 27 17 o 1.726000       1.156000      234.9018      118.9  
1 1 1 24 27 18 o 0.1843000      1.149000      294.2375      127.6  
1 1 1 24 27 19 o 2.359000       1.187000      268.4093      -123.6 
1 1 1 24 27 20 o 1.641000       1.178000      328.6516      -127.9 
1 1 1 24 27 21 o 3.296000       1.346000      312.1521      154.8  
1 1 1 24 27 22 o 3.317000       1.381000      314.7172      -6.8   
1 1 1 24 27 23 o 1.903000       1.439000      88.67032      32.9   
1 1 1 24 27 24 o 0.6385000      1.523000      160.0129      21.6   
1 1 1 24 27 25 o -1.267000      1.370000      85.25327      129.1  
1 1 1 24 27 26 o 0.5233000      1.293000      238.5426      -69.2  
1 1 1 24 27 27 o 6.072000       1.202000      409.3770      54.3   
1 1 1 24 27 28 o 0.6369000E-01  1.139000      209.3806      -31.8  
1 1 1 24 27 29 o 4.843000       1.082000      330.0054      81.7   
1 1 1 24 27 30 o 0.4861000      1.050000      14.99721      -171.6 
1 1 1 24 27 31 o -0.3117000     1.018000      189.3545      88.0   
1 1 1 24 27 32 o 8.229000       1.088000      462.0749      -145.7 
1 1 1 24 27 33 o 0.6186000      1.084000      35.63493      -155.5 
1 1 1 24 27 34 o 0.5343000      1.085000      260.2863      78.1   
1 1 1 24 27 35 o -0.6990000E-01 1.057000      175.0792      -81.1  
1 1 1 24 27 36 o 0.7183000      1.075000      106.1878      8.9    
1 1 1 24 27 37 o 0.5011000      1.104000      161.4779      -36.6  
1 1 1 24 27 38 o -0.4724000     1.111000      142.7655      55.5   
1 1 1 24 27 39 o 8.591000       1.166000      419.4853      59.3   
1 1 1 24 27 40 o 1.214000       1.125000      180.2655      111.5  
1 1 1 24 27 41 o 0.6763000      1.127000      207.2135      55.4   
1 1 1 24 27 42 o 3.384000       1.232000      261.6189      -85.1  
1 1 1 24 27 43 o 3.376000       1.414000      ?             ?      
1 1 1 24 27 44 o -0.8018000     1.277000      ?             ?      
1 1 1 24 27 45 o -0.4400000E-01 1.500000      ?             ?      
1 1 1 24 27 46 o 1.352000       1.389000      ?             ?      
1 1 1 24 27 47 o 0.1781000      1.286000      ?             ?      
1 1 1 24 27 48 o -1.329000      1.257000      ?             ?      
1 1 1 24 27 49 o 1.725000       1.163000      ?             ?      
1 1 1 24 27 50 f 0.8448000      1.151000      ?             ?      
1 1 1 24 27 51 o 0.8864000      1.353000      ?             ?      
1 1 1 24 27 52 o 1.572000       1.375000      ?             ?      
1 1 1 24 27 53 o 3.478000       1.404000      ?             ?      
1 1 1 24 27 54 o 2.772000       1.389000      ?             ?      
1 1 1 24 27 55 o -0.8550000     1.184000      ?             ?      
1 1 1 24 27 56 o -0.1768000E-01 1.195000      ?             ?      
1 1 1 24 27 57 o 0.7748000      1.212000      ?             ?      
1 1 1 24 27 58 o -0.6376000     1.522000      ?             ?      
1 1 1 24 27 59 o 0.5404000      1.957000      ?             ?      
1 1 1 24 27 60 o 2.127000       1.586000      ?             ?      
1 1 1 24 27 61 o 0.1146000      1.260000      ?             ?      
1 1 1 24 27 62 o -1.001000      1.269000      ?             ?      
1 1 1 24 28 0  o -0.4355000E-01 1.314000      158.7237      -0.0   
1 1 1 24 28 1  o -0.8154000     0.9462000     81.07508      80.1   
1 1 1 24 28 2  o -0.5149000     0.9570000     164.9634      -20.3  
1 1 1 24 28 3  o 2.012000       0.9649000     188.2774      138.4  
1 1 1 24 28 4  o 7.799000       1.049000      465.8500      115.8  
1 1 1 24 28 5  o 0.2251000      0.9917000     15.68622      155.6  
1 1 1 24 28 6  o 2.674000       1.139000      87.03542      -107.4 
1 1 1 24 28 7  o -0.1460000     1.132000      199.4981      -81.4  
1 1 1 24 28 8  o -0.9507000     1.127000      117.8955      -164.2 
1 1 1 24 28 9  o 0.1663000      1.124000      122.8691      -27.5  
1 1 1 24 28 10 o 11.90000       1.391000      464.5107      -6.5   
1 1 1 24 28 11 o 2.365000       1.149000      259.5296      26.9   
1 1 1 24 28 12 o 3.908000       1.132000      460.9484      -107.5 
1 1 1 24 28 13 o 5.142000       1.141000      387.1217      -17.8  
1 1 1 24 28 14 o -1.402000      1.037000      146.1240      -178.4 
1 1 1 24 28 15 o 3.790000       1.074000      200.7723      -95.2  
1 1 1 24 28 16 o 2.875000       1.117000      208.8305      -122.0 
1 1 1 24 28 17 o 0.9918000      1.141000      199.5869      88.7   
1 1 1 24 28 18 o 2.031000       1.125000      142.7189      31.0   
1 1 1 24 28 19 o 2.275000       1.115000      285.1747      -72.2  
1 1 1 24 28 20 o -1.553000      1.081000      125.1509      30.6   
1 1 1 24 28 21 o 0.3766000      1.226000      181.2802      177.5  
1 1 1 24 28 22 f 0.1310000      1.371000      101.4297      -125.3 
1 1 1 24 28 23 o 1.140000       1.294000      209.6737      46.7   
1 1 1 24 28 24 o 0.2743000      1.220000      176.4355      128.6  
1 1 1 24 28 25 o 2.386000       1.362000      169.6412      103.8  
1 1 1 24 28 26 o 0.7770000E-01  1.446000      84.22116      23.9   
1 1 1 24 28 27 o -0.5944000     1.258000      81.62737      55.5   
1 1 1 24 28 28 o 0.7754000      1.181000      228.3922      -168.1 
1 1 1 24 28 29 o 2.096000       1.081000      208.7242      -111.5 
1 1 1 24 28 30 o 1.039000       1.008000      162.9926      -145.9 
1 1 1 24 28 31 o 1.364000       1.036000      300.6075      -28.8  
1 1 1 24 28 32 o -0.5498000     1.085000      61.38167      -110.8 
1 1 1 24 28 33 o 3.229000       1.111000      292.1604      53.1   
1 1 1 24 28 34 o -0.6005000     1.087000      68.57935      -173.3 
1 1 1 24 28 35 o 0.6667000      1.062000      88.21918      44.3   
1 1 1 24 28 36 o 2.258000       1.154000      139.2074      28.5   
1 1 1 24 28 37 o 2.991000       1.189000      248.6773      87.9   
1 1 1 24 28 38 o 0.9789000      1.111000      111.4916      -122.3 
1 1 1 24 28 39 o -2.229000      1.096000      45.97158      -121.7 
1 1 1 24 28 40 o -0.3160000     1.102000      165.3570      43.7   
1 1 1 24 28 41 o 1.524000       1.128000      45.85445      44.2   
1 1 1 24 28 42 o 0.2999000E-01  1.278000      ?             ?      
1 1 1 24 28 43 o -1.394000      1.290000      ?             ?      
1 1 1 24 28 44 o 0.9718000      1.194000      ?             ?      
1 1 1 24 28 45 o -0.7269000     1.192000      ?             ?      
1 1 1 24 28 46 o -1.345000      1.344000      ?             ?      
1 1 1 24 28 47 o 1.992000       1.425000      ?             ?      
1 1 1 24 28 48 o 2.164000       1.258000      ?             ?      
1 1 1 24 28 49 o 1.340000       1.257000      ?             ?      
1 1 1 24 28 50 o 0.9395000      1.258000      ?             ?      
1 1 1 24 28 51 o 0.6071000      1.255000      ?             ?      
1 1 1 24 28 52 o -0.1336000     1.276000      ?             ?      
1 1 1 24 28 53 o 0.6127000E-01  1.387000      ?             ?      
1 1 1 24 28 54 o 0.8630000      1.306000      ?             ?      
1 1 1 24 28 55 o 0.3472000      1.204000      ?             ?      
1 1 1 24 28 56 o -0.4888000     1.311000      ?             ?      
1 1 1 24 28 57 o -0.4465000     1.400000      ?             ?      
1 1 1 24 28 58 o 4.526000       1.781000      ?             ?      
1 1 1 24 28 59 o -0.2723000E-01 1.391000      ?             ?      
1 1 1 24 28 60 o -0.2569000     1.236000      ?             ?      
1 1 1 24 28 61 o 1.758000       1.264000      ?             ?      
1 1 1 24 28 62 o -2.816000      3.023000      ?             ?      
1 1 1 24 29 0  o -0.4964000     1.283000      122.3451      180.0  
1 1 1 24 29 1  o 1.087000       0.9480000     149.0270      -121.1 
1 1 1 24 29 2  o 1.946000       0.9552000     166.8893      -17.9  
1 1 1 24 29 3  o 0.6573000E-01  0.9516000     81.76542      101.2  
1 1 1 24 29 4  o 0.8165000      0.9491000     223.2215      -127.9 
1 1 1 24 29 5  o 0.8690000      0.9908000     65.77068      21.7   
1 1 1 24 29 6  o 1.574000       1.145000      207.9787      76.1   
1 1 1 24 29 7  o 1.222000       1.144000      188.2260      102.6  
1 1 1 24 29 8  o 1.069000       1.127000      173.1595      127.9  
1 1 1 24 29 9  o -0.7759000E-01 1.193000      39.82344      55.8   
1 1 1 24 29 10 o 0.1133000      1.252000      93.84298      97.1   
1 1 1 24 29 11 o 2.340000       1.263000      205.2535      105.3  
1 1 1 24 29 12 o 0.4931000      1.083000      86.61605      124.8  
1 1 1 24 29 13 o 2.329000       1.063000      278.7559      -14.5  
1 1 1 24 29 14 o -1.020000      1.004000      96.63178      71.6   
1 1 1 24 29 15 o 1.896000       1.004000      166.2725      -164.2 
1 1 1 24 29 16 o 0.3620000      1.087000      79.20957      -80.5  
1 1 1 24 29 17 o 0.4654000      1.094000      34.90637      -67.5  
1 1 1 24 29 18 o 0.6141000      1.116000      38.42910      -23.8  
1 1 1 24 29 19 o 0.8953000      1.112000      146.3311      -136.5 
1 1 1 24 29 20 o 2.334000       1.267000      162.5845      62.5   
1 1 1 24 29 21 o 0.2928000      1.230000      123.3470      130.1  
1 1 1 24 29 22 o -1.072000      1.296000      40.50056      -50.5  
1 1 1 24 29 23 o -0.4131000     1.232000      177.1206      -161.6 
1 1 1 24 29 24 o 0.4223000E-01  1.357000      164.7386      78.3   
1 1 1 24 29 25 o -2.875000      1.327000      102.5451      -86.1  
1 1 1 24 29 26 f 3.154000       1.280000      166.2897      -57.7  
1 1 1 24 29 27 o 0.2440000      1.200000      124.8810      83.0   
1 1 1 24 29 28 o 1.209000       1.232000      138.0961      -130.5 
1 1 1 24 29 29 o 1.955000       1.297000      22.67050      63.6   
1 1 1 24 29 30 o 2.371000       1.107000      23.74916      -130.5 
1 1 1 24 29 31 o 0.7442000      1.040000      54.19970      -168.4 
1 1 1 24 29 32 o 2.249000       1.063000      137.6247      -131.8 
1 1 1 24 29 33 o 0.7063000      1.049000      75.54671      -168.7 
1 1 1 24 29 34 o -0.2702000     1.063000      121.1815      95.8   
1 1 1 24 29 35 o 2.432000       1.131000      111.8664      147.2  
1 1 1 24 29 36 o -0.4100000     1.139000      37.59538      140.0  
1 1 1 24 29 37 o 3.872000       1.179000      316.6418      -20.7  
1 1 1 24 29 38 o 1.664000       1.111000      149.4925      162.1  
1 1 1 24 29 39 o 1.015000       1.164000      127.8660      52.8   
1 1 1 24 29 40 o 0.3312000      1.157000      108.9321      157.6  
1 1 1 24 29 41 o 1.570000       1.135000      ?             ?      
1 1 1 24 29 42 o 0.2493000      1.245000      ?             ?      
1 1 1 24 29 43 o 0.8871000      1.184000      ?             ?      
1 1 1 24 29 44 o 1.023000       1.125000      ?             ?      
1 1 1 24 29 45 o 2.228000       1.145000      ?             ?      
1 1 1 24 29 46 o -0.1896000     1.321000      ?             ?      
1 1 1 24 29 47 o 0.3481000      1.740000      ?             ?      
1 1 1 24 29 48 o -1.763000      1.275000      ?             ?      
1 1 1 24 29 49 o -3.800000      1.413000      ?             ?      
1 1 1 24 29 50 o 0.1793000      1.148000      ?             ?      
1 1 1 24 29 51 o 3.046000       1.172000      ?             ?      
1 1 1 24 29 52 o -1.281000      1.260000      ?             ?      
1 1 1 24 29 53 o 0.4310000      1.299000      ?             ?      
1 1 1 24 29 54 o -0.3981000     1.587000      ?             ?      
1 1 1 24 29 55 o 0.7904000      1.706000      ?             ?      
1 1 1 24 29 56 o -1.768000      1.370000      ?             ?      
1 1 1 24 29 57 o 2.218000       1.359000      ?             ?      
1 1 1 24 29 58 o 0.1545000      1.527000      ?             ?      
1 1 1 24 29 59 o -0.2504000     1.290000      ?             ?      
1 1 1 24 29 60 o -0.4088000E-01 1.244000      ?             ?      
1 1 1 24 29 61 o -1.310000      1.263000      ?             ?      
1 1 1 24 30 0  o -0.2994000     1.291000      132.2029      180.0  
1 1 1 24 30 1  o 1.347000       0.9204000     93.71909      -93.0  
1 1 1 24 30 2  o 1.950000       0.9611000     201.5052      -7.7   
1 1 1 24 30 3  o 3.010000       0.9558000     148.3933      132.0  
1 1 1 24 30 4  o 0.6190000      0.9495000     97.63025      100.3  
1 1 1 24 30 5  o 2.460000       0.9820000     12.40682      -152.5 
1 1 1 24 30 6  o -0.2430000     1.116000      33.22681      53.0   
1 1 1 24 30 7  o 0.9918000      1.120000      97.59569      -152.3 
1 1 1 24 30 8  o -0.1580000     1.162000      141.4447      -102.9 
1 1 1 24 30 9  o -2.348000      1.258000      46.88722      31.7   
1 1 1 24 30 10 o -0.1393000     1.216000      138.1187      38.9   
1 1 1 24 30 11 o 1.314000       1.223000      128.1944      -140.2 
1 1 1 24 30 12 o 1.343000       1.005000      144.0076      -145.1 
1 1 1 24 30 13 o -0.3773000     0.9844000     21.53461      109.6  
1 1 1 24 30 14 o 0.7633000      0.9943000     180.3989      -97.1  
1 1 1 24 30 15 o 0.5525000      0.9967000     90.30278      -75.8  
1 1 1 24 30 16 o 0.1179000      1.097000      64.55285      86.8   
1 1 1 24 30 17 o -1.447000      1.089000      31.92483      -43.4  
1 1 1 24 30 18 o 0.8106000      1.120000      42.30093      163.2  
1 1 1 24 30 19 o 0.7738000      1.124000      67.06861      -110.1 
1 1 1 24 30 20 o -0.4628000     1.282000      122.1902      -140.0 
1 1 1 24 30 21 o -1.116000      1.299000      133.5459      160.8  
1 1 1 24 30 22 o 1.012000       1.190000      89.37019      -64.1  
1 1 1 24 30 23 o -0.8331000E-01 1.185000      154.6283      161.6  
1 1 1 24 30 24 o -0.3463000     1.315000      84.49931      97.5   
1 1 1 24 30 25 o -0.1964000     1.310000      83.75393      117.0  
1 1 1 24 30 26 o 1.003000       1.173000      106.1275      -71.9  
1 1 1 24 30 27 o 0.7412000      1.215000      77.15614      46.5   
1 1 1 24 30 28 o 1.678000       1.324000      162.2675      -165.0 
1 1 1 24 30 29 o 0.4211000      1.300000      66.36166      45.9   
1 1 1 24 30 30 o -1.087000      1.323000      51.79313      -72.9  
1 1 1 24 30 31 o 1.900000       1.083000      193.1063      -50.7  
1 1 1 24 30 32 o 2.173000       1.175000      51.82624      -134.0 
1 1 1 24 30 33 o 1.185000       1.082000      20.23343      156.8  
1 1 1 24 30 34 o 1.278000       1.067000      76.97974      -67.0  
1 1 1 24 30 35 o 1.303000       1.077000      158.2772      131.0  
1 1 1 24 30 36 o 0.2784000      1.090000      9.941379      -82.7  
1 1 1 24 30 37 o 1.164000       1.087000      112.8520      -41.6  
1 1 1 24 30 38 o 0.6362000      1.112000      58.26384      99.6   
1 1 1 24 30 39 o 2.953000       1.166000      169.7045      -21.9  
1 1 1 24 30 40 o -0.3486000     1.204000      ?             ?      
1 1 1 24 30 41 o 1.212000       1.270000      ?             ?      
1 1 1 24 30 42 o -1.465000      1.253000      ?             ?      
1 1 1 24 30 43 o 0.4510000      1.164000      ?             ?      
1 1 1 24 30 44 o 2.733000       1.091000      ?             ?      
1 1 1 24 30 45 o -2.435000      1.169000      ?             ?      
1 1 1 24 30 46 o -1.332000      1.339000      ?             ?      
1 1 1 24 30 47 o 1.692000       1.422000      ?             ?      
1 1 1 24 30 48 o -0.7097000     1.402000      ?             ?      
1 1 1 24 30 49 o -1.482000      1.220000      ?             ?      
1 1 1 24 30 50 o -2.114000      1.131000      ?             ?      
1 1 1 24 30 51 o -0.5276000E-02 1.146000      ?             ?      
1 1 1 24 30 52 o -1.972000      1.239000      ?             ?      
1 1 1 24 30 53 o -0.7513000     1.431000      ?             ?      
1 1 1 24 30 54 o -0.5697000     1.779000      ?             ?      
1 1 1 24 30 55 o -1.884000      1.299000      ?             ?      
1 1 1 24 30 56 o -0.3848000     1.259000      ?             ?      
1 1 1 24 30 57 o -2.273000      1.508000      ?             ?      
1 1 1 24 30 58 o 0.7932000      1.383000      ?             ?      
1 1 1 24 30 59 o 0.6796000      1.224000      ?             ?      
1 1 1 24 30 60 o -0.3462000     1.673000      ?             ?      
1 1 1 24 31 0  o -0.1209000     1.258000      151.7738      -0.0   
1 1 1 24 31 1  o -0.3126000     0.8795000     43.17673      -95.1  
1 1 1 24 31 2  o 0.7036000      0.9180000     89.23745      84.8   
1 1 1 24 31 3  o -0.4688000E-01 0.9292000     147.9777      -157.4 
1 1 1 24 31 4  o -1.228000      0.9308000     57.79087      148.7  
1 1 1 24 31 5  o 1.359000       0.9850000     165.8569      113.8  
1 1 1 24 31 6  o -0.9951000     1.153000      37.80548      -55.2  
1 1 1 24 31 7  o 1.086000       1.179000      23.19671      -134.0 
1 1 1 24 31 8  o -1.890000      1.139000      64.09459      -173.4 
1 1 1 24 31 9  o 0.6555000      1.235000      21.87851      -76.2  
1 1 1 24 31 10 o -0.4675000     1.241000      42.01971      113.1  
1 1 1 24 31 11 o -0.8530000     1.121000      94.71951      133.3  
1 1 1 24 31 12 o -0.7698000     1.058000      89.56233      -77.7  
1 1 1 24 31 13 o -0.2336000     0.9832000     118.2937      -38.8  
1 1 1 24 31 14 o -0.7044000     0.9980000     89.85915      165.0  
1 1 1 24 31 15 o -0.1518000     1.008000      98.64014      96.8   
1 1 1 24 31 16 o 1.501000       1.043000      71.57396      -101.3 
1 1 1 24 31 17 o 2.139000       1.136000      163.1374      -98.7  
1 1 1 24 31 18 o 0.2485000      1.105000      93.63247      48.4   
1 1 1 24 31 19 o 2.332000       1.283000      53.58878      -130.5 
1 1 1 24 31 20 o 0.8303000      1.346000      84.44130      28.0   
1 1 1 24 31 21 o -0.4927000     1.183000      37.59435      149.5  
1 1 1 24 31 22 o 1.494000       1.221000      54.46415      -138.6 
1 1 1 24 31 23 o -0.6035000     1.340000      31.92835      -154.0 
1 1 1 24 31 24 o -0.8985000     1.314000      41.99152      -50.5  
1 1 1 24 31 25 o 0.4449000      1.167000      37.84431      -163.4 
1 1 1 24 31 26 o -0.6221000     1.162000      50.88272      1.4    
1 1 1 24 31 27 o 0.8278000      1.158000      67.86890      -83.5  
1 1 1 24 31 28 o 1.043000       1.190000      34.22702      -120.9 
1 1 1 24 31 29 o -0.1823000     1.250000      74.98209      -134.8 
1 1 1 24 31 30 o 1.380000       1.288000      33.39717      -138.2 
1 1 1 24 31 31 o -0.7906000     1.384000      63.00994      -77.0  
1 1 1 24 31 32 o -0.2869000     1.130000      103.4446      129.7  
1 1 1 24 31 33 o 0.9454000      1.064000      17.66323      -5.7   
1 1 1 24 31 34 o 0.2647000E-01  1.072000      72.33751      131.5  
1 1 1 24 31 35 o -0.9519000     1.112000      72.95291      89.7   
1 1 1 24 31 36 o 1.154000       1.126000      97.05118      -4.8   
1 1 1 24 31 37 o -1.035000      1.091000      65.52958      -41.2  
1 1 1 24 31 38 o 0.1649000      1.085000      27.70093      85.4   
1 1 1 24 31 39 o -0.3994000     1.100000      ?             ?      
1 1 1 24 31 40 o 0.6139000E-01  1.130000      ?             ?      
1 1 1 24 31 41 o -1.976000      1.217000      ?             ?      
1 1 1 24 31 42 o -0.2320000     1.116000      ?             ?      
1 1 1 24 31 43 o -0.9503000     1.276000      ?             ?      
1 1 1 24 31 44 o 0.3437000      1.116000      ?             ?      
1 1 1 24 31 45 o 1.673000       1.246000      ?             ?      
1 1 1 24 31 46 o 0.2861000      1.130000      ?             ?      
1 1 1 24 31 47 o -0.1311000E-01 1.400000      ?             ?      
1 1 1 24 31 48 o 0.3541000      1.376000      ?             ?      
1 1 1 24 31 49 o 0.8568000      1.217000      ?             ?      
1 1 1 24 31 50 o 0.9220000      1.231000      ?             ?      
1 1 1 24 31 51 o 1.084000       1.313000      ?             ?      
1 1 1 24 31 52 o 0.1401000      1.314000      ?             ?      
1 1 1 24 31 53 o 1.498000       1.164000      ?             ?      
1 1 1 24 31 54 o 0.8624000      1.292000      ?             ?      
1 1 1 24 31 55 o -1.231000      1.399000      ?             ?      
1 1 1 24 31 56 o 0.1958000      1.484000      ?             ?      
1 1 1 24 31 57 o 0.5515000      1.494000      ?             ?      
1 1 1 24 31 58 o -2.813000      1.773000      ?             ?      
1 1 1 24 31 59 o 1.457000       1.238000      ?             ?      
1 1 1 24 31 60 o 2.587000       1.523000      ?             ?      
1 1 1 24 32 0  o -0.3526000     1.225000      42.83903      180.0  
1 1 1 24 32 1  o -0.5558000     0.8494000     25.14320      -85.8  
1 1 1 24 32 2  o 0.2643000      0.8883000     48.02215      175.8  
1 1 1 24 32 3  o 0.4028000      0.9001000     27.36031      -74.9  
1 1 1 24 32 4  o -2.396000      0.9809000     46.41162      28.6   
1 1 1 24 32 5  o 0.8814000      0.9955000     56.73483      164.9  
1 1 1 24 32 6  o -0.7601000E-01 1.196000      73.35797      48.5   
1 1 1 24 32 7  o -0.9588000     1.155000      50.22918      83.6   
1 1 1 24 32 8  o 0.5781000      1.130000      33.12248      -159.0 
1 1 1 24 32 9  o -0.5066000     1.261000      64.28689      -52.6  
1 1 1 24 32 10 o 0.3001000E-02  1.230000      56.41451      -135.7 
1 1 1 24 32 11 o 0.8124000      1.114000      100.3143      -28.8  
1 1 1 24 32 12 o -0.3960000E-01 1.070000      9.226694      -84.7  
1 1 1 24 32 13 o 0.7543000E-01  1.084000      65.88503      -16.8  
1 1 1 24 32 14 o 0.5061000      1.016000      73.81010      -17.1  
1 1 1 24 32 15 o 1.656000       1.057000      29.24457      -97.0  
1 1 1 24 32 16 o -0.2268000E-01 1.037000      18.27388      -47.9  
1 1 1 24 32 17 o 2.574000       1.138000      50.29036      -42.8  
1 1 1 24 32 18 o 2.128000       1.323000      44.31916      -178.8 
1 1 1 24 32 19 o -0.9766000     1.338000      27.81038      144.3  
1 1 1 24 32 20 o -1.748000      1.368000      102.4264      -103.3 
1 1 1 24 32 21 o 0.5535000      1.174000      85.94685      72.2   
1 1 1 24 32 22 o 0.3228000      1.172000      86.91438      63.4   
1 1 1 24 32 23 o 0.8152000      1.338000      47.45812      -58.9  
1 1 1 24 32 24 o -1.170000      1.328000      112.7378      68.3   
1 1 1 24 32 25 o -2.379000      1.171000      18.57203      20.6   
1 1 1 24 32 26 o 1.004000       1.184000      81.09309      50.6   
1 1 1 24 32 27 o -1.591000      1.169000      87.50364      27.0   
1 1 1 24 32 28 o 1.777000       1.168000      99.95322      -102.8 
1 1 1 24 32 29 o -0.6514000     1.187000      68.34929      65.5   
1 1 1 24 32 30 o -0.7616000     1.313000      24.97945      141.0  
1 1 1 24 32 31 o 0.6874000      1.318000      55.53112      -146.8 
1 1 1 24 32 32 o 1.278000       1.330000      50.96444      -37.0  
1 1 1 24 32 33 o 2.655000       1.096000      159.6743      -163.6 
1 1 1 24 32 34 o 1.017000       1.140000      87.17336      50.3   
1 1 1 24 32 35 o 0.3762000E-01  1.145000      45.70934      66.9   
1 1 1 24 32 36 o 1.767000       1.101000      58.78312      -123.3 
1 1 1 24 32 37 o 0.9937000      1.090000      72.55013      37.3   
1 1 1 24 32 38 o -2.136000      1.117000      ?             ?      
1 1 1 24 32 39 o -1.594000      1.102000      ?             ?      
1 1 1 24 32 40 o -2.043000      1.434000      ?             ?      
1 1 1 24 32 41 o -1.950000      1.499000      ?             ?      
1 1 1 24 32 42 o 0.3730000      1.241000      ?             ?      
1 1 1 24 32 43 o -0.3100000     1.136000      ?             ?      
1 1 1 24 32 44 o -0.8452000     1.030000      ?             ?      
1 1 1 24 32 45 o -0.2630000     1.054000      ?             ?      
1 1 1 24 32 46 o 0.7869000      1.074000      ?             ?      
1 1 1 24 32 47 o 0.2449000      1.231000      ?             ?      
1 1 1 24 32 48 o 1.699000       1.306000      ?             ?      
1 1 1 24 32 49 o -2.102000      1.509000      ?             ?      
1 1 1 24 32 50 o -0.9366000     1.402000      ?             ?      
1 1 1 24 32 51 o -0.9539000E-01 1.123000      ?             ?      
1 1 1 24 32 52 o -0.8391000     1.131000      ?             ?      
1 1 1 24 32 53 o -0.1846000E-01 1.159000      ?             ?      
1 1 1 24 32 54 o 0.2894000      1.285000      ?             ?      
1 1 1 24 32 55 o 0.8247000      1.354000      ?             ?      
1 1 1 24 32 56 o 0.7763000      2.026000      ?             ?      
1 1 1 24 32 57 o -1.156000      1.509000      ?             ?      
1 1 1 24 32 58 o -1.584000      1.212000      ?             ?      
1 1 1 24 32 59 o 0.2819000      1.673000      ?             ?      
1 1 1 24 33 0  f 0.2004000      1.246000      18.26143      0.0    
1 1 1 24 33 1  o 0.7036000      0.8658000     42.32236      -117.0 
1 1 1 24 33 2  o 0.6326000      0.8617000     45.96624      121.4  
1 1 1 24 33 3  o -0.7297000     0.9043000     120.1665      -136.7 
1 1 1 24 33 4  o -1.283000      0.9492000     85.86425      70.9   
1 1 1 24 33 5  o -0.5014000     0.9468000     151.6522      -121.7 
1 1 1 24 33 6  o 0.9521000      1.018000      78.63493      -41.1  
1 1 1 24 33 7  o -2.939000      1.142000      177.6949      93.9   
1 1 1 24 33 8  o -0.1937000     1.128000      48.18249      79.0   
1 1 1 24 33 9  o -1.223000      1.248000      70.81844      -174.7 
1 1 1 24 33 10 o -0.6072000     1.264000      74.42624      111.9  
1 1 1 24 33 11 o -0.5633000     1.125000      24.58401      -117.0 
1 1 1 24 33 12 o -0.3936000     1.105000      36.12612      119.3  
1 1 1 24 33 13 o 2.852000       1.122000      168.7359      -59.2  
1 1 1 24 33 14 o 0.1088000      1.118000      42.53297      -82.2  
1 1 1 24 33 15 o -0.2074000     1.029000      79.43604      84.6   
1 1 1 24 33 16 o -0.7234000     1.040000      118.6014      -12.9  
1 1 1 24 33 17 o 1.607000       1.174000      34.71026      176.3  
1 1 1 24 33 18 o 0.4218000      1.396000      48.69473      -44.5  
1 1 1 24 33 19 o -0.6529000     1.412000      70.00539      -19.2  
1 1 1 24 33 20 o 0.2744000      1.219000      59.53459      -139.6 
1 1 1 24 33 21 o 1.488000       1.208000      33.35925      67.4   
1 1 1 24 33 22 o 0.5477000      1.415000      149.6713      52.5   
1 1 1 24 33 23 o -0.6987000     1.363000      82.72964      109.9  
1 1 1 24 33 24 o -1.208000      1.196000      29.94656      -129.8 
1 1 1 24 33 25 o -0.6541000     1.207000      29.18347      126.8  
1 1 1 24 33 26 o 0.3331000      1.203000      59.76958      95.3   
1 1 1 24 33 27 o -0.5887000     1.209000      63.96075      -99.8  
1 1 1 24 33 28 o -0.3098000     1.209000      27.49230      178.6  
1 1 1 24 33 29 o -0.5306000     1.220000      86.70981      -19.0  
1 1 1 24 33 30 o 0.2158000      1.246000      31.78835      -85.8  
1 1 1 24 33 31 o -0.1624000     1.334000      93.41982      -8.5   
1 1 1 24 33 32 o -0.8233000     1.333000      43.09020      2.1    
1 1 1 24 33 33 o -0.1615000     1.338000      67.58146      36.8   
1 1 1 24 33 34 o -0.3375000     1.098000      26.29397      160.6  
1 1 1 24 33 35 o -2.684000      1.100000      59.21247      -5.0   
1 1 1 24 33 36 o 0.4184000      1.095000      25.58465      75.2   
1 1 1 24 33 37 o -0.8934000     1.119000      ?             ?      
1 1 1 24 33 38 o -1.041000      1.360000      ?             ?      
1 1 1 24 33 39 o 1.071000       1.415000      ?             ?      
1 1 1 24 33 40 o -1.586000      1.425000      ?             ?      
1 1 1 24 33 41 o -1.125000      1.203000      ?             ?      
1 1 1 24 33 42 o -0.3922000     1.120000      ?             ?      
1 1 1 24 33 43 o -1.649000      1.041000      ?             ?      
1 1 1 24 33 44 o 0.1652000      1.026000      ?             ?      
1 1 1 24 33 45 o 0.8463000      1.090000      ?             ?      
1 1 1 24 33 46 o 0.9612000      1.092000      ?             ?      
1 1 1 24 33 47 o -0.4448000     1.215000      ?             ?      
1 1 1 24 33 48 o -0.8851000E-02 1.318000      ?             ?      
1 1 1 24 33 49 o 1.390000       1.403000      ?             ?      
1 1 1 24 33 50 o -0.4364000     1.213000      ?             ?      
1 1 1 24 33 51 o 0.4658000      1.134000      ?             ?      
1 1 1 24 33 52 o -1.168000      1.405000      ?             ?      
1 1 1 24 33 53 o 0.9002000      1.231000      ?             ?      
1 1 1 24 33 54 o 1.448000       1.181000      ?             ?      
1 1 1 24 33 55 o -3.275000      1.543000      ?             ?      
1 1 1 24 33 56 o 1.426000       2.080000      ?             ?      
1 1 1 24 33 57 o -0.4220000     1.414000      ?             ?      
1 1 1 24 33 58 o 0.1340000      1.224000      ?             ?      
1 1 1 24 34 0  o 0.2085000      1.241000      101.4997      -180.0 
1 1 1 24 34 1  o -0.4732000     0.8723000     40.46176      143.7  
1 1 1 24 34 2  o -0.4292000     0.8722000     94.89404      -176.9 
1 1 1 24 34 3  o 1.566000       0.9245000     72.21472      -32.6  
1 1 1 24 34 4  o -0.7783000     0.9499000     155.1695      49.8   
1 1 1 24 34 5  o -1.364000      0.9410000     67.80995      -142.9 
1 1 1 24 34 6  o 1.133000       1.048000      136.8211      -150.7 
1 1 1 24 34 7  o 1.432000       1.167000      70.30206      163.6  
1 1 1 24 34 8  o 0.1582000      1.173000      82.94536      174.5  
1 1 1 24 34 9  o 0.4838000      1.292000      125.2891      -140.9 
1 1 1 24 34 10 o -2.647000      1.292000      35.42118      76.0   
1 1 1 24 34 11 o 0.2118000      1.132000      76.39812      -55.8  
1 1 1 24 34 12 o -0.7503000     1.123000      68.18411      149.3  
1 1 1 24 34 13 o -1.786000      1.119000      27.99395      -64.2  
1 1 1 24 34 14 o 1.011000       1.160000      135.3511      -33.6  
1 1 1 24 34 15 o 0.2015000      1.161000      118.8031      -61.4  
1 1 1 24 34 16 o -1.244000      1.058000      26.56817      -105.8 
1 1 1 24 34 17 o 0.4459000      1.443000      99.71303      150.1  
1 1 1 24 34 18 o 0.1588000      1.471000      60.37471      -88.3  
1 1 1 24 34 19 o 3.183000       1.277000      117.4613      54.4   
1 1 1 24 34 20 o -1.817000      1.256000      45.11670      174.0  
1 1 1 24 34 21 o -0.4985000     1.242000      82.85317      132.2  
1 1 1 24 34 22 o 0.1155000      1.414000      89.85233      -168.3 
1 1 1 24 34 23 o 0.2227000      1.414000      58.63903      82.5   
1 1 1 24 34 24 o 0.6070000      1.224000      76.02470      58.9   
1 1 1 24 34 25 o 2.012000       2.157000      132.7413      -118.4 
1 1 1 24 34 26 o -0.3497000     1.224000      89.01547      32.0   
1 1 1 24 34 27 o 0.5394000      1.234000      46.92138      84.1   
1 1 1 24 34 28 o -1.788000      1.250000      45.79294      -25.0  
1 1 1 24 34 29 o -1.575000      1.273000      183.3326      103.4  
1 1 1 24 34 30 o 1.591000       1.284000      175.5771      101.4  
1 1 1 24 34 31 o 1.905000       1.292000      126.8136      112.0  
1 1 1 24 34 32 o -1.182000      1.356000      135.6335      173.9  
1 1 1 24 34 33 o 1.921000       1.372000      122.5635      98.9   
1 1 1 24 34 34 o -0.6645000     1.171000      84.79382      117.6  
1 1 1 24 34 35 o 0.3931000      1.098000      34.86531      107.7  
1 1 1 24 34 36 o 0.3789000      1.264000      ?             ?      
1 1 1 24 34 37 o -0.4158000     1.112000      ?             ?      
1 1 1 24 34 38 o -0.5069000     1.237000      ?             ?      
1 1 1 24 34 39 o 0.4053000      1.181000      ?             ?      
1 1 1 24 34 40 o 0.4346000      1.195000      ?             ?      
1 1 1 24 34 41 o 0.1020000      1.106000      ?             ?      
1 1 1 24 34 42 o 0.8980000      1.027000      ?             ?      
1 1 1 24 34 43 o 0.2566000      1.103000      ?             ?      
1 1 1 24 34 44 o -0.9049000     1.320000      ?             ?      
1 1 1 24 34 45 o 0.4445000E-01  1.257000      ?             ?      
1 1 1 24 34 46 o 0.3044000E-01  1.018000      ?             ?      
1 1 1 24 34 47 o 0.1502000      1.032000      ?             ?      
1 1 1 24 34 48 o 0.2697000      1.209000      ?             ?      
1 1 1 24 34 49 o 1.459000       1.287000      ?             ?      
1 1 1 24 34 50 o -0.1673000     1.141000      ?             ?      
1 1 1 24 34 51 o -0.1893000E-01 1.176000      ?             ?      
1 1 1 24 34 52 o 0.1642000      1.154000      ?             ?      
1 1 1 24 34 53 o 0.4608000      1.186000      ?             ?      
1 1 1 24 34 54 o 0.5406000E-01  1.227000      ?             ?      
1 1 1 24 34 55 o -0.8811000     1.471000      ?             ?      
1 1 1 24 34 56 o 2.529000       1.967000      ?             ?      
1 1 1 24 34 57 o 1.628000       1.464000      ?             ?      
1 1 1 24 35 0  o 0.6596000      1.206000      88.31170      180.0  
1 1 1 24 35 1  o 0.4772000E-01  0.8390000     96.37442      -60.1  
1 1 1 24 35 2  o 0.6636000E-01  0.8503000     167.6153      107.9  
1 1 1 24 35 3  o 0.2136000      0.9166000     45.37716      -41.3  
1 1 1 24 35 4  o 4.592000       0.9726000     283.8352      -2.0   
1 1 1 24 35 5  o 0.6959000      0.9486000     76.24603      -54.7  
1 1 1 24 35 6  o 1.653000       1.051000      202.8230      -106.1 
1 1 1 24 35 7  o 0.8194000      1.240000      211.1600      -56.0  
1 1 1 24 35 8  o 1.685000       1.283000      132.4187      -89.1  
1 1 1 24 35 9  o -0.2770000     1.323000      145.3793      166.7  
1 1 1 24 35 10 o -1.519000      1.311000      72.15106      -37.1  
1 1 1 24 35 11 o -0.1968000     1.147000      23.49700      -92.0  
1 1 1 24 35 12 o -0.3249000     1.129000      88.71279      -10.9  
1 1 1 24 35 13 o -0.8201000     1.142000      103.4772      -53.5  
1 1 1 24 35 14 o 4.328000       1.190000      232.3118      33.5   
1 1 1 24 35 15 o 3.028000       1.179000      39.51655      55.0   
1 1 1 24 35 16 o -0.5198000     1.414000      35.08443      43.5   
1 1 1 24 35 17 o 0.5600000      1.473000      169.6341      170.7  
1 1 1 24 35 18 o 2.818000       1.527000      181.6701      -131.6 
1 1 1 24 35 19 o -0.8851000     1.291000      173.7431      171.1  
1 1 1 24 35 20 o 4.548000       1.336000      205.2269      -90.9  
1 1 1 24 35 21 o 0.7777000      1.550000      284.1847      -6.4   
1 1 1 24 35 22 o 2.383000       1.499000      23.66682      149.0  
1 1 1 24 35 23 o 1.544000       1.296000      151.6574      154.9  
1 1 1 24 35 24 o 2.657000       1.280000      158.8427      -2.8   
1 1 1 24 35 25 o -0.6911000     1.251000      38.69877      37.5   
1 1 1 24 35 26 o 2.052000       1.273000      145.2573      11.8   
1 1 1 24 35 27 o 1.510000       1.271000      68.19219      96.9   
1 1 1 24 35 28 o -0.4643000     1.273000      71.30882      -154.2 
1 1 1 24 35 29 o -1.606000      1.289000      48.47674      173.8  
1 1 1 24 35 30 o 2.898000       1.303000      126.8377      -114.7 
1 1 1 24 35 31 o 0.4533000      1.284000      114.9503      -12.0  
1 1 1 24 35 32 o -0.3848000     1.297000      102.8390      -150.5 
1 1 1 24 35 33 o 0.4722000      1.397000      118.9021      -120.0 
1 1 1 24 35 34 o 0.9681000      1.363000      ?             ?      
1 1 1 24 35 35 o 0.9718000      1.138000      ?             ?      
1 1 1 24 35 36 o -0.6518000     1.147000      ?             ?      
1 1 1 24 35 37 o -0.5197000     1.086000      ?             ?      
1 1 1 24 35 38 o -0.2884000     1.105000      ?             ?      
1 1 1 24 35 39 o -1.189000      1.132000      ?             ?      
1 1 1 24 35 40 o -0.4157000     1.047000      ?             ?      
1 1 1 24 35 41 o -0.1363000     1.118000      ?             ?      
1 1 1 24 35 42 o 1.895000       1.151000      ?             ?      
1 1 1 24 35 43 o 1.252000       1.173000      ?             ?      
1 1 1 24 35 44 o -0.3697000     1.032000      ?             ?      
1 1 1 24 35 45 o 0.3974000      1.058000      ?             ?      
1 1 1 24 35 46 o -0.1507000     1.034000      ?             ?      
1 1 1 24 35 47 o 1.268000       1.069000      ?             ?      
1 1 1 24 35 48 o -0.6649000     1.066000      ?             ?      
1 1 1 24 35 49 o 0.6484000      1.229000      ?             ?      
1 1 1 24 35 50 o 2.558000       1.305000      ?             ?      
1 1 1 24 35 51 o -0.5617000     1.140000      ?             ?      
1 1 1 24 35 52 o 0.3187000      1.085000      ?             ?      
1 1 1 24 35 53 o 1.288000       1.195000      ?             ?      
1 1 1 24 35 54 o 0.1489000      1.345000      ?             ?      
1 1 1 24 35 55 o 0.5660000      1.465000      ?             ?      
1 1 1 24 35 56 o 0.3374000E-01  1.349000      ?             ?      
1 1 1 24 35 57 o 2.654000       1.714000      ?             ?      
1 1 1 24 36 0  o 0.1575000      1.172000      171.3570      -180.0 
1 1 1 24 36 1  o 0.8428000      0.8248000     78.20190      -135.2 
1 1 1 24 36 2  o 2.065000       0.8478000     205.7054      91.8   
1 1 1 24 36 3  o 1.316000       0.8715000     144.2029      14.1   
1 1 1 24 36 4  o 3.191000       0.9505000     205.4602      35.3   
1 1 1 24 36 5  o 2.794000       0.9694000     245.1332      -3.2   
1 1 1 24 36 6  o -0.2208000     1.040000      119.8744      -76.2  
1 1 1 24 36 7  o 0.9788000      1.266000      105.3428      -23.3  
1 1 1 24 36 8  o 0.4840000E-01  1.297000      37.28711      160.9  
1 1 1 24 36 9  o 2.029000       1.384000      232.0174      7.3    
1 1 1 24 36 10 o -0.7588000E-01 1.335000      124.5168      -17.1  
1 1 1 24 36 11 o -0.3661000     1.153000      64.57246      150.7  
1 1 1 24 36 12 o 0.4391000      1.128000      8.599889      102.6  
1 1 1 24 36 13 o 0.3467000      1.163000      206.2830      0.1    
1 1 1 24 36 14 o 2.011000       1.199000      147.1735      -52.7  
1 1 1 24 36 15 o -1.191000      1.202000      35.04871      -110.0 
1 1 1 24 36 16 o -1.250000      1.420000      16.07136      162.8  
1 1 1 24 36 17 o 3.172000       1.962000      217.6011      -119.5 
1 1 1 24 36 18 o 4.287000       1.350000      329.8250      -86.0  
1 1 1 24 36 19 o 6.395000       1.369000      260.6218      37.1   
1 1 1 24 36 20 o -0.6248000     1.346000      92.39713      -67.8  
1 1 1 24 36 21 o -1.067000      1.549000      35.21917      -176.7 
1 1 1 24 36 22 o -0.7800000     1.548000      101.0191      169.0  
1 1 1 24 36 23 o 1.074000       1.332000      142.5777      73.8   
1 1 1 24 36 24 o 0.5801000      1.322000      34.68346      148.4  
1 1 1 24 36 25 o 1.525000       1.323000      195.4236      114.1  
1 1 1 24 36 26 o 0.4899000E-01  1.287000      108.9731      114.2  
1 1 1 24 36 27 o -0.1468000     1.294000      158.2359      100.2  
1 1 1 24 36 28 o 0.2291000      1.305000      178.0659      -73.3  
1 1 1 24 36 29 o 0.5654000      1.291000      113.0613      74.8   
1 1 1 24 36 30 o -2.116000      1.292000      101.2587      122.3  
1 1 1 24 36 31 o 2.476000       1.318000      212.4939      96.5   
1 1 1 24 36 32 o 1.492000       1.349000      109.0613      126.1  
1 1 1 24 36 33 o 0.7461000      1.320000      ?             ?      
1 1 1 24 36 34 o -1.413000      1.448000      ?             ?      
1 1 1 24 36 35 o 0.5920000      1.318000      ?             ?      
1 1 1 24 36 36 o 1.238000       1.090000      ?             ?      
1 1 1 24 36 37 o -0.7295000     1.067000      ?             ?      
1 1 1 24 36 38 o -0.1492000     1.128000      ?             ?      
1 1 1 24 36 39 o -0.6393000     1.215000      ?             ?      
1 1 1 24 36 40 o 1.525000       1.189000      ?             ?      
1 1 1 24 36 41 o 0.3414000      1.111000      ?             ?      
1 1 1 24 36 42 o 0.4876000      0.9944000     ?             ?      
1 1 1 24 36 43 o -0.8295000     0.9876000     ?             ?      
1 1 1 24 36 44 o 0.4212000      0.9782000     ?             ?      
1 1 1 24 36 45 o -0.8463000E-01 0.9922000     ?             ?      
1 1 1 24 36 46 o -1.096000      1.027000      ?             ?      
1 1 1 24 36 47 o 1.019000       1.078000      ?             ?      
1 1 1 24 36 48 o 2.203000       1.117000      ?             ?      
1 1 1 24 36 49 o -0.9636000     1.207000      ?             ?      
1 1 1 24 36 50 o -0.8928000     1.378000      ?             ?      
1 1 1 24 36 51 o -0.3322000E-01 1.174000      ?             ?      
1 1 1 24 36 52 o 0.5352000      1.186000      ?             ?      
1 1 1 24 36 53 o 0.5600000      1.131000      ?             ?      
1 1 1 24 36 54 o 1.769000       1.299000      ?             ?      
1 1 1 24 36 55 o 0.2994000      1.210000      ?             ?      
1 1 1 24 36 56 o -0.8049000     1.183000      ?             ?      
1 1 1 24 37 0  o 2.844000       1.205000      126.8707      180.0  
1 1 1 24 37 1  o -0.5909000E-01 0.8473000     111.2082      -6.7   
1 1 1 24 37 2  o -0.9464000     0.8449000     72.23878      81.4   
1 1 1 24 37 3  o -0.4978000     0.8708000     89.38604      32.6   
1 1 1 24 37 4  o 4.719000       0.9661000     227.8053      55.2   
1 1 1 24 37 5  o 1.959000       1.001000      219.5210      95.3   
1 1 1 24 37 6  o 2.692000       1.074000      165.9243      -70.0  
1 1 1 24 37 7  o 2.672000       1.385000      70.22498      -50.8  
1 1 1 24 37 8  o 8.088000       1.408000      375.7292      119.6  
1 1 1 24 37 9  o 0.8568000      1.390000      51.36102      8.5    
1 1 1 24 37 10 o 0.2078000      1.354000      25.94217      -106.2 
1 1 1 24 37 11 o -0.9233000     1.177000      37.26033      -172.8 
1 1 1 24 37 12 o 0.7215000      1.156000      52.37117      -177.1 
1 1 1 24 37 13 o 3.391000       1.197000      179.8333      10.8   
1 1 1 24 37 14 o -0.6216000     1.223000      76.68192      -71.3  
1 1 1 24 37 15 o 0.1217000      1.434000      122.3020      56.8   
1 1 1 24 37 16 o 2.191000       1.482000      290.1215      -0.9   
1 1 1 24 37 17 o -0.4718000     1.967000      195.2092      159.7  
1 1 1 24 37 18 o 1.927000       1.547000      126.5446      148.9  
1 1 1 24 37 19 o 2.443000       1.381000      232.0078      6.7    
1 1 1 24 37 20 o 3.340000       1.675000      264.1475      -71.7  
1 1 1 24 37 21 o 5.668000       1.661000      210.6760      6.3    
1 1 1 24 37 22 o 5.285000       1.423000      261.1365      -167.2 
1 1 1 24 37 23 o 1.753000       1.373000      216.8082      116.1  
1 1 1 24 37 24 o 1.846000       1.370000      126.4196      -30.7  
1 1 1 24 37 25 o 5.825000       1.367000      327.1556      159.1  
1 1 1 24 37 26 o 2.035000       1.331000      171.3174      139.7  
1 1 1 24 37 27 o 1.578000       1.312000      83.82948      69.4   
1 1 1 24 37 28 o 0.1187000      1.286000      138.3595      -145.6 
1 1 1 24 37 29 o 1.960000       1.308000      137.9791      -87.8  
1 1 1 24 37 30 o 2.474000       1.375000      227.3758      -104.6 
1 1 1 24 37 31 o 1.277000       1.358000      ?             ?      
1 1 1 24 37 32 o -1.632000      1.289000      ?             ?      
1 1 1 24 37 33 o 1.144000       1.313000      ?             ?      
1 1 1 24 37 34 o 3.899000       1.320000      ?             ?      
1 1 1 24 37 35 o 1.403000       1.353000      ?             ?      
1 1 1 24 37 36 o 1.020000       1.530000      ?             ?      
1 1 1 24 37 37 o -0.7282000     1.335000      ?             ?      
1 1 1 24 37 38 o -1.034000      1.181000      ?             ?      
1 1 1 24 37 39 o -0.5243000     1.027000      ?             ?      
1 1 1 24 37 40 o 0.3156000      1.012000      ?             ?      
1 1 1 24 37 41 o -1.011000      0.9784000     ?             ?      
1 1 1 24 37 42 o 3.772000       1.019000      ?             ?      
1 1 1 24 37 43 o 1.069000       0.9851000     ?             ?      
1 1 1 24 37 44 o -1.603000      0.9741000     ?             ?      
1 1 1 24 37 45 o 0.5800000      0.9985000     ?             ?      
1 1 1 24 37 46 o 0.8721000      1.011000      ?             ?      
1 1 1 24 37 47 o -0.7778000E-01 1.023000      ?             ?      
1 1 1 24 37 48 o 0.2630000      1.032000      ?             ?      
1 1 1 24 37 49 o -0.3869000     1.197000      ?             ?      
1 1 1 24 37 50 o -0.8830000     1.267000      ?             ?      
1 1 1 24 37 51 o 0.2392000      1.391000      ?             ?      
1 1 1 24 37 52 o 0.4512000      1.185000      ?             ?      
1 1 1 24 37 53 o 1.088000       1.303000      ?             ?      
1 1 1 24 37 54 o -0.6773000E-01 1.336000      ?             ?      
1 1 1 24 37 55 o 0.4766000      1.254000      ?             ?      
1 1 1 24 38 0  o 2.666000       1.237000      220.1369      -180.0 
1 1 1 24 38 1  o 4.564000       0.8921000     313.3700      45.7   
1 1 1 24 38 2  f 0.7379000E-01  0.8668000     138.7360      -7.4   
1 1 1 24 38 3  o 2.762000       0.9146000     150.3503      -100.9 
1 1 1 24 38 4  o 3.213000       0.9668000     188.0394      -166.7 
1 1 1 24 38 5  o 10.73000       1.057000      336.3064      -15.8  
1 1 1 24 38 6  o 0.4312000      0.9735000     102.3822      -169.2 
1 1 1 24 38 7  o 3.535000       1.345000      257.0161      -3.1   
1 1 1 24 38 8  o 2.586000       1.311000      52.80042      104.0  
1 1 1 24 38 9  o 1.641000       1.420000      208.0278      -69.5  
1 1 1 24 38 10 o 0.4554000      1.395000      124.7949      -105.0 
1 1 1 24 38 11 o 1.853000       1.201000      208.5280      -70.6  
1 1 1 24 38 12 o 3.944000       1.213000      235.2877      6.5    
1 1 1 24 38 13 o 0.2188000      1.222000      82.29655      56.4   
1 1 1 24 38 14 o 2.067000       1.295000      214.8313      91.3   
1 1 1 24 38 15 o 2.083000       1.541000      212.8426      -23.0  
1 1 1 24 38 16 o 3.808000       1.591000      308.5759      162.4  
1 1 1 24 38 17 o 0.3678000      1.583000      226.1573      59.1   
1 1 1 24 38 18 o 2.103000       1.599000      175.9804      80.6   
1 1 1 24 38 19 o 16.56000       1.846000      384.6602      60.1   
1 1 1 24 38 20 o 5.061000       1.714000      273.6125      126.1  
1 1 1 24 38 21 o 0.8653000      1.634000      158.8098      -76.0  
1 1 1 24 38 22 o 3.653000       1.409000      263.5412      127.6  
1 1 1 24 38 23 o -0.2877000     1.365000      80.86947      27.8   
1 1 1 24 38 24 o 2.367000       1.355000      232.6506      -97.1  
1 1 1 24 38 25 o 0.5338000      1.328000      90.90034      144.8  
1 1 1 24 38 26 o -1.174000      1.334000      125.2364      139.0  
1 1 1 24 38 27 o 1.802000       1.337000      146.2730      -16.8  
1 1 1 24 38 28 o -0.2071000     1.377000      120.9753      -67.0  
1 1 1 24 38 29 o -0.4389000     1.324000      10.64986      -23.1  
1 1 1 24 38 30 o 0.1802000      1.325000      ?             ?      
1 1 1 24 38 31 o 0.8127000      1.292000      ?             ?      
1 1 1 24 38 32 o 1.655000       1.316000      ?             ?      
1 1 1 24 38 33 o 0.8621000      1.409000      ?             ?      
1 1 1 24 38 34 o 0.8425000E-01  1.470000      ?             ?      
1 1 1 24 38 35 o 1.255000       2.290000      ?             ?      
1 1 1 24 38 36 f -2.441000      2.280000      ?             ?      
1 1 1 24 38 37 o -1.482000      1.418000      ?             ?      
1 1 1 24 38 38 o 1.111000       1.139000      ?             ?      
1 1 1 24 38 39 o -0.8206000     1.003000      ?             ?      
1 1 1 24 38 40 o 0.1642000      0.9811000     ?             ?      
1 1 1 24 38 41 o 0.6588000      0.9770000     ?             ?      
1 1 1 24 38 42 o 0.7321000      0.9680000     ?             ?      
1 1 1 24 38 43 o -0.2856000     0.9645000     ?             ?      
1 1 1 24 38 44 o -0.7098000     0.9626000     ?             ?      
1 1 1 24 38 45 o -0.4037000     1.001000      ?             ?      
1 1 1 24 38 46 o 0.9488000      1.024000      ?             ?      
1 1 1 24 38 47 o 0.2703000      1.021000      ?             ?      
1 1 1 24 38 48 o 0.3250000      1.022000      ?             ?      
1 1 1 24 38 49 o -0.4818000     1.040000      ?             ?      
1 1 1 24 38 50 o -0.8052000     1.207000      ?             ?      
1 1 1 24 38 51 o 0.3359000      1.290000      ?             ?      
1 1 1 24 38 52 o -2.229000      1.210000      ?             ?      
1 1 1 24 38 53 o 0.1025000E-01  1.454000      ?             ?      
1 1 1 24 38 54 o -0.2820000     1.596000      ?             ?      
1 1 1 24 39 0  o 5.793000       1.304000      298.0396      0.0    
1 1 1 24 39 1  o 6.541000       0.9300000     430.1606      17.8   
1 1 1 24 39 2  o 2.546000       0.8982000     154.4136      166.3  
1 1 1 24 39 3  o 1.516000       0.9170000     241.2552      71.3   
1 1 1 24 39 4  o 7.078000       1.016000      392.0083      87.7   
1 1 1 24 39 5  o 3.178000       0.9830000     187.3358      47.6   
1 1 1 24 39 6  o 0.5924000      0.9612000     25.35383      -26.7  
1 1 1 24 39 7  o -2.387000      1.331000      111.5456      90.1   
1 1 1 24 39 8  o 3.211000       1.472000      187.6377      23.5   
1 1 1 24 39 9  o 4.141000       1.485000      239.5019      -21.2  
1 1 1 24 39 10 o -0.9796000     1.459000      157.2528      32.7   
1 1 1 24 39 11 o -1.531000      1.267000      27.77835      133.2  
1 1 1 24 39 12 o 2.024000       1.252000      213.9407      143.9  
1 1 1 24 39 13 o 1.597000       1.260000      200.8235      -159.0 
1 1 1 24 39 14 o 1.797000       1.532000      111.0783      51.2   
1 1 1 24 39 15 o -0.1817000     1.576000      73.13965      47.3   
1 1 1 24 39 16 o -0.3788000     1.375000      108.7647      -58.4  
1 1 1 24 39 17 o 10.39000       1.709000      436.1708      -172.7 
1 1 1 24 39 18 o 5.316000       1.669000      248.3126      178.0  
1 1 1 24 39 19 o -0.2274000     1.734000      254.1581      -68.1  
1 1 1 24 39 20 o 4.732000       2.317000      149.8562      -132.9 
1 1 1 24 39 21 o 3.585000       1.725000      156.5350      -114.0 
1 1 1 24 39 22 o -1.231000      1.355000      70.00933      53.0   
1 1 1 24 39 23 o 3.509000       1.371000      225.3403      107.7  
1 1 1 24 39 24 o -0.6413000E-01 1.343000      95.96231      -109.8 
1 1 1 24 39 25 o 2.060000       1.384000      120.8610      -156.4 
1 1 1 24 39 26 o 1.635000       1.419000      133.8941      -101.3 
1 1 1 24 39 27 o 0.7395000      1.355000      205.9053      74.1   
1 1 1 24 39 28 o 1.211000       1.354000      ?             ?      
1 1 1 24 39 29 o 4.764000       1.355000      ?             ?      
1 1 1 24 39 30 o 1.305000       1.310000      ?             ?      
1 1 1 24 39 31 o -0.5143000     1.351000      ?             ?      
1 1 1 24 39 32 o 3.622000       1.358000      ?             ?      
1 1 1 24 39 33 o 4.442000       1.693000      ?             ?      
1 1 1 24 39 34 o 0.1515000      1.312000      ?             ?      
1 1 1 24 39 35 o 0.9855000      1.450000      ?             ?      
1 1 1 24 39 36 o -0.8148000     1.482000      ?             ?      
1 1 1 24 39 37 o 1.005000       1.278000      ?             ?      
1 1 1 24 39 38 o 1.914000       1.427000      ?             ?      
1 1 1 24 39 39 o -1.079000      1.033000      ?             ?      
1 1 1 24 39 40 o 2.540000       0.9589000     ?             ?      
1 1 1 24 39 41 o -0.5185000     0.9660000     ?             ?      
1 1 1 24 39 42 o 1.207000       0.9591000     ?             ?      
1 1 1 24 39 43 o -0.6318000     0.9588000     ?             ?      
1 1 1 24 39 44 o 0.5027000E-02  0.9742000     ?             ?      
1 1 1 24 39 45 o 1.218000       1.013000      ?             ?      
1 1 1 24 39 46 o 0.6588000      1.013000      ?             ?      
1 1 1 24 39 47 o 0.6862000      1.023000      ?             ?      
1 1 1 24 39 48 o -1.600000      1.022000      ?             ?      
1 1 1 24 39 49 o -0.2715000     1.025000      ?             ?      
1 1 1 24 39 50 o -0.4351000     1.187000      ?             ?      
1 1 1 24 39 51 o 1.470000       1.314000      ?             ?      
1 1 1 24 39 52 o 1.338000       1.663000      ?             ?      
1 1 1 24 39 53 o 0.4517000      1.832000      ?             ?      
1 1 1 24 40 0  o 1.845000       1.292000      177.9499      -0.0   
1 1 1 24 40 1  o 5.173000       0.9502000     396.8657      87.4   
1 1 1 24 40 2  o 1.535000       0.9341000     172.3916      -156.7 
1 1 1 24 40 3  o -0.5591000     0.9584000     168.5256      -118.1 
1 1 1 24 40 4  o 3.974000       0.9744000     344.5364      179.2  
1 1 1 24 40 5  o 2.279000       1.003000      245.6892      12.5   
1 1 1 24 40 6  o 4.640000       1.022000      327.8175      54.8   
1 1 1 24 40 7  o 2.394000       1.386000      183.4034      -35.2  
1 1 1 24 40 8  o 7.784000       1.581000      476.0070      -179.3 
1 1 1 24 40 9  o -2.031000      1.525000      111.6633      -44.8  
1 1 1 24 40 10 o 0.3767000      1.550000      47.75834      -44.8  
1 1 1 24 40 11 o -1.580000      1.309000      115.3433      -124.3 
1 1 1 24 40 12 o 4.390000       1.321000      149.8843      120.0  
1 1 1 24 40 13 o 3.320000       1.564000      292.9842      131.7  
1 1 1 24 40 14 o 4.238000       1.587000      179.3863      -7.7   
1 1 1 24 40 15 o 0.6650000      1.605000      95.27660      -110.8 
1 1 1 24 40 16 o 2.737000       1.385000      192.0618      112.0  
1 1 1 24 40 17 o 10.61000       1.733000      406.0490      32.6   
1 1 1 24 40 18 o -0.3201000     1.627000      43.57340      39.9   
1 1 1 24 40 19 o 1.810000       2.253000      42.07030      -135.3 
1 1 1 24 40 20 o 7.616000       2.356000      341.7075      89.9   
1 1 1 24 40 21 o 2.487000       1.651000      214.2052      58.6   
1 1 1 24 40 22 o 4.486000       1.640000      320.6317      127.0  
1 1 1 24 40 23 o 2.339000       1.428000      117.1670      79.7   
1 1 1 24 40 24 o 0.4492000      1.409000      62.51815      112.0  
1 1 1 24 40 25 o 0.5080000      1.349000      93.70694      -179.6 
1 1 1 24 40 26 o 1.044000       1.356000      ?             ?      
1 1 1 24 40 27 o 4.581000       1.368000      ?             ?      
1 1 1 24 40 28 o -0.4841000     1.360000      ?             ?      
1 1 1 24 40 29 o 0.7875000      1.395000      ?             ?      
1 1 1 24 40 30 o 0.7856000      1.599000      ?             ?      
1 1 1 24 40 31 o 4.061000       1.629000      ?             ?      
1 1 1 24 40 32 o 1.178000       1.289000      ?             ?      
1 1 1 24 40 33 o 0.5744000      1.279000      ?             ?      
1 1 1 24 40 34 o -0.4175000     1.425000      ?             ?      
1 1 1 24 40 35 o -0.5777000     1.463000      ?             ?      
1 1 1 24 40 36 o 2.000000       1.314000      ?             ?      
1 1 1 24 40 37 o -1.039000      1.387000      ?             ?      
1 1 1 24 40 38 o 2.602000       1.352000      ?             ?      
1 1 1 24 40 39 o -0.7484000     1.188000      ?             ?      
1 1 1 24 40 40 o 0.7272000      1.241000      ?             ?      
1 1 1 24 40 41 o -0.1320000     0.9486000     ?             ?      
1 1 1 24 40 42 o 1.069000       0.9615000     ?             ?      
1 1 1 24 40 43 o 0.2294000      0.9609000     ?             ?      
1 1 1 24 40 44 o 0.5227000      0.9794000     ?             ?      
1 1 1 24 40 45 o -0.3480000     0.9947000     ?             ?      
1 1 1 24 40 46 o -0.8110000     1.009000      ?             ?      
1 1 1 24 40 47 o 0.2527000      1.044000      ?             ?      
1 1 1 24 40 48 o 0.7736000      1.029000      ?             ?      
1 1 1 24 40 49 o -0.2875000     1.042000      ?             ?      
1 1 1 24 40 50 o -1.636000      1.083000      ?             ?      
1 1 1 24 40 51 o -0.7925000E-01 1.286000      ?             ?      
1 1 1 24 40 52 o 1.751000       1.883000      ?             ?      
1 1 1 24 41 0  o 4.283000       1.323000      275.7348      0.0    
1 1 1 24 41 1  o 3.841000       0.9462000     262.9068      96.1   
1 1 1 24 41 2  o 12.47000       1.022000      510.3817      -147.5 
1 1 1 24 41 3  o 8.389000       1.001000      540.9404      73.9   
1 1 1 24 41 4  o 4.783000       0.9720000     270.0770      103.7  
1 1 1 24 41 5  o 2.660000       0.9903000     338.8959      -129.4 
1 1 1 24 41 6  o 1.576000       1.001000      186.3657      55.6   
1 1 1 24 41 7  o 2.204000       1.404000      141.9464      -12.3  
1 1 1 24 41 8  o 7.532000       1.636000      351.3314      -18.4  
1 1 1 24 41 9  o -2.204000      1.587000      113.7689      -86.5  
1 1 1 24 41 10 o 1.138000       1.577000      112.1689      -174.2 
1 1 1 24 41 11 o 3.128000       1.376000      224.4989      -87.1  
1 1 1 24 41 12 o 4.740000       1.376000      367.8334      -160.8 
1 1 1 24 41 13 o 0.8679000      1.547000      147.6844      46.6   
1 1 1 24 41 14 o 2.475000       1.579000      112.8057      67.3   
1 1 1 24 41 15 o 0.4120000      1.353000      120.0254      -100.1 
1 1 1 24 41 16 o -1.102000      1.573000      202.8644      118.2  
1 1 1 24 41 17 o 0.9586000E-01  1.599000      217.9345      -129.7 
1 1 1 24 41 18 o 0.3099000      1.625000      68.78567      -94.5  
1 1 1 24 41 19 o 0.2793000      2.200000      64.88566      -176.8 
1 1 1 24 41 20 o 5.341000       2.329000      344.1775      -172.3 
1 1 1 24 41 21 o 5.763000       1.686000      300.4128      -156.3 
1 1 1 24 41 22 o 1.390000       1.576000      180.9267      -138.4 
1 1 1 24 41 23 o 1.666000       1.603000      131.8282      -69.5  
1 1 1 24 41 24 o -0.6384000     1.342000      ?             ?      
1 1 1 24 41 25 o -0.5175000E-01 1.375000      ?             ?      
1 1 1 24 41 26 o 2.049000       1.396000      ?             ?      
1 1 1 24 41 27 o 5.876000       1.447000      ?             ?      
1 1 1 24 41 28 o 1.301000       1.620000      ?             ?      
1 1 1 24 41 29 o 0.3028000      1.321000      ?             ?      
1 1 1 24 41 30 o 1.001000       1.299000      ?             ?      
1 1 1 24 41 31 o 0.5867000      1.299000      ?             ?      
1 1 1 24 41 32 o -1.953000      1.257000      ?             ?      
1 1 1 24 41 33 o 0.2014000      1.271000      ?             ?      
1 1 1 24 41 34 o 3.442000       1.477000      ?             ?      
1 1 1 24 41 35 o -0.2794000     1.260000      ?             ?      
1 1 1 24 41 36 o 0.5744000      1.245000      ?             ?      
1 1 1 24 41 37 o 0.8584000      1.370000      ?             ?      
1 1 1 24 41 38 o -0.4976000     1.360000      ?             ?      
1 1 1 24 41 39 o 1.681000       1.190000      ?             ?      
1 1 1 24 41 40 o 0.3953000      1.194000      ?             ?      
1 1 1 24 41 41 o 1.317000       1.270000      ?             ?      
1 1 1 24 41 42 o 1.117000       0.9492000     ?             ?      
1 1 1 24 41 43 o -0.5326000     0.9612000     ?             ?      
1 1 1 24 41 44 o 2.674000       1.002000      ?             ?      
1 1 1 24 41 45 o 0.1840000      1.007000      ?             ?      
1 1 1 24 41 46 o 0.8326000      1.014000      ?             ?      
1 1 1 24 41 47 o -0.4571000     1.016000      ?             ?      
1 1 1 24 41 48 o -0.3789000     1.028000      ?             ?      
1 1 1 24 41 49 o 0.3799000      1.040000      ?             ?      
1 1 1 24 41 50 o 0.8479000      1.093000      ?             ?      
1 1 1 24 41 51 o -0.1108000     1.845000      ?             ?      
1 1 1 24 42 0  o 0.7657000      1.282000      106.6730      -180.0 
1 1 1 24 42 1  o 0.7891000      0.9191000     173.3114      163.0  
1 1 1 24 42 2  o -0.6783000E-01 0.9360000     154.1220      -63.9  
1 1 1 24 42 3  o -0.3938000     0.9467000     90.67698      -81.8  
1 1 1 24 42 4  o 3.301000       0.9580000     273.2231      -167.6 
1 1 1 24 42 5  o 1.884000       0.9738000     199.5439      -76.0  
1 1 1 24 42 6  o 4.883000       1.100000      240.2052      47.5   
1 1 1 24 42 7  o 5.843000       1.493000      327.8145      144.1  
1 1 1 24 42 8  o -2.333000      1.609000      131.6490      -133.1 
1 1 1 24 42 9  o 4.711000       1.668000      241.7663      29.0   
1 1 1 24 42 10 o 0.1836000      1.636000      54.24430      -159.5 
1 1 1 24 42 11 o 0.9241000      1.377000      175.2714      -87.9  
1 1 1 24 42 12 o 3.434000       1.607000      315.8614      94.0   
1 1 1 24 42 13 o 1.506000       2.106000      148.2231      -155.7 
1 1 1 24 42 14 o -0.7012000     1.606000      105.7223      -107.5 
1 1 1 24 42 15 o 1.255000       1.367000      102.6761      -9.9   
1 1 1 24 42 16 o 9.586000       1.448000      413.9817      66.9   
1 1 1 24 42 17 o -1.940000      1.573000      64.14388      -130.4 
1 1 1 24 42 18 o -0.1243000     2.202000      93.81675      -70.9  
1 1 1 24 42 19 o -1.502000      2.176000      121.8722      -121.3 
1 1 1 24 42 20 o -0.5306000     1.559000      165.7150      37.3   
1 1 1 24 42 21 o 0.1498000E-02  1.565000      ?             ?      
1 1 1 24 42 22 o 1.965000       1.591000      ?             ?      
1 1 1 24 42 23 o 1.636000       1.588000      ?             ?      
1 1 1 24 42 24 o 4.299000       1.680000      ?             ?      
1 1 1 24 42 25 o 3.189000       1.580000      ?             ?      
1 1 1 24 42 26 o 6.401000       1.618000      ?             ?      
1 1 1 24 42 27 o 2.751000       1.371000      ?             ?      
1 1 1 24 42 28 o 0.2389000      1.343000      ?             ?      
1 1 1 24 42 29 o -0.9256000     1.288000      ?             ?      
1 1 1 24 42 30 o -1.877000      1.294000      ?             ?      
1 1 1 24 42 31 o 1.861000       1.282000      ?             ?      
1 1 1 24 42 32 o 1.614000       1.278000      ?             ?      
1 1 1 24 42 33 o 0.8154000      1.429000      ?             ?      
1 1 1 24 42 34 o -0.5687000     1.416000      ?             ?      
1 1 1 24 42 35 o -0.2744000     1.231000      ?             ?      
1 1 1 24 42 36 o -1.113000      1.372000      ?             ?      
1 1 1 24 42 37 o -1.038000      1.354000      ?             ?      
1 1 1 24 42 38 o -1.059000      1.221000      ?             ?      
1 1 1 24 42 39 o -2.346000      1.216000      ?             ?      
1 1 1 24 42 40 o 2.696000       1.218000      ?             ?      
1 1 1 24 42 41 o 2.756000       1.215000      ?             ?      
1 1 1 24 42 42 o -0.1243000E-01 1.274000      ?             ?      
1 1 1 24 42 43 o 0.2931000E-01  0.9813000     ?             ?      
1 1 1 24 42 44 o 1.173000       0.9896000     ?             ?      
1 1 1 24 42 45 o 0.9493000E-01  1.015000      ?             ?      
1 1 1 24 42 46 o 0.5156000      1.020000      ?             ?      
1 1 1 24 42 47 o 0.1394000      1.022000      ?             ?      
1 1 1 24 42 48 o -2.122000      1.025000      ?             ?      
1 1 1 24 42 49 o -0.5427000     1.063000      ?             ?      
1 1 1 24 42 50 o 0.6595000      1.232000      ?             ?      
1 1 1 24 43 0  o -0.2928000     1.262000      27.32868      -0.0   
1 1 1 24 43 1  o 0.3460000      0.9132000     110.5175      150.4  
1 1 1 24 43 2  o 0.4087000E-01  0.9276000     137.3398      130.5  
1 1 1 24 43 3  o 14.84000       1.234000      525.6630      73.6   
1 1 1 24 43 4  o 4.476000       0.9738000     347.6188      -90.2  
1 1 1 24 43 5  o 2.651000       1.009000      388.0311      -138.5 
1 1 1 24 43 6  o 0.1634000      1.005000      214.8222      -35.9  
1 1 1 24 43 7  o 2.622000       1.094000      183.2343      74.5   
1 1 1 24 43 8  o 4.068000       1.650000      222.0362      -146.1 
1 1 1 24 43 9  o 3.106000       1.614000      251.2155      -91.4  
1 1 1 24 43 10 o 3.891000       1.676000      220.8757      140.2  
1 1 1 24 43 11 o 0.1147000      1.691000      269.8393      -41.3  
1 1 1 24 43 12 o -2.195000      1.554000      106.6492      -45.0  
1 1 1 24 43 13 o 3.195000       1.568000      199.7207      89.4   
1 1 1 24 43 14 o 0.1827000      1.332000      78.38223      -157.6 
1 1 1 24 43 15 o 0.6348000      1.407000      137.6147      -41.5  
1 1 1 24 43 16 o 0.6219000      1.436000      87.67364      161.9  
1 1 1 24 43 17 o 2.260000       1.599000      153.8402      -143.9 
1 1 1 24 43 18 o 8.796000       2.318000      ?             ?      
1 1 1 24 43 19 o -1.042000      2.232000      ?             ?      
1 1 1 24 43 20 o 0.6347000      1.573000      ?             ?      
1 1 1 24 43 21 o 2.324000       1.652000      ?             ?      
1 1 1 24 43 22 o 4.985000       1.618000      ?             ?      
1 1 1 24 43 23 o 5.374000       1.584000      ?             ?      
1 1 1 24 43 24 o 0.2950000      1.534000      ?             ?      
1 1 1 24 43 25 o -0.4119000     1.539000      ?             ?      
1 1 1 24 43 26 o 0.1029000      1.326000      ?             ?      
1 1 1 24 43 27 o 0.9225000      1.312000      ?             ?      
1 1 1 24 43 28 o -0.4072000E-01 1.304000      ?             ?      
1 1 1 24 43 29 o 1.857000       1.286000      ?             ?      
1 1 1 24 43 30 o -1.168000      1.265000      ?             ?      
1 1 1 24 43 31 o 0.5871000      1.258000      ?             ?      
1 1 1 24 43 32 o 0.8187000      1.473000      ?             ?      
1 1 1 24 43 33 o 3.226000       1.497000      ?             ?      
1 1 1 24 43 34 o -0.8488000     1.255000      ?             ?      
1 1 1 24 43 35 o 0.9228000      1.233000      ?             ?      
1 1 1 24 43 36 o 0.9799000      1.379000      ?             ?      
1 1 1 24 43 37 o 0.8022000      1.382000      ?             ?      
1 1 1 24 43 38 o 0.8808000      1.226000      ?             ?      
1 1 1 24 43 39 o -0.2275000     1.252000      ?             ?      
1 1 1 24 43 40 o 0.8712000      1.245000      ?             ?      
1 1 1 24 43 41 o 1.032000       1.240000      ?             ?      
1 1 1 24 43 42 o 1.506000       1.234000      ?             ?      
1 1 1 24 43 43 o 1.362000       1.258000      ?             ?      
1 1 1 24 43 44 o -0.6704000     1.325000      ?             ?      
1 1 1 24 43 45 o 1.150000       0.9997000     ?             ?      
1 1 1 24 43 46 o -0.4807000     1.002000      ?             ?      
1 1 1 24 43 47 o 1.101000       1.034000      ?             ?      
1 1 1 24 43 48 o -0.1751000     1.039000      ?             ?      
1 1 1 24 43 49 o -0.8019000     1.879000      ?             ?      
1 1 1 24 44 0  o 1.667000       1.271000      8.331787      -0.0   
1 1 1 24 44 1  o 1.953000       0.9198000     123.7076      -132.5 
1 1 1 24 44 2  o -0.6890000     0.9169000     24.47339      -59.3  
1 1 1 24 44 3  o 2.263000       0.9437000     261.3658      166.1  
1 1 1 24 44 4  o 2.242000       0.9615000     390.4047      -61.5  
1 1 1 24 44 5  o 0.6708000      0.9883000     187.8431      -21.1  
1 1 1 24 44 6  o 2.116000       0.9953000     198.0511      -108.2 
1 1 1 24 44 7  o 0.7856000      1.077000      180.9123      -96.6  
1 1 1 24 44 8  o -1.192000      1.573000      89.45336      -128.3 
1 1 1 24 44 9  o -0.2136000     1.560000      45.53075      173.6  
1 1 1 24 44 10 o 4.169000       1.668000      236.7869      50.9   
1 1 1 24 44 11 o 0.1675000      1.643000      246.1871      -31.5  
1 1 1 24 44 12 o 2.263000       1.664000      186.0083      88.7   
1 1 1 24 44 13 o -0.8074000     1.397000      31.82216      -120.3 
1 1 1 24 44 14 o -0.1788000     1.299000      118.4090      18.5   
1 1 1 24 44 15 o 2.754000       1.330000      ?             ?      
1 1 1 24 44 16 o 1.653000       1.331000      ?             ?      
1 1 1 24 44 17 o -2.359000      2.166000      ?             ?      
1 1 1 24 44 18 o -3.443000      2.159000      ?             ?      
1 1 1 24 44 19 o -2.063000      1.570000      ?             ?      
1 1 1 24 44 20 o 4.106000       1.581000      ?             ?      
1 1 1 24 44 21 o 1.815000       1.521000      ?             ?      
1 1 1 24 44 22 o -0.4390000     1.523000      ?             ?      
1 1 1 24 44 23 o -0.8033000     1.489000      ?             ?      
1 1 1 24 44 24 o 2.406000       1.533000      ?             ?      
1 1 1 24 44 25 o -0.2202000     1.591000      ?             ?      
1 1 1 24 44 26 f 0.3827000      1.567000      ?             ?      
1 1 1 24 44 27 o 2.283000       1.321000      ?             ?      
1 1 1 24 44 28 o 0.5594000E-01  1.272000      ?             ?      
1 1 1 24 44 29 o -2.200000      1.278000      ?             ?      
1 1 1 24 44 30 o 1.116000       1.266000      ?             ?      
1 1 1 24 44 31 o 1.182000       1.284000      ?             ?      
1 1 1 24 44 32 o -2.127000      1.481000      ?             ?      
1 1 1 24 44 33 o 0.1739000E-02  1.291000      ?             ?      
1 1 1 24 44 34 o 0.8910000      1.296000      ?             ?      
1 1 1 24 44 35 o -0.9472000     1.449000      ?             ?      
1 1 1 24 44 36 o 0.7261000      1.399000      ?             ?      
1 1 1 24 44 37 o -0.8328000     1.221000      ?             ?      
1 1 1 24 44 38 o 0.8873000      1.234000      ?             ?      
1 1 1 24 44 39 o -0.1317000     1.219000      ?             ?      
1 1 1 24 44 40 o 2.040000       1.252000      ?             ?      
1 1 1 24 44 41 o -0.8752000     1.253000      ?             ?      
1 1 1 24 44 42 o 1.026000       1.264000      ?             ?      
1 1 1 24 44 43 o 1.281000       1.250000      ?             ?      
1 1 1 24 44 44 o -0.9932000     1.241000      ?             ?      
1 1 1 24 44 45 o -0.9972000     1.339000      ?             ?      
1 1 1 24 44 46 o -0.6656000     1.007000      ?             ?      
1 1 1 24 44 47 o -0.6061000     1.014000      ?             ?      
1 1 1 24 44 48 o 2.336000       1.248000      ?             ?      
1 1 1 24 45 0  o 1.592000       1.291000      195.1584      0.0    
1 1 1 24 45 1  o -1.602000      0.9192000     74.67926      11.4   
1 1 1 24 45 2  o -0.3647000     0.9195000     121.6192      -53.1  
1 1 1 24 45 3  o 1.556000       0.9415000     295.5681      60.6   
1 1 1 24 45 4  o 1.750000       0.9252000     199.8889      -97.5  
1 1 1 24 45 5  o 0.4716000      0.9699000     150.3041      39.7   
1 1 1 24 45 6  o 2.090000       1.036000      130.6669      34.4   
1 1 1 24 45 7  o 4.492000       1.086000      252.8338      24.0   
1 1 1 24 45 8  o -0.2204000     1.556000      142.5533      -130.5 
1 1 1 24 45 9  o 1.438000       1.629000      137.8374      164.6  
1 1 1 24 45 10 o 5.093000       2.172000      ?             ?      
1 1 1 24 45 11 o 1.578000       1.580000      ?             ?      
1 1 1 24 45 12 o 0.4324000      1.498000      ?             ?      
1 1 1 24 45 13 o 0.4672000      1.290000      ?             ?      
1 1 1 24 45 14 o 0.5233000      1.278000      ?             ?      
1 1 1 24 45 15 o 0.3854000      1.299000      ?             ?      
1 1 1 24 45 16 o 1.695000       1.386000      ?             ?      
1 1 1 24 45 17 o 1.197000       2.160000      ?             ?      
1 1 1 24 45 18 o -0.8011000     2.101000      ?             ?      
1 1 1 24 45 19 o -0.4760000     1.468000      ?             ?      
1 1 1 24 45 20 o -0.7405000     1.475000      ?             ?      
1 1 1 24 45 21 o -2.029000      1.502000      ?             ?      
1 1 1 24 45 22 o -1.303000      1.473000      ?             ?      
1 1 1 24 45 23 o -1.021000      1.496000      ?             ?      
1 1 1 24 45 24 o 3.673000       1.581000      ?             ?      
1 1 1 24 45 25 o 0.2691000      1.048000      ?             ?      
1 1 1 24 45 26 o 2.834000       1.581000      ?             ?      
1 1 1 24 45 27 o -0.7058000     1.564000      ?             ?      
1 1 1 24 45 28 o -0.1467000     1.605000      ?             ?      
1 1 1 24 45 29 o 0.9860000      1.272000      ?             ?      
1 1 1 24 45 30 o 0.7478000      1.317000      ?             ?      
1 1 1 24 45 31 o 0.5365000      1.539000      ?             ?      
1 1 1 24 45 32 o 3.445000       1.562000      ?             ?      
1 1 1 24 45 33 o 2.122000       1.299000      ?             ?      
1 1 1 24 45 34 o 0.8562000      1.292000      ?             ?      
1 1 1 24 45 35 f -0.4269000     1.454000      ?             ?      
1 1 1 24 45 36 o -0.5478000     1.460000      ?             ?      
1 1 1 24 45 37 o -0.8096000     1.254000      ?             ?      
1 1 1 24 45 38 o -0.4584000     1.223000      ?             ?      
1 1 1 24 45 39 o 0.3092000      1.233000      ?             ?      
1 1 1 24 45 40 o 1.230000       1.251000      ?             ?      
1 1 1 24 45 41 o 0.4381000      1.240000      ?             ?      
1 1 1 24 45 42 o 0.2762000      1.259000      ?             ?      
1 1 1 24 45 43 o -0.6984000     1.248000      ?             ?      
1 1 1 24 45 44 o 0.4986000      1.250000      ?             ?      
1 1 1 24 45 45 o 1.330000       1.260000      ?             ?      
1 1 1 24 45 46 o -0.3437000     1.264000      ?             ?      
1 1 1 24 46 0  o 1.087000       1.273000      ?             ?      
1 1 1 24 46 1  o 0.5584000      0.9138000     ?             ?      
1 1 1 24 46 2  o -0.5753000     0.9083000     ?             ?      
1 1 1 24 46 3  o 0.3042000      1.012000      ?             ?      
1 1 1 24 46 4  o -0.7783000     0.9875000     ?             ?      
1 1 1 24 46 5  o -0.5264000     0.8976000     ?             ?      
1 1 1 24 46 6  o 1.554000       0.9507000     ?             ?      
1 1 1 24 46 7  o -0.9180000     0.9774000     ?             ?      
1 1 1 24 46 8  o -0.6098000     1.378000      ?             ?      
1 1 1 24 46 9  o 0.6260000      1.603000      ?             ?      
1 1 1 24 46 10 o -2.502000      2.033000      ?             ?      
1 1 1 24 46 11 o 2.098000       1.562000      ?             ?      
1 1 1 24 46 12 o -2.213000      1.261000      ?             ?      
1 1 1 24 46 13 o -1.410000      1.275000      ?             ?      
1 1 1 24 46 14 o -0.5268000     1.279000      ?             ?      
1 1 1 24 46 15 o 2.742000       1.292000      ?             ?      
1 1 1 24 46 16 o -0.4604000E-01 1.550000      ?             ?      
1 1 1 24 46 17 o 0.2006000      2.067000      ?             ?      
1 1 1 24 46 18 o -0.1428000     1.504000      ?             ?      
1 1 1 24 46 19 o -1.381000      1.471000      ?             ?      
1 1 1 24 46 20 o 1.266000       1.473000      ?             ?      
1 1 1 24 46 21 o 1.819000       1.480000      ?             ?      
1 1 1 24 46 22 o -3.790000      1.499000      ?             ?      
1 1 1 24 46 23 o 1.696000       1.568000      ?             ?      
1 1 1 24 46 24 o 2.038000       1.570000      ?             ?      
1 1 1 24 46 25 o 0.8043000      1.556000      ?             ?      
1 1 1 24 46 26 o -0.7914000     1.570000      ?             ?      
1 1 1 24 46 27 o 1.896000       1.560000      ?             ?      
1 1 1 24 46 28 o -0.3459000     1.568000      ?             ?      
1 1 1 24 46 29 o -1.303000      1.594000      ?             ?      
1 1 1 24 46 30 o -0.6691000E-01 1.539000      ?             ?      
1 1 1 24 46 31 o -0.7858000     1.547000      ?             ?      
1 1 1 24 46 32 o -1.133000      1.305000      ?             ?      
1 1 1 24 46 33 o -0.6633000     1.291000      ?             ?      
1 1 1 24 46 34 o -0.1729000     1.519000      ?             ?      
1 1 1 24 46 35 o 1.110000       1.501000      ?             ?      
1 1 1 24 46 36 o 0.2463000      1.279000      ?             ?      
1 1 1 24 46 37 o 1.832000       1.288000      ?             ?      
1 1 1 24 46 38 o 2.047000       1.286000      ?             ?      
1 1 1 24 46 39 o -0.1687000     1.266000      ?             ?      
1 1 1 24 46 40 o 0.8197000      1.249000      ?             ?      
1 1 1 24 46 41 o 0.2329000      1.250000      ?             ?      
1 1 1 24 46 42 o 0.7393000      1.242000      ?             ?      
1 1 1 24 46 43 o 0.5210000      1.255000      ?             ?      
1 1 1 24 46 44 f 1.282000       1.285000      ?             ?      
1 1 1 24 46 45 o 0.4701000      2.282000      ?             ?      
1 1 1 24 47 0  o 0.1354000      1.588000      ?             ?      
1 1 1 24 47 1  o 1.456000       1.012000      ?             ?      
1 1 1 24 47 2  o 0.1816000      0.8794000     ?             ?      
1 1 1 24 47 3  o 2.221000       0.9293000     ?             ?      
1 1 1 24 47 4  o 1.585000       0.9238000     ?             ?      
1 1 1 24 47 5  o -0.4416000     0.8807000     ?             ?      
1 1 1 24 47 6  o 0.1522000      0.9224000     ?             ?      
1 1 1 24 47 7  o 0.3881000E-03  0.9592000     ?             ?      
1 1 1 24 47 8  o -0.5414000     1.354000      ?             ?      
1 1 1 24 47 9  o 0.1798000      1.995000      ?             ?      
1 1 1 24 47 10 o 3.379000       2.512000      ?             ?      
1 1 1 24 47 11 o 0.3416000      1.428000      ?             ?      
1 1 1 24 47 12 o 1.766000       1.235000      ?             ?      
1 1 1 24 47 13 o 4.582000       1.270000      ?             ?      
1 1 1 24 47 14 o 1.306000       1.243000      ?             ?      
1 1 1 24 47 15 o -0.1662000     1.262000      ?             ?      
1 1 1 24 47 16 o 0.3282000E-01  1.500000      ?             ?      
1 1 1 24 47 17 o 1.087000       2.018000      ?             ?      
1 1 1 24 47 18 o -0.5136000     1.470000      ?             ?      
1 1 1 24 47 19 o -0.9719000     1.453000      ?             ?      
1 1 1 24 47 20 o 2.672000       1.470000      ?             ?      
1 1 1 24 47 21 o 0.5649000      1.488000      ?             ?      
1 1 1 24 47 22 o -2.030000      1.513000      ?             ?      
1 1 1 24 47 23 o -0.3422000     1.579000      ?             ?      
1 1 1 24 47 24 o -1.251000      1.575000      ?             ?      
1 1 1 24 47 25 o 0.8796000      1.574000      ?             ?      
1 1 1 24 47 26 o 0.6984000E-01  1.596000      ?             ?      
1 1 1 24 47 27 f -1.468000      1.553000      ?             ?      
1 1 1 24 47 28 o -1.214000      1.561000      ?             ?      
1 1 1 24 47 29 o 0.3082000      1.581000      ?             ?      
1 1 1 24 47 30 o -2.939000      2.173000      ?             ?      
1 1 1 24 47 31 o 2.910000       1.626000      ?             ?      
1 1 1 24 47 32 o 1.551000       1.334000      ?             ?      
1 1 1 24 47 33 o -0.2385000     1.330000      ?             ?      
1 1 1 24 47 34 o 0.9153000      1.023000      ?             ?      
1 1 1 24 47 35 o 2.166000       1.529000      ?             ?      
1 1 1 24 47 36 o 0.2013000E-01  1.299000      ?             ?      
1 1 1 24 47 37 o 1.916000       1.327000      ?             ?      
1 1 1 24 47 38 o 0.3492000      1.321000      ?             ?      
1 1 1 24 47 39 o -1.475000      1.316000      ?             ?      
1 1 1 24 47 40 o 1.942000       1.283000      ?             ?      
1 1 1 24 47 41 o 0.3215000      1.234000      ?             ?      
1 1 1 24 47 42 o 0.5794000      1.256000      ?             ?      
1 1 1 24 47 43 o 0.2145000      1.255000      ?             ?      
1 1 1 24 47 44 o -4.037000      1.739000      ?             ?      
1 1 1 24 48 0  o 1.190000       1.307000      ?             ?      
1 1 1 24 48 1  o 0.3817000      0.9007000     ?             ?      
1 1 1 24 48 2  o -0.1974000     0.9821000     ?             ?      
1 1 1 24 48 3  o -0.9333000E-01 0.9807000     ?             ?      
1 1 1 24 48 4  o 0.9093000      0.8750000     ?             ?      
1 1 1 24 48 5  o 0.9521000      0.8820000     ?             ?      
1 1 1 24 48 6  o 2.615000       1.049000      ?             ?      
1 1 1 24 48 7  o 1.432000       1.087000      ?             ?      
1 1 1 24 48 8  o -1.597000      1.897000      ?             ?      
1 1 1 24 48 9  o -3.051000      1.926000      ?             ?      
1 1 1 24 48 10 o 2.774000       1.994000      ?             ?      
1 1 1 24 48 11 o 1.461000       1.297000      ?             ?      
1 1 1 24 48 12 o 0.2185000      1.209000      ?             ?      
1 1 1 24 48 13 o -0.3305000E-01 1.212000      ?             ?      
1 1 1 24 48 14 o -1.600000      1.239000      ?             ?      
1 1 1 24 48 15 o -0.7479000     1.493000      ?             ?      
1 1 1 24 48 16 o 1.431000       1.462000      ?             ?      
1 1 1 24 48 17 o -2.068000      1.464000      ?             ?      
1 1 1 24 48 18 o -1.011000      1.433000      ?             ?      
1 1 1 24 48 19 o 2.475000       1.449000      ?             ?      
1 1 1 24 48 20 o -0.4207000     1.476000      ?             ?      
1 1 1 24 48 21 o 0.7047000      1.529000      ?             ?      
1 1 1 24 48 22 f 3.153000       1.542000      ?             ?      
1 1 1 24 48 23 o 1.435000       1.565000      ?             ?      
1 1 1 24 48 24 o 0.6277000      1.559000      ?             ?      
1 1 1 24 48 25 o 0.8708000      1.575000      ?             ?      
1 1 1 24 48 26 o 1.441000       1.566000      ?             ?      
1 1 1 24 48 27 o -2.040000      1.555000      ?             ?      
1 1 1 24 48 28 o 0.6740000      1.604000      ?             ?      
1 1 1 24 48 29 o 1.436000       2.177000      ?             ?      
1 1 1 24 48 30 o -0.5614000     2.213000      ?             ?      
1 1 1 24 48 31 o -3.569000      1.604000      ?             ?      
1 1 1 24 48 32 o -0.7171000E-02 1.627000      ?             ?      
1 1 1 24 48 33 o 0.8059000E-01  1.549000      ?             ?      
1 1 1 24 48 34 o 1.507000       1.573000      ?             ?      
1 1 1 24 48 35 o 0.7041000      1.323000      ?             ?      
1 1 1 24 48 36 o 0.7745000      1.315000      ?             ?      
1 1 1 24 48 37 o 1.857000       1.335000      ?             ?      
1 1 1 24 48 38 o 0.6896000      1.326000      ?             ?      
1 1 1 24 48 39 o -0.5471000     1.296000      ?             ?      
1 1 1 24 48 40 o 0.6010000      1.307000      ?             ?      
1 1 1 24 48 41 o 0.5926000      1.301000      ?             ?      
1 1 1 24 48 42 o -0.4365000     1.684000      ?             ?      
1 1 1 24 48 43 < 0.000000       -1.000000     ?             ?      
1 1 1 24 49 0  o 0.3373000      1.202000      ?             ?      
1 1 1 24 49 1  o 0.9988000      0.8584000     ?             ?      
1 1 1 24 49 2  o 1.621000       0.8853000     ?             ?      
1 1 1 24 49 3  o -0.5140000     0.9331000     ?             ?      
1 1 1 24 49 4  o 0.1105000      0.9264000     ?             ?      
1 1 1 24 49 5  o 0.2834000      0.9737000     ?             ?      
1 1 1 24 49 6  o -0.2608000     1.047000      ?             ?      
1 1 1 24 49 7  o -0.6644000     1.243000      ?             ?      
1 1 1 24 49 8  o -0.7865000     1.852000      ?             ?      
1 1 1 24 49 9  o 0.7216000      1.969000      ?             ?      
1 1 1 24 49 10 o 0.1199000      1.554000      ?             ?      
1 1 1 24 49 11 o -0.7663000     1.234000      ?             ?      
1 1 1 24 49 12 o 2.057000       1.183000      ?             ?      
1 1 1 24 49 13 o 2.056000       1.225000      ?             ?      
1 1 1 24 49 14 o 2.088000       1.261000      ?             ?      
1 1 1 24 49 15 o -0.2917000     1.479000      ?             ?      
1 1 1 24 49 16 o 0.6760000      1.447000      ?             ?      
1 1 1 24 49 17 o 0.6649000      1.449000      ?             ?      
1 1 1 24 49 18 o 0.8337000      1.448000      ?             ?      
1 1 1 24 49 19 o -1.299000      1.473000      ?             ?      
1 1 1 24 49 20 o 2.308000       1.506000      ?             ?      
1 1 1 24 49 21 o -0.8757000     1.550000      ?             ?      
1 1 1 24 49 22 o -1.412000      1.525000      ?             ?      
1 1 1 24 49 23 o -1.742000      1.532000      ?             ?      
1 1 1 24 49 24 o 0.7044000E-02  1.525000      ?             ?      
1 1 1 24 49 25 o 0.5346000      1.548000      ?             ?      
1 1 1 24 49 26 o 1.227000       1.564000      ?             ?      
1 1 1 24 49 27 o 0.3719000      1.547000      ?             ?      
1 1 1 24 49 28 o -2.159000      1.609000      ?             ?      
1 1 1 24 49 29 o 0.4536000      2.184000      ?             ?      
1 1 1 24 49 30 o -1.389000      1.603000      ?             ?      
1 1 1 24 49 31 o 0.1674000E-01  1.613000      ?             ?      
1 1 1 24 49 32 o -0.2264000     1.622000      ?             ?      
1 1 1 24 49 33 o 0.8685000      2.226000      ?             ?      
1 1 1 24 49 34 o -0.5023000     1.595000      ?             ?      
1 1 1 24 49 35 o 0.4746000E-01  1.327000      ?             ?      
1 1 1 24 49 36 o 1.079000       1.349000      ?             ?      
1 1 1 24 49 37 o 0.4198000      1.356000      ?             ?      
1 1 1 24 49 38 o 1.361000       1.338000      ?             ?      
1 1 1 24 49 39 o 0.1478000      1.323000      ?             ?      
1 1 1 24 49 40 o -0.6565000     1.314000      ?             ?      
1 1 1 24 49 41 o -3.293000      3.195000      ?             ?      
1 1 1 24 50 0  o 0.8662000      1.316000      ?             ?      
1 1 1 24 50 1  o 1.682000       0.8840000     ?             ?      
1 1 1 24 50 2  o 1.194000       0.8427000     ?             ?      
1 1 1 24 50 3  o -0.3529000     0.8365000     ?             ?      
1 1 1 24 50 4  o 0.4791000E-01  0.9573000     ?             ?      
1 1 1 24 50 5  o 0.6598000      1.061000      ?             ?      
1 1 1 24 50 6  f -0.5583000     0.9023000     ?             ?      
1 1 1 24 50 7  o 0.1550000      0.9920000     ?             ?      
1 1 1 24 50 8  o 1.663000       1.918000      ?             ?      
1 1 1 24 50 9  o -0.3025000     2.093000      ?             ?      
1 1 1 24 50 10 o -1.207000      1.506000      ?             ?      
1 1 1 24 50 11 o -1.438000      1.222000      ?             ?      
1 1 1 24 50 12 o 0.2879000      1.170000      ?             ?      
1 1 1 24 50 13 o -0.9337000     1.192000      ?             ?      
1 1 1 24 50 14 o -1.587000      1.219000      ?             ?      
1 1 1 24 50 15 o 0.8248000      1.442000      ?             ?      
1 1 1 24 50 16 o 0.9876000      1.458000      ?             ?      
1 1 1 24 50 17 o -0.4345000     1.422000      ?             ?      
1 1 1 24 50 18 o -3.830000      1.459000      ?             ?      
1 1 1 24 50 19 o 1.823000       1.525000      ?             ?      
1 1 1 24 50 20 o 0.6785000      1.490000      ?             ?      
1 1 1 24 50 21 o -0.3306000     1.508000      ?             ?      
1 1 1 24 50 22 o -0.2515000     1.501000      ?             ?      
1 1 1 24 50 23 o 0.4684000      1.519000      ?             ?      
1 1 1 24 50 24 o 0.4590000      1.537000      ?             ?      
1 1 1 24 50 25 o -0.8923000     1.532000      ?             ?      
1 1 1 24 50 26 o -0.5659000     1.535000      ?             ?      
1 1 1 24 50 27 o 2.199000       1.574000      ?             ?      
1 1 1 24 50 28 o -1.101000      2.204000      ?             ?      
1 1 1 24 50 29 o 1.944000       2.185000      ?             ?      
1 1 1 24 50 30 o 0.1951000      1.614000      ?             ?      
1 1 1 24 50 31 o -1.250000      1.657000      ?             ?      
1 1 1 24 50 32 o 1.742000       2.298000      ?             ?      
1 1 1 24 50 33 o 0.4340000      4.488000      ?             ?      
1 1 1 24 50 34 o -1.356000      1.641000      ?             ?      
1 1 1 24 50 35 o -0.6678000     1.054000      ?             ?      
1 1 1 24 50 36 o -0.2959000     1.378000      ?             ?      
1 1 1 24 50 37 o 0.5105000      1.348000      ?             ?      
1 1 1 24 50 38 o 0.3353000      1.350000      ?             ?      
1 1 1 24 50 39 o 0.8641000      1.675000      ?             ?      
1 1 1 24 51 0  o 0.6280000      1.402000      ?             ?      
1 1 1 24 51 1  o 1.083000       0.9292000     ?             ?      
1 1 1 24 51 2  o 0.6634000      0.8541000     ?             ?      
1 1 1 24 51 3  o 1.002000       0.8630000     ?             ?      
1 1 1 24 51 4  o -0.3122000E-01 0.8392000     ?             ?      
1 1 1 24 51 5  o 0.4223000E-02  0.8238000     ?             ?      
1 1 1 24 51 6  o -1.105000      0.8784000     ?             ?      
1 1 1 24 51 7  o 0.2271000      0.9478000     ?             ?      
1 1 1 24 51 8  o -0.3108000     1.918000      ?             ?      
1 1 1 24 51 9  o 0.6160000      1.999000      ?             ?      
1 1 1 24 51 10 o -0.5936000     1.992000      ?             ?      
1 1 1 24 51 11 o -0.6298000     1.221000      ?             ?      
1 1 1 24 51 12 o -0.1776000     1.182000      ?             ?      
1 1 1 24 51 13 o 0.3236000      1.184000      ?             ?      
1 1 1 24 51 14 o 2.501000       1.415000      ?             ?      
1 1 1 24 51 15 o 0.5449000      1.430000      ?             ?      
1 1 1 24 51 16 o 1.637000       1.217000      ?             ?      
1 1 1 24 51 17 o 0.3681000      1.504000      ?             ?      
1 1 1 24 51 18 o 0.8280000      1.490000      ?             ?      
1 1 1 24 51 19 f 1.311000       1.503000      ?             ?      
1 1 1 24 51 20 o -2.430000      1.481000      ?             ?      
1 1 1 24 51 21 o 0.8261000E-01  1.531000      ?             ?      
1 1 1 24 51 22 o -0.5517000     1.492000      ?             ?      
1 1 1 24 51 23 f 0.6222000      1.550000      ?             ?      
1 1 1 24 51 24 o 2.672000       1.544000      ?             ?      
1 1 1 24 51 25 o 2.096000       1.540000      ?             ?      
1 1 1 24 51 26 o -1.119000      1.543000      ?             ?      
1 1 1 24 51 27 o -1.315000      2.112000      ?             ?      
1 1 1 24 51 28 o 0.7724000      2.191000      ?             ?      
1 1 1 24 51 29 o 0.5894000E-01  1.631000      ?             ?      
1 1 1 24 51 30 o -1.121000      1.596000      ?             ?      
1 1 1 24 51 31 o 1.423000       1.671000      ?             ?      
1 1 1 24 51 32 o 4.624000       4.523000      ?             ?      
1 1 1 24 51 33 o 0.2700000E-01  2.302000      ?             ?      
1 1 1 24 51 34 o -0.5834000     1.645000      ?             ?      
1 1 1 24 51 35 o -1.232000      1.666000      ?             ?      
1 1 1 24 51 36 o -2.480000      1.633000      ?             ?      
1 1 1 24 51 37 o 1.082000       1.684000      ?             ?      
1 1 1 24 51 38 o 0.5422000      2.178000      ?             ?      
1 1 1 24 52 0  o -2.737000      1.129000      ?             ?      
1 1 1 24 52 1  o 0.4728000      0.8170000     ?             ?      
1 1 1 24 52 2  o -0.3630000     0.8842000     ?             ?      
1 1 1 24 52 3  o -0.4274000     0.8705000     ?             ?      
1 1 1 24 52 4  o -0.1125000E-01 0.8037000     ?             ?      
1 1 1 24 52 5  o -0.3518000     0.8123000     ?             ?      
1 1 1 24 52 6  o 0.8222000      0.8928000     ?             ?      
1 1 1 24 52 7  o 0.9178000      1.360000      ?             ?      
1 1 1 24 52 8  o -3.355000      1.571000      ?             ?      
1 1 1 24 52 9  o -0.8438000     1.495000      ?             ?      
1 1 1 24 52 10 o 2.198000       1.470000      ?             ?      
1 1 1 24 52 11 o 2.667000       1.217000      ?             ?      
1 1 1 24 52 12 o -1.685000      1.371000      ?             ?      
1 1 1 24 52 13 o 0.2366000      1.394000      ?             ?      
1 1 1 24 52 14 o 0.7405000      1.397000      ?             ?      
1 1 1 24 52 15 o -0.1241000     1.410000      ?             ?      
1 1 1 24 52 16 o 0.6457000E-01  1.238000      ?             ?      
1 1 1 24 52 17 o -0.1558000     1.494000      ?             ?      
1 1 1 24 52 18 o -1.748000      1.499000      ?             ?      
1 1 1 24 52 19 o -1.958000      1.483000      ?             ?      
1 1 1 24 52 20 o -0.9161000     1.510000      ?             ?      
1 1 1 24 52 21 o 0.2550000      1.533000      ?             ?      
1 1 1 24 52 22 o 2.774000       1.542000      ?             ?      
1 1 1 24 52 23 o 1.180000       1.521000      ?             ?      
1 1 1 24 52 24 o -1.013000      1.509000      ?             ?      
1 1 1 24 52 25 o -0.2818000     1.537000      ?             ?      
1 1 1 24 52 26 o 2.106000       1.600000      ?             ?      
1 1 1 24 52 27 o 1.157000       2.150000      ?             ?      
1 1 1 24 52 28 o 1.013000       2.180000      ?             ?      
1 1 1 24 52 29 o -1.052000      1.614000      ?             ?      
1 1 1 24 52 30 o 1.491000       1.629000      ?             ?      
1 1 1 24 52 31 o 1.844000       2.318000      ?             ?      
1 1 1 24 52 32 o -0.9554000E-01 2.303000      ?             ?      
1 1 1 24 52 33 o 0.9402000      1.681000      ?             ?      
1 1 1 24 52 34 o 0.3004000      1.659000      ?             ?      
1 1 1 24 52 35 o 2.279000       1.692000      ?             ?      
1 1 1 24 52 36 o 1.528000       3.129000      ?             ?      
1 1 1 24 53 0  o 0.4046000      1.122000      ?             ?      
1 1 1 24 53 1  o 0.3544000      0.7985000     ?             ?      
1 1 1 24 53 2  o -1.066000      0.7927000     ?             ?      
1 1 1 24 53 3  o 0.3049000      0.7900000     ?             ?      
1 1 1 24 53 4  o -0.2360000     0.8028000     ?             ?      
1 1 1 24 53 5  o 0.6299000E-02  0.8912000     ?             ?      
1 1 1 24 53 6  o -0.6803000     0.9680000     ?             ?      
1 1 1 24 53 7  o -1.406000      1.357000      ?             ?      
1 1 1 24 53 8  o -1.532000      1.339000      ?             ?      
1 1 1 24 53 9  o -2.331000      1.874000      ?             ?      
1 1 1 24 53 10 o -1.487000      1.864000      ?             ?      
1 1 1 24 53 11 o -2.377000      1.393000      ?             ?      
1 1 1 24 53 12 o -0.9074000     1.153000      ?             ?      
1 1 1 24 53 13 o -0.8537000     1.378000      ?             ?      
1 1 1 24 53 14 o 0.6360000      1.424000      ?             ?      
1 1 1 24 53 15 o -0.3240000     1.221000      ?             ?      
1 1 1 24 53 16 o -0.4004000     2.061000      ?             ?      
1 1 1 24 53 17 o 1.183000       2.085000      ?             ?      
1 1 1 24 53 18 o -1.593000      2.102000      ?             ?      
1 1 1 24 53 19 o 0.9672000      1.513000      ?             ?      
1 1 1 24 53 20 o -1.029000      1.506000      ?             ?      
1 1 1 24 53 21 o 0.7852000      1.533000      ?             ?      
1 1 1 24 53 22 o 1.308000       1.502000      ?             ?      
1 1 1 24 53 23 o 0.6761000      1.523000      ?             ?      
1 1 1 24 53 24 o 0.5061000      1.548000      ?             ?      
1 1 1 24 53 25 o -0.9597000     1.540000      ?             ?      
1 1 1 24 53 26 o -0.9507000     2.153000      ?             ?      
1 1 1 24 53 27 o -1.665000      2.174000      ?             ?      
1 1 1 24 53 28 o 1.856000       1.624000      ?             ?      
1 1 1 24 53 29 o -2.197000      1.598000      ?             ?      
1 1 1 24 53 30 o 0.3389000      1.664000      ?             ?      
1 1 1 24 53 31 o -0.6866000     2.290000      ?             ?      
1 1 1 24 53 32 o 0.9185000      2.304000      ?             ?      
1 1 1 24 53 33 o 0.2515000      1.650000      ?             ?      
1 1 1 24 53 34 o -2.402000      1.652000      ?             ?      
1 1 1 24 54 0  o 0.5378000      1.116000      ?             ?      
1 1 1 24 54 1  o -0.1954000     0.7970000     ?             ?      
1 1 1 24 54 2  o 0.6899000      0.7975000     ?             ?      
1 1 1 24 54 3  o 0.7503000      0.7927000     ?             ?      
1 1 1 24 54 4  o 0.1272000      0.8057000     ?             ?      
1 1 1 24 54 5  o 0.5686000E-03  0.8413000     ?             ?      
1 1 1 24 54 6  o 0.2380000      0.9713000     ?             ?      
1 1 1 24 54 7  o 0.3695000      1.176000      ?             ?      
1 1 1 24 54 8  o 1.059000       1.319000      ?             ?      
1 1 1 24 54 9  o 0.2608000      1.480000      ?             ?      
1 1 1 24 54 10 o -0.2437000     1.478000      ?             ?      
1 1 1 24 54 11 o 1.743000       1.204000      ?             ?      
1 1 1 24 54 12 o 1.074000       1.187000      ?             ?      
1 1 1 24 54 13 o -4.788000      1.933000      ?             ?      
1 1 1 24 54 14 o 0.3165000      1.926000      ?             ?      
1 1 1 24 54 15 o -1.237000      1.223000      ?             ?      
1 1 1 24 54 16 o 0.2071000      1.484000      ?             ?      
1 1 1 24 54 17 o 0.4549000      1.517000      ?             ?      
1 1 1 24 54 18 o 0.1440000      1.521000      ?             ?      
1 1 1 24 54 19 o -0.7977000E-01 1.522000      ?             ?      
1 1 1 24 54 20 o -2.553000      2.128000      ?             ?      
1 1 1 24 54 21 o -0.5509000     2.138000      ?             ?      
1 1 1 24 54 22 o 1.745000       2.215000      ?             ?      
1 1 1 24 54 23 o 0.8341000      1.560000      ?             ?      
1 1 1 24 54 24 o 0.3330000      1.558000      ?             ?      
1 1 1 24 54 25 o -0.1238000E-01 1.110000      ?             ?      
1 1 1 24 54 26 o 3.114000       4.303000      ?             ?      
1 1 1 24 54 27 o 0.3539000      1.666000      ?             ?      
1 1 1 24 54 28 o 0.3130000      1.621000      ?             ?      
1 1 1 24 54 29 o -1.842000      1.648000      ?             ?      
1 1 1 24 54 30 o -0.5898000     2.305000      ?             ?      
1 1 1 24 54 31 o 3.924000       2.359000      ?             ?      
1 1 1 24 54 32 o 1.290000       3.178000      ?             ?      
1 1 1 24 55 0  o 1.051000       1.131000      ?             ?      
1 1 1 24 55 1  o -0.1447000     0.7955000     ?             ?      
1 1 1 24 55 2  o -0.5670000     0.7876000     ?             ?      
1 1 1 24 55 3  o -0.1086000     0.7861000     ?             ?      
1 1 1 24 55 4  o 0.5123000      0.8118000     ?             ?      
1 1 1 24 55 5  o -0.2837000     0.8377000     ?             ?      
1 1 1 24 55 6  o 0.2898000      0.9679000     ?             ?      
1 1 1 24 55 7  o 0.9732000E-01  1.170000      ?             ?      
1 1 1 24 55 8  o 3.037000       1.567000      ?             ?      
1 1 1 24 55 9  o 2.005000       1.391000      ?             ?      
1 1 1 24 55 10 o -0.9128000E-01 1.414000      ?             ?      
1 1 1 24 55 11 o 2.115000       1.187000      ?             ?      
1 1 1 24 55 12 o -0.8112000     1.459000      ?             ?      
1 1 1 24 55 13 o 0.1197000E-01  1.452000      ?             ?      
1 1 1 24 55 14 o 0.3069000      1.487000      ?             ?      
1 1 1 24 55 15 o 1.318000       1.237000      ?             ?      
1 1 1 24 55 16 o -1.981000      1.487000      ?             ?      
1 1 1 24 55 17 o 2.384000       2.010000      ?             ?      
1 1 1 24 55 18 o -2.635000      2.013000      ?             ?      
1 1 1 24 55 19 o -2.557000      1.491000      ?             ?      
1 1 1 24 55 20 o -0.3841000     1.524000      ?             ?      
1 1 1 24 55 21 o 2.479000       1.589000      ?             ?      
1 1 1 24 55 22 o 0.4679000E-01  1.550000      ?             ?      
1 1 1 24 55 23 o 4.299000       2.263000      ?             ?      
1 1 1 24 55 24 o 1.960000       2.287000      ?             ?      
1 1 1 24 55 25 o -0.8516000     1.099000      ?             ?      
1 1 1 24 55 26 o -0.8413000     1.112000      ?             ?      
1 1 1 24 55 27 o -1.725000      1.646000      ?             ?      
1 1 1 24 55 28 o 1.002000       1.618000      ?             ?      
1 1 1 24 55 29 o 0.4219000      1.659000      ?             ?      
1 1 1 24 56 0  o 0.4301000      1.124000      ?             ?      
1 1 1 24 56 1  o 0.1335000      0.8063000     ?             ?      
1 1 1 24 56 2  o 0.5318000      0.7946000     ?             ?      
1 1 1 24 56 3  o 0.5175000      0.7900000     ?             ?      
1 1 1 24 56 4  o -1.536000      0.8230000     ?             ?      
1 1 1 24 56 5  o 1.423000       0.9015000     ?             ?      
1 1 1 24 56 6  o -0.5171000     0.9503000     ?             ?      
1 1 1 24 56 7  o -0.4256000     1.116000      ?             ?      
1 1 1 24 56 8  o 0.4136000      1.278000      ?             ?      
1 1 1 24 56 9  o -0.1857000     1.258000      ?             ?      
1 1 1 24 56 10 o 1.093000       1.489000      ?             ?      
1 1 1 24 56 11 f -0.1890000     1.204000      ?             ?      
1 1 1 24 56 12 o -0.5767000     1.429000      ?             ?      
1 1 1 24 56 13 o -0.9500000     1.432000      ?             ?      
1 1 1 24 56 14 o -0.3803000     1.210000      ?             ?      
1 1 1 24 56 15 o 0.7582000      1.229000      ?             ?      
1 1 1 24 56 16 o 0.1484000      1.488000      ?             ?      
1 1 1 24 56 17 o -1.486000      1.492000      ?             ?      
1 1 1 24 56 18 o -3.048000      1.487000      ?             ?      
1 1 1 24 56 19 o 0.9478000E-02  1.553000      ?             ?      
1 1 1 24 56 20 o 0.8223000      2.088000      ?             ?      
1 1 1 24 56 21 o -1.578000      1.017000      ?             ?      
1 1 1 24 56 22 o -0.5170000     2.116000      ?             ?      
1 1 1 24 56 23 o -2.148000      1.572000      ?             ?      
1 1 1 24 56 24 o 0.5304000      2.167000      ?             ?      
1 1 1 24 56 25 o 0.9970000E-01  2.163000      ?             ?      
1 1 1 24 56 26 o -1.151000      3.052000      ?             ?      
1 1 1 24 56 27 o 2.147000       2.333000      ?             ?      
1 1 1 24 57 0  o 0.2754000      1.129000      ?             ?      
1 1 1 24 57 1  o -0.7174000     0.7980000     ?             ?      
1 1 1 24 57 2  o -0.4132000     0.7945000     ?             ?      
1 1 1 24 57 3  o 0.5567000      0.8165000     ?             ?      
1 1 1 24 57 4  o 0.2120000      0.8490000     ?             ?      
1 1 1 24 57 5  o 0.6253000      0.8920000     ?             ?      
1 1 1 24 57 6  o -1.056000      0.9405000     ?             ?      
1 1 1 24 57 7  o -0.3627000     1.113000      ?             ?      
1 1 1 24 57 8  o 0.9968000      1.353000      ?             ?      
1 1 1 24 57 9  o 0.4658000      1.302000      ?             ?      
1 1 1 24 57 10 o -0.7321000E-01 1.283000      ?             ?      
1 1 1 24 57 11 o -0.4365000     1.208000      ?             ?      
1 1 1 24 57 12 o 2.454000       1.465000      ?             ?      
1 1 1 24 57 13 o 0.1890000      1.418000      ?             ?      
1 1 1 24 57 14 o 0.4452000E-01  1.207000      ?             ?      
1 1 1 24 57 15 o 0.6229000      1.230000      ?             ?      
1 1 1 24 57 16 o 0.7327000      1.465000      ?             ?      
1 1 1 24 57 17 o 1.148000       1.481000      ?             ?      
1 1 1 24 57 18 o -0.8278000     1.521000      ?             ?      
1 1 1 24 57 19 o 1.513000       1.555000      ?             ?      
1 1 1 24 57 20 o 1.443000       1.583000      ?             ?      
1 1 1 24 57 21 o 2.046000       1.605000      ?             ?      
1 1 1 24 57 22 o -0.8995000     1.579000      ?             ?      
1 1 1 24 57 23 o 0.9121000      1.651000      ?             ?      
1 1 1 24 57 24 o 1.028000       1.114000      ?             ?      
1 1 1 24 58 0  o 1.952000       1.190000      ?             ?      
1 1 1 24 58 1  o 0.7077000      0.8103000     ?             ?      
1 1 1 24 58 2  o -0.4435000     0.8158000     ?             ?      
1 1 1 24 58 3  o -0.5315000     0.8349000     ?             ?      
1 1 1 24 58 4  o 1.522000       0.9227000     ?             ?      
1 1 1 24 58 5  o -0.7518000     0.8827000     ?             ?      
1 1 1 24 58 6  o -1.313000      0.8650000     ?             ?      
1 1 1 24 58 7  o 1.151000       1.130000      ?             ?      
1 1 1 24 58 8  o -0.3615000     1.358000      ?             ?      
1 1 1 24 58 9  o -1.047000      1.295000      ?             ?      
1 1 1 24 58 10 o -2.538000      1.281000      ?             ?      
1 1 1 24 58 11 o -1.694000      1.020000      ?             ?      
1 1 1 24 58 12 o -0.1792000     0.9661000     ?             ?      
1 1 1 24 58 13 o 0.7077000      1.435000      ?             ?      
1 1 1 24 58 14 o 0.6965000      1.219000      ?             ?      
1 1 1 24 58 15 o 0.1173000      1.224000      ?             ?      
1 1 1 24 58 16 o 2.332000       1.503000      ?             ?      
1 1 1 24 58 17 o 1.638000       1.530000      ?             ?      
1 1 1 24 58 18 o -1.080000      1.550000      ?             ?      
1 1 1 24 58 19 o 1.366000       1.547000      ?             ?      
1 1 1 24 58 20 o 1.677000       1.568000      ?             ?      
1 1 1 24 59 0  o 0.4600000      1.184000      ?             ?      
1 1 1 24 59 1  o -0.9366000     0.8044000     ?             ?      
1 1 1 24 59 2  o 1.240000       0.8322000     ?             ?      
1 1 1 24 59 3  o 1.001000       0.8488000     ?             ?      
1 1 1 24 59 4  o 0.5497000      0.9109000     ?             ?      
1 1 1 24 59 5  o 0.8782000      0.8976000     ?             ?      
1 1 1 24 59 6  o -0.8686000E-01 0.8827000     ?             ?      
1 1 1 24 59 7  o 0.2933000      1.281000      ?             ?      
1 1 1 24 59 8  o -1.344000      1.370000      ?             ?      
1 1 1 24 59 9  o 0.3390000      1.316000      ?             ?      
1 1 1 24 59 10 o -0.3438000     2.210000      ?             ?      
1 1 1 24 59 11 o -0.1805000     1.458000      ?             ?      
1 1 1 24 59 12 o -0.5163000     1.436000      ?             ?      
1 1 1 24 59 13 o 1.149000       1.211000      ?             ?      
1 1 1 24 59 14 o 1.248000       1.521000      ?             ?      
1 1 1 24 59 15 o -1.060000      1.499000      ?             ?      
1 1 1 24 59 16 o -0.2087000     1.501000      ?             ?      
1 1 1 24 59 17 < 0.000000       -1.000000     ?             ?      
1 1 1 24 60 0  o 1.414000       1.145000      ?             ?      
1 1 1 24 60 1  o 0.1111000      0.8269000     ?             ?      
1 1 1 24 60 2  o 0.6285000      0.9721000     ?             ?      
1 1 1 24 60 3  o -0.3578000     0.9351000     ?             ?      
1 1 1 24 60 4  o 1.061000       0.9394000     ?             ?      
1 1 1 24 60 5  o 0.3087000      0.8563000     ?             ?      
1 1 1 24 60 6  o 1.151000       0.9195000     ?             ?      
1 1 1 24 60 7  o 1.542000       1.182000      ?             ?      
1 1 1 24 60 8  o -2.066000      1.518000      ?             ?      
1 1 1 24 60 9  o 0.9296000E-01  1.530000      ?             ?      
1 1 1 24 60 10 o 0.2993000      1.536000      ?             ?      
1 1 1 24 60 11 o -1.508000      1.108000      ?             ?      
1 1 1 25 0  1  o 3.502000       1.517000      54.81265      -90.0  
1 1 1 25 0  2  o -1.059000      1.534000      45.03762      -0.0   
1 1 1 25 0  3  o 0.6895000E-01  1.582000      104.3589      -90.0  
1 1 1 25 0  4  o -2.869000      1.558000      158.8659      180.0  
1 1 1 25 0  5  o 2.954000       1.760000      257.1415      -90.0  
1 1 1 25 0  6  o -0.5731000     1.482000      192.7174      180.0  
1 1 1 25 0  7  o -2.466000      1.523000      160.7282      -90.0  
1 1 1 25 0  8  o -0.6199000     1.570000      38.51286      180.0  
1 1 1 25 0  9  o -1.412000      1.477000      41.76157      -90.0  
1 1 1 25 0  10 o 1.110000       1.462000      225.0321      0.0    
1 1 1 25 0  11 o 3.328000       1.534000      99.58102      -90.0  
1 1 1 25 0  12 o 4.100000       1.496000      39.69545      180.0  
1 1 1 25 0  13 o -2.282000      1.427000      115.7001      -90.0  
1 1 1 25 0  14 o -0.3388000     1.409000      229.8429      0.0    
1 1 1 25 0  15 o 1.876000       1.441000      182.2922      90.0   
1 1 1 25 0  16 o -1.560000      1.422000      162.8609      -0.0   
1 1 1 25 0  17 o 0.4164000      1.414000      135.0335      -90.0  
1 1 1 25 0  18 o -0.1944000E-01 1.389000      79.17033      -0.0   
1 1 1 25 0  19 o 1.859000       1.444000      2.140845      -90.0  
1 1 1 25 0  20 o 1.553000       1.433000      193.7712      180.0  
1 1 1 25 0  21 o -0.8524000E-01 1.475000      98.93078      90.0   
1 1 1 25 0  22 o -1.064000      1.443000      247.2759      180.0  
1 1 1 25 0  23 o 1.728000       1.474000      130.7870      90.0   
1 1 1 25 0  24 o 0.4970000E-01  1.482000      119.6174      0.0    
1 1 1 25 0  25 o -1.284000      1.478000      82.76418      -90.0  
1 1 1 25 0  26 o -3.079000      1.469000      124.0136      -0.0   
1 1 1 25 0  27 o -2.175000      1.433000      1.985943      -90.0  
1 1 1 25 0  28 o -1.105000      1.417000      140.2802      -0.0   
1 1 1 25 0  29 o 1.144000       1.425000      19.50685      -90.0  
1 1 1 25 0  30 o 1.936000       1.425000      40.51999      0.0    
1 1 1 25 0  31 o -0.2375000     1.453000      109.4218      90.0   
1 1 1 25 0  32 o -1.104000      1.440000      3.614646      0.0    
1 1 1 25 0  33 o -0.1792000     1.495000      49.50974      -90.0  
1 1 1 25 0  34 o 0.9581000      1.707000      73.32381      0.0    
1 1 1 25 0  35 o -3.009000      2.760000      119.1491      90.0   
1 1 1 25 0  36 o -0.8254000     2.163000      148.8480      -0.0   
1 1 1 25 0  37 o -3.382000      2.337000      61.40791      -90.0  
1 1 1 25 0  38 o -0.7450000     1.939000      79.48119      -0.0   
1 1 1 25 0  39 o -2.071000      1.891000      193.5697      90.0   
1 1 1 25 0  40 o -2.171000      1.935000      84.76161      180.0  
1 1 1 25 0  41 o -2.219000      1.720000      99.65938      90.0   
1 1 1 25 0  42 o 1.643000       2.012000      83.37881      180.0  
1 1 1 25 0  43 f 1.780000       2.163000      72.62713      90.0   
1 1 1 25 0  44 o -2.252000      1.856000      197.9111      180.0  
1 1 1 25 0  45 o -1.306000      1.870000      38.37074      90.0   
1 1 1 25 0  46 o 1.040000       1.928000      106.0339      180.0  
1 1 1 25 0  47 o -3.025000      1.944000      34.42027      90.0   
1 1 1 25 0  48 o -4.292000      2.243000      133.9826      180.0  
1 1 1 25 0  49 o -2.403000      2.269000      29.90043      -90.0  
1 1 1 25 0  50 o -4.220000      1.992000      55.87661      180.0  
1 1 1 25 0  51 o -2.593000      2.320000      39.69762      -90.0  
1 1 1 25 0  52 o 0.4028000      1.956000      ?             ?      
1 1 1 25 0  53 o 0.7893000      2.226000      ?             ?      
1 1 1 25 0  54 o -0.1859000     2.230000      ?             ?      
1 1 1 25 0  55 o 2.749000       2.468000      ?             ?      
1 1 1 25 0  56 o -0.6938000     2.558000      ?             ?      
1 1 1 25 0  57 o 0.5148000      2.096000      ?             ?      
1 1 1 25 0  58 o -0.3248000     1.788000      ?             ?      
1 1 1 25 0  59 o 1.079000       1.796000      ?             ?      
1 1 1 25 0  60 o -1.682000      1.784000      ?             ?      
1 1 1 25 0  61 o -0.6053000     1.786000      ?             ?      
1 1 1 25 0  62 o -2.949000      1.773000      ?             ?      
1 1 1 25 0  63 o -3.559000      1.780000      ?             ?      
1 1 1 25 0  64 o -0.1267000     1.775000      ?             ?      
1 1 1 25 0  65 o -0.2668000     1.804000      ?             ?      
1 1 1 25 0  66 o -0.4829000     1.843000      ?             ?      
1 1 1 25 0  67 o -1.446000      1.856000      ?             ?      
1 1 1 25 0  68 o -0.5440000     1.888000      ?             ?      
1 1 1 25 0  69 o 1.513000       2.248000      ?             ?      
1 1 1 25 1  0  o 1.446000       1.512000      369.6349      90.0   
1 1 1 25 1  1  o -0.1607000     1.084000      426.4659      -108.6 
1 1 1 25 1  2  o 2.243000       1.089000      269.2109      -74.0  
1 1 1 25 1  3  o 1.166000       1.100000      131.5592      91.9   
1 1 1 25 1  4  o -1.765000      1.100000      115.3436      18.8   
1 1 1 25 1  5  o 1.578000       1.108000      195.7226      -98.3  
1 1 1 25 1  6  o 0.5046000      1.066000      13.92295      56.7   
1 1 1 25 1  7  o -1.282000      1.061000      216.3732      42.9   
1 1 1 25 1  8  o 0.3043000      1.073000      63.76701      93.7   
1 1 1 25 1  9  o 0.4386000      1.059000      181.2337      -20.7  
1 1 1 25 1  10 o 0.9636000      1.039000      52.58154      124.6  
1 1 1 25 1  11 o 0.2441000      1.061000      133.2605      83.4   
1 1 1 25 1  12 o 1.883000       1.060000      276.3932      -105.3 
1 1 1 25 1  13 o 0.4435000      1.022000      61.61918      -123.3 
1 1 1 25 1  14 o 0.9180000      1.018000      223.3380      -58.9  
1 1 1 25 1  15 o 0.8531000      1.022000      217.8750      75.9   
1 1 1 25 1  16 o 0.6242000      1.022000      130.1026      131.1  
1 1 1 25 1  17 o 0.3473000      0.9966000     78.98546      -140.6 
1 1 1 25 1  18 o 0.5217000      1.003000      30.35076      -75.4  
1 1 1 25 1  19 o 3.178000       1.071000      356.9931      103.8  
1 1 1 25 1  20 o 0.7409000      1.037000      176.7321      16.7   
1 1 1 25 1  21 o 1.426000       1.034000      113.1667      -119.7 
1 1 1 25 1  22 o -0.1108000     1.025000      94.93069      -115.2 
1 1 1 25 1  23 o 1.704000       1.055000      250.7345      -7.2   
1 1 1 25 1  24 o 0.1013000      1.029000      112.6953      -156.5 
1 1 1 25 1  25 o 0.5424000      1.036000      162.8866      155.0  
1 1 1 25 1  26 o 2.670000       1.050000      268.3852      51.7   
1 1 1 25 1  27 o -0.3746000E-01 1.023000      169.5919      107.9  
1 1 1 25 1  28 o -0.6426000     1.006000      71.04210      -63.9  
1 1 1 25 1  29 o -0.2486000     1.011000      170.7111      -103.1 
1 1 1 25 1  30 o -1.608000      1.006000      87.25270      -111.5 
1 1 1 25 1  31 o 1.386000       1.034000      268.3087      -132.3 
1 1 1 25 1  32 o -0.2450000     1.037000      119.4994      10.4   
1 1 1 25 1  33 o 1.578000       1.130000      283.8458      12.3   
1 1 1 25 1  34 o 0.7249000E-01  1.217000      100.8132      -140.1 
1 1 1 25 1  35 o 2.151000       1.684000      189.5461      93.0   
1 1 1 25 1  36 o 1.642000       1.912000      106.0209      -131.4 
1 1 1 25 1  37 o -1.779000      1.897000      120.4300      -103.8 
1 1 1 25 1  38 o 1.650000       1.285000      209.3703      -47.3  
1 1 1 25 1  39 o -0.3239000E-01 1.172000      125.1518      11.9   
1 1 1 25 1  40 o -0.3931000     1.256000      171.3731      -160.2 
1 1 1 25 1  41 o 0.6190000      1.247000      18.07402      160.6  
1 1 1 25 1  42 o -0.9934000     1.356000      53.86325      60.0   
1 1 1 25 1  43 o 0.5414000      1.295000      8.755795      -92.1  
1 1 1 25 1  44 o -0.1331000     1.416000      113.7254      111.1  
1 1 1 25 1  45 o 2.672000       1.434000      210.3306      -74.8  
1 1 1 25 1  46 o 1.116000       1.461000      108.4948      -155.8 
1 1 1 25 1  47 o -0.9908000E-01 1.479000      171.0150      -134.3 
1 1 1 25 1  48 o -0.3062000     1.504000      33.59263      88.8   
1 1 1 25 1  49 o -0.5054000     1.537000      63.15772      -58.4  
1 1 1 25 1  50 o -1.607000      1.408000      108.1450      75.9   
1 1 1 25 1  51 o 0.6651000      1.506000      62.24156      79.8   
1 1 1 25 1  52 o -1.375000      1.361000      ?             ?      
1 1 1 25 1  53 o 0.3953000      1.475000      ?             ?      
1 1 1 25 1  54 o -1.255000      2.222000      ?             ?      
1 1 1 25 1  55 o -0.1438000     1.661000      ?             ?      
1 1 1 25 1  56 o 1.081000       1.900000      ?             ?      
1 1 1 25 1  57 o 0.4120000      1.389000      ?             ?      
1 1 1 25 1  58 o -2.245000      1.283000      ?             ?      
1 1 1 25 1  59 o -1.466000      1.279000      ?             ?      
1 1 1 25 1  60 o 3.491000       1.430000      ?             ?      
1 1 1 25 1  61 o 0.5685000      1.280000      ?             ?      
1 1 1 25 1  62 o -0.1149000     1.268000      ?             ?      
1 1 1 25 1  63 o 1.360000       1.263000      ?             ?      
1 1 1 25 1  64 o 1.070000       1.255000      ?             ?      
1 1 1 25 1  65 o 0.5761000      1.289000      ?             ?      
1 1 1 25 1  66 o 1.155000       1.314000      ?             ?      
1 1 1 25 1  67 o 0.5375000      1.321000      ?             ?      
1 1 1 25 1  68 o 0.8462000      1.466000      ?             ?      
1 1 1 25 1  69 o -6.820000      2.956000      ?             ?      
1 1 1 25 2  0  o 4.060000       1.557000      323.3914      90.0   
1 1 1 25 2  1  o 0.9152000      1.088000      274.7824      -79.3  
1 1 1 25 2  2  o 3.072000       1.106000      160.7345      -154.3 
1 1 1 25 2  3  o 3.408000       1.128000      468.0230      -160.8 
1 1 1 25 2  4  o 1.994000       1.180000      236.3089      53.2   
1 1 1 25 2  5  o 0.3884000      1.102000      36.88065      -164.3 
1 1 1 25 2  6  o 2.327000       1.155000      359.1857      154.4  
1 1 1 25 2  7  f 1.935000       1.065000      239.9333      -105.7 
1 1 1 25 2  8  o 0.5276000      1.062000      138.3102      -38.1  
1 1 1 25 2  9  f 2.774000       1.093000      322.1559      -58.6  
1 1 1 25 2  10 o -0.1457000     1.042000      276.0569      -172.6 
1 1 1 25 2  11 o -0.1208000     1.036000      99.43134      -173.1 
1 1 1 25 2  12 o 1.055000       1.020000      126.0713      -54.7  
1 1 1 25 2  13 o -1.174000      1.017000      176.2651      53.1   
1 1 1 25 2  14 o 1.307000       1.032000      108.4759      -164.9 
1 1 1 25 2  15 o 1.437000       1.039000      106.7060      120.4  
1 1 1 25 2  16 o 3.768000       1.052000      424.4727      -44.8  
1 1 1 25 2  17 o 1.319000       1.017000      293.4766      -145.7 
1 1 1 25 2  18 o -0.2888000     1.012000      199.4998      51.3   
1 1 1 25 2  19 o -0.6222000     1.025000      190.5878      -58.7  
1 1 1 25 2  20 o 0.1853000      1.019000      116.5651      52.2   
1 1 1 25 2  21 o 1.452000       1.012000      9.381904      -131.8 
1 1 1 25 2  22 o 9.962000       1.110000      591.3557      -161.2 
1 1 1 25 2  23 o 4.789000       1.053000      220.0671      -157.1 
1 1 1 25 2  24 o 2.541000       1.028000      91.76630      -50.4  
1 1 1 25 2  25 o 1.383000       1.023000      180.6707      99.4   
1 1 1 25 2  26 o 0.4789000      1.028000      324.9987      170.1  
1 1 1 25 2  27 o 1.261000       1.005000      97.34853      92.3   
1 1 1 25 2  28 o 1.536000       1.015000      234.2841      23.9   
1 1 1 25 2  29 o 1.395000       1.022000      267.2086      135.5  
1 1 1 25 2  30 o -0.1044000     1.038000      43.91627      -19.0  
1 1 1 25 2  31 o 2.223000       1.047000      217.6866      -178.5 
1 1 1 25 2  32 o 2.222000       1.049000      114.7298      -57.2  
1 1 1 25 2  33 o 3.540000       1.177000      216.2331      157.9  
1 1 1 25 2  34 o -0.3832000     1.732000      111.4020      49.3   
1 1 1 25 2  35 o -1.338000      1.549000      4.416121      -172.7 
1 1 1 25 2  36 o 2.526000       1.890000      192.7941      28.0   
1 1 1 25 2  37 o 1.288000       1.818000      191.4020      99.2   
1 1 1 25 2  38 o 2.213000       1.348000      203.9464      102.1  
1 1 1 25 2  39 o 1.314000       1.268000      153.3474      70.0   
1 1 1 25 2  40 o 0.2893000      1.191000      128.0392      -38.1  
1 1 1 25 2  41 o -0.3607000     1.236000      125.4503      99.6   
1 1 1 25 2  42 o -0.5617000     1.244000      105.4642      90.8   
1 1 1 25 2  43 o -2.069000      1.294000      57.08395      -109.2 
1 1 1 25 2  44 o 1.957000       1.611000      204.7537      14.2   
1 1 1 25 2  45 o -1.140000      1.421000      7.971523      96.4   
1 1 1 25 2  46 o -0.5364000     1.469000      50.47673      3.1    
1 1 1 25 2  47 o -0.8323000     1.705000      195.1101      75.1   
1 1 1 25 2  48 o 0.1187000E-02  1.424000      200.8179      -80.0  
1 1 1 25 2  49 o 0.6795000      1.437000      123.9617      -29.9  
1 1 1 25 2  50 o 1.990000       1.413000      144.2562      86.0   
1 1 1 25 2  51 o 0.2095000      1.396000      107.2910      -127.6 
1 1 1 25 2  52 o 0.1189000      1.379000      ?             ?      
1 1 1 25 2  53 o -1.514000      1.543000      ?             ?      
1 1 1 25 2  54 o -0.1457000     2.043000      ?             ?      
1 1 1 25 2  55 o -0.3791000     2.642000      ?             ?      
1 1 1 25 2  56 o 1.791000       1.815000      ?             ?      
1 1 1 25 2  57 o -1.820000      1.463000      ?             ?      
1 1 1 25 2  58 o -1.085000      1.379000      ?             ?      
1 1 1 25 2  59 o 0.2766000      1.271000      ?             ?      
1 1 1 25 2  60 o -0.5175000     1.269000      ?             ?      
1 1 1 25 2  61 o -1.045000      1.277000      ?             ?      
1 1 1 25 2  62 o 2.011000       1.286000      ?             ?      
1 1 1 25 2  63 o 1.284000       1.259000      ?             ?      
1 1 1 25 2  64 o -1.699000      1.253000      ?             ?      
1 1 1 25 2  65 o 0.4831000      1.287000      ?             ?      
1 1 1 25 2  66 o 1.688000       1.325000      ?             ?      
1 1 1 25 2  67 o 0.7535000      1.876000      ?             ?      
1 1 1 25 2  68 o 0.6463000      1.450000      ?             ?      
1 1 1 25 3  0  o 0.3537000      1.530000      161.1140      90.0   
1 1 1 25 3  1  o 4.577000       1.113000      579.1732      -100.0 
1 1 1 25 3  2  o 4.469000       1.131000      516.4393      -49.7  
1 1 1 25 3  3  o 12.69000       1.194000      862.3125      152.5  
1 1 1 25 3  4  o 0.5110000      1.127000      352.4089      -139.1 
1 1 1 25 3  5  o 6.776000       1.144000      620.5219      -171.5 
1 1 1 25 3  6  o 1.691000       1.142000      80.90138      156.8  
1 1 1 25 3  7  o 3.882000       1.087000      462.1537      84.4   
1 1 1 25 3  8  o 0.3796000      1.073000      349.1746      27.9   
1 1 1 25 3  9  o 0.1036000      1.073000      51.48574      -107.4 
1 1 1 25 3  10 o -0.3516000E-01 1.076000      147.9487      -179.3 
1 1 1 25 3  11 o 0.5505000      1.038000      87.35331      -130.1 
1 1 1 25 3  12 o 1.451000       1.024000      210.1192      101.7  
1 1 1 25 3  13 o 0.8779000      1.054000      522.8580      -157.8 
1 1 1 25 3  14 o 3.585000       1.055000      262.7961      82.6   
1 1 1 25 3  15 o 1.924000       1.038000      322.7838      135.8  
1 1 1 25 3  16 o 5.192000       1.052000      487.0480      -141.7 
1 1 1 25 3  17 o 2.112000       1.027000      363.2636      59.3   
1 1 1 25 3  18 o 2.981000       1.035000      367.1313      -164.4 
1 1 1 25 3  19 o 10.80000       1.079000      579.3611      127.4  
1 1 1 25 3  20 o 1.953000       1.019000      345.1782      -74.1  
1 1 1 25 3  21 o 3.981000       1.025000      241.1321      -68.3  
1 1 1 25 3  22 o 11.42000       1.074000      495.8503      -68.5  
1 1 1 25 3  23 o 0.4105000      1.020000      244.4463      -59.1  
1 1 1 25 3  24 o 0.2704000      1.038000      201.0310      102.3  
1 1 1 25 3  25 o 6.296000       1.065000      298.4904      152.5  
1 1 1 25 3  26 o -0.3551000     1.012000      29.41822      -146.7 
1 1 1 25 3  27 o -0.1046000     1.020000      122.3627      162.9  
1 1 1 25 3  28 o 0.5168000      1.038000      176.8443      34.2   
1 1 1 25 3  29 o 0.5230000      1.044000      54.11918      -78.5  
1 1 1 25 3  30 o 6.378000       1.062000      226.4469      122.2  
1 1 1 25 3  31 o -0.2625000     1.036000      136.8213      -34.3  
1 1 1 25 3  32 o -0.4969000     1.197000      112.0788      -55.1  
1 1 1 25 3  33 o 0.5546000E-01  1.258000      151.4725      -28.4  
1 1 1 25 3  34 o 1.969000       1.399000      296.6598      167.1  
1 1 1 25 3  35 o 2.519000       1.820000      243.2997      138.8  
1 1 1 25 3  36 o 1.719000       1.466000      296.4743      -147.6 
1 1 1 25 3  37 o 2.793000       1.426000      189.7367      -90.9  
1 1 1 25 3  38 o 1.233000       1.352000      186.4145      -80.5  
1 1 1 25 3  39 o 0.1781000      1.259000      51.54463      -103.5 
1 1 1 25 3  40 o 3.265000       1.222000      317.8113      174.8  
1 1 1 25 3  41 o 1.052000       1.334000      127.2010      110.9  
1 1 1 25 3  42 o -0.7242000     1.333000      157.3085      -147.6 
1 1 1 25 3  43 o 4.919000       1.326000      348.2467      145.3  
1 1 1 25 3  44 o 0.3893000      1.395000      161.0107      -67.1  
1 1 1 25 3  45 o 2.081000       1.326000      138.3197      -133.9 
1 1 1 25 3  46 o 2.124000       1.453000      120.1050      165.4  
1 1 1 25 3  47 o 4.693000       1.510000      324.5336      9.5    
1 1 1 25 3  48 o 0.2316000      1.405000      137.2651      161.4  
1 1 1 25 3  49 o 0.4341000      1.521000      101.5507      -77.6  
1 1 1 25 3  50 o 2.070000       1.508000      117.2690      -11.5  
1 1 1 25 3  51 o 1.451000       1.405000      186.2979      -127.5 
1 1 1 25 3  52 o -0.6447000     1.459000      ?             ?      
1 1 1 25 3  53 o -2.165000      1.530000      ?             ?      
1 1 1 25 3  54 o -1.278000      1.572000      ?             ?      
1 1 1 25 3  55 o -2.917000      1.672000      ?             ?      
1 1 1 25 3  56 f -0.9083000E-01 1.600000      ?             ?      
1 1 1 25 3  57 o -2.767000      1.371000      ?             ?      
1 1 1 25 3  58 o 2.847000       1.522000      ?             ?      
1 1 1 25 3  59 o -2.022000      1.375000      ?             ?      
1 1 1 25 3  60 o 0.4423000E-01  1.272000      ?             ?      
1 1 1 25 3  61 o -0.9581000     1.260000      ?             ?      
1 1 1 25 3  62 o -1.095000      1.268000      ?             ?      
1 1 1 25 3  63 o 2.412000       1.270000      ?             ?      
1 1 1 25 3  64 o -3.317000      1.252000      ?             ?      
1 1 1 25 3  65 o 2.085000       1.287000      ?             ?      
1 1 1 25 3  66 o -1.439000      1.284000      ?             ?      
1 1 1 25 3  67 o 1.133000       1.329000      ?             ?      
1 1 1 25 3  68 o 1.851000       1.464000      ?             ?      
1 1 1 25 3  69 o 0.5631000      2.032000      ?             ?      
1 1 1 25 4  0  o 21.41000       1.852000      664.8433      90.0   
1 1 1 25 4  1  o 3.859000       1.107000      333.3105      -56.5  
1 1 1 25 4  2  o 3.899000       1.110000      397.3009      -123.4 
1 1 1 25 4  3  o 17.83000       1.358000      714.5379      -119.6 
1 1 1 25 4  4  o 0.9923000      1.117000      291.4138      0.0    
1 1 1 25 4  5  o 2.375000       1.139000      212.2794      -26.7  
1 1 1 25 4  6  o 3.715000       1.141000      569.5851      172.1  
1 1 1 25 4  7  o 5.573000       1.167000      520.4189      172.6  
1 1 1 25 4  8  o 10.48000       1.133000      652.5432      40.2   
1 1 1 25 4  9  o 35.73000       1.399000      1030.599      -71.1  
1 1 1 25 4  10 o 1.894000       1.097000      199.4111      -150.5 
1 1 1 25 4  11 o 1.411000       1.043000      176.0983      121.2  
1 1 1 25 4  12 o 8.986000       1.070000      606.0284      -76.9  
1 1 1 25 4  13 o -2.229000      1.043000      264.5186      11.1   
1 1 1 25 4  14 o 12.16000       1.113000      519.3981      -50.6  
1 1 1 25 4  15 o 1.300000       1.031000      386.4590      -176.5 
1 1 1 25 4  16 o 14.62000       1.133000      638.9424      -47.5  
1 1 1 25 4  17 f 5.683000       1.054000      500.2066      -50.4  
1 1 1 25 4  18 o 2.303000       1.029000      367.1504      -56.9  
1 1 1 25 4  19 o 6.768000       1.045000      468.9693      -52.6  
1 1 1 25 4  20 o 12.38000       1.079000      625.1359      9.5    
1 1 1 25 4  21 o -0.3967000     0.9927000     288.6068      -103.9 
1 1 1 25 4  22 o 6.539000       1.028000      521.7728      -176.4 
1 1 1 25 4  23 o 2.968000       1.037000      252.2293      -44.5  
1 1 1 25 4  24 o 7.983000       1.067000      330.9836      -135.7 
1 1 1 25 4  25 o 8.830000       1.075000      453.6507      87.2   
1 1 1 25 4  26 o 0.3044000      1.024000      72.43598      -141.6 
1 1 1 25 4  27 o 1.249000       1.015000      29.17190      86.7   
1 1 1 25 4  28 o -1.291000      1.030000      232.0189      -152.0 
1 1 1 25 4  29 o 10.31000       1.239000      571.0149      164.8  
1 1 1 25 4  30 o 2.755000       1.154000      252.3322      18.6   
1 1 1 25 4  31 o 1.904000       1.029000      279.8864      148.3  
1 1 1 25 4  32 o 2.509000       1.241000      231.2097      -131.2 
1 1 1 25 4  33 o 3.946000       1.492000      272.0101      134.6  
1 1 1 25 4  34 o -0.5773000     1.306000      152.7307      -33.8  
1 1 1 25 4  35 o 3.646000       1.437000      361.8783      117.7  
1 1 1 25 4  36 o 0.3363000      1.280000      160.9988      16.9   
1 1 1 25 4  37 o 0.5314000      1.418000      122.9774      92.2   
1 1 1 25 4  38 o -0.2091000     1.432000      143.4527      94.6   
1 1 1 25 4  39 o -2.383000      1.555000      42.47128      -96.7  
1 1 1 25 4  40 o 0.7714000      1.325000      193.7109      151.6  
1 1 1 25 4  41 o 2.682000       1.322000      189.6225      -146.6 
1 1 1 25 4  42 o 0.4748000      1.335000      102.1364      -18.9  
1 1 1 25 4  43 o 2.327000       1.294000      103.1015      -121.3 
1 1 1 25 4  44 o -0.6208000     1.315000      52.20090      -163.1 
1 1 1 25 4  45 o 1.235000       1.329000      63.57895      115.9  
1 1 1 25 4  46 o -0.4818000     1.340000      73.46165      18.1   
1 1 1 25 4  47 o -0.9093000     1.368000      199.0646      6.5    
1 1 1 25 4  48 f 3.035000       1.400000      259.9008      6.3    
1 1 1 25 4  49 o 0.4244000      1.479000      123.9318      64.9   
1 1 1 25 4  50 o -0.3141000     1.410000      231.0543      153.7  
1 1 1 25 4  51 o -1.001000      1.450000      53.71690      23.8   
1 1 1 25 4  52 o -1.400000      1.520000      ?             ?      
1 1 1 25 4  53 o 4.056000       1.553000      ?             ?      
1 1 1 25 4  54 o 0.2691000      1.593000      ?             ?      
1 1 1 25 4  55 o -1.073000      1.506000      ?             ?      
1 1 1 25 4  56 o -0.4843000     1.485000      ?             ?      
1 1 1 25 4  57 o 0.3744000      1.513000      ?             ?      
1 1 1 25 4  58 o 2.451000       1.582000      ?             ?      
1 1 1 25 4  59 o -1.035000      1.347000      ?             ?      
1 1 1 25 4  60 o -0.6457000     1.378000      ?             ?      
1 1 1 25 4  61 o 2.501000       1.441000      ?             ?      
1 1 1 25 4  62 o 2.418000       1.261000      ?             ?      
1 1 1 25 4  63 o 0.9819000      1.248000      ?             ?      
1 1 1 25 4  64 o 1.345000       1.245000      ?             ?      
1 1 1 25 4  65 o -0.2025000     1.269000      ?             ?      
1 1 1 25 4  66 o 1.033000       1.279000      ?             ?      
1 1 1 25 4  67 o 1.611000       1.431000      ?             ?      
1 1 1 25 4  68 o 0.7988000      1.546000      ?             ?      
1 1 1 25 4  69 o 4.622000       2.872000      ?             ?      
1 1 1 25 5  0  o 4.030000       1.581000      286.0740      90.0   
1 1 1 25 5  1  o 5.424000       1.114000      242.1938      167.6  
1 1 1 25 5  2  o 5.424000       1.132000      222.1609      27.0   
1 1 1 25 5  3  o 43.62000       1.693000      1167.184      146.5  
1 1 1 25 5  4  o 9.468000       1.172000      557.5575      126.4  
1 1 1 25 5  5  o 31.29000       1.619000      911.0767      140.7  
1 1 1 25 5  6  o 11.91000       1.195000      579.0911      -42.1  
1 1 1 25 5  7  o 1.805000       1.114000      242.1886      92.7   
1 1 1 25 5  8  o 27.66000       1.560000      810.9862      -169.6 
1 1 1 25 5  9  o 35.25000       1.548000      874.0809      115.4  
1 1 1 25 5  10 o 22.92000       1.281000      697.1010      -70.7  
1 1 1 25 5  11 o 22.87000       1.331000      851.4982      95.8   
1 1 1 25 5  12 o 4.622000       1.064000      605.2377      125.0  
1 1 1 25 5  13 o 4.965000       1.063000      240.4777      132.6  
1 1 1 25 5  14 o -0.7558000     1.034000      428.3445      114.6  
1 1 1 25 5  15 o 7.869000       1.100000      409.7265      143.0  
1 1 1 25 5  16 o 27.09000       1.256000      871.9301      -44.7  
1 1 1 25 5  17 o 16.67000       1.136000      707.1996      47.0   
1 1 1 25 5  18 o 3.217000       1.055000      357.0838      109.9  
1 1 1 25 5  19 o 33.87000       1.315000      884.7434      82.7   
1 1 1 25 5  20 o 6.270000       1.031000      462.1067      -13.0  
1 1 1 25 5  21 o 7.769000       1.018000      557.5966      36.2   
1 1 1 25 5  22 o 16.94000       1.105000      511.8528      -28.9  
1 1 1 25 5  23 o 12.12000       1.078000      442.5737      81.1   
1 1 1 25 5  24 o 6.453000       1.064000      304.2940      67.3   
1 1 1 25 5  25 o 0.7590000      1.032000      120.1903      18.3   
1 1 1 25 5  26 o -0.9958000     1.011000      118.4810      -172.9 
1 1 1 25 5  27 o 3.714000       1.181000      396.6547      -8.1   
1 1 1 25 5  28 o 29.45000       1.576000      717.9957      16.7   
1 1 1 25 5  29 o 0.7104000      1.053000      177.9895      -130.0 
1 1 1 25 5  30 o 3.369000       1.136000      112.8724      -125.4 
1 1 1 25 5  31 o 8.300000       1.087000      505.2249      -53.6  
1 1 1 25 5  32 o 0.6253000      1.100000      130.5444      -93.6  
1 1 1 25 5  33 o 6.773000       1.742000      349.9439      -132.4 
1 1 1 25 5  34 o 14.97000       1.487000      605.6619      -175.0 
1 1 1 25 5  35 o 1.329000       1.282000      188.7152      -142.8 
1 1 1 25 5  36 o 1.220000       1.259000      224.8360      -92.2  
1 1 1 25 5  37 o 3.658000       1.301000      294.2587      174.2  
1 1 1 25 5  38 f 1.516000       1.458000      176.6448      -120.0 
1 1 1 25 5  39 o 3.072000       1.623000      319.5679      -80.4  
1 1 1 25 5  40 o 9.363000       1.403000      439.1759      174.1  
1 1 1 25 5  41 o 8.157000       1.270000      395.4488      -152.2 
1 1 1 25 5  42 o 2.531000       1.242000      234.2980      1.3    
1 1 1 25 5  43 o 2.829000       1.290000      183.2947      140.7  
1 1 1 25 5  44 o 13.86000       1.419000      615.4308      -64.0  
1 1 1 25 5  45 o 1.834000       1.340000      215.8569      -154.6 
1 1 1 25 5  46 o 11.07000       1.396000      460.1071      95.2   
1 1 1 25 5  47 o 3.549000       1.370000      318.0269      71.3   
1 1 1 25 5  48 o 0.2395000      1.366000      170.0573      -164.7 
1 1 1 25 5  49 o 4.976000       1.413000      198.5798      -163.9 
1 1 1 25 5  50 o 0.4781000      1.402000      122.2993      -55.2  
1 1 1 25 5  51 o 0.9862000      1.642000      155.0402      -77.9  
1 1 1 25 5  52 o 3.854000       1.672000      ?             ?      
1 1 1 25 5  53 o 1.955000       1.507000      ?             ?      
1 1 1 25 5  54 o 1.216000       1.440000      ?             ?      
1 1 1 25 5  55 o 4.501000       1.470000      ?             ?      
1 1 1 25 5  56 o 6.713000       1.467000      ?             ?      
1 1 1 25 5  57 o -0.3457000     1.509000      ?             ?      
1 1 1 25 5  58 o 2.270000       1.360000      ?             ?      
1 1 1 25 5  59 o -1.127000      1.322000      ?             ?      
1 1 1 25 5  60 o 1.034000       1.301000      ?             ?      
1 1 1 25 5  61 o 0.8566000      1.305000      ?             ?      
1 1 1 25 5  62 o 0.2265000      1.371000      ?             ?      
1 1 1 25 5  63 o 0.6248000E-01  1.374000      ?             ?      
1 1 1 25 5  64 o -1.241000      1.255000      ?             ?      
1 1 1 25 5  65 o 0.6649000      1.275000      ?             ?      
1 1 1 25 5  66 o -0.6263000     1.263000      ?             ?      
1 1 1 25 5  67 o 1.549000       1.449000      ?             ?      
1 1 1 25 5  68 o 0.4536000      1.513000      ?             ?      
1 1 1 25 6  0  o 56.87000       2.316000      945.9761      90.0   
1 1 1 25 6  1  o 15.62000       1.470000      593.9142      -168.9 
1 1 1 25 6  2  o 126.2000       3.674000      1767.390      -133.7 
1 1 1 25 6  3  o 24.99000       1.308000      642.8624      -105.8 
1 1 1 25 6  4  o 29.63000       1.512000      995.8843      121.0  
1 1 1 25 6  5  o 30.46000       1.380000      592.4635      12.5   
1 1 1 25 6  6  o 21.93000       1.568000      531.1757      -98.1  
1 1 1 25 6  7  o 5.353000       1.163000      549.2574      -52.7  
1 1 1 25 6  8  o 16.47000       1.261000      757.1832      -59.1  
1 1 1 25 6  9  o 73.96000       2.258000      1384.886      -66.3  
1 1 1 25 6  10 o 53.68000       1.722000      910.7224      152.9  
1 1 1 25 6  11 o 8.966000       1.128000      307.9415      -127.3 
1 1 1 25 6  12 o 4.055000       1.078000      466.8469      -17.1  
1 1 1 25 6  13 o 42.65000       1.624000      905.2881      -41.7  
1 1 1 25 6  14 o 0.1081000      1.030000      252.1618      -151.8 
1 1 1 25 6  15 o 9.838000       1.073000      561.1377      104.0  
1 1 1 25 6  16 o 1.184000       1.051000      227.9700      10.0   
1 1 1 25 6  17 o 3.857000       1.122000      286.5224      -117.0 
1 1 1 25 6  18 o 32.90000       1.436000      748.4329      179.5  
1 1 1 25 6  19 o 2.379000       1.040000      253.2393      109.0  
1 1 1 25 6  20 o 5.491000       1.026000      428.4057      70.4   
1 1 1 25 6  21 o 6.371000       1.018000      336.8901      39.6   
1 1 1 25 6  22 o 4.507000       1.007000      293.6336      63.7   
1 1 1 25 6  23 o 5.896000       1.025000      174.2191      -120.8 
1 1 1 25 6  24 o 22.68000       1.334000      711.2496      179.2  
1 1 1 25 6  25 o 39.78000       1.575000      874.4346      82.5   
1 1 1 25 6  26 o 0.5262000      1.032000      254.2484      158.7  
1 1 1 25 6  27 o 6.301000       1.171000      323.1649      -118.2 
1 1 1 25 6  28 o 10.87000       1.235000      449.4240      93.8   
1 1 1 25 6  29 o 12.55000       1.218000      602.0462      79.7   
1 1 1 25 6  30 o 27.54000       1.293000      609.8193      -4.8   
1 1 1 25 6  31 o -0.9519000     1.087000      140.5881      61.0   
1 1 1 25 6  32 o 8.577000       1.232000      511.7678      33.3   
1 1 1 25 6  33 o 13.50000       1.420000      544.7661      87.0   
1 1 1 25 6  34 o -0.5065000     1.401000      71.31234      46.0   
1 1 1 25 6  35 o 13.37000       1.294000      493.2291      127.6  
1 1 1 25 6  36 o 7.864000       1.221000      377.4767      -58.8  
1 1 1 25 6  37 o 4.409000       1.289000      250.0161      74.5   
1 1 1 25 6  38 o 3.277000       1.284000      329.9292      -107.7 
1 1 1 25 6  39 o 4.056000       1.340000      261.9631      -70.0  
1 1 1 25 6  40 o 10.73000       1.497000      498.1185      96.7   
1 1 1 25 6  41 o 0.9927000E-01  1.316000      60.85937      92.0   
1 1 1 25 6  42 o 2.623000       1.247000      177.6686      -179.7 
1 1 1 25 6  43 o 1.956000       1.286000      80.16206      -6.7   
1 1 1 25 6  44 o 3.976000       1.332000      240.9110      -61.3  
1 1 1 25 6  45 o 8.741000       1.352000      332.5974      178.3  
1 1 1 25 6  46 o 7.619000       1.377000      337.1005      -125.4 
1 1 1 25 6  47 o 1.460000       1.359000      173.1538      -69.3  
1 1 1 25 6  48 o 5.999000       1.384000      374.6752      -74.2  
1 1 1 25 6  49 o 1.931000       1.381000      237.2549      153.5  
1 1 1 25 6  50 o 3.029000       1.412000      348.5223      66.6   
1 1 1 25 6  51 o 2.023000       1.486000      282.1632      12.6   
1 1 1 25 6  52 o 6.447000       1.676000      ?             ?      
1 1 1 25 6  53 o 5.478000       1.597000      ?             ?      
1 1 1 25 6  54 o 1.591000       1.366000      ?             ?      
1 1 1 25 6  55 o -2.054000      1.272000      ?             ?      
1 1 1 25 6  56 o 0.1470000      1.581000      ?             ?      
1 1 1 25 6  57 o -0.5438000     1.427000      ?             ?      
1 1 1 25 6  58 o -0.9750000     1.485000      ?             ?      
1 1 1 25 6  59 o 1.314000       1.415000      ?             ?      
1 1 1 25 6  60 o 2.157000       1.333000      ?             ?      
1 1 1 25 6  61 o -0.8701000     1.234000      ?             ?      
1 1 1 25 6  62 o 0.8744000      1.313000      ?             ?      
1 1 1 25 6  63 o 2.982000       1.328000      ?             ?      
1 1 1 25 6  64 o -0.5413000     1.259000      ?             ?      
1 1 1 25 6  65 o 2.360000       1.396000      ?             ?      
1 1 1 25 6  66 o 3.154000       1.315000      ?             ?      
1 1 1 25 6  67 o 2.585000       1.441000      ?             ?      
1 1 1 25 6  68 o 4.363000       1.536000      ?             ?      
1 1 1 25 7  0  o 1.897000       1.578000      161.0718      -90.0  
1 1 1 25 7  1  o 2.927000       1.111000      335.3179      165.1  
1 1 1 25 7  2  o -0.6101000E-01 1.138000      244.4505      77.9   
1 1 1 25 7  3  o 2.895000       1.149000      367.4213      12.7   
1 1 1 25 7  4  o 27.61000       1.588000      794.7907      143.8  
1 1 1 25 7  5  o 30.88000       1.478000      660.6080      94.4   
1 1 1 25 7  6  o 39.94000       1.494000      817.8179      -8.1   
1 1 1 25 7  7  o 63.07000       1.988000      1069.727      79.9   
1 1 1 25 7  8  o 72.54000       1.899000      990.9067      124.1  
1 1 1 25 7  9  o 14.10000       1.426000      308.1792      139.9  
1 1 1 25 7  10 o 3.885000       1.103000      264.8652      44.4   
1 1 1 25 7  11 o 139.2000       3.402000      1719.197      100.0  
1 1 1 25 7  12 o 2.310000       1.071000      222.6742      111.7  
1 1 1 25 7  13 o 7.704000       1.061000      342.3720      148.0  
1 1 1 25 7  14 o 26.80000       1.206000      510.5661      52.0   
1 1 1 25 7  15 o 1.681000       1.138000      297.0794      -146.4 
1 1 1 25 7  16 o 98.24000       2.447000      1406.209      -69.3  
1 1 1 25 7  17 o 27.03000       1.442000      778.6331      107.3  
1 1 1 25 7  18 o 6.243000       1.122000      418.2025      92.0   
1 1 1 25 7  19 o 20.03000       1.164000      750.2516      84.1   
1 1 1 25 7  20 o 23.68000       1.179000      520.2928      91.8   
1 1 1 25 7  21 o 38.72000       1.520000      787.7870      26.9   
1 1 1 25 7  22 o 9.986000       1.186000      540.2471      98.7   
1 1 1 25 7  23 o 13.86000       1.123000      586.9742      120.5  
1 1 1 25 7  24 o -0.5440000     1.041000      173.2911      57.4   
1 1 1 25 7  25 o 2.648000       1.137000      337.8283      -77.0  
1 1 1 25 7  26 o 6.122000       1.074000      394.9900      151.6  
1 1 1 25 7  27 o 18.40000       1.168000      441.9538      68.2   
1 1 1 25 7  28 o 38.74000       1.441000      876.2010      22.4   
1 1 1 25 7  29 o 66.97000       1.889000      1152.611      178.9  
1 1 1 25 7  30 o 12.54000       1.131000      498.5350      55.7   
1 1 1 25 7  31 o 3.452000       1.304000      464.4386      -12.7  
1 1 1 25 7  32 o 12.18000       1.533000      407.6728      -150.7 
1 1 1 25 7  33 o 39.40000       1.872000      909.6604      -135.0 
1 1 1 25 7  34 o 14.21000       1.389000      522.2593      -103.5 
1 1 1 25 7  35 o 6.188000       1.219000      305.3325      24.3   
1 1 1 25 7  36 o 22.73000       1.580000      789.2009      76.1   
1 1 1 25 7  37 o 13.51000       1.310000      457.9857      115.7  
1 1 1 25 7  38 o 0.5121000      1.239000      122.8402      -12.0  
1 1 1 25 7  39 o 1.028000       1.473000      246.8664      -84.6  
1 1 1 25 7  40 o 11.52000       1.509000      511.6512      173.8  
1 1 1 25 7  41 o 3.637000       1.328000      197.0116      -57.2  
1 1 1 25 7  42 o 11.34000       1.333000      499.5688      -10.4  
1 1 1 25 7  43 o 3.297000       1.285000      274.5398      -127.7 
1 1 1 25 7  44 o 9.334000       1.362000      398.8553      -7.4   
1 1 1 25 7  45 o 9.542000       1.377000      382.3734      -33.6  
1 1 1 25 7  46 o 8.652000       1.382000      374.1084      35.1   
1 1 1 25 7  47 o 13.18000       1.439000      588.8488      51.8   
1 1 1 25 7  48 o 0.1095000      1.358000      132.7784      -101.4 
1 1 1 25 7  49 o 3.892000       1.399000      242.5447      -166.4 
1 1 1 25 7  50 o 0.4890000      1.393000      150.3620      -24.5  
1 1 1 25 7  51 o 3.492000       1.496000      176.8675      -19.8  
1 1 1 25 7  52 o 1.103000       1.535000      ?             ?      
1 1 1 25 7  53 o -1.548000      1.386000      ?             ?      
1 1 1 25 7  54 o 5.912000       1.285000      ?             ?      
1 1 1 25 7  55 o 0.2870000      1.261000      ?             ?      
1 1 1 25 7  56 o 2.367000       1.492000      ?             ?      
1 1 1 25 7  57 o 2.349000       1.523000      ?             ?      
1 1 1 25 7  58 o 1.567000       1.567000      ?             ?      
1 1 1 25 7  59 o 1.355000       1.414000      ?             ?      
1 1 1 25 7  60 o -0.3903000     1.327000      ?             ?      
1 1 1 25 7  61 o 0.5224000      1.235000      ?             ?      
1 1 1 25 7  62 o 1.609000       1.263000      ?             ?      
1 1 1 25 7  63 o 0.2849000      1.246000      ?             ?      
1 1 1 25 7  64 o -0.6146000     1.315000      ?             ?      
1 1 1 25 7  65 o -0.6734000     1.327000      ?             ?      
1 1 1 25 7  66 o -0.9106000E-01 1.408000      ?             ?      
1 1 1 25 7  67 o -0.7314000     1.570000      ?             ?      
1 1 1 25 7  68 o -1.307000      1.590000      ?             ?      
1 1 1 25 8  0  o -0.7646000     1.775000      138.9425      90.0   
1 1 1 25 8  1  o 4.041000       1.133000      690.0381      135.2  
1 1 1 25 8  2  o 49.80000       2.055000      857.0516      62.1   
1 1 1 25 8  3  o 39.19000       1.535000      674.7197      -12.4  
1 1 1 25 8  4  o 72.55000       2.252000      1579.646      146.8  
1 1 1 25 8  5  o 5.680000       1.140000      68.60851      178.3  
1 1 1 25 8  6  o 18.99000       1.277000      396.9960      -86.1  
1 1 1 25 8  7  o 1.481000       1.164000      224.2865      -158.5 
1 1 1 25 8  8  o 9.151000       1.397000      460.0480      -115.3 
1 1 1 25 8  9  o 5.078000       1.165000      315.6956      4.0    
1 1 1 25 8  10 o 165.8000       4.725000      1411.246      172.6  
1 1 1 25 8  11 o 65.16000       2.690000      676.5225      -14.0  
1 1 1 25 8  12 o 33.27000       1.530000      833.6547      128.4  
1 1 1 25 8  13 o 12.80000       1.116000      549.0124      -106.5 
1 1 1 25 8  14 o 4.678000       1.076000      372.1578      -176.8 
1 1 1 25 8  15 o 14.48000       1.491000      611.4405      -103.8 
1 1 1 25 8  16 o 31.93000       1.298000      755.5590      -116.3 
1 1 1 25 8  17 o 17.79000       1.252000      516.5015      -10.6  
1 1 1 25 8  18 o 70.30000       1.840000      1133.798      -175.4 
1 1 1 25 8  19 o 23.90000       1.529000      450.3076      -173.6 
1 1 1 25 8  20 o 27.34000       1.479000      668.0027      101.9  
1 1 1 25 8  21 o 46.44000       1.524000      986.6062      -125.9 
1 1 1 25 8  22 o 10.35000       1.170000      571.8659      -162.5 
1 1 1 25 8  23 o 23.23000       1.277000      639.8244      -178.1 
1 1 1 25 8  24 o 16.80000       1.128000      436.1430      100.9  
1 1 1 25 8  25 o 17.73000       1.142000      601.4964      20.6   
1 1 1 25 8  26 o 43.82000       1.495000      955.9135      -141.1 
1 1 1 25 8  27 o 17.45000       1.264000      570.0903      -162.0 
1 1 1 25 8  28 o 25.10000       1.273000      656.6754      39.9   
1 1 1 25 8  29 o 10.91000       1.199000      449.6095      35.9   
1 1 1 25 8  30 o 16.85000       1.294000      637.6733      -77.5  
1 1 1 25 8  31 o 6.696000       1.342000      302.0795      28.7   
1 1 1 25 8  32 o 27.17000       2.046000      934.6936      8.5    
1 1 1 25 8  33 o 2.846000       1.240000      373.3223      35.4   
1 1 1 25 8  34 o 21.30000       1.323000      575.9689      -166.7 
1 1 1 25 8  35 o 7.174000       1.105000      316.8100      -148.6 
1 1 1 25 8  36 o 2.604000       1.115000      131.8403      7.7    
1 1 1 25 8  37 o 12.68000       1.301000      534.1393      128.5  
1 1 1 25 8  38 o 1.950000       1.310000      279.1325      159.1  
1 1 1 25 8  39 o 2.452000       1.277000      235.1501      99.6   
1 1 1 25 8  40 o 21.11000       1.488000      630.3869      42.8   
1 1 1 25 8  41 o 9.211000       1.481000      442.2076      -64.4  
1 1 1 25 8  42 o 8.010000       1.568000      392.3757      123.8  
1 1 1 25 8  43 o 14.22000       1.364000      507.6553      20.6   
1 1 1 25 8  44 o 5.299000       1.329000      193.2647      120.8  
1 1 1 25 8  45 o 4.531000       1.349000      456.2721      161.9  
1 1 1 25 8  46 o -0.7593000E-02 1.332000      118.4068      -165.7 
1 1 1 25 8  47 o 2.460000       1.353000      207.5530      -53.7  
1 1 1 25 8  48 o 1.512000       1.354000      59.12015      -138.9 
1 1 1 25 8  49 o 20.68000       1.512000      622.9572      113.2  
1 1 1 25 8  50 o 3.986000       1.499000      236.6597      40.7   
1 1 1 25 8  51 o 2.477000       1.631000      ?             ?      
1 1 1 25 8  52 o 2.508000       1.586000      ?             ?      
1 1 1 25 8  53 o 6.599000       1.419000      ?             ?      
1 1 1 25 8  54 o 1.581000       1.275000      ?             ?      
1 1 1 25 8  55 o 5.818000       1.382000      ?             ?      
1 1 1 25 8  56 o -1.825000      1.389000      ?             ?      
1 1 1 25 8  57 o 3.441000       1.424000      ?             ?      
1 1 1 25 8  58 o 1.083000       1.514000      ?             ?      
1 1 1 25 8  59 o -0.2215000     1.489000      ?             ?      
1 1 1 25 8  60 o -0.1911000     1.425000      ?             ?      
1 1 1 25 8  61 o 2.776000       1.484000      ?             ?      
1 1 1 25 8  62 o 3.320000       1.283000      ?             ?      
1 1 1 25 8  63 o 2.042000       1.257000      ?             ?      
1 1 1 25 8  64 o 2.090000       1.260000      ?             ?      
1 1 1 25 8  65 o 0.7579000      1.270000      ?             ?      
1 1 1 25 8  66 o -0.3337000     1.784000      ?             ?      
1 1 1 25 8  67 o -0.5956000E-01 1.493000      ?             ?      
1 1 1 25 8  68 o 1.814000       1.489000      ?             ?      
1 1 1 25 9  0  o 28.05000       1.792000      1312.790      -90.0  
1 1 1 25 9  1  o 26.50000       1.645000      728.3248      -176.0 
1 1 1 25 9  2  o 16.08000       1.301000      813.3990      117.8  
1 1 1 25 9  3  o 12.18000       1.203000      607.4941      -167.3 
1 1 1 25 9  4  o 32.51000       1.426000      625.9318      -104.3 
1 1 1 25 9  5  o 20.06000       1.261000      773.4196      89.6   
1 1 1 25 9  6  o 4.785000       1.147000      150.6077      13.8   
1 1 1 25 9  7  o 37.97000       2.311000      350.9729      -84.2  
1 1 1 25 9  8  o 108.3000       3.306000      1270.108      87.5   
1 1 1 25 9  9  o 17.64000       1.505000      504.6918      127.7  
1 1 1 25 9  10 o 34.39000       1.499000      662.9261      95.1   
1 1 1 25 9  11 o 12.56000       1.137000      507.9968      -123.7 
1 1 1 25 9  12 o 28.00000       1.288000      709.5750      137.4  
1 1 1 25 9  13 o 72.62000       1.860000      1010.144      -52.2  
1 1 1 25 9  14 o 119.6000       3.013000      1408.870      26.1   
1 1 1 25 9  15 o 24.87000       1.237000      778.9113      113.4  
1 1 1 25 9  16 o 10.75000       1.138000      353.8121      27.6   
1 1 1 25 9  17 o -0.4090000     1.210000      101.5342      -117.3 
1 1 1 25 9  18 o 13.08000       1.155000      483.9635      -98.1  
1 1 1 25 9  19 o 8.119000       1.083000      280.5547      -149.0 
1 1 1 25 9  20 o 20.91000       1.338000      444.0785      -1.1   
1 1 1 25 9  21 o 0.1499000      1.053000      86.23566      36.3   
1 1 1 25 9  22 o 4.198000       1.054000      485.3693      179.6  
1 1 1 25 9  23 o 43.57000       1.440000      725.7491      121.6  
1 1 1 25 9  24 o 9.577000       1.060000      611.8833      80.2   
1 1 1 25 9  25 o 6.040000       1.040000      485.7266      -29.1  
1 1 1 25 9  26 o 9.992000       1.193000      257.4926      -18.8  
1 1 1 25 9  27 f 3.152000       1.137000      108.0928      -7.3   
1 1 1 25 9  28 o 6.881000       1.091000      338.6027      41.4   
1 1 1 25 9  29 o 3.672000       1.173000      200.1438      141.8  
1 1 1 25 9  30 o 85.26000       2.789000      1294.855      46.4   
1 1 1 25 9  31 o 5.944000       1.227000      279.7628      -78.8  
1 1 1 25 9  32 o 0.7065000      1.319000      193.3613      115.1  
1 1 1 25 9  33 o 3.206000       1.206000      87.73923      -18.1  
1 1 1 25 9  34 o 1.331000       1.050000      175.3397      69.2   
1 1 1 25 9  35 o 0.1828000      1.062000      260.1204      6.6    
1 1 1 25 9  36 o 12.45000       1.174000      537.1734      17.4   
1 1 1 25 9  37 o 5.902000       1.259000      455.5519      -175.4 
1 1 1 25 9  38 o 2.881000       1.330000      199.7496      162.4  
1 1 1 25 9  39 o 9.835000       1.313000      581.3152      44.5   
1 1 1 25 9  40 o 16.87000       1.642000      501.6324      60.9   
1 1 1 25 9  41 o 5.330000       1.345000      281.7832      3.9    
1 1 1 25 9  42 o 4.616000       1.385000      375.6007      146.9  
1 1 1 25 9  43 o 6.921000       1.408000      311.0140      165.6  
1 1 1 25 9  44 o 12.05000       1.369000      470.8591      14.1   
1 1 1 25 9  45 o 9.300000       1.365000      502.9937      -68.2  
1 1 1 25 9  46 o 17.52000       1.440000      454.5938      60.1   
1 1 1 25 9  47 o 0.1808000      1.325000      271.7815      109.6  
1 1 1 25 9  48 o 11.47000       1.403000      481.0559      -110.7 
1 1 1 25 9  49 o 2.400000       1.356000      253.8044      -69.5  
1 1 1 25 9  50 o 0.4312000      1.462000      161.9731      -102.6 
1 1 1 25 9  51 o 2.101000       1.510000      ?             ?      
1 1 1 25 9  52 o 4.280000       1.470000      ?             ?      
1 1 1 25 9  53 o 2.990000       1.272000      ?             ?      
1 1 1 25 9  54 o 1.522000       1.269000      ?             ?      
1 1 1 25 9  55 o 5.592000       1.287000      ?             ?      
1 1 1 25 9  56 o 1.115000       1.240000      ?             ?      
1 1 1 25 9  57 o 2.138000       1.393000      ?             ?      
1 1 1 25 9  58 o -0.6965000     1.340000      ?             ?      
1 1 1 25 9  59 o 2.884000       1.484000      ?             ?      
1 1 1 25 9  60 o 2.321000       1.585000      ?             ?      
1 1 1 25 9  61 o 0.1363000      1.435000      ?             ?      
1 1 1 25 9  62 o 1.314000       1.264000      ?             ?      
1 1 1 25 9  63 o 1.663000       1.331000      ?             ?      
1 1 1 25 9  64 o -1.775000      1.245000      ?             ?      
1 1 1 25 9  65 o 1.191000       1.395000      ?             ?      
1 1 1 25 9  66 o 1.107000       1.556000      ?             ?      
1 1 1 25 9  67 o 3.729000       1.591000      ?             ?      
1 1 1 25 9  68 o -2.939000      1.829000      ?             ?      
1 1 1 25 10 0  o 2.143000       1.552000      216.4167      -90.0  
1 1 1 25 10 1  o 9.916000       1.169000      687.4410      103.0  
1 1 1 25 10 2  o 29.24000       1.340000      434.2769      10.0   
1 1 1 25 10 3  o 25.76000       1.593000      893.4370      169.7  
1 1 1 25 10 4  o 15.85000       1.231000      839.6791      -129.3 
1 1 1 25 10 5  o 12.03000       1.298000      399.7393      11.7   
1 1 1 25 10 6  o 1.740000       1.167000      121.9085      141.7  
1 1 1 25 10 7  o 34.47000       1.613000      543.5085      80.4   
1 1 1 25 10 8  o 39.99000       2.344000      656.7161      -61.3  
1 1 1 25 10 9  o 204.1000       4.070000      1750.646      129.8  
1 1 1 25 10 10 o 8.912000       1.215000      495.9068      3.7    
1 1 1 25 10 11 o 10.20000       1.293000      456.5209      106.2  
1 1 1 25 10 12 o 70.02000       1.908000      984.1019      119.0  
1 1 1 25 10 13 o 26.43000       1.358000      782.1747      -152.7 
1 1 1 25 10 14 o 14.89000       1.408000      707.9658      -43.1  
1 1 1 25 10 15 o 2.993000       1.180000      223.5865      -73.9  
1 1 1 25 10 16 o 2.220000       1.085000      409.5394      -127.8 
1 1 1 25 10 17 o 54.39000       1.898000      1059.402      -35.4  
1 1 1 25 10 18 o 20.88000       1.289000      483.2141      177.9  
1 1 1 25 10 19 o 34.59000       1.336000      663.8006      -179.2 
1 1 1 25 10 20 o 53.97000       1.927000      1114.947      -15.3  
1 1 1 25 10 21 o 96.42000       2.282000      1411.092      -129.3 
1 1 1 25 10 22 o 88.04000       2.215000      1167.686      159.2  
1 1 1 25 10 23 o 7.518000       1.087000      430.5822      39.5   
1 1 1 25 10 24 o 27.52000       1.321000      838.6666      51.4   
1 1 1 25 10 25 o 13.83000       1.109000      424.7732      147.2  
1 1 1 25 10 26 o 49.13000       1.885000      797.5432      169.0  
1 1 1 25 10 27 o 29.32000       1.409000      591.8888      8.9    
1 1 1 25 10 28 o 17.10000       1.177000      512.5093      -4.3   
1 1 1 25 10 29 o 48.23000       1.713000      968.5374      172.0  
1 1 1 25 10 30 o 1.005000       1.188000      256.4324      -179.9 
1 1 1 25 10 31 o -0.2367000     1.372000      216.4897      150.2  
1 1 1 25 10 32 o 59.09000       2.048000      1051.577      12.4   
1 1 1 25 10 33 o 6.942000       1.111000      389.4944      37.4   
1 1 1 25 10 34 f 12.77000       1.137000      543.8839      -169.9 
1 1 1 25 10 35 o 0.1803000      1.065000      116.4442      -80.8  
1 1 1 25 10 36 o 19.14000       1.230000      548.7971      67.3   
1 1 1 25 10 37 o 4.900000       1.249000      363.6767      154.0  
1 1 1 25 10 38 o 6.257000       1.289000      470.6166      153.8  
1 1 1 25 10 39 o -1.573000      1.350000      296.3176      -133.1 
1 1 1 25 10 40 o 6.720000       1.329000      411.0631      49.8   
1 1 1 25 10 41 o -1.597000      1.314000      43.59872      132.0  
1 1 1 25 10 42 o 1.016000       1.461000      230.3418      60.5   
1 1 1 25 10 43 o -0.9787000     1.367000      190.1799      -93.4  
1 1 1 25 10 44 o 1.983000       1.300000      132.3607      -143.2 
1 1 1 25 10 45 o 1.502000       1.308000      86.79762      61.0   
1 1 1 25 10 46 o 6.790000       1.355000      298.5891      -175.6 
1 1 1 25 10 47 o 2.839000       1.334000      209.7321      53.2   
1 1 1 25 10 48 o 5.270000       1.432000      276.7519      76.0   
1 1 1 25 10 49 o -0.6384000     1.422000      164.0434      -8.9   
1 1 1 25 10 50 o 1.723000       1.522000      306.9438      121.6  
1 1 1 25 10 51 o 1.822000       1.570000      ?             ?      
1 1 1 25 10 52 o 3.402000       1.383000      ?             ?      
1 1 1 25 10 53 o 2.557000       1.246000      ?             ?      
1 1 1 25 10 54 o -1.064000      1.229000      ?             ?      
1 1 1 25 10 55 o 2.435000       1.229000      ?             ?      
1 1 1 25 10 56 o 4.979000       1.258000      ?             ?      
1 1 1 25 10 57 o 0.2096000      1.390000      ?             ?      
1 1 1 25 10 58 o -0.4343000     1.461000      ?             ?      
1 1 1 25 10 59 o 1.113000       1.333000      ?             ?      
1 1 1 25 10 60 o 2.875000       1.330000      ?             ?      
1 1 1 25 10 61 o -0.9831000     1.337000      ?             ?      
1 1 1 25 10 62 o 3.322000       1.379000      ?             ?      
1 1 1 25 10 63 o -0.2629000     1.335000      ?             ?      
1 1 1 25 10 64 o 0.6137000      1.274000      ?             ?      
1 1 1 25 10 65 o 4.957000       1.511000      ?             ?      
1 1 1 25 10 66 o 2.496000       1.483000      ?             ?      
1 1 1 25 10 67 o -0.6239000     1.468000      ?             ?      
1 1 1 25 10 68 o 0.9530000      1.320000      ?             ?      
1 1 1 25 11 0  o 106.0000       5.015000      1462.601      -90.0  
1 1 1 25 11 1  o 18.57000       1.237000      368.0354      158.8  
1 1 1 25 11 2  o 13.66000       1.369000      595.9648      129.9  
1 1 1 25 11 3  o 36.49000       1.702000      663.5189      167.3  
1 1 1 25 11 4  o 146.0000       3.248000      1791.588      -129.3 
1 1 1 25 11 5  o 65.40000       1.946000      1173.212      50.6   
1 1 1 25 11 6  o 24.79000       1.341000      913.9844      -164.6 
1 1 1 25 11 7  o 5.974000       1.209000      509.6277      36.4   
1 1 1 25 11 8  o 88.17000       2.571000      1114.322      98.4   
1 1 1 25 11 9  o 12.40000       1.417000      341.4988      -72.4  
1 1 1 25 11 10 o 78.64000       2.525000      1527.689      -118.8 
1 1 1 25 11 11 o 33.66000       1.713000      757.7535      133.6  
1 1 1 25 11 12 o 0.6998000      1.169000      225.8866      38.9   
1 1 1 25 11 13 o 4.517000       1.095000      465.8749      -1.0   
1 1 1 25 11 14 o 17.72000       1.215000      674.8248      92.8   
1 1 1 25 11 15 o 28.48000       1.681000      902.5141      68.0   
1 1 1 25 11 16 o -0.5163000     1.075000      306.5455      91.0   
1 1 1 25 11 17 o 21.18000       1.221000      441.8291      -83.1  
1 1 1 25 11 18 o 25.23000       1.244000      522.5075      85.2   
1 1 1 25 11 19 o 39.05000       1.417000      994.1865      136.6  
1 1 1 25 11 20 o 51.83000       1.647000      942.0143      -66.6  
1 1 1 25 11 21 o 20.30000       1.285000      552.8477      175.6  
1 1 1 25 11 22 o 12.58000       1.207000      585.3776      73.0   
1 1 1 25 11 23 o 79.82000       2.057000      1301.794      170.4  
1 1 1 25 11 24 o 4.013000       1.130000      404.6040      -29.0  
1 1 1 25 11 25 o 11.18000       1.163000      487.2960      -70.8  
1 1 1 25 11 26 o 19.07000       1.153000      566.9582      -113.2 
1 1 1 25 11 27 o 4.598000       1.049000      246.0725      -24.8  
1 1 1 25 11 28 o 37.82000       1.431000      806.4191      -31.7  
1 1 1 25 11 29 o 10.06000       1.245000      403.9936      40.2   
1 1 1 25 11 30 o 8.394000       1.226000      406.9589      157.8  
1 1 1 25 11 31 o 6.776000       1.251000      461.7645      171.1  
1 1 1 25 11 32 o 6.674000       1.244000      298.6973      62.5   
1 1 1 25 11 33 o 4.832000       1.074000      257.4525      46.9   
1 1 1 25 11 34 o 4.256000       1.080000      202.4345      -155.8 
1 1 1 25 11 35 o 2.701000       1.089000      123.0537      -142.9 
1 1 1 25 11 36 o 7.333000       1.144000      330.9446      52.9   
1 1 1 25 11 37 o 25.87000       1.483000      642.4416      153.8  
1 1 1 25 11 38 o 2.729000       1.269000      249.0189      -61.1  
1 1 1 25 11 39 o 0.4644000      1.360000      129.7045      51.5   
1 1 1 25 11 40 o 6.423000       1.513000      436.1610      124.2  
1 1 1 25 11 41 o 6.028000       1.400000      429.3088      -136.7 
1 1 1 25 11 42 o 1.750000       1.384000      189.0054      109.9  
1 1 1 25 11 43 o 5.068000       1.391000      281.3774      48.8   
1 1 1 25 11 44 o 7.045000       1.431000      426.3411      -55.9  
1 1 1 25 11 45 o 4.524000       1.329000      358.6901      -43.7  
1 1 1 25 11 46 o 10.43000       1.392000      495.6914      174.5  
1 1 1 25 11 47 o 0.4025000      1.341000      154.5366      176.9  
1 1 1 25 11 48 o 5.142000       1.373000      352.3666      178.9  
1 1 1 25 11 49 o -2.581000      1.421000      197.2267      -139.5 
1 1 1 25 11 50 o -0.1499000     1.604000      93.74599      107.7  
1 1 1 25 11 51 o 7.701000       1.490000      ?             ?      
1 1 1 25 11 52 o 1.329000       1.261000      ?             ?      
1 1 1 25 11 53 o 1.267000       1.388000      ?             ?      
1 1 1 25 11 54 o 2.398000       1.215000      ?             ?      
1 1 1 25 11 55 o 1.414000       1.221000      ?             ?      
1 1 1 25 11 56 o -0.2112000     1.225000      ?             ?      
1 1 1 25 11 57 o 3.840000       1.280000      ?             ?      
1 1 1 25 11 58 o 5.531000       1.425000      ?             ?      
1 1 1 25 11 59 o 1.714000       1.325000      ?             ?      
1 1 1 25 11 60 o 1.606000       1.484000      ?             ?      
1 1 1 25 11 61 o 2.822000       1.449000      ?             ?      
1 1 1 25 11 62 o -1.598000      1.323000      ?             ?      
1 1 1 25 11 63 o 0.1456000      1.244000      ?             ?      
1 1 1 25 11 64 o 1.274000       1.398000      ?             ?      
1 1 1 25 11 65 o 5.112000       1.683000      ?             ?      
1 1 1 25 11 66 o 1.412000       2.270000      ?             ?      
1 1 1 25 11 67 o 0.3454000      1.483000      ?             ?      
1 1 1 25 12 0  o 228.5000       8.415000      1793.563      -90.0  
1 1 1 25 12 1  o 9.603000       1.247000      505.1172      -151.7 
1 1 1 25 12 2  o -0.5059000     1.134000      209.4965      176.0  
1 1 1 25 12 3  o 34.80000       1.575000      658.3609      -160.5 
1 1 1 25 12 4  o 73.71000       2.206000      1014.561      -105.1 
1 1 1 25 12 5  o 2.246000       1.195000      155.3209      -98.7  
1 1 1 25 12 6  o 2.082000       1.199000      278.9689      179.3  
1 1 1 25 12 7  o 19.13000       1.319000      703.2515      -110.3 
1 1 1 25 12 8  o 31.75000       1.451000      552.3734      -65.6  
1 1 1 25 12 9  o -1.107000      1.156000      411.4393      77.2   
1 1 1 25 12 10 o 15.54000       1.381000      777.5328      158.6  
1 1 1 25 12 11 o 10.75000       1.217000      513.4727      96.4   
1 1 1 25 12 12 o 26.73000       1.416000      684.0476      -101.1 
1 1 1 25 12 13 o -0.1464000     1.200000      210.3252      -71.1  
1 1 1 25 12 14 o 11.11000       1.143000      408.5493      98.0   
1 1 1 25 12 15 o 53.62000       1.659000      1171.472      130.8  
1 1 1 25 12 16 o 3.410000       1.096000      69.57002      17.7   
1 1 1 25 12 17 o 56.96000       1.666000      1138.635      -139.6 
1 1 1 25 12 18 o -1.543000      1.043000      142.3861      53.5   
1 1 1 25 12 19 o 15.49000       1.242000      802.9634      -82.1  
1 1 1 25 12 20 o 85.27000       2.257000      1279.513      -39.4  
1 1 1 25 12 21 o 37.96000       1.499000      822.8788      158.8  
1 1 1 25 12 22 o 11.67000       1.182000      432.9720      -92.4  
1 1 1 25 12 23 o 23.60000       1.263000      683.9083      89.2   
1 1 1 25 12 24 o 39.43000       1.433000      837.0009      -59.8  
1 1 1 25 12 25 o 26.13000       1.336000      806.5512      63.0   
1 1 1 25 12 26 o 3.360000       1.032000      299.7184      35.6   
1 1 1 25 12 27 o 41.18000       1.467000      728.7205      39.7   
1 1 1 25 12 28 o 8.924000       1.084000      424.8361      127.5  
1 1 1 25 12 29 o 5.319000       1.211000      257.4987      126.7  
1 1 1 25 12 30 o 38.61000       2.686000      735.8151      118.6  
1 1 1 25 12 31 o 10.16000       1.284000      284.8618      -72.1  
1 1 1 25 12 32 o 14.32000       1.169000      582.2931      35.4   
1 1 1 25 12 33 o -0.2065000     1.039000      92.01281      146.0  
1 1 1 25 12 34 o 12.12000       1.157000      295.2166      -152.7 
1 1 1 25 12 35 o 15.76000       1.217000      539.6745      -97.9  
1 1 1 25 12 36 o 11.35000       1.187000      508.3464      119.9  
1 1 1 25 12 37 o 2.561000       1.160000      236.6478      -91.4  
1 1 1 25 12 38 o 15.36000       1.373000      550.7205      -83.2  
1 1 1 25 12 39 o 1.612000       1.384000      169.6696      118.4  
1 1 1 25 12 40 o 28.66000       1.594000      813.0632      -2.6   
1 1 1 25 12 41 o 0.6315000      1.349000      132.3184      48.1   
1 1 1 25 12 42 o 4.396000       1.403000      505.5675      -150.2 
1 1 1 25 12 43 o 8.856000       1.574000      372.8264      127.7  
1 1 1 25 12 44 o 2.972000       1.433000      310.5919      -65.3  
1 1 1 25 12 45 o 13.36000       1.432000      514.0070      -64.5  
1 1 1 25 12 46 o 15.83000       1.456000      586.2968      -126.7 
1 1 1 25 12 47 o 7.715000       1.391000      395.5530      -39.2  
1 1 1 25 12 48 o 13.77000       1.522000      506.5229      127.5  
1 1 1 25 12 49 o 2.767000       1.484000      124.1948      61.8   
1 1 1 25 12 50 o 14.70000       1.719000      ?             ?      
1 1 1 25 12 51 o 2.242000       1.370000      ?             ?      
1 1 1 25 12 52 o 2.461000       1.242000      ?             ?      
1 1 1 25 12 53 o 2.164000       1.238000      ?             ?      
1 1 1 25 12 54 o 1.845000       1.217000      ?             ?      
1 1 1 25 12 55 o 2.480000       1.226000      ?             ?      
1 1 1 25 12 56 o 0.3117000      1.277000      ?             ?      
1 1 1 25 12 57 o 2.557000       1.234000      ?             ?      
1 1 1 25 12 58 o 6.529000       1.420000      ?             ?      
1 1 1 25 12 59 o -0.1595000     1.463000      ?             ?      
1 1 1 25 12 60 o 3.686000       1.355000      ?             ?      
1 1 1 25 12 61 o -2.160000      1.315000      ?             ?      
1 1 1 25 12 62 o 0.4880000      1.340000      ?             ?      
1 1 1 25 12 63 o 2.414000       1.269000      ?             ?      
1 1 1 25 12 64 o -0.5239000     1.391000      ?             ?      
1 1 1 25 12 65 o 4.086000       1.502000      ?             ?      
1 1 1 25 12 66 o 1.394000       1.452000      ?             ?      
1 1 1 25 12 67 o 2.689000       1.418000      ?             ?      
1 1 1 25 13 0  o 2.265000       1.629000      223.0430      90.0   
1 1 1 25 13 1  o 73.03000       2.032000      1094.381      8.9    
1 1 1 25 13 2  o 12.66000       1.307000      718.4905      -130.7 
1 1 1 25 13 3  o 25.55000       1.303000      782.9374      -143.4 
1 1 1 25 13 4  o 30.91000       1.431000      785.2553      -65.4  
1 1 1 25 13 5  o 58.43000       1.883000      1029.250      17.7   
1 1 1 25 13 6  o 6.469000       1.220000      433.2333      -178.7 
1 1 1 25 13 7  o 40.41000       1.598000      656.9952      -5.5   
1 1 1 25 13 8  o 25.23000       1.334000      826.6223      -78.8  
1 1 1 25 13 9  o 2.351000       1.202000      135.0676      19.2   
1 1 1 25 13 10 o 5.454000       1.250000      372.1196      -147.1 
1 1 1 25 13 11 o 57.84000       1.850000      693.6625      -137.7 
1 1 1 25 13 12 o 19.66000       1.258000      523.7906      -105.3 
1 1 1 25 13 13 o 5.496000       1.211000      184.5555      -18.1  
1 1 1 25 13 14 o 7.983000       1.129000      613.7720      -111.1 
1 1 1 25 13 15 o 10.15000       1.322000      490.3694      -18.8  
1 1 1 25 13 16 o 4.958000       1.137000      356.0930      -119.9 
1 1 1 25 13 17 o 3.758000       1.117000      190.9102      56.2   
1 1 1 25 13 18 o 15.42000       1.141000      582.9041      -59.5  
1 1 1 25 13 19 o 46.02000       1.635000      807.0217      103.5  
1 1 1 25 13 20 o 25.14000       1.377000      826.1773      -57.2  
1 1 1 25 13 21 o 29.12000       1.319000      795.3167      79.4   
1 1 1 25 13 22 o 0.4761000      1.059000      68.07877      -3.4   
1 1 1 25 13 23 o 1.180000       1.041000      297.6663      61.7   
1 1 1 25 13 24 o 22.91000       1.236000      600.3130      154.5  
1 1 1 25 13 25 o 25.85000       1.259000      816.6589      91.4   
1 1 1 25 13 26 o 17.54000       1.141000      580.5638      -153.6 
1 1 1 25 13 27 o 9.222000       1.082000      514.6100      15.3   
1 1 1 25 13 28 o 6.844000       1.160000      531.3463      -109.0 
1 1 1 25 13 29 o 15.80000       1.278000      559.4518      -178.3 
1 1 1 25 13 30 o 2.549000       1.303000      381.9739      -166.6 
1 1 1 25 13 31 o 26.07000       1.472000      836.2050      -170.9 
1 1 1 25 13 32 o 10.96000       1.128000      434.2975      3.4    
1 1 1 25 13 33 o 0.5190000      1.054000      119.0603      72.8   
1 1 1 25 13 34 o 5.123000       1.121000      289.1523      -164.7 
1 1 1 25 13 35 o 10.83000       1.200000      663.9443      102.7  
1 1 1 25 13 36 o 6.775000       1.180000      345.8595      82.1   
1 1 1 25 13 37 o 21.56000       1.341000      461.4830      171.8  
1 1 1 25 13 38 o -1.916000      1.265000      134.6862      105.1  
1 1 1 25 13 39 o 18.39000       1.467000      642.0502      126.2  
1 1 1 25 13 40 o 7.393000       1.515000      447.5320      -162.2 
1 1 1 25 13 41 o 7.034000       1.369000      356.5161      -25.3  
1 1 1 25 13 42 o 1.872000       1.403000      205.0415      -128.3 
1 1 1 25 13 43 o 17.79000       1.590000      604.9184      -36.2  
1 1 1 25 13 44 o 8.475000       1.490000      430.1987      -17.2  
1 1 1 25 13 45 o 6.051000       1.481000      414.6990      42.6   
1 1 1 25 13 46 o 4.478000       1.376000      474.3384      -169.0 
1 1 1 25 13 47 o 5.005000       1.373000      383.7356      -95.6  
1 1 1 25 13 48 o 5.006000       1.516000      281.4447      -178.9 
1 1 1 25 13 49 o 4.189000       1.604000      312.5850      -102.3 
1 1 1 25 13 50 o 1.959000       1.451000      ?             ?      
1 1 1 25 13 51 o -0.5787000E-01 1.239000      ?             ?      
1 1 1 25 13 52 o 3.009000       1.223000      ?             ?      
1 1 1 25 13 53 o 6.113000       1.262000      ?             ?      
1 1 1 25 13 54 o 3.184000       1.228000      ?             ?      
1 1 1 25 13 55 o -0.9298000     1.196000      ?             ?      
1 1 1 25 13 56 o 2.385000       1.224000      ?             ?      
1 1 1 25 13 57 o 0.5970000E-01  1.215000      ?             ?      
1 1 1 25 13 58 o 4.273000       1.395000      ?             ?      
1 1 1 25 13 59 o 0.1943000      1.365000      ?             ?      
1 1 1 25 13 60 o 1.380000       1.337000      ?             ?      
1 1 1 25 13 61 o 2.253000       1.330000      ?             ?      
1 1 1 25 13 62 o 0.2306000      1.424000      ?             ?      
1 1 1 25 13 63 o 0.8948000      1.367000      ?             ?      
1 1 1 25 13 64 o 2.415000       1.475000      ?             ?      
1 1 1 25 13 65 f 1.114000       2.226000      ?             ?      
1 1 1 25 13 66 o -0.1524000     1.378000      ?             ?      
1 1 1 25 13 67 o 2.380000       1.316000      ?             ?      
1 1 1 25 14 0  o 0.9984000      1.555000      174.0758      -90.0  
1 1 1 25 14 1  o -1.315000      1.189000      227.6717      101.5  
1 1 1 25 14 2  o 2.643000       1.168000      252.9454      -16.2  
1 1 1 25 14 3  o 1.050000       1.205000      349.4745      49.4   
1 1 1 25 14 4  o 6.553000       1.167000      515.8273      85.5   
1 1 1 25 14 5  o 5.445000       1.170000      105.0656      171.9  
1 1 1 25 14 6  o 9.611000       1.210000      307.7766      -141.2 
1 1 1 25 14 7  o 3.817000       1.243000      312.7624      177.3  
1 1 1 25 14 8  o 3.782000       1.140000      257.7749      -126.4 
1 1 1 25 14 9  o -0.9321000     1.108000      229.0460      93.6   
1 1 1 25 14 10 o 1.353000       1.136000      141.0587      -170.6 
1 1 1 25 14 11 o 2.920000       1.164000      245.3735      -46.1  
1 1 1 25 14 12 o 39.95000       1.694000      1229.381      -61.3  
1 1 1 25 14 13 o 2.497000       1.237000      116.1167      -64.7  
1 1 1 25 14 14 o 81.40000       2.252000      1301.037      97.1   
1 1 1 25 14 15 o 12.23000       1.210000      630.7443      31.9   
1 1 1 25 14 16 o 3.949000       1.135000      221.9867      -81.8  
1 1 1 25 14 17 o 12.02000       1.183000      558.5053      -60.1  
1 1 1 25 14 18 o 0.7356000      1.041000      238.7868      -40.1  
1 1 1 25 14 19 o 18.46000       1.183000      703.7775      1.2    
1 1 1 25 14 20 o 0.2461000      1.049000      268.1734      -4.4   
1 1 1 25 14 21 o 4.777000       1.071000      565.9305      146.5  
1 1 1 25 14 22 o 32.75000       1.366000      986.3166      169.8  
1 1 1 25 14 23 o 13.22000       1.121000      494.2926      161.6  
1 1 1 25 14 24 o 30.70000       1.341000      830.8084      -94.3  
1 1 1 25 14 25 o 14.73000       1.153000      428.1564      41.2   
1 1 1 25 14 26 o 17.99000       1.154000      613.3890      172.5  
1 1 1 25 14 27 o -1.163000      1.074000      125.0733      -80.8  
1 1 1 25 14 28 o 4.415000       1.131000      41.33615      -145.6 
1 1 1 25 14 29 o 10.33000       1.396000      406.9619      8.5    
1 1 1 25 14 30 o 6.800000       1.208000      426.5066      170.2  
1 1 1 25 14 31 o -0.2801000     1.152000      35.02593      -26.1  
1 1 1 25 14 32 o 4.987000       1.101000      482.6586      -119.6 
1 1 1 25 14 33 o 5.882000       1.108000      240.8077      105.9  
1 1 1 25 14 34 o 15.31000       1.223000      502.1764      -142.3 
1 1 1 25 14 35 o 7.146000       1.186000      609.1603      -104.3 
1 1 1 25 14 36 o 10.01000       1.213000      366.4312      143.4  
1 1 1 25 14 37 o 16.12000       1.311000      518.8876      -110.2 
1 1 1 25 14 38 o 17.75000       1.345000      556.4122      -121.1 
1 1 1 25 14 39 o 7.476000       1.376000      387.8849      166.7  
1 1 1 25 14 40 o 16.50000       1.628000      533.0115      1.3    
1 1 1 25 14 41 o -0.2100000E-01 1.343000      82.07017      -94.3  
1 1 1 25 14 42 o 13.20000       1.387000      541.0285      151.4  
1 1 1 25 14 43 o 5.310000       1.473000      264.8802      75.2   
1 1 1 25 14 44 o 8.069000       1.587000      403.7915      -109.9 
1 1 1 25 14 45 o 0.9174000      1.440000      348.7886      -59.0  
1 1 1 25 14 46 o 2.790000       1.550000      246.4598      135.9  
1 1 1 25 14 47 o 2.575000       1.361000      291.1297      -4.0   
1 1 1 25 14 48 o 3.355000       1.492000      216.4290      116.8  
1 1 1 25 14 49 o 3.138000       1.572000      165.8554      -104.3 
1 1 1 25 14 50 o 3.241000       1.436000      ?             ?      
1 1 1 25 14 51 o 1.127000       1.224000      ?             ?      
1 1 1 25 14 52 o 1.462000       1.215000      ?             ?      
1 1 1 25 14 53 o -0.1038000     1.207000      ?             ?      
1 1 1 25 14 54 o 5.280000       1.239000      ?             ?      
1 1 1 25 14 55 o 0.2967000      1.191000      ?             ?      
1 1 1 25 14 56 o 0.3755000      1.205000      ?             ?      
1 1 1 25 14 57 o 1.707000       1.223000      ?             ?      
1 1 1 25 14 58 o 0.9281000      1.222000      ?             ?      
1 1 1 25 14 59 o -0.9093000     1.376000      ?             ?      
1 1 1 25 14 60 o 2.657000       1.380000      ?             ?      
1 1 1 25 14 61 o 2.179000       1.342000      ?             ?      
1 1 1 25 14 62 o 1.545000       1.330000      ?             ?      
1 1 1 25 14 63 o 2.353000       1.499000      ?             ?      
1 1 1 25 14 64 o 0.9208000      1.569000      ?             ?      
1 1 1 25 14 65 o 3.638000       1.458000      ?             ?      
1 1 1 25 14 66 o 0.5229000      1.290000      ?             ?      
1 1 1 25 14 67 o -2.152000      1.294000      ?             ?      
1 1 1 25 15 0  o 1.745000       1.599000      422.1710      90.0   
1 1 1 25 15 1  o 17.13000       1.232000      588.9031      -92.4  
1 1 1 25 15 2  o 16.25000       1.217000      696.8683      109.7  
1 1 1 25 15 3  o 9.899000       1.351000      476.7878      86.1   
1 1 1 25 15 4  o -0.4955000     1.196000      90.50491      -63.0  
1 1 1 25 15 5  o 5.345000       1.232000      422.6393      56.8   
1 1 1 25 15 6  o 14.97000       1.237000      562.7956      -103.2 
1 1 1 25 15 7  o 9.302000       1.199000      249.0827      -34.4  
1 1 1 25 15 8  o 19.43000       1.262000      706.5409      -105.4 
1 1 1 25 15 9  o 19.64000       1.323000      797.8000      -81.5  
1 1 1 25 15 10 o 8.084000       1.200000      387.4556      -152.9 
1 1 1 25 15 11 o 2.121000       1.193000      446.1125      35.4   
1 1 1 25 15 12 o 9.518000       1.182000      619.9252      -56.6  
1 1 1 25 15 13 o 1.383000       1.135000      384.7767      -51.5  
1 1 1 25 15 14 o 9.927000       1.374000      498.1579      -118.8 
1 1 1 25 15 15 o 4.026000       1.111000      284.8948      149.4  
1 1 1 25 15 16 o -0.2925000     1.071000      222.4372      16.6   
1 1 1 25 15 17 o 10.38000       1.120000      511.5040      -45.1  
1 1 1 25 15 18 o 0.2525000      1.066000      62.33433      151.1  
1 1 1 25 15 19 o 5.791000       1.073000      491.3114      109.8  
1 1 1 25 15 20 o 0.1674000      1.043000      93.43977      -52.0  
1 1 1 25 15 21 o 8.012000       1.101000      367.1602      -79.4  
1 1 1 25 15 22 o 13.59000       1.139000      468.3013      -100.8 
1 1 1 25 15 23 o 4.307000       1.048000      290.3723      0.4    
1 1 1 25 15 24 o 20.93000       1.219000      622.1511      114.8  
1 1 1 25 15 25 o 14.41000       1.141000      503.7620      2.7    
1 1 1 25 15 26 o 4.187000       1.057000      101.0089      140.3  
1 1 1 25 15 27 o 18.16000       1.222000      509.5941      -41.0  
1 1 1 25 15 28 o 0.1464000      1.192000      163.9180      -108.1 
1 1 1 25 15 29 o 3.531000       1.240000      254.0134      -61.6  
1 1 1 25 15 30 o 0.8465000      1.159000      172.3004      148.2  
1 1 1 25 15 31 o 5.735000       1.108000      430.8875      -127.6 
1 1 1 25 15 32 o 0.4623000E-01  1.087000      156.6384      174.7  
1 1 1 25 15 33 o 2.052000       1.112000      248.5008      21.4   
1 1 1 25 15 34 o 7.428000       1.166000      399.9035      81.0   
1 1 1 25 15 35 o 5.636000       1.169000      412.9679      44.9   
1 1 1 25 15 36 o 3.366000       1.194000      199.5421      -55.4  
1 1 1 25 15 37 o 5.508000       1.231000      316.8994      -154.4 
1 1 1 25 15 38 o 8.301000       1.264000      492.0458      -60.1  
1 1 1 25 15 39 o 1.081000       1.355000      195.6089      126.7  
1 1 1 25 15 40 o 7.526000       1.540000      344.6247      -115.8 
1 1 1 25 15 41 o 5.112000       1.403000      284.3756      177.3  
1 1 1 25 15 42 o 4.024000       1.433000      318.2030      -30.5  
1 1 1 25 15 43 o 18.56000       1.595000      626.9130      -59.3  
1 1 1 25 15 44 o 1.367000       1.437000      150.2146      52.5   
1 1 1 25 15 45 o 1.174000       1.447000      191.6159      134.1  
1 1 1 25 15 46 o 0.2165000      1.450000      89.20731      10.7   
1 1 1 25 15 47 o 2.321000       1.480000      326.5136      -122.5 
1 1 1 25 15 48 o 0.9189000      1.596000      252.0651      39.8   
1 1 1 25 15 49 o 2.292000       1.447000      ?             ?      
1 1 1 25 15 50 o 2.659000       1.273000      ?             ?      
1 1 1 25 15 51 o -0.1689000     1.225000      ?             ?      
1 1 1 25 15 52 o 3.408000       1.231000      ?             ?      
1 1 1 25 15 53 o 1.244000       1.206000      ?             ?      
1 1 1 25 15 54 o 0.5504000      1.198000      ?             ?      
1 1 1 25 15 55 o 0.7943000E-02  1.194000      ?             ?      
1 1 1 25 15 56 o 2.779000       1.214000      ?             ?      
1 1 1 25 15 57 o 0.5546000      1.210000      ?             ?      
1 1 1 25 15 58 o 0.2145000      1.217000      ?             ?      
1 1 1 25 15 59 o 5.475000       1.425000      ?             ?      
1 1 1 25 15 60 o -1.443000      1.480000      ?             ?      
1 1 1 25 15 61 o 1.465000       1.320000      ?             ?      
1 1 1 25 15 62 o -0.2922000     1.320000      ?             ?      
1 1 1 25 15 63 o -1.514000      1.746000      ?             ?      
1 1 1 25 15 64 o -2.406000      1.747000      ?             ?      
1 1 1 25 15 65 o 1.014000       1.451000      ?             ?      
1 1 1 25 15 66 o 0.4065000      1.299000      ?             ?      
1 1 1 25 16 0  o -0.6400000     1.524000      103.4946      -90.0  
1 1 1 25 16 1  o 13.46000       1.205000      629.8253      164.4  
1 1 1 25 16 2  o 1.953000       1.264000      318.4572      -24.6  
1 1 1 25 16 3  o 9.200000       1.176000      659.0428      105.4  
1 1 1 25 16 4  o 3.818000       1.147000      332.5768      -175.7 
1 1 1 25 16 5  o 1.152000       1.121000      270.0701      -46.3  
1 1 1 25 16 6  o 21.78000       1.283000      748.4838      123.9  
1 1 1 25 16 7  o 3.915000       1.225000      422.8441      -29.6  
1 1 1 25 16 8  o 35.32000       1.603000      786.5144      -14.1  
1 1 1 25 16 9  o 0.2681000      1.229000      226.2174      -49.7  
1 1 1 25 16 10 o 15.72000       1.183000      615.3630      108.6  
1 1 1 25 16 11 o 0.1110000      1.111000      211.8941      -141.3 
1 1 1 25 16 12 o 1.875000       1.141000      236.8910      35.1   
1 1 1 25 16 13 o -0.2735000     1.074000      272.7607      -31.1  
1 1 1 25 16 14 o 2.114000       1.147000      116.4360      26.2   
1 1 1 25 16 15 o 1.812000       1.151000      160.2181      4.9    
1 1 1 25 16 16 o 0.7451000      1.057000      347.4822      -106.4 
1 1 1 25 16 17 o 11.90000       1.148000      521.1280      16.2   
1 1 1 25 16 18 o 0.5329000      1.071000      314.9449      72.9   
1 1 1 25 16 19 o 10.54000       1.124000      568.6110      -67.9  
1 1 1 25 16 20 o 16.00000       1.182000      568.6006      -125.7 
1 1 1 25 16 21 o 1.675000       1.037000      39.54354      137.0  
1 1 1 25 16 22 o 7.378000       1.089000      363.8065      116.0  
1 1 1 25 16 23 o 10.71000       1.101000      420.3853      -107.2 
1 1 1 25 16 24 o 3.288000       1.037000      165.5784      103.3  
1 1 1 25 16 25 o 1.038000       1.032000      340.0218      163.7  
1 1 1 25 16 26 o 4.235000       1.134000      285.5993      -154.7 
1 1 1 25 16 27 o 3.007000       1.168000      233.8699      170.7  
1 1 1 25 16 28 o 4.327000       1.231000      296.0040      20.6   
1 1 1 25 16 29 o -1.723000      1.148000      139.3224      -84.5  
1 1 1 25 16 30 o 3.696000       1.134000      145.9458      170.1  
1 1 1 25 16 31 f 3.325000       1.052000      271.7162      135.7  
1 1 1 25 16 32 o 4.053000       1.136000      426.1052      -108.0 
1 1 1 25 16 33 o 1.691000       1.145000      201.8501      123.1  
1 1 1 25 16 34 o -0.2990000     1.139000      162.6642      -35.9  
1 1 1 25 16 35 o 15.99000       1.296000      615.7487      -62.2  
1 1 1 25 16 36 o 9.934000       1.252000      531.2728      142.0  
1 1 1 25 16 37 o 1.810000       1.220000      205.5957      -94.0  
1 1 1 25 16 38 o 11.07000       1.289000      425.9544      -170.3 
1 1 1 25 16 39 o -0.7037000     1.367000      165.2313      42.3   
1 1 1 25 16 40 o 4.296000       1.420000      350.1725      2.7    
1 1 1 25 16 41 o 0.1154000      1.532000      256.1198      -54.8  
1 1 1 25 16 42 o 2.945000       1.415000      163.7634      100.2  
1 1 1 25 16 43 o 4.138000       1.310000      308.5883      95.8   
1 1 1 25 16 44 o -0.3505000     1.445000      124.1401      -93.2  
1 1 1 25 16 45 o 5.583000       1.626000      266.7044      114.6  
1 1 1 25 16 46 o 2.581000       1.485000      213.5576      113.5  
1 1 1 25 16 47 o -2.001000      1.478000      51.99899      166.4  
1 1 1 25 16 48 o 1.206000       1.599000      222.5000      -109.1 
1 1 1 25 16 49 o -1.423000      1.405000      ?             ?      
1 1 1 25 16 50 o 1.752000       1.233000      ?             ?      
1 1 1 25 16 51 o 2.474000       1.240000      ?             ?      
1 1 1 25 16 52 o 1.968000       1.224000      ?             ?      
1 1 1 25 16 53 o 2.642000       1.200000      ?             ?      
1 1 1 25 16 54 o 1.643000       1.190000      ?             ?      
1 1 1 25 16 55 o 1.896000       1.203000      ?             ?      
1 1 1 25 16 56 o -0.1165000E-01 1.201000      ?             ?      
1 1 1 25 16 57 o 1.311000       1.209000      ?             ?      
1 1 1 25 16 58 o 1.267000       1.219000      ?             ?      
1 1 1 25 16 59 o 1.367000       1.385000      ?             ?      
1 1 1 25 16 60 o -0.3979000     1.375000      ?             ?      
1 1 1 25 16 61 o -0.6845000E-01 1.333000      ?             ?      
1 1 1 25 16 62 o 0.2035000      1.369000      ?             ?      
1 1 1 25 16 63 o 2.911000       1.639000      ?             ?      
1 1 1 25 16 64 o -0.5458000     1.594000      ?             ?      
1 1 1 25 16 65 o -0.5928000E-01 1.306000      ?             ?      
1 1 1 25 16 66 o -1.630000      1.764000      ?             ?      
1 1 1 25 17 0  o 8.047000       1.544000      525.5250      -90.0  
1 1 1 25 17 1  o 9.155000       1.183000      575.4734      75.0   
1 1 1 25 17 2  o -1.264000      1.113000      160.0489      66.0   
1 1 1 25 17 3  o 13.42000       1.202000      512.6169      168.1  
1 1 1 25 17 4  o -0.4881000     1.128000      109.8294      155.9  
1 1 1 25 17 5  o 1.159000       1.272000      390.1127      -3.7   
1 1 1 25 17 6  o 6.010000       1.131000      413.9080      99.0   
1 1 1 25 17 7  o 0.2947000      1.094000      91.27311      62.3   
1 1 1 25 17 8  o 15.37000       1.294000      598.2899      -87.0  
1 1 1 25 17 9  o 6.741000       1.201000      432.4895      172.0  
1 1 1 25 17 10 o 1.851000       1.093000      354.5218      118.7  
1 1 1 25 17 11 o 1.146000       1.050000      152.1643      64.2   
1 1 1 25 17 12 o 5.407000       1.080000      383.1099      -70.0  
1 1 1 25 17 13 o 1.010000       1.094000      360.1666      -155.6 
1 1 1 25 17 14 o 3.074000       1.148000      116.0447      29.2   
1 1 1 25 17 15 o 5.509000       1.152000      379.0465      -12.5  
1 1 1 25 17 16 o 3.520000       1.190000      204.5963      -19.3  
1 1 1 25 17 17 o 11.58000       1.149000      537.5870      -74.7  
1 1 1 25 17 18 o 1.934000       1.073000      258.0121      -152.1 
1 1 1 25 17 19 o 4.198000       1.078000      257.0085      -17.0  
1 1 1 25 17 20 o 5.599000       1.074000      417.2735      10.8   
1 1 1 25 17 21 o 11.63000       1.112000      494.5918      -101.8 
1 1 1 25 17 22 o 0.5494000      1.028000      114.4603      -170.2 
1 1 1 25 17 23 o 1.117000       1.029000      213.4402      43.2   
1 1 1 25 17 24 o -1.722000      1.024000      270.1158      19.4   
1 1 1 25 17 25 o 4.266000       1.047000      304.3625      -74.7  
1 1 1 25 17 26 o 4.409000       1.135000      273.6945      -65.6  
1 1 1 25 17 27 o 8.094000       1.305000      447.0732      -43.2  
1 1 1 25 17 28 o 0.9945000E-01  1.221000      80.58730      100.3  
1 1 1 25 17 29 o 8.631000       1.183000      369.3831      -28.6  
1 1 1 25 17 30 o 0.8097000      1.038000      145.9364      -159.6 
1 1 1 25 17 31 o 1.374000       1.093000      367.8564      -100.6 
1 1 1 25 17 32 o 4.514000       1.123000      343.7077      135.4  
1 1 1 25 17 33 o 8.030000       1.204000      392.5709      28.9   
1 1 1 25 17 34 o 1.860000       1.166000      267.3387      10.6   
1 1 1 25 17 35 o 2.799000       1.193000      193.2373      -35.0  
1 1 1 25 17 36 o 2.370000       1.194000      285.4682      4.6    
1 1 1 25 17 37 o 5.348000       1.232000      291.2833      -157.1 
1 1 1 25 17 38 o -0.7755000     1.200000      48.35852      -127.4 
1 1 1 25 17 39 o 1.497000       1.229000      245.6225      -152.2 
1 1 1 25 17 40 o -0.4873000     1.420000      114.4361      -10.4  
1 1 1 25 17 41 o -1.159000      1.543000      41.61526      -33.2  
1 1 1 25 17 42 o 2.769000       1.409000      258.1645      1.2    
1 1 1 25 17 43 o -0.4434000     1.291000      33.37275      -152.9 
1 1 1 25 17 44 o 1.614000       1.455000      197.9822      145.7  
1 1 1 25 17 45 o 0.7692000      1.474000      78.94753      127.9  
1 1 1 25 17 46 o 2.815000       1.636000      174.1125      -136.8 
1 1 1 25 17 47 o -0.5664000E-01 1.671000      154.2744      -177.1 
1 1 1 25 17 48 o 1.497000       1.635000      ?             ?      
1 1 1 25 17 49 o 2.815000       1.248000      ?             ?      
1 1 1 25 17 50 o -0.5079000     1.229000      ?             ?      
1 1 1 25 17 51 f 0.7125000      1.219000      ?             ?      
1 1 1 25 17 52 o -0.2975000     1.220000      ?             ?      
1 1 1 25 17 53 o 1.395000       1.185000      ?             ?      
1 1 1 25 17 54 o -0.1327000     1.174000      ?             ?      
1 1 1 25 17 55 o 1.409000       1.188000      ?             ?      
1 1 1 25 17 56 o -1.036000      1.182000      ?             ?      
1 1 1 25 17 57 o -0.2857000     1.215000      ?             ?      
1 1 1 25 17 58 o 0.4172000      1.226000      ?             ?      
1 1 1 25 17 59 o -0.1494000     1.213000      ?             ?      
1 1 1 25 17 60 o 0.8583000      1.383000      ?             ?      
1 1 1 25 17 61 o 1.093000       1.341000      ?             ?      
1 1 1 25 17 62 o -0.4606000     1.614000      ?             ?      
1 1 1 25 17 63 o -1.143000      1.663000      ?             ?      
1 1 1 25 17 64 o 4.254000       1.788000      ?             ?      
1 1 1 25 17 65 o 0.4384000      1.406000      ?             ?      
1 1 1 25 17 66 o 0.4266000      1.311000      ?             ?      
1 1 1 25 18 0  o 2.088000       1.467000      119.2396      90.0   
1 1 1 25 18 1  o 1.362000       1.036000      258.6864      -171.7 
1 1 1 25 18 2  o 8.202000       1.181000      482.8051      -148.8 
1 1 1 25 18 3  o 1.333000       1.179000      205.5981      -157.9 
1 1 1 25 18 4  o 2.420000       1.269000      58.18011      -70.9  
1 1 1 25 18 5  o 9.674000       1.392000      389.0627      102.9  
1 1 1 25 18 6  o 4.215000       1.137000      295.5523      104.6  
1 1 1 25 18 7  o 10.69000       1.210000      498.1063      -46.9  
1 1 1 25 18 8  o 3.498000       1.119000      351.4267      -42.2  
1 1 1 25 18 9  o 3.454000       1.099000      359.6418      -141.9 
1 1 1 25 18 10 o -0.5374000     1.042000      130.6799      -158.4 
1 1 1 25 18 11 o -1.266000      1.045000      155.1864      48.8   
1 1 1 25 18 12 o -0.5486000     1.054000      108.5217      -137.7 
1 1 1 25 18 13 o -1.295000      1.070000      152.4437      -42.9  
1 1 1 25 18 14 o 0.9894000      1.120000      96.82249      118.2  
1 1 1 25 18 15 o 5.729000       1.157000      371.4305      99.5   
1 1 1 25 18 16 o 2.446000       1.140000      300.4476      -9.4   
1 1 1 25 18 17 o 0.7347000      1.073000      310.1697      23.0   
1 1 1 25 18 18 o -0.7970000E-01 1.047000      92.04066      37.0   
1 1 1 25 18 19 o 2.772000       1.066000      195.9057      -61.9  
1 1 1 25 18 20 o 2.607000       1.053000      233.2095      165.5  
1 1 1 25 18 21 o -0.6384000E-01 1.028000      115.7286      -155.5 
1 1 1 25 18 22 o 1.129000       1.032000      159.3754      34.7   
1 1 1 25 18 23 o 1.911000       1.039000      161.7952      145.6  
1 1 1 25 18 24 o -1.128000      1.040000      104.2339      36.0   
1 1 1 25 18 25 f 3.744000       1.124000      238.2411      -97.3  
1 1 1 25 18 26 o 2.679000       1.149000      141.0318      34.8   
1 1 1 25 18 27 o 1.334000       1.169000      152.2662      -175.2 
1 1 1 25 18 28 o 0.5539000      1.185000      95.84607      60.7   
1 1 1 25 18 29 o -1.257000      1.124000      99.47092      -77.0  
1 1 1 25 18 30 o 6.868000       1.084000      361.9406      14.5   
1 1 1 25 18 31 o 9.150000       1.159000      432.7767      165.4  
1 1 1 25 18 32 o 3.078000       1.121000      238.3477      -88.4  
1 1 1 25 18 33 o 1.530000       1.121000      281.1116      -6.0   
1 1 1 25 18 34 o -0.8084000E-02 1.149000      85.26869      -37.4  
1 1 1 25 18 35 o 0.2565000      1.162000      155.1734      -100.4 
1 1 1 25 18 36 o 1.195000       1.159000      99.56518      141.3  
1 1 1 25 18 37 o -0.4678000     1.183000      88.69395      -16.9  
1 1 1 25 18 38 o 3.450000       1.214000      216.2699      134.2  
1 1 1 25 18 39 o 3.756000       1.257000      255.7277      -21.5  
1 1 1 25 18 40 o 2.829000       1.430000      118.4799      53.2   
1 1 1 25 18 41 o 0.8704000      1.484000      150.3960      168.2  
1 1 1 25 18 42 o 0.4133000      1.416000      214.3344      119.2  
1 1 1 25 18 43 o 0.6947000      1.395000      195.8138      171.2  
1 1 1 25 18 44 o -0.3696000     1.280000      136.7867      -94.3  
1 1 1 25 18 45 o -2.406000      1.438000      128.7960      66.5   
1 1 1 25 18 46 o 2.087000       1.842000      185.5624      128.8  
1 1 1 25 18 47 o -1.455000      1.697000      20.84517      -125.8 
1 1 1 25 18 48 o 1.363000       1.665000      ?             ?      
1 1 1 25 18 49 o -1.289000      1.215000      ?             ?      
1 1 1 25 18 50 o 0.1467000      1.215000      ?             ?      
1 1 1 25 18 51 o 0.8223000      1.208000      ?             ?      
1 1 1 25 18 52 o 0.3600000E-01  1.186000      ?             ?      
1 1 1 25 18 53 o 0.3800000E-01  1.172000      ?             ?      
1 1 1 25 18 54 o 0.2432000      1.169000      ?             ?      
1 1 1 25 18 55 o 0.3212000      1.185000      ?             ?      
1 1 1 25 18 56 o -0.4786000     1.177000      ?             ?      
1 1 1 25 18 57 o -1.869000      1.203000      ?             ?      
1 1 1 25 18 58 o 1.173000       1.216000      ?             ?      
1 1 1 25 18 59 o 0.2773000      1.204000      ?             ?      
1 1 1 25 18 60 o 2.944000       1.371000      ?             ?      
1 1 1 25 18 61 o 2.885000       1.687000      ?             ?      
1 1 1 25 18 62 o -1.182000      1.604000      ?             ?      
1 1 1 25 18 63 o -1.696000      1.423000      ?             ?      
1 1 1 25 18 64 o -0.1006000     1.381000      ?             ?      
1 1 1 25 18 65 o 2.179000       1.417000      ?             ?      
1 1 1 25 18 66 o -2.629000      4.234000      ?             ?      
1 1 1 25 19 0  o 0.6844000      1.901000      226.8791      -90.0  
1 1 1 25 19 1  o 5.472000       1.182000      330.8182      -61.6  
1 1 1 25 19 2  o 2.035000       1.000000      126.1642      -115.8 
1 1 1 25 19 3  o -1.495000      1.073000      181.2481      71.4   
1 1 1 25 19 4  o -1.070000      1.099000      263.8836      63.5   
1 1 1 25 19 5  o 4.636000       1.082000      324.8706      95.0   
1 1 1 25 19 6  o 0.8589000      1.077000      221.3749      169.0  
1 1 1 25 19 7  o -2.647000      1.201000      98.79272      52.5   
1 1 1 25 19 8  o -3.264000      1.177000      167.6085      -1.0   
1 1 1 25 19 9  o 0.3499000E-01  1.012000      131.5626      57.6   
1 1 1 25 19 10 o -0.1082000     1.051000      41.22039      -14.1  
1 1 1 25 19 11 o 4.248000       1.102000      202.1862      102.0  
1 1 1 25 19 12 o 2.471000       1.054000      255.9977      -141.9 
1 1 1 25 19 13 o 0.8224000      1.089000      120.2607      159.6  
1 1 1 25 19 14 o 1.671000       1.118000      283.6245      42.2   
1 1 1 25 19 15 o 3.041000       1.152000      348.1979      -51.2  
1 1 1 25 19 16 o -1.055000      1.132000      150.4428      -156.5 
1 1 1 25 19 17 o 1.667000       1.109000      128.1540      102.8  
1 1 1 25 19 18 o 1.473000       1.055000      73.65820      -177.6 
1 1 1 25 19 19 o 6.894000       1.075000      322.4542      -18.5  
1 1 1 25 19 20 o -0.9867000     1.048000      204.3322      -161.2 
1 1 1 25 19 21 o -0.9798000     1.026000      16.72456      -47.4  
1 1 1 25 19 22 o 1.231000       1.016000      143.4843      36.3   
1 1 1 25 19 23 o 1.313000       1.018000      170.9433      128.1  
1 1 1 25 19 24 o 0.8191000      1.056000      165.6149      -42.4  
1 1 1 25 19 25 o -0.7786000     1.133000      114.4399      -12.4  
1 1 1 25 19 26 o 0.1281000      1.206000      167.0509      -49.2  
1 1 1 25 19 27 o 0.3673000      1.214000      81.97531      -114.3 
1 1 1 25 19 28 o 1.314000       1.139000      174.3874      -4.4   
1 1 1 25 19 29 o 3.233000       1.058000      178.0446      -42.9  
1 1 1 25 19 30 o 1.140000       1.070000      163.9530      -121.9 
1 1 1 25 19 31 o 0.5789000      1.082000      162.3101      66.5   
1 1 1 25 19 32 o 1.741000       1.076000      133.3109      172.2  
1 1 1 25 19 33 o 1.285000       1.088000      95.39087      41.9   
1 1 1 25 19 34 o -0.1499000     1.108000      203.5992      50.3   
1 1 1 25 19 35 o 2.621000       1.169000      155.0935      -18.3  
1 1 1 25 19 36 o -1.176000      1.156000      71.33647      21.2   
1 1 1 25 19 37 o 3.969000       1.214000      280.9108      -173.5 
1 1 1 25 19 38 o -0.4234000     1.218000      235.5208      167.2  
1 1 1 25 19 39 o 1.952000       1.243000      178.9067      -99.6  
1 1 1 25 19 40 o 2.061000       1.446000      182.4019      -21.9  
1 1 1 25 19 41 o -1.266000      1.455000      122.0821      -124.6 
1 1 1 25 19 42 o 1.253000       1.571000      114.3594      22.0   
1 1 1 25 19 43 o 0.9340000      1.396000      117.4685      -35.4  
1 1 1 25 19 44 o -1.592000      1.272000      77.37788      -98.0  
1 1 1 25 19 45 o -0.6430000     1.612000      105.2178      177.6  
1 1 1 25 19 46 o -2.646000      2.074000      48.76458      177.6  
1 1 1 25 19 47 o 1.839000       1.625000      ?             ?      
1 1 1 25 19 48 o -2.310000      1.324000      ?             ?      
1 1 1 25 19 49 o 1.149000       1.207000      ?             ?      
1 1 1 25 19 50 o 0.9172000      1.202000      ?             ?      
1 1 1 25 19 51 o -2.025000      1.194000      ?             ?      
1 1 1 25 19 52 o 0.5031000      1.177000      ?             ?      
1 1 1 25 19 53 o -1.169000      1.170000      ?             ?      
1 1 1 25 19 54 o 1.136000       1.165000      ?             ?      
1 1 1 25 19 55 o -1.447000      1.172000      ?             ?      
1 1 1 25 19 56 o 2.152000       1.202000      ?             ?      
1 1 1 25 19 57 o -0.4086000     1.205000      ?             ?      
1 1 1 25 19 58 o 0.2725000      1.200000      ?             ?      
1 1 1 25 19 59 o -0.8967000     1.202000      ?             ?      
1 1 1 25 19 60 o 1.194000       1.394000      ?             ?      
1 1 1 25 19 61 o 0.7019000      1.652000      ?             ?      
1 1 1 25 19 62 o -1.205000      1.695000      ?             ?      
1 1 1 25 19 63 o -0.1349000     1.442000      ?             ?      
1 1 1 25 19 64 o -0.9235000     1.381000      ?             ?      
1 1 1 25 19 65 o 1.978000       1.514000      ?             ?      
1 1 1 25 20 0  o 0.3842000      1.616000      177.2785      90.0   
1 1 1 25 20 1  o -0.7577000E-01 1.085000      5.014202      -44.6  
1 1 1 25 20 2  o 1.914000       1.010000      102.0349      34.6   
1 1 1 25 20 3  o -1.146000      1.430000      113.5138      -82.2  
1 1 1 25 20 4  o -2.983000      1.248000      40.79659      -33.4  
1 1 1 25 20 5  o 0.2921000      1.038000      120.9761      168.3  
1 1 1 25 20 6  o -0.9227000     1.012000      34.11367      79.5   
1 1 1 25 20 7  o -1.500000      1.019000      64.28616      -29.4  
1 1 1 25 20 8  o -0.4604000     1.031000      137.6982      156.4  
1 1 1 25 20 9  o 0.2049000      1.220000      84.55432      -110.4 
1 1 1 25 20 10 o -1.085000      1.272000      102.6341      178.3  
1 1 1 25 20 11 o -2.277000      1.077000      197.4594      11.7   
1 1 1 25 20 12 o 0.9984000      1.093000      104.3364      -96.8  
1 1 1 25 20 13 o -1.401000      1.087000      146.0094      164.5  
1 1 1 25 20 14 o 1.022000       1.107000      176.1426      34.1   
1 1 1 25 20 15 o 0.8877000E-01  1.139000      62.03721      48.2   
1 1 1 25 20 16 o -1.358000      1.119000      65.65637      -125.6 
1 1 1 25 20 17 o 0.2230000      1.124000      116.9995      -75.2  
1 1 1 25 20 18 o -1.004000      1.117000      47.62315      -142.9 
1 1 1 25 20 19 o 1.604000       1.046000      154.1505      -145.4 
1 1 1 25 20 20 o 1.980000       1.086000      198.3663      146.7  
1 1 1 25 20 21 o -1.348000      1.034000      91.32455      -64.1  
1 1 1 25 20 22 o -1.574000      1.014000      78.38508      46.5   
1 1 1 25 20 23 o -0.4409000     1.008000      156.2567      48.4   
1 1 1 25 20 24 o 0.2757000      1.091000      28.09993      -127.9 
1 1 1 25 20 25 o -2.080000      1.218000      37.81049      -125.9 
1 1 1 25 20 26 o -0.4488000     1.165000      80.57014      129.5  
1 1 1 25 20 27 o 0.6681000      1.195000      81.03894      64.7   
1 1 1 25 20 28 o -0.4974000     1.112000      90.37351      4.5    
1 1 1 25 20 29 o -2.281000      1.042000      84.46645      43.0   
1 1 1 25 20 30 o 2.579000       1.081000      104.4753      44.0   
1 1 1 25 20 31 o 1.973000       1.064000      177.4554      166.3  
1 1 1 25 20 32 o 0.5499000      1.034000      126.0268      -97.6  
1 1 1 25 20 33 o -1.609000      1.053000      57.09956      -135.5 
1 1 1 25 20 34 o 0.6449000      1.095000      156.1665      -112.4 
1 1 1 25 20 35 o -1.645000      1.115000      44.42125      -56.1  
1 1 1 25 20 36 o 2.128000       1.188000      66.81832      158.9  
1 1 1 25 20 37 o 1.500000       1.752000      62.42097      -11.9  
1 1 1 25 20 38 o 1.946000       1.233000      50.15520      -3.0   
1 1 1 25 20 39 o -0.9987000     1.244000      93.84845      162.8  
1 1 1 25 20 40 o 0.5316000      1.270000      120.6162      165.2  
1 1 1 25 20 41 o 1.117000       1.426000      106.8381      61.5   
1 1 1 25 20 42 o 1.179000       1.552000      68.92366      90.1   
1 1 1 25 20 43 o 3.033000       1.407000      95.67839      -126.7 
1 1 1 25 20 44 o 0.7174000      1.388000      118.6373      34.4   
1 1 1 25 20 45 o -0.1942000     1.381000      107.4773      87.1   
1 1 1 25 20 46 o -0.8475000     2.081000      71.35275      141.0  
1 1 1 25 20 47 o -2.151000      1.744000      ?             ?      
1 1 1 25 20 48 o 0.7333000      1.325000      ?             ?      
1 1 1 25 20 49 o 0.9364000      1.212000      ?             ?      
1 1 1 25 20 50 o 1.510000       1.209000      ?             ?      
1 1 1 25 20 51 o 1.217000       1.191000      ?             ?      
1 1 1 25 20 52 o 1.086000       1.181000      ?             ?      
1 1 1 25 20 53 o 3.436000       1.175000      ?             ?      
1 1 1 25 20 54 o 0.8712000      1.177000      ?             ?      
1 1 1 25 20 55 o -0.1377000     1.184000      ?             ?      
1 1 1 25 20 56 o 1.273000       1.205000      ?             ?      
1 1 1 25 20 57 o 1.076000       1.206000      ?             ?      
1 1 1 25 20 58 o -1.147000      1.195000      ?             ?      
1 1 1 25 20 59 o 0.9744000E-01  1.216000      ?             ?      
1 1 1 25 20 60 o 1.028000       1.234000      ?             ?      
1 1 1 25 20 61 o -0.6155000     1.653000      ?             ?      
1 1 1 25 20 62 o -1.662000      1.777000      ?             ?      
1 1 1 25 20 63 o 0.9069000      1.373000      ?             ?      
1 1 1 25 20 64 o 0.3812000      1.280000      ?             ?      
1 1 1 25 20 65 o -1.585000      1.512000      ?             ?      
1 1 1 25 21 0  o -2.364000      1.379000      10.87525      90.0   
1 1 1 25 21 1  o -0.6738000     0.9688000     64.72132      -166.0 
1 1 1 25 21 2  o 0.3699000      1.062000      128.8546      60.2   
1 1 1 25 21 3  o -0.9745000     1.027000      162.2106      63.1   
1 1 1 25 21 4  o 1.345000       1.043000      128.7678      -177.4 
1 1 1 25 21 5  o -1.043000      1.080000      145.6084      106.2  
1 1 1 25 21 6  o -2.035000      1.277000      89.29720      -98.6  
1 1 1 25 21 7  o -1.187000      1.064000      67.69261      144.9  
1 1 1 25 21 8  o -1.919000      1.022000      74.60664      40.3   
1 1 1 25 21 9  o 0.4150000      1.051000      168.1541      50.4   
1 1 1 25 21 10 o -1.193000      1.086000      47.63783      68.1   
1 1 1 25 21 11 o -1.534000      1.079000      188.3515      -130.4 
1 1 1 25 21 12 o 0.3147000      1.310000      48.37522      24.5   
1 1 1 25 21 13 o -1.095000      1.283000      30.77998      5.5    
1 1 1 25 21 14 o -1.063000      1.079000      84.05014      -38.9  
1 1 1 25 21 15 o -0.7084000     1.142000      58.45784      67.0   
1 1 1 25 21 16 o -0.6112000     1.167000      127.1129      -60.9  
1 1 1 25 21 17 o -0.5908000     1.190000      23.46236      -17.8  
1 1 1 25 21 18 o -0.8249000     1.088000      66.26025      24.3   
1 1 1 25 21 19 o -1.123000      1.117000      65.33741      15.6   
1 1 1 25 21 20 o -0.4169000     1.037000      43.23803      -118.6 
1 1 1 25 21 21 o -0.8769000     1.029000      41.71968      123.7  
1 1 1 25 21 22 o -0.7897000     1.027000      94.32609      81.8   
1 1 1 25 21 23 o 0.8955000      1.093000      150.1811      137.7  
1 1 1 25 21 24 o -1.123000      1.076000      21.59162      60.5   
1 1 1 25 21 25 o 2.053000       1.179000      81.91518      97.7   
1 1 1 25 21 26 o 0.7001000      1.213000      105.6433      -104.5 
1 1 1 25 21 27 o 0.1157000      1.092000      82.62013      -122.6 
1 1 1 25 21 28 o 1.125000       1.007000      20.82955      20.6   
1 1 1 25 21 29 o 1.000000       1.060000      121.4872      -114.9 
1 1 1 25 21 30 o -2.095000      1.062000      144.1004      172.5  
1 1 1 25 21 31 o -0.2864000     1.044000      71.22582      129.4  
1 1 1 25 21 32 o -0.2710000E-01 1.037000      167.8656      -97.6  
1 1 1 25 21 33 o 0.2904000      1.048000      53.56438      35.9   
1 1 1 25 21 34 o 0.2464000      1.083000      27.14041      88.0   
1 1 1 25 21 35 o -1.485000      1.134000      128.4690      -1.4   
1 1 1 25 21 36 f 1.542000       1.171000      47.56310      172.2  
1 1 1 25 21 37 o -1.196000      1.224000      85.49080      120.0  
1 1 1 25 21 38 o 0.3038000E-01  1.244000      100.3244      -114.8 
1 1 1 25 21 39 o 2.697000       1.269000      52.82134      40.9   
1 1 1 25 21 40 o 1.059000       1.685000      34.15538      111.0  
1 1 1 25 21 41 o -0.8127000E-01 1.404000      53.16377      -61.6  
1 1 1 25 21 42 o -1.443000      1.441000      88.06620      23.2   
1 1 1 25 21 43 o 1.336000       1.404000      60.40681      119.7  
1 1 1 25 21 44 o -1.138000      1.421000      33.16888      156.2  
1 1 1 25 21 45 o -1.126000      1.475000      76.20542      -159.6 
1 1 1 25 21 46 o -1.910000      1.645000      ?             ?      
1 1 1 25 21 47 o -0.5220000     1.360000      ?             ?      
1 1 1 25 21 48 o -2.010000      1.416000      ?             ?      
1 1 1 25 21 49 o -0.8673000E-01 1.289000      ?             ?      
1 1 1 25 21 50 o -0.5764000     1.215000      ?             ?      
1 1 1 25 21 51 o 0.7434000      1.200000      ?             ?      
1 1 1 25 21 52 o -0.6393000     1.179000      ?             ?      
1 1 1 25 21 53 o -1.365000      1.175000      ?             ?      
1 1 1 25 21 54 o -0.4320000     1.171000      ?             ?      
1 1 1 25 21 55 o 0.1150000      1.175000      ?             ?      
1 1 1 25 21 56 o 0.2931000      1.180000      ?             ?      
1 1 1 25 21 57 o 0.6840000      1.206000      ?             ?      
1 1 1 25 21 58 o 0.5834000      1.196000      ?             ?      
1 1 1 25 21 59 o 0.7647000      1.223000      ?             ?      
1 1 1 25 21 60 o 1.485000       1.401000      ?             ?      
1 1 1 25 21 61 o -2.260000      2.037000      ?             ?      
1 1 1 25 21 62 o -1.894000      1.808000      ?             ?      
1 1 1 25 21 63 o -1.459000      1.833000      ?             ?      
1 1 1 25 21 64 o -2.479000      1.290000      ?             ?      
1 1 1 25 22 0  o -0.7392000     1.382000      46.03485      90.0   
1 1 1 25 22 1  o 0.2037000E-01  0.9690000     182.9222      -127.0 
1 1 1 25 22 2  o 1.082000       0.9688000     26.58693      -82.6  
1 1 1 25 22 3  o -1.554000      0.9504000     139.3510      -102.7 
1 1 1 25 22 4  o 0.4425000E-02  1.040000      84.94266      -107.7 
1 1 1 25 22 5  o 0.4103000      1.110000      134.4766      38.8   
1 1 1 25 22 6  o -0.8846000     1.103000      59.86499      -112.9 
1 1 1 25 22 7  o -1.278000      1.061000      175.8283      -99.5  
1 1 1 25 22 8  o -1.749000      1.285000      71.06528      100.9  
1 1 1 25 22 9  o 0.1633000      1.244000      61.24920      -21.2  
1 1 1 25 22 10 o -1.216000      1.068000      43.86804      96.6   
1 1 1 25 22 11 o 0.1886000      1.056000      82.52387      54.9   
1 1 1 25 22 12 o -1.033000      1.087000      77.87716      -83.2  
1 1 1 25 22 13 o -0.3159000     1.089000      125.2935      45.0   
1 1 1 25 22 14 o -1.441000      1.075000      37.41499      30.2   
1 1 1 25 22 15 o 0.9304000      1.384000      134.8846      -46.4  
1 1 1 25 22 16 o 0.2262000      1.358000      96.60896      160.5  
1 1 1 25 22 17 o -2.860000      1.171000      118.2583      51.7   
1 1 1 25 22 18 o -0.8546000E-01 1.150000      47.42430      -100.8 
1 1 1 25 22 19 o -1.830000      1.127000      125.5413      5.8    
1 1 1 25 22 20 o -1.904000      1.152000      14.52707      -70.2  
1 1 1 25 22 21 o -0.8762000     1.030000      63.03217      37.7   
1 1 1 25 22 22 o -0.5854000     1.037000      76.94621      -13.0  
1 1 1 25 22 23 o -1.965000      1.098000      47.20820      174.1  
1 1 1 25 22 24 o 0.1676000      1.137000      23.39741      -98.4  
1 1 1 25 22 25 o -1.287000      1.110000      81.27876      -49.3  
1 1 1 25 22 26 o -2.619000      1.130000      36.87333      93.5   
1 1 1 25 22 27 o -1.865000      1.096000      103.4985      97.0   
1 1 1 25 22 28 o 0.7510000      1.018000      189.9636      0.8    
1 1 1 25 22 29 o 1.861000       1.039000      39.74800      118.0  
1 1 1 25 22 30 o -0.4897000     1.030000      82.70440      -74.0  
1 1 1 25 22 31 o -1.157000      1.031000      43.30134      -93.8  
1 1 1 25 22 32 o 0.6156000      1.051000      63.42113      -39.3  
1 1 1 25 22 33 o 0.5970000      1.047000      114.9796      59.9   
1 1 1 25 22 34 o 1.359000       1.065000      75.43191      -90.0  
1 1 1 25 22 35 o -1.784000      1.103000      105.7238      108.2  
1 1 1 25 22 36 o 0.1085000E-01  1.158000      17.95791      -88.8  
1 1 1 25 22 37 o -0.4228000E-01 1.206000      107.6359      97.8   
1 1 1 25 22 38 o -0.2924000     1.227000      115.0174      149.5  
1 1 1 25 22 39 o 0.9986000      1.205000      77.69452      -39.5  
1 1 1 25 22 40 o -0.4349000     1.198000      91.09260      -100.8 
1 1 1 25 22 41 o 0.3108000      1.451000      99.97134      130.9  
1 1 1 25 22 42 o -0.2463000     1.451000      130.5583      -120.1 
1 1 1 25 22 43 o 0.7511000      1.566000      45.32953      -96.2  
1 1 1 25 22 44 o 1.262000       1.539000      22.65780      76.0   
1 1 1 25 22 45 o 0.6424000      1.467000      13.82977      48.0   
1 1 1 25 22 46 o 0.5511000      1.294000      ?             ?      
1 1 1 25 22 47 o -2.981000      1.331000      ?             ?      
1 1 1 25 22 48 o 0.4718000E-01  1.420000      ?             ?      
1 1 1 25 22 49 o -1.280000      1.318000      ?             ?      
1 1 1 25 22 50 o 0.9644000      1.228000      ?             ?      
1 1 1 25 22 51 o -1.983000      1.200000      ?             ?      
1 1 1 25 22 52 o 0.9146000      1.180000      ?             ?      
1 1 1 25 22 53 o -2.289000      1.689000      ?             ?      
1 1 1 25 22 54 o 2.374000       1.182000      ?             ?      
1 1 1 25 22 55 f -0.2756000     1.179000      ?             ?      
1 1 1 25 22 56 o -0.8298000     1.187000      ?             ?      
1 1 1 25 22 57 o -1.125000      1.207000      ?             ?      
1 1 1 25 22 58 o 1.195000       1.221000      ?             ?      
1 1 1 25 22 59 o 0.4354000      1.218000      ?             ?      
1 1 1 25 22 60 o -2.698000      1.400000      ?             ?      
1 1 1 25 22 61 o 0.9202000      1.584000      ?             ?      
1 1 1 25 22 62 o -0.3371000     1.465000      ?             ?      
1 1 1 25 22 63 o -0.7821000     1.744000      ?             ?      
1 1 1 25 22 64 o -0.2476000     1.394000      ?             ?      
1 1 1 25 23 0  o -0.2527000     1.381000      55.16420      -90.0  
1 1 1 25 23 1  o 0.3055000      0.9724000     145.3347      58.1   
1 1 1 25 23 2  o -0.1086000     0.9617000     140.3122      92.1   
1 1 1 25 23 3  o -0.2033000     0.9262000     56.19491      -14.5  
1 1 1 25 23 4  o 1.063000       1.047000      141.0339      -161.8 
1 1 1 25 23 5  o 0.2861000      1.083000      43.08843      -45.1  
1 1 1 25 23 6  o -1.318000      1.173000      33.47386      -167.7 
1 1 1 25 23 7  o -1.037000      1.070000      89.46701      78.1   
1 1 1 25 23 8  o -0.1632000E-01 1.076000      56.11544      -142.8 
1 1 1 25 23 9  o -0.2065000     1.054000      27.35726      62.2   
1 1 1 25 23 10 o -2.004000      1.093000      97.36503      -100.3 
1 1 1 25 23 11 o -1.342000      1.314000      25.53147      -139.5 
1 1 1 25 23 12 o -0.1985000     1.319000      150.3257      138.5  
1 1 1 25 23 13 o 1.614000       1.118000      107.8623      -44.6  
1 1 1 25 23 14 o -0.3428000E-01 1.098000      70.18420      56.3   
1 1 1 25 23 15 o -0.2197000     1.117000      251.7056      116.4  
1 1 1 25 23 16 o -0.7062000E-01 1.145000      71.48994      127.1  
1 1 1 25 23 17 o -0.7247000     1.173000      156.5817      146.4  
1 1 1 25 23 18 o 1.382000       1.390000      134.3122      74.1   
1 1 1 25 23 19 o -2.726000      1.380000      221.4907      68.7   
1 1 1 25 23 20 o -0.6423000E-01 1.175000      180.8143      34.7   
1 1 1 25 23 21 o 0.1566000      1.184000      96.52616      -22.5  
1 1 1 25 23 22 o -1.335000      1.112000      32.91520      57.9   
1 1 1 25 23 23 o -1.144000      1.105000      47.64777      39.3   
1 1 1 25 23 24 o -0.6321000     1.138000      26.13345      -4.9   
1 1 1 25 23 25 o 0.9485000      1.208000      89.78192      21.6   
1 1 1 25 23 26 o -0.4302000     1.072000      146.5239      -70.1  
1 1 1 25 23 27 o 0.7212000      1.086000      70.67844      -16.2  
1 1 1 25 23 28 o -0.4971000     1.035000      120.1354      -12.6  
1 1 1 25 23 29 o 1.570000       1.042000      235.0779      7.0    
1 1 1 25 23 30 o 0.8262000      1.018000      94.42907      -148.6 
1 1 1 25 23 31 o -0.2040000     1.032000      46.75544      -37.8  
1 1 1 25 23 32 o -1.039000      1.058000      41.71465      100.4  
1 1 1 25 23 33 o 1.153000       1.058000      45.48244      122.7  
1 1 1 25 23 34 o 0.4236000E-01  1.047000      111.6971      -155.7 
1 1 1 25 23 35 o 1.018000       1.064000      144.2230      58.6   
1 1 1 25 23 36 o 0.2021000      1.121000      80.06850      -113.2 
1 1 1 25 23 37 o 1.748000       1.166000      80.14906      -23.9  
1 1 1 25 23 38 o -1.213000      1.136000      153.4708      24.4   
1 1 1 25 23 39 o 1.639000       1.192000      114.8806      69.0   
1 1 1 25 23 40 o -0.2988000     1.197000      59.86765      125.0  
1 1 1 25 23 41 o 3.822000       1.264000      177.8213      25.7   
1 1 1 25 23 42 o -0.4442000     1.452000      109.3500      138.7  
1 1 1 25 23 43 o -1.219000      1.642000      50.91976      113.5  
1 1 1 25 23 44 o 0.7641000      1.821000      59.41732      34.6   
1 1 1 25 23 45 o 1.405000       1.523000      ?             ?      
1 1 1 25 23 46 o 1.984000       1.222000      ?             ?      
1 1 1 25 23 47 o 1.222000       1.226000      ?             ?      
1 1 1 25 23 48 o 0.4079000E-01  1.335000      ?             ?      
1 1 1 25 23 49 o 0.2244000      1.416000      ?             ?      
1 1 1 25 23 50 o 0.6289000E-01  1.293000      ?             ?      
1 1 1 25 23 51 o 0.1464000E-01  1.174000      ?             ?      
1 1 1 25 23 52 o 0.7655000      1.169000      ?             ?      
1 1 1 25 23 53 o 1.135000       1.166000      ?             ?      
1 1 1 25 23 54 o 0.5526000E-01  1.166000      ?             ?      
1 1 1 25 23 55 o 0.9298000      1.184000      ?             ?      
1 1 1 25 23 56 o 2.257000       1.206000      ?             ?      
1 1 1 25 23 57 o -0.4173000E-01 1.189000      ?             ?      
1 1 1 25 23 58 o -1.610000      1.187000      ?             ?      
1 1 1 25 23 59 o -0.5326000     1.501000      ?             ?      
1 1 1 25 23 60 o -0.9343000E-01 1.625000      ?             ?      
1 1 1 25 23 61 o 0.2562000      1.599000      ?             ?      
1 1 1 25 23 62 o -0.2297000     1.438000      ?             ?      
1 1 1 25 23 63 o -0.3192000     1.547000      ?             ?      
1 1 1 25 24 0  o -0.1530000     1.350000      281.6133      -90.0  
1 1 1 25 24 1  o 2.002000       0.9658000     494.8667      -160.3 
1 1 1 25 24 2  o -0.6269000     0.9283000     78.27117      10.9   
1 1 1 25 24 3  o -0.3586000     0.9235000     50.58069      -94.8  
1 1 1 25 24 4  o -1.103000      0.9574000     91.75517      -124.6 
1 1 1 25 24 5  o 1.092000       1.063000      309.8423      -114.9 
1 1 1 25 24 6  o -0.5685000     1.042000      103.0905      167.2  
1 1 1 25 24 7  o 1.203000       1.010000      11.33370      -145.9 
1 1 1 25 24 8  o -2.200000      1.010000      41.68406      -93.9  
1 1 1 25 24 9  o -0.2828000E-01 1.038000      107.7943      -45.4  
1 1 1 25 24 10 o -0.6597000     1.102000      227.9487      -153.2 
1 1 1 25 24 11 o 0.3364000E-01  1.114000      95.24984      -172.7 
1 1 1 25 24 12 o 0.1922000      1.098000      60.38566      139.8  
1 1 1 25 24 13 o 0.9525000      1.103000      92.89270      -162.8 
1 1 1 25 24 14 o 0.4213000      1.298000      110.5438      161.7  
1 1 1 25 24 15 o -2.029000      1.293000      16.81997      134.9  
1 1 1 25 24 16 o 1.664000       1.168000      146.6326      168.5  
1 1 1 25 24 17 o 3.500000       1.171000      136.7765      54.1   
1 1 1 25 24 18 o 0.2579000      1.155000      213.3062      -122.6 
1 1 1 25 24 19 o 0.5909000      1.165000      114.6114      60.0   
1 1 1 25 24 20 o 0.4177000      1.183000      95.46568      -13.5  
1 1 1 25 24 21 o 0.4314000      1.844000      171.4013      90.9   
1 1 1 25 24 22 o -5.029000      1.786000      88.70071      -66.6  
1 1 1 25 24 23 o 2.202000       1.164000      200.5304      124.4  
1 1 1 25 24 24 o -1.592000      1.160000      162.0070      -3.4   
1 1 1 25 24 25 o 1.475000       1.171000      210.1574      136.8  
1 1 1 25 24 26 o 1.921000       1.106000      176.0921      69.0   
1 1 1 25 24 27 o 1.883000       1.041000      328.5723      84.8   
1 1 1 25 24 28 o 2.038000       1.028000      252.2332      21.9   
1 1 1 25 24 29 o 2.006000       1.021000      172.4517      -32.0  
1 1 1 25 24 30 o -2.045000      1.003000      99.01077      42.0   
1 1 1 25 24 31 o 0.9899000      1.012000      121.2812      26.1   
1 1 1 25 24 32 o 2.044000       1.049000      143.2552      89.4   
1 1 1 25 24 33 o 2.163000       1.059000      150.9710      147.0  
1 1 1 25 24 34 o 2.861000       1.107000      114.1830      -113.7 
1 1 1 25 24 35 o 1.868000       1.079000      163.1622      -22.4  
1 1 1 25 24 36 o 3.643000       1.123000      299.2365      117.0  
1 1 1 25 24 37 o -1.716000      1.107000      96.75813      104.7  
1 1 1 25 24 38 o -1.083000      1.114000      56.56720      -148.7 
1 1 1 25 24 39 o 2.089000       1.127000      145.4126      -71.8  
1 1 1 25 24 40 o 0.3307000      1.197000      153.4918      -158.0 
1 1 1 25 24 41 o 4.501000       1.247000      311.4499      -153.1 
1 1 1 25 24 42 o 1.203000       1.474000      125.5892      -155.3 
1 1 1 25 24 43 o -2.592000      1.613000      133.0453      7.2    
1 1 1 25 24 44 o -1.077000      2.082000      ?             ?      
1 1 1 25 24 45 o 0.1527000E-01  1.345000      ?             ?      
1 1 1 25 24 46 o 3.508000       1.213000      ?             ?      
1 1 1 25 24 47 o -0.6723000     1.190000      ?             ?      
1 1 1 25 24 48 o 0.6001000      1.296000      ?             ?      
1 1 1 25 24 49 o 0.7241000      1.302000      ?             ?      
1 1 1 25 24 50 o -1.114000      1.278000      ?             ?      
1 1 1 25 24 51 o -2.372000      1.267000      ?             ?      
1 1 1 25 24 52 o -1.241000      1.160000      ?             ?      
1 1 1 25 24 53 o 0.4966000      1.166000      ?             ?      
1 1 1 25 24 54 o -0.5513000     1.165000      ?             ?      
1 1 1 25 24 55 o -0.6610000     1.183000      ?             ?      
1 1 1 25 24 56 o 0.9295000E-01  1.190000      ?             ?      
1 1 1 25 24 57 o 0.9159000      1.294000      ?             ?      
1 1 1 25 24 58 o 1.619000       1.219000      ?             ?      
1 1 1 25 24 59 o 1.051000       1.576000      ?             ?      
1 1 1 25 24 60 o 0.8253000      1.425000      ?             ?      
1 1 1 25 24 61 o 0.8398000      1.259000      ?             ?      
1 1 1 25 24 62 o 0.1082000      1.445000      ?             ?      
1 1 1 25 24 63 o 1.011000       2.273000      ?             ?      
1 1 1 25 25 0  o -0.3840000     1.280000      72.88236      -90.0  
1 1 1 25 25 1  o 0.3626000      0.9196000     189.5126      47.3   
1 1 1 25 25 2  o 3.076000       0.9318000     287.4091      -131.8 
1 1 1 25 25 3  o -0.8698000     0.9156000     214.9656      25.7   
1 1 1 25 25 4  o 2.304000       0.9449000     206.5150      -72.5  
1 1 1 25 25 5  o -1.166000      1.034000      69.41232      122.8  
1 1 1 25 25 6  o -0.2355000     1.047000      219.2433      -67.4  
1 1 1 25 25 7  o -0.1159000     1.037000      89.89027      -32.6  
1 1 1 25 25 8  o -0.1167000     1.008000      88.67461      167.3  
1 1 1 25 25 9  o 4.668000       1.066000      309.3885      -48.2  
1 1 1 25 25 10 o 4.163000       1.054000      283.2888      -102.7 
1 1 1 25 25 11 o -0.8935000E-01 1.067000      125.6146      170.4  
1 1 1 25 25 12 o 2.175000       1.122000      224.2954      116.3  
1 1 1 25 25 13 o -0.2869000     1.130000      21.52164      -83.4  
1 1 1 25 25 14 o 4.147000       1.184000      244.6379      170.8  
1 1 1 25 25 15 o 3.980000       1.142000      223.9314      -169.5 
1 1 1 25 25 16 o 1.071000       1.191000      138.4602      124.2  
1 1 1 25 25 17 o 1.836000       1.359000      46.47276      -72.8  
1 1 1 25 25 18 o 2.112000       1.330000      240.7419      58.1   
1 1 1 25 25 19 o 1.316000       1.135000      197.5722      14.9   
1 1 1 25 25 20 o -0.5120000     1.184000      158.0594      65.5   
1 1 1 25 25 21 o 0.2997000      1.361000      65.33405      80.4   
1 1 1 25 25 22 o 0.9322000      1.396000      178.2531      158.7  
1 1 1 25 25 23 o 5.034000       1.436000      286.1838      -43.4  
1 1 1 25 25 24 o 5.089000       1.279000      260.9931      -116.3 
1 1 1 25 25 25 o 4.786000       1.150000      273.8778      12.7   
1 1 1 25 25 26 o 4.552000       1.140000      232.9940      160.6  
1 1 1 25 25 27 o 4.465000       1.077000      264.8097      5.4    
1 1 1 25 25 28 o 0.5875000      1.035000      145.6815      77.8   
1 1 1 25 25 29 o 0.3102000      1.030000      45.54148      87.5   
1 1 1 25 25 30 o 0.9584000      1.002000      115.7633      -95.7  
1 1 1 25 25 31 o -0.2634000     1.005000      61.90371      -96.9  
1 1 1 25 25 32 o 3.554000       1.037000      221.9595      138.7  
1 1 1 25 25 33 o 0.7415000E-01  1.049000      93.86550      -179.0 
1 1 1 25 25 34 o 0.9685000      1.066000      99.99503      112.8  
1 1 1 25 25 35 o 4.394000       1.119000      244.2250      -110.4 
1 1 1 25 25 36 o 0.7941000      1.101000      16.20310      -129.0 
1 1 1 25 25 37 o 4.916000       1.109000      192.9146      -61.8  
1 1 1 25 25 38 o 0.7450000      1.101000      100.1906      19.6   
1 1 1 25 25 39 o -0.8324000     1.106000      49.80569      -39.0  
1 1 1 25 25 40 o 6.558000       1.166000      301.3827      -21.6  
1 1 1 25 25 41 o 2.233000       1.207000      238.3418      -52.2  
1 1 1 25 25 42 o 3.779000       1.311000      284.9667      159.2  
1 1 1 25 25 43 o 0.5465000      1.738000      ?             ?      
1 1 1 25 25 44 o -1.149000      1.769000      ?             ?      
1 1 1 25 25 45 o 1.324000       1.329000      ?             ?      
1 1 1 25 25 46 o 0.4341000      1.191000      ?             ?      
1 1 1 25 25 47 o 0.9183000E-02  1.164000      ?             ?      
1 1 1 25 25 48 o 0.8893000      1.163000      ?             ?      
1 1 1 25 25 49 o 1.271000       1.259000      ?             ?      
1 1 1 25 25 50 o -1.874000      1.341000      ?             ?      
1 1 1 25 25 51 o 0.7584000      1.273000      ?             ?      
1 1 1 25 25 52 o 0.6445000      1.184000      ?             ?      
1 1 1 25 25 53 o 0.7371000      1.179000      ?             ?      
1 1 1 25 25 54 o 2.989000       1.192000      ?             ?      
1 1 1 25 25 55 o 1.222000       1.277000      ?             ?      
1 1 1 25 25 56 o 1.167000       1.210000      ?             ?      
1 1 1 25 25 57 o 0.8781000      1.291000      ?             ?      
1 1 1 25 25 58 o 0.3404000      1.359000      ?             ?      
1 1 1 25 25 59 o 0.4607000      1.610000      ?             ?      
1 1 1 25 25 60 o -0.3261000     1.386000      ?             ?      
1 1 1 25 25 61 o -1.617000      1.246000      ?             ?      
1 1 1 25 25 62 o 1.503000       1.760000      ?             ?      
1 1 1 25 26 0  o -0.1282000     1.279000      264.3702      -90.0  
1 1 1 25 26 1  o -0.2309000     0.9153000     245.5350      -174.6 
1 1 1 25 26 2  o 1.255000       0.9127000     187.4267      123.4  
1 1 1 25 26 3  o 4.153000       0.9471000     270.3979      29.4   
1 1 1 25 26 4  o 2.040000       0.9281000     376.2493      169.0  
1 1 1 25 26 5  o 14.35000       1.176000      412.3236      -6.1   
1 1 1 25 26 6  o 4.326000       1.037000      161.7902      170.3  
1 1 1 25 26 7  o 4.696000       1.055000      296.6109      57.6   
1 1 1 25 26 8  o 2.111000       1.050000      243.3214      -9.0   
1 1 1 25 26 9  o 0.7685000      1.005000      273.3792      -101.2 
1 1 1 25 26 10 o -0.6151000     1.003000      76.93295      171.3  
1 1 1 25 26 11 o 1.994000       1.075000      193.9880      -122.0 
1 1 1 25 26 12 o 0.3305000      1.082000      58.59492      -79.9  
1 1 1 25 26 13 o 1.421000       1.129000      121.8930      -79.0  
1 1 1 25 26 14 o 8.349000       1.234000      371.2788      -10.5  
1 1 1 25 26 15 o 0.3684000      1.179000      125.3793      -123.2 
1 1 1 25 26 16 o -0.7892000     1.198000      42.62936      -10.2  
1 1 1 25 26 17 o -0.8366000     1.165000      77.11801      -137.7 
1 1 1 25 26 18 o 4.688000       1.137000      265.6533      -77.9  
1 1 1 25 26 19 o 2.808000       1.127000      252.5796      -150.9 
1 1 1 25 26 20 o 6.197000       1.378000      335.9273      -21.5  
1 1 1 25 26 21 o 0.6871000E-01  1.398000      71.80093      78.7   
1 1 1 25 26 22 o 3.816000       1.482000      192.0550      39.3   
1 1 1 25 26 23 o 6.600000       1.328000      374.1771      99.5   
1 1 1 25 26 24 o 1.890000       1.473000      216.0142      -26.6  
1 1 1 25 26 25 o 0.4625000      1.089000      94.86970      178.4  
1 1 1 25 26 26 o 7.700000       1.080000      300.2620      82.2   
1 1 1 25 26 27 o -0.3942000     1.073000      117.4636      176.6  
1 1 1 25 26 28 o 3.473000       1.079000      270.2765      -13.8  
1 1 1 25 26 29 o 1.312000       1.012000      159.4263      -179.5 
1 1 1 25 26 30 o -0.8034000     1.047000      63.67590      -174.9 
1 1 1 25 26 31 o -0.4011000E-01 1.062000      146.9150      -114.8 
1 1 1 25 26 32 o 2.196000       1.059000      236.5726      -179.6 
1 1 1 25 26 33 o 7.070000       1.099000      350.7797      -64.4  
1 1 1 25 26 34 o 2.342000       1.078000      229.8929      -44.1  
1 1 1 25 26 35 o -0.7861000     1.083000      146.9625      -102.2 
1 1 1 25 26 36 o 2.033000       1.111000      240.3569      43.4   
1 1 1 25 26 37 o 4.556000       1.118000      268.1542      -47.8  
1 1 1 25 26 38 o 1.770000       1.104000      82.11278      -36.5  
1 1 1 25 26 39 o 2.803000       1.115000      233.0435      11.4   
1 1 1 25 26 40 o 1.378000       1.121000      95.78986      -176.3 
1 1 1 25 26 41 o 3.700000       1.170000      210.3175      -94.2  
1 1 1 25 26 42 o 2.723000       1.263000      266.2733      7.1    
1 1 1 25 26 43 o -0.6227000     1.698000      ?             ?      
1 1 1 25 26 44 o 0.3579000      1.611000      ?             ?      
1 1 1 25 26 45 o -0.4212000     1.274000      ?             ?      
1 1 1 25 26 46 o 3.731000       1.286000      ?             ?      
1 1 1 25 26 47 o -0.2343000E-02 1.146000      ?             ?      
1 1 1 25 26 48 o 0.9748000      1.138000      ?             ?      
1 1 1 25 26 49 o 0.6757000      1.250000      ?             ?      
1 1 1 25 26 50 o 1.698000       1.259000      ?             ?      
1 1 1 25 26 51 o -0.4423000E-01 1.276000      ?             ?      
1 1 1 25 26 52 o -0.4202000     1.294000      ?             ?      
1 1 1 25 26 53 o 3.524000       1.327000      ?             ?      
1 1 1 25 26 54 o -0.1309000     1.192000      ?             ?      
1 1 1 25 26 55 o 1.032000       1.277000      ?             ?      
1 1 1 25 26 56 o -1.793000      1.180000      ?             ?      
1 1 1 25 26 57 o 0.7029000      1.205000      ?             ?      
1 1 1 25 26 58 o 0.1260000      1.365000      ?             ?      
1 1 1 25 26 59 o -1.338000      1.376000      ?             ?      
1 1 1 25 26 60 o 1.304000       1.840000      ?             ?      
1 1 1 25 26 61 o 0.7671000      1.438000      ?             ?      
1 1 1 25 26 62 o 0.4338000      1.525000      ?             ?      
1 1 1 25 27 0  o 3.455000       1.325000      324.9867      -90.0  
1 1 1 25 27 1  o 8.174000       0.9675000     379.7584      130.1  
1 1 1 25 27 2  o 5.084000       0.9439000     402.7334      -141.3 
1 1 1 25 27 3  o 10.58000       0.9823000     482.9159      -68.0  
1 1 1 25 27 4  o 3.555000       0.9248000     239.6276      128.0  
1 1 1 25 27 5  o 3.674000       1.075000      136.1537      -80.5  
1 1 1 25 27 6  o 3.345000       1.031000      236.9121      136.6  
1 1 1 25 27 7  o 2.011000       1.033000      283.7976      -15.8  
1 1 1 25 27 8  o 2.095000       1.052000      287.8386      117.7  
1 1 1 25 27 9  o 0.5885000      1.056000      153.0621      -72.7  
1 1 1 25 27 10 o -0.3980000     1.031000      168.5324      -103.3 
1 1 1 25 27 11 o 5.832000       1.129000      545.1487      117.5  
1 1 1 25 27 12 o 3.404000       1.173000      249.6602      120.8  
1 1 1 25 27 13 o 0.3466000      1.177000      102.6580      99.4   
1 1 1 25 27 14 o -1.551000      1.172000      182.4904      -123.4 
1 1 1 25 27 15 o 5.157000       1.198000      259.0858      97.3   
1 1 1 25 27 16 o 8.323000       1.221000      264.3489      9.7    
1 1 1 25 27 17 o 0.6468000      1.131000      124.2009      143.1  
1 1 1 25 27 18 o 4.789000       1.137000      450.2688      29.7   
1 1 1 25 27 19 o 3.551000       1.177000      247.0153      162.8  
1 1 1 25 27 20 o 1.855000       1.306000      270.9395      135.8  
1 1 1 25 27 21 o 6.130000       1.396000      264.2743      91.3   
1 1 1 25 27 22 o 1.288000       1.315000      319.1996      -91.8  
1 1 1 25 27 23 o -0.1264000     1.400000      192.9482      -71.8  
1 1 1 25 27 24 o 0.1546000      1.531000      121.9142      114.5  
1 1 1 25 27 25 o 2.449000       1.272000      119.2802      127.5  
1 1 1 25 27 26 o 9.860000       1.080000      383.0371      -168.3 
1 1 1 25 27 27 o 8.336000       1.080000      353.5684      -44.6  
1 1 1 25 27 28 o 0.4230000      1.034000      268.1837      -162.3 
1 1 1 25 27 29 o 9.979000       1.082000      341.8416      7.4    
1 1 1 25 27 30 o 1.354000       1.078000      152.8905      -35.0  
1 1 1 25 27 31 o 1.615000       1.096000      126.1544      9.0    
1 1 1 25 27 32 o 12.45000       1.158000      478.6116      117.7  
1 1 1 25 27 33 o 2.458000       1.117000      111.8727      69.1   
1 1 1 25 27 34 o 0.7974000      1.104000      228.9434      8.1    
1 1 1 25 27 35 o 0.4713000      1.124000      104.8536      -176.3 
1 1 1 25 27 36 o -1.046000      1.102000      90.49660      -9.4   
1 1 1 25 27 37 o 1.049000       1.120000      114.4538      -179.3 
1 1 1 25 27 38 o -0.9006000     1.100000      140.4138      85.4   
1 1 1 25 27 39 o 3.596000       1.120000      326.1894      -44.8  
1 1 1 25 27 40 o 4.073000       1.114000      229.0023      54.1   
1 1 1 25 27 41 o 0.3760000      1.124000      76.12852      -76.6  
1 1 1 25 27 42 o 0.5341000E-01  1.255000      ?             ?      
1 1 1 25 27 43 o 1.851000       1.527000      ?             ?      
1 1 1 25 27 44 o -0.2745000     1.481000      ?             ?      
1 1 1 25 27 45 o 0.5096000      1.455000      ?             ?      
1 1 1 25 27 46 o 4.040000       1.277000      ?             ?      
1 1 1 25 27 47 o -0.2677000     1.143000      ?             ?      
1 1 1 25 27 48 o 1.478000       1.145000      ?             ?      
1 1 1 25 27 49 o -1.087000      1.144000      ?             ?      
1 1 1 25 27 50 o 1.316000       1.253000      ?             ?      
1 1 1 25 27 51 o 1.358000       1.362000      ?             ?      
1 1 1 25 27 52 o 0.6624000      1.296000      ?             ?      
1 1 1 25 27 53 o 0.4564000      1.294000      ?             ?      
1 1 1 25 27 54 o -2.175000      1.171000      ?             ?      
1 1 1 25 27 55 o 0.3456000E-01  1.175000      ?             ?      
1 1 1 25 27 56 o 0.8474000      1.195000      ?             ?      
1 1 1 25 27 57 o 0.8254000      1.359000      ?             ?      
1 1 1 25 27 58 o -0.3125000     1.975000      ?             ?      
1 1 1 25 27 59 o 1.564000       1.409000      ?             ?      
1 1 1 25 27 60 o 3.186000       1.442000      ?             ?      
1 1 1 25 27 61 f 1.166000       1.263000      ?             ?      
1 1 1 25 28 0  o 9.943000       1.374000      416.2306      -90.0  
1 1 1 25 28 1  o 6.140000       0.9538000     477.7854      7.5    
1 1 1 25 28 2  o 0.5911000      0.9036000     118.4715      125.7  
1 1 1 25 28 3  o 3.632000       0.9271000     430.5050      38.5   
1 1 1 25 28 4  o 3.793000       0.9387000     302.4740      26.4   
1 1 1 25 28 5  f 5.531000       1.079000      286.3923      -24.2  
1 1 1 25 28 6  o 1.309000       1.017000      68.45488      46.2   
1 1 1 25 28 7  o 2.597000       1.048000      151.4479      -49.1  
1 1 1 25 28 8  o -0.4357000     1.051000      229.6770      109.9  
1 1 1 25 28 9  o 5.579000       1.090000      396.4411      -82.1  
1 1 1 25 28 10 o 25.71000       1.419000      612.0161      -95.1  
1 1 1 25 28 11 o 4.966000       1.128000      223.3185      -43.7  
1 1 1 25 28 12 o 13.73000       1.241000      648.4941      139.5  
1 1 1 25 28 13 o 0.4550000      1.176000      229.8304      -34.0  
1 1 1 25 28 14 o 0.1266000      1.153000      91.48499      -82.3  
1 1 1 25 28 15 o 8.976000       1.211000      470.1971      177.8  
1 1 1 25 28 16 o -0.3240000     1.142000      128.8878      -49.1  
1 1 1 25 28 17 o 11.41000       1.252000      488.0285      24.7   
1 1 1 25 28 18 o 4.119000       1.155000      356.6016      -83.6  
1 1 1 25 28 19 o 4.386000       1.291000      276.7934      -163.4 
1 1 1 25 28 20 o 4.400000       1.264000      343.1110      -29.3  
1 1 1 25 28 21 o 1.481000       1.183000      129.4019      96.0   
1 1 1 25 28 22 o 1.014000       1.245000      136.9567      131.0  
1 1 1 25 28 23 o 3.018000       1.408000      131.7320      38.4   
1 1 1 25 28 24 o 12.63000       1.400000      570.0567      -35.2  
1 1 1 25 28 25 o 1.519000       1.146000      105.9983      -36.6  
1 1 1 25 28 26 o -0.2748000     1.256000      216.7862      -41.3  
1 1 1 25 28 27 o 2.369000       1.085000      287.1004      -53.2  
1 1 1 25 28 28 o 10.62000       1.083000      349.6143      65.6   
1 1 1 25 28 29 o 3.132000       1.025000      344.2494      172.3  
1 1 1 25 28 30 o 0.4481000      1.028000      164.6840      148.9  
1 1 1 25 28 31 o 19.30000       1.259000      608.5985      -111.5 
1 1 1 25 28 32 o 0.8939000      1.079000      162.7910      -177.6 
1 1 1 25 28 33 o 2.926000       1.112000      310.3422      -54.1  
1 1 1 25 28 34 o 3.968000       1.126000      276.4448      177.5  
1 1 1 25 28 35 o 1.930000       1.099000      245.7758      -57.8  
1 1 1 25 28 36 o 2.805000       1.175000      240.0317      -60.0  
1 1 1 25 28 37 o 3.761000       1.183000      261.4209      10.5   
1 1 1 25 28 38 o -1.734000      1.145000      75.23656      117.7  
1 1 1 25 28 39 o -0.1657000E-01 1.089000      30.05269      -96.7  
1 1 1 25 28 40 o 5.689000       1.156000      321.8857      -65.9  
1 1 1 25 28 41 o 1.459000       1.246000      ?             ?      
1 1 1 25 28 42 o 8.577000       1.347000      ?             ?      
1 1 1 25 28 43 o -0.2010000     1.154000      ?             ?      
1 1 1 25 28 44 o -0.3415000     1.292000      ?             ?      
1 1 1 25 28 45 o 1.859000       1.435000      ?             ?      
1 1 1 25 28 46 o 0.1624000      1.237000      ?             ?      
1 1 1 25 28 47 o -1.251000      1.209000      ?             ?      
1 1 1 25 28 48 o 1.125000       1.128000      ?             ?      
1 1 1 25 28 49 o 1.502000       1.222000      ?             ?      
1 1 1 25 28 50 o 1.273000       1.249000      ?             ?      
1 1 1 25 28 51 o -0.7602000     1.249000      ?             ?      
1 1 1 25 28 52 o 3.173000       1.382000      ?             ?      
1 1 1 25 28 53 o 1.641000       1.292000      ?             ?      
1 1 1 25 28 54 o -1.044000      1.185000      ?             ?      
1 1 1 25 28 55 o 3.980000       1.210000      ?             ?      
1 1 1 25 28 56 o 1.998000       1.365000      ?             ?      
1 1 1 25 28 57 o 0.9814000      1.632000      ?             ?      
1 1 1 25 28 58 o 0.6468000      1.615000      ?             ?      
1 1 1 25 28 59 o -0.3906000     1.274000      ?             ?      
1 1 1 25 28 60 o 1.099000       1.251000      ?             ?      
1 1 1 25 28 61 o 0.5942000      1.258000      ?             ?      
1 1 1 25 29 0  o -0.9041000     1.315000      122.9640      90.0   
1 1 1 25 29 1  o 0.2624000      0.8978000     39.95969      172.0  
1 1 1 25 29 2  o 1.509000       0.8980000     14.89988      -27.7  
1 1 1 25 29 3  o 2.756000       0.9091000     180.3060      -9.4   
1 1 1 25 29 4  o 15.09000       1.024000      610.3282      129.1  
1 1 1 25 29 5  o 2.468000       0.9488000     106.5543      -94.3  
1 1 1 25 29 6  o 5.361000       1.048000      252.4455      9.4    
1 1 1 25 29 7  o 1.922000       1.057000      113.3734      -83.1  
1 1 1 25 29 8  o 8.826000       1.104000      347.8553      51.4   
1 1 1 25 29 9  o 0.7844000      1.046000      61.58468      68.9   
1 1 1 25 29 10 o 3.546000       1.172000      360.1583      79.0   
1 1 1 25 29 11 o -0.5822000E-02 1.161000      40.68267      146.5  
1 1 1 25 29 12 o 0.6219000E-01  1.161000      145.3686      58.5   
1 1 1 25 29 13 o 12.43000       1.250000      428.4198      -117.5 
1 1 1 25 29 14 o 2.107000       1.158000      278.6521      42.9   
1 1 1 25 29 15 o 7.955000       1.192000      266.2637      49.2   
1 1 1 25 29 16 o 0.8442000      1.160000      114.0829      109.9  
1 1 1 25 29 17 o 3.615000       1.193000      326.9288      87.3   
1 1 1 25 29 18 o -0.5923000     1.337000      140.7210      -155.5 
1 1 1 25 29 19 o 1.348000       1.291000      234.7521      129.2  
1 1 1 25 29 20 o 2.652000       1.332000      355.3704      -38.4  
1 1 1 25 29 21 o 1.386000       1.220000      77.65524      96.7   
1 1 1 25 29 22 o -1.695000      1.179000      131.0496      40.9   
1 1 1 25 29 23 o 8.764000       1.415000      358.9183      78.1   
1 1 1 25 29 24 o 1.438000       1.320000      112.0443      -44.6  
1 1 1 25 29 25 o 4.491000       1.222000      312.4424      154.4  
1 1 1 25 29 26 o 5.514000       1.180000      288.9005      -164.0 
1 1 1 25 29 27 o 7.175000       1.264000      360.8769      41.6   
1 1 1 25 29 28 o 1.437000       1.017000      135.9116      174.8  
1 1 1 25 29 29 o -1.910000      1.030000      96.85306      -35.9  
1 1 1 25 29 30 o 4.361000       1.084000      150.7702      -34.8  
1 1 1 25 29 31 o -1.550000      1.063000      120.9260      116.3  
1 1 1 25 29 32 o 9.250000       1.116000      258.3922      162.1  
1 1 1 25 29 33 o 0.1801000      1.064000      55.00853      -66.0  
1 1 1 25 29 34 o 9.630000       1.140000      381.0964      21.1   
1 1 1 25 29 35 o 4.165000       1.121000      289.4356      18.8   
1 1 1 25 29 36 o 1.159000       1.148000      154.4222      116.4  
1 1 1 25 29 37 o 0.9968000      1.139000      170.8294      -89.1  
1 1 1 25 29 38 o 3.187000       1.111000      377.4124      96.2   
1 1 1 25 29 39 o 3.226000       1.167000      365.7606      -21.7  
1 1 1 25 29 40 o -0.3497000     1.188000      ?             ?      
1 1 1 25 29 41 o 1.738000       1.240000      ?             ?      
1 1 1 25 29 42 o 0.9942000      1.130000      ?             ?      
1 1 1 25 29 43 o -0.5554000     1.111000      ?             ?      
1 1 1 25 29 44 o -0.2905000     1.275000      ?             ?      
1 1 1 25 29 45 o -1.522000      1.335000      ?             ?      
1 1 1 25 29 46 o 2.716000       1.253000      ?             ?      
1 1 1 25 29 47 o -0.3502000     1.300000      ?             ?      
1 1 1 25 29 48 o 2.266000       1.145000      ?             ?      
1 1 1 25 29 49 o 2.720000       1.232000      ?             ?      
1 1 1 25 29 50 o -0.5246000     1.138000      ?             ?      
1 1 1 25 29 51 o 3.449000       1.269000      ?             ?      
1 1 1 25 29 52 o 1.414000       1.355000      ?             ?      
1 1 1 25 29 53 o 0.8447000      1.269000      ?             ?      
1 1 1 25 29 54 o 1.923000       1.395000      ?             ?      
1 1 1 25 29 55 o 2.023000       1.369000      ?             ?      
1 1 1 25 29 56 o 2.306000       1.387000      ?             ?      
1 1 1 25 29 57 o -1.608000      1.499000      ?             ?      
1 1 1 25 29 58 o 0.4626000      1.372000      ?             ?      
1 1 1 25 29 59 o -0.4947000     1.233000      ?             ?      
1 1 1 25 29 60 o -0.2464000     1.443000      ?             ?      
1 1 1 25 30 0  o 4.394000       1.278000      473.6871      90.0   
1 1 1 25 30 1  o 0.8493000      0.8853000     58.88964      167.8  
1 1 1 25 30 2  f 0.4617000      0.8804000     131.3204      -96.5  
1 1 1 25 30 3  o 3.281000       0.8942000     325.6206      6.5    
1 1 1 25 30 4  o 4.193000       0.9142000     264.4716      -21.2  
1 1 1 25 30 5  o 3.470000       0.9307000     250.7895      30.6   
1 1 1 25 30 6  o 5.271000       1.068000      373.1922      -9.3   
1 1 1 25 30 7  o 7.268000       1.113000      366.4358      116.9  
1 1 1 25 30 8  o 5.595000       1.087000      470.5818      154.6  
1 1 1 25 30 9  o 2.558000       1.063000      269.0885      -11.1  
1 1 1 25 30 10 o 3.214000       1.120000      240.6190      -43.0  
1 1 1 25 30 11 o 12.43000       1.387000      345.9956      146.4  
1 1 1 25 30 12 o 4.355000       1.173000      196.0455      67.9   
1 1 1 25 30 13 o -3.679000      1.152000      124.8011      85.6   
1 1 1 25 30 14 o 10.77000       1.247000      475.8721      150.8  
1 1 1 25 30 15 o 1.281000       1.153000      210.8705      -176.0 
1 1 1 25 30 16 o 8.966000       1.211000      416.8078      10.5   
1 1 1 25 30 17 o 2.809000       1.188000      185.4971      90.3   
1 1 1 25 30 18 o 4.026000       1.379000      282.9986      86.1   
1 1 1 25 30 19 o -0.4879000     1.410000      80.18340      -101.1 
1 1 1 25 30 20 o 4.301000       1.307000      343.8327      93.8   
1 1 1 25 30 21 o 2.050000       1.278000      217.4223      96.0   
1 1 1 25 30 22 o 10.21000       1.436000      373.8544      -166.1 
1 1 1 25 30 23 o 9.908000       1.406000      479.1018      57.6   
1 1 1 25 30 24 o 2.779000       1.219000      279.3010      -58.6  
1 1 1 25 30 25 o 0.2182000      1.178000      114.9538      141.1  
1 1 1 25 30 26 o 8.819000       1.220000      375.3223      178.7  
1 1 1 25 30 27 o 7.196000       1.209000      371.9455      -103.6 
1 1 1 25 30 28 o 0.8012000      1.272000      187.2197      56.4   
1 1 1 25 30 29 o 1.118000       1.083000      154.1535      -12.5  
1 1 1 25 30 30 o 1.265000       1.061000      192.8222      -144.6 
1 1 1 25 30 31 o 12.47000       1.170000      551.4299      -118.0 
1 1 1 25 30 32 o 8.682000       1.179000      406.3138      115.1  
1 1 1 25 30 33 o -0.2758000     1.101000      86.36817      -57.5  
1 1 1 25 30 34 o -0.7682000     1.077000      210.4090      133.3  
1 1 1 25 30 35 o 2.204000       1.096000      191.9952      14.6   
1 1 1 25 30 36 o 2.130000       1.105000      267.9575      110.5  
1 1 1 25 30 37 o -0.7859000     1.094000      166.5745      129.2  
1 1 1 25 30 38 o -0.2114000     1.090000      168.2733      32.0   
1 1 1 25 30 39 o 7.542000       1.234000      ?             ?      
1 1 1 25 30 40 o 4.669000       1.345000      ?             ?      
1 1 1 25 30 41 o 1.413000       1.260000      ?             ?      
1 1 1 25 30 42 o 2.030000       1.120000      ?             ?      
1 1 1 25 30 43 o 0.9633000      1.123000      ?             ?      
1 1 1 25 30 44 o 3.951000       1.720000      ?             ?      
1 1 1 25 30 45 o -0.4438000     1.666000      ?             ?      
1 1 1 25 30 46 o 0.4829000E-01  1.586000      ?             ?      
1 1 1 25 30 47 o -1.059000      1.278000      ?             ?      
1 1 1 25 30 48 o 1.034000       1.119000      ?             ?      
1 1 1 25 30 49 o 3.111000       1.130000      ?             ?      
1 1 1 25 30 50 o -0.5159000     1.131000      ?             ?      
1 1 1 25 30 51 o 0.2697000      1.139000      ?             ?      
1 1 1 25 30 52 o 1.302000       1.417000      ?             ?      
1 1 1 25 30 53 o 1.312000       1.786000      ?             ?      
1 1 1 25 30 54 o 0.9916000      1.301000      ?             ?      
1 1 1 25 30 55 o 0.6515000      1.231000      ?             ?      
1 1 1 25 30 56 o -1.052000      1.347000      ?             ?      
1 1 1 25 30 57 o -0.5222000     1.771000      ?             ?      
1 1 1 25 30 58 o 1.309000       1.277000      ?             ?      
1 1 1 25 30 59 o -0.6832000     1.238000      ?             ?      
1 1 1 25 31 0  o 1.054000       1.168000      281.6070      -90.0  
1 1 1 25 31 1  o 2.035000       0.8512000     136.3221      161.9  
1 1 1 25 31 2  o 6.956000       0.8985000     438.4550      16.0   
1 1 1 25 31 3  o -0.2212000     0.8559000     136.8672      76.4   
1 1 1 25 31 4  o 3.365000       0.8989000     236.3633      126.6  
1 1 1 25 31 5  o 3.810000       0.9412000     402.8402      2.9    
1 1 1 25 31 6  o 7.336000       1.117000      418.4127      152.4  
1 1 1 25 31 7  o 28.51000       1.412000      818.4473      176.8  
1 1 1 25 31 8  o 8.558000       1.149000      406.7035      117.6  
1 1 1 25 31 9  o 9.255000       1.100000      315.3517      159.2  
1 1 1 25 31 10 o -1.964000      1.100000      66.53072      23.3   
1 1 1 25 31 11 o -1.292000      1.276000      103.1701      -167.2 
1 1 1 25 31 12 o 2.751000       1.313000      243.2231      -129.7 
1 1 1 25 31 13 o 4.273000       1.190000      269.6726      164.6  
1 1 1 25 31 14 o 10.37000       1.251000      423.8157      12.0   
1 1 1 25 31 15 o 0.8589000E-01  1.167000      112.8898      -58.1  
1 1 1 25 31 16 o -1.202000      1.187000      265.4411      132.4  
1 1 1 25 31 17 o 17.65000       1.530000      560.3606      141.8  
1 1 1 25 31 18 o 1.608000       1.355000      257.1792      -160.6 
1 1 1 25 31 19 o 2.024000       1.318000      167.2772      109.3  
1 1 1 25 31 20 o 10.62000       1.428000      492.5808      -60.5  
1 1 1 25 31 21 o 3.078000       1.354000      221.3357      114.9  
1 1 1 25 31 22 o 2.100000       1.402000      178.1886      49.2   
1 1 1 25 31 23 o 0.4499000      1.361000      164.5485      -173.9 
1 1 1 25 31 24 o 4.988000       1.532000      421.8595      -153.4 
1 1 1 25 31 25 o 1.524000       1.189000      38.62146      -48.6  
1 1 1 25 31 26 o 6.711000       1.229000      310.3377      -60.5  
1 1 1 25 31 27 o -0.4475000     1.175000      148.2798      123.2  
1 1 1 25 31 28 o 6.057000       1.204000      392.4209      -87.0  
1 1 1 25 31 29 o 3.759000       1.282000      337.9417      135.3  
1 1 1 25 31 30 o 1.102000       1.094000      142.6036      156.9  
1 1 1 25 31 31 o 7.572000       1.199000      393.6500      -167.1 
1 1 1 25 31 32 o 0.3001000      1.146000      131.9534      -31.8  
1 1 1 25 31 33 o 1.930000       1.127000      51.93349      163.6  
1 1 1 25 31 34 o 3.362000       1.100000      238.5495      31.0   
1 1 1 25 31 35 o 2.288000       1.137000      264.3059      -99.0  
1 1 1 25 31 36 o 1.419000       1.145000      308.5981      156.0  
1 1 1 25 31 37 o 0.9619000      1.104000      89.34274      -45.9  
1 1 1 25 31 38 o 1.253000       1.118000      ?             ?      
1 1 1 25 31 39 o 0.3935000      1.099000      ?             ?      
1 1 1 25 31 40 o -1.351000      1.213000      ?             ?      
1 1 1 25 31 41 o 2.195000       1.126000      ?             ?      
1 1 1 25 31 42 o 0.6787000      1.271000      ?             ?      
1 1 1 25 31 43 o 2.099000       1.299000      ?             ?      
1 1 1 25 31 44 o 7.516000       1.324000      ?             ?      
1 1 1 25 31 45 o 1.661000       1.315000      ?             ?      
1 1 1 25 31 46 o 1.655000       1.394000      ?             ?      
1 1 1 25 31 47 o 3.107000       1.257000      ?             ?      
1 1 1 25 31 48 o -1.350000      1.131000      ?             ?      
1 1 1 25 31 49 o 0.6202000      1.116000      ?             ?      
1 1 1 25 31 50 o 3.775000       1.249000      ?             ?      
1 1 1 25 31 51 o 0.5403000E-01  1.311000      ?             ?      
1 1 1 25 31 52 o -1.515000      1.243000      ?             ?      
1 1 1 25 31 53 o 2.794000       1.266000      ?             ?      
1 1 1 25 31 54 o -0.1589000E-01 1.361000      ?             ?      
1 1 1 25 31 55 o 1.450000       1.464000      ?             ?      
1 1 1 25 31 56 o 1.378000       1.452000      ?             ?      
1 1 1 25 31 57 o -0.1159000     1.247000      ?             ?      
1 1 1 25 31 58 o -1.985000      1.208000      ?             ?      
1 1 1 25 31 59 o 1.037000       1.687000      ?             ?      
1 1 1 25 32 0  o 1.066000       1.167000      103.5124      90.0   
1 1 1 25 32 1  o 1.273000       0.8370000     182.6729      165.4  
1 1 1 25 32 2  o 6.480000       0.8899000     299.1001      -105.7 
1 1 1 25 32 3  o 4.353000       0.9070000     409.7740      106.9  
1 1 1 25 32 4  o 0.7016000      0.9049000     155.8092      -140.7 
1 1 1 25 32 5  o 4.839000       0.9585000     331.9772      -53.4  
1 1 1 25 32 6  o 7.384000       1.166000      461.1637      -95.9  
1 1 1 25 32 7  o 14.70000       1.279000      586.3896      -134.9 
1 1 1 25 32 8  o 3.509000       1.096000      407.4468      -109.3 
1 1 1 25 32 9  o 6.506000       1.079000      491.2649      34.0   
1 1 1 25 32 10 o 0.3223000      1.110000      61.14065      70.9   
1 1 1 25 32 11 o 3.862000       1.301000      303.2567      -128.6 
1 1 1 25 32 12 o 0.2846000      1.306000      194.2242      26.4   
1 1 1 25 32 13 o 2.742000       1.338000      193.0356      109.5  
1 1 1 25 32 14 o 0.8394000      1.185000      263.0314      -69.2  
1 1 1 25 32 15 o 1.658000       1.196000      227.9561      67.6   
1 1 1 25 32 16 o 1.288000       1.420000      135.3204      -113.6 
1 1 1 25 32 17 o 3.882000       1.431000      226.7178      -122.2 
1 1 1 25 32 18 o -0.1727000     1.427000      116.9857      130.6  
1 1 1 25 32 19 o 1.401000       1.233000      97.27575      -123.1 
1 1 1 25 32 20 o 7.745000       1.419000      415.9548      98.7   
1 1 1 25 32 21 o 2.389000       1.453000      97.61377      -74.2  
1 1 1 25 32 22 o 0.6349000      1.441000      214.7676      173.7  
1 1 1 25 32 23 o 3.596000       1.298000      266.5951      9.6    
1 1 1 25 32 24 o 0.2681000      1.213000      69.76411      -144.6 
1 1 1 25 32 25 o 0.1094000      1.231000      145.3626      33.4   
1 1 1 25 32 26 o 9.137000       1.298000      379.3972      -113.5 
1 1 1 25 32 27 f 1.296000       1.231000      205.4052      -54.3  
1 1 1 25 32 28 o 0.5015000      1.235000      102.1974      -91.7  
1 1 1 25 32 29 o 2.186000       1.230000      246.9274      -74.8  
1 1 1 25 32 30 o 18.74000       1.897000      449.0724      -155.7 
1 1 1 25 32 31 o 3.023000       1.099000      266.1619      173.1  
1 1 1 25 32 32 o -1.165000      1.075000      19.73074      26.6   
1 1 1 25 32 33 o 2.053000       1.106000      280.3406      27.1   
1 1 1 25 32 34 o 3.261000       1.177000      301.7184      -52.7  
1 1 1 25 32 35 o 2.843000       1.178000      266.1393      95.5   
1 1 1 25 32 36 o 8.266000       1.159000      519.1422      61.3   
1 1 1 25 32 37 o -0.6687000     1.085000      ?             ?      
1 1 1 25 32 38 o -0.7772000     1.091000      ?             ?      
1 1 1 25 32 39 o 1.507000       1.244000      ?             ?      
1 1 1 25 32 40 o 5.947000       1.410000      ?             ?      
1 1 1 25 32 41 o 1.368000       1.161000      ?             ?      
1 1 1 25 32 42 o 3.115000       1.160000      ?             ?      
1 1 1 25 32 43 o 1.567000       1.060000      ?             ?      
1 1 1 25 32 44 o -1.463000      1.038000      ?             ?      
1 1 1 25 32 45 o -0.7789000     1.294000      ?             ?      
1 1 1 25 32 46 o 0.4428000      1.311000      ?             ?      
1 1 1 25 32 47 o 1.435000       1.382000      ?             ?      
1 1 1 25 32 48 o 1.132000       1.137000      ?             ?      
1 1 1 25 32 49 o -3.192000      1.303000      ?             ?      
1 1 1 25 32 50 o 1.076000       1.206000      ?             ?      
1 1 1 25 32 51 o 0.4350000      1.120000      ?             ?      
1 1 1 25 32 52 o 1.071000       1.141000      ?             ?      
1 1 1 25 32 53 o 1.899000       1.245000      ?             ?      
1 1 1 25 32 54 o -1.133000      1.436000      ?             ?      
1 1 1 25 32 55 o 0.6467000      1.610000      ?             ?      
1 1 1 25 32 56 o 0.1199000      1.341000      ?             ?      
1 1 1 25 32 57 o 3.714000       1.252000      ?             ?      
1 1 1 25 32 58 o -1.719000      1.209000      ?             ?      
1 1 1 25 33 0  o 2.208000       1.216000      346.6259      -90.0  
1 1 1 25 33 1  o 0.6136000      0.8510000     32.33079      -82.7  
1 1 1 25 33 2  o 0.8730000      0.8660000     276.8097      -119.8 
1 1 1 25 33 3  o 2.557000       0.8996000     273.9345      19.3   
1 1 1 25 33 4  o 13.59000       1.026000      498.0442      69.5   
1 1 1 25 33 5  o 1.894000       0.9281000     163.7057      152.8  
1 1 1 25 33 6  o 0.8275000      1.085000      85.02395      -144.7 
1 1 1 25 33 7  o 0.4510000E-04  1.064000      275.7137      -153.0 
1 1 1 25 33 8  o 0.2145000      1.048000      79.51498      1.6    
1 1 1 25 33 9  o -1.522000      1.028000      116.1827      -155.6 
1 1 1 25 33 10 o -0.6451000     1.114000      63.43718      140.4  
1 1 1 25 33 11 o -0.2386000     1.308000      91.88965      173.8  
1 1 1 25 33 12 o 4.062000       1.382000      336.4583      65.8   
1 1 1 25 33 13 o 5.817000       1.386000      253.1200      56.6   
1 1 1 25 33 14 o -1.372000      1.339000      145.9384      -48.8  
1 1 1 25 33 15 o -0.4475000     1.197000      88.44091      31.2   
1 1 1 25 33 16 o 3.826000       1.469000      213.4798      132.0  
1 1 1 25 33 17 o 1.728000       1.529000      291.7762      -112.6 
1 1 1 25 33 18 o -1.375000      1.306000      163.9893      -46.2  
1 1 1 25 33 19 o 1.852000       1.352000      211.5058      -70.3  
1 1 1 25 33 20 o 9.115000       1.361000      458.4927      -15.8  
1 1 1 25 33 21 o -0.5874000     1.452000      96.09403      133.5  
1 1 1 25 33 22 o 0.9467000      1.447000      166.1648      63.7   
1 1 1 25 33 23 o 5.455000       1.350000      430.3597      146.1  
1 1 1 25 33 24 o 0.3732000      1.295000      108.7496      55.0   
1 1 1 25 33 25 o -0.6274000     1.254000      120.5128      -37.2  
1 1 1 25 33 26 o 3.900000       1.281000      228.4608      -120.7 
1 1 1 25 33 27 o 4.845000       1.287000      312.9478      -46.9  
1 1 1 25 33 28 o 2.056000       1.264000      92.48196      -82.0  
1 1 1 25 33 29 o -0.7909000     1.272000      91.88912      103.5  
1 1 1 25 33 30 o 0.7099000      1.241000      92.23969      -11.4  
1 1 1 25 33 31 o 1.020000       1.320000      133.4096      122.0  
1 1 1 25 33 32 o 1.892000       1.093000      223.0088      98.6   
1 1 1 25 33 33 o 0.6437000      1.089000      82.04263      -26.3  
1 1 1 25 33 34 o 4.102000       1.138000      308.4295      -160.8 
1 1 1 25 33 35 o 0.1971000      1.101000      197.3493      112.9  
1 1 1 25 33 36 o -2.183000      1.081000      ?             ?      
1 1 1 25 33 37 o 1.849000       1.161000      ?             ?      
1 1 1 25 33 38 o 0.6603000      1.375000      ?             ?      
1 1 1 25 33 39 o 1.304000       1.310000      ?             ?      
1 1 1 25 33 40 o 1.767000       1.186000      ?             ?      
1 1 1 25 33 41 o 0.9080000      1.111000      ?             ?      
1 1 1 25 33 42 o 0.9118000      1.059000      ?             ?      
1 1 1 25 33 43 o 1.266000       1.029000      ?             ?      
1 1 1 25 33 44 o 1.414000       1.018000      ?             ?      
1 1 1 25 33 45 o -0.7387000     1.252000      ?             ?      
1 1 1 25 33 46 o 0.4392000      1.250000      ?             ?      
1 1 1 25 33 47 o 0.8224000      1.272000      ?             ?      
1 1 1 25 33 48 o -0.2928000E-01 1.144000      ?             ?      
1 1 1 25 33 49 o -0.7350000E-01 1.146000      ?             ?      
1 1 1 25 33 50 o 2.923000       1.115000      ?             ?      
1 1 1 25 33 51 o -1.236000      1.072000      ?             ?      
1 1 1 25 33 52 o -2.563000      1.206000      ?             ?      
1 1 1 25 33 53 o 1.093000       1.246000      ?             ?      
1 1 1 25 33 54 o -1.104000      1.481000      ?             ?      
1 1 1 25 33 55 o -0.5096000     1.925000      ?             ?      
1 1 1 25 33 56 o 0.9848000      1.391000      ?             ?      
1 1 1 25 33 57 o -0.3598000     1.208000      ?             ?      
1 1 1 25 34 0  o 0.1191000      1.160000      126.3743      -90.0  
1 1 1 25 34 1  o 0.6480000      0.8323000     36.96141      117.0  
1 1 1 25 34 2  o 0.8685000      0.8394000     211.1574      -154.7 
1 1 1 25 34 3  o -0.5225000     0.8526000     152.0104      -88.5  
1 1 1 25 34 4  o 2.200000       0.8856000     232.8227      151.1  
1 1 1 25 34 5  o 1.456000       0.9241000     231.0614      -14.5  
1 1 1 25 34 6  o 2.792000       1.068000      375.5523      -69.9  
1 1 1 25 34 7  o 0.8669000      1.028000      94.26690      -155.1 
1 1 1 25 34 8  o 1.099000       1.040000      246.6462      -54.4  
1 1 1 25 34 9  o 1.434000       1.040000      171.3072      25.0   
1 1 1 25 34 10 o -1.531000      1.141000      71.02444      176.4  
1 1 1 25 34 11 o 4.688000       1.383000      350.2065      149.1  
1 1 1 25 34 12 o 2.558000       1.388000      286.4601      -89.6  
1 1 1 25 34 13 o 0.8327000      1.372000      136.6696      -62.0  
1 1 1 25 34 14 o 9.441000       1.490000      331.8680      16.7   
1 1 1 25 34 15 o 5.542000       1.919000      360.4233      41.6   
1 1 1 25 34 16 o 1.697000       1.459000      135.7233      39.3   
1 1 1 25 34 17 o 2.693000       1.548000      194.9055      -116.1 
1 1 1 25 34 18 o 2.375000       1.394000      166.6246      50.1   
1 1 1 25 34 19 o -2.581000      1.343000      162.5835      129.4  
1 1 1 25 34 20 o 1.544000       1.560000      309.1252      47.9   
1 1 1 25 34 21 o 2.336000       1.521000      142.6973      -94.7  
1 1 1 25 34 22 o 3.258000       1.344000      208.9706      -86.6  
1 1 1 25 34 23 o 2.812000       1.289000      188.7632      -164.3 
1 1 1 25 34 24 o 3.467000       1.283000      180.1411      -117.4 
1 1 1 25 34 25 o 5.270000       1.333000      289.3796      -16.8  
1 1 1 25 34 26 o 1.977000       1.283000      104.5199      92.3   
1 1 1 25 34 27 o 0.7958000      1.287000      89.00694      -163.8 
1 1 1 25 34 28 o 0.5499000      1.297000      74.42003      -16.3  
1 1 1 25 34 29 o 4.653000       1.333000      302.8568      -134.2 
1 1 1 25 34 30 o 2.908000       1.313000      251.5395      175.6  
1 1 1 25 34 31 o 8.260000       1.318000      363.0586      -176.0 
1 1 1 25 34 32 o 0.1431000      1.273000      212.8896      -36.5  
1 1 1 25 34 33 o 5.885000       1.148000      377.9744      -121.1 
1 1 1 25 34 34 o 3.131000       1.089000      ?             ?      
1 1 1 25 34 35 o 2.215000       1.314000      ?             ?      
1 1 1 25 34 36 o 1.407000       1.312000      ?             ?      
1 1 1 25 34 37 o 0.7095000      1.258000      ?             ?      
1 1 1 25 34 38 o 1.580000       1.386000      ?             ?      
1 1 1 25 34 39 o 0.4252000      1.179000      ?             ?      
1 1 1 25 34 40 o -0.5484000     1.112000      ?             ?      
1 1 1 25 34 41 o -0.2159000     1.069000      ?             ?      
1 1 1 25 34 42 o 0.8233000      1.015000      ?             ?      
1 1 1 25 34 43 o -0.4220000     1.087000      ?             ?      
1 1 1 25 34 44 o 0.5097000      1.249000      ?             ?      
1 1 1 25 34 45 o 2.788000       1.264000      ?             ?      
1 1 1 25 34 46 o 1.029000       1.186000      ?             ?      
1 1 1 25 34 47 o 2.636000       1.268000      ?             ?      
1 1 1 25 34 48 o 0.6115000      1.112000      ?             ?      
1 1 1 25 34 49 o 0.6478000      1.114000      ?             ?      
1 1 1 25 34 50 o 0.6374000E-01  1.048000      ?             ?      
1 1 1 25 34 51 o -0.4953000     1.060000      ?             ?      
1 1 1 25 34 52 o -0.5408000E-01 1.108000      ?             ?      
1 1 1 25 34 53 o 2.564000       1.223000      ?             ?      
1 1 1 25 34 54 o -0.3452000     1.954000      ?             ?      
1 1 1 25 34 55 o 0.7293000      1.960000      ?             ?      
1 1 1 25 34 56 o 1.444000       1.651000      ?             ?      
1 1 1 25 34 57 o -4.356000      3.123000      ?             ?      
1 1 1 25 35 0  o 1.640000       1.171000      224.3217      -90.0  
1 1 1 25 35 1  o -1.246000      0.8185000     37.41367      126.9  
1 1 1 25 35 2  o 1.555000       0.8318000     109.3168      -135.9 
1 1 1 25 35 3  o 1.396000       0.8603000     291.3389      78.7   
1 1 1 25 35 4  o 9.033000       0.9444000     493.7929      114.5  
1 1 1 25 35 5  o 0.2598000      0.9135000     130.8007      -173.9 
1 1 1 25 35 6  o 9.829000       1.041000      445.1473      -7.4   
1 1 1 25 35 7  o 1.180000       1.060000      203.9656      -28.9  
1 1 1 25 35 8  o -0.9118000     1.061000      118.3542      -104.2 
1 1 1 25 35 9  o -0.6901000E-01 1.066000      178.7065      -123.7 
1 1 1 25 35 10 o -1.102000      1.150000      31.80425      146.4  
1 1 1 25 35 11 o -3.082000      1.382000      95.51894      46.0   
1 1 1 25 35 12 o -0.4483000     1.413000      168.7967      8.0    
1 1 1 25 35 13 o 3.129000       1.426000      282.5977      23.4   
1 1 1 25 35 14 o 4.565000       1.549000      335.6016      115.6  
1 1 1 25 35 15 o 2.366000       1.899000      192.1486      69.6   
1 1 1 25 35 16 o -1.038000      1.924000      93.98244      -118.5 
1 1 1 25 35 17 o 9.606000       1.471000      464.1083      -128.8 
1 1 1 25 35 18 o 5.699000       1.402000      324.9693      -46.2  
1 1 1 25 35 19 o -2.740000      1.389000      47.54728      -135.5 
1 1 1 25 35 20 o 7.961000       1.704000      366.6875      37.9   
1 1 1 25 35 21 o 1.549000       1.599000      182.0760      146.7  
1 1 1 25 35 22 o 5.500000       1.373000      301.4981      -3.1   
1 1 1 25 35 23 o 0.4251000      1.333000      176.6441      -140.0 
1 1 1 25 35 24 o 0.6827000      1.318000      91.72801      153.6  
1 1 1 25 35 25 o -0.7216000     1.293000      72.62655      112.6  
1 1 1 25 35 26 o 2.864000       1.351000      165.6502      112.1  
1 1 1 25 35 27 o -0.3988000     1.300000      65.85065      -137.3 
1 1 1 25 35 28 o 2.741000       1.337000      205.5582      -29.4  
1 1 1 25 35 29 o 2.253000       1.330000      179.5434      -62.9  
1 1 1 25 35 30 o 2.645000       1.328000      224.9589      13.9   
1 1 1 25 35 31 o 0.1896000      1.295000      158.5851      97.6   
1 1 1 25 35 32 o 2.389000       1.272000      121.7430      -54.8  
1 1 1 25 35 33 o -0.1202000     1.249000      ?             ?      
1 1 1 25 35 34 o 3.186000       1.361000      ?             ?      
1 1 1 25 35 35 o 1.592000       1.211000      ?             ?      
1 1 1 25 35 36 o -0.3080000     1.096000      ?             ?      
1 1 1 25 35 37 o 3.312000       1.166000      ?             ?      
1 1 1 25 35 38 o 0.4513000      1.145000      ?             ?      
1 1 1 25 35 39 o -0.9858000     1.046000      ?             ?      
1 1 1 25 35 40 o 1.695000       1.047000      ?             ?      
1 1 1 25 35 41 o -1.702000      1.070000      ?             ?      
1 1 1 25 35 42 o -0.5011000     1.194000      ?             ?      
1 1 1 25 35 43 o -0.6301000     1.174000      ?             ?      
1 1 1 25 35 44 o 1.047000       1.040000      ?             ?      
1 1 1 25 35 45 o -0.3469000     1.009000      ?             ?      
1 1 1 25 35 46 o 1.031000       1.188000      ?             ?      
1 1 1 25 35 47 o -0.6598000     1.277000      ?             ?      
1 1 1 25 35 48 o 2.664000       1.363000      ?             ?      
1 1 1 25 35 49 o 0.8251000      1.122000      ?             ?      
1 1 1 25 35 50 o 1.425000       1.119000      ?             ?      
1 1 1 25 35 51 o 0.5706000      1.056000      ?             ?      
1 1 1 25 35 52 o -1.235000      1.069000      ?             ?      
1 1 1 25 35 53 o 0.3008000      1.216000      ?             ?      
1 1 1 25 35 54 o -0.2497000     1.309000      ?             ?      
1 1 1 25 35 55 o -2.768000      1.313000      ?             ?      
1 1 1 25 35 56 o 1.254000       1.477000      ?             ?      
1 1 1 25 36 0  o -0.5077000     1.186000      20.47505      -90.0  
1 1 1 25 36 1  o 0.4133000      0.8335000     84.37592      117.3  
1 1 1 25 36 2  o 4.124000       0.8650000     323.6254      -160.3 
1 1 1 25 36 3  o -0.9119000E-01 0.8641000     150.8875      60.9   
1 1 1 25 36 4  o -0.9222000     0.8903000     99.06985      90.7   
1 1 1 25 36 5  o -0.5368000     0.9333000     196.8694      32.3   
1 1 1 25 36 6  o 1.557000       0.9547000     260.9249      31.7   
1 1 1 25 36 7  o 3.764000       1.097000      319.5499      54.9   
1 1 1 25 36 8  o 1.747000       1.101000      162.3507      -23.3  
1 1 1 25 36 9  o 0.5729000      1.089000      100.8194      124.3  
1 1 1 25 36 10 o 1.119000       1.183000      141.7818      48.4   
1 1 1 25 36 11 o 1.753000       1.393000      45.71897      133.2  
1 1 1 25 36 12 o -1.041000      1.407000      10.71752      165.3  
1 1 1 25 36 13 o 3.423000       1.465000      203.7842      79.5   
1 1 1 25 36 14 o 0.5928000E-01  1.932000      196.1298      41.4   
1 1 1 25 36 15 o 0.3108000E-02  1.959000      134.7553      -4.6   
1 1 1 25 36 16 o -1.617000      1.606000      109.4480      -136.5 
1 1 1 25 36 17 o 1.624000       1.637000      282.5758      -9.9   
1 1 1 25 36 18 o 2.576000       1.412000      205.2399      7.7    
1 1 1 25 36 19 o 10.68000       1.605000      395.9523      128.7  
1 1 1 25 36 20 o 0.9052000      1.666000      147.4627      21.8   
1 1 1 25 36 21 o 0.4507000      1.624000      33.26556      24.2   
1 1 1 25 36 22 o 3.356000       1.392000      342.9313      -47.6  
1 1 1 25 36 23 o 1.428000       1.360000      180.9916      138.7  
1 1 1 25 36 24 o 0.4774000      1.360000      88.36919      -161.6 
1 1 1 25 36 25 o 0.6307000      1.343000      131.3145      177.0  
1 1 1 25 36 26 o 1.274000       1.343000      138.4076      136.8  
1 1 1 25 36 27 o 0.5441000      1.329000      176.6165      -165.8 
1 1 1 25 36 28 o 3.804000       1.335000      206.8965      -21.2  
1 1 1 25 36 29 o -1.150000      1.306000      162.0857      124.8  
1 1 1 25 36 30 o 1.112000       1.318000      147.7509      -169.5 
1 1 1 25 36 31 o 1.654000       1.299000      ?             ?      
1 1 1 25 36 32 o 0.5241000      1.275000      ?             ?      
1 1 1 25 36 33 o 0.9167000E-01  1.309000      ?             ?      
1 1 1 25 36 34 o 2.297000       1.248000      ?             ?      
1 1 1 25 36 35 o 1.887000       1.454000      ?             ?      
1 1 1 25 36 36 o 2.425000       1.073000      ?             ?      
1 1 1 25 36 37 o 0.8687000      1.151000      ?             ?      
1 1 1 25 36 38 o 0.1418000      1.108000      ?             ?      
1 1 1 25 36 39 o 0.8602000      1.117000      ?             ?      
1 1 1 25 36 40 o 0.5120000      1.104000      ?             ?      
1 1 1 25 36 41 o 0.3056000E-01  0.9835000     ?             ?      
1 1 1 25 36 42 o 0.3690000      0.9901000     ?             ?      
1 1 1 25 36 43 o -0.5319000     0.9942000     ?             ?      
1 1 1 25 36 44 o 1.153000       0.9916000     ?             ?      
1 1 1 25 36 45 o -0.8371000     0.9870000     ?             ?      
1 1 1 25 36 46 o 1.021000       1.033000      ?             ?      
1 1 1 25 36 47 o -1.820000      1.230000      ?             ?      
1 1 1 25 36 48 o 1.235000       1.366000      ?             ?      
1 1 1 25 36 49 o -0.3310000     1.132000      ?             ?      
1 1 1 25 36 50 o 0.1536000      1.161000      ?             ?      
1 1 1 25 36 51 o -1.870000      1.085000      ?             ?      
1 1 1 25 36 52 o 0.6845000      1.103000      ?             ?      
1 1 1 25 36 53 o 0.6257000      1.268000      ?             ?      
1 1 1 25 36 54 o 2.183000       1.217000      ?             ?      
1 1 1 25 36 55 o 1.524000       1.641000      ?             ?      
1 1 1 25 37 0  o 1.039000       1.217000      227.9012      -90.0  
1 1 1 25 37 1  o 1.465000       0.8563000     248.1486      105.1  
1 1 1 25 37 2  o 2.424000       0.8621000     223.0411      102.2  
1 1 1 25 37 3  o 0.5641000      0.8574000     85.61084      74.8   
1 1 1 25 37 4  o 3.644000       0.9135000     228.4678      146.8  
1 1 1 25 37 5  o 3.247000       0.9564000     182.2889      161.8  
1 1 1 25 37 6  o 2.393000       0.9605000     120.4035      39.8   
1 1 1 25 37 7  o -0.2846000     1.079000      151.1582      169.4  
1 1 1 25 37 8  o 3.955000       1.144000      294.9458      -140.3 
1 1 1 25 37 9  o -0.7265000     1.085000      137.6579      145.8  
1 1 1 25 37 10 o -0.1958000     1.195000      104.1370      71.3   
1 1 1 25 37 11 o 1.668000       1.428000      127.4259      55.3   
1 1 1 25 37 12 o -0.6929000E-02 1.451000      99.30437      27.0   
1 1 1 25 37 13 o 1.113000       1.932000      61.91050      155.7  
1 1 1 25 37 14 o 0.1667000      2.047000      145.3813      51.6   
1 1 1 25 37 15 o 2.344000       2.123000      124.6252      151.7  
1 1 1 25 37 16 o -1.157000      1.597000      131.5536      98.2   
1 1 1 25 37 17 o 5.161000       1.649000      363.7145      -115.8 
1 1 1 25 37 18 o 0.3334000      1.632000      28.99658      -84.4  
1 1 1 25 37 19 o 2.795000       1.716000      239.6661      117.8  
1 1 1 25 37 20 o 2.634000       1.713000      205.1714      -0.3   
1 1 1 25 37 21 o -0.2664000     1.405000      108.0057      113.6  
1 1 1 25 37 22 o -0.7211000E-02 1.398000      153.0809      -59.7  
1 1 1 25 37 23 o 2.600000       1.395000      213.2326      -141.3 
1 1 1 25 37 24 o 0.7637000      1.369000      122.9148      -131.3 
1 1 1 25 37 25 o 2.189000       1.376000      162.6449      -130.1 
1 1 1 25 37 26 o 1.191000       1.355000      40.08343      131.4  
1 1 1 25 37 27 o 1.948000       1.327000      58.64504      -132.8 
1 1 1 25 37 28 o -1.628000      1.304000      160.5494      24.2   
1 1 1 25 37 29 o 3.297000       1.357000      175.7322      41.6   
1 1 1 25 37 30 o 1.484000       1.353000      ?             ?      
1 1 1 25 37 31 o 0.6022000      1.306000      ?             ?      
1 1 1 25 37 32 o -0.3047000     1.288000      ?             ?      
1 1 1 25 37 33 o 1.409000       1.311000      ?             ?      
1 1 1 25 37 34 o 1.371000       1.302000      ?             ?      
1 1 1 25 37 35 o 0.9334000      1.461000      ?             ?      
1 1 1 25 37 36 o -2.104000      1.536000      ?             ?      
1 1 1 25 37 37 o 1.161000       1.278000      ?             ?      
1 1 1 25 37 38 o 0.3572000      1.134000      ?             ?      
1 1 1 25 37 39 o 1.119000       1.028000      ?             ?      
1 1 1 25 37 40 o 0.8448000      0.9773000     ?             ?      
1 1 1 25 37 41 o 1.660000       0.9851000     ?             ?      
1 1 1 25 37 42 o 3.035000       0.9995000     ?             ?      
1 1 1 25 37 43 o -0.5733000     0.9763000     ?             ?      
1 1 1 25 37 44 o 0.6591000      0.9787000     ?             ?      
1 1 1 25 37 45 o 0.3268000      0.9950000     ?             ?      
1 1 1 25 37 46 o 0.4305000      1.022000      ?             ?      
1 1 1 25 37 47 o 0.5260000      1.178000      ?             ?      
1 1 1 25 37 48 o -0.6381000E-01 1.182000      ?             ?      
1 1 1 25 37 49 o 0.5799000      1.274000      ?             ?      
1 1 1 25 37 50 o -2.307000      1.225000      ?             ?      
1 1 1 25 37 51 o 1.662000       1.283000      ?             ?      
1 1 1 25 37 52 o -0.5279000     1.191000      ?             ?      
1 1 1 25 37 53 o 1.325000       1.306000      ?             ?      
1 1 1 25 37 54 o 1.955000       1.729000      ?             ?      
1 1 1 25 38 0  o 2.072000       1.427000      73.32300      -90.0  
1 1 1 25 38 1  o 4.038000       1.044000      272.1680      145.8  
1 1 1 25 38 2  o 1.358000       0.8651000     111.4682      111.7  
1 1 1 25 38 3  o 0.8871000      0.8680000     28.46868      -60.1  
1 1 1 25 38 4  o 3.107000       0.9097000     195.1010      -80.0  
1 1 1 25 38 5  o 0.7774000      0.9349000     151.4005      91.9   
1 1 1 25 38 6  o -1.411000      0.9472000     50.22900      -87.9  
1 1 1 25 38 7  o 1.845000       1.099000      204.6107      98.4   
1 1 1 25 38 8  o 1.153000       1.163000      233.9041      -97.0  
1 1 1 25 38 9  o 3.567000       1.149000      148.5954      -2.9   
1 1 1 25 38 10 o -0.5910000     1.242000      34.90999      3.7    
1 1 1 25 38 11 o -0.9450000     1.454000      107.5342      88.4   
1 1 1 25 38 12 o 0.2701000      1.515000      88.03497      141.8  
1 1 1 25 38 13 o -1.741000      2.014000      100.6297      -166.0 
1 1 1 25 38 14 o 2.883000       2.213000      82.95937      -127.2 
1 1 1 25 38 15 o 2.111000       1.665000      21.17659      79.0   
1 1 1 25 38 16 o 4.019000       1.673000      193.2266      -81.8  
1 1 1 25 38 17 o 0.5379000      1.643000      123.2544      99.3   
1 1 1 25 38 18 o 0.6214000E-01  1.717000      87.09688      -162.6 
1 1 1 25 38 19 o 6.013000       2.405000      234.0084      137.9  
1 1 1 25 38 20 o -0.3029000     1.689000      200.9165      -106.0 
1 1 1 25 38 21 o 1.971000       1.410000      109.7268      23.8   
1 1 1 25 38 22 o -0.7828000     1.401000      133.5498      -115.3 
1 1 1 25 38 23 o 3.027000       1.364000      113.6398      81.8   
1 1 1 25 38 24 o -0.8986000     1.353000      69.47903      24.2   
1 1 1 25 38 25 o -2.348000      1.344000      19.44581      -101.5 
1 1 1 25 38 26 o 1.828000       1.363000      133.9590      -173.1 
1 1 1 25 38 27 o 1.098000       1.387000      112.3647      151.8  
1 1 1 25 38 28 o -0.1133000     1.371000      ?             ?      
1 1 1 25 38 29 o 0.7463000      1.310000      ?             ?      
1 1 1 25 38 30 o -0.4098000     1.273000      ?             ?      
1 1 1 25 38 31 o -2.056000      1.266000      ?             ?      
1 1 1 25 38 32 o 2.471000       1.325000      ?             ?      
1 1 1 25 38 33 o 2.102000       1.413000      ?             ?      
1 1 1 25 38 34 o -0.3930000     1.505000      ?             ?      
1 1 1 25 38 35 o 1.631000       2.279000      ?             ?      
1 1 1 25 38 36 o 0.1751000      1.658000      ?             ?      
1 1 1 25 38 37 o -0.5538000     1.387000      ?             ?      
1 1 1 25 38 38 o 2.436000       1.030000      ?             ?      
1 1 1 25 38 39 o 0.4230000      0.9664000     ?             ?      
1 1 1 25 38 40 o 0.4603000      0.9722000     ?             ?      
1 1 1 25 38 41 o -1.582000      0.9753000     ?             ?      
1 1 1 25 38 42 o -0.6357000     0.9647000     ?             ?      
1 1 1 25 38 43 o 1.549000       0.9715000     ?             ?      
1 1 1 25 38 44 f 0.7623000      0.9706000     ?             ?      
1 1 1 25 38 45 o 1.874000       0.9991000     ?             ?      
1 1 1 25 38 46 o 2.067000       1.024000      ?             ?      
1 1 1 25 38 47 o -0.6560000     1.038000      ?             ?      
1 1 1 25 38 48 o 0.1771000      1.153000      ?             ?      
1 1 1 25 38 49 o 0.1853000      1.232000      ?             ?      
1 1 1 25 38 50 o -1.265000      1.134000      ?             ?      
1 1 1 25 38 51 o -0.5494000     1.177000      ?             ?      
1 1 1 25 38 52 o -0.7842000     1.265000      ?             ?      
1 1 1 25 38 53 o 0.5746000      1.282000      ?             ?      
1 1 1 25 39 0  o 2.124000       1.313000      118.3719      90.0   
1 1 1 25 39 1  o 1.191000       0.9115000     190.1060      136.8  
1 1 1 25 39 2  o 1.929000       0.9071000     163.0540      -76.5  
1 1 1 25 39 3  o 0.6716000      0.9002000     121.8582      160.3  
1 1 1 25 39 4  o 2.190000       0.9247000     169.4708      170.0  
1 1 1 25 39 5  o 0.4280000      0.9407000     27.79399      -93.2  
1 1 1 25 39 6  o -0.4718000E-01 0.9687000     111.7715      39.0   
1 1 1 25 39 7  o -0.7590000     1.130000      122.3178      117.7  
1 1 1 25 39 8  o -0.1385000     1.192000      27.19811      91.4   
1 1 1 25 39 9  f 1.430000       1.265000      55.45338      18.7   
1 1 1 25 39 10 o 0.7735000      1.274000      39.28841      118.0  
1 1 1 25 39 11 o -2.873000      1.552000      113.3941      53.9   
1 1 1 25 39 12 o 0.6743000      2.091000      204.2336      -140.4 
1 1 1 25 39 13 o 4.857000       2.210000      166.8045      -82.4  
1 1 1 25 39 14 o 1.737000       1.721000      93.18504      148.0  
1 1 1 25 39 15 o 2.474000       1.663000      93.45026      114.5  
1 1 1 25 39 16 o 0.4350000      1.604000      85.91962      -36.6  
1 1 1 25 39 17 o 1.581000       1.683000      146.8542      -112.2 
1 1 1 25 39 18 o -0.5810000E-01 2.299000      41.54293      25.6   
1 1 1 25 39 19 o 3.421000       2.304000      106.8484      10.5   
1 1 1 25 39 20 o 1.285000       1.669000      126.8597      -81.7  
1 1 1 25 39 21 o 0.2957000      1.391000      38.62350      117.4  
1 1 1 25 39 22 o 0.2435000      1.371000      98.66597      113.8  
1 1 1 25 39 23 o -0.8407000     1.359000      89.63400      -102.9 
1 1 1 25 39 24 o 0.4022000      1.362000      45.39583      -108.3 
1 1 1 25 39 25 o -1.315000      1.399000      68.34978      -11.4  
1 1 1 25 39 26 o 0.9028000      1.415000      ?             ?      
1 1 1 25 39 27 o -1.988000      1.343000      ?             ?      
1 1 1 25 39 28 o 1.962000       1.345000      ?             ?      
1 1 1 25 39 29 o -0.4056000     1.304000      ?             ?      
1 1 1 25 39 30 o 0.2888000      1.322000      ?             ?      
1 1 1 25 39 31 o -1.081000      1.421000      ?             ?      
1 1 1 25 39 32 o 2.103000       1.359000      ?             ?      
1 1 1 25 39 33 o 0.5709000      1.702000      ?             ?      
1 1 1 25 39 34 o -0.3669000     1.450000      ?             ?      
1 1 1 25 39 35 o -0.2206000     1.288000      ?             ?      
1 1 1 25 39 36 o 1.378000       1.283000      ?             ?      
1 1 1 25 39 37 o -1.736000      1.348000      ?             ?      
1 1 1 25 39 38 o 0.1834000      1.327000      ?             ?      
1 1 1 25 39 39 o -0.7270000     1.193000      ?             ?      
1 1 1 25 39 40 o 0.4738000      0.9465000     ?             ?      
1 1 1 25 39 41 o -0.6212000     0.9512000     ?             ?      
1 1 1 25 39 42 o -1.778000      0.9627000     ?             ?      
1 1 1 25 39 43 o -0.4095000     0.9686000     ?             ?      
1 1 1 25 39 44 o 1.356000       0.9858000     ?             ?      
1 1 1 25 39 45 o -1.059000      1.107000      ?             ?      
1 1 1 25 39 46 o -0.2251000     1.016000      ?             ?      
1 1 1 25 39 47 o 0.1535000E-01  1.017000      ?             ?      
1 1 1 25 39 48 o -1.977000      1.163000      ?             ?      
1 1 1 25 39 49 o -0.1559000     1.187000      ?             ?      
1 1 1 25 39 50 o -0.3918000     2.017000      ?             ?      
1 1 1 25 39 51 o -0.8298000     1.500000      ?             ?      
1 1 1 25 39 52 o -0.4305000     1.823000      ?             ?      
1 1 1 25 40 0  o -1.222000      1.299000      3.625623      -90.0  
1 1 1 25 40 1  o 0.7753000      0.9255000     151.8833      159.6  
1 1 1 25 40 2  o -1.340000      0.9267000     23.08393      -104.2 
1 1 1 25 40 3  o -0.2617000     0.9197000     20.99138      -69.7  
1 1 1 25 40 4  o 0.6474000      0.9351000     86.89612      -104.0 
1 1 1 25 40 5  o 0.8558000      0.9534000     187.1821      109.9  
1 1 1 25 40 6  o 2.873000       0.9813000     102.4458      150.3  
1 1 1 25 40 7  o 2.075000       1.158000      71.03117      92.4   
1 1 1 25 40 8  o 0.1872000      1.227000      223.5383      -64.6  
1 1 1 25 40 9  o -0.1386000     1.291000      79.18429      4.1    
1 1 1 25 40 10 o 0.2571000      1.301000      62.98797      145.5  
1 1 1 25 40 11 o 2.465000       2.148000      140.6901      -92.0  
1 1 1 25 40 12 o 1.385000       2.175000      80.76133      -157.5 
1 1 1 25 40 13 o 2.291000       2.231000      174.6420      -112.9 
1 1 1 25 40 14 o -1.312000      1.684000      24.66256      -21.0  
1 1 1 25 40 15 o -0.4130000E-01 1.611000      26.38458      -40.8  
1 1 1 25 40 16 o 1.258000       1.640000      30.77170      -147.1 
1 1 1 25 40 17 o 0.9991000      1.668000      117.3361      129.4  
1 1 1 25 40 18 o 3.085000       2.213000      21.36300      154.5  
1 1 1 25 40 19 o 0.1482000      2.206000      72.08000      -27.7  
1 1 1 25 40 20 o 0.9431000      1.659000      104.9084      -162.0 
1 1 1 25 40 21 o 3.082000       1.637000      116.4342      176.9  
1 1 1 25 40 22 o -0.4321000     1.409000      64.08990      -177.9 
1 1 1 25 40 23 o -0.7569000     1.373000      12.28129      39.0   
1 1 1 25 40 24 o 0.9477000      1.351000      ?             ?      
1 1 1 25 40 25 o -1.621000      1.351000      ?             ?      
1 1 1 25 40 26 o 0.1459000      1.349000      ?             ?      
1 1 1 25 40 27 o 0.2124000      1.343000      ?             ?      
1 1 1 25 40 28 o 0.9792000E-01  1.361000      ?             ?      
1 1 1 25 40 29 o -2.137000      1.335000      ?             ?      
1 1 1 25 40 30 o 1.112000       1.611000      ?             ?      
1 1 1 25 40 31 o 0.2956000      1.654000      ?             ?      
1 1 1 25 40 32 o 0.4288000      1.292000      ?             ?      
1 1 1 25 40 33 o -2.147000      1.473000      ?             ?      
1 1 1 25 40 34 o -3.377000      1.440000      ?             ?      
1 1 1 25 40 35 f 1.204000       1.316000      ?             ?      
1 1 1 25 40 36 o -1.228000      1.452000      ?             ?      
1 1 1 25 40 37 o -0.9347000     1.373000      ?             ?      
1 1 1 25 40 38 o 0.1441000      1.196000      ?             ?      
1 1 1 25 40 39 o 0.4243000      1.178000      ?             ?      
1 1 1 25 40 40 o -0.5701000     1.201000      ?             ?      
1 1 1 25 40 41 o 0.3992000      0.9575000     ?             ?      
1 1 1 25 40 42 o 1.316000       0.9640000     ?             ?      
1 1 1 25 40 43 o 0.9500000      0.9894000     ?             ?      
1 1 1 25 40 44 o -0.7478000     0.9840000     ?             ?      
1 1 1 25 40 45 o 1.233000       0.9936000     ?             ?      
1 1 1 25 40 46 o -0.5713000     1.000000      ?             ?      
1 1 1 25 40 47 o -0.3580000     1.016000      ?             ?      
1 1 1 25 40 48 o 0.5779000      1.031000      ?             ?      
1 1 1 25 40 49 o 0.7021000      1.202000      ?             ?      
1 1 1 25 40 50 o -0.8920000E-01 1.369000      ?             ?      
1 1 1 25 40 51 o -2.742000      1.785000      ?             ?      
1 1 1 25 41 0  o 1.140000       1.301000      36.64155      -90.0  
1 1 1 25 41 1  o 2.865000       0.9292000     116.4816      -129.0 
1 1 1 25 41 2  o 4.038000       0.9594000     51.22596      -108.7 
1 1 1 25 41 3  o 5.634000       0.9808000     230.2381      137.1  
1 1 1 25 41 4  o 1.539000       0.9518000     96.11921      -150.2 
1 1 1 25 41 5  o 1.855000       0.9656000     104.4907      -44.5  
1 1 1 25 41 6  o -1.406000      0.9572000     124.7571      138.3  
1 1 1 25 41 7  o -0.4318000     1.173000      101.7648      69.6   
1 1 1 25 41 8  o 1.766000       1.213000      116.1436      8.2    
1 1 1 25 41 9  o -1.780000      1.299000      68.42902      -93.8  
1 1 1 25 41 10 o 0.9234000E-01  1.371000      32.82219      -27.9  
1 1 1 25 41 11 o 2.976000       2.150000      76.61792      127.5  
1 1 1 25 41 12 o 1.080000       2.233000      130.8744      -63.0  
1 1 1 25 41 13 o -1.119000      1.674000      70.32420      161.8  
1 1 1 25 41 14 o 0.7712000      1.619000      43.75903      -176.6 
1 1 1 25 41 15 o -1.092000      1.588000      64.21793      54.2   
1 1 1 25 41 16 o -0.8924000     1.599000      99.88889      175.8  
1 1 1 25 41 17 o -1.593000      2.165000      67.04630      28.7   
1 1 1 25 41 18 o -0.2835000     2.132000      25.99036      -5.6   
1 1 1 25 41 19 o 1.127000       1.607000      61.50315      -110.6 
1 1 1 25 41 20 o 0.7082000      1.648000      39.31522      -57.3  
1 1 1 25 41 21 o -2.827000      1.586000      20.23399      29.0   
1 1 1 25 41 22 o -0.7851000     1.589000      ?             ?      
1 1 1 25 41 23 o -0.9329000     1.567000      ?             ?      
1 1 1 25 41 24 o -1.032000      1.316000      ?             ?      
1 1 1 25 41 25 o -0.1655000E-01 1.352000      ?             ?      
1 1 1 25 41 26 o -0.3891000     1.412000      ?             ?      
1 1 1 25 41 27 o 1.553000       1.434000      ?             ?      
1 1 1 25 41 28 o 0.9344000      1.578000      ?             ?      
1 1 1 25 41 29 o 0.1782000      1.324000      ?             ?      
1 1 1 25 41 30 o -0.7995000     1.327000      ?             ?      
1 1 1 25 41 31 o -0.8776000     1.314000      ?             ?      
1 1 1 25 41 32 o -0.2300000     1.481000      ?             ?      
1 1 1 25 41 33 o 1.558000       1.467000      ?             ?      
1 1 1 25 41 34 o -1.054000      1.294000      ?             ?      
1 1 1 25 41 35 o -2.775000      1.252000      ?             ?      
1 1 1 25 41 36 o -1.637000      1.371000      ?             ?      
1 1 1 25 41 37 o -0.6189000     1.358000      ?             ?      
1 1 1 25 41 38 o 0.4968000      1.222000      ?             ?      
1 1 1 25 41 39 o 0.7145000      1.207000      ?             ?      
1 1 1 25 41 40 o -0.2561000     1.182000      ?             ?      
1 1 1 25 41 41 o -1.047000      1.305000      ?             ?      
1 1 1 25 41 42 o 0.9929000      0.9898000     ?             ?      
1 1 1 25 41 43 o -0.2767000     0.9599000     ?             ?      
1 1 1 25 41 44 o 0.3898000      0.9832000     ?             ?      
1 1 1 25 41 45 o 0.2261000E-01  1.002000      ?             ?      
1 1 1 25 41 46 o 0.4370000E-01  1.014000      ?             ?      
1 1 1 25 41 47 o 0.7548000      1.025000      ?             ?      
1 1 1 25 41 48 o 1.231000       1.443000      ?             ?      
1 1 1 25 41 49 o 0.1102000E-02  1.251000      ?             ?      
1 1 1 25 41 50 o -0.2004000     1.961000      ?             ?      
1 1 1 25 42 0  o 2.015000       1.278000      35.43652      90.0   
1 1 1 25 42 1  o 0.1512000      0.9182000     54.27942      26.8   
1 1 1 25 42 2  o 0.5198000E-01  0.9431000     18.78355      0.0    
1 1 1 25 42 3  o -1.854000      0.9437000     28.30632      -77.9  
1 1 1 25 42 4  o -0.2500000     0.9453000     26.64763      136.6  
1 1 1 25 42 5  o 0.1600000      0.9497000     30.04944      -139.1 
1 1 1 25 42 6  o 0.1823000      0.9503000     39.08953      -49.0  
1 1 1 25 42 7  o -0.7622000     1.213000      22.47824      -18.4  
1 1 1 25 42 8  o -1.101000      1.220000      44.31142      178.1  
1 1 1 25 42 9  o -1.697000      1.342000      28.57869      -16.0  
1 1 1 25 42 10 o 0.6324000      1.608000      69.56741      -65.0  
1 1 1 25 42 11 o -2.221000      2.121000      28.77202      -116.4 
1 1 1 25 42 12 o 0.1260000      2.148000      56.87337      -97.8  
1 1 1 25 42 13 o -1.040000      1.623000      23.61158      37.3   
1 1 1 25 42 14 o 1.525000       1.585000      60.00528      146.8  
1 1 1 25 42 15 o 1.634000       1.648000      45.51126      97.7   
1 1 1 25 42 16 o 0.7721000      1.448000      44.35704      126.1  
1 1 1 25 42 17 o -2.677000      2.196000      32.83548      16.4   
1 1 1 25 42 18 o -0.9621000     2.190000      7.251218      -123.0 
1 1 1 25 42 19 o -1.917000      1.570000      ?             ?      
1 1 1 25 42 20 o 0.5255000E-01  1.548000      ?             ?      
1 1 1 25 42 21 o -0.8612000     1.567000      ?             ?      
1 1 1 25 42 22 o 1.519000       1.572000      ?             ?      
1 1 1 25 42 23 o -0.1549000     1.590000      ?             ?      
1 1 1 25 42 24 o -1.128000      1.586000      ?             ?      
1 1 1 25 42 25 o 1.039000       1.536000      ?             ?      
1 1 1 25 42 26 o -0.2332000     1.542000      ?             ?      
1 1 1 25 42 27 o -0.3693000     1.314000      ?             ?      
1 1 1 25 42 28 o -0.4426000     1.307000      ?             ?      
1 1 1 25 42 29 o -0.4425000     1.312000      ?             ?      
1 1 1 25 42 30 o -0.2908000     1.317000      ?             ?      
1 1 1 25 42 31 o 0.5142000      1.300000      ?             ?      
1 1 1 25 42 32 o -1.175000      1.502000      ?             ?      
1 1 1 25 42 33 o 0.3541000E-01  1.502000      ?             ?      
1 1 1 25 42 34 o 0.9048000      1.284000      ?             ?      
1 1 1 25 42 35 o -0.3195000     1.386000      ?             ?      
1 1 1 25 42 36 o -2.152000      1.381000      ?             ?      
1 1 1 25 42 37 o 1.499000       1.236000      ?             ?      
1 1 1 25 42 38 o 0.7070000      1.227000      ?             ?      
1 1 1 25 42 39 o 0.5268000      1.247000      ?             ?      
1 1 1 25 42 40 o -1.118000      1.229000      ?             ?      
1 1 1 25 42 41 o -0.3293000     1.191000      ?             ?      
1 1 1 25 42 42 o 0.3476000      1.202000      ?             ?      
1 1 1 25 42 43 o -0.8378000E-01 1.229000      ?             ?      
1 1 1 25 42 44 o -0.2985000E-01 0.9770000     ?             ?      
1 1 1 25 42 45 o -0.4875000     1.000000      ?             ?      
1 1 1 25 42 46 o 0.6819000      1.032000      ?             ?      
1 1 1 25 42 47 o 0.5473000      1.033000      ?             ?      
1 1 1 25 42 48 o 0.1514000      1.074000      ?             ?      
1 1 1 25 42 49 o -0.7576000     1.092000      ?             ?      
1 1 1 25 43 0  o -0.3172000     1.282000      76.29163      90.0   
1 1 1 25 43 1  o -0.1431000     0.9117000     71.06973      -176.1 
1 1 1 25 43 2  o 0.4220000      0.9257000     85.30170      69.0   
1 1 1 25 43 3  o 0.2009000      0.9335000     27.44723      4.1    
1 1 1 25 43 4  o 0.3928000      0.9364000     46.77303      -117.4 
1 1 1 25 43 5  o 0.1138000      0.9513000     38.73148      86.6   
1 1 1 25 43 6  o 0.3515000      0.9459000     33.57440      103.7  
1 1 1 25 43 7  o 0.6384000      1.221000      41.23151      13.7   
1 1 1 25 43 8  o -0.3497000E-01 1.212000      50.65562      82.3   
1 1 1 25 43 9  o -0.9962000     1.543000      55.56461      -152.0 
1 1 1 25 43 10 o -0.6319000     2.122000      41.47612      154.0  
1 1 1 25 43 11 o 1.121000       2.173000      38.78204      -153.1 
1 1 1 25 43 12 o -0.9637000E-01 1.608000      28.93546      -77.6  
1 1 1 25 43 13 o 1.711000       1.599000      76.68195      175.5  
1 1 1 25 43 14 o 1.619000       1.623000      59.02324      174.8  
1 1 1 25 43 15 o -0.8096000     1.653000      ?             ?      
1 1 1 25 43 16 o 0.7205000      1.722000      ?             ?      
1 1 1 25 43 17 o -1.090000      2.188000      ?             ?      
1 1 1 25 43 18 o 1.449000       1.609000      ?             ?      
1 1 1 25 43 19 o 1.107000       1.578000      ?             ?      
1 1 1 25 43 20 o -0.2189000     1.555000      ?             ?      
1 1 1 25 43 21 o -0.9633000     1.597000      ?             ?      
1 1 1 25 43 22 o -1.031000      1.552000      ?             ?      
1 1 1 25 43 23 o 2.437000       1.545000      ?             ?      
1 1 1 25 43 24 o 0.1449000      1.516000      ?             ?      
1 1 1 25 43 25 o 1.133000       1.585000      ?             ?      
1 1 1 25 43 26 o 0.3801000E-01  1.286000      ?             ?      
1 1 1 25 43 27 o -0.5229000     1.294000      ?             ?      
1 1 1 25 43 28 o -1.696000      1.290000      ?             ?      
1 1 1 25 43 29 o 0.7717000      1.280000      ?             ?      
1 1 1 25 43 30 o 0.1689000      1.287000      ?             ?      
1 1 1 25 43 31 o -0.7066000     1.508000      ?             ?      
1 1 1 25 43 32 o -0.3804000     1.513000      ?             ?      
1 1 1 25 43 33 o 0.2174000      1.332000      ?             ?      
1 1 1 25 43 34 o -0.3105000E-01 1.300000      ?             ?      
1 1 1 25 43 35 o 1.259000       1.453000      ?             ?      
1 1 1 25 43 36 o 0.1209000      1.398000      ?             ?      
1 1 1 25 43 37 o -1.004000      1.230000      ?             ?      
1 1 1 25 43 38 o 2.100000       1.253000      ?             ?      
1 1 1 25 43 39 o 2.363000       1.291000      ?             ?      
1 1 1 25 43 40 o 0.2827000E-01  1.249000      ?             ?      
1 1 1 25 43 41 o -4.000000      1.388000      ?             ?      
1 1 1 25 43 42 o -0.1558000     1.228000      ?             ?      
1 1 1 25 43 43 o -0.6604000     1.232000      ?             ?      
1 1 1 25 43 44 o -3.548000      2.140000      ?             ?      
1 1 1 25 43 45 o 0.8720000      1.025000      ?             ?      
1 1 1 25 43 46 o 1.307000       1.014000      ?             ?      
1 1 1 25 43 47 o 0.1810000      1.033000      ?             ?      
1 1 1 25 43 48 o 0.8443000      1.268000      ?             ?      
1 1 1 25 44 0  o -2.277000      1.276000      0.4843113     90.0   
1 1 1 25 44 1  o -0.5028000     0.9067000     59.01273      151.6  
1 1 1 25 44 2  o -0.7748000E-01 0.9182000     18.76771      -117.8 
1 1 1 25 44 3  o 0.4884000      0.9229000     80.49677      105.7  
1 1 1 25 44 4  o 1.041000       0.9305000     97.62992      -175.3 
1 1 1 25 44 5  o -1.539000      0.9325000     39.33297      -43.5  
1 1 1 25 44 6  o 0.5650000E-01  0.9521000     46.72069      -170.1 
1 1 1 25 44 7  o 0.9671000      1.387000      95.33727      133.8  
1 1 1 25 44 8  o 0.5589000      1.384000      19.64508      70.3   
1 1 1 25 44 9  o -1.165000      1.548000      18.64280      -128.9 
1 1 1 25 44 10 o -0.3152000     1.591000      90.88103      -44.9  
1 1 1 25 44 11 o 1.334000       1.701000      ?             ?      
1 1 1 25 44 12 o 0.5110000      1.613000      ?             ?      
1 1 1 25 44 13 o 0.8914000      1.562000      ?             ?      
1 1 1 25 44 14 o -1.483000      1.567000      ?             ?      
1 1 1 25 44 15 o -0.3202000     1.407000      ?             ?      
1 1 1 25 44 16 o 1.023000       1.663000      ?             ?      
1 1 1 25 44 17 o -0.8421000     2.150000      ?             ?      
1 1 1 25 44 18 o -1.191000      1.557000      ?             ?      
1 1 1 25 44 19 o -2.941000      2.783000      ?             ?      
1 1 1 25 44 20 o -1.510000      1.515000      ?             ?      
1 1 1 25 44 21 o -0.9288000     1.510000      ?             ?      
1 1 1 25 44 22 o -1.920000      1.481000      ?             ?      
1 1 1 25 44 23 o 0.4012000E-02  1.497000      ?             ?      
1 1 1 25 44 24 o 1.848000       1.504000      ?             ?      
1 1 1 25 44 25 o 1.214000       1.507000      ?             ?      
1 1 1 25 44 26 o -3.183000      1.559000      ?             ?      
1 1 1 25 44 27 o -0.6739000     1.283000      ?             ?      
1 1 1 25 44 28 o 1.504000       1.296000      ?             ?      
1 1 1 25 44 29 o -0.7909000     1.280000      ?             ?      
1 1 1 25 44 30 o 0.4363000      1.325000      ?             ?      
1 1 1 25 44 31 o 0.2304000E-01  1.497000      ?             ?      
1 1 1 25 44 32 o 0.8099000      1.292000      ?             ?      
1 1 1 25 44 33 o -0.1154000     1.324000      ?             ?      
1 1 1 25 44 34 o -1.707000      1.526000      ?             ?      
1 1 1 25 44 35 o -1.642000      1.479000      ?             ?      
1 1 1 25 44 36 o 0.4331000      1.241000      ?             ?      
1 1 1 25 44 37 o -0.1205000     1.237000      ?             ?      
1 1 1 25 44 38 o 0.8318000      1.235000      ?             ?      
1 1 1 25 44 39 o 1.733000       1.228000      ?             ?      
1 1 1 25 44 40 o -0.2871000     1.249000      ?             ?      
1 1 1 25 44 41 o -1.359000      1.261000      ?             ?      
1 1 1 25 44 42 o -1.134000      1.262000      ?             ?      
1 1 1 25 44 43 o -0.4333000     1.264000      ?             ?      
1 1 1 25 44 44 o 0.4065000      1.229000      ?             ?      
1 1 1 25 44 45 o -0.9980000     1.202000      ?             ?      
1 1 1 25 44 46 o -0.1656000     1.274000      ?             ?      
1 1 1 25 44 47 o -2.951000      1.215000      ?             ?      
1 1 1 25 45 0  o -0.2728000E-01 1.287000      ?             ?      
1 1 1 25 45 1  o 2.229000       0.9121000     ?             ?      
1 1 1 25 45 2  o 1.103000       0.9147000     ?             ?      
1 1 1 25 45 3  o -1.542000      0.8973000     ?             ?      
1 1 1 25 45 4  o -0.4126000     0.9047000     ?             ?      
1 1 1 25 45 5  o 0.7721000      0.9902000     ?             ?      
1 1 1 25 45 6  o 1.373000       0.9375000     ?             ?      
1 1 1 25 45 7  o -0.5115000     1.202000      ?             ?      
1 1 1 25 45 8  o 0.6982000      1.465000      ?             ?      
1 1 1 25 45 9  o -1.997000      1.555000      ?             ?      
1 1 1 25 45 10 o 0.5265000      1.628000      ?             ?      
1 1 1 25 45 11 o 0.9224000      1.706000      ?             ?      
1 1 1 25 45 12 o 0.9136000      1.549000      ?             ?      
1 1 1 25 45 13 o -1.540000      1.539000      ?             ?      
1 1 1 25 45 14 o -0.2969000     1.605000      ?             ?      
1 1 1 25 45 15 o -0.9241000     1.662000      ?             ?      
1 1 1 25 45 16 o 3.551000       1.632000      ?             ?      
1 1 1 25 45 17 f 0.5284000      1.576000      ?             ?      
1 1 1 25 45 18 o -2.577000      1.473000      ?             ?      
1 1 1 25 45 19 o -1.294000      1.499000      ?             ?      
1 1 1 25 45 20 o -0.4983000     1.489000      ?             ?      
1 1 1 25 45 21 o 0.1936000      1.485000      ?             ?      
1 1 1 25 45 22 o 2.618000       1.496000      ?             ?      
1 1 1 25 45 23 o 2.083000       1.539000      ?             ?      
1 1 1 25 45 24 o 2.653000       1.519000      ?             ?      
1 1 1 25 45 25 o 0.6241000      1.534000      ?             ?      
1 1 1 25 45 26 o 0.9063000      1.592000      ?             ?      
1 1 1 25 45 27 o -0.5526000     1.568000      ?             ?      
1 1 1 25 45 28 o 1.314000       1.603000      ?             ?      
1 1 1 25 45 29 o -1.620000      1.307000      ?             ?      
1 1 1 25 45 30 o 1.117000       1.537000      ?             ?      
1 1 1 25 45 31 o -0.4453000     1.537000      ?             ?      
1 1 1 25 45 32 o -2.316000      1.288000      ?             ?      
1 1 1 25 45 33 o 0.1184000      1.306000      ?             ?      
1 1 1 25 45 34 o -0.9857000     1.485000      ?             ?      
1 1 1 25 45 35 o -1.373000      1.484000      ?             ?      
1 1 1 25 45 36 o -1.764000      1.327000      ?             ?      
1 1 1 25 45 37 o 0.3089000      1.298000      ?             ?      
1 1 1 25 45 38 o -1.339000      1.257000      ?             ?      
1 1 1 25 45 39 o -0.9104000     1.260000      ?             ?      
1 1 1 25 45 40 o 1.678000       1.247000      ?             ?      
1 1 1 25 45 41 o 1.474000       1.267000      ?             ?      
1 1 1 25 45 42 o 0.9804000E-01  1.264000      ?             ?      
1 1 1 25 45 43 o -0.6855000     1.272000      ?             ?      
1 1 1 25 45 44 o 0.8840000      1.278000      ?             ?      
1 1 1 25 45 45 o -0.4618000     1.250000      ?             ?      
1 1 1 25 45 46 < 0.000000       -1.000000     ?             ?      
1 1 1 25 46 0  o 0.2448000      1.264000      ?             ?      
1 1 1 25 46 1  o 2.639000       0.8988000     ?             ?      
1 1 1 25 46 2  o 1.833000       1.006000      ?             ?      
1 1 1 25 46 3  o 0.7765000      0.9900000     ?             ?      
1 1 1 25 46 4  o -1.975000      0.8921000     ?             ?      
1 1 1 25 46 5  o -0.4732000     0.8938000     ?             ?      
1 1 1 25 46 6  o -0.9918000E-01 0.9404000     ?             ?      
1 1 1 25 46 7  o 0.2245000      1.262000      ?             ?      
1 1 1 25 46 8  o -0.3760000     1.428000      ?             ?      
1 1 1 25 46 9  o -1.708000      1.505000      ?             ?      
1 1 1 25 46 10 o -1.104000      1.304000      ?             ?      
1 1 1 25 46 11 o 0.3206000      1.613000      ?             ?      
1 1 1 25 46 12 o -0.3627000     1.521000      ?             ?      
1 1 1 25 46 13 o -0.3642000     1.565000      ?             ?      
1 1 1 25 46 14 o 1.168000       1.657000      ?             ?      
1 1 1 25 46 15 o -1.361000      1.585000      ?             ?      
1 1 1 25 46 16 o 0.2182000      1.519000      ?             ?      
1 1 1 25 46 17 o -0.8450000     1.457000      ?             ?      
1 1 1 25 46 18 o -0.3259000     1.465000      ?             ?      
1 1 1 25 46 19 o 2.067000       1.465000      ?             ?      
1 1 1 25 46 20 o -0.5080000     1.489000      ?             ?      
1 1 1 25 46 21 o 1.184000       1.507000      ?             ?      
1 1 1 25 46 22 o 3.283000       1.531000      ?             ?      
1 1 1 25 46 23 o 0.1145000      1.529000      ?             ?      
1 1 1 25 46 24 o -0.4791000     1.546000      ?             ?      
1 1 1 25 46 25 o -1.831000      1.571000      ?             ?      
1 1 1 25 46 26 o 1.056000       1.573000      ?             ?      
1 1 1 25 46 27 o -1.317000      1.562000      ?             ?      
1 1 1 25 46 28 o 0.1241000      1.594000      ?             ?      
1 1 1 25 46 29 o 0.4503000      2.215000      ?             ?      
1 1 1 25 46 30 o 1.678000       1.561000      ?             ?      
1 1 1 25 46 31 o 0.9760000      1.335000      ?             ?      
1 1 1 25 46 32 o 0.2775000      1.301000      ?             ?      
1 1 1 25 46 33 o 0.6200000      1.055000      ?             ?      
1 1 1 25 46 34 o 0.9353000      1.524000      ?             ?      
1 1 1 25 46 35 o -1.379000      1.282000      ?             ?      
1 1 1 25 46 36 o -0.8489000     1.285000      ?             ?      
1 1 1 25 46 37 o -0.6729000     1.309000      ?             ?      
1 1 1 25 46 38 o 1.779000       1.317000      ?             ?      
1 1 1 25 46 39 o 1.878000       1.292000      ?             ?      
1 1 1 25 46 40 o -1.509000      1.254000      ?             ?      
1 1 1 25 46 41 o -0.9905000     1.263000      ?             ?      
1 1 1 25 46 42 o -3.102000      1.268000      ?             ?      
1 1 1 25 46 43 o -1.389000      1.263000      ?             ?      
1 1 1 25 46 44 o -0.3142000     1.291000      ?             ?      
1 1 1 25 47 0  o -1.288000      1.541000      ?             ?      
1 1 1 25 47 1  o -0.7681000     0.9951000     ?             ?      
1 1 1 25 47 2  o -0.2160000     0.8817000     ?             ?      
1 1 1 25 47 3  o 1.235000       0.9124000     ?             ?      
1 1 1 25 47 4  o 1.125000       0.8901000     ?             ?      
1 1 1 25 47 5  o -0.1468000     0.8772000     ?             ?      
1 1 1 25 47 6  o -0.3864000     0.8932000     ?             ?      
1 1 1 25 47 7  o -0.4896000     1.387000      ?             ?      
1 1 1 25 47 8  o -0.3125000     1.438000      ?             ?      
1 1 1 25 47 9  o 1.061000       1.498000      ?             ?      
1 1 1 25 47 10 o -0.1240000     1.317000      ?             ?      
1 1 1 25 47 11 o 1.214000       1.727000      ?             ?      
1 1 1 25 47 12 o -0.7197000     1.453000      ?             ?      
1 1 1 25 47 13 o 1.634000       1.538000      ?             ?      
1 1 1 25 47 14 o 0.8348000      1.367000      ?             ?      
1 1 1 25 47 15 o -0.1361000     1.529000      ?             ?      
1 1 1 25 47 16 o 1.622000       1.476000      ?             ?      
1 1 1 25 47 17 o -2.051000      1.408000      ?             ?      
1 1 1 25 47 18 o -1.128000      1.431000      ?             ?      
1 1 1 25 47 19 o -1.610000      1.457000      ?             ?      
1 1 1 25 47 20 o 0.7858000      1.490000      ?             ?      
1 1 1 25 47 21 o 0.4951000      1.484000      ?             ?      
1 1 1 25 47 22 o -1.280000      1.481000      ?             ?      
1 1 1 25 47 23 o -0.9803000     1.556000      ?             ?      
1 1 1 25 47 24 o 0.8167000      1.602000      ?             ?      
1 1 1 25 47 25 o 0.2001000E-01  1.597000      ?             ?      
1 1 1 25 47 26 o 2.333000       1.608000      ?             ?      
1 1 1 25 47 27 o 0.7974000      1.589000      ?             ?      
1 1 1 25 47 28 o 0.6106000      1.621000      ?             ?      
1 1 1 25 47 29 o 0.9469000E-01  2.160000      ?             ?      
1 1 1 25 47 30 o -0.5406000     1.688000      ?             ?      
1 1 1 25 47 31 o -0.2581000E-01 1.343000      ?             ?      
1 1 1 25 47 32 o -0.4645000     1.327000      ?             ?      
1 1 1 25 47 33 o 2.060000       1.579000      ?             ?      
1 1 1 25 47 34 o 0.2179000      1.567000      ?             ?      
1 1 1 25 47 35 o -0.6168000     1.300000      ?             ?      
1 1 1 25 47 36 o -1.081000      1.500000      ?             ?      
1 1 1 25 47 37 o 1.959000       1.311000      ?             ?      
1 1 1 25 47 38 o 0.9882000E-01  1.316000      ?             ?      
1 1 1 25 47 39 o 1.352000       1.377000      ?             ?      
1 1 1 25 47 40 o 1.480000       1.321000      ?             ?      
1 1 1 25 47 41 o -0.6341000     1.294000      ?             ?      
1 1 1 25 47 42 o -0.7034000     1.280000      ?             ?      
1 1 1 25 47 43 o -1.197000      1.725000      ?             ?      
1 1 1 25 48 0  o 1.134000       1.275000      ?             ?      
1 1 1 25 48 1  o -1.082000      0.8766000     ?             ?      
1 1 1 25 48 2  o 1.478000       0.9860000     ?             ?      
1 1 1 25 48 3  o -0.2913000     0.9695000     ?             ?      
1 1 1 25 48 4  o 1.207000       0.9850000     ?             ?      
1 1 1 25 48 5  o 0.3177000      0.8763000     ?             ?      
1 1 1 25 48 6  o 0.2961000      1.010000      ?             ?      
1 1 1 25 48 7  o 0.4919000      1.423000      ?             ?      
1 1 1 25 48 8  o 1.120000       1.417000      ?             ?      
1 1 1 25 48 9  o -1.500000      1.154000      ?             ?      
1 1 1 25 48 10 o 0.6813000      1.239000      ?             ?      
1 1 1 25 48 11 o 1.388000       1.515000      ?             ?      
1 1 1 25 48 12 o 1.126000       1.447000      ?             ?      
1 1 1 25 48 13 o 0.7739000      1.477000      ?             ?      
1 1 1 25 48 14 o 0.2428000      1.558000      ?             ?      
1 1 1 25 48 15 o 0.6804000      1.521000      ?             ?      
1 1 1 25 48 16 o 0.1781000      1.226000      ?             ?      
1 1 1 25 48 17 o 0.4194000      1.428000      ?             ?      
1 1 1 25 48 18 o -2.096000      1.437000      ?             ?      
1 1 1 25 48 19 o 0.2069000E-01  1.457000      ?             ?      
1 1 1 25 48 20 o -0.3615000     1.449000      ?             ?      
1 1 1 25 48 21 o 1.426000       1.464000      ?             ?      
1 1 1 25 48 22 o 0.7549000      1.531000      ?             ?      
1 1 1 25 48 23 o 0.7805000E-01  1.558000      ?             ?      
1 1 1 25 48 24 o -0.4593000E-01 1.556000      ?             ?      
1 1 1 25 48 25 o 1.705000       1.586000      ?             ?      
1 1 1 25 48 26 o -1.631000      1.566000      ?             ?      
1 1 1 25 48 27 o -1.048000      1.584000      ?             ?      
1 1 1 25 48 28 o 1.496000       2.204000      ?             ?      
1 1 1 25 48 29 o -2.170000      2.187000      ?             ?      
1 1 1 25 48 30 o -1.613000      1.598000      ?             ?      
1 1 1 25 48 31 o -0.2796000     1.613000      ?             ?      
1 1 1 25 48 32 o 1.941000       2.237000      ?             ?      
1 1 1 25 48 33 o 2.565000       1.564000      ?             ?      
1 1 1 25 48 34 o 0.7053000      1.340000      ?             ?      
1 1 1 25 48 35 o 0.8906000      1.317000      ?             ?      
1 1 1 25 48 36 o 0.9583000      1.336000      ?             ?      
1 1 1 25 48 37 o -0.8871000     1.334000      ?             ?      
1 1 1 25 48 38 o -3.412000      1.327000      ?             ?      
1 1 1 25 48 39 o -0.1899000     1.306000      ?             ?      
1 1 1 25 48 40 o 1.131000       1.339000      ?             ?      
1 1 1 25 48 41 o 3.302000       3.241000      ?             ?      
1 1 1 25 49 0  o -0.9515000     1.174000      ?             ?      
1 1 1 25 49 1  o 1.389000       0.8421000     ?             ?      
1 1 1 25 49 2  o -0.5103000     0.8471000     ?             ?      
1 1 1 25 49 3  o -0.2012000     0.9132000     ?             ?      
1 1 1 25 49 4  o 1.340000       0.8987000     ?             ?      
1 1 1 25 49 5  o -2.264000      0.9252000     ?             ?      
1 1 1 25 49 6  o 0.1292000      1.284000      ?             ?      
1 1 1 25 49 7  o -0.9107000     1.503000      ?             ?      
1 1 1 25 49 8  o -0.5035000     1.118000      ?             ?      
1 1 1 25 49 9  o 0.3311000      1.133000      ?             ?      
1 1 1 25 49 10 o 0.6373000      1.387000      ?             ?      
1 1 1 25 49 11 o -0.4790000E-01 1.488000      ?             ?      
1 1 1 25 49 12 o -2.040000      1.471000      ?             ?      
1 1 1 25 49 13 o 0.7300000      1.507000      ?             ?      
1 1 1 25 49 14 o -0.9462000     1.507000      ?             ?      
1 1 1 25 49 15 o 2.712000       1.485000      ?             ?      
1 1 1 25 49 16 o 1.675000       1.222000      ?             ?      
1 1 1 25 49 17 o 1.799000       1.458000      ?             ?      
1 1 1 25 49 18 o -0.7905000     1.428000      ?             ?      
1 1 1 25 49 19 o 1.562000       1.457000      ?             ?      
1 1 1 25 49 20 o -0.1540000     1.453000      ?             ?      
1 1 1 25 49 21 o 2.392000       1.505000      ?             ?      
1 1 1 25 49 22 o -2.309000      1.507000      ?             ?      
1 1 1 25 49 23 o -0.1435000     1.529000      ?             ?      
1 1 1 25 49 24 o -0.9230000     1.539000      ?             ?      
1 1 1 25 49 25 o -1.415000      1.539000      ?             ?      
1 1 1 25 49 26 o 0.2031000E-01  1.581000      ?             ?      
1 1 1 25 49 27 o -0.5910000     2.138000      ?             ?      
1 1 1 25 49 28 f -2.040000      2.122000      ?             ?      
1 1 1 25 49 29 o 2.984000       1.643000      ?             ?      
1 1 1 25 49 30 o 2.349000       1.617000      ?             ?      
1 1 1 25 49 31 o -0.2423000     1.608000      ?             ?      
1 1 1 25 49 32 o 1.272000       2.263000      ?             ?      
1 1 1 25 49 33 o 2.027000       2.242000      ?             ?      
1 1 1 25 49 34 o 0.5839000      1.341000      ?             ?      
1 1 1 25 49 35 o 0.7258000E-02  1.345000      ?             ?      
1 1 1 25 49 36 o -0.1807000     1.342000      ?             ?      
1 1 1 25 49 37 o 1.051000       1.356000      ?             ?      
1 1 1 25 49 38 o 1.056000       1.351000      ?             ?      
1 1 1 25 49 39 o 1.925000       1.359000      ?             ?      
1 1 1 25 49 40 o -3.165000      1.720000      ?             ?      
1 1 1 25 50 0  o 0.4105000      1.276000      ?             ?      
1 1 1 25 50 1  o -0.5672000     0.8679000     ?             ?      
1 1 1 25 50 2  o 1.286000       0.8333000     ?             ?      
1 1 1 25 50 3  o 0.6604000      0.9407000     ?             ?      
1 1 1 25 50 4  o -0.7332000     0.9613000     ?             ?      
1 1 1 25 50 5  o 1.010000       0.8834000     ?             ?      
1 1 1 25 50 6  o 0.6071000      0.9185000     ?             ?      
1 1 1 25 50 7  o -0.7653000     1.741000      ?             ?      
1 1 1 25 50 8  o -0.4004000     1.094000      ?             ?      
1 1 1 25 50 9  o -0.5431000     1.118000      ?             ?      
1 1 1 25 50 10 o 3.331000       1.421000      ?             ?      
1 1 1 25 50 11 o 0.7029000      1.465000      ?             ?      
1 1 1 25 50 12 o 0.4555000      1.428000      ?             ?      
1 1 1 25 50 13 o -1.502000      1.952000      ?             ?      
1 1 1 25 50 14 o 0.4904000      1.465000      ?             ?      
1 1 1 25 50 15 o -0.3367000     1.232000      ?             ?      
1 1 1 25 50 16 o -0.2976000     1.219000      ?             ?      
1 1 1 25 50 17 o -0.2218000     1.429000      ?             ?      
1 1 1 25 50 18 o 2.427000       1.451000      ?             ?      
1 1 1 25 50 19 o -0.1740000     1.441000      ?             ?      
1 1 1 25 50 20 o -0.3747000     1.491000      ?             ?      
1 1 1 25 50 21 o 4.227000       1.516000      ?             ?      
1 1 1 25 50 22 o -2.054000      1.488000      ?             ?      
1 1 1 25 50 23 o -1.929000      1.513000      ?             ?      
1 1 1 25 50 24 o 0.8046000      1.515000      ?             ?      
1 1 1 25 50 25 o -0.4848000     1.556000      ?             ?      
1 1 1 25 50 26 o -1.531000      2.971000      ?             ?      
1 1 1 25 50 27 o 2.263000       2.193000      ?             ?      
1 1 1 25 50 28 o 0.9748000      2.202000      ?             ?      
1 1 1 25 50 29 o 0.5630000      1.607000      ?             ?      
1 1 1 25 50 30 o 1.726000       1.616000      ?             ?      
1 1 1 25 50 31 o -1.326000      2.228000      ?             ?      
1 1 1 25 50 32 o -0.6393000     2.237000      ?             ?      
1 1 1 25 50 33 o 1.565000       1.682000      ?             ?      
1 1 1 25 50 34 o 0.7812000      1.650000      ?             ?      
1 1 1 25 50 35 o -1.166000      1.685000      ?             ?      
1 1 1 25 50 36 o 0.7663000      1.356000      ?             ?      
1 1 1 25 50 37 o 0.8048000      1.372000      ?             ?      
1 1 1 25 50 38 o 0.3101000      1.697000      ?             ?      
1 1 1 25 51 0  o -0.7167000     1.383000      ?             ?      
1 1 1 25 51 1  o -1.576000      0.9055000     ?             ?      
1 1 1 25 51 2  o -0.1278000     0.8291000     ?             ?      
1 1 1 25 51 3  o -0.3049000     0.8552000     ?             ?      
1 1 1 25 51 4  o -0.3248000     0.8489000     ?             ?      
1 1 1 25 51 5  o 1.348000       0.8652000     ?             ?      
1 1 1 25 51 6  o -0.6698000     0.9202000     ?             ?      
1 1 1 25 51 7  o -0.5171000     1.135000      ?             ?      
1 1 1 25 51 8  o -0.8035000     1.048000      ?             ?      
1 1 1 25 51 9  o -0.3644000E-01 1.228000      ?             ?      
1 1 1 25 51 10 o 1.120000       1.920000      ?             ?      
1 1 1 25 51 11 o 1.009000       1.953000      ?             ?      
1 1 1 25 51 12 o -2.257000      1.458000      ?             ?      
1 1 1 25 51 13 o -1.758000      1.959000      ?             ?      
1 1 1 25 51 14 o 1.422000       1.491000      ?             ?      
1 1 1 25 51 15 o -0.4088000     1.467000      ?             ?      
1 1 1 25 51 16 o 0.7917000      1.216000      ?             ?      
1 1 1 25 51 17 o 2.807000       1.446000      ?             ?      
1 1 1 25 51 18 o -1.412000      1.438000      ?             ?      
1 1 1 25 51 19 o -0.9830000     1.496000      ?             ?      
1 1 1 25 51 20 o -0.2114000     1.525000      ?             ?      
1 1 1 25 51 21 o 2.683000       1.563000      ?             ?      
1 1 1 25 51 22 o 1.007000       1.519000      ?             ?      
1 1 1 25 51 23 o 1.579000       1.552000      ?             ?      
1 1 1 25 51 24 o -1.041000      1.527000      ?             ?      
1 1 1 25 51 25 o 0.1724000      1.550000      ?             ?      
1 1 1 25 51 26 o -0.5541000E-01 2.126000      ?             ?      
1 1 1 25 51 27 o -0.1304000     2.148000      ?             ?      
1 1 1 25 51 28 o 0.3118000E-01  1.600000      ?             ?      
1 1 1 25 51 29 o -2.744000      1.589000      ?             ?      
1 1 1 25 51 30 o 0.9404000      1.632000      ?             ?      
1 1 1 25 51 31 o -0.8367000     2.272000      ?             ?      
1 1 1 25 51 32 o -6.370000      4.396000      ?             ?      
1 1 1 25 51 33 o 2.361000       1.671000      ?             ?      
1 1 1 25 51 34 o -1.473000      1.651000      ?             ?      
1 1 1 25 51 35 o 0.1520000      1.692000      ?             ?      
1 1 1 25 51 36 o 1.135000       1.716000      ?             ?      
1 1 1 25 52 0  o -0.5730000     1.140000      ?             ?      
1 1 1 25 52 1  o 0.5602000      0.8087000     ?             ?      
1 1 1 25 52 2  o 4.293000       0.9077000     ?             ?      
1 1 1 25 52 3  o 0.5625000      0.8820000     ?             ?      
1 1 1 25 52 4  o 0.3081000E-01  0.8503000     ?             ?      
1 1 1 25 52 5  o 0.7814000      0.9248000     ?             ?      
1 1 1 25 52 6  o -0.3046000E-01 0.9199000     ?             ?      
1 1 1 25 52 7  o 0.4233000      1.337000      ?             ?      
1 1 1 25 52 8  o 0.8924000E-02  1.055000      ?             ?      
1 1 1 25 52 9  o 0.3608000      1.062000      ?             ?      
1 1 1 25 52 10 o 0.2309000      1.353000      ?             ?      
1 1 1 25 52 11 o 0.2110000      1.476000      ?             ?      
1 1 1 25 52 12 o 2.117000       1.995000      ?             ?      
1 1 1 25 52 13 o -2.210000      1.457000      ?             ?      
1 1 1 25 52 14 o -1.957000      1.438000      ?             ?      
1 1 1 25 52 15 o -0.1785000E-02 1.419000      ?             ?      
1 1 1 25 52 16 o -0.7298000     1.196000      ?             ?      
1 1 1 25 52 17 o -0.2341000     1.468000      ?             ?      
1 1 1 25 52 18 o 2.124000       1.520000      ?             ?      
1 1 1 25 52 19 o 1.866000       1.556000      ?             ?      
1 1 1 25 52 20 o -0.7309000     1.533000      ?             ?      
1 1 1 25 52 21 o -0.4648000     1.522000      ?             ?      
1 1 1 25 52 22 o 0.8640000      1.516000      ?             ?      
1 1 1 25 52 23 o -0.1952000E-01 1.523000      ?             ?      
1 1 1 25 52 24 o -1.897000      1.519000      ?             ?      
1 1 1 25 52 25 o -1.947000      2.063000      ?             ?      
1 1 1 25 52 26 o 0.9365000      1.055000      ?             ?      
1 1 1 25 52 27 o -0.3284000     1.616000      ?             ?      
1 1 1 25 52 28 o 2.353000       1.610000      ?             ?      
1 1 1 25 52 29 o -1.375000      1.616000      ?             ?      
1 1 1 25 52 30 o 0.9054000      2.347000      ?             ?      
1 1 1 25 52 31 o -1.489000      2.267000      ?             ?      
1 1 1 25 52 32 o -0.6266000     1.680000      ?             ?      
1 1 1 25 52 33 o -3.591000      1.692000      ?             ?      
1 1 1 25 52 34 o -0.9101000     1.674000      ?             ?      
1 1 1 25 53 0  o 0.7861000      1.149000      ?             ?      
1 1 1 25 53 1  o 0.4877000      0.8049000     ?             ?      
1 1 1 25 53 2  o -0.8877000E-01 0.8111000     ?             ?      
1 1 1 25 53 3  o -0.9426000     0.8200000     ?             ?      
1 1 1 25 53 4  o 0.2809000      0.8546000     ?             ?      
1 1 1 25 53 5  o -0.2517000     0.9158000     ?             ?      
1 1 1 25 53 6  o -1.487000      0.8753000     ?             ?      
1 1 1 25 53 7  o -0.1526000     1.080000      ?             ?      
1 1 1 25 53 8  o 1.748000       1.089000      ?             ?      
1 1 1 25 53 9  o 0.4420000      1.178000      ?             ?      
1 1 1 25 53 10 o 1.824000       1.885000      ?             ?      
1 1 1 25 53 11 o 0.6599000      1.932000      ?             ?      
1 1 1 25 53 12 o -3.208000      1.956000      ?             ?      
1 1 1 25 53 13 o 1.213000       1.460000      ?             ?      
1 1 1 25 53 14 o -0.2143000     1.214000      ?             ?      
1 1 1 25 53 15 o -0.6894000     1.197000      ?             ?      
1 1 1 25 53 16 o 0.4020000      1.512000      ?             ?      
1 1 1 25 53 17 o 0.7347000      2.112000      ?             ?      
1 1 1 25 53 18 o -0.9027000     2.128000      ?             ?      
1 1 1 25 53 19 o 1.337000       1.515000      ?             ?      
1 1 1 25 53 20 o -1.572000      1.518000      ?             ?      
1 1 1 25 53 21 o 0.6879000E-01  1.523000      ?             ?      
1 1 1 25 53 22 o 1.058000       1.543000      ?             ?      
1 1 1 25 53 23 o 1.129000       1.534000      ?             ?      
1 1 1 25 53 24 o 1.486000       1.605000      ?             ?      
1 1 1 25 53 25 o 0.1577000      2.133000      ?             ?      
1 1 1 25 53 26 o 5.062000       2.249000      ?             ?      
1 1 1 25 53 27 o -0.5491000     1.625000      ?             ?      
1 1 1 25 53 28 o 0.3917000      1.596000      ?             ?      
1 1 1 25 53 29 o -0.3795000     3.119000      ?             ?      
1 1 1 25 53 30 o 1.101000       2.343000      ?             ?      
1 1 1 25 53 31 o -2.684000      2.288000      ?             ?      
1 1 1 25 53 32 o -2.116000      3.163000      ?             ?      
1 1 1 25 54 0  o -1.141000      1.115000      ?             ?      
1 1 1 25 54 1  o -0.2286000E-01 0.7976000     ?             ?      
1 1 1 25 54 2  o 1.059000       0.8155000     ?             ?      
1 1 1 25 54 3  o 0.7987000      0.8388000     ?             ?      
1 1 1 25 54 4  o 0.1657000      0.9188000     ?             ?      
1 1 1 25 54 5  o 0.6160000      0.9163000     ?             ?      
1 1 1 25 54 6  o -0.4005000     0.9000000     ?             ?      
1 1 1 25 54 7  o -0.8063000     1.086000      ?             ?      
1 1 1 25 54 8  o -1.322000      1.073000      ?             ?      
1 1 1 25 54 9  o -0.4804000     1.096000      ?             ?      
1 1 1 25 54 10 o -0.5581000     1.405000      ?             ?      
1 1 1 25 54 11 o -0.2617000     1.488000      ?             ?      
1 1 1 25 54 12 o -3.603000      1.967000      ?             ?      
1 1 1 25 54 13 o 0.9887000      2.000000      ?             ?      
1 1 1 25 54 14 o 0.1832000      1.443000      ?             ?      
1 1 1 25 54 15 o 2.201000       1.498000      ?             ?      
1 1 1 25 54 16 o 1.198000       1.500000      ?             ?      
1 1 1 25 54 17 o -0.4593000     1.527000      ?             ?      
1 1 1 25 54 18 o 2.086000       1.527000      ?             ?      
1 1 1 25 54 19 o 1.429000       1.531000      ?             ?      
1 1 1 25 54 20 o -0.3068000     2.137000      ?             ?      
1 1 1 25 54 21 o 1.272000       2.202000      ?             ?      
1 1 1 25 54 22 o 1.082000       2.202000      ?             ?      
1 1 1 25 54 23 o 0.1641000      1.048000      ?             ?      
1 1 1 25 54 24 o 1.909000       2.196000      ?             ?      
1 1 1 25 54 25 o 0.8814000      2.184000      ?             ?      
1 1 1 25 54 26 o -0.2622000     1.632000      ?             ?      
1 1 1 25 54 27 o -0.4891000     1.657000      ?             ?      
1 1 1 25 54 28 o 2.740000       1.677000      ?             ?      
1 1 1 25 54 29 o 0.3587000      2.328000      ?             ?      
1 1 1 25 54 30 o 1.827000       2.273000      ?             ?      
1 1 1 25 55 0  o 0.1484000      1.111000      ?             ?      
1 1 1 25 55 1  o -0.2446000     0.7934000     ?             ?      
1 1 1 25 55 2  o 0.1275000E-01  0.9113000     ?             ?      
1 1 1 25 55 3  o -0.4536000     0.8249000     ?             ?      
1 1 1 25 55 4  o -1.666000      0.9000000     ?             ?      
1 1 1 25 55 5  o -1.057000      0.8802000     ?             ?      
1 1 1 25 55 6  o 1.124000       0.8389000     ?             ?      
1 1 1 25 55 7  o 0.4583000      1.106000      ?             ?      
1 1 1 25 55 8  o 0.4676000      1.080000      ?             ?      
1 1 1 25 55 9  o -1.461000      1.075000      ?             ?      
1 1 1 25 55 10 o 0.5171000      1.383000      ?             ?      
1 1 1 25 55 11 o 0.1386000      2.007000      ?             ?      
1 1 1 25 55 12 o -1.076000      1.983000      ?             ?      
1 1 1 25 55 13 o 0.1518000E-01  1.265000      ?             ?      
1 1 1 25 55 14 o 0.5780000      1.243000      ?             ?      
1 1 1 25 55 15 o 1.454000       1.261000      ?             ?      
1 1 1 25 55 16 o 0.2860000      1.512000      ?             ?      
1 1 1 25 55 17 o -1.118000      1.963000      ?             ?      
1 1 1 25 55 18 o 0.7645000      2.030000      ?             ?      
1 1 1 25 55 19 o -0.1802000     1.534000      ?             ?      
1 1 1 25 55 20 o 2.985000       1.555000      ?             ?      
1 1 1 25 55 21 o 1.587000       1.571000      ?             ?      
1 1 1 25 55 22 o -0.5225000     1.574000      ?             ?      
1 1 1 25 55 23 o -0.5084000     1.621000      ?             ?      
1 1 1 25 55 24 o 1.732000       1.070000      ?             ?      
1 1 1 25 55 25 o 1.782000       1.153000      ?             ?      
1 1 1 25 55 26 o 0.9645000      2.244000      ?             ?      
1 1 1 25 55 27 o -2.355000      4.304000      ?             ?      
1 1 1 25 55 28 o -8.470000      3.133000      ?             ?      
1 1 1 25 56 0  o -0.3536000     1.106000      ?             ?      
1 1 1 25 56 1  o -0.2875000     0.8090000     ?             ?      
1 1 1 25 56 2  o 1.766000       0.9485000     ?             ?      
1 1 1 25 56 3  o 0.1210000      0.9081000     ?             ?      
1 1 1 25 56 4  o 2.723000       1.107000      ?             ?      
1 1 1 25 56 5  o -1.227000      0.8883000     ?             ?      
1 1 1 25 56 6  o 0.1300000      0.8561000     ?             ?      
1 1 1 25 56 7  o -1.252000      1.054000      ?             ?      
1 1 1 25 56 8  o 2.195000       1.114000      ?             ?      
1 1 1 25 56 9  o 0.3685000      1.091000      ?             ?      
1 1 1 25 56 10 o -1.245000      1.264000      ?             ?      
1 1 1 25 56 11 o 1.267000       1.990000      ?             ?      
1 1 1 25 56 12 o 0.8130000      2.038000      ?             ?      
1 1 1 25 56 13 o 0.3651000      1.261000      ?             ?      
1 1 1 25 56 14 o -0.4213000     1.231000      ?             ?      
1 1 1 25 56 15 o -1.276000      1.248000      ?             ?      
1 1 1 25 56 16 o 0.2915000      1.499000      ?             ?      
1 1 1 25 56 17 o -1.102000      1.533000      ?             ?      
1 1 1 25 56 18 o 1.513000       1.519000      ?             ?      
1 1 1 25 56 19 o -0.8566000     1.521000      ?             ?      
1 1 1 25 56 20 o 0.8074000      1.598000      ?             ?      
1 1 1 25 56 21 o -1.363000      2.136000      ?             ?      
1 1 1 25 56 22 o -0.7506000     2.103000      ?             ?      
1 1 1 25 56 23 o 1.266000       2.172000      ?             ?      
1 1 1 25 56 24 o -1.071000      2.192000      ?             ?      
1 1 1 25 56 25 o 1.576000       1.670000      ?             ?      
1 1 1 25 57 0  o -2.290000      1.118000      ?             ?      
1 1 1 25 57 1  o -0.5525000     0.8372000     ?             ?      
1 1 1 25 57 2  o -0.6529000     0.8738000     ?             ?      
1 1 1 25 57 3  o 0.4038000      0.9012000     ?             ?      
1 1 1 25 57 4  o -0.2833000     0.8858000     ?             ?      
1 1 1 25 57 5  o -1.436000      0.8164000     ?             ?      
1 1 1 25 57 6  o -0.7407000     0.8411000     ?             ?      
1 1 1 25 57 7  o -1.674000      1.048000      ?             ?      
1 1 1 25 57 8  o 0.1823000      1.103000      ?             ?      
1 1 1 25 57 9  o -1.644000      1.122000      ?             ?      
1 1 1 25 57 10 o -2.688000      1.629000      ?             ?      
1 1 1 25 57 11 o 0.1071000      2.068000      ?             ?      
1 1 1 25 57 12 o 4.770000       2.161000      ?             ?      
1 1 1 25 57 13 o 0.7841000      1.268000      ?             ?      
1 1 1 25 57 14 f -0.4937000     1.225000      ?             ?      
1 1 1 25 57 15 o 0.6040000      1.239000      ?             ?      
1 1 1 25 57 16 o 0.9610000      1.501000      ?             ?      
1 1 1 25 57 17 o -0.6321000E-03 1.530000      ?             ?      
1 1 1 25 57 18 o 0.5873000      1.554000      ?             ?      
1 1 1 25 57 19 o 0.4257000      1.566000      ?             ?      
1 1 1 25 57 20 o -0.9862000     1.590000      ?             ?      
1 1 1 25 57 21 o -0.1231000     3.048000      ?             ?      
1 1 1 25 57 22 o -1.121000      2.213000      ?             ?      
1 1 1 25 58 0  o -0.7349000     1.140000      ?             ?      
1 1 1 25 58 1  o 1.091000       0.8584000     ?             ?      
1 1 1 25 58 2  o -0.5718000     0.9335000     ?             ?      
1 1 1 25 58 3  o 0.3917000      0.9058000     ?             ?      
1 1 1 25 58 4  o -0.1440000     0.8903000     ?             ?      
1 1 1 25 58 5  o -0.6365000E-01 0.8187000     ?             ?      
1 1 1 25 58 6  o 0.8547000      0.8506000     ?             ?      
1 1 1 25 58 7  o 0.3553000      0.9644000     ?             ?      
1 1 1 25 58 8  o 0.1941000      1.112000      ?             ?      
1 1 1 25 58 9  o -1.600000      1.136000      ?             ?      
1 1 1 25 58 10 o -0.8284000     1.718000      ?             ?      
1 1 1 25 58 11 o -2.178000      1.155000      ?             ?      
1 1 1 25 58 12 o 1.170000       1.320000      ?             ?      
1 1 1 25 58 13 o 0.7658000      1.273000      ?             ?      
1 1 1 25 58 14 o 0.7862000      1.237000      ?             ?      
1 1 1 25 58 15 f 0.2732000      1.249000      ?             ?      
1 1 1 25 58 16 o 0.4027000      1.535000      ?             ?      
1 1 1 25 58 17 o -1.146000      0.9910000     ?             ?      
1 1 1 25 58 18 o 2.772000       1.591000      ?             ?      
1 1 1 25 59 0  o -0.7367000     1.205000      ?             ?      
1 1 1 25 59 1  o -0.3692000     0.8597000     ?             ?      
1 1 1 25 59 2  o -0.4174000     0.9265000     ?             ?      
1 1 1 25 59 3  o -0.7029000     0.8970000     ?             ?      
1 1 1 25 59 4  o -0.7376000     0.8252000     ?             ?      
1 1 1 25 59 5  o -1.102000      0.8225000     ?             ?      
1 1 1 25 59 6  o 0.4377000      1.076000      ?             ?      
1 1 1 25 59 7  o -0.9332000     1.068000      ?             ?      
1 1 1 25 59 8  o 0.2275000      1.141000      ?             ?      
1 1 1 25 59 9  o 0.1195000      1.258000      ?             ?      
1 1 1 25 59 10 o -0.4960000     2.133000      ?             ?      
1 1 1 25 59 11 o 1.044000       1.152000      ?             ?      
1 1 1 25 59 12 o -1.338000      1.524000      ?             ?      
1 1 1 25 59 13 o 0.6052000      1.491000      ?             ?      
1 1 1 25 60 0  o -0.3522000     1.270000      ?             ?      
1 1 1 25 60 1  o 0.2981000      0.9958000     ?             ?      
1 1 1 25 60 2  o 1.196000       1.000000      ?             ?      
1 1 1 25 60 3  o 1.670000       0.9748000     ?             ?      
1 1 1 25 60 4  o -0.1723000     0.8695000     ?             ?      
1 1 1 25 60 5  o -0.2855000     1.356000      ?             ?      
1 1 1 25 60 6  < 0.000000       -1.000000     ?             ?      
1 1 1 26 0  0  o 169.3000       7.477000      1053.092      -0.0   
1 1 1 26 0  1  o 120.1000       4.011000      1567.768      90.0   
1 1 1 26 0  2  o 68.13000       3.116000      993.9929      -0.0   
1 1 1 26 0  3  o 89.61000       2.918000      1299.570      -90.0  
1 1 1 26 0  4  o 10.54000       1.901000      318.8401      180.0  
1 1 1 26 0  5  o 12.60000       2.270000      384.6668      -90.0  
1 1 1 26 0  6  o 105.8000       4.960000      1780.583      0.0    
1 1 1 26 0  7  o 11.49000       1.586000      469.7667      -90.0  
1 1 1 26 0  8  o 37.76000       1.990000      1335.718      0.0    
1 1 1 26 0  9  o 56.88000       2.282000      938.9480      -90.0  
1 1 1 26 0  10 o 66.69000       4.812000      925.7651      0.0    
1 1 1 26 0  11 o 289.8000       8.532000      1904.549      -90.0  
1 1 1 26 0  12 o 23.93000       1.720000      404.7160      0.0    
1 1 1 26 0  13 o 3.133000       1.479000      217.8401      -90.0  
1 1 1 26 0  14 o 47.39000       2.389000      1070.388      0.0    
1 1 1 26 0  15 o 3.321000       1.497000      70.25494      -90.0  
1 1 1 26 0  16 o 65.43000       2.737000      725.9689      180.0  
1 1 1 26 0  17 o 16.92000       1.587000      437.1556      -90.0  
1 1 1 26 0  18 o 15.76000       1.553000      253.7332      180.0  
1 1 1 26 0  19 o 0.2803000      1.422000      147.6655      -90.0  
1 1 1 26 0  20 o 18.40000       1.678000      876.7096      -180.0 
1 1 1 26 0  21 f 29.43000       1.765000      788.0032      90.0   
1 1 1 26 0  22 o 108.2000       4.205000      1556.104      -0.0   
1 1 1 26 0  23 o 23.40000       1.862000      1068.615      -90.0  
1 1 1 26 0  24 o -2.422000      1.533000      0.1338237     0.0    
1 1 1 26 0  25 o 10.07000       1.573000      139.0061      90.0   
1 1 1 26 0  26 o 5.391000       1.523000      362.9190      -180.0 
1 1 1 26 0  27 o -0.6569000E-01 1.468000      186.5092      90.0   
1 1 1 26 0  28 o 11.18000       1.560000      720.1504      180.0  
1 1 1 26 0  29 o 4.192000       1.480000      19.03027      90.0   
1 1 1 26 0  30 o 6.812000       1.547000      359.9754      -180.0 
1 1 1 26 0  31 o 26.43000       1.851000      867.4257      -90.0  
1 1 1 26 0  32 o 7.591000       1.801000      246.4608      0.0    
1 1 1 26 0  33 o 24.24000       2.612000      738.9603      -90.0  
1 1 1 26 0  34 o 0.5517000      2.194000      14.91680      180.0  
1 1 1 26 0  35 o 19.83000       3.717000      638.0338      -90.0  
1 1 1 26 0  36 o 20.48000       2.195000      484.3511      180.0  
1 1 1 26 0  37 o 13.51000       1.792000      748.0082      90.0   
1 1 1 26 0  38 o 15.12000       1.821000      471.3741      -180.0 
1 1 1 26 0  39 o 10.22000       2.044000      619.5985      -90.0  
1 1 1 26 0  40 o -1.531000      1.975000      89.51662      0.0    
1 1 1 26 0  41 o 4.394000       1.782000      156.7639      -90.0  
1 1 1 26 0  42 o 15.88000       2.321000      411.1185      180.0  
1 1 1 26 0  43 o 29.58000       2.286000      699.2145      -90.0  
1 1 1 26 0  44 o 0.5845000      1.913000      99.18539      -180.0 
1 1 1 26 0  45 o 7.936000       1.967000      368.5443      90.0   
1 1 1 26 0  46 o 13.60000       2.062000      430.7311      0.0    
1 1 1 26 0  47 o 0.6789000      1.947000      235.3884      -90.0  
1 1 1 26 0  48 o 2.907000       2.264000      186.8202      -0.0   
1 1 1 26 0  49 o 2.823000       2.260000      115.2297      -90.0  
1 1 1 26 0  50 o 1.030000       1.997000      349.5765      -180.0 
1 1 1 26 0  51 o 7.090000       2.400000      ?             ?      
1 1 1 26 0  52 o 3.035000       2.254000      ?             ?      
1 1 1 26 0  53 o 1.613000       2.693000      ?             ?      
1 1 1 26 0  54 o 1.504000       2.417000      ?             ?      
1 1 1 26 0  55 o 9.492000       2.618000      ?             ?      
1 1 1 26 0  56 o 1.855000       2.064000      ?             ?      
1 1 1 26 0  57 o 12.91000       1.931000      ?             ?      
1 1 1 26 0  58 o -0.5431000     1.772000      ?             ?      
1 1 1 26 0  59 o 9.798000       1.882000      ?             ?      
1 1 1 26 0  60 o 3.468000       1.828000      ?             ?      
1 1 1 26 0  61 o -2.287000      1.758000      ?             ?      
1 1 1 26 0  62 o -1.121000      1.767000      ?             ?      
1 1 1 26 0  63 o 0.2507000E-01  1.787000      ?             ?      
1 1 1 26 0  64 o -2.669000      1.788000      ?             ?      
1 1 1 26 0  65 o 4.355000       1.876000      ?             ?      
1 1 1 26 0  66 o 0.7650000      1.862000      ?             ?      
1 1 1 26 0  67 o 6.163000       1.961000      ?             ?      
1 1 1 26 0  68 o 5.065000       2.374000      ?             ?      
1 1 1 26 1  0  o 7.090000       1.718000      400.8258      0.0    
1 1 1 26 1  1  o 73.66000       2.088000      1220.570      10.0   
1 1 1 26 1  2  o 79.61000       2.482000      1515.893      -33.2  
1 1 1 26 1  3  o 24.47000       1.495000      950.5702      -134.6 
1 1 1 26 1  4  o 5.168000       1.125000      484.0433      176.7  
1 1 1 26 1  5  o 1.934000       1.155000      261.4012      42.0   
1 1 1 26 1  6  o 19.04000       1.662000      652.3430      52.8   
1 1 1 26 1  7  o 20.60000       1.195000      653.3391      172.1  
1 1 1 26 1  8  o 28.50000       1.276000      682.4479      -47.1  
1 1 1 26 1  9  o 28.70000       1.261000      1111.873      73.7   
1 1 1 26 1  10 o 27.90000       1.419000      606.9955      -4.3   
1 1 1 26 1  11 o 15.07000       1.152000      405.8242      155.8  
1 1 1 26 1  12 o 22.20000       1.293000      757.6597      30.8   
1 1 1 26 1  13 o 2.386000       1.036000      297.1097      127.8  
1 1 1 26 1  14 o 11.93000       1.091000      256.3595      40.9   
1 1 1 26 1  15 o 95.28000       2.164000      1535.126      177.9  
1 1 1 26 1  16 o 35.67000       1.334000      792.7617      -103.4 
1 1 1 26 1  17 o 4.556000       1.047000      232.0451      -147.9 
1 1 1 26 1  18 o 20.55000       1.141000      548.2666      -30.7  
1 1 1 26 1  19 o 76.37000       1.880000      1206.001      -137.6 
1 1 1 26 1  20 o 59.58000       1.715000      1207.992      84.8   
1 1 1 26 1  21 o 15.15000       1.119000      407.3678      -37.5  
1 1 1 26 1  22 o 0.3266000      1.074000      136.8585      140.7  
1 1 1 26 1  23 o 107.3000       2.758000      1268.304      137.8  
1 1 1 26 1  24 o 15.88000       1.182000      623.4719      44.2   
1 1 1 26 1  25 o 27.45000       1.380000      811.6766      -98.6  
1 1 1 26 1  26 o 5.566000       1.073000      327.5729      -159.3 
1 1 1 26 1  27 o 32.27000       1.343000      906.5233      -138.1 
1 1 1 26 1  28 o 6.676000       1.066000      385.6120      126.0  
1 1 1 26 1  29 o 2.481000       1.046000      300.9348      -22.4  
1 1 1 26 1  30 o 7.307000       1.094000      338.4780      -74.2  
1 1 1 26 1  31 o 39.47000       1.588000      943.1583      4.7    
1 1 1 26 1  32 o 13.84000       1.352000      515.0881      175.2  
1 1 1 26 1  33 o 11.69000       1.825000      531.7349      90.9   
1 1 1 26 1  34 o 8.692000       1.893000      333.0494      57.1   
1 1 1 26 1  35 o 13.35000       1.944000      562.2070      -135.9 
1 1 1 26 1  36 o 3.691000       1.395000      296.8181      -75.6  
1 1 1 26 1  37 o 4.234000       1.288000      220.6031      -156.1 
1 1 1 26 1  38 o 7.782000       1.218000      348.0658      37.7   
1 1 1 26 1  39 o 2.620000       1.286000      191.1683      127.9  
1 1 1 26 1  40 o 11.66000       1.381000      370.6998      -32.9  
1 1 1 26 1  41 o 9.193000       1.397000      251.4491      -11.3  
1 1 1 26 1  42 o 10.19000       1.473000      375.5504      -54.9  
1 1 1 26 1  43 o 2.847000       1.364000      243.3855      -51.0  
1 1 1 26 1  44 o 0.2473000      1.451000      189.2774      -89.7  
1 1 1 26 1  45 o 0.3200000      1.448000      87.79008      169.9  
1 1 1 26 1  46 o 1.674000       1.487000      219.6736      -21.8  
1 1 1 26 1  47 o 5.457000       1.528000      345.2014      51.2   
1 1 1 26 1  48 o 0.8075000      1.531000      180.9811      -9.0   
1 1 1 26 1  49 o 2.860000       1.536000      139.1583      108.1  
1 1 1 26 1  50 o 4.638000       1.422000      312.4654      154.8  
1 1 1 26 1  51 o 3.955000       1.515000      ?             ?      
1 1 1 26 1  52 o 15.74000       1.619000      ?             ?      
1 1 1 26 1  53 o 1.867000       2.124000      ?             ?      
1 1 1 26 1  54 o 0.6050000      2.249000      ?             ?      
1 1 1 26 1  55 o 2.831000       1.860000      ?             ?      
1 1 1 26 1  56 o 0.7421000      1.385000      ?             ?      
1 1 1 26 1  57 o 1.990000       1.288000      ?             ?      
1 1 1 26 1  58 o 2.339000       1.279000      ?             ?      
1 1 1 26 1  59 o 3.378000       1.289000      ?             ?      
1 1 1 26 1  60 o 7.911000       1.337000      ?             ?      
1 1 1 26 1  61 o 6.799000       1.316000      ?             ?      
1 1 1 26 1  62 o 3.672000       1.291000      ?             ?      
1 1 1 26 1  63 o 0.2476000      1.279000      ?             ?      
1 1 1 26 1  64 o -1.163000      1.277000      ?             ?      
1 1 1 26 1  65 o 2.532000       1.319000      ?             ?      
1 1 1 26 1  66 o 4.356000       1.344000      ?             ?      
1 1 1 26 1  67 o 2.609000       1.354000      ?             ?      
1 1 1 26 1  68 f 0.3138000      1.624000      ?             ?      
1 1 1 26 2  0  o 6.296000       1.606000      64.02811      -180.0 
1 1 1 26 2  1  o 94.07000       2.566000      1335.717      49.4   
1 1 1 26 2  2  o 86.42000       2.531000      1236.206      -24.1  
1 1 1 26 2  3  o 94.11000       2.565000      1560.368      -33.4  
1 1 1 26 2  4  o 20.14000       1.384000      781.2602      173.5  
1 1 1 26 2  5  o 24.56000       1.410000      907.1636      -105.3 
1 1 1 26 2  6  o 49.52000       2.437000      823.6625      -48.3  
1 1 1 26 2  7  o 58.58000       2.989000      739.2678      63.6   
1 1 1 26 2  8  o 7.070000       1.085000      639.4482      91.4   
1 1 1 26 2  9  o 13.44000       1.132000      431.8987      34.8   
1 1 1 26 2  10 o 11.19000       1.096000      291.9771      -92.8  
1 1 1 26 2  11 o 4.057000       1.049000      184.5587      -92.2  
1 1 1 26 2  12 o 23.06000       1.188000      481.9231      8.7    
1 1 1 26 2  13 o 16.19000       1.120000      574.0158      73.3   
1 1 1 26 2  14 o 24.89000       1.335000      604.7603      -114.7 
1 1 1 26 2  15 o 47.86000       1.504000      933.3439      -145.9 
1 1 1 26 2  16 o 6.978000       1.084000      526.2748      46.6   
1 1 1 26 2  17 o 26.76000       1.231000      746.0917      -42.1  
1 1 1 26 2  18 o 5.531000       1.068000      416.1191      125.0  
1 1 1 26 2  19 o 32.01000       1.285000      799.6946      112.4  
1 1 1 26 2  20 o 18.38000       1.114000      524.3583      90.4   
1 1 1 26 2  21 o -1.214000      1.015000      240.7009      18.5   
1 1 1 26 2  22 o 50.58000       1.691000      1109.022      -27.9  
1 1 1 26 2  23 o 64.14000       1.845000      1184.586      -49.9  
1 1 1 26 2  24 o 3.514000       1.076000      224.2068      -56.8  
1 1 1 26 2  25 o 6.292000       1.097000      507.6813      -124.6 
1 1 1 26 2  26 o 6.011000       1.076000      314.3780      -89.1  
1 1 1 26 2  27 o 10.57000       1.109000      389.9961      112.3  
1 1 1 26 2  28 o 10.30000       1.110000      491.8825      85.5   
1 1 1 26 2  29 o 29.13000       1.321000      682.6445      -140.8 
1 1 1 26 2  30 o 10.18000       1.120000      459.8719      119.0  
1 1 1 26 2  31 o 4.755000       1.168000      277.0070      -57.6  
1 1 1 26 2  32 o 1.367000       1.290000      225.7641      44.7   
1 1 1 26 2  33 o 62.80000       2.885000      1065.488      -77.3  
1 1 1 26 2  34 o 0.3438000E-01  2.316000      168.6320      144.1  
1 1 1 26 2  35 o -2.434000      1.878000      91.32208      -135.9 
1 1 1 26 2  36 o 9.566000       1.426000      651.8905      119.6  
1 1 1 26 2  37 o 1.597000       1.357000      172.7769      -108.5 
1 1 1 26 2  38 o 20.13000       1.367000      685.4960      -93.1  
1 1 1 26 2  39 o 3.298000       1.209000      260.1118      73.6   
1 1 1 26 2  40 o 15.11000       1.330000      629.1139      116.3  
1 1 1 26 2  41 o 9.676000       1.322000      430.5648      -102.1 
1 1 1 26 2  42 o 1.978000       1.305000      206.2571      -144.0 
1 1 1 26 2  43 o 2.782000       1.368000      397.7162      25.1   
1 1 1 26 2  44 o 13.99000       1.748000      476.5916      99.7   
1 1 1 26 2  45 o -0.4172000     1.362000      135.4082      -149.6 
1 1 1 26 2  46 o 6.492000       1.708000      284.7724      63.1   
1 1 1 26 2  47 o 14.44000       1.846000      460.9423      174.6  
1 1 1 26 2  48 f 13.71000       1.492000      523.1717      23.8   
1 1 1 26 2  49 o 5.069000       1.424000      309.9000      98.4   
1 1 1 26 2  50 o 7.360000       1.429000      285.0403      -120.6 
1 1 1 26 2  51 o 7.375000       1.555000      ?             ?      
1 1 1 26 2  52 o -1.117000      1.480000      ?             ?      
1 1 1 26 2  53 o 10.74000       2.114000      ?             ?      
1 1 1 26 2  54 o -3.458000      2.143000      ?             ?      
1 1 1 26 2  55 o 1.933000       1.801000      ?             ?      
1 1 1 26 2  56 o 6.118000       1.714000      ?             ?      
1 1 1 26 2  57 o 3.207000       1.376000      ?             ?      
1 1 1 26 2  58 o 0.6607000E-01  1.264000      ?             ?      
1 1 1 26 2  59 o 2.788000       1.282000      ?             ?      
1 1 1 26 2  60 o 1.102000       1.272000      ?             ?      
1 1 1 26 2  61 o 1.695000       1.279000      ?             ?      
1 1 1 26 2  62 o 5.156000       1.304000      ?             ?      
1 1 1 26 2  63 o -0.3997000     1.269000      ?             ?      
1 1 1 26 2  64 o 0.7102000      1.276000      ?             ?      
1 1 1 26 2  65 o 3.697000       1.324000      ?             ?      
1 1 1 26 2  66 o 1.091000       1.335000      ?             ?      
1 1 1 26 2  67 o 0.2119000      1.473000      ?             ?      
1 1 1 26 2  68 o -3.377000      2.120000      ?             ?      
1 1 1 26 3  0  o 16.09000       1.725000      238.5189      0.0    
1 1 1 26 3  1  o 30.46000       1.341000      691.7043      -25.3  
1 1 1 26 3  2  o 57.82000       1.757000      981.7556      37.9   
1 1 1 26 3  3  o 101.6000       2.421000      1591.647      -116.6 
1 1 1 26 3  4  o 30.09000       1.873000      1020.425      -15.0  
1 1 1 26 3  5  o 2.392000       1.149000      360.7206      -41.8  
1 1 1 26 3  6  o 4.228000       1.122000      357.2786      -8.6   
1 1 1 26 3  7  o 13.66000       1.225000      680.6543      164.8  
1 1 1 26 3  8  o 6.231000       1.212000      261.1499      176.0  
1 1 1 26 3  9  o 19.80000       1.184000      503.3041      74.6   
1 1 1 26 3  10 o 3.521000       1.080000      223.6531      -44.5  
1 1 1 26 3  11 o 46.35000       1.593000      795.3990      -83.4  
1 1 1 26 3  12 o 19.31000       1.160000      608.9815      178.7  
1 1 1 26 3  13 o 32.00000       1.297000      704.4957      -82.3  
1 1 1 26 3  14 o 23.61000       1.219000      568.3157      178.1  
1 1 1 26 3  15 o 70.23000       1.798000      1196.233      -119.0 
1 1 1 26 3  16 o 32.27000       1.297000      797.5057      -39.6  
1 1 1 26 3  17 o 71.75000       1.825000      1178.367      164.7  
1 1 1 26 3  18 o 42.76000       1.616000      970.4130      -86.9  
1 1 1 26 3  19 o 15.49000       1.155000      689.7596      -107.7 
1 1 1 26 3  20 o 16.59000       1.118000      546.0098      29.1   
1 1 1 26 3  21 o 5.127000       1.030000      211.1807      80.9   
1 1 1 26 3  22 o 51.18000       1.581000      1023.966      42.9   
1 1 1 26 3  23 o 21.82000       1.310000      416.2283      174.1  
1 1 1 26 3  24 o 15.52000       1.166000      312.3066      -53.5  
1 1 1 26 3  25 o 39.99000       1.562000      700.9910      -96.1  
1 1 1 26 3  26 o 3.238000       1.062000      278.3516      -117.8 
1 1 1 26 3  27 o 39.72000       1.453000      798.6760      -127.1 
1 1 1 26 3  28 o 20.23000       1.222000      734.2039      159.9  
1 1 1 26 3  29 o 2.072000       1.091000      210.1519      178.2  
1 1 1 26 3  30 o 20.16000       1.239000      701.0909      -127.7 
1 1 1 26 3  31 o 1.028000       1.258000      81.29021      -75.1  
1 1 1 26 3  32 o 7.633000       1.848000      406.4411      93.3   
1 1 1 26 3  33 o 15.10000       2.002000      532.0266      32.2   
1 1 1 26 3  34 o 7.066000       1.969000      369.1453      -73.7  
1 1 1 26 3  35 o 27.74000       2.219000      913.7134      -123.0 
1 1 1 26 3  36 o 10.16000       1.491000      532.0413      -26.4  
1 1 1 26 3  37 o 4.836000       1.300000      355.4717      84.5   
1 1 1 26 3  38 o 2.547000       1.273000      165.3077      8.3    
1 1 1 26 3  39 o 10.45000       1.248000      495.6940      -72.3  
1 1 1 26 3  40 o 18.69000       1.372000      470.4036      -59.3  
1 1 1 26 3  41 o 2.404000       1.390000      158.1622      -102.3 
1 1 1 26 3  42 o 14.45000       1.506000      537.3652      -41.6  
1 1 1 26 3  43 o 7.248000       1.384000      522.2781      -106.5 
1 1 1 26 3  44 o 0.4654000      1.431000      257.5442      71.9   
1 1 1 26 3  45 o 1.223000       1.346000      87.64635      -34.0  
1 1 1 26 3  46 o 7.276000       1.517000      294.7934      -141.9 
1 1 1 26 3  47 o 21.39000       1.670000      768.4359      108.0  
1 1 1 26 3  48 o -0.3291000     1.513000      115.8690      -53.3  
1 1 1 26 3  49 o 1.191000       1.483000      138.8912      70.1   
1 1 1 26 3  50 o -0.9615000     1.400000      74.73840      120.5  
1 1 1 26 3  51 o 15.34000       1.622000      ?             ?      
1 1 1 26 3  52 o 3.192000       1.564000      ?             ?      
1 1 1 26 3  53 o 2.590000       1.996000      ?             ?      
1 1 1 26 3  54 o -0.4524000     1.504000      ?             ?      
1 1 1 26 3  55 o 0.6914000      1.574000      ?             ?      
1 1 1 26 3  56 o -1.417000      1.431000      ?             ?      
1 1 1 26 3  57 o 1.315000       1.386000      ?             ?      
1 1 1 26 3  58 o 0.1317000      1.409000      ?             ?      
1 1 1 26 3  59 o 0.5522000      1.278000      ?             ?      
1 1 1 26 3  60 o 9.633000       1.344000      ?             ?      
1 1 1 26 3  61 o 2.694000       1.267000      ?             ?      
1 1 1 26 3  62 o 1.811000       1.270000      ?             ?      
1 1 1 26 3  63 o 0.5483000E-01  1.273000      ?             ?      
1 1 1 26 3  64 o -1.055000      1.271000      ?             ?      
1 1 1 26 3  65 o 0.7843000      1.293000      ?             ?      
1 1 1 26 3  66 o 0.3509000      1.304000      ?             ?      
1 1 1 26 3  67 o 3.519000       1.474000      ?             ?      
1 1 1 26 3  68 o 1.782000       1.554000      ?             ?      
1 1 1 26 4  0  o 9.543000       1.609000      438.3352      180.0  
1 1 1 26 4  1  o 23.53000       1.252000      693.0926      52.3   
1 1 1 26 4  2  o 43.54000       1.831000      1149.998      -28.1  
1 1 1 26 4  3  o 67.38000       1.882000      1497.449      -50.0  
1 1 1 26 4  4  o 23.18000       1.510000      762.1340      136.3  
1 1 1 26 4  5  o 30.45000       1.399000      465.1316      171.7  
1 1 1 26 4  6  o 6.198000       1.155000      175.1250      146.5  
1 1 1 26 4  7  o 6.389000       1.132000      387.8462      -38.6  
1 1 1 26 4  8  o 62.58000       2.261000      1125.832      137.1  
1 1 1 26 4  9  o 40.67000       1.443000      1066.604      -8.9   
1 1 1 26 4  10 o 40.50000       1.487000      831.4587      -7.6   
1 1 1 26 4  11 o 4.548000       1.088000      149.1949      -177.8 
1 1 1 26 4  12 o 32.58000       1.318000      812.6397      11.2   
1 1 1 26 4  13 o 12.08000       1.117000      256.1888      -134.1 
1 1 1 26 4  14 o 18.75000       1.178000      577.8016      69.1   
1 1 1 26 4  15 o 4.759000       1.076000      496.8318      -76.5  
1 1 1 26 4  16 o 32.76000       1.309000      883.1846      17.1   
1 1 1 26 4  17 o 14.72000       1.219000      509.5890      71.2   
1 1 1 26 4  18 o 7.598000       1.085000      479.7561      64.0   
1 1 1 26 4  19 o 22.83000       1.171000      613.0904      4.1    
1 1 1 26 4  20 o 34.81000       1.324000      862.3992      91.3   
1 1 1 26 4  21 o 2.324000       1.013000      168.5445      -28.5  
1 1 1 26 4  22 o 33.35000       1.340000      652.5387      -40.7  
1 1 1 26 4  23 o 7.429000       1.088000      395.8675      -26.6  
1 1 1 26 4  24 o 5.623000       1.081000      345.8943      -34.3  
1 1 1 26 4  25 o 23.50000       1.259000      775.9422      167.6  
1 1 1 26 4  26 o 16.02000       1.151000      487.0847      11.8   
1 1 1 26 4  27 o 9.482000       1.128000      380.4152      -34.3  
1 1 1 26 4  28 o 22.90000       1.287000      784.9247      -25.7  
1 1 1 26 4  29 o 19.86000       1.350000      790.2032      -113.5 
1 1 1 26 4  30 o 2.668000       1.252000      355.9555      119.0  
1 1 1 26 4  31 o -1.495000      1.201000      131.9097      -44.3  
1 1 1 26 4  32 o 18.48000       1.709000      550.0103      -39.6  
1 1 1 26 4  33 o 22.44000       2.182000      797.8175      -129.0 
1 1 1 26 4  34 o -0.4321000     1.302000      186.4652      70.7   
1 1 1 26 4  35 o -0.2997000     1.314000      187.6902      -72.6  
1 1 1 26 4  36 o -0.6452000     1.408000      180.5564      -162.3 
1 1 1 26 4  37 o 4.225000       1.374000      180.9534      -94.9  
1 1 1 26 4  38 o 5.991000       1.312000      488.6409      -76.6  
1 1 1 26 4  39 o 3.357000       1.338000      378.6214      87.7   
1 1 1 26 4  40 o 3.171000       1.261000      162.0718      -126.6 
1 1 1 26 4  41 o 12.89000       1.433000      538.1041      -35.7  
1 1 1 26 4  42 o 5.637000       1.418000      304.1567      51.4   
1 1 1 26 4  43 o 2.029000       1.328000      247.5826      51.3   
1 1 1 26 4  44 o 3.615000       1.333000      427.5601      -41.7  
1 1 1 26 4  45 o 2.499000       1.338000      342.3476      -127.9 
1 1 1 26 4  46 o 2.847000       1.370000      293.4829      97.1   
1 1 1 26 4  47 o 0.7847000      1.390000      131.5282      84.4   
1 1 1 26 4  48 o 1.509000       1.466000      295.9079      116.5  
1 1 1 26 4  49 o 1.882000       1.439000      110.1370      76.9   
1 1 1 26 4  50 o 1.465000       1.393000      347.2635      -70.2  
1 1 1 26 4  51 o 2.150000       1.543000      ?             ?      
1 1 1 26 4  52 o 2.044000       1.533000      ?             ?      
1 1 1 26 4  53 o 1.752000       1.586000      ?             ?      
1 1 1 26 4  54 o 0.2742000E-01  1.492000      ?             ?      
1 1 1 26 4  55 o 0.6989000      1.373000      ?             ?      
1 1 1 26 4  56 o -1.699000      1.475000      ?             ?      
1 1 1 26 4  57 o 1.287000       1.445000      ?             ?      
1 1 1 26 4  58 o 0.6065000      1.756000      ?             ?      
1 1 1 26 4  59 o -0.8817000     1.234000      ?             ?      
1 1 1 26 4  60 o 3.838000       1.408000      ?             ?      
1 1 1 26 4  61 o 6.680000       1.447000      ?             ?      
1 1 1 26 4  62 o 0.6050000      1.265000      ?             ?      
1 1 1 26 4  63 o 1.704000       1.262000      ?             ?      
1 1 1 26 4  64 o 0.9770000E-01  1.261000      ?             ?      
1 1 1 26 4  65 o -0.1794000E-01 1.258000      ?             ?      
1 1 1 26 4  66 o 0.2321000      1.411000      ?             ?      
1 1 1 26 4  67 o -0.8413000     1.440000      ?             ?      
1 1 1 26 4  68 o 0.4407000      2.370000      ?             ?      
1 1 1 26 5  0  o 0.6855000      1.594000      145.9978      0.0    
1 1 1 26 5  1  o 7.073000       1.164000      535.2827      -118.2 
1 1 1 26 5  2  o 10.44000       1.340000      190.1474      -9.9   
1 1 1 26 5  3  o 19.11000       1.334000      774.3927      -96.4  
1 1 1 26 5  4  o 7.711000       1.177000      230.2158      -75.0  
1 1 1 26 5  5  o 69.40000       1.874000      1336.365      -151.3 
1 1 1 26 5  6  o 20.34000       1.258000      422.7086      -7.7   
1 1 1 26 5  7  o 2.974000       1.121000      188.3738      -156.8 
1 1 1 26 5  8  o 18.19000       1.280000      478.8381      -57.5  
1 1 1 26 5  9  o 51.45000       1.694000      1076.299      -159.2 
1 1 1 26 5  10 o 10.20000       1.151000      360.6370      5.3    
1 1 1 26 5  11 o 25.17000       1.258000      770.9006      -155.4 
1 1 1 26 5  12 o 20.57000       1.200000      840.4940      -143.6 
1 1 1 26 5  13 o 1.629000       1.075000      507.5658      -119.3 
1 1 1 26 5  14 o 1.750000       1.060000      213.4375      69.3   
1 1 1 26 5  15 o 13.30000       1.123000      619.0477      -141.6 
1 1 1 26 5  16 o 36.80000       1.379000      970.8553      48.3   
1 1 1 26 5  17 o 24.54000       1.224000      931.2623      167.1  
1 1 1 26 5  18 o 3.796000       1.039000      143.3268      -83.7  
1 1 1 26 5  19 o 5.429000       1.057000      513.7430      -147.6 
1 1 1 26 5  20 o 4.002000       1.027000      481.0948      113.2  
1 1 1 26 5  21 o 10.62000       1.075000      551.2995      172.4  
1 1 1 26 5  22 o 17.95000       1.157000      509.8031      49.5   
1 1 1 26 5  23 o 17.02000       1.149000      652.2373      162.2  
1 1 1 26 5  24 o 2.359000       1.041000      211.1556      -79.2  
1 1 1 26 5  25 o -0.6575000     1.043000      35.92883      -151.5 
1 1 1 26 5  26 o 7.425000       1.200000      451.6334      -94.8  
1 1 1 26 5  27 o 8.922000       1.246000      537.3741      76.3   
1 1 1 26 5  28 o 24.44000       1.429000      717.4446      121.4  
1 1 1 26 5  29 o 2.417000       1.148000      134.3834      -81.2  
1 1 1 26 5  30 o -1.038000      1.252000      84.35783      7.6    
1 1 1 26 5  31 o 11.58000       1.421000      363.6775      45.5   
1 1 1 26 5  32 o 1.451000       1.394000      159.0083      47.3   
1 1 1 26 5  33 o 24.34000       1.824000      794.4418      -9.8   
1 1 1 26 5  34 o 7.000000       1.342000      487.1690      -41.5  
1 1 1 26 5  35 o 3.784000       1.291000      337.4958      -65.0  
1 1 1 26 5  36 o 1.044000       1.408000      357.7981      31.8   
1 1 1 26 5  37 o 6.311000       1.465000      284.7289      -91.4  
1 1 1 26 5  38 o 3.726000       1.420000      353.2623      -55.7  
1 1 1 26 5  39 o 4.439000       1.530000      352.3098      -15.2  
1 1 1 26 5  40 o 1.779000       1.259000      122.3927      -113.4 
1 1 1 26 5  41 o 5.048000       1.278000      362.0339      -50.4  
1 1 1 26 5  42 o 0.2299000      1.284000      134.9782      121.7  
1 1 1 26 5  43 o -0.2296000     1.296000      101.2914      -46.9  
1 1 1 26 5  44 o 11.91000       1.407000      588.6089      49.0   
1 1 1 26 5  45 o -0.1752000     1.319000      94.35959      -140.1 
1 1 1 26 5  46 o 7.214000       1.377000      267.4674      -168.9 
1 1 1 26 5  47 o 4.348000       1.379000      369.0055      138.1  
1 1 1 26 5  48 o -0.8242000     1.342000      151.6237      28.7   
1 1 1 26 5  49 o -0.6343000     1.348000      215.5128      -45.3  
1 1 1 26 5  50 o -0.6361000     1.467000      27.00073      -177.7 
1 1 1 26 5  51 o -0.2976000     1.668000      ?             ?      
1 1 1 26 5  52 o 2.889000       1.615000      ?             ?      
1 1 1 26 5  53 o -0.4612000     1.455000      ?             ?      
1 1 1 26 5  54 o -1.357000      1.555000      ?             ?      
1 1 1 26 5  55 o 2.516000       1.517000      ?             ?      
1 1 1 26 5  56 o 2.969000       1.502000      ?             ?      
1 1 1 26 5  57 o 1.657000       1.338000      ?             ?      
1 1 1 26 5  58 o 2.943000       1.323000      ?             ?      
1 1 1 26 5  59 f -0.1898000     1.222000      ?             ?      
1 1 1 26 5  60 o 0.6302000      1.296000      ?             ?      
1 1 1 26 5  61 o -0.9261000     1.314000      ?             ?      
1 1 1 26 5  62 o 0.6057000      1.381000      ?             ?      
1 1 1 26 5  63 o 0.3460000      1.379000      ?             ?      
1 1 1 26 5  64 o -0.8547000     1.246000      ?             ?      
1 1 1 26 5  65 o -1.477000      1.258000      ?             ?      
1 1 1 26 5  66 o -0.2453000     1.792000      ?             ?      
1 1 1 26 5  67 o 3.120000       1.633000      ?             ?      
1 1 1 26 5  68 o -2.008000      1.593000      ?             ?      
1 1 1 26 6  0  o -0.9135000     1.587000      67.29995      -180.0 
1 1 1 26 6  1  o 25.75000       1.307000      885.5463      -26.6  
1 1 1 26 6  2  o 50.44000       1.869000      1172.219      -45.9  
1 1 1 26 6  3  o 7.774000       1.183000      346.3971      -101.5 
1 1 1 26 6  4  o 11.27000       1.190000      387.4760      -171.3 
1 1 1 26 6  5  o 1.641000       1.148000      158.5610      109.8  
1 1 1 26 6  6  o 4.534000       1.147000      296.4888      -2.6   
1 1 1 26 6  7  o 16.58000       1.213000      534.0983      -10.3  
1 1 1 26 6  8  o 5.330000       1.152000      423.3911      6.0    
1 1 1 26 6  9  o 29.53000       1.355000      974.4216      -8.2   
1 1 1 26 6  10 o 17.71000       1.476000      783.7554      -68.6  
1 1 1 26 6  11 o 4.131000       1.092000      117.6700      -148.2 
1 1 1 26 6  12 o -0.7346000     1.077000      255.4604      20.4   
1 1 1 26 6  13 o 14.43000       1.145000      486.5290      38.3   
1 1 1 26 6  14 o 9.551000       1.092000      397.2723      4.0    
1 1 1 26 6  15 o 5.603000       1.084000      424.2743      -167.8 
1 1 1 26 6  16 o 4.647000       1.069000      235.3392      -32.4  
1 1 1 26 6  17 o 0.8622000      1.043000      296.7816      152.2  
1 1 1 26 6  18 o 5.403000       1.055000      299.9878      -73.6  
1 1 1 26 6  19 o 4.120000       1.047000      437.5267      165.6  
1 1 1 26 6  20 o 4.581000       1.050000      394.7783      112.6  
1 1 1 26 6  21 o -1.081000      1.022000      129.1035      -121.6 
1 1 1 26 6  22 o 0.9301000      1.022000      268.9527      6.0    
1 1 1 26 6  23 o 0.3796000      1.020000      23.77531      135.6  
1 1 1 26 6  24 o 2.446000       1.147000      204.9695      -89.7  
1 1 1 26 6  25 o -0.3752000     1.127000      112.9972      102.5  
1 1 1 26 6  26 o 3.176000       1.051000      211.7471      4.4    
1 1 1 26 6  27 o 18.84000       1.331000      672.2853      -46.5  
1 1 1 26 6  28 f 3.470000       1.184000      400.1718      166.9  
1 1 1 26 6  29 o 9.082000       1.119000      583.1904      -171.0 
1 1 1 26 6  30 o 3.065000       1.197000      432.6638      92.7   
1 1 1 26 6  31 o 1.963000       1.316000      22.74650      -33.1  
1 1 1 26 6  32 o 3.444000       1.379000      264.0139      104.8  
1 1 1 26 6  33 o 12.65000       1.320000      601.6636      -173.2 
1 1 1 26 6  34 o 2.011000       1.290000      148.0583      0.2    
1 1 1 26 6  35 o -0.1067000E-01 1.262000      199.8212      174.4  
1 1 1 26 6  36 o -0.6538000     1.273000      154.8609      39.5   
1 1 1 26 6  37 o 1.708000       1.507000      140.2489      -107.8 
1 1 1 26 6  38 o 2.425000       1.392000      274.1451      -7.2   
1 1 1 26 6  39 o 1.177000       1.328000      133.8752      19.6   
1 1 1 26 6  40 o 5.370000       1.379000      313.0967      -160.1 
1 1 1 26 6  41 o 0.9961000      1.250000      95.73896      19.1   
1 1 1 26 6  42 o 0.1290000      1.278000      79.06364      84.1   
1 1 1 26 6  43 o -0.2156000E-01 1.298000      86.75557      -95.6  
1 1 1 26 6  44 o 4.403000       1.346000      281.1339      7.9    
1 1 1 26 6  45 o 1.131000       1.317000      169.7246      -146.0 
1 1 1 26 6  46 o -1.489000      1.323000      72.85287      -47.7  
1 1 1 26 6  47 o 1.268000       1.333000      121.2811      -40.1  
1 1 1 26 6  48 o 2.046000       1.345000      80.78813      12.9   
1 1 1 26 6  49 o 0.4647000E-01  1.342000      129.8345      -29.9  
1 1 1 26 6  50 o -2.576000      1.459000      120.5678      -170.1 
1 1 1 26 6  51 o -0.1430000     1.607000      ?             ?      
1 1 1 26 6  52 o 0.1088000      1.554000      ?             ?      
1 1 1 26 6  53 o -0.1532000     1.500000      ?             ?      
1 1 1 26 6  54 o -1.569000      1.368000      ?             ?      
1 1 1 26 6  55 o 2.469000       1.411000      ?             ?      
1 1 1 26 6  56 o -0.5278000     1.395000      ?             ?      
1 1 1 26 6  57 o 0.8754000      1.482000      ?             ?      
1 1 1 26 6  58 o -0.8592000     1.393000      ?             ?      
1 1 1 26 6  59 o 1.873000       1.328000      ?             ?      
1 1 1 26 6  60 o 2.417000       1.252000      ?             ?      
1 1 1 26 6  61 o 0.1891000      1.239000      ?             ?      
1 1 1 26 6  62 o 1.812000       1.308000      ?             ?      
1 1 1 26 6  63 o -0.4674000     1.293000      ?             ?      
1 1 1 26 6  64 o -0.1718000     1.268000      ?             ?      
1 1 1 26 6  65 o 1.640000       1.412000      ?             ?      
1 1 1 26 6  66 o 1.815000       1.422000      ?             ?      
1 1 1 26 6  67 o -0.6676000     1.505000      ?             ?      
1 1 1 26 6  68 o 3.545000       1.539000      ?             ?      
1 1 1 26 7  0  o 8.149000       1.647000      234.9438      0.0    
1 1 1 26 7  1  o 1.355000       1.115000      364.2999      -83.6  
1 1 1 26 7  2  o 0.5911000      1.186000      88.55653      -34.9  
1 1 1 26 7  3  f 4.932000       1.157000      288.8829      87.5   
1 1 1 26 7  4  o 2.566000       1.152000      341.1637      -125.7 
1 1 1 26 7  5  o 6.419000       1.140000      366.2764      -165.9 
1 1 1 26 7  6  o 11.14000       1.158000      415.1589      43.9   
1 1 1 26 7  7  o 5.439000       1.150000      405.3296      167.8  
1 1 1 26 7  8  o 3.587000       1.173000      362.6528      -135.1 
1 1 1 26 7  9  o 6.458000       1.165000      204.9660      -178.7 
1 1 1 26 7  10 o 0.6819000      1.086000      286.3306      72.9   
1 1 1 26 7  11 o 9.826000       1.158000      734.0634      -161.4 
1 1 1 26 7  12 o 5.968000       1.113000      543.5923      -115.1 
1 1 1 26 7  13 o -0.4174000     1.069000      112.4876      122.1  
1 1 1 26 7  14 o 9.877000       1.107000      483.0589      115.8  
1 1 1 26 7  15 o 5.417000       1.084000      72.99739      -135.4 
1 1 1 26 7  16 o 21.30000       1.219000      849.5824      3.6    
1 1 1 26 7  17 o 3.572000       1.045000      418.3512      -156.0 
1 1 1 26 7  18 o 2.646000       1.031000      368.1153      -142.7 
1 1 1 26 7  19 o 4.897000       1.040000      517.3472      -157.9 
1 1 1 26 7  20 o 3.853000       1.055000      213.0611      -124.9 
1 1 1 26 7  21 o 13.65000       1.273000      545.6022      142.0  
1 1 1 26 7  22 o 1.048000       1.163000      260.0996      142.0  
1 1 1 26 7  23 o -1.379000      1.048000      259.8165      -105.2 
1 1 1 26 7  24 o -1.777000      1.101000      58.63724      1.8    
1 1 1 26 7  25 o -0.6096000     1.059000      105.3398      166.1  
1 1 1 26 7  26 o -1.333000      1.026000      82.93305      135.2  
1 1 1 26 7  27 o 0.6418000      1.067000      238.1958      153.2  
1 1 1 26 7  28 o 6.583000       1.102000      335.9869      80.8   
1 1 1 26 7  29 o 6.560000       1.184000      464.8041      -101.6 
1 1 1 26 7  30 o 4.748000       1.223000      312.3427      109.4  
1 1 1 26 7  31 o 1.430000       1.506000      231.2586      62.4   
1 1 1 26 7  32 o 1.661000       1.378000      165.7265      -34.2  
1 1 1 26 7  33 o 8.043000       1.249000      397.7379      -3.6   
1 1 1 26 7  34 o 2.617000       1.206000      255.6393      -14.7  
1 1 1 26 7  35 o -2.638000      1.180000      45.96056      172.3  
1 1 1 26 7  36 o 0.5117000      1.265000      165.4586      -177.8 
1 1 1 26 7  37 o 0.2347000      1.421000      251.1835      -156.3 
1 1 1 26 7  38 o 0.1619000      1.265000      177.8275      54.6   
1 1 1 26 7  39 o -0.7210000E-01 1.420000      178.0183      -32.9  
1 1 1 26 7  40 o 2.101000       1.353000      262.9720      -55.3  
1 1 1 26 7  41 o 2.069000       1.244000      129.8243      -110.7 
1 1 1 26 7  42 o 3.067000       1.292000      291.7155      112.7  
1 1 1 26 7  43 o 3.269000       1.306000      44.04744      -70.6  
1 1 1 26 7  44 o 4.167000       1.345000      371.3008      90.6   
1 1 1 26 7  45 o 1.471000       1.325000      214.2145      136.3  
1 1 1 26 7  46 o 0.7625000      1.323000      125.9899      57.4   
1 1 1 26 7  47 o 0.7799000      1.330000      43.99998      117.6  
1 1 1 26 7  48 o 0.9545000      1.324000      146.6718      31.4   
1 1 1 26 7  49 o -0.6559000     1.465000      165.8534      -70.4  
1 1 1 26 7  50 o 2.006000       1.466000      146.9592      95.8   
1 1 1 26 7  51 o -1.124000      1.884000      ?             ?      
1 1 1 26 7  52 o -0.3269000E-01 1.388000      ?             ?      
1 1 1 26 7  53 o -1.334000      1.258000      ?             ?      
1 1 1 26 7  54 o 1.982000       1.250000      ?             ?      
1 1 1 26 7  55 f 0.8783000      1.469000      ?             ?      
1 1 1 26 7  56 o -0.4975000     1.648000      ?             ?      
1 1 1 26 7  57 o -1.671000      1.517000      ?             ?      
1 1 1 26 7  58 o -1.260000      1.388000      ?             ?      
1 1 1 26 7  59 o 0.1480000      1.439000      ?             ?      
1 1 1 26 7  60 o -0.5066000     1.228000      ?             ?      
1 1 1 26 7  61 o 0.9533000      1.237000      ?             ?      
1 1 1 26 7  62 o -0.4225000     1.242000      ?             ?      
1 1 1 26 7  63 o -0.9253000     1.246000      ?             ?      
1 1 1 26 7  64 o 0.9350000      1.254000      ?             ?      
1 1 1 26 7  65 o 1.714000       1.949000      ?             ?      
1 1 1 26 7  66 o -0.2347000     1.564000      ?             ?      
1 1 1 26 7  67 o -0.5168000     1.606000      ?             ?      
1 1 1 26 8  0  o 1.487000       1.674000      269.4681      0.0    
1 1 1 26 8  1  o 0.6539000      1.096000      114.2829      -57.6  
1 1 1 26 8  2  o 5.282000       1.149000      286.9011      146.3  
1 1 1 26 8  3  o 0.3970000      1.128000      306.1408      84.1   
1 1 1 26 8  4  o -0.8568000E-01 1.121000      101.1357      -70.2  
1 1 1 26 8  5  o 0.8746000      1.103000      157.3573      -42.5  
1 1 1 26 8  6  o 2.344000       1.096000      406.5848      -95.6  
1 1 1 26 8  7  o 2.945000       1.124000      290.8798      -50.1  
1 1 1 26 8  8  o 11.60000       1.192000      316.9224      -33.5  
1 1 1 26 8  9  o 1.331000       1.136000      92.61082      -167.4 
1 1 1 26 8  10 o 17.14000       1.454000      593.6030      -92.0  
1 1 1 26 8  11 o -0.4822000     1.079000      160.0096      85.7   
1 1 1 26 8  12 o 2.460000       1.106000      306.1292      -149.4 
1 1 1 26 8  13 o 5.121000       1.095000      270.7635      -5.5   
1 1 1 26 8  14 o 0.3811000      1.057000      51.06416      -158.0 
1 1 1 26 8  15 o 0.7734000      1.047000      191.0672      -36.4  
1 1 1 26 8  16 o 3.991000       1.079000      285.4513      4.0    
1 1 1 26 8  17 o -0.1921000     1.024000      154.4478      113.4  
1 1 1 26 8  18 o 0.6777000      1.041000      203.4536      -35.4  
1 1 1 26 8  19 o -3.494000      1.348000      63.14040      -168.8 
1 1 1 26 8  20 o -1.046000      1.170000      48.14137      -70.4  
1 1 1 26 8  21 o 6.749000       1.102000      456.3711      -46.5  
1 1 1 26 8  22 o -0.8190000     1.103000      152.2774      68.3   
1 1 1 26 8  23 o -0.2060000     1.092000      61.78344      -97.4  
1 1 1 26 8  24 o -0.3241000     0.9896000     165.3295      20.9   
1 1 1 26 8  25 o -0.7767000     0.9915000     78.37481      -131.3 
1 1 1 26 8  26 o 4.590000       1.044000      237.0042      -71.5  
1 1 1 26 8  27 o 0.4676000      1.055000      212.3504      -23.4  
1 1 1 26 8  28 o 1.435000       1.068000      216.2002      144.6  
1 1 1 26 8  29 o 3.337000       1.326000      265.5635      162.8  
1 1 1 26 8  30 o 5.157000       1.464000      281.9038      7.7    
1 1 1 26 8  31 o 0.8614000      1.425000      256.8936      146.8  
1 1 1 26 8  32 o 2.513000       1.270000      270.7047      119.1  
1 1 1 26 8  33 o 0.6119000      1.092000      159.3568      -175.4 
1 1 1 26 8  34 o -2.593000      1.226000      157.1746      -68.2  
1 1 1 26 8  35 o 2.734000       1.187000      146.7226      6.4    
1 1 1 26 8  36 o 2.772000       1.282000      46.15551      134.0  
1 1 1 26 8  37 o -0.7258000     1.220000      243.0456      -144.8 
1 1 1 26 8  38 o -0.4691000     1.456000      158.2098      -84.6  
1 1 1 26 8  39 o -1.320000      1.403000      25.14535      165.7  
1 1 1 26 8  40 o -0.5486000E-01 1.332000      246.8432      126.6  
1 1 1 26 8  41 o 1.308000       1.358000      244.0535      38.3   
1 1 1 26 8  42 o 1.535000       1.405000      175.5034      -101.8 
1 1 1 26 8  43 o -0.3447000     1.288000      168.0369      170.6  
1 1 1 26 8  44 o 0.7663000      1.310000      121.5500      -50.6  
1 1 1 26 8  45 o -0.4015000     1.327000      167.2188      -135.5 
1 1 1 26 8  46 o 0.6317000      1.329000      156.1662      -84.8  
1 1 1 26 8  47 o -1.957000      1.309000      148.9964      81.2   
1 1 1 26 8  48 o -1.245000      1.308000      162.0351      83.1   
1 1 1 26 8  49 f 1.819000       1.458000      206.3858      -123.2 
1 1 1 26 8  50 o 0.7111000      1.574000      ?             ?      
1 1 1 26 8  51 o -3.385000      1.524000      ?             ?      
1 1 1 26 8  52 o 2.027000       1.375000      ?             ?      
1 1 1 26 8  53 o 2.299000       1.342000      ?             ?      
1 1 1 26 8  54 o 1.167000       1.255000      ?             ?      
1 1 1 26 8  55 o 0.6734000      1.403000      ?             ?      
1 1 1 26 8  56 o -0.3774000     1.408000      ?             ?      
1 1 1 26 8  57 o 1.969000       1.374000      ?             ?      
1 1 1 26 8  58 o -0.8712000E-01 1.473000      ?             ?      
1 1 1 26 8  59 o -2.550000      1.393000      ?             ?      
1 1 1 26 8  60 o 0.1466000      1.451000      ?             ?      
1 1 1 26 8  61 o 0.7923000      1.303000      ?             ?      
1 1 1 26 8  62 o -1.056000      1.251000      ?             ?      
1 1 1 26 8  63 o -0.3282000     1.235000      ?             ?      
1 1 1 26 8  64 o 0.5590000      1.257000      ?             ?      
1 1 1 26 8  65 o 0.1783000      1.395000      ?             ?      
1 1 1 26 8  66 o -0.1625000     2.238000      ?             ?      
1 1 1 26 8  67 f 0.1741000      1.466000      ?             ?      
1 1 1 26 9  0  o -1.096000      1.536000      223.3553      -0.0   
1 1 1 26 9  1  o -0.1060000     1.115000      92.35060      -77.6  
1 1 1 26 9  2  o 0.1630000      1.136000      239.4207      -141.4 
1 1 1 26 9  3  o -1.501000      1.121000      87.06824      100.9  
1 1 1 26 9  4  o 1.212000       1.117000      99.82479      51.6   
1 1 1 26 9  5  o 1.101000       1.089000      99.87926      -100.4 
1 1 1 26 9  6  o -0.4627000     1.103000      128.7351      110.8  
1 1 1 26 9  7  o 1.307000       1.123000      137.3131      39.9   
1 1 1 26 9  8  o 1.324000       1.123000      248.5472      -102.3 
1 1 1 26 9  9  o -0.3656000     1.130000      141.7205      -72.1  
1 1 1 26 9  10 o 0.1287000      1.140000      274.1101      -126.7 
1 1 1 26 9  11 o 1.273000       1.087000      79.71969      -127.6 
1 1 1 26 9  12 o 0.1797000      1.095000      171.5411      -93.6  
1 1 1 26 9  13 o -0.7935000     1.086000      296.7550      53.4   
1 1 1 26 9  14 o 4.217000       1.090000      247.9356      120.1  
1 1 1 26 9  15 o -1.423000      1.036000      38.21295      -89.2  
1 1 1 26 9  16 o 1.656000       1.137000      251.1945      -80.9  
1 1 1 26 9  17 o 2.506000       1.201000      251.2433      -139.7 
1 1 1 26 9  18 o 0.2402000      1.049000      109.4175      -37.5  
1 1 1 26 9  19 o 0.8973000      1.117000      273.7142      -118.9 
1 1 1 26 9  20 o 0.5097000      1.100000      76.97279      78.0   
1 1 1 26 9  21 o 2.559000       1.050000      140.5708      103.3  
1 1 1 26 9  22 o -0.6094000     1.037000      48.27416      -77.3  
1 1 1 26 9  23 o 1.151000       1.028000      62.80522      -50.8  
1 1 1 26 9  24 o 0.7490000      1.006000      175.5771      104.5  
1 1 1 26 9  25 o 3.659000       1.017000      248.9601      158.9  
1 1 1 26 9  26 o 1.012000       1.090000      55.70896      -14.4  
1 1 1 26 9  27 o -2.144000      1.079000      115.9303      15.7   
1 1 1 26 9  28 o -1.190000      1.116000      159.1761      -119.8 
1 1 1 26 9  29 o 1.530000       1.315000      173.5524      -137.5 
1 1 1 26 9  30 o 1.986000       1.689000      289.3069      164.8  
1 1 1 26 9  31 o 0.3254000      1.230000      126.7892      24.3   
1 1 1 26 9  32 o -0.8512000     1.082000      81.02123      -29.9  
1 1 1 26 9  33 o 1.230000       1.066000      38.49645      81.9   
1 1 1 26 9  34 o 0.5955000      1.074000      67.75691      38.3   
1 1 1 26 9  35 o 0.8838000      1.161000      66.93878      -69.6  
1 1 1 26 9  36 o -0.9756000     1.195000      123.0436      -158.9 
1 1 1 26 9  37 o -0.1267000     1.232000      55.86654      -137.2 
1 1 1 26 9  38 o -2.540000      1.535000      80.34007      -12.7  
1 1 1 26 9  39 o -1.310000      1.307000      109.0481      105.9  
1 1 1 26 9  40 o -1.063000      1.419000      71.54461      -158.0 
1 1 1 26 9  41 o 1.865000       1.343000      119.6073      118.6  
1 1 1 26 9  42 o 0.4164000      1.260000      115.1537      -149.6 
1 1 1 26 9  43 o 1.311000       1.267000      66.99638      -44.0  
1 1 1 26 9  44 f 1.648000       1.304000      186.7065      84.1   
1 1 1 26 9  45 o 1.202000       1.327000      156.7424      34.0   
1 1 1 26 9  46 o -0.6613000     1.321000      54.72226      -163.0 
1 1 1 26 9  47 o 2.953000       1.315000      59.12885      -24.8  
1 1 1 26 9  48 o -1.001000      1.305000      39.87216      -41.3  
1 1 1 26 9  49 o 0.2419000      1.457000      65.02357      -161.3 
1 1 1 26 9  50 o 1.924000       1.471000      ?             ?      
1 1 1 26 9  51 o -0.5412000E-01 1.410000      ?             ?      
1 1 1 26 9  52 f -0.1579000     1.264000      ?             ?      
1 1 1 26 9  53 o 0.5685000      1.245000      ?             ?      
1 1 1 26 9  54 o -1.079000      1.231000      ?             ?      
1 1 1 26 9  55 o 1.362000       1.256000      ?             ?      
1 1 1 26 9  56 o -0.1534000E-01 1.382000      ?             ?      
1 1 1 26 9  57 o 2.637000       1.344000      ?             ?      
1 1 1 26 9  58 o 1.066000       1.470000      ?             ?      
1 1 1 26 9  59 o 0.1294000      1.386000      ?             ?      
1 1 1 26 9  60 o 1.829000       1.430000      ?             ?      
1 1 1 26 9  61 o -0.3766000E-01 1.333000      ?             ?      
1 1 1 26 9  62 f -0.6832000     1.301000      ?             ?      
1 1 1 26 9  63 o 0.6871000      1.322000      ?             ?      
1 1 1 26 9  64 o 0.8873000      1.388000      ?             ?      
1 1 1 26 9  65 o 0.2908000      1.454000      ?             ?      
1 1 1 26 9  66 o -0.6563000     1.459000      ?             ?      
1 1 1 26 9  67 o 0.5475000      1.825000      ?             ?      
1 1 1 26 10 0  o -1.624000      1.528000      163.2466      0.0    
1 1 1 26 10 1  o 0.2447000      1.139000      52.17453      103.7  
1 1 1 26 10 2  o -0.8098000     1.132000      31.65767      -56.0  
1 1 1 26 10 3  o -1.690000      1.122000      68.59024      134.8  
1 1 1 26 10 4  o -0.9472000     1.112000      129.1859      -49.0  
1 1 1 26 10 5  o -0.4085000     1.111000      41.42960      -130.1 
1 1 1 26 10 6  o -0.2628000     1.112000      106.6896      141.1  
1 1 1 26 10 7  o -0.9282000     1.120000      86.32543      -6.1   
1 1 1 26 10 8  o -1.337000      1.136000      64.80213      -114.8 
1 1 1 26 10 9  o -1.726000      1.140000      68.60510      -57.6  
1 1 1 26 10 10 o -3.204000      1.267000      221.8522      29.4   
1 1 1 26 10 11 o -2.368000      1.132000      99.16737      -5.1   
1 1 1 26 10 12 o -0.7915000     1.092000      111.3737      173.4  
1 1 1 26 10 13 o 0.7756000      1.088000      99.05181      -99.9  
1 1 1 26 10 14 o 0.3349000      1.170000      56.75664      -73.5  
1 1 1 26 10 15 o 1.232000       1.186000      190.0393      31.9   
1 1 1 26 10 16 o -0.3619000     1.052000      98.19878      65.0   
1 1 1 26 10 17 o 1.218000       1.152000      140.3278      -117.7 
1 1 1 26 10 18 o -0.9489000     1.113000      91.89785      25.5   
1 1 1 26 10 19 o -0.5231000E-01 1.045000      25.03727      119.0  
1 1 1 26 10 20 o 0.1068000      1.040000      92.40374      64.9   
1 1 1 26 10 21 o 0.6896000      1.051000      156.9141      -84.2  
1 1 1 26 10 22 o -1.013000      1.038000      175.4841      -61.8  
1 1 1 26 10 23 o -0.9564000     1.027000      46.28219      -153.9 
1 1 1 26 10 24 o 1.140000       1.063000      54.91632      -92.4  
1 1 1 26 10 25 o 0.5046000      1.034000      130.7979      -86.2  
1 1 1 26 10 26 o 1.299000       1.040000      118.0864      -59.9  
1 1 1 26 10 27 o -0.1954000     1.106000      100.3903      5.1    
1 1 1 26 10 28 o 0.2282000      1.146000      34.22746      14.4   
1 1 1 26 10 29 o -0.6052000     1.322000      90.48103      -99.6  
1 1 1 26 10 30 o 0.7771000E-03  1.225000      95.81998      114.2  
1 1 1 26 10 31 o 0.4733000      1.222000      73.22807      176.1  
1 1 1 26 10 32 o -0.1872000     1.072000      57.33067      -130.5 
1 1 1 26 10 33 o 0.2158000E-01  1.054000      102.6674      129.2  
1 1 1 26 10 34 o -0.8009000     1.062000      130.5624      -36.7  
1 1 1 26 10 35 o 0.5461000      1.169000      82.87670      65.5   
1 1 1 26 10 36 o -1.107000      1.201000      58.75600      167.4  
1 1 1 26 10 37 o 1.583000       1.334000      127.2337      -99.3  
1 1 1 26 10 38 o -1.495000      1.275000      50.65064      114.9  
1 1 1 26 10 39 o -0.2085000     1.314000      96.87577      71.0   
1 1 1 26 10 40 o 0.3881000      1.450000      43.06797      -34.4  
1 1 1 26 10 41 o 1.222000       1.348000      93.59170      -38.2  
1 1 1 26 10 42 o 0.4303000      1.362000      133.4959      -112.1 
1 1 1 26 10 43 o 0.4179000      1.262000      15.99220      169.6  
1 1 1 26 10 44 o 0.5576000      1.278000      10.91668      17.1   
1 1 1 26 10 45 o 0.6004000      1.304000      50.05126      172.0  
1 1 1 26 10 46 o 0.8669000      1.334000      40.89423      52.1   
1 1 1 26 10 47 o -0.2629000     1.311000      64.77567      -132.8 
1 1 1 26 10 48 o 1.440000       1.409000      84.43380      -90.5  
1 1 1 26 10 49 o -1.201000      1.548000      75.07402      153.5  
1 1 1 26 10 50 o 2.241000       1.527000      ?             ?      
1 1 1 26 10 51 o -0.7556000     1.334000      ?             ?      
1 1 1 26 10 52 o -0.6275000     1.234000      ?             ?      
1 1 1 26 10 53 o 0.7018000E-01  1.219000      ?             ?      
1 1 1 26 10 54 o -1.171000      1.209000      ?             ?      
1 1 1 26 10 55 o -0.5023000     1.221000      ?             ?      
1 1 1 26 10 56 o -1.333000      1.372000      ?             ?      
1 1 1 26 10 57 o 0.5939000      1.461000      ?             ?      
1 1 1 26 10 58 o 0.2178000      1.320000      ?             ?      
1 1 1 26 10 59 o 0.6125000      1.312000      ?             ?      
1 1 1 26 10 60 o -1.274000      1.340000      ?             ?      
1 1 1 26 10 61 o -0.3965000E-01 1.342000      ?             ?      
1 1 1 26 10 62 o 0.6442000      1.340000      ?             ?      
1 1 1 26 10 63 o 1.078000       1.337000      ?             ?      
1 1 1 26 10 64 o -0.3088000     1.382000      ?             ?      
1 1 1 26 10 65 o -1.043000      1.556000      ?             ?      
1 1 1 26 10 66 o 0.4212000      1.548000      ?             ?      
1 1 1 26 10 67 o 1.639000       1.320000      ?             ?      
1 1 1 26 11 0  o -4.256000      1.585000      253.2264      -180.0 
1 1 1 26 11 1  o -0.9581000     1.135000      71.89734      81.9   
1 1 1 26 11 2  o 0.4997000      1.138000      14.15372      -103.3 
1 1 1 26 11 3  o -0.3727000     1.146000      60.21809      125.5  
1 1 1 26 11 4  o -0.1241000     1.127000      36.78288      -12.3  
1 1 1 26 11 5  o 1.323000       1.111000      149.0994      -69.6  
1 1 1 26 11 6  o -0.2190000     1.111000      110.0195      -56.7  
1 1 1 26 11 7  o -1.447000      1.109000      44.31140      -78.9  
1 1 1 26 11 8  o -3.093000      1.121000      129.9094      -137.5 
1 1 1 26 11 9  o -0.5838000     1.135000      196.5486      107.7  
1 1 1 26 11 10 o -2.043000      1.156000      82.84081      19.1   
1 1 1 26 11 11 o -0.7524000     1.160000      71.31596      -172.0 
1 1 1 26 11 12 o 0.6734000      1.149000      120.4665      -3.9   
1 1 1 26 11 13 o 1.044000       1.083000      70.45686      109.3  
1 1 1 26 11 14 o -1.953000      1.184000      111.8732      -91.2  
1 1 1 26 11 15 o -0.8796000     1.156000      232.7659      -92.2  
1 1 1 26 11 16 o 0.8304000      1.040000      125.7305      -88.9  
1 1 1 26 11 17 o 0.2122000      1.034000      49.92735      -85.5  
1 1 1 26 11 18 o 1.107000       1.056000      80.98727      -11.6  
1 1 1 26 11 19 o 1.565000       1.068000      114.7540      34.1   
1 1 1 26 11 20 o -1.287000      1.058000      132.9299      -135.7 
1 1 1 26 11 21 o -0.7645000     1.117000      82.34136      -50.3  
1 1 1 26 11 22 o -1.116000      1.092000      62.93916      -10.2  
1 1 1 26 11 23 o 0.7767000      1.040000      81.91969      61.5   
1 1 1 26 11 24 o -0.4705000E-01 1.090000      92.63934      -154.0 
1 1 1 26 11 25 o -1.082000      1.078000      14.33868      29.3   
1 1 1 26 11 26 o 0.4832000      1.017000      133.1269      76.1   
1 1 1 26 11 27 o -0.1983000     1.092000      55.36998      47.7   
1 1 1 26 11 28 o 0.4232000      1.229000      158.5523      -131.6 
1 1 1 26 11 29 o -0.7176000     1.425000      61.87800      -103.6 
1 1 1 26 11 30 o -0.4987000     1.222000      98.93810      55.2   
1 1 1 26 11 31 o 0.3048000      1.079000      84.93092      -67.9  
1 1 1 26 11 32 o -1.037000      1.066000      79.15883      -144.2 
1 1 1 26 11 33 o -0.8378000     1.057000      103.7403      127.6  
1 1 1 26 11 34 o -0.2653000     1.078000      102.3932      -28.7  
1 1 1 26 11 35 o 0.5871000      1.107000      101.9189      -93.3  
1 1 1 26 11 36 o 0.3857000      1.239000      44.79125      -112.9 
1 1 1 26 11 37 o -2.688000      1.359000      111.7361      -95.6  
1 1 1 26 11 38 o -2.726000      1.264000      82.70590      -34.6  
1 1 1 26 11 39 o 3.526000       1.539000      130.3097      10.3   
1 1 1 26 11 40 o -1.202000      1.388000      105.7130      9.0    
1 1 1 26 11 41 o -0.5876000     1.485000      65.30991      123.9  
1 1 1 26 11 42 o -0.3067000     1.374000      156.6475      170.2  
1 1 1 26 11 43 o 0.1015000      1.270000      92.06007      133.2  
1 1 1 26 11 44 o -1.641000      1.279000      96.96825      99.2   
1 1 1 26 11 45 o -0.6821000     1.306000      40.86880      18.5   
1 1 1 26 11 46 o 0.6057000E-02  1.333000      108.6945      -2.2   
1 1 1 26 11 47 o -0.8865000     1.326000      122.3865      -1.1   
1 1 1 26 11 48 o 0.1563000      1.478000      83.14635      -122.8 
1 1 1 26 11 49 o 1.711000       1.502000      121.5385      92.2   
1 1 1 26 11 50 o -1.482000      1.400000      ?             ?      
1 1 1 26 11 51 o 0.4472000      1.233000      ?             ?      
1 1 1 26 11 52 o 0.7990000      1.227000      ?             ?      
1 1 1 26 11 53 o 1.756000       1.212000      ?             ?      
1 1 1 26 11 54 o 1.510000       1.207000      ?             ?      
1 1 1 26 11 55 o 0.4642000      1.204000      ?             ?      
1 1 1 26 11 56 o -0.1837000E-01 1.383000      ?             ?      
1 1 1 26 11 57 o -1.490000      1.375000      ?             ?      
1 1 1 26 11 58 o -0.2457000     1.318000      ?             ?      
1 1 1 26 11 59 o -0.8796000     1.287000      ?             ?      
1 1 1 26 11 60 o 1.100000       1.392000      ?             ?      
1 1 1 26 11 61 o -0.1988000     1.335000      ?             ?      
1 1 1 26 11 62 o -1.588000      1.240000      ?             ?      
1 1 1 26 11 63 o -0.9335000     1.238000      ?             ?      
1 1 1 26 11 64 o 1.172000       1.466000      ?             ?      
1 1 1 26 11 65 o 0.2986000      1.534000      ?             ?      
1 1 1 26 11 66 o 0.5622000      1.397000      ?             ?      
1 1 1 26 11 67 o -2.051000      1.362000      ?             ?      
1 1 1 26 12 0  o -4.327000      1.895000      180.0088      180.0  
1 1 1 26 12 1  o 0.5128000      1.156000      155.7568      120.0  
1 1 1 26 12 2  o -1.555000      1.143000      126.4315      138.9  
1 1 1 26 12 3  o -2.012000      1.137000      164.9811      86.2   
1 1 1 26 12 4  o -2.697000      1.130000      51.21616      -72.1  
1 1 1 26 12 5  o -0.6483000     1.253000      187.3363      68.8   
1 1 1 26 12 6  o 1.280000       1.141000      82.88891      159.9  
1 1 1 26 12 7  o -0.1436000     1.150000      80.77044      32.8   
1 1 1 26 12 8  o -1.538000      1.137000      52.08403      -94.2  
1 1 1 26 12 9  o 0.3065000      1.112000      61.25615      5.8    
1 1 1 26 12 10 o 0.6395000      1.158000      280.3829      59.6   
1 1 1 26 12 11 o -0.7082000     1.154000      198.1211      74.0   
1 1 1 26 12 12 o -1.645000      1.175000      119.1794      130.1  
1 1 1 26 12 13 o 0.2209000E-02  1.084000      67.02518      118.8  
1 1 1 26 12 14 o -1.384000      1.074000      132.2179      45.2   
1 1 1 26 12 15 o -2.488000      1.054000      64.75318      74.3   
1 1 1 26 12 16 o 0.3321000      1.071000      118.0119      -42.4  
1 1 1 26 12 17 o -0.3112000     1.043000      84.70407      71.1   
1 1 1 26 12 18 o -1.066000      1.042000      16.90261      64.8   
1 1 1 26 12 19 o 1.793000       1.121000      162.8658      -142.4 
1 1 1 26 12 20 o -0.5542000     1.087000      66.26992      -113.6 
1 1 1 26 12 21 o -0.6309000     1.096000      151.3605      59.4   
1 1 1 26 12 22 o -0.8351000     1.077000      131.0266      -125.4 
1 1 1 26 12 23 o 0.2704000      1.037000      178.5734      2.1    
1 1 1 26 12 24 o 1.042000       1.067000      31.51744      66.7   
1 1 1 26 12 25 o -1.394000      1.041000      89.58022      -100.9 
1 1 1 26 12 26 o -1.332000      1.035000      72.06335      -143.1 
1 1 1 26 12 27 o -0.3454000     1.115000      61.07274      -68.7  
1 1 1 26 12 28 o -1.096000      1.218000      23.88237      76.1   
1 1 1 26 12 29 o -1.335000      1.187000      71.71520      -171.6 
1 1 1 26 12 30 o 0.7485000      1.233000      135.5918      -17.8  
1 1 1 26 12 31 o -0.7405000     1.070000      84.40398      -124.9 
1 1 1 26 12 32 o 0.1168000      1.095000      163.0053      -32.1  
1 1 1 26 12 33 o 0.1158000      1.076000      108.4961      103.3  
1 1 1 26 12 34 o 1.339000       1.099000      152.9415      18.6   
1 1 1 26 12 35 o 0.2493000      1.121000      89.62054      119.8  
1 1 1 26 12 36 o -0.9675000     1.261000      156.8922      28.1   
1 1 1 26 12 37 o -1.326000      1.287000      61.77239      123.9  
1 1 1 26 12 38 o -1.011000      1.286000      95.98039      130.2  
1 1 1 26 12 39 o 0.7230000      1.316000      158.1714      132.0  
1 1 1 26 12 40 o 2.172000       1.413000      212.8390      -93.3  
1 1 1 26 12 41 o 1.465000       1.420000      117.5295      -113.3 
1 1 1 26 12 42 o -0.8160000     1.388000      117.5818      117.8  
1 1 1 26 12 43 o 0.1262000      1.395000      78.73312      24.9   
1 1 1 26 12 44 o 0.3715000      1.301000      46.17039      -150.7 
1 1 1 26 12 45 o 0.9693000E-01  1.333000      188.7908      167.9  
1 1 1 26 12 46 o 1.177000       1.425000      106.2056      151.3  
1 1 1 26 12 47 o 0.3539000      1.413000      73.89765      -95.2  
1 1 1 26 12 48 o 1.613000       1.496000      119.7540      -31.2  
1 1 1 26 12 49 o 2.330000       1.557000      ?             ?      
1 1 1 26 12 50 o -1.003000      1.335000      ?             ?      
1 1 1 26 12 51 o 1.237000       1.224000      ?             ?      
1 1 1 26 12 52 o -0.7114000     1.210000      ?             ?      
1 1 1 26 12 53 o -2.315000      1.204000      ?             ?      
1 1 1 26 12 54 o -1.427000      1.194000      ?             ?      
1 1 1 26 12 55 o 1.533000       1.203000      ?             ?      
1 1 1 26 12 56 o -0.8803000     1.209000      ?             ?      
1 1 1 26 12 57 o 0.7097000      1.368000      ?             ?      
1 1 1 26 12 58 o 0.2881000      1.318000      ?             ?      
1 1 1 26 12 59 o -2.189000      1.301000      ?             ?      
1 1 1 26 12 60 o -0.2424000     1.304000      ?             ?      
1 1 1 26 12 61 o -0.3267000E-01 1.332000      ?             ?      
1 1 1 26 12 62 o 1.331000       1.328000      ?             ?      
1 1 1 26 12 63 o -1.723000      1.708000      ?             ?      
1 1 1 26 12 64 o 1.696000       1.554000      ?             ?      
1 1 1 26 12 65 o 1.726000       1.454000      ?             ?      
1 1 1 26 12 66 o -0.3089000     1.384000      ?             ?      
1 1 1 26 12 67 o -1.554000      2.097000      ?             ?      
1 1 1 26 13 0  o 3.899000       1.648000      321.3557      -0.0   
1 1 1 26 13 1  o 3.987000       1.182000      381.6590      -76.1  
1 1 1 26 13 2  o -2.335000      1.139000      247.0346      155.4  
1 1 1 26 13 3  o -2.272000      1.140000      211.6480      107.1  
1 1 1 26 13 4  o 2.731000       1.112000      164.2412      47.2   
1 1 1 26 13 5  o 0.6129000      1.131000      343.1979      -116.4 
1 1 1 26 13 6  o 1.396000       1.108000      173.2315      135.7  
1 1 1 26 13 7  o 2.554000       1.113000      182.9278      -98.7  
1 1 1 26 13 8  o 0.3664000      1.091000      117.1567      140.9  
1 1 1 26 13 9  o 0.8023000      1.174000      93.59966      -147.6 
1 1 1 26 13 10 o -0.8628000     1.191000      88.92150      100.6  
1 1 1 26 13 11 o 5.026000       1.158000      295.7610      87.4   
1 1 1 26 13 12 o 0.2602000      1.098000      189.4107      169.8  
1 1 1 26 13 13 o -0.8222000E-01 1.176000      105.7463      -116.1 
1 1 1 26 13 14 o 2.302000       1.071000      297.1843      -176.5 
1 1 1 26 13 15 o 2.101000       1.060000      338.7000      133.1  
1 1 1 26 13 16 o -0.2250000     1.106000      238.8446      68.2   
1 1 1 26 13 17 o 0.9588000      1.105000      350.7195      -84.7  
1 1 1 26 13 18 o -0.7540000     1.048000      9.262235      -171.7 
1 1 1 26 13 19 o -1.198000      1.093000      173.4672      5.8    
1 1 1 26 13 20 o 0.4860000      1.122000      115.6274      -150.0 
1 1 1 26 13 21 o 0.4416000      1.040000      89.42416      -65.4  
1 1 1 26 13 22 f -0.6088000     1.019000      248.1029      -107.9 
1 1 1 26 13 23 o 2.790000       1.050000      185.4738      -76.7  
1 1 1 26 13 24 o 0.7025000      1.058000      241.8818      58.9   
1 1 1 26 13 25 o 2.014000       1.074000      205.4917      -11.1  
1 1 1 26 13 26 o 4.074000       1.128000      221.7123      121.5  
1 1 1 26 13 27 o 2.817000       1.137000      204.6078      -29.2  
1 1 1 26 13 28 o 1.053000       1.300000      235.1763      -173.9 
1 1 1 26 13 29 f 2.733000       1.181000      295.6128      34.8   
1 1 1 26 13 30 o 0.4986000      1.066000      191.8986      65.9   
1 1 1 26 13 31 o 3.474000       1.106000      201.2691      82.0   
1 1 1 26 13 32 o 1.027000       1.084000      95.95174      -172.9 
1 1 1 26 13 33 o -1.510000      1.090000      68.16837      117.8  
1 1 1 26 13 34 o 1.567000       1.130000      122.2084      44.0   
1 1 1 26 13 35 o 0.7664000      1.158000      118.0636      -7.4   
1 1 1 26 13 36 o 1.507000       1.297000      137.8384      41.6   
1 1 1 26 13 37 o -0.7515000     1.302000      16.01527      -59.3  
1 1 1 26 13 38 o -0.1817000     1.392000      120.3903      -58.3  
1 1 1 26 13 39 o 2.379000       1.339000      185.6876      32.8   
1 1 1 26 13 40 o 0.5863000E-01  1.262000      164.1027      98.7   
1 1 1 26 13 41 o 1.943000       1.398000      93.53719      177.1  
1 1 1 26 13 42 o 1.682000       1.521000      214.0087      -164.8 
1 1 1 26 13 43 o 2.039000       1.407000      173.7956      -138.3 
1 1 1 26 13 44 o 2.279000       1.311000      82.37547      -134.4 
1 1 1 26 13 45 o 1.346000       1.338000      155.0339      -30.7  
1 1 1 26 13 46 o 0.2282000      1.346000      126.9660      95.2   
1 1 1 26 13 47 o 2.130000       1.487000      106.3213      18.4   
1 1 1 26 13 48 o 2.466000       1.616000      241.0559      99.4   
1 1 1 26 13 49 o 1.291000       1.433000      ?             ?      
1 1 1 26 13 50 o -0.7242000     1.233000      ?             ?      
1 1 1 26 13 51 o -0.6653000     1.212000      ?             ?      
1 1 1 26 13 52 o -0.8220000     1.211000      ?             ?      
1 1 1 26 13 53 o 2.058000       1.214000      ?             ?      
1 1 1 26 13 54 o -1.653000      1.188000      ?             ?      
1 1 1 26 13 55 o 0.9791000      1.199000      ?             ?      
1 1 1 26 13 56 o 0.5914000      1.203000      ?             ?      
1 1 1 26 13 57 o -0.1217000     1.369000      ?             ?      
1 1 1 26 13 58 o -0.5533000     1.439000      ?             ?      
1 1 1 26 13 59 o 0.2371000      1.304000      ?             ?      
1 1 1 26 13 60 o 0.6916000      1.314000      ?             ?      
1 1 1 26 13 61 o 0.3774000      1.421000      ?             ?      
1 1 1 26 13 62 o 0.9117000      1.345000      ?             ?      
1 1 1 26 13 63 o -0.3993000     1.431000      ?             ?      
1 1 1 26 13 64 o 1.512000       1.429000      ?             ?      
1 1 1 26 13 65 o -0.7856000     1.430000      ?             ?      
1 1 1 26 13 66 o 0.6041000      1.284000      ?             ?      
1 1 1 26 14 0  o -1.629000      1.548000      67.44717      -0.0   
1 1 1 26 14 1  o 1.315000       1.137000      61.04523      -116.5 
1 1 1 26 14 2  o 2.780000       1.150000      404.6367      -108.0 
1 1 1 26 14 3  o -1.383000      1.137000      51.47042      -77.1  
1 1 1 26 14 4  o 2.540000       1.105000      173.9646      -12.1  
1 1 1 26 14 5  o 0.9165000      1.093000      255.6498      72.6   
1 1 1 26 14 6  o 1.866000       1.191000      251.6365      141.3  
1 1 1 26 14 7  o 0.9249000      1.146000      116.1463      103.9  
1 1 1 26 14 8  o -1.194000      1.068000      182.6798      -172.5 
1 1 1 26 14 9  o 0.9340000      1.068000      39.04854      79.7   
1 1 1 26 14 10 o 7.503000       1.120000      431.3904      105.0  
1 1 1 26 14 11 o 0.9448000      1.102000      129.5285      114.7  
1 1 1 26 14 12 o 2.889000       1.102000      285.2165      -151.9 
1 1 1 26 14 13 o -1.160000      1.157000      136.0792      106.6  
1 1 1 26 14 14 o 8.841000       1.258000      549.4888      9.1    
1 1 1 26 14 15 o -0.3547000     1.067000      209.5060      -91.4  
1 1 1 26 14 16 o 3.292000       1.158000      283.1302      -11.8  
1 1 1 26 14 17 o 0.1303000      1.138000      118.2255      -145.6 
1 1 1 26 14 18 o -0.8059000     1.046000      29.18442      45.8   
1 1 1 26 14 19 o 5.456000       1.069000      390.1519      -98.6  
1 1 1 26 14 20 o 3.245000       1.056000      333.8652      -76.9  
1 1 1 26 14 21 o 1.085000       1.057000      244.4913      6.0    
1 1 1 26 14 22 o 6.268000       1.083000      252.7685      67.4   
1 1 1 26 14 23 o 3.585000       1.057000      341.0573      89.6   
1 1 1 26 14 24 o 3.686000       1.083000      475.4117      157.8  
1 1 1 26 14 25 o 1.329000       1.074000      166.5103      -71.2  
1 1 1 26 14 26 o 3.570000       1.176000      390.0828      91.7   
1 1 1 26 14 27 o 1.902000       1.215000      157.2430      -94.3  
1 1 1 26 14 28 o 3.012000       1.217000      219.7666      128.9  
1 1 1 26 14 29 o -0.8046000E-01 1.143000      72.96442      -168.1 
1 1 1 26 14 30 o 6.907000       1.108000      432.3945      67.6   
1 1 1 26 14 31 o 1.571000       1.112000      137.8243      -36.7  
1 1 1 26 14 32 o -1.327000      1.099000      166.1026      105.5  
1 1 1 26 14 33 o 6.753000       1.154000      257.8438      80.8   
1 1 1 26 14 34 o 3.122000       1.161000      320.4302      89.0   
1 1 1 26 14 35 o 10.04000       1.263000      496.3548      154.9  
1 1 1 26 14 36 o 3.479000       1.232000      259.0428      45.6   
1 1 1 26 14 37 o 4.868000       1.347000      204.1793      143.1  
1 1 1 26 14 38 o 1.024000       1.440000      283.8835      167.6  
1 1 1 26 14 39 o 1.730000       1.347000      301.9389      90.6   
1 1 1 26 14 40 o 1.117000       1.365000      135.3136      -92.8  
1 1 1 26 14 41 o 1.536000       1.410000      153.7509      -127.5 
1 1 1 26 14 42 o -0.3029000     1.434000      248.3936      66.2   
1 1 1 26 14 43 o 0.3610000      1.415000      247.8837      -44.8  
1 1 1 26 14 44 o 0.1219000      1.403000      198.5314      170.9  
1 1 1 26 14 45 o 1.769000       1.322000      205.2252      -137.8 
1 1 1 26 14 46 o 0.7744000      1.350000      103.2618      77.9   
1 1 1 26 14 47 o -0.5177000     1.471000      96.84015      -118.0 
1 1 1 26 14 48 o 3.144000       1.570000      152.3764      29.4   
1 1 1 26 14 49 o 2.954000       1.356000      ?             ?      
1 1 1 26 14 50 o 2.063000       1.218000      ?             ?      
1 1 1 26 14 51 o 1.074000       1.209000      ?             ?      
1 1 1 26 14 52 o 0.6797000      1.214000      ?             ?      
1 1 1 26 14 53 o 0.6211000      1.195000      ?             ?      
1 1 1 26 14 54 o 1.120000       1.204000      ?             ?      
1 1 1 26 14 55 o -0.7944000     1.186000      ?             ?      
1 1 1 26 14 56 o -0.4271000E-01 1.194000      ?             ?      
1 1 1 26 14 57 o -1.424000      1.350000      ?             ?      
1 1 1 26 14 58 o 0.1306000      1.374000      ?             ?      
1 1 1 26 14 59 o -0.3759000     1.320000      ?             ?      
1 1 1 26 14 60 o -0.6006000     1.331000      ?             ?      
1 1 1 26 14 61 o -0.4904000     1.305000      ?             ?      
1 1 1 26 14 62 o -0.5407000     1.462000      ?             ?      
1 1 1 26 14 63 o 0.9769000      1.472000      ?             ?      
1 1 1 26 14 64 o 2.409000       1.437000      ?             ?      
1 1 1 26 14 65 o -0.6577000     1.368000      ?             ?      
1 1 1 26 14 66 o -1.366000      1.271000      ?             ?      
1 1 1 26 15 0  o 8.400000       1.650000      725.8037      -0.0   
1 1 1 26 15 1  o 5.395000       1.177000      348.4340      -158.8 
1 1 1 26 15 2  o 17.17000       1.216000      625.2703      21.3   
1 1 1 26 15 3  o 6.659000       1.207000      482.0345      12.2   
1 1 1 26 15 4  o 7.696000       1.331000      378.6321      108.9  
1 1 1 26 15 5  o 3.377000       1.167000      140.6515      -35.4  
1 1 1 26 15 6  o 5.274000       1.097000      230.0752      152.6  
1 1 1 26 15 7  o 1.678000       1.059000      116.6155      175.2  
1 1 1 26 15 8  o 6.223000       1.102000      561.3409      164.3  
1 1 1 26 15 9  o 29.61000       1.509000      727.8914      -155.4 
1 1 1 26 15 10 o 4.290000       1.123000      298.2314      106.8  
1 1 1 26 15 11 o 1.851000       1.114000      239.0977      -48.8  
1 1 1 26 15 12 o 9.231000       1.157000      644.2266      -154.0 
1 1 1 26 15 13 o 12.16000       1.185000      497.7086      -134.1 
1 1 1 26 15 14 o 5.586000       1.249000      399.9653      -178.5 
1 1 1 26 15 15 o 6.941000       1.271000      524.8376      93.4   
1 1 1 26 15 16 o 6.714000       1.100000      350.5668      -68.1  
1 1 1 26 15 17 o 2.802000       1.084000      232.6886      -163.9 
1 1 1 26 15 18 o 0.2201000      1.064000      187.7572      -13.8  
1 1 1 26 15 19 o 5.295000       1.078000      417.4307      32.1   
1 1 1 26 15 20 o 5.257000       1.076000      351.5729      38.6   
1 1 1 26 15 21 o 7.657000       1.093000      403.8891      -155.7 
1 1 1 26 15 22 o 7.090000       1.110000      288.0408      160.2  
1 1 1 26 15 23 o 1.421000       1.052000      295.0736      -94.2  
1 1 1 26 15 24 o 5.969000       1.080000      251.1965      54.1   
1 1 1 26 15 25 o 6.348000       1.153000      473.0441      -102.3 
1 1 1 26 15 26 o 1.601000       1.176000      249.8505      57.9   
1 1 1 26 15 27 o 4.279000       1.289000      384.5621      -137.9 
1 1 1 26 15 28 o 3.218000       1.155000      191.5112      -173.2 
1 1 1 26 15 29 o 4.815000       1.124000      217.3429      -140.4 
1 1 1 26 15 30 o 1.838000       1.052000      151.9406      90.4   
1 1 1 26 15 31 o 3.091000       1.078000      317.2420      153.3  
1 1 1 26 15 32 o 4.165000       1.092000      203.4855      131.1  
1 1 1 26 15 33 o 1.265000       1.136000      88.34219      177.1  
1 1 1 26 15 34 o 1.300000       1.174000      173.3295      -80.6  
1 1 1 26 15 35 o 1.520000       1.223000      38.47736      -134.2 
1 1 1 26 15 36 o 10.68000       1.289000      429.5385      178.0  
1 1 1 26 15 37 o -0.8110000E-01 1.342000      88.69109      46.6   
1 1 1 26 15 38 o 4.351000       1.404000      388.0259      -147.6 
1 1 1 26 15 39 o 2.211000       1.373000      176.9683      9.1    
1 1 1 26 15 40 o 3.169000       1.378000      168.8832      132.9  
1 1 1 26 15 41 o 3.901000       1.306000      185.9196      115.2  
1 1 1 26 15 42 o 1.713000       1.438000      142.7998      -139.3 
1 1 1 26 15 43 o 6.094000       1.550000      278.2552      -176.0 
1 1 1 26 15 44 o 2.272000       1.412000      96.53638      18.8   
1 1 1 26 15 45 o -0.7627000E-01 1.313000      19.10531      -117.0 
1 1 1 26 15 46 o 1.158000       1.463000      100.9956      -173.7 
1 1 1 26 15 47 o 1.886000       1.589000      188.1250      156.6  
1 1 1 26 15 48 o -0.4974000     1.422000      ?             ?      
1 1 1 26 15 49 o 1.830000       1.239000      ?             ?      
1 1 1 26 15 50 o 2.051000       1.213000      ?             ?      
1 1 1 26 15 51 o 1.250000       1.208000      ?             ?      
1 1 1 26 15 52 o 1.008000       1.208000      ?             ?      
1 1 1 26 15 53 o -0.4706000     1.192000      ?             ?      
1 1 1 26 15 54 o 0.3826000      1.181000      ?             ?      
1 1 1 26 15 55 o 0.2401000E-01  1.190000      ?             ?      
1 1 1 26 15 56 o -0.4351000     1.195000      ?             ?      
1 1 1 26 15 57 o -0.8070000     1.201000      ?             ?      
1 1 1 26 15 58 o 0.7146000      1.379000      ?             ?      
1 1 1 26 15 59 o 3.013000       1.501000      ?             ?      
1 1 1 26 15 60 o 0.5637000      1.317000      ?             ?      
1 1 1 26 15 61 o -0.7094000     1.306000      ?             ?      
1 1 1 26 15 62 o 2.611000       1.761000      ?             ?      
1 1 1 26 15 63 o -1.266000      1.681000      ?             ?      
1 1 1 26 15 64 o 0.6955000E-02  1.434000      ?             ?      
1 1 1 26 15 65 o 1.890000       1.286000      ?             ?      
1 1 1 26 15 66 o 1.090000       1.289000      ?             ?      
1 1 1 26 16 0  o 0.3985000      1.695000      87.63359      -0.0   
1 1 1 26 16 1  o 21.05000       1.259000      589.8604      124.3  
1 1 1 26 16 2  o 8.139000       1.208000      408.9131      -118.8 
1 1 1 26 16 3  o 20.13000       1.276000      550.8801      109.9  
1 1 1 26 16 4  o 22.02000       1.222000      565.4139      110.0  
1 1 1 26 16 5  o 14.14000       1.141000      515.7414      -119.6 
1 1 1 26 16 6  o -0.8293000     1.063000      189.9220      -20.2  
1 1 1 26 16 7  o 11.98000       1.180000      465.5674      -151.2 
1 1 1 26 16 8  o 46.50000       2.216000      914.0888      -93.3  
1 1 1 26 16 9  o 0.3561000      1.077000      131.1344      -177.3 
1 1 1 26 16 10 o 7.922000       1.085000      478.1649      -0.3   
1 1 1 26 16 11 o -0.7209000     1.131000      111.4482      -53.6  
1 1 1 26 16 12 o 10.86000       1.194000      375.7354      -13.2  
1 1 1 26 16 13 o 3.888000       1.087000      390.0855      -129.3 
1 1 1 26 16 14 o 4.452000       1.117000      217.0099      -110.6 
1 1 1 26 16 15 o 0.5221000      1.135000      85.45817      -56.5  
1 1 1 26 16 16 o 2.214000       1.083000      151.6105      143.6  
1 1 1 26 16 17 o 2.790000       1.078000      291.0515      -43.6  
1 1 1 26 16 18 o 0.7034000      1.067000      144.7288      77.6   
1 1 1 26 16 19 o 9.638000       1.113000      382.6243      -156.4 
1 1 1 26 16 20 o 3.291000       1.068000      323.5197      104.3  
1 1 1 26 16 21 o 3.583000       1.071000      234.0089      -155.0 
1 1 1 26 16 22 o 3.722000       1.073000      139.8879      8.3    
1 1 1 26 16 23 o 27.21000       1.403000      629.1474      152.6  
1 1 1 26 16 24 o 0.8451000E-01  1.123000      84.97903      -23.2  
1 1 1 26 16 25 o 4.219000       1.130000      280.4911      106.1  
1 1 1 26 16 26 o 2.468000       1.263000      225.4471      109.6  
1 1 1 26 16 27 o -0.3701000     1.260000      36.44887      -120.6 
1 1 1 26 16 28 o 4.732000       1.427000      52.35342      -29.3  
1 1 1 26 16 29 o 0.6118000      1.030000      67.06838      165.4  
1 1 1 26 16 30 o 2.230000       1.052000      253.6837      80.4   
1 1 1 26 16 31 o 2.525000       1.077000      37.66278      2.5    
1 1 1 26 16 32 o 8.491000       1.136000      369.1892      158.1  
1 1 1 26 16 33 o 3.395000       1.141000      239.0099      49.0   
1 1 1 26 16 34 o 5.388000       1.370000      345.8226      -111.2 
1 1 1 26 16 35 o 27.24000       1.539000      634.2411      -137.8 
1 1 1 26 16 36 o 12.07000       1.306000      490.2503      51.3   
1 1 1 26 16 37 o 3.787000       1.390000      289.1381      -102.0 
1 1 1 26 16 38 o 8.832000       1.440000      428.3178      116.2  
1 1 1 26 16 39 o -0.9305000     1.489000      221.3978      16.7   
1 1 1 26 16 40 o 5.701000       1.379000      231.6974      -117.9 
1 1 1 26 16 41 o 4.281000       1.303000      344.7650      -127.0 
1 1 1 26 16 42 o 0.5847000      1.419000      102.2138      38.7   
1 1 1 26 16 43 o 1.782000       1.430000      171.6132      -52.6  
1 1 1 26 16 44 o 4.051000       1.416000      156.8569      -102.8 
1 1 1 26 16 45 o 2.853000       1.430000      261.8810      -32.3  
1 1 1 26 16 46 o 4.354000       1.484000      214.9072      -5.2   
1 1 1 26 16 47 o -0.6859000     1.558000      183.8590      46.6   
1 1 1 26 16 48 o 5.222000       1.438000      ?             ?      
1 1 1 26 16 49 o 1.366000       1.209000      ?             ?      
1 1 1 26 16 50 o 0.7717000      1.203000      ?             ?      
1 1 1 26 16 51 o 0.3596000      1.204000      ?             ?      
1 1 1 26 16 52 o -0.5407000     1.183000      ?             ?      
1 1 1 26 16 53 o 2.255000       1.191000      ?             ?      
1 1 1 26 16 54 o -0.4525000E-01 1.177000      ?             ?      
1 1 1 26 16 55 o 1.167000       1.201000      ?             ?      
1 1 1 26 16 56 o 1.843000       1.212000      ?             ?      
1 1 1 26 16 57 o 1.124000       1.209000      ?             ?      
1 1 1 26 16 58 o 0.1410000      1.377000      ?             ?      
1 1 1 26 16 59 o -0.3058000E-01 1.449000      ?             ?      
1 1 1 26 16 60 o 0.3954000      1.313000      ?             ?      
1 1 1 26 16 61 o -0.6114000     1.245000      ?             ?      
1 1 1 26 16 62 o 0.6824000      1.623000      ?             ?      
1 1 1 26 16 63 o 1.370000       1.581000      ?             ?      
1 1 1 26 16 64 o -0.3246000     1.402000      ?             ?      
1 1 1 26 16 65 o 0.9875000      1.280000      ?             ?      
1 1 1 26 17 0  o 1.243000       1.450000      250.7845      180.0  
1 1 1 26 17 1  o 31.60000       1.490000      738.6744      -29.5  
1 1 1 26 17 2  o 3.600000       1.199000      152.8529      -64.0  
1 1 1 26 17 3  o 15.20000       1.156000      765.3475      80.2   
1 1 1 26 17 4  o 4.640000       1.076000      340.1598      -37.3  
1 1 1 26 17 5  o 9.418000       1.196000      620.3369      -89.5  
1 1 1 26 17 6  o 14.18000       1.151000      499.9027      -16.6  
1 1 1 26 17 7  o 9.452000       1.083000      475.9582      19.1   
1 1 1 26 17 8  o 13.62000       1.210000      480.1501      -149.1 
1 1 1 26 17 9  o 17.94000       1.243000      625.9219      72.2   
1 1 1 26 17 10 o 5.249000       1.061000      215.5865      55.3   
1 1 1 26 17 11 o 3.480000       1.033000      122.4768      129.4  
1 1 1 26 17 12 o 22.79000       1.218000      748.7285      -133.6 
1 1 1 26 17 13 o 22.27000       1.216000      489.9521      159.3  
1 1 1 26 17 14 o 9.615000       1.188000      529.8939      -76.2  
1 1 1 26 17 15 o 11.72000       1.203000      607.2894      -107.9 
1 1 1 26 17 16 o 6.272000       1.170000      264.3458      -124.1 
1 1 1 26 17 17 o 20.50000       1.204000      466.4236      -145.8 
1 1 1 26 17 18 o 3.516000       1.075000      137.5943      174.5  
1 1 1 26 17 19 o 3.972000       1.072000      286.8369      -120.4 
1 1 1 26 17 20 o 4.789000       1.068000      287.6269      -41.8  
1 1 1 26 17 21 o 25.88000       1.261000      611.9170      177.7  
1 1 1 26 17 22 o 6.710000       1.076000      174.8894      -23.7  
1 1 1 26 17 23 o 0.8746000      1.061000      191.6517      -67.5  
1 1 1 26 17 24 o 6.026000       1.174000      308.6176      -82.4  
1 1 1 26 17 25 o 2.784000       1.261000      471.8947      -159.7 
1 1 1 26 17 26 o 3.877000       1.218000      381.8730      -164.9 
1 1 1 26 17 27 o 19.76000       1.359000      723.3165      -148.6 
1 1 1 26 17 28 o 1.054000       1.137000      162.4359      -91.4  
1 1 1 26 17 29 o 27.71000       1.292000      565.4078      -146.4 
1 1 1 26 17 30 o 0.5625000      1.052000      146.5372      150.4  
1 1 1 26 17 31 o 16.46000       1.195000      516.6284      -161.1 
1 1 1 26 17 32 o 8.267000       1.129000      398.6097      43.9   
1 1 1 26 17 33 o 22.67000       1.321000      563.0720      -32.7  
1 1 1 26 17 34 o 11.39000       1.224000      386.1706      -116.4 
1 1 1 26 17 35 o 0.5559000      1.199000      172.6245      -162.6 
1 1 1 26 17 36 o 9.265000       1.252000      401.0087      -112.4 
1 1 1 26 17 37 o -0.3248000     1.229000      46.83678      66.5   
1 1 1 26 17 38 o 2.343000       1.404000      150.2046      54.1   
1 1 1 26 17 39 o 5.820000       1.538000      393.8342      46.3   
1 1 1 26 17 40 o 0.5265000      1.375000      24.25627      151.5  
1 1 1 26 17 41 o 6.638000       1.427000      360.1950      -150.7 
1 1 1 26 17 42 o 2.493000       1.297000      173.6396      -95.9  
1 1 1 26 17 43 o 0.4932000      1.417000      13.58518      -12.9  
1 1 1 26 17 44 o 0.8156000      1.516000      163.6508      45.1   
1 1 1 26 17 45 o 3.821000       1.575000      296.5410      68.4   
1 1 1 26 17 46 o 4.486000       1.710000      209.3238      146.4  
1 1 1 26 17 47 o 2.511000       1.459000      ?             ?      
1 1 1 26 17 48 o 6.486000       1.284000      ?             ?      
1 1 1 26 17 49 o 2.485000       1.200000      ?             ?      
1 1 1 26 17 50 o 2.855000       1.198000      ?             ?      
1 1 1 26 17 51 o 4.383000       1.215000      ?             ?      
1 1 1 26 17 52 o 2.709000       1.194000      ?             ?      
1 1 1 26 17 53 o 0.2558000      1.171000      ?             ?      
1 1 1 26 17 54 o 0.9657000E-01  1.172000      ?             ?      
1 1 1 26 17 55 o 2.748000       1.194000      ?             ?      
1 1 1 26 17 56 o -1.215000      1.195000      ?             ?      
1 1 1 26 17 57 o 2.256000       1.223000      ?             ?      
1 1 1 26 17 58 o 2.457000       1.239000      ?             ?      
1 1 1 26 17 59 o 0.2078000      1.377000      ?             ?      
1 1 1 26 17 60 o 0.6488000      1.326000      ?             ?      
1 1 1 26 17 61 o 2.332000       1.636000      ?             ?      
1 1 1 26 17 62 o 2.209000       1.714000      ?             ?      
1 1 1 26 17 63 o -1.540000      1.700000      ?             ?      
1 1 1 26 17 64 o 0.9812000      1.407000      ?             ?      
1 1 1 26 17 65 o 1.519000       1.298000      ?             ?      
1 1 1 26 18 0  o 3.143000       1.438000      492.3139      -0.0   
1 1 1 26 18 1  o 2.584000       1.017000      344.0074      105.6  
1 1 1 26 18 2  o 18.25000       1.246000      716.7526      102.7  
1 1 1 26 18 3  o 0.7987000      1.123000      538.1677      97.4   
1 1 1 26 18 4  o 7.641000       1.248000      334.1779      -147.3 
1 1 1 26 18 5  o 2.981000       1.192000      266.0872      -21.9  
1 1 1 26 18 6  o 3.673000       1.065000      329.9246      11.6   
1 1 1 26 18 7  o 5.741000       1.087000      348.1344      -157.4 
1 1 1 26 18 8  o 25.73000       1.265000      682.4872      -126.6 
1 1 1 26 18 9  o 12.94000       1.151000      463.7008      120.0  
1 1 1 26 18 10 o 2.392000       1.061000      202.7452      -127.1 
1 1 1 26 18 11 o 14.93000       1.326000      444.5267      -25.3  
1 1 1 26 18 12 o 5.269000       1.063000      141.2526      -32.7  
1 1 1 26 18 13 o -1.470000      1.052000      100.7085      -161.2 
1 1 1 26 18 14 o 1.072000       1.083000      159.9242      -25.0  
1 1 1 26 18 15 o 21.05000       1.281000      718.0167      17.5   
1 1 1 26 18 16 o 22.73000       1.296000      549.2950      -75.3  
1 1 1 26 18 17 o 12.01000       1.205000      441.9201      -73.2  
1 1 1 26 18 18 o 0.5000000      1.052000      122.4139      128.2  
1 1 1 26 18 19 o 5.435000       1.079000      413.0515      -176.2 
1 1 1 26 18 20 o 13.81000       1.150000      500.7784      45.3   
1 1 1 26 18 21 o 1.484000       1.042000      204.1397      147.2  
1 1 1 26 18 22 o 4.762000       1.056000      205.9546      -0.7   
1 1 1 26 18 23 o 4.263000       1.144000      376.8145      94.3   
1 1 1 26 18 24 o 2.624000       1.160000      204.4716      -109.5 
1 1 1 26 18 25 o 6.653000       1.392000      275.0974      135.6  
1 1 1 26 18 26 o 13.85000       1.363000      451.0739      -96.3  
1 1 1 26 18 27 o 2.188000       1.130000      210.2464      37.4   
1 1 1 26 18 28 o 6.278000       1.073000      244.0507      31.0   
1 1 1 26 18 29 o 3.512000       1.081000      187.4234      -45.7  
1 1 1 26 18 30 o 21.88000       1.291000      609.3296      -85.2  
1 1 1 26 18 31 o 14.86000       1.213000      553.0216      90.1   
1 1 1 26 18 32 o 0.5486000      1.074000      45.81070      162.6  
1 1 1 26 18 33 o 14.24000       1.211000      497.0626      -89.7  
1 1 1 26 18 34 o -0.3684000     1.120000      34.48670      -176.5 
1 1 1 26 18 35 o 9.780000       1.229000      223.1767      -136.5 
1 1 1 26 18 36 o 8.401000       1.251000      328.2820      45.9   
1 1 1 26 18 37 o -0.1224000     1.215000      188.0955      -121.7 
1 1 1 26 18 38 o 8.482000       1.469000      482.6773      97.2   
1 1 1 26 18 39 o 5.687000       1.485000      332.7823      -110.1 
1 1 1 26 18 40 o 4.170000       1.569000      289.9669      -43.2  
1 1 1 26 18 41 o -0.6231000     1.389000      69.33719      -29.7  
1 1 1 26 18 42 o 3.566000       1.290000      209.0930      -6.9   
1 1 1 26 18 43 o -1.027000      1.407000      67.37669      97.5   
1 1 1 26 18 44 o 2.499000       1.424000      168.7818      100.9  
1 1 1 26 18 45 o 2.192000       1.563000      302.1541      -27.0  
1 1 1 26 18 46 o 5.514000       1.667000      299.6330      -5.3   
1 1 1 26 18 47 o 5.823000       1.452000      ?             ?      
1 1 1 26 18 48 o 3.100000       1.235000      ?             ?      
1 1 1 26 18 49 o 2.660000       1.192000      ?             ?      
1 1 1 26 18 50 o 1.364000       1.188000      ?             ?      
1 1 1 26 18 51 o -0.8033000     1.178000      ?             ?      
1 1 1 26 18 52 o 2.720000       1.286000      ?             ?      
1 1 1 26 18 53 o 0.5345000      1.164000      ?             ?      
1 1 1 26 18 54 o 2.607000       1.175000      ?             ?      
1 1 1 26 18 55 o 0.6884000      1.178000      ?             ?      
1 1 1 26 18 56 o 4.424000       1.223000      ?             ?      
1 1 1 26 18 57 o 0.1485000      1.216000      ?             ?      
1 1 1 26 18 58 o -0.7015000     1.205000      ?             ?      
1 1 1 26 18 59 o 3.670000       1.395000      ?             ?      
1 1 1 26 18 60 o 0.8459000      1.489000      ?             ?      
1 1 1 26 18 61 o 1.025000       1.607000      ?             ?      
1 1 1 26 18 62 o 0.4921000      1.424000      ?             ?      
1 1 1 26 18 63 o 1.188000       1.565000      ?             ?      
1 1 1 26 18 64 o 1.094000       1.415000      ?             ?      
1 1 1 26 18 65 o 1.921000       1.301000      ?             ?      
1 1 1 26 19 0  o 0.2586000      1.926000      159.6723      180.0  
1 1 1 26 19 1  o 30.38000       1.465000      866.0658      168.6  
1 1 1 26 19 2  o 3.407000       1.001000      295.2599      -165.7 
1 1 1 26 19 3  o 21.08000       1.284000      824.2560      -36.9  
1 1 1 26 19 4  o 34.69000       1.381000      913.7084      -37.3  
1 1 1 26 19 5  o 17.95000       1.139000      744.4328      1.3    
1 1 1 26 19 6  o 4.080000       1.029000      157.3409      73.0   
1 1 1 26 19 7  o 9.329000       1.229000      365.1895      -21.5  
1 1 1 26 19 8  o -0.1637000     1.192000      86.41528      -75.0  
1 1 1 26 19 9  o 11.77000       1.124000      482.4001      17.0   
1 1 1 26 19 10 o 4.850000       1.079000      345.6981      78.5   
1 1 1 26 19 11 o 28.05000       1.306000      640.1961      -5.5   
1 1 1 26 19 12 o 10.47000       1.111000      573.1566      137.2  
1 1 1 26 19 13 o 2.048000       1.061000      264.1383      152.0  
1 1 1 26 19 14 o 21.59000       1.257000      442.3131      -39.4  
1 1 1 26 19 15 o 11.34000       1.196000      459.2615      -71.8  
1 1 1 26 19 16 o 1.373000       1.115000      32.84989      -150.6 
1 1 1 26 19 17 o 1.750000       1.134000      286.9277      -102.2 
1 1 1 26 19 18 o 3.508000       1.179000      185.2789      177.7  
1 1 1 26 19 19 o 16.24000       1.201000      580.1392      -96.7  
1 1 1 26 19 20 o 1.927000       1.056000      267.4634      124.8  
1 1 1 26 19 21 o 8.712000       1.083000      209.4989      132.7  
1 1 1 26 19 22 o 2.478000       1.051000      158.6687      -151.2 
1 1 1 26 19 23 o 2.255000       1.109000      196.2142      19.3   
1 1 1 26 19 24 o 11.51000       1.299000      355.9276      -131.3 
1 1 1 26 19 25 o 6.137000       1.198000      439.2481      -102.1 
1 1 1 26 19 26 o 14.34000       1.292000      506.9178      -145.8 
1 1 1 26 19 27 o 7.220000       1.131000      345.7953      -141.5 
1 1 1 26 19 28 o 3.312000       1.041000      234.3345      -93.1  
1 1 1 26 19 29 o 5.569000       1.079000      320.7457      -173.6 
1 1 1 26 19 30 o 8.129000       1.108000      380.2865      140.3  
1 1 1 26 19 31 o 2.328000       1.048000      241.0490      -39.9  
1 1 1 26 19 32 o 2.376000       1.053000      220.8713      46.7   
1 1 1 26 19 33 o 0.2814000      1.084000      164.6778      25.5   
1 1 1 26 19 34 o 1.652000       1.113000      115.0231      115.3  
1 1 1 26 19 35 o 4.567000       1.161000      114.2933      -105.0 
1 1 1 26 19 36 f 3.628000       1.222000      321.8347      -103.4 
1 1 1 26 19 37 o 0.2038000      1.228000      207.7210      100.6  
1 1 1 26 19 38 o 26.41000       1.673000      682.8782      43.3   
1 1 1 26 19 39 o 0.5298000      1.461000      87.49805      128.0  
1 1 1 26 19 40 o 6.926000       1.608000      321.4646      -120.4 
1 1 1 26 19 41 o 5.676000       1.423000      291.9593      163.6  
1 1 1 26 19 42 o 0.9323000      1.288000      184.5719      -84.0  
1 1 1 26 19 43 o 7.049000       1.312000      356.2406      -142.3 
1 1 1 26 19 44 o 1.733000       1.605000      176.9871      38.2   
1 1 1 26 19 45 o 11.11000       2.179000      500.6298      93.2   
1 1 1 26 19 46 o 0.5016000      1.574000      ?             ?      
1 1 1 26 19 47 o 2.940000       1.277000      ?             ?      
1 1 1 26 19 48 o 0.1210000      1.206000      ?             ?      
1 1 1 26 19 49 o 0.8877000      1.184000      ?             ?      
1 1 1 26 19 50 o -0.7914000     1.176000      ?             ?      
1 1 1 26 19 51 o 1.529000       1.169000      ?             ?      
1 1 1 26 19 52 o 2.339000       1.179000      ?             ?      
1 1 1 26 19 53 o 0.8247000E-01  1.158000      ?             ?      
1 1 1 26 19 54 o -0.4722000     1.152000      ?             ?      
1 1 1 26 19 55 o 2.798000       1.186000      ?             ?      
1 1 1 26 19 56 o 1.910000       1.215000      ?             ?      
1 1 1 26 19 57 o 1.489000       1.211000      ?             ?      
1 1 1 26 19 58 o 2.256000       1.213000      ?             ?      
1 1 1 26 19 59 o -2.112000      1.392000      ?             ?      
1 1 1 26 19 60 o 3.269000       1.690000      ?             ?      
1 1 1 26 19 61 o 0.4012000      1.688000      ?             ?      
1 1 1 26 19 62 o 2.583000       1.427000      ?             ?      
1 1 1 26 19 63 o 1.187000       1.404000      ?             ?      
1 1 1 26 19 64 o 1.615000       1.492000      ?             ?      
1 1 1 26 20 0  o 5.581000       1.651000      561.4010      -0.0   
1 1 1 26 20 1  o 1.510000       1.101000      111.1544      -75.8  
1 1 1 26 20 2  o 16.82000       1.125000      570.7986      -2.4   
1 1 1 26 20 3  o 3.370000       1.420000      326.0518      89.2   
1 1 1 26 20 4  o 11.16000       1.257000      476.1428      60.0   
1 1 1 26 20 5  o -0.1800000E-01 1.005000      48.11785      152.2  
1 1 1 26 20 6  o 4.860000       1.033000      480.6815      62.2   
1 1 1 26 20 7  o 6.774000       1.051000      416.0744      -171.2 
1 1 1 26 20 8  o 21.82000       1.216000      623.8897      111.5  
1 1 1 26 20 9  o 7.184000       1.075000      502.3574      115.8  
1 1 1 26 20 10 o 10.41000       1.288000      471.9880      76.5   
1 1 1 26 20 11 o 14.61000       1.318000      566.3798      -116.9 
1 1 1 26 20 12 o 5.695000       1.066000      205.5437      143.3  
1 1 1 26 20 13 o 10.70000       1.165000      249.4479      71.9   
1 1 1 26 20 14 o 19.18000       1.265000      594.9469      -39.2  
1 1 1 26 20 15 o 16.28000       1.275000      427.5268      19.0   
1 1 1 26 20 16 o 0.7755000      1.115000      57.68008      -6.1   
1 1 1 26 20 17 o 9.673000       1.185000      304.2550      158.1  
1 1 1 26 20 18 o 2.358000       1.107000      137.3585      -5.5   
1 1 1 26 20 19 o 3.514000       1.198000      264.7559      157.2  
1 1 1 26 20 20 o 41.56000       1.501000      920.8721      55.6   
1 1 1 26 20 21 o 1.960000       1.048000      238.5618      -100.9 
1 1 1 26 20 22 o 20.76000       1.279000      628.2319      63.1   
1 1 1 26 20 23 o 2.800000       1.104000      79.02320      -69.7  
1 1 1 26 20 24 o 7.590000       1.165000      298.2558      118.7  
1 1 1 26 20 25 o 5.606000       1.242000      430.9519      -0.9   
1 1 1 26 20 26 o 16.89000       1.241000      648.1732      -13.4  
1 1 1 26 20 27 o 6.589000       1.059000      238.7883      -6.5   
1 1 1 26 20 28 o -0.8031000E-01 1.014000      9.386039      -66.4  
1 1 1 26 20 29 o 5.432000       1.064000      362.3192      -133.4 
1 1 1 26 20 30 o 13.94000       1.145000      503.4081      -98.2  
1 1 1 26 20 31 o 8.616000       1.093000      480.6692      63.6   
1 1 1 26 20 32 o -0.1555000     1.048000      49.25451      140.6  
1 1 1 26 20 33 o 2.901000       1.080000      401.6044      98.6   
1 1 1 26 20 34 o 16.09000       1.211000      501.0371      120.6  
1 1 1 26 20 35 o 10.59000       1.195000      432.4160      -147.4 
1 1 1 26 20 36 o 6.555000       1.194000      453.9648      60.5   
1 1 1 26 20 37 o 4.813000       1.264000      257.7851      -154.6 
1 1 1 26 20 38 o 4.409000       1.289000      248.5652      111.0  
1 1 1 26 20 39 o 2.034000       1.473000      254.3856      82.3   
1 1 1 26 20 40 o 5.657000       1.588000      433.6388      11.2   
1 1 1 26 20 41 o 0.6220000      1.376000      183.6752      -92.4  
1 1 1 26 20 42 o 9.024000       1.442000      441.0398      -45.4  
1 1 1 26 20 43 o 4.980000       1.280000      385.3341      115.3  
1 1 1 26 20 44 o -0.2262000     1.604000      101.4727      -54.1  
1 1 1 26 20 45 o 3.893000       1.963000      327.1942      11.9   
1 1 1 26 20 46 o 1.593000       1.597000      ?             ?      
1 1 1 26 20 47 o 5.763000       1.370000      ?             ?      
1 1 1 26 20 48 o 0.9258000E-02  1.204000      ?             ?      
1 1 1 26 20 49 o 1.530000       1.177000      ?             ?      
1 1 1 26 20 50 o 9.049000       1.234000      ?             ?      
1 1 1 26 20 51 o 0.4129000E-01  1.165000      ?             ?      
1 1 1 26 20 52 o 2.787000       1.187000      ?             ?      
1 1 1 26 20 53 o 1.243000       1.172000      ?             ?      
1 1 1 26 20 54 o 3.462000       1.174000      ?             ?      
1 1 1 26 20 55 o 2.603000       1.195000      ?             ?      
1 1 1 26 20 56 o 0.3142000      1.193000      ?             ?      
1 1 1 26 20 57 o 4.530000       1.223000      ?             ?      
1 1 1 26 20 58 o -0.5977000     1.194000      ?             ?      
1 1 1 26 20 59 o 0.1996000      1.229000      ?             ?      
1 1 1 26 20 60 o 1.840000       1.699000      ?             ?      
1 1 1 26 20 61 o -0.4185000     1.600000      ?             ?      
1 1 1 26 20 62 o 0.1023000      1.608000      ?             ?      
1 1 1 26 20 63 o 2.399000       1.291000      ?             ?      
1 1 1 26 20 64 o -0.1250000     1.384000      ?             ?      
1 1 1 26 21 0  o 0.6107000      1.366000      11.84533      0.0    
1 1 1 26 21 1  o 12.83000       1.056000      532.3674      112.0  
1 1 1 26 21 2  o 2.338000       1.079000      249.2973      20.9   
1 1 1 26 21 3  o 11.22000       1.193000      398.3529      49.2   
1 1 1 26 21 4  o 4.257000       1.047000      315.0976      -125.3 
1 1 1 26 21 5  o 8.823000       1.302000      534.1972      158.4  
1 1 1 26 21 6  o 10.14000       1.328000      395.7911      -86.2  
1 1 1 26 21 7  o 0.6349000      1.078000      244.5305      -178.2 
1 1 1 26 21 8  o 3.917000       1.061000      412.1910      -41.5  
1 1 1 26 21 9  o -0.3586000     1.050000      133.7490      98.7   
1 1 1 26 21 10 o 9.403000       1.101000      413.2105      19.0   
1 1 1 26 21 11 o 0.6451000      1.043000      94.37476      167.0  
1 1 1 26 21 12 o 0.7506000      1.067000      105.5981      2.8    
1 1 1 26 21 13 o 12.66000       1.374000      478.1664      35.4   
1 1 1 26 21 14 o -0.5645000     1.289000      325.3556      14.6   
1 1 1 26 21 15 o 14.55000       1.257000      587.4523      -76.0  
1 1 1 26 21 16 o 1.789000       1.166000      210.4055      -173.3 
1 1 1 26 21 17 o 1.142000       1.154000      190.6752      -95.5  
1 1 1 26 21 18 o 1.081000       1.132000      104.2199      135.4  
1 1 1 26 21 19 o 4.858000       1.142000      173.5702      166.0  
1 1 1 26 21 20 o 7.733000       1.230000      534.3836      146.7  
1 1 1 26 21 21 o 8.467000       1.341000      242.0521      125.6  
1 1 1 26 21 22 o 3.678000       1.147000      134.3506      40.5   
1 1 1 26 21 23 o 9.600000       1.299000      416.6884      76.6   
1 1 1 26 21 24 o 3.964000       1.141000      293.5937      22.2   
1 1 1 26 21 25 o -0.8773000E-01 1.123000      41.98900      -0.4   
1 1 1 26 21 26 o 1.830000       1.102000      299.2964      52.6   
1 1 1 26 21 27 o 9.034000       1.087000      497.8594      -159.6 
1 1 1 26 21 28 o 1.032000       1.027000      62.06273      7.9    
1 1 1 26 21 29 o 15.87000       1.123000      402.5472      94.6   
1 1 1 26 21 30 o 2.283000       1.028000      239.3464      107.1  
1 1 1 26 21 31 o 3.121000       1.064000      190.4232      22.1   
1 1 1 26 21 32 o 26.39000       1.476000      704.9720      159.6  
1 1 1 26 21 33 o 0.6255000      1.064000      94.26551      -115.0 
1 1 1 26 21 34 o 4.223000       1.092000      302.8681      113.0  
1 1 1 26 21 35 o 12.36000       1.193000      359.5941      -83.8  
1 1 1 26 21 36 o 6.841000       1.206000      405.3327      161.3  
1 1 1 26 21 37 o 18.03000       1.332000      613.0531      133.0  
1 1 1 26 21 38 o 11.65000       1.300000      397.6402      89.5   
1 1 1 26 21 39 o 11.29000       1.530000      300.8220      167.9  
1 1 1 26 21 40 o 0.8923000      1.452000      32.73079      -26.0  
1 1 1 26 21 41 o 4.011000       1.557000      130.7984      151.9  
1 1 1 26 21 42 o 10.95000       1.426000      451.1071      -119.5 
1 1 1 26 21 43 o 1.346000       1.368000      21.38600      -72.8  
1 1 1 26 21 44 o -1.720000      1.470000      114.9006      106.0  
1 1 1 26 21 45 o 4.494000       1.613000      ?             ?      
1 1 1 26 21 46 o 6.275000       1.484000      ?             ?      
1 1 1 26 21 47 o 0.1232000E-01  1.327000      ?             ?      
1 1 1 26 21 48 o -0.6797000     1.218000      ?             ?      
1 1 1 26 21 49 o 0.9026000      1.189000      ?             ?      
1 1 1 26 21 50 o -0.6232000     1.163000      ?             ?      
1 1 1 26 21 51 o 4.084000       1.187000      ?             ?      
1 1 1 26 21 52 o 0.1548000      1.163000      ?             ?      
1 1 1 26 21 53 o 3.369000       1.183000      ?             ?      
1 1 1 26 21 54 o -0.2994000     1.173000      ?             ?      
1 1 1 26 21 55 o 1.494000       1.180000      ?             ?      
1 1 1 26 21 56 o 2.088000       1.191000      ?             ?      
1 1 1 26 21 57 o 0.4515000E-01  1.191000      ?             ?      
1 1 1 26 21 58 o -0.5241000     1.196000      ?             ?      
1 1 1 26 21 59 o 1.893000       1.390000      ?             ?      
1 1 1 26 21 60 o 0.9967000      1.686000      ?             ?      
1 1 1 26 21 61 o 0.7206000      1.799000      ?             ?      
1 1 1 26 21 62 o 4.103000       1.386000      ?             ?      
1 1 1 26 21 63 o 1.428000       1.390000      ?             ?      
1 1 1 26 21 64 o 5.505000       3.189000      ?             ?      
1 1 1 26 22 0  o -0.4295000     1.378000      300.9601      0.0    
1 1 1 26 22 1  o 13.17000       1.058000      726.2881      -99.6  
1 1 1 26 22 2  o 7.978000       1.011000      450.7120      -69.3  
1 1 1 26 22 3  o 2.151000       0.9545000     284.0634      77.8   
1 1 1 26 22 4  o 3.485000       1.022000      313.1402      -66.4  
1 1 1 26 22 5  o 16.73000       1.219000      622.0548      -60.1  
1 1 1 26 22 6  o 3.147000       1.079000      222.5836      -87.5  
1 1 1 26 22 7  o 24.20000       1.399000      627.6964      38.1   
1 1 1 26 22 8  o 7.450000       1.384000      278.7217      63.0   
1 1 1 26 22 9  o 13.51000       1.360000      583.5806      70.9   
1 1 1 26 22 10 o -0.6516000     1.060000      201.3886      -137.6 
1 1 1 26 22 11 o 0.5878000      1.063000      180.5029      137.0  
1 1 1 26 22 12 o 0.4795000      1.066000      158.3887      -13.0  
1 1 1 26 22 13 o 10.65000       1.158000      412.6089      72.9   
1 1 1 26 22 14 o 1.883000       1.085000      103.9933      81.2   
1 1 1 26 22 15 o 7.911000       1.459000      517.1276      61.4   
1 1 1 26 22 16 o 1.543000       1.395000      103.6432      17.2   
1 1 1 26 22 17 o 19.13000       1.602000      588.6240      143.5  
1 1 1 26 22 18 o 11.58000       1.248000      310.5998      -46.6  
1 1 1 26 22 19 o 4.082000       1.161000      323.0160      141.6  
1 1 1 26 22 20 o 6.858000       1.205000      487.1308      70.5   
1 1 1 26 22 21 o 9.799000       1.215000      472.3940      116.3  
1 1 1 26 22 22 o 21.37000       1.412000      697.6127      88.0   
1 1 1 26 22 23 o 5.624000       1.242000      305.8460      -140.5 
1 1 1 26 22 24 o 19.92000       1.446000      668.3495      69.1   
1 1 1 26 22 25 o 9.648000       1.155000      525.2373      -0.3   
1 1 1 26 22 26 o 3.177000       1.033000      298.1688      -68.2  
1 1 1 26 22 27 o 7.615000       1.069000      401.3568      -154.9 
1 1 1 26 22 28 o 8.927000       1.056000      349.8079      163.5  
1 1 1 26 22 29 o 8.817000       1.056000      477.6467      137.3  
1 1 1 26 22 30 o 4.526000       1.041000      410.9982      -54.5  
1 1 1 26 22 31 o 6.438000       1.098000      446.9311      89.5   
1 1 1 26 22 32 o 5.054000       1.112000      274.0544      140.0  
1 1 1 26 22 33 o 16.46000       1.235000      409.1960      -171.7 
1 1 1 26 22 34 o 1.584000       1.063000      209.1375      165.6  
1 1 1 26 22 35 o 3.192000       1.096000      296.0160      -166.0 
1 1 1 26 22 36 o 2.948000       1.155000      246.8434      112.6  
1 1 1 26 22 37 o 29.16000       1.738000      818.2786      -114.3 
1 1 1 26 22 38 o 7.612000       1.201000      316.3741      31.8   
1 1 1 26 22 39 o 4.586000       1.434000      349.3229      116.7  
1 1 1 26 22 40 o 0.6730000      1.428000      228.9124      57.5   
1 1 1 26 22 41 o 9.786000       1.614000      363.9254      -34.3  
1 1 1 26 22 42 o 4.495000       1.409000      312.0951      -21.9  
1 1 1 26 22 43 o 2.875000       1.373000      195.7317      98.0   
1 1 1 26 22 44 o 0.9584000      1.477000      ?             ?      
1 1 1 26 22 45 o 0.5064000      1.402000      ?             ?      
1 1 1 26 22 46 o 5.814000       1.353000      ?             ?      
1 1 1 26 22 47 o 6.248000       1.474000      ?             ?      
1 1 1 26 22 48 o 5.078000       1.323000      ?             ?      
1 1 1 26 22 49 o -0.1027000     1.188000      ?             ?      
1 1 1 26 22 50 o 1.927000       1.185000      ?             ?      
1 1 1 26 22 51 o 6.068000       1.211000      ?             ?      
1 1 1 26 22 52 o 5.532000       1.198000      ?             ?      
1 1 1 26 22 53 o 1.093000       1.179000      ?             ?      
1 1 1 26 22 54 o 0.2184000      1.169000      ?             ?      
1 1 1 26 22 55 o -0.8257000E-01 1.161000      ?             ?      
1 1 1 26 22 56 o 1.330000       1.186000      ?             ?      
1 1 1 26 22 57 o 3.630000       1.199000      ?             ?      
1 1 1 26 22 58 o 0.9122000      1.210000      ?             ?      
1 1 1 26 22 59 o 0.6974000      1.376000      ?             ?      
1 1 1 26 22 60 o -0.6320000     1.685000      ?             ?      
1 1 1 26 22 61 o 3.433000       2.239000      ?             ?      
1 1 1 26 22 62 o 2.381000       1.553000      ?             ?      
1 1 1 26 22 63 o -1.551000      1.385000      ?             ?      
1 1 1 26 23 0  o 15.72000       1.933000      578.1360      -0.0   
1 1 1 26 23 1  o 5.767000       0.9921000     270.1708      100.3  
1 1 1 26 23 2  o 3.076000       0.9523000     271.3392      -168.0 
1 1 1 26 23 3  o -0.1164000     0.9397000     112.6899      -22.4  
1 1 1 26 23 4  o -0.6418000     0.9992000     87.12691      117.5  
1 1 1 26 23 5  o 14.21000       1.155000      565.9870      81.8   
1 1 1 26 23 6  o 18.32000       1.204000      558.6593      25.3   
1 1 1 26 23 7  o 11.39000       1.145000      419.4344      169.4  
1 1 1 26 23 8  o 17.17000       1.199000      552.6432      154.3  
1 1 1 26 23 9  o 1.919000       1.057000      234.5808      156.6  
1 1 1 26 23 10 o 6.497000       1.135000      315.3534      28.3   
1 1 1 26 23 11 o 4.687000       1.312000      216.8563      -31.6  
1 1 1 26 23 12 o 10.64000       1.291000      561.6710      -173.6 
1 1 1 26 23 13 o 20.19000       1.342000      619.2346      79.9   
1 1 1 26 23 14 o 3.624000       1.101000      155.8484      132.3  
1 1 1 26 23 15 o 18.28000       1.313000      683.4688      -135.3 
1 1 1 26 23 16 o 18.32000       1.330000      494.0586      -177.6 
1 1 1 26 23 17 o 3.088000       1.204000      286.9563      -70.2  
1 1 1 26 23 18 o 10.40000       1.487000      647.2795      -170.6 
1 1 1 26 23 19 o 12.34000       1.531000      598.2530      150.9  
1 1 1 26 23 20 o 18.50000       1.542000      697.0991      153.9  
1 1 1 26 23 21 o 2.006000       1.330000      367.3964      101.1  
1 1 1 26 23 22 o 6.547000       1.308000      245.4653      106.5  
1 1 1 26 23 23 o 10.86000       1.273000      420.5294      106.8  
1 1 1 26 23 24 o 11.39000       1.277000      323.6822      40.5   
1 1 1 26 23 25 o 7.430000       1.162000      407.0791      104.7  
1 1 1 26 23 26 o 1.429000       1.020000      314.0831      91.4   
1 1 1 26 23 27 o 3.416000       1.031000      270.4607      -177.7 
1 1 1 26 23 28 o 5.943000       1.040000      346.9334      126.3  
1 1 1 26 23 29 o 13.28000       1.105000      454.3056      114.1  
1 1 1 26 23 30 o 6.903000       1.126000      381.5670      -17.4  
1 1 1 26 23 31 o 7.433000       1.116000      341.4806      -0.8   
1 1 1 26 23 32 o 26.30000       1.570000      688.8967      -170.8 
1 1 1 26 23 33 o 5.420000       1.075000      256.1687      -48.0  
1 1 1 26 23 34 o 0.1918000      1.062000      98.92992      -48.4  
1 1 1 26 23 35 o 7.018000       1.106000      428.4759      -131.2 
1 1 1 26 23 36 o 1.777000       1.102000      268.1970      69.4   
1 1 1 26 23 37 o 20.00000       1.345000      598.7224      113.1  
1 1 1 26 23 38 o -0.6721000     1.126000      38.34621      90.3   
1 1 1 26 23 39 o 1.233000       1.162000      144.6880      112.0  
1 1 1 26 23 40 o -0.8762000     1.379000      203.5936      -164.5 
1 1 1 26 23 41 o 10.49000       1.621000      491.6895      154.0  
1 1 1 26 23 42 o 1.097000       1.405000      141.3453      -101.4 
1 1 1 26 23 43 o 4.850000       1.799000      289.6644      32.9   
1 1 1 26 23 44 o 12.00000       1.443000      ?             ?      
1 1 1 26 23 45 o 1.229000       1.206000      ?             ?      
1 1 1 26 23 46 o -0.7209000     1.297000      ?             ?      
1 1 1 26 23 47 o 4.093000       1.422000      ?             ?      
1 1 1 26 23 48 o 7.168000       1.341000      ?             ?      
1 1 1 26 23 49 o 2.363000       1.290000      ?             ?      
1 1 1 26 23 50 o 3.443000       1.188000      ?             ?      
1 1 1 26 23 51 o -0.5718000     1.168000      ?             ?      
1 1 1 26 23 52 o 2.289000       1.166000      ?             ?      
1 1 1 26 23 53 o 0.3901000      1.166000      ?             ?      
1 1 1 26 23 54 o 3.563000       1.188000      ?             ?      
1 1 1 26 23 55 o 1.600000       1.168000      ?             ?      
1 1 1 26 23 56 o 1.438000       1.188000      ?             ?      
1 1 1 26 23 57 o -1.270000      1.167000      ?             ?      
1 1 1 26 23 58 o 1.498000       1.365000      ?             ?      
1 1 1 26 23 59 o -0.3170000     1.537000      ?             ?      
1 1 1 26 23 60 o 0.9922000      1.573000      ?             ?      
1 1 1 26 23 61 f -0.2430000     2.080000      ?             ?      
1 1 1 26 23 62 o 1.646000       1.386000      ?             ?      
1 1 1 26 23 63 o 2.025000       1.398000      ?             ?      
1 1 1 26 24 0  o 2.819000       1.338000      322.0996      -0.0   
1 1 1 26 24 1  o 16.63000       1.040000      664.2828      -87.8  
1 1 1 26 24 2  o -0.2305000     0.9233000     17.86928      26.0   
1 1 1 26 24 3  o 4.180000       0.9422000     154.8179      148.3  
1 1 1 26 24 4  o 2.408000       1.021000      285.9625      -119.9 
1 1 1 26 24 5  o 7.337000       1.099000      402.8212      -21.1  
1 1 1 26 24 6  o 5.344000       1.054000      382.6615      -125.9 
1 1 1 26 24 7  o 1.720000       1.004000      157.3308      -1.4   
1 1 1 26 24 8  o 0.9509000      1.006000      203.6028      -89.1  
1 1 1 26 24 9  o 1.019000       1.027000      250.3539      84.5   
1 1 1 26 24 10 o 3.738000       1.087000      342.0893      -40.7  
1 1 1 26 24 11 o -1.349000      1.054000      49.63077      -30.5  
1 1 1 26 24 12 o 3.324000       1.107000      274.1988      -140.4 
1 1 1 26 24 13 o 0.5468000E-01  1.105000      34.48055      -132.4 
1 1 1 26 24 14 o 4.111000       1.282000      208.9835      -138.1 
1 1 1 26 24 15 o -0.4381000     1.303000      140.2737      -9.9   
1 1 1 26 24 16 f -0.6192000     1.167000      150.3764      -29.1  
1 1 1 26 24 17 o 4.459000       1.183000      378.4906      175.5  
1 1 1 26 24 18 o 1.008000       1.165000      234.7196      -63.1  
1 1 1 26 24 19 o -2.480000      1.203000      66.90826      -122.5 
1 1 1 26 24 20 o 4.969000       1.464000      339.8203      117.0  
1 1 1 26 24 21 o 4.620000       2.050000      374.7375      -147.7 
1 1 1 26 24 22 o 2.306000       1.495000      75.85153      -80.9  
1 1 1 26 24 23 o 7.601000       1.597000      464.6625      -161.7 
1 1 1 26 24 24 o 7.760000       1.201000      440.5155      86.9   
1 1 1 26 24 25 o 4.697000       1.193000      314.6720      -151.6 
1 1 1 26 24 26 o 10.02000       1.149000      495.6150      -138.5 
1 1 1 26 24 27 o 20.82000       1.406000      653.6356      -175.7 
1 1 1 26 24 28 o 6.634000       1.064000      475.2360      120.4  
1 1 1 26 24 29 o 3.606000       1.048000      372.8602      60.8   
1 1 1 26 24 30 o 1.539000       1.052000      293.2641      24.7   
1 1 1 26 24 31 o 6.991000       1.105000      452.5707      129.4  
1 1 1 26 24 32 o 1.327000       1.052000      243.2291      -141.6 
1 1 1 26 24 33 o 4.967000       1.068000      200.3947      -101.8 
1 1 1 26 24 34 o 0.3186000      1.049000      61.09639      -16.0  
1 1 1 26 24 35 o 2.464000       1.097000      284.7274      100.0  
1 1 1 26 24 36 o 7.086000       1.140000      408.0149      -132.8 
1 1 1 26 24 37 o 2.659000       1.128000      295.7261      -30.6  
1 1 1 26 24 38 o 3.907000       1.133000      214.7961      127.0  
1 1 1 26 24 39 o 1.502000       1.130000      123.2499      85.0   
1 1 1 26 24 40 o 0.9191000      1.382000      207.5454      -65.6  
1 1 1 26 24 41 o 7.749000       1.556000      410.7397      -56.9  
1 1 1 26 24 42 o -2.471000      1.751000      74.64471      -114.9 
1 1 1 26 24 43 o 0.8957000      1.794000      ?             ?      
1 1 1 26 24 44 o 0.7464000      1.254000      ?             ?      
1 1 1 26 24 45 o 4.100000       1.198000      ?             ?      
1 1 1 26 24 46 o 5.135000       1.313000      ?             ?      
1 1 1 26 24 47 o 2.965000       1.294000      ?             ?      
1 1 1 26 24 48 o 3.823000       1.393000      ?             ?      
1 1 1 26 24 49 o 4.105000       1.290000      ?             ?      
1 1 1 26 24 50 o 0.8906000      1.148000      ?             ?      
1 1 1 26 24 51 o -0.4519000     1.161000      ?             ?      
1 1 1 26 24 52 o 2.443000       1.174000      ?             ?      
1 1 1 26 24 53 o -1.892000      1.156000      ?             ?      
1 1 1 26 24 54 o 0.3176000      1.180000      ?             ?      
1 1 1 26 24 55 o 0.3379000      1.181000      ?             ?      
1 1 1 26 24 56 o 0.7381000      1.183000      ?             ?      
1 1 1 26 24 57 o 0.1886000      1.270000      ?             ?      
1 1 1 26 24 58 o 1.923000       1.554000      ?             ?      
1 1 1 26 24 59 o 3.724000       1.569000      ?             ?      
1 1 1 26 24 60 o 2.303000       1.304000      ?             ?      
1 1 1 26 24 61 o 0.7460000      1.438000      ?             ?      
1 1 1 26 24 62 o -2.503000      1.524000      ?             ?      
1 1 1 26 25 0  o 0.2344000E-01  1.281000      75.95962      0.0    
1 1 1 26 25 1  o 0.7828000      0.9046000     22.44191      21.5   
1 1 1 26 25 2  o 3.695000       0.9409000     334.5836      -4.4   
1 1 1 26 25 3  o -0.3715000     0.9112000     65.93250      -123.4 
1 1 1 26 25 4  o -0.5816000     1.052000      275.0081      72.3   
1 1 1 26 25 5  o 1.386000       1.007000      194.9540      -17.3  
1 1 1 26 25 6  o 6.152000       1.046000      422.7072      28.0   
1 1 1 26 25 7  o 4.639000       1.058000      331.9206      154.2  
1 1 1 26 25 8  o 4.428000       1.003000      328.1899      112.3  
1 1 1 26 25 9  o 12.49000       1.094000      500.5922      53.0   
1 1 1 26 25 10 o 2.339000       1.011000      254.8754      -12.3  
1 1 1 26 25 11 o 2.256000       1.014000      310.1290      -96.7  
1 1 1 26 25 12 o 4.276000       1.117000      380.2821      153.5  
1 1 1 26 25 13 o 1.231000       1.109000      162.9857      38.0   
1 1 1 26 25 14 o 2.594000       1.116000      215.9496      -93.8  
1 1 1 26 25 15 o 9.196000       1.170000      476.8918      -82.2  
1 1 1 26 25 16 o 3.327000       1.181000      309.1382      170.2  
1 1 1 26 25 17 o 0.5418000      1.313000      81.31589      -19.7  
1 1 1 26 25 18 o 7.341000       1.345000      458.2302      158.8  
1 1 1 26 25 19 o 2.277000       1.298000      209.2138      126.3  
1 1 1 26 25 20 o -0.1924000     1.377000      120.6283      87.6   
1 1 1 26 25 21 o -1.285000      1.250000      239.8082      -107.4 
1 1 1 26 25 22 o 2.722000       1.294000      234.1175      -172.5 
1 1 1 26 25 23 o 4.829000       1.508000      284.1382      49.8   
1 1 1 26 25 24 o 4.270000       1.186000      261.0288      22.5   
1 1 1 26 25 25 o 5.119000       1.137000      341.4992      114.2  
1 1 1 26 25 26 o 4.465000       1.067000      284.6494      -69.4  
1 1 1 26 25 27 o 10.75000       1.325000      307.8165      93.3   
1 1 1 26 25 28 o 4.139000       1.088000      205.6800      169.6  
1 1 1 26 25 29 o 0.5222000      1.063000      45.20779      -2.7   
1 1 1 26 25 30 o 1.846000       1.036000      177.0386      -33.1  
1 1 1 26 25 31 o 0.3648000      1.051000      100.9851      127.8  
1 1 1 26 25 32 o 6.113000       1.084000      354.0839      -122.4 
1 1 1 26 25 33 o 0.5840000      1.057000      196.9318      -44.3  
1 1 1 26 25 34 o 0.7837000      1.069000      110.9669      -160.3 
1 1 1 26 25 35 o 1.196000       1.098000      147.5446      -7.6   
1 1 1 26 25 36 o 0.3394000      1.122000      298.6224      97.7   
1 1 1 26 25 37 o 2.438000       1.117000      223.4078      84.8   
1 1 1 26 25 38 o 1.192000       1.095000      80.18810      -19.7  
1 1 1 26 25 39 o -0.9508000     1.097000      133.6282      -8.1   
1 1 1 26 25 40 o 1.200000       1.344000      203.2898      136.0  
1 1 1 26 25 41 o -0.1248000     1.482000      143.5848      13.8   
1 1 1 26 25 42 o -1.875000      1.817000      ?             ?      
1 1 1 26 25 43 o 2.029000       1.502000      ?             ?      
1 1 1 26 25 44 o 1.442000       1.298000      ?             ?      
1 1 1 26 25 45 o -0.3759000E-01 1.158000      ?             ?      
1 1 1 26 25 46 f 0.1420000      1.142000      ?             ?      
1 1 1 26 25 47 o -0.5060000     1.238000      ?             ?      
1 1 1 26 25 48 o 0.5579000      1.262000      ?             ?      
1 1 1 26 25 49 o -0.3076000     1.248000      ?             ?      
1 1 1 26 25 50 o 0.3757000      1.250000      ?             ?      
1 1 1 26 25 51 o -1.238000      1.253000      ?             ?      
1 1 1 26 25 52 o 3.167000       1.187000      ?             ?      
1 1 1 26 25 53 o 0.3173000      1.185000      ?             ?      
1 1 1 26 25 54 o 1.547000       1.203000      ?             ?      
1 1 1 26 25 55 o -0.9817000     1.290000      ?             ?      
1 1 1 26 25 56 o 3.635000       1.485000      ?             ?      
1 1 1 26 25 57 o -1.029000      1.499000      ?             ?      
1 1 1 26 25 58 o -0.6620000     1.531000      ?             ?      
1 1 1 26 25 59 o -1.759000      1.363000      ?             ?      
1 1 1 26 25 60 o -0.5250000     1.237000      ?             ?      
1 1 1 26 25 61 o 0.8833000      1.280000      ?             ?      
1 1 1 26 25 62 o 1.303000       1.529000      ?             ?      
1 1 1 26 26 0  o 1.555000       1.292000      106.5046      -0.0   
1 1 1 26 26 1  o 2.757000       0.9266000     202.5728      -109.0 
1 1 1 26 26 2  o 3.247000       0.9383000     261.4426      135.6  
1 1 1 26 26 3  o 10.85000       1.008000      525.4669      148.3  
1 1 1 26 26 4  o 3.987000       0.9391000     349.1590      -79.6  
1 1 1 26 26 5  o 3.446000       1.007000      277.1673      109.4  
1 1 1 26 26 6  o 2.057000       1.016000      203.6933      -129.0 
1 1 1 26 26 7  o 3.320000       1.040000      396.5743      170.1  
1 1 1 26 26 8  o -1.028000      1.027000      60.75863      8.0    
1 1 1 26 26 9  o 2.179000       1.008000      307.9674      44.3   
1 1 1 26 26 10 o 1.865000       1.006000      105.9910      -72.2  
1 1 1 26 26 11 o -0.8167000E-01 0.9918000     102.4077      -138.7 
1 1 1 26 26 12 o 1.957000       1.062000      166.3550      -176.1 
1 1 1 26 26 13 o -1.056000      1.052000      232.0904      -173.9 
1 1 1 26 26 14 o 4.514000       1.098000      344.6287      72.8   
1 1 1 26 26 15 o 3.371000       1.099000      311.3577      1.2    
1 1 1 26 26 16 o 1.714000       1.161000      110.2881      21.8   
1 1 1 26 26 17 o 4.883000       1.181000      249.3269      -111.5 
1 1 1 26 26 18 o 1.262000       1.254000      249.7411      -14.6  
1 1 1 26 26 19 o 1.848000       1.245000      199.2879      -1.2   
1 1 1 26 26 20 o 0.1646000      1.325000      195.6201      73.2   
1 1 1 26 26 21 o -0.5702000     1.445000      147.8344      -171.1 
1 1 1 26 26 22 o 2.862000       1.289000      274.8135      131.1  
1 1 1 26 26 23 o 12.78000       1.512000      547.7981      170.0  
1 1 1 26 26 24 o 10.69000       1.393000      453.3875      86.5   
1 1 1 26 26 25 o 2.800000       1.042000      245.7861      -163.6 
1 1 1 26 26 26 o 5.508000       1.075000      396.5149      -174.2 
1 1 1 26 26 27 o 0.1578000      1.117000      173.4559      97.4   
1 1 1 26 26 28 o 4.448000       1.114000      351.3295      80.0   
1 1 1 26 26 29 o 3.515000       1.053000      220.2576      -28.2  
1 1 1 26 26 30 o -1.977000      1.069000      101.0522      -42.8  
1 1 1 26 26 31 o -0.4902000     1.094000      67.41366      103.1  
1 1 1 26 26 32 o 1.968000       1.131000      184.1686      -45.0  
1 1 1 26 26 33 o 2.265000       1.095000      326.8544      52.6   
1 1 1 26 26 34 o -2.034000      1.064000      85.21915      -114.4 
1 1 1 26 26 35 o 1.005000       1.094000      193.0381      36.8   
1 1 1 26 26 36 o -0.8846000E-01 1.113000      206.5623      118.9  
1 1 1 26 26 37 o 3.158000       1.138000      244.2168      33.1   
1 1 1 26 26 38 o 0.1629000      1.092000      94.57246      75.0   
1 1 1 26 26 39 o 0.2485000      1.092000      122.7667      104.2  
1 1 1 26 26 40 o 0.7866000E-01  1.139000      143.3876      -29.8  
1 1 1 26 26 41 o 0.5354000      1.567000      ?             ?      
1 1 1 26 26 42 o 5.103000       1.855000      ?             ?      
1 1 1 26 26 43 o 0.2736000      1.237000      ?             ?      
1 1 1 26 26 44 o -0.2273000     1.235000      ?             ?      
1 1 1 26 26 45 o 1.268000       1.133000      ?             ?      
1 1 1 26 26 46 o 1.634000       1.135000      ?             ?      
1 1 1 26 26 47 o 0.4333000      1.142000      ?             ?      
1 1 1 26 26 48 o 1.130000       1.257000      ?             ?      
1 1 1 26 26 49 o 2.775000       1.349000      ?             ?      
1 1 1 26 26 50 o 0.1757000      1.252000      ?             ?      
1 1 1 26 26 51 o -1.183000      1.164000      ?             ?      
1 1 1 26 26 52 o 1.470000       1.184000      ?             ?      
1 1 1 26 26 53 o 2.784000       1.304000      ?             ?      
1 1 1 26 26 54 o 0.3905000      1.275000      ?             ?      
1 1 1 26 26 55 o 2.290000       1.291000      ?             ?      
1 1 1 26 26 56 o 1.713000       1.209000      ?             ?      
1 1 1 26 26 57 o 1.369000       1.362000      ?             ?      
1 1 1 26 26 58 o 0.2150000      1.376000      ?             ?      
1 1 1 26 26 59 o 1.806000       1.284000      ?             ?      
1 1 1 26 26 60 o 0.7468000      1.331000      ?             ?      
1 1 1 26 26 61 o -1.439000      1.426000      ?             ?      
1 1 1 26 27 0  o -0.3816000E-01 1.310000      257.5603      0.0    
1 1 1 26 27 1  o 3.946000       0.9468000     281.4276      -88.0  
1 1 1 26 27 2  o 4.227000       0.9497000     315.4373      -47.2  
1 1 1 26 27 3  o 1.744000       0.9303000     79.56599      13.8   
1 1 1 26 27 4  o 0.2118000      0.9215000     120.5276      -119.7 
1 1 1 26 27 5  o 2.177000       1.007000      136.0825      56.2   
1 1 1 26 27 6  o 0.4894000E-01  1.014000      60.31082      -172.4 
1 1 1 26 27 7  o 3.265000       1.044000      218.1993      55.0   
1 1 1 26 27 8  o 4.411000       1.079000      320.8016      -93.1  
1 1 1 26 27 9  o -1.271000      1.038000      70.25716      -72.6  
1 1 1 26 27 10 o -1.271000      0.9936000     113.9989      -83.0  
1 1 1 26 27 11 o 3.889000       1.001000      306.8726      -110.6 
1 1 1 26 27 12 o 0.5457000      1.043000      184.4616      179.0  
1 1 1 26 27 13 o 0.6978000      1.040000      135.0061      52.6   
1 1 1 26 27 14 o 1.200000       1.009000      71.28293      -7.3   
1 1 1 26 27 15 o 0.2561000      1.038000      73.78004      136.4  
1 1 1 26 27 16 o 6.924000       1.195000      387.2780      67.6   
1 1 1 26 27 17 o -0.4027000E-01 1.153000      147.5749      -50.6  
1 1 1 26 27 18 o 1.412000       1.290000      343.4870      148.2  
1 1 1 26 27 19 o 0.6892000      1.260000      80.75050      -88.4  
1 1 1 26 27 20 o 0.1427000      1.152000      149.8486      176.8  
1 1 1 26 27 21 o 4.217000       1.222000      350.0756      -142.5 
1 1 1 26 27 22 o 1.005000       1.358000      57.32614      130.6  
1 1 1 26 27 23 o 0.8198000      1.539000      71.66190      2.0    
1 1 1 26 27 24 o 0.2563000      1.258000      112.1207      -154.6 
1 1 1 26 27 25 o 3.422000       1.144000      207.3828      -113.4 
1 1 1 26 27 26 o 2.487000       1.060000      299.2608      -60.6  
1 1 1 26 27 27 o 2.502000       1.186000      228.3031      61.3   
1 1 1 26 27 28 o -1.387000      1.151000      180.0682      -83.7  
1 1 1 26 27 29 o 2.238000       1.050000      218.1353      108.4  
1 1 1 26 27 30 o 1.322000       1.107000      46.36309      147.2  
1 1 1 26 27 31 o -0.8230000     1.130000      109.3128      154.1  
1 1 1 26 27 32 o 6.101000       1.118000      287.1563      -115.0 
1 1 1 26 27 33 o -0.1444000     1.078000      95.64244      168.3  
1 1 1 26 27 34 o 4.298000       1.138000      293.3625      152.9  
1 1 1 26 27 35 o 1.521000       1.156000      142.0378      88.1   
1 1 1 26 27 36 o 1.067000       1.103000      145.3818      82.4   
1 1 1 26 27 37 o -0.5553000     1.099000      61.82108      108.3  
1 1 1 26 27 38 o 0.2817000      1.102000      126.8585      -174.7 
1 1 1 26 27 39 o 0.6721000      1.099000      210.3407      43.5   
1 1 1 26 27 40 o 0.2294000      1.135000      177.5603      -167.2 
1 1 1 26 27 41 o 1.558000       1.445000      ?             ?      
1 1 1 26 27 42 o 0.1321000      1.508000      ?             ?      
1 1 1 26 27 43 o 0.9923000      1.495000      ?             ?      
1 1 1 26 27 44 o 0.4113000      1.154000      ?             ?      
1 1 1 26 27 45 o -0.7296000     1.108000      ?             ?      
1 1 1 26 27 46 o 1.531000       1.135000      ?             ?      
1 1 1 26 27 47 o -0.7375000E-01 1.120000      ?             ?      
1 1 1 26 27 48 o 0.3902000      1.225000      ?             ?      
1 1 1 26 27 49 o -1.497000      1.222000      ?             ?      
1 1 1 26 27 50 o -0.8513000     1.321000      ?             ?      
1 1 1 26 27 51 o 0.2584000      1.249000      ?             ?      
1 1 1 26 27 52 o -0.6134000     1.259000      ?             ?      
1 1 1 26 27 53 o 1.498000       1.283000      ?             ?      
1 1 1 26 27 54 o -1.042000      1.156000      ?             ?      
1 1 1 26 27 55 o -2.056000      1.184000      ?             ?      
1 1 1 26 27 56 o 1.429000       1.266000      ?             ?      
1 1 1 26 27 57 o 0.6955000      1.538000      ?             ?      
1 1 1 26 27 58 o -1.521000      1.528000      ?             ?      
1 1 1 26 27 59 o 0.8913000      1.409000      ?             ?      
1 1 1 26 27 60 o 0.5716000      1.430000      ?             ?      
1 1 1 26 27 61 o -2.477000      3.100000      ?             ?      
1 1 1 26 28 0  o 5.342000       1.341000      373.3140      -0.0   
1 1 1 26 28 1  o 3.972000       0.9410000     349.9211      72.6   
1 1 1 26 28 2  o 1.159000       0.9218000     277.7489      174.7  
1 1 1 26 28 3  o 4.488000       0.9389000     251.7982      150.4  
1 1 1 26 28 4  o -0.4862000     0.9078000     19.82984      -104.2 
1 1 1 26 28 5  o 1.561000       1.007000      175.7587      116.0  
1 1 1 26 28 6  o -0.5370000     0.9994000     129.2199      -140.3 
1 1 1 26 28 7  o 2.804000       1.038000      82.77486      1.4    
1 1 1 26 28 8  o 0.5193000      1.026000      30.43702      -125.7 
1 1 1 26 28 9  o 0.9457000      1.024000      276.2961      29.3   
1 1 1 26 28 10 o 3.142000       0.9879000     286.9918      -31.4  
1 1 1 26 28 11 o -0.2577000     0.9548000     50.77163      105.9  
1 1 1 26 28 12 o 4.050000       1.056000      266.6135      -155.8 
1 1 1 26 28 13 o 0.2505000      1.021000      139.2269      116.3  
1 1 1 26 28 14 o 0.9234000      1.026000      202.7152      112.1  
1 1 1 26 28 15 o 1.529000       1.045000      228.6101      -59.8  
1 1 1 26 28 16 o 3.644000       1.166000      209.6718      75.0   
1 1 1 26 28 17 o 0.4490000      1.330000      258.8908      169.4  
1 1 1 26 28 18 o -0.6366000     1.294000      159.6296      -0.3   
1 1 1 26 28 19 o 2.017000       1.302000      224.6966      -108.8 
1 1 1 26 28 20 o 0.5705000      1.158000      143.9161      39.9   
1 1 1 26 28 21 o -0.6963000     1.149000      71.18180      179.8  
1 1 1 26 28 22 o -1.397000      1.279000      100.8579      175.7  
1 1 1 26 28 23 o 0.4620000      1.323000      162.0208      171.0  
1 1 1 26 28 24 o 4.847000       1.172000      342.3721      58.8   
1 1 1 26 28 25 o 0.6585000E-01  1.152000      72.32055      -87.2  
1 1 1 26 28 26 o -1.702000      1.241000      34.40197      34.9   
1 1 1 26 28 27 o 3.020000       1.084000      205.2856      45.3   
1 1 1 26 28 28 o 3.409000       1.031000      168.7589      125.6  
1 1 1 26 28 29 o 3.208000       1.054000      325.1797      -61.9  
1 1 1 26 28 30 o 1.687000       1.059000      119.7032      -102.7 
1 1 1 26 28 31 o 5.863000       1.110000      308.9178      -3.7   
1 1 1 26 28 32 o -0.3845000     1.070000      145.5511      -108.5 
1 1 1 26 28 33 o -1.119000      1.101000      107.4136      18.1   
1 1 1 26 28 34 o 4.425000       1.152000      291.9186      -101.1 
1 1 1 26 28 35 o 2.215000       1.104000      202.7539      30.8   
1 1 1 26 28 36 o 1.079000       1.098000      82.06302      96.5   
1 1 1 26 28 37 o 0.5468000      1.142000      69.65629      177.4  
1 1 1 26 28 38 o -0.8888000     1.139000      44.13462      -104.9 
1 1 1 26 28 39 o 0.4084000      1.123000      101.4242      86.8   
1 1 1 26 28 40 o 0.5493000      1.265000      ?             ?      
1 1 1 26 28 41 o 0.3185000      1.527000      ?             ?      
1 1 1 26 28 42 o 3.050000       1.431000      ?             ?      
1 1 1 26 28 43 o 0.6509000      1.355000      ?             ?      
1 1 1 26 28 44 o -0.2540000E-01 1.159000      ?             ?      
1 1 1 26 28 45 o -1.105000      1.142000      ?             ?      
1 1 1 26 28 46 o -2.093000      1.061000      ?             ?      
1 1 1 26 28 47 o -1.636000      1.091000      ?             ?      
1 1 1 26 28 48 o 1.085000       1.201000      ?             ?      
1 1 1 26 28 49 o -1.152000      1.301000      ?             ?      
1 1 1 26 28 50 o 2.420000       1.329000      ?             ?      
1 1 1 26 28 51 o -2.298000      1.327000      ?             ?      
1 1 1 26 28 52 o 0.4324000      1.170000      ?             ?      
1 1 1 26 28 53 o 1.550000       1.171000      ?             ?      
1 1 1 26 28 54 o -0.3680000     1.162000      ?             ?      
1 1 1 26 28 55 o -0.6753000     1.183000      ?             ?      
1 1 1 26 28 56 o 0.2406000      1.806000      ?             ?      
1 1 1 26 28 57 o -0.5718000     1.619000      ?             ?      
1 1 1 26 28 58 o 2.319000       1.268000      ?             ?      
1 1 1 26 28 59 o 0.8735000      1.229000      ?             ?      
1 1 1 26 28 60 o -1.308000      1.260000      ?             ?      
1 1 1 26 29 0  o -2.346000      1.221000      28.94829      -180.0 
1 1 1 26 29 1  o 1.256000       0.8732000     63.28173      -58.3  
1 1 1 26 29 2  o 0.9485000E-02  0.8734000     41.00180      -60.7  
1 1 1 26 29 3  o -1.096000      0.8896000     165.0048      21.0   
1 1 1 26 29 4  o 2.309000       0.8963000     238.3011      -161.5 
1 1 1 26 29 5  o -0.4505000     1.027000      146.6511      42.1   
1 1 1 26 29 6  o 1.046000       1.014000      41.49318      136.0  
1 1 1 26 29 7  o 1.458000       1.020000      211.1258      -10.2  
1 1 1 26 29 8  o 0.4505000      1.008000      105.1496      -156.9 
1 1 1 26 29 9  o -1.302000      0.9937000     139.2389      -150.8 
1 1 1 26 29 10 o 2.554000       1.027000      171.5404      157.9  
1 1 1 26 29 11 o 0.7460000E-01  0.9511000     32.11058      164.1  
1 1 1 26 29 12 o -0.4648000     0.9930000     44.87606      -88.0  
1 1 1 26 29 13 o -1.358000      1.020000      64.31808      39.2   
1 1 1 26 29 14 o 3.739000       1.060000      222.2377      153.4  
1 1 1 26 29 15 o -2.272000      1.044000      77.75231      -165.3 
1 1 1 26 29 16 o 1.456000       1.199000      186.4530      19.1   
1 1 1 26 29 17 o -2.312000      1.330000      46.38051      -110.7 
1 1 1 26 29 18 o 0.9331000E-01  1.332000      133.8155      -67.7  
1 1 1 26 29 19 o -1.289000      1.155000      82.34988      81.5   
1 1 1 26 29 20 o 0.1541000      1.148000      152.5715      33.2   
1 1 1 26 29 21 o 0.4836000      1.312000      105.3493      -112.7 
1 1 1 26 29 22 o -0.3470000     1.298000      114.6151      174.4  
1 1 1 26 29 23 o -0.8029000E-01 1.160000      65.85019      -160.0 
1 1 1 26 29 24 o -0.1467000     1.154000      53.25269      -47.6  
1 1 1 26 29 25 o 0.8883000      1.161000      65.60297      -132.1 
1 1 1 26 29 26 o -1.146000      1.169000      62.05568      -56.6  
1 1 1 26 29 27 o 1.918000       1.183000      173.3794      141.9  
1 1 1 26 29 28 o -1.237000      1.051000      215.5371      24.0   
1 1 1 26 29 29 o -0.8972000     1.073000      65.33822      57.3   
1 1 1 26 29 30 o 1.034000       1.103000      30.55810      173.5  
1 1 1 26 29 31 o -1.362000      1.079000      155.2665      -132.1 
1 1 1 26 29 32 o 2.178000       1.084000      105.2651      -70.9  
1 1 1 26 29 33 o 0.7068000      1.082000      31.70149      -36.6  
1 1 1 26 29 34 o 2.634000       1.151000      157.1677      137.9  
1 1 1 26 29 35 o 1.209000       1.103000      124.4219      69.0   
1 1 1 26 29 36 o -0.4416000     1.137000      65.63422      43.8   
1 1 1 26 29 37 o -0.7976000     1.122000      80.04220      117.5  
1 1 1 26 29 38 o 1.733000       1.119000      237.6731      -161.6 
1 1 1 26 29 39 o 0.6783000      1.123000      ?             ?      
1 1 1 26 29 40 o -1.542000      1.219000      ?             ?      
1 1 1 26 29 41 o -0.3417000E-01 1.216000      ?             ?      
1 1 1 26 29 42 o -0.6267000     1.395000      ?             ?      
1 1 1 26 29 43 o 0.1169000E-01  1.348000      ?             ?      
1 1 1 26 29 44 o 1.060000       1.162000      ?             ?      
1 1 1 26 29 45 o 0.9464000      1.133000      ?             ?      
1 1 1 26 29 46 o -0.4769000     1.135000      ?             ?      
1 1 1 26 29 47 o -0.3709000     1.169000      ?             ?      
1 1 1 26 29 48 o -1.236000      1.200000      ?             ?      
1 1 1 26 29 49 o 3.162000       1.225000      ?             ?      
1 1 1 26 29 50 o 1.567000       1.229000      ?             ?      
1 1 1 26 29 51 o -1.515000      1.326000      ?             ?      
1 1 1 26 29 52 o 0.5509000      1.236000      ?             ?      
1 1 1 26 29 53 o -0.9716000     1.145000      ?             ?      
1 1 1 26 29 54 o 1.435000       1.258000      ?             ?      
1 1 1 26 29 55 o -2.381000      1.502000      ?             ?      
1 1 1 26 29 56 o 0.5047000      1.528000      ?             ?      
1 1 1 26 29 57 o 1.194000       1.345000      ?             ?      
1 1 1 26 29 58 o -0.7647000     1.225000      ?             ?      
1 1 1 26 29 59 o 0.5079000      1.236000      ?             ?      
1 1 1 26 30 0  o -0.5086000     1.187000      72.00697      180.0  
1 1 1 26 30 1  o 0.5537000      0.8364000     105.9413      89.7   
1 1 1 26 30 2  o 0.5555000      0.8556000     108.9092      -175.8 
1 1 1 26 30 3  o 0.3047000      0.8666000     30.86780      108.0  
1 1 1 26 30 4  o 1.520000       0.8773000     105.1099      97.0   
1 1 1 26 30 5  o 0.9920000E-01  1.037000      90.96245      -112.1 
1 1 1 26 30 6  o 2.416000       1.066000      224.5877      66.5   
1 1 1 26 30 7  o 1.630000       1.053000      81.33051      -33.5  
1 1 1 26 30 8  o -0.8721000     1.023000      113.6234      -130.1 
1 1 1 26 30 9  o 0.9609000      1.015000      138.1078      36.2   
1 1 1 26 30 10 o -0.2303000     1.047000      49.42771      -28.8  
1 1 1 26 30 11 o -0.2836000     1.095000      93.02225      -133.0 
1 1 1 26 30 12 o -0.4328000     1.009000      131.6578      180.0  
1 1 1 26 30 13 o -0.4095000     1.025000      41.52462      -175.0 
1 1 1 26 30 14 o -0.1448000     1.056000      143.3840      -98.4  
1 1 1 26 30 15 o -0.5544000E-01 1.063000      59.02779      -113.9 
1 1 1 26 30 16 o -0.2968000     1.202000      154.2408      67.5   
1 1 1 26 30 17 o 1.340000       1.386000      71.27950      -176.0 
1 1 1 26 30 18 f 1.425000       1.228000      79.53864      -169.9 
1 1 1 26 30 19 o -2.038000      1.213000      45.74581      -110.3 
1 1 1 26 30 20 o 1.562000       1.191000      70.58208      93.5   
1 1 1 26 30 21 o -3.284000      1.335000      46.38354      112.9  
1 1 1 26 30 22 o -0.6325000     1.321000      23.50953      -96.7  
1 1 1 26 30 23 o 0.1526000      1.164000      75.82536      -170.6 
1 1 1 26 30 24 o -0.6556000     1.173000      38.41207      15.1   
1 1 1 26 30 25 o 0.2755000      1.150000      121.4381      -135.8 
1 1 1 26 30 26 o 0.2395000      1.159000      131.6554      -125.4 
1 1 1 26 30 27 o -0.9060000     1.180000      63.17801      49.2   
1 1 1 26 30 28 o 0.9422000      1.217000      12.06834      -40.3  
1 1 1 26 30 29 o 1.116000       1.158000      7.973197      101.7  
1 1 1 26 30 30 o 1.454000       1.095000      144.8741      -62.0  
1 1 1 26 30 31 o 0.2230000      1.116000      100.9904      -23.5  
1 1 1 26 30 32 o -0.1619000     1.134000      106.1311      -102.8 
1 1 1 26 30 33 o -0.2158000     1.117000      97.03371      -33.7  
1 1 1 26 30 34 o 1.415000       1.081000      96.24220      -58.5  
1 1 1 26 30 35 o 0.1564000      1.085000      57.82326      97.7   
1 1 1 26 30 36 o 1.176000       1.104000      160.3295      -151.6 
1 1 1 26 30 37 o 0.8150000      1.093000      90.84062      -118.2 
1 1 1 26 30 38 o -0.6127000     1.099000      ?             ?      
1 1 1 26 30 39 o -0.5951000     1.266000      ?             ?      
1 1 1 26 30 40 o 0.2203000      1.255000      ?             ?      
1 1 1 26 30 41 o -1.764000      1.102000      ?             ?      
1 1 1 26 30 42 o 2.385000       1.286000      ?             ?      
1 1 1 26 30 43 o -1.500000      1.313000      ?             ?      
1 1 1 26 30 44 o -3.418000      1.752000      ?             ?      
1 1 1 26 30 45 o 0.2254000      1.206000      ?             ?      
1 1 1 26 30 46 o -1.066000      1.129000      ?             ?      
1 1 1 26 30 47 o 1.041000       1.041000      ?             ?      
1 1 1 26 30 48 o 1.391000       1.047000      ?             ?      
1 1 1 26 30 49 o 1.684000       1.108000      ?             ?      
1 1 1 26 30 50 o -1.429000      1.221000      ?             ?      
1 1 1 26 30 51 o -1.574000      1.227000      ?             ?      
1 1 1 26 30 52 o -1.052000      1.342000      ?             ?      
1 1 1 26 30 53 o 0.9114000      1.715000      ?             ?      
1 1 1 26 30 54 o 0.8565000      1.214000      ?             ?      
1 1 1 26 30 55 o -0.3237000E-01 1.315000      ?             ?      
1 1 1 26 30 56 o -1.079000      1.508000      ?             ?      
1 1 1 26 30 57 o -0.5606000     1.247000      ?             ?      
1 1 1 26 30 58 o -0.5219000     1.219000      ?             ?      
1 1 1 26 30 59 o 0.5187000      1.424000      ?             ?      
1 1 1 26 31 0  o 0.3109000      1.162000      7.721684      -180.0 
1 1 1 26 31 1  o -0.3408000     0.8423000     108.3456      -112.6 
1 1 1 26 31 2  o 1.237000       0.8663000     34.51065      102.2  
1 1 1 26 31 3  o 0.5251000      0.8681000     22.74397      156.6  
1 1 1 26 31 4  o -1.413000      0.8873000     55.56446      128.6  
1 1 1 26 31 5  o -0.4054000     0.9210000     60.07836      101.8  
1 1 1 26 31 6  o 0.1691000      1.065000      36.48063      -70.2  
1 1 1 26 31 7  o -0.1349000     1.085000      110.4547      -120.1 
1 1 1 26 31 8  o 0.4850000E-01  1.033000      68.87690      -173.6 
1 1 1 26 31 9  o 0.8351000      1.028000      88.83493      128.0  
1 1 1 26 31 10 o -0.1934000E-01 1.024000      12.11136      -27.0  
1 1 1 26 31 11 o -0.8720000     1.093000      63.01149      101.5  
1 1 1 26 31 12 o -1.632000      1.123000      95.72002      -68.4  
1 1 1 26 31 13 o -0.5038000     1.056000      43.58212      -66.9  
1 1 1 26 31 14 o 1.303000       1.083000      66.12293      155.0  
1 1 1 26 31 15 o -2.134000      1.202000      45.40762      78.1   
1 1 1 26 31 16 o 0.3562000      1.222000      14.09835      -46.4  
1 1 1 26 31 17 o -1.061000      1.418000      50.21093      -104.6 
1 1 1 26 31 18 o -0.1283000     1.236000      93.37950      -7.3   
1 1 1 26 31 19 o -2.148000      1.248000      64.00827      -20.6  
1 1 1 26 31 20 o -2.086000      1.454000      30.15772      54.0   
1 1 1 26 31 21 o -2.351000      1.409000      60.06802      163.8  
1 1 1 26 31 22 o 0.5871000      1.228000      42.09821      92.4   
1 1 1 26 31 23 o -0.6619000     1.188000      90.06786      -2.1   
1 1 1 26 31 24 o -0.7609000     1.184000      88.29858      -82.6  
1 1 1 26 31 25 o -1.410000      1.172000      28.27640      108.7  
1 1 1 26 31 26 o 1.010000       1.195000      25.79234      160.8  
1 1 1 26 31 27 o -0.5871000     1.202000      67.93331      -9.2   
1 1 1 26 31 28 o 0.7804000      1.263000      118.4109      13.5   
1 1 1 26 31 29 o -1.263000      1.252000      21.61612      168.0  
1 1 1 26 31 30 o 0.7625000      1.134000      72.92174      -116.6 
1 1 1 26 31 31 o -0.7863000     1.166000      71.77557      6.1    
1 1 1 26 31 32 o -0.5397000     1.144000      31.29475      118.7  
1 1 1 26 31 33 o -0.3862000     1.087000      43.05636      144.8  
1 1 1 26 31 34 o -0.7197000     1.084000      70.18205      110.8  
1 1 1 26 31 35 o -1.620000      1.134000      83.38567      35.6   
1 1 1 26 31 36 o 0.2833000      1.135000      78.29715      16.7   
1 1 1 26 31 37 o -0.7681000     1.110000      ?             ?      
1 1 1 26 31 38 o -0.4912000     1.134000      ?             ?      
1 1 1 26 31 39 o 0.7554000      1.204000      ?             ?      
1 1 1 26 31 40 o -1.132000      1.086000      ?             ?      
1 1 1 26 31 41 o -0.3978000     1.112000      ?             ?      
1 1 1 26 31 42 o 2.400000       2.232000      ?             ?      
1 1 1 26 31 43 o 0.6822000      1.396000      ?             ?      
1 1 1 26 31 44 o 1.034000       1.532000      ?             ?      
1 1 1 26 31 45 o -1.810000      1.105000      ?             ?      
1 1 1 26 31 46 o 0.4167000      1.205000      ?             ?      
1 1 1 26 31 47 o -0.2410000E-01 1.091000      ?             ?      
1 1 1 26 31 48 o -0.4876000     1.041000      ?             ?      
1 1 1 26 31 49 o -2.705000      1.049000      ?             ?      
1 1 1 26 31 50 o 0.7255000      1.155000      ?             ?      
1 1 1 26 31 51 o -0.4835000     1.402000      ?             ?      
1 1 1 26 31 52 o -0.7745000     1.328000      ?             ?      
1 1 1 26 31 53 o -1.488000      1.242000      ?             ?      
1 1 1 26 31 54 o -0.5297000     1.207000      ?             ?      
1 1 1 26 31 55 o -0.2388000     1.450000      ?             ?      
1 1 1 26 31 56 o -0.1705000     1.318000      ?             ?      
1 1 1 26 31 57 o 0.3921000E-01  1.194000      ?             ?      
1 1 1 26 31 58 o -0.4419000E-01 1.229000      ?             ?      
1 1 1 26 32 0  o -2.863000      1.165000      95.35700      -180.0 
1 1 1 26 32 1  o -0.3511000     0.8336000     48.13533      14.0   
1 1 1 26 32 2  o -0.6936000     0.8631000     37.55363      -22.5  
1 1 1 26 32 3  o -0.5883000     0.8689000     42.99410      152.7  
1 1 1 26 32 4  o -1.318000      0.9043000     91.94237      82.0   
1 1 1 26 32 5  o 1.195000       0.9180000     31.16483      161.8  
1 1 1 26 32 6  o -1.487000      1.027000      98.29831      -11.3  
1 1 1 26 32 7  o -0.8073000     1.067000      39.21910      84.7   
1 1 1 26 32 8  o -1.896000      1.034000      65.75949      157.7  
1 1 1 26 32 9  o 0.7754000E-01  1.017000      66.04974      -33.7  
1 1 1 26 32 10 o 0.1675000      1.026000      105.9970      -156.6 
1 1 1 26 32 11 o -0.5714000     1.126000      54.59267      62.5   
1 1 1 26 32 12 o -0.7028000E-01 1.134000      51.34617      -38.6  
1 1 1 26 32 13 o -0.1569000     1.168000      48.87608      -107.6 
1 1 1 26 32 14 o 1.244000       1.243000      24.13760      74.6   
1 1 1 26 32 15 o 0.6961000      1.271000      42.09497      18.6   
1 1 1 26 32 16 o -0.8510000     1.302000      39.79531      -30.0  
1 1 1 26 32 17 o 0.5169000      1.259000      73.36199      98.4   
1 1 1 26 32 18 o -1.788000      1.305000      37.77139      -148.2 
1 1 1 26 32 19 o -1.807000      1.274000      10.08136      165.4  
1 1 1 26 32 20 o 2.301000       1.490000      10.82490      41.9   
1 1 1 26 32 21 o -2.029000      1.468000      29.19196      89.4   
1 1 1 26 32 22 o 1.474000       1.271000      97.96632      58.9   
1 1 1 26 32 23 o -0.8074000     1.226000      7.214537      58.0   
1 1 1 26 32 24 o -1.784000      1.220000      55.05323      84.1   
1 1 1 26 32 25 o 1.980000       1.219000      41.76465      -140.3 
1 1 1 26 32 26 o 0.3106000      1.238000      21.51883      18.3   
1 1 1 26 32 27 o -0.2155000     1.254000      41.77578      -6.2   
1 1 1 26 32 28 o -2.102000      1.263000      15.17995      -103.1 
1 1 1 26 32 29 o 0.9897000      1.243000      80.98067      88.3   
1 1 1 26 32 30 o 0.7731000      1.251000      12.48938      19.2   
1 1 1 26 32 31 o 1.033000       1.124000      55.01456      -152.9 
1 1 1 26 32 32 o -1.128000      1.075000      21.62013      -6.3   
1 1 1 26 32 33 o -0.8020000     1.080000      79.30449      177.6  
1 1 1 26 32 34 o -0.2625000     1.156000      17.04029      57.5   
1 1 1 26 32 35 o -0.6698000     1.140000      ?             ?      
1 1 1 26 32 36 o 0.5959000E-01  1.082000      ?             ?      
1 1 1 26 32 37 o -0.4269000     1.077000      ?             ?      
1 1 1 26 32 38 o -0.9310000     1.215000      ?             ?      
1 1 1 26 32 39 o 0.4700000      1.272000      ?             ?      
1 1 1 26 32 40 o -0.1060000     1.327000      ?             ?      
1 1 1 26 32 41 o -1.573000      1.083000      ?             ?      
1 1 1 26 32 42 o -2.089000      1.124000      ?             ?      
1 1 1 26 32 43 o -0.1421000     1.200000      ?             ?      
1 1 1 26 32 44 o -1.177000      1.209000      ?             ?      
1 1 1 26 32 45 o -1.499000      1.257000      ?             ?      
1 1 1 26 32 46 o -1.140000      1.117000      ?             ?      
1 1 1 26 32 47 o 0.6117000      1.116000      ?             ?      
1 1 1 26 32 48 o -1.131000      1.088000      ?             ?      
1 1 1 26 32 49 o -0.5168000     1.291000      ?             ?      
1 1 1 26 32 50 o -0.4214000     1.128000      ?             ?      
1 1 1 26 32 51 o 0.8528000      1.262000      ?             ?      
1 1 1 26 32 52 o -0.4191000     1.239000      ?             ?      
1 1 1 26 32 53 o -0.5942000     1.398000      ?             ?      
1 1 1 26 32 54 o -0.8210000     2.018000      ?             ?      
1 1 1 26 32 55 o -0.8403000     1.480000      ?             ?      
1 1 1 26 32 56 o 0.5235000      1.227000      ?             ?      
1 1 1 26 32 57 o 0.3075000E-01  1.209000      ?             ?      
1 1 1 26 33 0  o -1.547000      1.134000      92.60450      -0.0   
1 1 1 26 33 1  o -0.7368000     0.8101000     46.70256      -98.5  
1 1 1 26 33 2  o 0.1400000      0.8373000     66.70963      173.9  
1 1 1 26 33 3  o 0.4389000      0.8489000     40.72684      168.1  
1 1 1 26 33 4  o -1.709000      0.8869000     39.34998      -79.1  
1 1 1 26 33 5  o 0.3940000      0.9158000     62.63105      106.6  
1 1 1 26 33 6  o 0.7460000      1.008000      63.25134      -81.3  
1 1 1 26 33 7  o 0.6000000      1.055000      81.45378      85.6   
1 1 1 26 33 8  o -1.304000      1.012000      62.03547      157.0  
1 1 1 26 33 9  o 0.4113000      1.024000      48.69705      146.8  
1 1 1 26 33 10 o 0.8181000E-01  1.036000      56.92272      -105.7 
1 1 1 26 33 11 o 0.5509000      1.150000      28.41174      -157.9 
1 1 1 26 33 12 o 1.431000       1.183000      49.25724      -29.1  
1 1 1 26 33 13 o -1.251000      1.206000      55.61027      64.8   
1 1 1 26 33 14 o -2.414000      1.454000      12.68233      -157.6 
1 1 1 26 33 15 o -0.7346000     1.299000      29.76710      122.7  
1 1 1 26 33 16 o -1.129000      1.193000      45.52149      88.0   
1 1 1 26 33 17 o 1.489000       1.308000      42.21576      178.4  
1 1 1 26 33 18 o -1.413000      1.303000      51.47678      -163.3 
1 1 1 26 33 19 o 0.2722000      1.515000      49.90045      -20.6  
1 1 1 26 33 20 o 0.5067000      1.497000      42.06445      -173.9 
1 1 1 26 33 21 o 1.232000       1.506000      54.87582      148.3  
1 1 1 26 33 22 o 0.7770000      1.304000      65.30587      114.1  
1 1 1 26 33 23 o 0.1627000      1.318000      127.0766      89.1   
1 1 1 26 33 24 o -0.4562000     1.293000      108.3201      -107.1 
1 1 1 26 33 25 o -0.7886000     1.261000      91.12828      146.1  
1 1 1 26 33 26 o 0.3342000E-01  1.270000      110.1024      104.9  
1 1 1 26 33 27 o 0.7423000E-01  1.271000      55.50169      176.2  
1 1 1 26 33 28 o -0.3631000     1.261000      82.25779      168.4  
1 1 1 26 33 29 o 0.3162000E-01  1.272000      26.86729      -95.3  
1 1 1 26 33 30 o -0.5320000     1.252000      43.58791      -119.2 
1 1 1 26 33 31 o -0.2041000     1.244000      19.61569      103.3  
1 1 1 26 33 32 o -2.142000      1.308000      49.54988      -89.0  
1 1 1 26 33 33 o 0.1302000      1.081000      9.910277      -173.5 
1 1 1 26 33 34 o -0.3026000     1.088000      ?             ?      
1 1 1 26 33 35 o 0.2016000E-01  1.070000      ?             ?      
1 1 1 26 33 36 o 0.7784000      1.090000      ?             ?      
1 1 1 26 33 37 o 0.6620000      1.360000      ?             ?      
1 1 1 26 33 38 o 0.6563000      1.413000      ?             ?      
1 1 1 26 33 39 o -0.4669000     1.243000      ?             ?      
1 1 1 26 33 40 o -1.053000      1.138000      ?             ?      
1 1 1 26 33 41 o -0.3657000E-01 1.053000      ?             ?      
1 1 1 26 33 42 o -0.2533000     1.049000      ?             ?      
1 1 1 26 33 43 o -0.5485000E-01 1.145000      ?             ?      
1 1 1 26 33 44 o 0.9065000E-01  1.156000      ?             ?      
1 1 1 26 33 45 o 0.3363000E-01  1.245000      ?             ?      
1 1 1 26 33 46 o 1.513000       1.248000      ?             ?      
1 1 1 26 33 47 o 0.1240000      1.258000      ?             ?      
1 1 1 26 33 48 o 0.1836000      1.022000      ?             ?      
1 1 1 26 33 49 o -0.7083000     1.073000      ?             ?      
1 1 1 26 33 50 o 0.5384000      1.095000      ?             ?      
1 1 1 26 33 51 o -0.8969000     1.065000      ?             ?      
1 1 1 26 33 52 o 0.2357000      1.259000      ?             ?      
1 1 1 26 33 53 o -1.242000      1.335000      ?             ?      
1 1 1 26 33 54 o -0.7416000E-01 1.518000      ?             ?      
1 1 1 26 33 55 o 0.6445000      1.367000      ?             ?      
1 1 1 26 33 56 o 0.2976000      1.189000      ?             ?      
1 1 1 26 33 57 o 2.827000       3.016000      ?             ?      
1 1 1 26 34 0  o 0.4226000      1.128000      77.51588      -180.0 
1 1 1 26 34 1  o -0.3027000     0.8096000     135.8771      82.6   
1 1 1 26 34 2  o 0.2598000      0.8310000     46.83190      75.4   
1 1 1 26 34 3  o 0.9117000E-02  0.8500000     84.40353      -134.2 
1 1 1 26 34 4  o 0.2369000      0.8832000     116.0617      112.2  
1 1 1 26 34 5  o 0.7242000      0.9188000     107.3949      -66.6  
1 1 1 26 34 6  o -0.8832000     1.035000      126.1479      173.2  
1 1 1 26 34 7  o 0.8089000      1.025000      81.76820      16.5   
1 1 1 26 34 8  o -0.3744000     1.047000      110.2818      167.6  
1 1 1 26 34 9  o -0.4575000     1.051000      75.85295      -60.0  
1 1 1 26 34 10 o 1.168000       1.064000      2.087806      5.8    
1 1 1 26 34 11 o 1.038000       1.192000      45.36626      66.6   
1 1 1 26 34 12 o -0.5453000E-03 1.216000      140.3563      -145.8 
1 1 1 26 34 13 o 1.433000       1.464000      24.82455      -131.8 
1 1 1 26 34 14 o 1.391000       1.500000      105.5725      -91.4  
1 1 1 26 34 15 o 0.6177000      1.530000      154.8868      -53.2  
1 1 1 26 34 16 o 0.1203000      1.201000      103.9154      -131.7 
1 1 1 26 34 17 o 0.2838000      1.302000      117.4777      -164.8 
1 1 1 26 34 18 o -1.532000      1.346000      12.58800      -56.9  
1 1 1 26 34 19 o -2.870000      1.593000      55.17810      37.7   
1 1 1 26 34 20 o 4.047000       1.600000      149.2317      -38.1  
1 1 1 26 34 21 o 0.9846000      1.346000      68.45645      -93.1  
1 1 1 26 34 22 o 1.441000       1.344000      69.96075      -148.6 
1 1 1 26 34 23 o -1.369000      1.328000      13.24931      133.2  
1 1 1 26 34 24 o -0.5486000     1.301000      56.69150      125.6  
1 1 1 26 34 25 o 0.2167000      1.311000      111.9314      -97.9  
1 1 1 26 34 26 o 0.2501000      1.283000      61.74123      -17.4  
1 1 1 26 34 27 o -1.038000      1.273000      45.26457      157.4  
1 1 1 26 34 28 o -1.915000      1.283000      24.72895      -94.0  
1 1 1 26 34 29 o 1.639000       1.290000      83.14230      139.4  
1 1 1 26 34 30 o 0.8819000      1.276000      70.14877      46.6   
1 1 1 26 34 31 o 2.749000       1.279000      89.59472      59.7   
1 1 1 26 34 32 o 0.1677000      1.264000      70.63354      177.4  
1 1 1 26 34 33 o -1.349000      1.317000      ?             ?      
1 1 1 26 34 34 o 0.6757000E-01  1.056000      ?             ?      
1 1 1 26 34 35 o 0.1116000      1.409000      ?             ?      
1 1 1 26 34 36 o -0.9492000E-01 1.428000      ?             ?      
1 1 1 26 34 37 o -1.141000      1.608000      ?             ?      
1 1 1 26 34 38 o -0.5087000E-01 1.108000      ?             ?      
1 1 1 26 34 39 o 0.5706000      1.056000      ?             ?      
1 1 1 26 34 40 o -0.9905000     1.059000      ?             ?      
1 1 1 26 34 41 o 0.8367000E-01  1.043000      ?             ?      
1 1 1 26 34 42 o 1.528000       1.011000      ?             ?      
1 1 1 26 34 43 o 1.231000       1.096000      ?             ?      
1 1 1 26 34 44 o 0.8444000      1.214000      ?             ?      
1 1 1 26 34 45 o 0.7467000E-01  1.320000      ?             ?      
1 1 1 26 34 46 o 1.239000       1.110000      ?             ?      
1 1 1 26 34 47 o 0.9950000      1.095000      ?             ?      
1 1 1 26 34 48 o 0.1508000      1.043000      ?             ?      
1 1 1 26 34 49 o 0.1847000      1.035000      ?             ?      
1 1 1 26 34 50 o 0.4191000      1.042000      ?             ?      
1 1 1 26 34 51 o 0.8054000E-01  1.054000      ?             ?      
1 1 1 26 34 52 o 0.5292000      1.153000      ?             ?      
1 1 1 26 34 53 o -2.301000      1.566000      ?             ?      
1 1 1 26 34 54 o -1.039000      1.680000      ?             ?      
1 1 1 26 34 55 o 0.7980000      1.351000      ?             ?      
1 1 1 26 34 56 o -1.775000      1.492000      ?             ?      
1 1 1 26 35 0  o 2.679000       1.178000      142.4533      180.0  
1 1 1 26 35 1  o 0.8286000      0.8439000     135.3836      102.9  
1 1 1 26 35 2  o -0.8994000     0.8466000     84.02814      -90.2  
1 1 1 26 35 3  o 1.179000       0.8606000     126.6065      -24.4  
1 1 1 26 35 4  o 1.423000       0.9032000     180.8802      27.6   
1 1 1 26 35 5  o -0.4522000     0.9163000     33.35774      102.9  
1 1 1 26 35 6  o -0.3350000     1.102000      62.70594      -107.7 
1 1 1 26 35 7  o 0.6580000E-01  1.056000      106.0701      -99.2  
1 1 1 26 35 8  o 1.034000       1.084000      156.1735      126.6  
1 1 1 26 35 9  o 1.663000       1.084000      47.75243      -143.8 
1 1 1 26 35 10 o 0.8747000      1.083000      30.08783      17.4   
1 1 1 26 35 11 o 1.552000       1.219000      123.7522      2.0    
1 1 1 26 35 12 o 0.2451000      1.444000      101.7214      -29.0  
1 1 1 26 35 13 o 1.163000       1.490000      96.75343      -91.5  
1 1 1 26 35 14 o 0.3291000      1.528000      134.4357      33.9   
1 1 1 26 35 15 o 1.241000       1.325000      110.0667      -34.4  
1 1 1 26 35 16 o 3.763000       1.457000      67.71085      -174.9 
1 1 1 26 35 17 o 2.465000       1.401000      137.9355      156.7  
1 1 1 26 35 18 o -0.8885000     1.653000      61.24015      -158.2 
1 1 1 26 35 19 o 1.700000       1.632000      57.63836      165.9  
1 1 1 26 35 20 o 1.623000       1.649000      128.1248      -29.2  
1 1 1 26 35 21 o 3.436000       1.397000      95.71927      45.3   
1 1 1 26 35 22 o 0.3560000      1.370000      65.44887      -91.3  
1 1 1 26 35 23 o 0.6216000      1.363000      144.4297      127.3  
1 1 1 26 35 24 o 1.333000       1.359000      7.446981      -14.6  
1 1 1 26 35 25 o 1.074000       1.353000      109.1044      165.5  
1 1 1 26 35 26 f 1.992000       1.330000      133.8152      -12.1  
1 1 1 26 35 27 o 0.7802000      1.285000      87.25858      -157.6 
1 1 1 26 35 28 o 3.150000       1.305000      98.96878      -127.0 
1 1 1 26 35 29 o 1.447000       1.292000      102.9557      160.0  
1 1 1 26 35 30 o 1.974000       1.294000      113.7302      -54.9  
1 1 1 26 35 31 o -1.594000      1.274000      ?             ?      
1 1 1 26 35 32 o -0.2748000     1.241000      ?             ?      
1 1 1 26 35 33 o -0.5426000     1.237000      ?             ?      
1 1 1 26 35 34 o -0.1205000     1.460000      ?             ?      
1 1 1 26 35 35 o -1.819000      1.146000      ?             ?      
1 1 1 26 35 36 o 0.5331000      1.131000      ?             ?      
1 1 1 26 35 37 o 0.4390000      1.161000      ?             ?      
1 1 1 26 35 38 o 2.746000       1.066000      ?             ?      
1 1 1 26 35 39 o 0.4485000      1.023000      ?             ?      
1 1 1 26 35 40 o 0.1021000      0.9917000     ?             ?      
1 1 1 26 35 41 o -1.013000      1.066000      ?             ?      
1 1 1 26 35 42 o 0.5182000      1.137000      ?             ?      
1 1 1 26 35 43 o -0.7585000     1.055000      ?             ?      
1 1 1 26 35 44 o -1.188000      1.181000      ?             ?      
1 1 1 26 35 45 o 0.7780000      1.158000      ?             ?      
1 1 1 26 35 46 o 0.8830000      1.246000      ?             ?      
1 1 1 26 35 47 o 0.3827000      1.129000      ?             ?      
1 1 1 26 35 48 o -0.5272000     1.139000      ?             ?      
1 1 1 26 35 49 o -0.8457000     1.051000      ?             ?      
1 1 1 26 35 50 o 0.8820000      1.049000      ?             ?      
1 1 1 26 35 51 o 0.1316000      1.060000      ?             ?      
1 1 1 26 35 52 o -0.4721000     1.111000      ?             ?      
1 1 1 26 35 53 o -0.8492000     1.521000      ?             ?      
1 1 1 26 35 54 o -1.246000      1.221000      ?             ?      
1 1 1 26 35 55 o -2.270000      1.416000      ?             ?      
1 1 1 26 36 0  o 0.3278000      1.188000      12.35472      0.0    
1 1 1 26 36 1  o 0.7550000      0.8469000     44.96404      10.0   
1 1 1 26 36 2  o 1.371000       0.8516000     206.1123      121.9  
1 1 1 26 36 3  o -0.1354000     0.8468000     96.83766      -36.0  
1 1 1 26 36 4  o 0.1539000      0.8772000     73.24787      131.1  
1 1 1 26 36 5  o -0.6669000     0.9018000     33.87195      161.7  
1 1 1 26 36 6  o -0.2688000E-01 1.127000      120.3520      -36.4  
1 1 1 26 36 7  o 1.162000       1.088000      122.7890      -44.9  
1 1 1 26 36 8  o 2.575000       1.109000      169.3406      -165.0 
1 1 1 26 36 9  o 1.263000       1.102000      68.91096      44.1   
1 1 1 26 36 10 o 2.056000       1.116000      175.1302      12.8   
1 1 1 26 36 11 o 0.6440000      1.256000      58.20280      73.8   
1 1 1 26 36 12 o -0.4184000     1.477000      64.45705      16.0   
1 1 1 26 36 13 o -2.502000      1.556000      80.34827      -33.9  
1 1 1 26 36 14 o -1.186000      1.341000      73.82269      -36.6  
1 1 1 26 36 15 o -1.199000      1.341000      69.70300      -111.0 
1 1 1 26 36 16 o -2.254000      1.341000      122.8686      153.9  
1 1 1 26 36 17 o 3.250000       1.676000      220.5495      -128.6 
1 1 1 26 36 18 o -1.042000      1.662000      47.82549      -5.9   
1 1 1 26 36 19 o -0.4797000     1.665000      110.4812      0.9    
1 1 1 26 36 20 o 2.372000       1.423000      257.7613      -48.7  
1 1 1 26 36 21 o 1.097000       1.400000      68.98877      157.9  
1 1 1 26 36 22 o 2.363000       1.417000      167.5730      -164.2 
1 1 1 26 36 23 o -0.8730000     1.373000      67.19728      46.9   
1 1 1 26 36 24 o 0.4729000      1.387000      42.46865      37.6   
1 1 1 26 36 25 o -0.5689000     1.368000      141.3507      24.6   
1 1 1 26 36 26 o 1.365000       1.376000      104.8928      14.8   
1 1 1 26 36 27 o -0.5128000     1.337000      123.2794      101.4  
1 1 1 26 36 28 o -0.4457000     1.330000      101.5559      -129.9 
1 1 1 26 36 29 o 0.8788000      1.280000      96.93783      38.6   
1 1 1 26 36 30 o -0.3042000     1.278000      ?             ?      
1 1 1 26 36 31 o 0.8816000      1.298000      ?             ?      
1 1 1 26 36 32 o -0.3736000     1.310000      ?             ?      
1 1 1 26 36 33 o 2.468000       1.265000      ?             ?      
1 1 1 26 36 34 o -0.5038000     1.416000      ?             ?      
1 1 1 26 36 35 o -0.8421000     1.419000      ?             ?      
1 1 1 26 36 36 o 0.8465000      1.169000      ?             ?      
1 1 1 26 36 37 o -1.532000      1.078000      ?             ?      
1 1 1 26 36 38 o 0.4941000      1.103000      ?             ?      
1 1 1 26 36 39 o -0.2107000     1.082000      ?             ?      
1 1 1 26 36 40 o -0.7511000     1.088000      ?             ?      
1 1 1 26 36 41 o -1.153000      0.9784000     ?             ?      
1 1 1 26 36 42 o -0.4368000     0.9918000     ?             ?      
1 1 1 26 36 43 o 1.124000       0.9945000     ?             ?      
1 1 1 26 36 44 o 0.1081000      1.137000      ?             ?      
1 1 1 26 36 45 o 0.7863000      1.157000      ?             ?      
1 1 1 26 36 46 o 0.4917000      1.312000      ?             ?      
1 1 1 26 36 47 o -1.790000      1.193000      ?             ?      
1 1 1 26 36 48 o 0.5801000      1.228000      ?             ?      
1 1 1 26 36 49 o 0.2768000E-02  1.048000      ?             ?      
1 1 1 26 36 50 o 1.745000       1.110000      ?             ?      
1 1 1 26 36 51 o 1.275000       1.120000      ?             ?      
1 1 1 26 36 52 o -1.798000      1.573000      ?             ?      
1 1 1 26 36 53 o -0.5204000     1.292000      ?             ?      
1 1 1 26 36 54 o -0.1748000E-02 1.608000      ?             ?      
1 1 1 26 37 0  o 1.099000       1.215000      136.3925      180.0  
1 1 1 26 37 1  o 2.215000       0.8653000     205.1610      44.1   
1 1 1 26 37 2  o 1.864000       0.8537000     215.0042      -25.1  
1 1 1 26 37 3  o 0.4051000      0.8457000     124.2904      -36.8  
1 1 1 26 37 4  o 3.379000       0.8895000     151.8616      87.4   
1 1 1 26 37 5  o 3.645000       0.9372000     169.3674      114.0  
1 1 1 26 37 6  o 0.7410000      1.156000      72.13625      -70.7  
1 1 1 26 37 7  o 0.4798000      1.101000      136.0258      51.6   
1 1 1 26 37 8  o 1.653000       1.117000      205.9003      128.8  
1 1 1 26 37 9  o 0.4744000      1.120000      96.88168      87.3   
1 1 1 26 37 10 o 0.2329000      1.151000      32.18719      -174.4 
1 1 1 26 37 11 o 2.975000       1.516000      176.5030      45.4   
1 1 1 26 37 12 o 3.535000       1.557000      149.7770      -87.3  
1 1 1 26 37 13 o 1.813000       1.586000      176.8127      122.6  
1 1 1 26 37 14 o 3.460000       1.392000      155.3479      -16.1  
1 1 1 26 37 15 o 1.658000       1.341000      51.71841      176.9  
1 1 1 26 37 16 o 0.3763000      1.412000      118.4947      -42.6  
1 1 1 26 37 17 o 3.105000       1.820000      323.8403      164.9  
1 1 1 26 37 18 o 4.007000       2.314000      61.59019      -24.5  
1 1 1 26 37 19 o -2.103000      1.635000      169.6403      2.3    
1 1 1 26 37 20 o 1.996000       1.437000      209.3295      -100.5 
1 1 1 26 37 21 o -0.3341000     1.398000      108.8070      79.4   
1 1 1 26 37 22 o -0.8911000     1.385000      54.46103      -82.0  
1 1 1 26 37 23 o 4.584000       1.469000      204.2111      114.7  
1 1 1 26 37 24 o 0.4603000      1.402000      127.5284      162.0  
1 1 1 26 37 25 o 7.722000       1.420000      258.4805      134.0  
1 1 1 26 37 26 o 2.117000       1.376000      53.49500      -78.8  
1 1 1 26 37 27 o 0.9728000      1.355000      122.6627      163.3  
1 1 1 26 37 28 o 1.483000       1.336000      ?             ?      
1 1 1 26 37 29 o -0.7938000     1.312000      ?             ?      
1 1 1 26 37 30 o 0.8379000      1.324000      ?             ?      
1 1 1 26 37 31 o -2.115000      1.251000      ?             ?      
1 1 1 26 37 32 o 0.9005000      1.251000      ?             ?      
1 1 1 26 37 33 o 0.3931000E-02  1.264000      ?             ?      
1 1 1 26 37 34 o 2.844000       1.445000      ?             ?      
1 1 1 26 37 35 o 0.9024000      1.351000      ?             ?      
1 1 1 26 37 36 o 0.3289000      1.483000      ?             ?      
1 1 1 26 37 37 o 1.454000       1.203000      ?             ?      
1 1 1 26 37 38 o -1.685000      1.114000      ?             ?      
1 1 1 26 37 39 o 0.1092000      0.9734000     ?             ?      
1 1 1 26 37 40 o 1.363000       0.9806000     ?             ?      
1 1 1 26 37 41 o 1.278000       0.9793000     ?             ?      
1 1 1 26 37 42 o 0.4546000      0.9793000     ?             ?      
1 1 1 26 37 43 o 0.1010000      0.9711000     ?             ?      
1 1 1 26 37 44 o -1.093000      0.9905000     ?             ?      
1 1 1 26 37 45 o 1.085000       1.146000      ?             ?      
1 1 1 26 37 46 o -0.9694000E-01 1.175000      ?             ?      
1 1 1 26 37 47 o 2.857000       1.250000      ?             ?      
1 1 1 26 37 48 o -0.1355000     1.106000      ?             ?      
1 1 1 26 37 49 o -0.3827000     1.135000      ?             ?      
1 1 1 26 37 50 o 0.2884000E-01  1.167000      ?             ?      
1 1 1 26 37 51 o -1.009000      1.179000      ?             ?      
1 1 1 26 37 52 o -0.4510000     1.278000      ?             ?      
1 1 1 26 37 53 o -0.3845000     1.187000      ?             ?      
1 1 1 26 38 0  o -1.411000      1.232000      61.59436      180.0  
1 1 1 26 38 1  o -0.4681000     0.8824000     212.7672      80.7   
1 1 1 26 38 2  o -1.041000      0.8784000     58.99867      14.4   
1 1 1 26 38 3  o -0.3158000     0.8756000     75.63999      49.4   
1 1 1 26 38 4  o 1.023000       0.8955000     198.1472      163.9  
1 1 1 26 38 5  o -1.803000      0.9330000     77.54660      -14.8  
1 1 1 26 38 6  o -1.166000      1.156000      75.86664      118.9  
1 1 1 26 38 7  o 0.6577000      1.126000      101.4830      22.0   
1 1 1 26 38 8  o 4.217000       1.169000      277.7194      -178.9 
1 1 1 26 38 9  o 1.022000       1.166000      88.66355      -108.1 
1 1 1 26 38 10 o 1.032000       1.486000      113.3293      -143.9 
1 1 1 26 38 11 o 0.5511000      1.537000      83.18864      25.9   
1 1 1 26 38 12 o 1.866000       1.575000      100.2434      174.1  
1 1 1 26 38 13 o -1.549000      1.390000      72.40246      103.8  
1 1 1 26 38 14 o 0.9247000      1.391000      152.8731      135.0  
1 1 1 26 38 15 o -1.094000      1.396000      69.90820      -77.1  
1 1 1 26 38 16 f 2.295000       1.451000      163.5602      -151.8 
1 1 1 26 38 17 o -2.654000      2.286000      122.2293      40.9   
1 1 1 26 38 18 o 0.5017000      2.249000      180.8162      25.3   
1 1 1 26 38 19 o -1.895000      1.637000      165.4588      20.2   
1 1 1 26 38 20 o 2.626000       1.396000      196.7649      120.6  
1 1 1 26 38 21 o 0.1810000      1.382000      76.40884      133.7  
1 1 1 26 38 22 o 0.8391000      1.385000      107.7837      139.7  
1 1 1 26 38 23 o -0.3417000     1.376000      123.9597      -45.5  
1 1 1 26 38 24 o 0.9293000      1.374000      93.11133      -96.1  
1 1 1 26 38 25 o -0.5011000     1.376000      107.0912      -60.1  
1 1 1 26 38 26 o 3.238000       1.392000      ?             ?      
1 1 1 26 38 27 o 2.105000       1.394000      ?             ?      
1 1 1 26 38 28 o 1.704000       1.378000      ?             ?      
1 1 1 26 38 29 o 1.585000       1.311000      ?             ?      
1 1 1 26 38 30 o 0.1991000      1.279000      ?             ?      
1 1 1 26 38 31 o -0.1962000E-01 1.261000      ?             ?      
1 1 1 26 38 32 o 2.264000       1.246000      ?             ?      
1 1 1 26 38 33 o 5.657000       1.530000      ?             ?      
1 1 1 26 38 34 o 0.4842000      1.479000      ?             ?      
1 1 1 26 38 35 o -3.511000      1.656000      ?             ?      
1 1 1 26 38 36 o 2.122000       2.302000      ?             ?      
1 1 1 26 38 37 o 0.2663000      1.322000      ?             ?      
1 1 1 26 38 38 o 1.730000       1.239000      ?             ?      
1 1 1 26 38 39 o 0.9534000E-01  0.9623000     ?             ?      
1 1 1 26 38 40 o -0.2292000     0.9648000     ?             ?      
1 1 1 26 38 41 f -0.9986000     0.9717000     ?             ?      
1 1 1 26 38 42 o -0.2068000     0.9604000     ?             ?      
1 1 1 26 38 43 o 3.528000       0.9881000     ?             ?      
1 1 1 26 38 44 o 1.572000       0.9910000     ?             ?      
1 1 1 26 38 45 o 1.576000       1.127000      ?             ?      
1 1 1 26 38 46 o 0.8970000      1.137000      ?             ?      
1 1 1 26 38 47 o -0.8370000     1.223000      ?             ?      
1 1 1 26 38 48 o -0.6081000     1.113000      ?             ?      
1 1 1 26 38 49 o 0.6470000E-01  1.108000      ?             ?      
1 1 1 26 38 50 o 1.257000       1.107000      ?             ?      
1 1 1 26 38 51 o -0.4119000     1.498000      ?             ?      
1 1 1 26 38 52 o 0.6563000      1.435000      ?             ?      
1 1 1 26 39 0  o 3.824000       1.280000      155.4581      -0.0   
1 1 1 26 39 1  o 1.067000       0.9078000     156.7147      62.0   
1 1 1 26 39 2  o 3.508000       0.9277000     329.0538      -142.5 
1 1 1 26 39 3  o 4.741000       0.9430000     270.3972      100.0  
1 1 1 26 39 4  o 2.707000       0.9270000     182.7671      111.6  
1 1 1 26 39 5  o 0.3618000E-02  0.9385000     90.28349      -160.4 
1 1 1 26 39 6  o -0.4594000     0.9921000     96.35407      -90.3  
1 1 1 26 39 7  o 3.995000       1.162000      152.9131      21.0   
1 1 1 26 39 8  o -0.3887000E-01 1.194000      151.0739      -111.5 
1 1 1 26 39 9  o 1.003000       1.198000      156.3122      -108.5 
1 1 1 26 39 10 o 1.218000       1.501000      105.2298      -69.4  
1 1 1 26 39 11 o 1.560000       1.581000      201.2958      -32.2  
1 1 1 26 39 12 o -0.2684000     1.409000      261.3865      131.0  
1 1 1 26 39 13 o 4.660000       1.426000      207.4484      -161.5 
1 1 1 26 39 14 f -1.382000      1.398000      81.89162      14.2   
1 1 1 26 39 15 o 0.2038000      1.427000      63.82688      -91.2  
1 1 1 26 39 16 o -0.9093000     1.428000      102.6661      -35.3  
1 1 1 26 39 17 o 4.297000       2.275000      224.5905      145.6  
1 1 1 26 39 18 o 1.455000       2.270000      42.48117      -128.4 
1 1 1 26 39 19 o -0.1573000     1.617000      163.5447      -126.9 
1 1 1 26 39 20 o 1.579000       1.648000      242.6646      -169.1 
1 1 1 26 39 21 o 1.010000       1.384000      107.7639      82.6   
1 1 1 26 39 22 o 1.271000       1.382000      188.3032      -2.0   
1 1 1 26 39 23 o 3.268000       1.373000      109.0546      155.8  
1 1 1 26 39 24 o -1.107000      1.358000      ?             ?      
1 1 1 26 39 25 o 1.567000       1.386000      ?             ?      
1 1 1 26 39 26 o 1.165000       1.349000      ?             ?      
1 1 1 26 39 27 o -1.210000      1.337000      ?             ?      
1 1 1 26 39 28 o 1.327000       1.334000      ?             ?      
1 1 1 26 39 29 o 0.8916000      1.288000      ?             ?      
1 1 1 26 39 30 o 0.4179000      1.349000      ?             ?      
1 1 1 26 39 31 o -0.2265000     1.418000      ?             ?      
1 1 1 26 39 32 o -1.792000      1.512000      ?             ?      
1 1 1 26 39 33 o 0.1764000      2.255000      ?             ?      
1 1 1 26 39 34 o -1.157000      1.253000      ?             ?      
1 1 1 26 39 35 o 1.078000       1.237000      ?             ?      
1 1 1 26 39 36 o 1.850000       1.382000      ?             ?      
1 1 1 26 39 37 o 1.062000       1.346000      ?             ?      
1 1 1 26 39 38 o -0.2462000     1.175000      ?             ?      
1 1 1 26 39 39 o 0.2916000      1.206000      ?             ?      
1 1 1 26 39 40 o -0.7879000     0.9631000     ?             ?      
1 1 1 26 39 41 o 0.1201000      0.9658000     ?             ?      
1 1 1 26 39 42 o -1.372000      1.053000      ?             ?      
1 1 1 26 39 43 o 1.158000       0.9888000     ?             ?      
1 1 1 26 39 44 o 1.317000       1.005000      ?             ?      
1 1 1 26 39 45 o 1.010000       1.005000      ?             ?      
1 1 1 26 39 46 o 1.081000       1.111000      ?             ?      
1 1 1 26 39 47 o 0.6953000      1.192000      ?             ?      
1 1 1 26 39 48 o -0.8531000     1.217000      ?             ?      
1 1 1 26 39 49 o -1.269000      1.566000      ?             ?      
1 1 1 26 39 50 o -1.181000      1.300000      ?             ?      
1 1 1 26 39 51 o -2.675000      1.385000      ?             ?      
1 1 1 26 40 0  o 1.323000       1.281000      30.59900      180.0  
1 1 1 26 40 1  o 1.033000       0.9114000     132.7962      101.3  
1 1 1 26 40 2  o 0.5358000      0.9348000     115.7394      -177.7 
1 1 1 26 40 3  o 2.372000       0.9500000     102.5798      17.0   
1 1 1 26 40 4  o 3.245000       0.9654000     343.2263      -154.0 
1 1 1 26 40 5  o 3.845000       0.9890000     377.8461      28.0   
1 1 1 26 40 6  o 6.893000       1.021000      325.5432      48.0   
1 1 1 26 40 7  o -0.2029000     1.173000      201.9390      -25.3  
1 1 1 26 40 8  o 4.470000       1.265000      362.6704      -155.6 
1 1 1 26 40 9  o 1.338000       1.530000      179.3418      -111.3 
1 1 1 26 40 10 o 0.8738000      1.519000      43.90645      101.0  
1 1 1 26 40 11 o 1.274000       1.594000      227.8201      152.7  
1 1 1 26 40 12 o 1.282000       1.400000      51.69249      101.5  
1 1 1 26 40 13 o 6.448000       1.441000      293.8145      152.9  
1 1 1 26 40 14 o -0.2199000     1.385000      29.03645      -141.9 
1 1 1 26 40 15 o 0.9103000E-01  1.399000      57.65275      163.4  
1 1 1 26 40 16 o -0.5882000E-02 1.693000      30.45776      -135.5 
1 1 1 26 40 17 o 1.054000       2.178000      100.4782      116.7  
1 1 1 26 40 18 o 1.216000       1.627000      137.9785      -37.8  
1 1 1 26 40 19 o 4.460000       1.650000      222.0466      -109.3 
1 1 1 26 40 20 o 1.220000       1.674000      234.6656      104.4  
1 1 1 26 40 21 o 0.9721000      1.655000      216.5983      85.1   
1 1 1 26 40 22 o 0.4607000      1.387000      ?             ?      
1 1 1 26 40 23 o -1.776000      1.379000      ?             ?      
1 1 1 26 40 24 o -0.2101000     1.350000      ?             ?      
1 1 1 26 40 25 o 1.415000       1.393000      ?             ?      
1 1 1 26 40 26 o -1.599000      1.354000      ?             ?      
1 1 1 26 40 27 o 0.7197000      1.424000      ?             ?      
1 1 1 26 40 28 o 4.526000       1.403000      ?             ?      
1 1 1 26 40 29 o -0.1041000     1.353000      ?             ?      
1 1 1 26 40 30 o -2.244000      1.574000      ?             ?      
1 1 1 26 40 31 o -1.001000      1.331000      ?             ?      
1 1 1 26 40 32 o 0.8307000      1.460000      ?             ?      
1 1 1 26 40 33 o 0.3998000E-01  1.464000      ?             ?      
1 1 1 26 40 34 o 4.739000       1.291000      ?             ?      
1 1 1 26 40 35 o -0.9311000     1.404000      ?             ?      
1 1 1 26 40 36 o 0.8418000E-01  1.366000      ?             ?      
1 1 1 26 40 37 o 0.5113000      1.207000      ?             ?      
1 1 1 26 40 38 o 0.7364000      1.194000      ?             ?      
1 1 1 26 40 39 o 1.229000       1.165000      ?             ?      
1 1 1 26 40 40 o -2.229000      1.154000      ?             ?      
1 1 1 26 40 41 o 0.3075000      1.016000      ?             ?      
1 1 1 26 40 42 o -0.4330000     0.9691000     ?             ?      
1 1 1 26 40 43 o 0.5551000      0.9891000     ?             ?      
1 1 1 26 40 44 o -0.3217000     1.005000      ?             ?      
1 1 1 26 40 45 o 1.526000       0.9907000     ?             ?      
1 1 1 26 40 46 o -1.454000      1.103000      ?             ?      
1 1 1 26 40 47 o 0.3352000      1.129000      ?             ?      
1 1 1 26 40 48 o -2.203000      1.764000      ?             ?      
1 1 1 26 40 49 o 1.652000       1.204000      ?             ?      
1 1 1 26 40 50 o 0.9589000E-01  1.790000      ?             ?      
1 1 1 26 41 0  o -0.2964000     1.302000      181.6441      -180.0 
1 1 1 26 41 1  o 3.052000       0.9314000     185.1808      157.1  
1 1 1 26 41 2  o 2.652000       0.9538000     156.1707      -137.3 
1 1 1 26 41 3  o 13.20000       1.087000      521.8059      66.9   
1 1 1 26 41 4  o 4.239000       0.9846000     240.1864      147.0  
1 1 1 26 41 5  o 5.298000       1.007000      398.0149      -121.4 
1 1 1 26 41 6  o 4.464000       1.018000      330.1571      105.1  
1 1 1 26 41 7  o 3.432000       1.208000      259.5390      -18.6  
1 1 1 26 41 8  o 6.575000       1.473000      335.6312      -79.8  
1 1 1 26 41 9  o 0.8941000      1.537000      222.7767      -124.9 
1 1 1 26 41 10 o -0.5164000     1.540000      95.65010      -116.2 
1 1 1 26 41 11 o 5.430000       1.441000      289.7513      -1.1   
1 1 1 26 41 12 o 6.990000       1.462000      329.3349      -173.1 
1 1 1 26 41 13 o -1.637000      1.363000      75.93736      -179.9 
1 1 1 26 41 14 o -0.6770000     1.411000      60.32853      -132.5 
1 1 1 26 41 15 o 5.181000       1.664000      362.2440      -32.0  
1 1 1 26 41 16 o -0.4353000     2.145000      50.80820      34.1   
1 1 1 26 41 17 o -0.4520000     2.150000      173.3451      -59.3  
1 1 1 26 41 18 o -1.035000      1.626000      169.1895      4.8    
1 1 1 26 41 19 o 3.009000       1.657000      ?             ?      
1 1 1 26 41 20 o 0.6729000      1.628000      ?             ?      
1 1 1 26 41 21 o 0.9119000      1.592000      ?             ?      
1 1 1 26 41 22 o 2.423000       1.629000      ?             ?      
1 1 1 26 41 23 o 1.452000       1.366000      ?             ?      
1 1 1 26 41 24 o 0.2271000      1.347000      ?             ?      
1 1 1 26 41 25 o 0.3465000      1.396000      ?             ?      
1 1 1 26 41 26 o 6.239000       1.738000      ?             ?      
1 1 1 26 41 27 o 4.228000       1.637000      ?             ?      
1 1 1 26 41 28 o -0.4553000     1.556000      ?             ?      
1 1 1 26 41 29 o 1.117000       1.308000      ?             ?      
1 1 1 26 41 30 o 1.570000       1.320000      ?             ?      
1 1 1 26 41 31 o 0.2604000      1.498000      ?             ?      
1 1 1 26 41 32 o 1.050000       1.513000      ?             ?      
1 1 1 26 41 33 o 0.1440000      1.296000      ?             ?      
1 1 1 26 41 34 o -0.2737000     1.276000      ?             ?      
1 1 1 26 41 35 o 0.2451000E-02  1.407000      ?             ?      
1 1 1 26 41 36 o 1.486000       1.375000      ?             ?      
1 1 1 26 41 37 o 1.684000       1.223000      ?             ?      
1 1 1 26 41 38 o 1.281000       1.218000      ?             ?      
1 1 1 26 41 39 o 0.8577000      1.224000      ?             ?      
1 1 1 26 41 40 o 0.2519000      1.202000      ?             ?      
1 1 1 26 41 41 o 1.401000       1.200000      ?             ?      
1 1 1 26 41 42 o 0.2060000      1.238000      ?             ?      
1 1 1 26 41 43 o 0.3442000      0.9836000     ?             ?      
1 1 1 26 41 44 o 3.273000       1.428000      ?             ?      
1 1 1 26 41 45 o -0.3949000E-01 0.9966000     ?             ?      
1 1 1 26 41 46 o 1.001000       1.455000      ?             ?      
1 1 1 26 41 47 o -0.6385000     1.138000      ?             ?      
1 1 1 26 41 48 o 1.978000       1.293000      ?             ?      
1 1 1 26 41 49 o 1.066000       1.441000      ?             ?      
1 1 1 26 42 0  o 1.161000       1.297000      120.4939      180.0  
1 1 1 26 42 1  o 0.9361000      0.9270000     273.2867      18.0   
1 1 1 26 42 2  o 0.5336000      0.9368000     133.6845      -123.7 
1 1 1 26 42 3  o 0.3784000      0.9421000     77.60012      -54.0  
1 1 1 26 42 4  o 0.2367000      0.9344000     160.5846      -117.5 
1 1 1 26 42 5  o -0.1941000     0.9483000     18.86177      27.7   
1 1 1 26 42 6  o 1.773000       0.9885000     137.4191      26.3   
1 1 1 26 42 7  o 2.200000       1.211000      254.7124      -162.5 
1 1 1 26 42 8  o 2.892000       1.575000      189.8825      -1.5   
1 1 1 26 42 9  o -0.2922000     1.537000      95.85509      -139.4 
1 1 1 26 42 10 o 0.2459000      1.584000      168.9291      144.3  
1 1 1 26 42 11 o 0.4913000      1.384000      34.95712      157.7  
1 1 1 26 42 12 o 4.250000       1.669000      271.6837      81.3   
1 1 1 26 42 13 o 8.692000       1.671000      264.8785      -137.9 
1 1 1 26 42 14 o 3.714000       1.629000      61.43227      99.0   
1 1 1 26 42 15 o 4.302000       1.766000      247.8428      19.7   
1 1 1 26 42 16 o 9.794000       2.350000      ?             ?      
1 1 1 26 42 17 o 4.443000       1.703000      ?             ?      
1 1 1 26 42 18 o 1.165000       1.639000      ?             ?      
1 1 1 26 42 19 o 4.074000       1.612000      ?             ?      
1 1 1 26 42 20 o 3.430000       1.610000      ?             ?      
1 1 1 26 42 21 o 1.938000       1.613000      ?             ?      
1 1 1 26 42 22 o -2.607000      1.569000      ?             ?      
1 1 1 26 42 23 o 1.633000       1.645000      ?             ?      
1 1 1 26 42 24 o -0.5101000     1.580000      ?             ?      
1 1 1 26 42 25 o -0.1347000     1.575000      ?             ?      
1 1 1 26 42 26 o -0.9779000     1.332000      ?             ?      
1 1 1 26 42 27 o -0.3822000     1.302000      ?             ?      
1 1 1 26 42 28 o 0.5146000      1.303000      ?             ?      
1 1 1 26 42 29 o -0.4681000     1.285000      ?             ?      
1 1 1 26 42 30 o -2.053000      1.364000      ?             ?      
1 1 1 26 42 31 o -1.773000      1.516000      ?             ?      
1 1 1 26 42 32 o -0.5163000E-01 1.341000      ?             ?      
1 1 1 26 42 33 o -0.4540000E-01 1.331000      ?             ?      
1 1 1 26 42 34 o -1.828000      1.446000      ?             ?      
1 1 1 26 42 35 o -2.658000      1.426000      ?             ?      
1 1 1 26 42 36 o -0.7955000     1.233000      ?             ?      
1 1 1 26 42 37 o -1.591000      1.214000      ?             ?      
1 1 1 26 42 38 o -0.5331000     1.223000      ?             ?      
1 1 1 26 42 39 o 2.248000       1.250000      ?             ?      
1 1 1 26 42 40 f -0.3208000E-01 1.230000      ?             ?      
1 1 1 26 42 41 o 0.6928000E-01  1.211000      ?             ?      
1 1 1 26 42 42 o -0.7203000E-01 1.186000      ?             ?      
1 1 1 26 42 43 o 0.9492000      1.267000      ?             ?      
1 1 1 26 42 44 o 2.037000       1.027000      ?             ?      
1 1 1 26 42 45 o -1.235000      0.9974000     ?             ?      
1 1 1 26 42 46 o 0.4787000      1.026000      ?             ?      
1 1 1 26 42 47 o -0.5290000     1.198000      ?             ?      
1 1 1 26 42 48 o 1.679000       1.242000      ?             ?      
1 1 1 26 43 0  o 2.497000       1.293000      78.36123      180.0  
1 1 1 26 43 1  o 2.590000       0.9287000     218.2548      11.0   
1 1 1 26 43 2  o 2.936000       0.9359000     275.0893      111.5  
1 1 1 26 43 3  o 0.3207000      0.9264000     136.5153      44.7   
1 1 1 26 43 4  o -0.8827000E-01 0.9325000     186.3835      -159.1 
1 1 1 26 43 5  o -0.4916000     0.9397000     94.86364      -110.5 
1 1 1 26 43 6  o -0.8642000     0.9756000     72.02113      -34.4  
1 1 1 26 43 7  o -0.2416000     1.469000      238.0783      38.5   
1 1 1 26 43 8  o 6.234000       1.591000      328.6923      -132.8 
1 1 1 26 43 9  o 2.708000       1.650000      105.3348      145.7  
1 1 1 26 43 10 o 0.6111000      1.577000      137.6172      -29.7  
1 1 1 26 43 11 o 3.971000       1.364000      221.8228      -27.1  
1 1 1 26 43 12 o -0.5304000     1.338000      ?             ?      
1 1 1 26 43 13 o 3.084000       1.372000      ?             ?      
1 1 1 26 43 14 o 0.3064000E-01  1.451000      ?             ?      
1 1 1 26 43 15 o -0.1757000     2.232000      ?             ?      
1 1 1 26 43 16 o 0.9182000      2.291000      ?             ?      
1 1 1 26 43 17 o 1.500000       1.667000      ?             ?      
1 1 1 26 43 18 o 6.568000       1.686000      ?             ?      
1 1 1 26 43 19 o 3.760000       1.626000      ?             ?      
1 1 1 26 43 20 o -2.254000      1.585000      ?             ?      
1 1 1 26 43 21 o 1.421000       1.606000      ?             ?      
1 1 1 26 43 22 o 2.563000       1.598000      ?             ?      
1 1 1 26 43 23 o -1.860000      1.545000      ?             ?      
1 1 1 26 43 24 o 0.8176000      1.556000      ?             ?      
1 1 1 26 43 25 o 1.242000       1.578000      ?             ?      
1 1 1 26 43 26 o -0.4735000     1.301000      ?             ?      
1 1 1 26 43 27 o 0.4639000      1.296000      ?             ?      
1 1 1 26 43 28 o -0.3664000     1.307000      ?             ?      
1 1 1 26 43 29 o 0.6239000      1.322000      ?             ?      
1 1 1 26 43 30 o 1.283000       1.531000      ?             ?      
1 1 1 26 43 31 o 0.2204000      1.513000      ?             ?      
1 1 1 26 43 32 o -0.7157000     1.362000      ?             ?      
1 1 1 26 43 33 o -0.5545000E-01 1.329000      ?             ?      
1 1 1 26 43 34 o -0.5507000     1.484000      ?             ?      
1 1 1 26 43 35 o -1.990000      1.446000      ?             ?      
1 1 1 26 43 36 o -0.6213000     1.244000      ?             ?      
1 1 1 26 43 37 o 2.656000       1.258000      ?             ?      
1 1 1 26 43 38 o 1.302000       1.257000      ?             ?      
1 1 1 26 43 39 o -0.6143000     1.225000      ?             ?      
1 1 1 26 43 40 o 0.8895000      1.237000      ?             ?      
1 1 1 26 43 41 o 1.979000       1.242000      ?             ?      
1 1 1 26 43 42 o 0.9508000      1.255000      ?             ?      
1 1 1 26 43 43 o -0.7605000E-01 1.217000      ?             ?      
1 1 1 26 43 44 o 2.140000       1.209000      ?             ?      
1 1 1 26 43 45 o -0.1170000     1.274000      ?             ?      
1 1 1 26 43 46 o 0.7434000      1.028000      ?             ?      
1 1 1 26 43 47 o -0.6151000     1.240000      ?             ?      
1 1 1 26 44 0  o -0.7653000E-01 1.270000      101.4218      0.0    
1 1 1 26 44 1  o -0.4771000     0.9050000     110.1775      -115.8 
1 1 1 26 44 2  o 0.6111000      0.9199000     176.5786      170.7  
1 1 1 26 44 3  o 2.803000       0.9332000     ?             ?      
1 1 1 26 44 4  o 0.4601000      0.9199000     ?             ?      
1 1 1 26 44 5  o 0.4832000      0.9396000     ?             ?      
1 1 1 26 44 6  o 2.648000       1.026000      ?             ?      
1 1 1 26 44 7  o 1.979000       2.095000      ?             ?      
1 1 1 26 44 8  o -0.2333000     2.158000      ?             ?      
1 1 1 26 44 9  o 0.2619000      1.246000      ?             ?      
1 1 1 26 44 10 o 0.6389000      1.241000      ?             ?      
1 1 1 26 44 11 o 3.054000       1.403000      ?             ?      
1 1 1 26 44 12 o 1.514000       1.371000      ?             ?      
1 1 1 26 44 13 o -0.9291000     1.343000      ?             ?      
1 1 1 26 44 14 o 0.1164000      1.671000      ?             ?      
1 1 1 26 44 15 o -1.581000      2.225000      ?             ?      
1 1 1 26 44 16 o 5.340000       1.724000      ?             ?      
1 1 1 26 44 17 o 0.2165000      1.614000      ?             ?      
1 1 1 26 44 18 o 0.6992000      1.666000      ?             ?      
1 1 1 26 44 19 o 0.2992000      1.568000      ?             ?      
1 1 1 26 44 20 o 0.3855000      1.519000      ?             ?      
1 1 1 26 44 21 o 0.7374000      1.532000      ?             ?      
1 1 1 26 44 22 o 1.476000       1.525000      ?             ?      
1 1 1 26 44 23 o -0.1664000     1.515000      ?             ?      
1 1 1 26 44 24 o 4.255000       1.548000      ?             ?      
1 1 1 26 44 25 o -0.7998000     1.509000      ?             ?      
1 1 1 26 44 26 o 1.021000       1.573000      ?             ?      
1 1 1 26 44 27 o 1.163000       1.295000      ?             ?      
1 1 1 26 44 28 o 0.7176000      1.345000      ?             ?      
1 1 1 26 44 29 o 0.7959000      1.572000      ?             ?      
1 1 1 26 44 30 o -0.1823000     1.560000      ?             ?      
1 1 1 26 44 31 o 0.8754000      1.343000      ?             ?      
1 1 1 26 44 32 o 0.2107000      1.313000      ?             ?      
1 1 1 26 44 33 o 2.102000       1.541000      ?             ?      
1 1 1 26 44 34 o 2.530000       1.532000      ?             ?      
1 1 1 26 44 35 o -0.6781000     1.302000      ?             ?      
1 1 1 26 44 36 o -0.2805000     1.296000      ?             ?      
1 1 1 26 44 37 o -1.924000      1.255000      ?             ?      
1 1 1 26 44 38 o 0.7581000      1.256000      ?             ?      
1 1 1 26 44 39 o -0.1532000     1.248000      ?             ?      
1 1 1 26 44 40 o -1.233000      1.224000      ?             ?      
1 1 1 26 44 41 o -2.022000      1.241000      ?             ?      
1 1 1 26 44 42 o 1.922000       1.257000      ?             ?      
1 1 1 26 44 43 o 0.1054000      1.249000      ?             ?      
1 1 1 26 44 44 o -1.335000      2.230000      ?             ?      
1 1 1 26 44 45 o -2.451000      1.204000      ?             ?      
1 1 1 26 44 46 o -3.061000      2.526000      ?             ?      
1 1 1 26 45 0  o 2.748000       1.284000      ?             ?      
1 1 1 26 45 1  o 1.372000       0.9052000     ?             ?      
1 1 1 26 45 2  o 2.421000       0.9094000     ?             ?      
1 1 1 26 45 3  o 0.2010000      0.8967000     ?             ?      
1 1 1 26 45 4  o -0.2187000E-01 0.8967000     ?             ?      
1 1 1 26 45 5  o 0.4079000E-01  0.9821000     ?             ?      
1 1 1 26 45 6  o 1.040000       1.018000      ?             ?      
1 1 1 26 45 7  o -0.1328000     1.466000      ?             ?      
1 1 1 26 45 8  o 3.747000       1.707000      ?             ?      
1 1 1 26 45 9  o 1.973000       1.312000      ?             ?      
1 1 1 26 45 10 f 0.7344000      1.235000      ?             ?      
1 1 1 26 45 11 o 0.2427000      1.046000      ?             ?      
1 1 1 26 45 12 o 1.056000       1.309000      ?             ?      
1 1 1 26 45 13 o 0.3070000      1.307000      ?             ?      
1 1 1 26 45 14 o 1.137000       1.672000      ?             ?      
1 1 1 26 45 15 o -2.260000      2.164000      ?             ?      
1 1 1 26 45 16 o -2.918000      1.636000      ?             ?      
1 1 1 26 45 17 o -1.630000      1.482000      ?             ?      
1 1 1 26 45 18 o -2.043000      1.479000      ?             ?      
1 1 1 26 45 19 o 0.8649000      1.515000      ?             ?      
1 1 1 26 45 20 o -0.4295000E-01 1.501000      ?             ?      
1 1 1 26 45 21 o 0.6645000      1.515000      ?             ?      
1 1 1 26 45 22 o -0.8084000     1.518000      ?             ?      
1 1 1 26 45 23 o 1.470000       1.537000      ?             ?      
1 1 1 26 45 24 o -0.6330000     1.532000      ?             ?      
1 1 1 26 45 25 o 0.7872000      1.545000      ?             ?      
1 1 1 26 45 26 o 1.257000       1.556000      ?             ?      
1 1 1 26 45 27 o 0.2273000      1.606000      ?             ?      
1 1 1 26 45 28 o -0.8024000     1.371000      ?             ?      
1 1 1 26 45 29 o 1.306000       1.593000      ?             ?      
1 1 1 26 45 30 o 1.728000       1.580000      ?             ?      
1 1 1 26 45 31 o 0.6955000      1.336000      ?             ?      
1 1 1 26 45 32 o -0.1641000     1.332000      ?             ?      
1 1 1 26 45 33 o -2.164000      1.515000      ?             ?      
1 1 1 26 45 34 o -0.2178000     1.533000      ?             ?      
1 1 1 26 45 35 o 0.7264000      1.290000      ?             ?      
1 1 1 26 45 36 o -0.4132000     1.298000      ?             ?      
1 1 1 26 45 37 o -1.120000      1.293000      ?             ?      
1 1 1 26 45 38 o 2.608000       1.303000      ?             ?      
1 1 1 26 45 39 o 1.075000       1.269000      ?             ?      
1 1 1 26 45 40 o -1.088000      1.269000      ?             ?      
1 1 1 26 45 41 o -0.8597000     1.280000      ?             ?      
1 1 1 26 45 42 o 0.6248000      1.245000      ?             ?      
1 1 1 26 45 43 o 0.1723000      1.253000      ?             ?      
1 1 1 26 45 44 o -0.2186000     1.271000      ?             ?      
1 1 1 26 45 45 < 0.000000       -1.000000     ?             ?      
1 1 1 26 46 0  o 0.6116000      1.248000      ?             ?      
1 1 1 26 46 1  o 1.164000       0.8949000     ?             ?      
1 1 1 26 46 2  o 3.407000       0.9982000     ?             ?      
1 1 1 26 46 3  o 0.7294000      0.9704000     ?             ?      
1 1 1 26 46 4  o -0.2459000     0.8853000     ?             ?      
1 1 1 26 46 5  o 1.331000       0.9777000     ?             ?      
1 1 1 26 46 6  o 2.967000       1.042000      ?             ?      
1 1 1 26 46 7  o 1.352000       1.498000      ?             ?      
1 1 1 26 46 8  o -0.6602000     1.194000      ?             ?      
1 1 1 26 46 9  o 0.9775000      1.176000      ?             ?      
1 1 1 26 46 10 o 0.8225000      1.137000      ?             ?      
1 1 1 26 46 11 o -1.393000      1.248000      ?             ?      
1 1 1 26 46 12 o -0.7672000     1.292000      ?             ?      
1 1 1 26 46 13 o 2.150000       1.605000      ?             ?      
1 1 1 26 46 14 o -1.046000      2.096000      ?             ?      
1 1 1 26 46 15 o 2.163000       2.059000      ?             ?      
1 1 1 26 46 16 o -1.262000      1.493000      ?             ?      
1 1 1 26 46 17 o -1.451000      1.445000      ?             ?      
1 1 1 26 46 18 o -1.181000      1.445000      ?             ?      
1 1 1 26 46 19 o 0.8940000E-01  1.498000      ?             ?      
1 1 1 26 46 20 o 0.7065000      1.526000      ?             ?      
1 1 1 26 46 21 o 1.217000       1.539000      ?             ?      
1 1 1 26 46 22 o 0.4967000      1.508000      ?             ?      
1 1 1 26 46 23 o 1.575000       1.552000      ?             ?      
1 1 1 26 46 24 o 1.027000       1.578000      ?             ?      
1 1 1 26 46 25 o 1.680000       1.565000      ?             ?      
1 1 1 26 46 26 o -0.7131000     1.616000      ?             ?      
1 1 1 26 46 27 o 0.7053000      1.620000      ?             ?      
1 1 1 26 46 28 o -1.316000      2.196000      ?             ?      
1 1 1 26 46 29 o 1.901000       2.291000      ?             ?      
1 1 1 26 46 30 o -0.1840000E-02 1.356000      ?             ?      
1 1 1 26 46 31 o 0.6188000      1.363000      ?             ?      
1 1 1 26 46 32 o 1.017000       1.588000      ?             ?      
1 1 1 26 46 33 o -0.8144000     1.542000      ?             ?      
1 1 1 26 46 34 o -0.2655000     1.319000      ?             ?      
1 1 1 26 46 35 o -2.078000      1.303000      ?             ?      
1 1 1 26 46 36 o -1.921000      1.321000      ?             ?      
1 1 1 26 46 37 o -1.300000      1.308000      ?             ?      
1 1 1 26 46 38 o 0.2229000      1.326000      ?             ?      
1 1 1 26 46 39 o 0.1823000      1.310000      ?             ?      
1 1 1 26 46 40 o -0.1130000     1.284000      ?             ?      
1 1 1 26 46 41 o 0.3653000      1.302000      ?             ?      
1 1 1 26 46 42 o 0.9733000      1.313000      ?             ?      
1 1 1 26 46 43 o -0.2403000     1.729000      ?             ?      
1 1 1 26 47 0  o 0.3553000      1.505000      ?             ?      
1 1 1 26 47 1  o 1.389000       0.9833000     ?             ?      
1 1 1 26 47 2  o 1.738000       1.164000      ?             ?      
1 1 1 26 47 3  o 2.124000       0.9010000     ?             ?      
1 1 1 26 47 4  o -0.2142000     0.8894000     ?             ?      
1 1 1 26 47 5  o 0.6908000      0.9252000     ?             ?      
1 1 1 26 47 6  o 0.8204000      1.028000      ?             ?      
1 1 1 26 47 7  o 0.1918000      1.159000      ?             ?      
1 1 1 26 47 8  o 2.025000       1.239000      ?             ?      
1 1 1 26 47 9  o 2.257000       1.232000      ?             ?      
1 1 1 26 47 10 o 0.4217000      1.136000      ?             ?      
1 1 1 26 47 11 o -1.352000      1.243000      ?             ?      
1 1 1 26 47 12 o 0.4579000      1.254000      ?             ?      
1 1 1 26 47 13 o -0.6088000E-01 1.519000      ?             ?      
1 1 1 26 47 14 o 3.778000       2.052000      ?             ?      
1 1 1 26 47 15 o 3.083000       1.521000      ?             ?      
1 1 1 26 47 16 o -0.7582000     1.437000      ?             ?      
1 1 1 26 47 17 o 1.105000       1.441000      ?             ?      
1 1 1 26 47 18 o 0.4072000      1.466000      ?             ?      
1 1 1 26 47 19 o 1.243000       1.476000      ?             ?      
1 1 1 26 47 20 o 0.2755000      1.503000      ?             ?      
1 1 1 26 47 21 o 2.904000       1.555000      ?             ?      
1 1 1 26 47 22 o 1.086000       1.496000      ?             ?      
1 1 1 26 47 23 o -0.1674000     1.514000      ?             ?      
1 1 1 26 47 24 o -0.3914000     1.524000      ?             ?      
1 1 1 26 47 25 o 0.3031000      1.623000      ?             ?      
1 1 1 26 47 26 o 1.700000       1.605000      ?             ?      
1 1 1 26 47 27 o -2.374000      2.160000      ?             ?      
1 1 1 26 47 28 o -0.5429000     2.173000      ?             ?      
1 1 1 26 47 29 o -1.542000      1.644000      ?             ?      
1 1 1 26 47 30 o -0.1873000     1.616000      ?             ?      
1 1 1 26 47 31 o 0.5673000      1.385000      ?             ?      
1 1 1 26 47 32 o 0.1513000      1.567000      ?             ?      
1 1 1 26 47 33 o 0.5956000      1.566000      ?             ?      
1 1 1 26 47 34 o 0.1188000      1.330000      ?             ?      
1 1 1 26 47 35 o -1.721000      1.326000      ?             ?      
1 1 1 26 47 36 o 0.1253000      1.317000      ?             ?      
1 1 1 26 47 37 f -2.101000      1.329000      ?             ?      
1 1 1 26 47 38 o -2.957000      2.421000      ?             ?      
1 1 1 26 47 39 o 0.1310000      1.377000      ?             ?      
1 1 1 26 47 40 o 0.6673000      1.347000      ?             ?      
1 1 1 26 47 41 o 0.9252000      1.329000      ?             ?      
1 1 1 26 47 42 o 0.8960000      3.272000      ?             ?      
1 1 1 26 48 0  o 0.1733000      1.249000      ?             ?      
1 1 1 26 48 1  o -0.8731000     0.8580000     ?             ?      
1 1 1 26 48 2  o -0.4821000E-01 0.8445000     ?             ?      
1 1 1 26 48 3  o -1.315000      0.9708000     ?             ?      
1 1 1 26 48 4  o 0.9826000      1.013000      ?             ?      
1 1 1 26 48 5  o -0.7718000     1.108000      ?             ?      
1 1 1 26 48 6  o 1.424000       1.155000      ?             ?      
1 1 1 26 48 7  o -0.8980000     1.156000      ?             ?      
1 1 1 26 48 8  o -1.736000      1.126000      ?             ?      
1 1 1 26 48 9  o -0.4938000E-02 1.104000      ?             ?      
1 1 1 26 48 10 o 0.2920000      1.101000      ?             ?      
1 1 1 26 48 11 o 1.593000       1.232000      ?             ?      
1 1 1 26 48 12 o 2.108000       1.252000      ?             ?      
1 1 1 26 48 13 o -0.5802000     1.488000      ?             ?      
1 1 1 26 48 14 o 0.4944000      1.981000      ?             ?      
1 1 1 26 48 15 o -0.3093000     1.479000      ?             ?      
1 1 1 26 48 16 o -0.9113000     1.439000      ?             ?      
1 1 1 26 48 17 o 1.669000       1.983000      ?             ?      
1 1 1 26 48 18 o -0.3399000     1.461000      ?             ?      
1 1 1 26 48 19 o -0.7173000     1.481000      ?             ?      
1 1 1 26 48 20 o -1.737000      1.499000      ?             ?      
1 1 1 26 48 21 o 0.9920000      1.498000      ?             ?      
1 1 1 26 48 22 o -0.4115000     1.488000      ?             ?      
1 1 1 26 48 23 o -0.1351000     1.491000      ?             ?      
1 1 1 26 48 24 o -1.398000      1.555000      ?             ?      
1 1 1 26 48 25 o -2.592000      1.570000      ?             ?      
1 1 1 26 48 26 o 1.638000       1.592000      ?             ?      
1 1 1 26 48 27 o -1.985000      2.138000      ?             ?      
1 1 1 26 48 28 o 0.3693000      2.186000      ?             ?      
1 1 1 26 48 29 o -0.2749000     1.576000      ?             ?      
1 1 1 26 48 30 o -1.105000      1.605000      ?             ?      
1 1 1 26 48 31 o -0.7612000     2.186000      ?             ?      
1 1 1 26 48 32 o -1.115000      1.594000      ?             ?      
1 1 1 26 48 33 o -0.1260000E-02 1.333000      ?             ?      
1 1 1 26 48 34 o -1.208000      1.331000      ?             ?      
1 1 1 26 48 35 o -1.948000      1.345000      ?             ?      
1 1 1 26 48 36 o 1.455000       1.367000      ?             ?      
1 1 1 26 48 37 o 0.7231000      1.142000      ?             ?      
1 1 1 26 48 38 o -0.2873000     1.359000      ?             ?      
1 1 1 26 48 39 o -1.089000      1.352000      ?             ?      
1 1 1 26 48 40 o -0.3232000     1.742000      ?             ?      
1 1 1 26 49 0  o 0.5592000      1.154000      ?             ?      
1 1 1 26 49 1  o 0.6247000      0.8185000     ?             ?      
1 1 1 26 49 2  o 0.4563000      0.8455000     ?             ?      
1 1 1 26 49 3  o -0.1558000E-02 0.9516000     ?             ?      
1 1 1 26 49 4  o -1.589000      0.9387000     ?             ?      
1 1 1 26 49 5  o -1.017000      0.9911000     ?             ?      
1 1 1 26 49 6  o -1.423000      1.434000      ?             ?      
1 1 1 26 49 7  o 0.7911000      1.134000      ?             ?      
1 1 1 26 49 8  o -0.9515000E-02 1.147000      ?             ?      
1 1 1 26 49 9  o 2.469000       1.105000      ?             ?      
1 1 1 26 49 10 o -0.7716000     1.079000      ?             ?      
1 1 1 26 49 11 o 0.4172000      1.206000      ?             ?      
1 1 1 26 49 12 o 0.1788000      1.444000      ?             ?      
1 1 1 26 49 13 o 2.702000       1.497000      ?             ?      
1 1 1 26 49 14 o -0.6565000     1.436000      ?             ?      
1 1 1 26 49 15 o -0.7060000     1.448000      ?             ?      
1 1 1 26 49 16 o 1.406000       1.449000      ?             ?      
1 1 1 26 49 17 o -0.7087000     1.438000      ?             ?      
1 1 1 26 49 18 o 0.5936000      1.456000      ?             ?      
1 1 1 26 49 19 o 0.2038000E-01  1.469000      ?             ?      
1 1 1 26 49 20 o -0.9353000     1.476000      ?             ?      
1 1 1 26 49 21 o -0.9103000     1.458000      ?             ?      
1 1 1 26 49 22 o 2.487000       1.509000      ?             ?      
1 1 1 26 49 23 o 0.9887000      1.539000      ?             ?      
1 1 1 26 49 24 o -0.9331000     1.547000      ?             ?      
1 1 1 26 49 25 o 0.2896000      1.560000      ?             ?      
1 1 1 26 49 26 o 1.273000       2.161000      ?             ?      
1 1 1 26 49 27 o -0.2878000     2.163000      ?             ?      
1 1 1 26 49 28 o 1.031000       1.600000      ?             ?      
1 1 1 26 49 29 o 1.903000       1.615000      ?             ?      
1 1 1 26 49 30 o -2.851000      1.623000      ?             ?      
1 1 1 26 49 31 o -2.496000      2.143000      ?             ?      
1 1 1 26 49 32 o 0.7501000      2.213000      ?             ?      
1 1 1 26 49 33 o -0.4370000     1.652000      ?             ?      
1 1 1 26 49 34 o -0.3494000E-01 1.342000      ?             ?      
1 1 1 26 49 35 o -0.1716000E-01 1.344000      ?             ?      
1 1 1 26 49 36 o -0.2517000     1.370000      ?             ?      
1 1 1 26 49 37 o -0.2015000     1.375000      ?             ?      
1 1 1 26 49 38 o 0.4020000      1.720000      ?             ?      
1 1 1 26 49 39 o 1.023000       2.100000      ?             ?      
1 1 1 26 50 0  o -0.9856000     1.260000      ?             ?      
1 1 1 26 50 1  o -0.8976000     0.8552000     ?             ?      
1 1 1 26 50 2  o -0.4353000     0.8187000     ?             ?      
1 1 1 26 50 3  o 0.5941000      1.143000      ?             ?      
1 1 1 26 50 4  o 1.529000       1.159000      ?             ?      
1 1 1 26 50 5  o 0.7238000      0.9355000     ?             ?      
1 1 1 26 50 6  o 0.2227000      0.9227000     ?             ?      
1 1 1 26 50 7  o -0.4585000     1.194000      ?             ?      
1 1 1 26 50 8  o 0.4918000      1.235000      ?             ?      
1 1 1 26 50 9  o 0.2981000      1.075000      ?             ?      
1 1 1 26 50 10 o -0.5009000     1.093000      ?             ?      
1 1 1 26 50 11 o 0.8754000      1.210000      ?             ?      
1 1 1 26 50 12 o -1.733000      1.429000      ?             ?      
1 1 1 26 50 13 o -1.765000      1.482000      ?             ?      
1 1 1 26 50 14 o 0.2565000E-01  1.403000      ?             ?      
1 1 1 26 50 15 o -1.338000      1.459000      ?             ?      
1 1 1 26 50 16 o -1.646000      1.440000      ?             ?      
1 1 1 26 50 17 o -1.070000      1.449000      ?             ?      
1 1 1 26 50 18 o 1.718000       1.490000      ?             ?      
1 1 1 26 50 19 o -2.080000      1.460000      ?             ?      
1 1 1 26 50 20 o -0.9579000     1.433000      ?             ?      
1 1 1 26 50 21 o 1.729000       1.475000      ?             ?      
1 1 1 26 50 22 o 0.3737000      1.523000      ?             ?      
1 1 1 26 50 23 o 0.1062000      1.531000      ?             ?      
1 1 1 26 50 24 o -0.8394000     1.529000      ?             ?      
1 1 1 26 50 25 o 3.935000       2.198000      ?             ?      
1 1 1 26 50 26 o 0.6627000      2.187000      ?             ?      
1 1 1 26 50 27 o -0.5903000     1.622000      ?             ?      
1 1 1 26 50 28 o 0.7004000      1.633000      ?             ?      
1 1 1 26 50 29 o 0.1938000      1.610000      ?             ?      
1 1 1 26 50 30 o 2.041000       2.276000      ?             ?      
1 1 1 26 50 31 o -2.151000      2.208000      ?             ?      
1 1 1 26 50 32 o -0.8179000E-01 1.644000      ?             ?      
1 1 1 26 50 33 o -1.133000      3.131000      ?             ?      
1 1 1 26 50 34 o -0.3185000E-01 1.629000      ?             ?      
1 1 1 26 50 35 o 0.8256000      1.412000      ?             ?      
1 1 1 26 50 36 o 1.998000       1.684000      ?             ?      
1 1 1 26 50 37 o -2.120000      1.683000      ?             ?      
1 1 1 26 51 0  o -0.5224000     1.367000      ?             ?      
1 1 1 26 51 1  o -0.3179000E-01 0.9032000     ?             ?      
1 1 1 26 51 2  o -0.7548000     0.8494000     ?             ?      
1 1 1 26 51 3  o 0.1885000      0.8864000     ?             ?      
1 1 1 26 51 4  o 0.6668000      0.9249000     ?             ?      
1 1 1 26 51 5  o -1.450000      0.8853000     ?             ?      
1 1 1 26 51 6  o -1.148000      0.8540000     ?             ?      
1 1 1 26 51 7  o -0.1808000     1.031000      ?             ?      
1 1 1 26 51 8  o 0.8091000E-01  1.074000      ?             ?      
1 1 1 26 51 9  o -0.7355000     1.061000      ?             ?      
1 1 1 26 51 10 o 1.562000       1.254000      ?             ?      
1 1 1 26 51 11 o -0.6829000     1.438000      ?             ?      
1 1 1 26 51 12 o 0.7420000      1.413000      ?             ?      
1 1 1 26 51 13 o 0.1399000      1.911000      ?             ?      
1 1 1 26 51 14 o -0.4496000     1.468000      ?             ?      
1 1 1 26 51 15 o 0.8193000E-01  1.494000      ?             ?      
1 1 1 26 51 16 o -0.6450000     1.455000      ?             ?      
1 1 1 26 51 17 o -0.8899000E-01 1.464000      ?             ?      
1 1 1 26 51 18 o 1.054000       1.499000      ?             ?      
1 1 1 26 51 19 o 3.638000       1.469000      ?             ?      
1 1 1 26 51 20 o -1.249000      1.468000      ?             ?      
1 1 1 26 51 21 o -0.5596000     1.537000      ?             ?      
1 1 1 26 51 22 o -1.605000      1.529000      ?             ?      
1 1 1 26 51 23 o 1.263000       1.552000      ?             ?      
1 1 1 26 51 24 o -0.8258000     1.557000      ?             ?      
1 1 1 26 51 25 o -1.500000      2.110000      ?             ?      
1 1 1 26 51 26 o -0.7193000     2.127000      ?             ?      
1 1 1 26 51 27 o -0.9938000     1.590000      ?             ?      
1 1 1 26 51 28 o 0.4911000      1.613000      ?             ?      
1 1 1 26 51 29 o 0.7263000      1.618000      ?             ?      
1 1 1 26 51 30 o 3.528000       4.336000      ?             ?      
1 1 1 26 51 31 o -0.8403000     1.068000      ?             ?      
1 1 1 26 51 32 o 0.4062000      1.622000      ?             ?      
1 1 1 26 51 33 o 0.3342000      1.638000      ?             ?      
1 1 1 26 51 34 o -1.386000      3.222000      ?             ?      
1 1 1 26 51 35 o 0.8260000      1.707000      ?             ?      
1 1 1 26 52 0  o -0.6155000     1.129000      ?             ?      
1 1 1 26 52 1  o 1.492000       0.8254000     ?             ?      
1 1 1 26 52 2  o 0.1855000      0.9198000     ?             ?      
1 1 1 26 52 3  o 0.4067000      0.9214000     ?             ?      
1 1 1 26 52 4  o -0.4413000     0.9010000     ?             ?      
1 1 1 26 52 5  o 0.5554000      0.8902000     ?             ?      
1 1 1 26 52 6  o -0.5819000     0.8970000     ?             ?      
1 1 1 26 52 7  o -2.012000      1.280000      ?             ?      
1 1 1 26 52 8  o -1.415000      1.209000      ?             ?      
1 1 1 26 52 9  o -0.3417000     1.063000      ?             ?      
1 1 1 26 52 10 o -0.7072000     1.087000      ?             ?      
1 1 1 26 52 11 o 0.9495000      1.441000      ?             ?      
1 1 1 26 52 12 o -1.543000      1.409000      ?             ?      
1 1 1 26 52 13 o -1.397000      1.427000      ?             ?      
1 1 1 26 52 14 o 0.9582000      2.004000      ?             ?      
1 1 1 26 52 15 o -1.399000      1.930000      ?             ?      
1 1 1 26 52 16 o -1.585000      1.463000      ?             ?      
1 1 1 26 52 17 o -1.194000      1.517000      ?             ?      
1 1 1 26 52 18 o 0.7912000      1.450000      ?             ?      
1 1 1 26 52 19 o 0.5553000      1.510000      ?             ?      
1 1 1 26 52 20 o -1.558000      1.544000      ?             ?      
1 1 1 26 52 21 o -1.025000      1.546000      ?             ?      
1 1 1 26 52 22 o 0.4465000      1.554000      ?             ?      
1 1 1 26 52 23 o -0.3918000     1.541000      ?             ?      
1 1 1 26 52 24 o 0.7330000      2.133000      ?             ?      
1 1 1 26 52 25 o -6.362000      3.998000      ?             ?      
1 1 1 26 52 26 o 0.5647000      2.977000      ?             ?      
1 1 1 26 52 27 o -1.263000      1.579000      ?             ?      
1 1 1 26 52 28 o 0.3525000      1.648000      ?             ?      
1 1 1 26 52 29 o 0.1872000      1.170000      ?             ?      
1 1 1 26 52 30 o 1.239000       2.251000      ?             ?      
1 1 1 26 52 31 o -0.9431000     1.691000      ?             ?      
1 1 1 26 52 32 o 0.2262000E-01  1.091000      ?             ?      
1 1 1 26 52 33 o -1.470000      1.689000      ?             ?      
1 1 1 26 53 0  o 0.9844000      1.135000      ?             ?      
1 1 1 26 53 1  o 0.2791000      0.8447000     ?             ?      
1 1 1 26 53 2  o -1.552000      0.8477000     ?             ?      
1 1 1 26 53 3  o 0.8624000      0.9281000     ?             ?      
1 1 1 26 53 4  o 1.261000       0.8920000     ?             ?      
1 1 1 26 53 5  o 1.229000       0.8318000     ?             ?      
1 1 1 26 53 6  o 1.246000       0.9280000     ?             ?      
1 1 1 26 53 7  o -0.6114000     1.046000      ?             ?      
1 1 1 26 53 8  o -1.700000      1.077000      ?             ?      
1 1 1 26 53 9  o 0.1306000      1.184000      ?             ?      
1 1 1 26 53 10 o 0.3288000      1.392000      ?             ?      
1 1 1 26 53 11 o -3.325000      1.936000      ?             ?      
1 1 1 26 53 12 o -1.813000      1.439000      ?             ?      
1 1 1 26 53 13 o -1.348000      1.425000      ?             ?      
1 1 1 26 53 14 o 0.5841000      1.460000      ?             ?      
1 1 1 26 53 15 o 0.6950000      1.472000      ?             ?      
1 1 1 26 53 16 o 0.7041000      1.475000      ?             ?      
1 1 1 26 53 17 o -1.377000      1.969000      ?             ?      
1 1 1 26 53 18 o 0.8759000E-01  2.125000      ?             ?      
1 1 1 26 53 19 o -1.669000      2.137000      ?             ?      
1 1 1 26 53 20 f 0.6922000      1.552000      ?             ?      
1 1 1 26 53 21 o 0.7816000      1.587000      ?             ?      
1 1 1 26 53 22 o 2.159000       1.587000      ?             ?      
1 1 1 26 53 23 o 0.4277000      1.614000      ?             ?      
1 1 1 26 53 24 o 3.542000       2.210000      ?             ?      
1 1 1 26 53 25 o 6.675000       4.356000      ?             ?      
1 1 1 26 53 26 o -0.8935000     1.632000      ?             ?      
1 1 1 26 53 27 o 0.4448000      1.636000      ?             ?      
1 1 1 26 53 28 o -0.7956000     1.652000      ?             ?      
1 1 1 26 53 29 o -1.806000      2.289000      ?             ?      
1 1 1 26 53 30 o -3.198000      2.335000      ?             ?      
1 1 1 26 53 31 o 0.5318000      1.670000      ?             ?      
1 1 1 26 54 0  o 0.1531000      1.166000      ?             ?      
1 1 1 26 54 1  o 0.6576000      0.8368000     ?             ?      
1 1 1 26 54 2  o -0.6904000     0.9052000     ?             ?      
1 1 1 26 54 3  o 0.2446000      0.9034000     ?             ?      
1 1 1 26 54 4  o -0.2281000     0.8805000     ?             ?      
1 1 1 26 54 5  f 0.4388000      0.8236000     ?             ?      
1 1 1 26 54 6  f 0.3654000      0.8609000     ?             ?      
1 1 1 26 54 7  o 0.3967000      1.040000      ?             ?      
1 1 1 26 54 8  o -0.8533000     1.092000      ?             ?      
1 1 1 26 54 9  o -1.581000      1.117000      ?             ?      
1 1 1 26 54 10 o 2.064000       1.292000      ?             ?      
1 1 1 26 54 11 o 1.621000       1.442000      ?             ?      
1 1 1 26 54 12 o 0.2063000      1.445000      ?             ?      
1 1 1 26 54 13 o 0.6241000      1.957000      ?             ?      
1 1 1 26 54 14 o -2.214000      2.018000      ?             ?      
1 1 1 26 54 15 o -1.753000      2.012000      ?             ?      
1 1 1 26 54 16 o 1.527000       1.293000      ?             ?      
1 1 1 26 54 17 o 2.986000       1.567000      ?             ?      
1 1 1 26 54 18 o -1.541000      0.9894000     ?             ?      
1 1 1 26 54 19 f 0.5301000      1.533000      ?             ?      
1 1 1 26 54 20 o 1.583000       1.570000      ?             ?      
1 1 1 26 54 21 o 1.449000       2.261000      ?             ?      
1 1 1 26 54 22 o 5.410000       4.445000      ?             ?      
1 1 1 26 54 23 o 1.282000       1.055000      ?             ?      
1 1 1 26 54 24 o -3.442000      2.189000      ?             ?      
1 1 1 26 54 25 o -0.2077000     1.664000      ?             ?      
1 1 1 26 54 26 o -3.581000      2.197000      ?             ?      
1 1 1 26 54 27 o 1.639000       1.672000      ?             ?      
1 1 1 26 54 28 o 2.494000       4.429000      ?             ?      
1 1 1 26 55 0  o -0.5336000     1.231000      ?             ?      
1 1 1 26 55 1  o -0.2781000     0.8421000     ?             ?      
1 1 1 26 55 2  o 0.2589000      0.8990000     ?             ?      
1 1 1 26 55 3  o -0.3520000     0.8812000     ?             ?      
1 1 1 26 55 4  o -1.083000      0.8061000     ?             ?      
1 1 1 26 55 5  o -0.5701000     0.8131000     ?             ?      
1 1 1 26 55 6  o -0.1132000     0.8622000     ?             ?      
1 1 1 26 55 7  o 1.256000       1.054000      ?             ?      
1 1 1 26 55 8  o 0.7642000      1.107000      ?             ?      
1 1 1 26 55 9  o 0.4392000      1.120000      ?             ?      
1 1 1 26 55 10 o -1.379000      1.269000      ?             ?      
1 1 1 26 55 11 o 0.5221000      1.279000      ?             ?      
1 1 1 26 55 12 o 0.8751000      1.212000      ?             ?      
1 1 1 26 55 13 o 1.528000       1.490000      ?             ?      
1 1 1 26 55 14 o -0.7740000     1.457000      ?             ?      
1 1 1 26 55 15 o 1.266000       1.512000      ?             ?      
1 1 1 26 55 16 o 0.6564000      1.551000      ?             ?      
1 1 1 26 55 17 o -1.193000      1.997000      ?             ?      
1 1 1 26 55 18 o -1.841000      2.019000      ?             ?      
1 1 1 26 55 19 o -0.3209000     2.574000      ?             ?      
1 1 1 26 55 20 o 0.3204000      1.043000      ?             ?      
1 1 1 26 55 21 o 1.557000       1.605000      ?             ?      
1 1 1 26 55 22 o 1.117000       2.147000      ?             ?      
1 1 1 26 55 23 o 1.387000       2.211000      ?             ?      
1 1 1 26 55 24 o -2.559000      1.662000      ?             ?      
1 1 1 26 55 25 o 0.1770000      2.317000      ?             ?      
1 1 1 26 55 26 f -1.456000      2.256000      ?             ?      
1 1 1 26 56 0  o -1.817000      1.253000      ?             ?      
1 1 1 26 56 1  o -0.5046000     0.9608000     ?             ?      
1 1 1 26 56 2  o -0.8035000     0.8896000     ?             ?      
1 1 1 26 56 3  o 0.6308000      0.9020000     ?             ?      
1 1 1 26 56 4  o 0.3584000      0.8086000     ?             ?      
1 1 1 26 56 5  o 1.049000       0.8243000     ?             ?      
1 1 1 26 56 6  o 1.564000       1.089000      ?             ?      
1 1 1 26 56 7  o 0.2289000      1.070000      ?             ?      
1 1 1 26 56 8  o 0.7938000      1.150000      ?             ?      
1 1 1 26 56 9  o 0.8009000E-01  1.124000      ?             ?      
1 1 1 26 56 10 o -1.200000      1.244000      ?             ?      
1 1 1 26 56 11 o 0.2423000      1.267000      ?             ?      
1 1 1 26 56 12 o -0.2671000     1.404000      ?             ?      
1 1 1 26 56 13 o 2.393000       1.515000      ?             ?      
1 1 1 26 56 14 o -1.527000      1.505000      ?             ?      
1 1 1 26 56 15 o -0.7487000     1.313000      ?             ?      
1 1 1 26 56 16 o -0.3467000E-01 1.555000      ?             ?      
1 1 1 26 56 17 o -0.6139000     1.565000      ?             ?      
1 1 1 26 56 18 o 1.858000       1.560000      ?             ?      
1 1 1 26 56 19 o 0.3642000      1.549000      ?             ?      
1 1 1 26 56 20 o -0.3738000     1.578000      ?             ?      
1 1 1 26 56 21 o -0.3714000     2.138000      ?             ?      
1 1 1 26 56 22 o 0.5556000      1.051000      ?             ?      
1 1 1 26 56 23 o -0.2374000     2.239000      ?             ?      
1 1 1 26 57 0  o -0.7162000     1.660000      ?             ?      
1 1 1 26 57 1  o 0.7309000      1.038000      ?             ?      
1 1 1 26 57 2  o 0.4487000      0.8968000     ?             ?      
1 1 1 26 57 3  o 1.168000       0.9313000     ?             ?      
1 1 1 26 57 4  f 0.9768000      0.8143000     ?             ?      
1 1 1 26 57 5  o 0.7615000      0.8255000     ?             ?      
1 1 1 26 57 6  o -1.488000      1.085000      ?             ?      
1 1 1 26 57 7  o -0.7158000     1.071000      ?             ?      
1 1 1 26 57 8  o -0.5402000     1.146000      ?             ?      
1 1 1 26 57 9  o -0.8049000E-01 1.268000      ?             ?      
1 1 1 26 57 10 o 0.3117000      1.253000      ?             ?      
1 1 1 26 57 11 o 1.184000       1.119000      ?             ?      
1 1 1 26 57 12 o 0.1996000      1.454000      ?             ?      
1 1 1 26 57 13 o -0.9665000     1.572000      ?             ?      
1 1 1 26 57 14 o -0.8628000     1.545000      ?             ?      
1 1 1 26 57 15 o -0.1079000E-01 1.312000      ?             ?      
1 1 1 26 57 16 o -0.1467000     1.520000      ?             ?      
1 1 1 26 57 17 o -1.909000      1.527000      ?             ?      
1 1 1 26 57 18 o -0.7915000     1.564000      ?             ?      
1 1 1 26 57 19 o 2.913000       1.614000      ?             ?      
1 1 1 26 57 20 < 0.000000       -1.000000     ?             ?      
1 1 1 26 58 0  o 0.4124000      1.689000      ?             ?      
1 1 1 26 58 1  o -0.6693000     1.027000      ?             ?      
1 1 1 26 58 2  o 0.9505000      0.9412000     ?             ?      
1 1 1 26 58 3  o 0.8292000      1.133000      ?             ?      
1 1 1 26 58 4  o -0.1780000     0.8071000     ?             ?      
1 1 1 26 58 5  o 0.2889000      0.8228000     ?             ?      
1 1 1 26 58 6  o -1.508000      1.077000      ?             ?      
1 1 1 26 58 7  o -1.647000      1.064000      ?             ?      
1 1 1 26 58 8  o -2.187000      1.148000      ?             ?      
1 1 1 26 58 9  o -0.5890000E-01 1.281000      ?             ?      
1 1 1 26 58 10 o 0.8991000      1.258000      ?             ?      
1 1 1 26 58 11 o -1.467000      1.131000      ?             ?      
1 1 1 26 58 12 o 0.1770000      1.494000      ?             ?      
1 1 1 26 58 13 o -0.7233000E-01 1.595000      ?             ?      
1 1 1 26 58 14 o 0.8632000      1.589000      ?             ?      
1 1 1 26 58 15 o -0.3258000     1.546000      ?             ?      
1 1 1 26 59 0  o -0.1915000     1.699000      ?             ?      
1 1 1 26 59 1  o 1.930000       1.130000      ?             ?      
1 1 1 26 59 2  o -0.1663000     0.8997000     ?             ?      
1 1 1 26 59 3  o -0.3325000     0.9451000     ?             ?      
1 1 1 26 59 4  o -0.1770000     0.8334000     ?             ?      
1 1 1 26 59 5  o -1.094000      1.207000      ?             ?      
1 1 1 26 59 6  o -0.9366000E-01 2.588000      ?             ?      
1 1 1 26 59 7  o 0.4480000      1.442000      ?             ?      
1 1 1 26 59 8  o 2.086000       1.935000      ?             ?      
1 1 1 26 59 9  o 1.526000       3.740000      ?             ?      
1 1 1 26 59 10 < 0.000000       -1.000000     ?             ?      
1 1 1 27 0  1  o 1.115000       1.546000      57.36581      90.0   
1 1 1 27 0  2  o -1.076000      1.559000      56.67777      -0.0   
1 1 1 27 0  3  o 2.282000       1.581000      36.30703      90.0   
1 1 1 27 0  4  o 2.664000       1.602000      152.7272      180.0  
1 1 1 27 0  5  o 3.998000       1.565000      123.7138      90.0   
1 1 1 27 0  6  o 0.9618000      1.572000      75.57484      180.0  
1 1 1 27 0  7  o 2.037000       1.502000      109.4440      -90.0  
1 1 1 27 0  8  o -2.635000      1.911000      236.2117      0.0    
1 1 1 27 0  9  o -1.380000      1.490000      191.5523      -90.0  
1 1 1 27 0  10 o 2.781000       1.491000      44.95652      180.0  
1 1 1 27 0  11 o -0.9868000     1.464000      58.36028      90.0   
1 1 1 27 0  12 o -2.409000      1.530000      23.38987      180.0  
1 1 1 27 0  13 o 1.815000       1.485000      108.8174      -90.0  
1 1 1 27 0  14 o 0.9077000      1.476000      109.3268      180.0  
1 1 1 27 0  15 o 0.4677000      1.450000      300.5808      90.0   
1 1 1 27 0  16 o 2.644000       1.470000      256.7681      -0.0   
1 1 1 27 0  17 o 1.401000       1.429000      143.1558      -90.0  
1 1 1 27 0  18 o -2.896000      1.394000      96.97061      -180.0 
1 1 1 27 0  19 o -0.8147000     1.381000      81.37322      -90.0  
1 1 1 27 0  20 o 3.439000       1.435000      318.5605      180.0  
1 1 1 27 0  21 o 0.4669000      1.446000      155.1137      90.0   
1 1 1 27 0  22 o -0.5784000     1.475000      130.1580      0.0    
1 1 1 27 0  23 o -3.580000      1.527000      54.31341      90.0   
1 1 1 27 0  24 o 2.108000       1.507000      119.1208      -0.0   
1 1 1 27 0  25 o -2.478000      1.487000      182.2733      -90.0  
1 1 1 27 0  26 f -1.439000      1.482000      135.1125      -0.0   
1 1 1 27 0  27 o 0.2149000      1.473000      25.20525      -90.0  
1 1 1 27 0  28 o -1.101000      1.486000      103.0425      -0.0   
1 1 1 27 0  29 o -0.9617000     1.504000      37.03702      -90.0  
1 1 1 27 0  30 o -0.8713000     1.718000      27.79316      0.0    
1 1 1 27 0  31 o 0.6203000      2.120000      326.3853      90.0   
1 1 1 27 0  32 o -1.107000      2.134000      85.50584      180.0  
1 1 1 27 0  33 o 2.817000       3.170000      89.30542      90.0   
1 1 1 27 0  34 o -2.386000      1.914000      26.65385      180.0  
1 1 1 27 0  35 o -2.053000      1.923000      6.675366      -90.0  
1 1 1 27 0  36 o -1.595000      1.647000      1.567718      180.0  
1 1 1 27 0  37 o -0.4910000     1.679000      5.440423      -90.0  
1 1 1 27 0  38 o 0.5959000      1.738000      20.44692      -0.0   
1 1 1 27 0  39 o -1.123000      2.016000      23.62320      -90.0  
1 1 1 27 0  40 o -0.5275000     1.758000      41.73511      -0.0   
1 1 1 27 0  41 o -0.5773000     2.025000      4.020267      90.0   
1 1 1 27 0  42 o 2.850000       2.142000      56.51115      -0.0   
1 1 1 27 0  43 o -0.7994000     1.890000      148.6756      90.0   
1 1 1 27 0  44 o -1.421000      1.869000      11.05697      -180.0 
1 1 1 27 0  45 o 0.7898000      1.907000      114.1808      90.0   
1 1 1 27 0  46 o 0.3683000      1.926000      71.92559      -0.0   
1 1 1 27 0  47 o -1.157000      1.923000      6.427455      -90.0  
1 1 1 27 0  48 f 1.058000       2.221000      131.3321      -180.0 
1 1 1 27 0  49 o -4.279000      2.245000      9.681035      -90.0  
1 1 1 27 0  50 o -2.131000      1.963000      ?             ?      
1 1 1 27 0  51 o -3.939000      2.201000      ?             ?      
1 1 1 27 0  52 o -1.038000      2.689000      ?             ?      
1 1 1 27 0  53 o -1.295000      2.393000      ?             ?      
1 1 1 27 0  54 o -3.565000      2.469000      ?             ?      
1 1 1 27 0  55 o -1.455000      2.060000      ?             ?      
1 1 1 27 0  56 o 0.8707000      1.747000      ?             ?      
1 1 1 27 0  57 o 1.330000       1.769000      ?             ?      
1 1 1 27 0  58 o -1.039000      1.720000      ?             ?      
1 1 1 27 0  59 o 1.300000       1.759000      ?             ?      
1 1 1 27 0  60 o -1.349000      1.757000      ?             ?      
1 1 1 27 0  61 o 2.749000       1.771000      ?             ?      
1 1 1 27 0  62 o 0.2540000      1.768000      ?             ?      
1 1 1 27 0  63 o -1.263000      1.768000      ?             ?      
1 1 1 27 0  64 o -2.841000      1.813000      ?             ?      
1 1 1 27 0  65 o -0.7516000E-01 1.849000      ?             ?      
1 1 1 27 0  66 o -2.259000      1.867000      ?             ?      
1 1 1 27 0  67 o -0.6203000     2.294000      ?             ?      
1 1 1 27 1  0  o -0.4614000     1.563000      350.2730      -90.0  
1 1 1 27 1  1  o -1.683000      1.092000      61.13073      158.8  
1 1 1 27 1  2  o 0.1855000      1.103000      166.0816      -137.2 
1 1 1 27 1  3  o -0.5351000     1.110000      122.7350      146.9  
1 1 1 27 1  4  o 0.4555000      1.111000      42.63824      142.7  
1 1 1 27 1  5  o 0.9095000      1.111000      132.4559      65.5   
1 1 1 27 1  6  o 0.3774000E-01  1.113000      185.3808      -102.8 
1 1 1 27 1  7  o 0.7164000      1.066000      101.8809      140.8  
1 1 1 27 1  8  o 1.119000       1.073000      105.2790      127.2  
1 1 1 27 1  9  o 0.3035000      1.048000      81.09235      77.3   
1 1 1 27 1  10 o 0.4559000      1.049000      67.58222      -15.8  
1 1 1 27 1  11 o -0.5809000     1.037000      184.7128      -133.9 
1 1 1 27 1  12 o -0.2452000     1.048000      137.3457      -64.3  
1 1 1 27 1  13 o 0.6917000      1.041000      56.00778      3.5    
1 1 1 27 1  14 o -0.4845000E-02 1.036000      27.14547      -49.5  
1 1 1 27 1  15 o -1.357000      1.034000      233.2748      33.0   
1 1 1 27 1  16 o -1.102000      1.015000      59.11898      175.8  
1 1 1 27 1  17 o 0.5767000      1.015000      125.9733      163.4  
1 1 1 27 1  18 o 0.4176000      0.9973000     34.65952      -179.1 
1 1 1 27 1  19 o -0.2523000     0.9927000     36.97482      -99.2  
1 1 1 27 1  20 o 0.4745000      1.012000      110.3920      108.1  
1 1 1 27 1  21 o -0.1090000     1.018000      96.95990      -18.9  
1 1 1 27 1  22 o 1.551000       1.039000      158.0104      -128.6 
1 1 1 27 1  23 o 0.7102000      1.047000      78.94379      124.4  
1 1 1 27 1  24 o -0.6153000     1.062000      93.62244      66.7   
1 1 1 27 1  25 o -0.9983000     1.056000      88.06963      23.1   
1 1 1 27 1  26 o 0.9697000      1.048000      178.2723      44.7   
1 1 1 27 1  27 o 1.452000       1.050000      170.2133      144.4  
1 1 1 27 1  28 o 0.3010000      1.052000      72.37176      111.7  
1 1 1 27 1  29 o -0.5394000     1.061000      58.23758      -111.9 
1 1 1 27 1  30 o 1.535000       1.221000      67.00905      -89.3  
1 1 1 27 1  31 o 1.179000       1.644000      191.6986      -98.1  
1 1 1 27 1  32 o -1.223000      1.770000      38.37705      142.1  
1 1 1 27 1  33 o -1.586000      1.853000      131.6438      -5.8   
1 1 1 27 1  34 o -0.9500000     1.500000      50.70798      2.1    
1 1 1 27 1  35 o 1.244000       1.264000      96.13792      109.4  
1 1 1 27 1  36 o -0.6425000     1.271000      110.4690      178.0  
1 1 1 27 1  37 o 0.1389000E-01  1.302000      37.94205      -33.3  
1 1 1 27 1  38 o 0.6207000      1.194000      49.32140      -99.1  
1 1 1 27 1  39 o -0.1956000     1.309000      131.7380      133.4  
1 1 1 27 1  40 o -0.1027000     1.338000      102.8237      162.6  
1 1 1 27 1  41 o -1.843000      1.384000      145.3334      125.7  
1 1 1 27 1  42 o 1.213000       1.410000      106.6392      -179.2 
1 1 1 27 1  43 o -0.4966000     1.333000      46.82990      69.3   
1 1 1 27 1  44 o 1.123000       1.420000      95.42374      143.0  
1 1 1 27 1  45 o -0.8135000     1.350000      54.11529      179.0  
1 1 1 27 1  46 o -0.2791000     1.472000      64.51923      161.9  
1 1 1 27 1  47 o 2.775000       1.478000      97.74523      175.7  
1 1 1 27 1  48 o 2.738000       1.529000      65.83269      -174.0 
1 1 1 27 1  49 o -1.259000      1.520000      89.80877      -139.2 
1 1 1 27 1  50 o -1.652000      1.372000      ?             ?      
1 1 1 27 1  51 o 2.210000       1.755000      ?             ?      
1 1 1 27 1  52 o 0.6314000      2.048000      ?             ?      
1 1 1 27 1  53 o 2.270000       2.313000      ?             ?      
1 1 1 27 1  54 o 0.7494000      2.275000      ?             ?      
1 1 1 27 1  55 o -1.324000      1.353000      ?             ?      
1 1 1 27 1  56 o 0.1970000      1.247000      ?             ?      
1 1 1 27 1  57 o 1.405000       1.257000      ?             ?      
1 1 1 27 1  58 o -0.1007000     1.250000      ?             ?      
1 1 1 27 1  59 o 0.8448000      1.249000      ?             ?      
1 1 1 27 1  60 o -0.5167000     1.244000      ?             ?      
1 1 1 27 1  61 o -2.181000      1.241000      ?             ?      
1 1 1 27 1  62 o 1.221000       1.266000      ?             ?      
1 1 1 27 1  63 o 0.8017000E-01  1.270000      ?             ?      
1 1 1 27 1  64 o 0.1699000      1.274000      ?             ?      
1 1 1 27 1  65 o -1.495000      1.292000      ?             ?      
1 1 1 27 1  66 o 1.511000       1.321000      ?             ?      
1 1 1 27 1  67 o -2.130000      1.763000      ?             ?      
1 1 1 27 2  0  o -2.919000      1.551000      14.57880      90.0   
1 1 1 27 2  1  o -0.6070000     1.099000      121.8960      -50.9  
1 1 1 27 2  2  o -0.5645000     1.109000      126.7087      -103.6 
1 1 1 27 2  3  o 3.571000       1.224000      366.4441      -171.9 
1 1 1 27 2  4  o 1.979000       1.111000      352.2264      119.7  
1 1 1 27 2  5  o 3.663000       1.136000      154.1909      111.4  
1 1 1 27 2  6  o 2.340000       1.106000      218.4753      -157.8 
1 1 1 27 2  7  o 3.191000       1.103000      305.6904      -35.9  
1 1 1 27 2  8  o 1.093000       1.065000      102.3544      -9.4   
1 1 1 27 2  9  o 1.289000       1.076000      113.7534      -46.6  
1 1 1 27 2  10 o 0.9594000      1.057000      146.5433      -112.7 
1 1 1 27 2  11 o 1.025000       1.062000      262.1302      71.9   
1 1 1 27 2  12 o 0.4075000      1.046000      103.0960      -81.7  
1 1 1 27 2  13 o -0.6950000E-01 1.040000      257.9648      -61.5  
1 1 1 27 2  14 o -0.7469000     1.038000      128.3355      114.7  
1 1 1 27 2  15 o -0.9161000     1.041000      103.7693      59.4   
1 1 1 27 2  16 o -2.863000      1.031000      66.81480      35.5   
1 1 1 27 2  17 o -0.2918000     1.032000      184.2790      -161.4 
1 1 1 27 2  18 o 1.672000       1.031000      305.9084      -10.1  
1 1 1 27 2  19 o 0.6669000E-01  1.011000      68.86623      36.5   
1 1 1 27 2  20 o 0.3138000      1.016000      161.4244      85.4   
1 1 1 27 2  21 o 0.7481000      1.017000      189.2056      -55.2  
1 1 1 27 2  22 o 1.007000       1.048000      173.0053      -47.3  
1 1 1 27 2  23 o 2.226000       1.057000      212.2593      -161.6 
1 1 1 27 2  24 o -0.1644000     1.060000      132.6844      47.3   
1 1 1 27 2  25 o 1.960000       1.057000      90.71574      -171.9 
1 1 1 27 2  26 o -1.056000      1.046000      89.22034      -172.2 
1 1 1 27 2  27 o 2.712000       1.078000      221.9236      35.2   
1 1 1 27 2  28 o 1.390000       1.072000      166.4921      -25.3  
1 1 1 27 2  29 o -0.7461000     1.141000      141.2506      116.6  
1 1 1 27 2  30 o 0.5923000E-01  1.198000      117.4842      9.3    
1 1 1 27 2  31 o 0.9349000      1.611000      78.49399      -82.1  
1 1 1 27 2  32 o -0.8199000     1.792000      114.1248      -22.6  
1 1 1 27 2  33 o -3.558000      1.838000      180.6021      158.1  
1 1 1 27 2  34 o 3.660000       1.908000      105.4982      -52.6  
1 1 1 27 2  35 o 0.5718000      1.256000      151.4792      -47.1  
1 1 1 27 2  36 o -0.6226000     1.331000      121.5449      73.9   
1 1 1 27 2  37 o 0.9015000      1.270000      41.15296      148.3  
1 1 1 27 2  38 o 2.538000       1.232000      296.6369      -163.7 
1 1 1 27 2  39 o 1.430000       1.237000      26.58093      9.7    
1 1 1 27 2  40 o 0.9326000      1.264000      136.5964      -21.0  
1 1 1 27 2  41 o -2.053000      1.274000      107.1102      -169.3 
1 1 1 27 2  42 o 0.4264000      1.317000      16.88339      29.2   
1 1 1 27 2  43 o 1.819000       1.453000      81.19996      -35.9  
1 1 1 27 2  44 o -1.272000      1.610000      26.82641      154.1  
1 1 1 27 2  45 o -0.5542000     1.355000      16.75013      45.3   
1 1 1 27 2  46 o 1.292000       1.670000      87.08289      -30.3  
1 1 1 27 2  47 o -1.299000      1.700000      109.1325      12.0   
1 1 1 27 2  48 o -1.414000      1.366000      21.07416      -56.9  
1 1 1 27 2  49 o 1.519000       1.371000      67.36543      26.3   
1 1 1 27 2  50 o 0.8755000      1.489000      ?             ?      
1 1 1 27 2  51 o -0.3058000     1.463000      ?             ?      
1 1 1 27 2  52 o 0.3699000      2.020000      ?             ?      
1 1 1 27 2  53 o -0.9431000E-01 2.163000      ?             ?      
1 1 1 27 2  54 o -0.9657000     1.846000      ?             ?      
1 1 1 27 2  55 o 2.900000       1.449000      ?             ?      
1 1 1 27 2  56 o -0.6602000     1.466000      ?             ?      
1 1 1 27 2  57 o -0.8544000     1.244000      ?             ?      
1 1 1 27 2  58 o -1.628000      1.238000      ?             ?      
1 1 1 27 2  59 o 0.2450000      1.235000      ?             ?      
1 1 1 27 2  60 o -1.730000      1.252000      ?             ?      
1 1 1 27 2  61 o 0.7602000      1.269000      ?             ?      
1 1 1 27 2  62 o 2.792000       1.289000      ?             ?      
1 1 1 27 2  63 o -0.3294000     1.266000      ?             ?      
1 1 1 27 2  64 o -1.269000      1.273000      ?             ?      
1 1 1 27 2  65 o 2.595000       1.307000      ?             ?      
1 1 1 27 2  66 o -0.7793000     1.464000      ?             ?      
1 1 1 27 2  67 o -1.263000      1.883000      ?             ?      
1 1 1 27 3  0  o 6.191000       1.677000      516.0324      -90.0  
1 1 1 27 3  1  o 0.4791000      1.108000      55.55637      13.3   
1 1 1 27 3  2  o 2.700000       1.125000      270.6978      -122.4 
1 1 1 27 3  3  o 1.630000       1.102000      251.1087      -151.8 
1 1 1 27 3  4  o 3.401000       1.124000      350.4155      -114.4 
1 1 1 27 3  5  o 4.923000       1.134000      136.5330      62.8   
1 1 1 27 3  6  o 0.5761000      1.117000      282.5583      -126.5 
1 1 1 27 3  7  o 0.3754000      1.110000      196.5153      124.0  
1 1 1 27 3  8  o -0.7812000     1.070000      90.49450      -128.7 
1 1 1 27 3  9  f 2.364000       1.082000      378.4543      -24.5  
1 1 1 27 3  10 o -0.9440000     1.084000      195.4127      -104.8 
1 1 1 27 3  11 o -0.9719000     1.088000      49.61859      -121.0 
1 1 1 27 3  12 o 2.643000       1.064000      211.2003      66.1   
1 1 1 27 3  13 o -0.5783000     1.039000      381.5168      144.7  
1 1 1 27 3  14 o 4.733000       1.062000      307.4467      101.9  
1 1 1 27 3  15 o 2.628000       1.068000      370.0816      136.0  
1 1 1 27 3  16 o -0.2770000     1.046000      371.6570      -96.2  
1 1 1 27 3  17 o 7.925000       1.086000      583.6691      89.7   
1 1 1 27 3  18 o 8.052000       1.094000      497.2775      153.0  
1 1 1 27 3  19 o 7.197000       1.077000      467.8057      -128.6 
1 1 1 27 3  20 o -1.953000      1.013000      112.6494      -170.7 
1 1 1 27 3  21 o 2.191000       1.049000      359.2502      52.3   
1 1 1 27 3  22 o 5.209000       1.072000      292.4270      -58.9  
1 1 1 27 3  23 o 7.693000       1.094000      349.4284      117.3  
1 1 1 27 3  24 o 0.7314000      1.036000      82.92365      131.3  
1 1 1 27 3  25 o 2.438000       1.061000      189.8194      133.9  
1 1 1 27 3  26 o 1.343000       1.058000      202.7386      171.5  
1 1 1 27 3  27 o 4.444000       1.110000      369.3541      142.2  
1 1 1 27 3  28 o 1.516000       1.093000      170.0569      9.6    
1 1 1 27 3  29 o 1.422000       1.147000      113.0678      88.0   
1 1 1 27 3  30 o 2.972000       1.398000      347.6158      102.1  
1 1 1 27 3  31 o 0.7736000      1.631000      44.38103      -162.1 
1 1 1 27 3  32 o -1.131000      2.343000      158.7428      -9.7   
1 1 1 27 3  33 o 0.9848000      1.888000      168.4236      -43.8  
1 1 1 27 3  34 o -0.2309000E-02 1.394000      162.1115      157.3  
1 1 1 27 3  35 o 1.757000       1.356000      272.1840      165.9  
1 1 1 27 3  36 o 1.401000       1.293000      207.4186      -77.0  
1 1 1 27 3  37 o 2.044000       1.223000      226.8444      -24.5  
1 1 1 27 3  38 o 3.831000       1.219000      233.0124      -168.6 
1 1 1 27 3  39 o 3.040000       1.242000      253.0060      160.6  
1 1 1 27 3  40 o 0.4817000      1.257000      199.9662      -133.0 
1 1 1 27 3  41 o -2.517000      1.613000      42.77525      36.5   
1 1 1 27 3  42 o 4.203000       1.458000      298.5682      -147.9 
1 1 1 27 3  43 o -1.220000      1.322000      167.5136      139.7  
1 1 1 27 3  44 o 1.928000       1.447000      217.8526      -35.1  
1 1 1 27 3  45 o 0.7676000      1.351000      69.64345      -158.7 
1 1 1 27 3  46 o 1.245000       1.477000      144.2182      80.9   
1 1 1 27 3  47 o 2.199000       1.493000      217.7438      23.3   
1 1 1 27 3  48 o 1.048000       1.444000      169.9981      -176.6 
1 1 1 27 3  49 o 1.136000       1.453000      135.8406      -72.8  
1 1 1 27 3  50 o 0.9891000      1.465000      ?             ?      
1 1 1 27 3  51 o 3.881000       1.656000      ?             ?      
1 1 1 27 3  52 o 0.9393000      1.969000      ?             ?      
1 1 1 27 3  53 o 1.053000       1.660000      ?             ?      
1 1 1 27 3  54 o 0.1845000E-01  1.498000      ?             ?      
1 1 1 27 3  55 o -0.4611000     1.407000      ?             ?      
1 1 1 27 3  56 o -0.2738000     1.458000      ?             ?      
1 1 1 27 3  57 o -0.2965000E-01 1.246000      ?             ?      
1 1 1 27 3  58 o 0.1937000      1.377000      ?             ?      
1 1 1 27 3  59 o 1.043000       1.263000      ?             ?      
1 1 1 27 3  60 o 1.143000       1.256000      ?             ?      
1 1 1 27 3  61 o -0.5897000     1.250000      ?             ?      
1 1 1 27 3  62 o -0.9359000     1.258000      ?             ?      
1 1 1 27 3  63 o -1.891000      1.270000      ?             ?      
1 1 1 27 3  64 o 2.343000       1.284000      ?             ?      
1 1 1 27 3  65 o -1.181000      1.797000      ?             ?      
1 1 1 27 3  66 o -1.639000      1.847000      ?             ?      
1 1 1 27 3  67 o 0.6573000E-01  1.533000      ?             ?      
1 1 1 27 4  0  o -1.974000      1.521000      2.059724      -90.0  
1 1 1 27 4  1  o 5.427000       1.113000      458.5900      20.3   
1 1 1 27 4  2  o 18.39000       1.232000      719.2766      -122.5 
1 1 1 27 4  3  o 12.88000       1.174000      562.1489      -163.9 
1 1 1 27 4  4  o 25.70000       1.373000      879.6654      38.9   
1 1 1 27 4  5  o -1.024000      1.134000      55.18876      -69.0  
1 1 1 27 4  6  o 8.156000       1.172000      378.1796      -19.3  
1 1 1 27 4  7  o 6.104000       1.135000      502.2755      -87.2  
1 1 1 27 4  8  o 19.31000       1.390000      752.9197      73.2   
1 1 1 27 4  9  o 1.811000       1.097000      408.6504      -54.0  
1 1 1 27 4  10 o 11.63000       1.188000      469.8572      -77.1  
1 1 1 27 4  11 o 1.123000       1.087000      184.7612      -13.1  
1 1 1 27 4  12 o 7.127000       1.096000      374.2403      -104.5 
1 1 1 27 4  13 o -0.3829000     1.040000      68.27563      128.0  
1 1 1 27 4  14 o -0.8359000     1.053000      63.73338      13.3   
1 1 1 27 4  15 o 5.634000       1.077000      216.8707      -86.4  
1 1 1 27 4  16 o 13.95000       1.135000      640.9935      -120.1 
1 1 1 27 4  17 o 9.515000       1.113000      530.8615      -30.5  
1 1 1 27 4  18 o 13.45000       1.112000      588.7215      -42.9  
1 1 1 27 4  19 o 4.510000       1.045000      332.3577      -108.8 
1 1 1 27 4  20 o 17.51000       1.152000      657.5753      12.6   
1 1 1 27 4  21 o 2.481000       1.056000      90.22380      171.5  
1 1 1 27 4  22 o 5.712000       1.072000      459.4286      -137.1 
1 1 1 27 4  23 o 3.575000       1.045000      171.0048      -87.1  
1 1 1 27 4  24 o -1.356000      1.021000      55.37095      51.9   
1 1 1 27 4  25 o -0.7164000     1.036000      237.0556      60.2   
1 1 1 27 4  26 o 1.473000       1.087000      166.6332      -48.6  
1 1 1 27 4  27 o -0.6822000E-01 1.090000      185.2508      -161.4 
1 1 1 27 4  28 o 11.71000       1.253000      456.4112      -145.5 
1 1 1 27 4  29 o 0.9900000      1.439000      220.7590      125.8  
1 1 1 27 4  30 o 1.299000       1.404000      121.7149      -1.5   
1 1 1 27 4  31 o 5.108000       1.755000      245.4920      -18.6  
1 1 1 27 4  32 o 6.736000       1.574000      332.5248      -133.9 
1 1 1 27 4  33 o 4.390000       1.394000      390.2296      133.9  
1 1 1 27 4  34 o 0.3525000      1.408000      205.4759      -67.6  
1 1 1 27 4  35 o 1.883000       1.273000      121.4000      -77.0  
1 1 1 27 4  36 o 4.969000       1.314000      325.7927      141.8  
1 1 1 27 4  37 o 3.048000       1.311000      264.1841      -171.8 
1 1 1 27 4  38 o 0.3878000      1.213000      201.7923      -176.7 
1 1 1 27 4  39 o 3.711000       1.344000      249.3060      -0.5   
1 1 1 27 4  40 o 4.353000       1.283000      227.4746      -173.1 
1 1 1 27 4  41 o 1.535000       1.381000      241.3503      -126.3 
1 1 1 27 4  42 o -0.2799000E-01 1.405000      152.3051      -46.0  
1 1 1 27 4  43 o 1.200000       1.310000      151.6869      2.2    
1 1 1 27 4  44 o -1.438000      1.319000      118.3685      -150.6 
1 1 1 27 4  45 o 1.410000       1.353000      196.5099      83.1   
1 1 1 27 4  46 o 0.5071000      1.370000      164.0970      3.8    
1 1 1 27 4  47 o -1.125000      1.351000      98.26724      104.4  
1 1 1 27 4  48 o 2.157000       1.425000      206.0859      93.9   
1 1 1 27 4  49 o -3.123000      1.456000      56.78990      -106.3 
1 1 1 27 4  50 o -0.1722000     1.438000      ?             ?      
1 1 1 27 4  51 o -1.612000      1.498000      ?             ?      
1 1 1 27 4  52 o -0.7101000     1.591000      ?             ?      
1 1 1 27 4  53 o -1.295000      1.483000      ?             ?      
1 1 1 27 4  54 o 1.777000       1.371000      ?             ?      
1 1 1 27 4  55 o -2.017000      1.454000      ?             ?      
1 1 1 27 4  56 o -0.3319000     1.405000      ?             ?      
1 1 1 27 4  57 o -0.1926000     1.334000      ?             ?      
1 1 1 27 4  58 o -1.214000      1.289000      ?             ?      
1 1 1 27 4  59 o -0.9436000E-01 1.306000      ?             ?      
1 1 1 27 4  60 o -0.4058000     1.362000      ?             ?      
1 1 1 27 4  61 o 0.1121000      1.385000      ?             ?      
1 1 1 27 4  62 o -1.541000      1.246000      ?             ?      
1 1 1 27 4  63 o 0.7990000      1.258000      ?             ?      
1 1 1 27 4  64 o 0.9119000      1.278000      ?             ?      
1 1 1 27 4  65 o 0.7477000      1.299000      ?             ?      
1 1 1 27 4  66 o 0.7096000      1.437000      ?             ?      
1 1 1 27 4  67 o -0.1715000E-01 1.499000      ?             ?      
1 1 1 27 5  0  o 1.650000       1.560000      298.9902      -90.0  
1 1 1 27 5  1  o -0.2137000     1.100000      179.4856      -17.4  
1 1 1 27 5  2  o 4.667000       1.137000      161.1280      -101.2 
1 1 1 27 5  3  o -1.808000      1.094000      252.7324      123.3  
1 1 1 27 5  4  o 0.5316000      1.112000      95.02524      158.5  
1 1 1 27 5  5  o 56.46000       1.871000      1158.280      93.4   
1 1 1 27 5  6  o 1.833000       1.139000      273.2249      -73.5  
1 1 1 27 5  7  o 2.768000       1.123000      358.6428      -169.4 
1 1 1 27 5  8  o 0.9705000      1.136000      273.9997      -124.2 
1 1 1 27 5  9  o 8.872000       1.160000      588.4689      94.4   
1 1 1 27 5  10 o 11.09000       1.147000      462.0038      -38.8  
1 1 1 27 5  11 o 3.223000       1.143000      142.1827      107.4  
1 1 1 27 5  12 o 5.356000       1.098000      358.5690      105.1  
1 1 1 27 5  13 o 19.23000       1.295000      689.4057      158.6  
1 1 1 27 5  14 o 1.455000       1.056000      364.5498      45.9   
1 1 1 27 5  15 o 2.240000       1.055000      425.8532      116.0  
1 1 1 27 5  16 o 13.25000       1.115000      542.0308      -30.2  
1 1 1 27 5  17 o 17.75000       1.196000      729.3889      81.1   
1 1 1 27 5  18 o 3.991000       1.039000      99.47834      -35.7  
1 1 1 27 5  19 o 4.151000       1.035000      258.8831      -179.8 
1 1 1 27 5  20 o 6.188000       1.087000      327.2983      57.8   
1 1 1 27 5  21 o 5.030000       1.075000      467.8291      73.5   
1 1 1 27 5  22 o 1.642000       1.041000      241.3509      -15.5  
1 1 1 27 5  23 o 8.428000       1.083000      545.9213      60.5   
1 1 1 27 5  24 o 4.989000       1.040000      330.2096      149.9  
1 1 1 27 5  25 o 7.728000       1.089000      397.4835      169.1  
1 1 1 27 5  26 o 11.25000       1.290000      401.4569      177.0  
1 1 1 27 5  27 o 12.86000       1.325000      512.3152      -14.2  
1 1 1 27 5  28 o 11.19000       1.237000      368.4457      25.9   
1 1 1 27 5  29 o 0.1100000      1.326000      227.5914      119.0  
1 1 1 27 5  30 o 2.709000       1.403000      274.6288      54.0   
1 1 1 27 5  31 o 4.609000       1.331000      321.4016      -41.3  
1 1 1 27 5  32 o -1.705000      1.306000      80.88534      55.3   
1 1 1 27 5  33 o 22.06000       1.540000      750.2967      -107.3 
1 1 1 27 5  34 o 3.645000       1.426000      371.3473      -146.3 
1 1 1 27 5  35 o 4.453000       1.415000      401.6411      -114.8 
1 1 1 27 5  36 o 8.694000       1.613000      491.8826      -68.4  
1 1 1 27 5  37 o 1.828000       1.388000      267.0145      -117.9 
1 1 1 27 5  38 o 5.223000       1.251000      264.2332      178.7  
1 1 1 27 5  39 o 2.939000       1.327000      250.1246      -88.1  
1 1 1 27 5  40 o 3.032000       1.351000      180.6240      -83.5  
1 1 1 27 5  41 o 4.302000       1.422000      250.3724      -143.0 
1 1 1 27 5  42 o -0.9102000     1.303000      163.1551      87.5   
1 1 1 27 5  43 o 3.802000       1.324000      146.4825      -49.2  
1 1 1 27 5  44 o 4.870000       1.336000      335.9637      -74.6  
1 1 1 27 5  45 o -0.7331000     1.340000      129.3881      106.1  
1 1 1 27 5  46 o 1.520000       1.343000      105.4697      64.2   
1 1 1 27 5  47 o 2.977000       1.343000      289.1097      22.1   
1 1 1 27 5  48 o 1.382000       1.327000      123.0951      -108.1 
1 1 1 27 5  49 o 0.7237000      1.439000      136.5544      -162.4 
1 1 1 27 5  50 o -0.1154000     1.613000      ?             ?      
1 1 1 27 5  51 o 3.660000       1.564000      ?             ?      
1 1 1 27 5  52 o -0.1777000     1.368000      ?             ?      
1 1 1 27 5  53 o 0.4742000      1.557000      ?             ?      
1 1 1 27 5  54 o -0.1900000     1.623000      ?             ?      
1 1 1 27 5  55 o -0.4358000     1.478000      ?             ?      
1 1 1 27 5  56 o 0.6218000      1.336000      ?             ?      
1 1 1 27 5  57 o -0.1406000     1.309000      ?             ?      
1 1 1 27 5  58 o -3.036000      1.197000      ?             ?      
1 1 1 27 5  59 o 0.1393000      1.212000      ?             ?      
1 1 1 27 5  60 o -0.8067000     1.296000      ?             ?      
1 1 1 27 5  61 o 1.152000       1.300000      ?             ?      
1 1 1 27 5  62 o 0.9426000      1.360000      ?             ?      
1 1 1 27 5  63 o 1.344000       1.386000      ?             ?      
1 1 1 27 5  64 o 0.4996000      1.253000      ?             ?      
1 1 1 27 5  65 o 0.3614000      1.407000      ?             ?      
1 1 1 27 5  66 o 0.3069000      1.597000      ?             ?      
1 1 1 27 5  67 o -0.1481000     1.523000      ?             ?      
1 1 1 27 6  0  o 6.567000       1.599000      384.7005      -90.0  
1 1 1 27 6  1  o 25.85000       1.274000      863.5822      -83.0  
1 1 1 27 6  2  o 45.44000       1.724000      1230.641      -160.9 
1 1 1 27 6  3  o 12.90000       1.209000      449.5200      141.4  
1 1 1 27 6  4  o 2.673000       1.103000      223.5374      72.2   
1 1 1 27 6  5  o 2.850000       1.127000      270.3667      -50.4  
1 1 1 27 6  6  o 6.569000       1.155000      204.0506      27.9   
1 1 1 27 6  7  o 15.49000       1.203000      598.2787      -123.0 
1 1 1 27 6  8  o 9.030000       1.152000      422.5226      -116.0 
1 1 1 27 6  9  o 12.96000       1.215000      595.4567      -87.1  
1 1 1 27 6  10 o 15.49000       1.175000      531.2479      -127.8 
1 1 1 27 6  11 o 7.314000       1.165000      524.5704      78.1   
1 1 1 27 6  12 o 18.29000       1.202000      689.5362      -53.9  
1 1 1 27 6  13 o 0.7790000      1.080000      165.0974      -136.3 
1 1 1 27 6  14 o 10.85000       1.103000      447.7712      -96.2  
1 1 1 27 6  15 o 4.259000       1.051000      278.1496      162.8  
1 1 1 27 6  16 o 3.573000       1.053000      596.6028      -132.9 
1 1 1 27 6  17 o 25.53000       1.229000      643.0345      13.4   
1 1 1 27 6  18 o 16.88000       1.138000      525.1093      -64.9  
1 1 1 27 6  19 o 23.00000       1.191000      434.0539      67.7   
1 1 1 27 6  20 o 19.20000       1.201000      494.5056      7.2    
1 1 1 27 6  21 o 14.50000       1.157000      592.7877      142.5  
1 1 1 27 6  22 o 8.916000       1.159000      418.5616      -72.8  
1 1 1 27 6  23 o 1.938000       1.038000      170.5031      -22.6  
1 1 1 27 6  24 o 2.054000       1.134000      244.0915      -55.7  
1 1 1 27 6  25 o 6.087000       1.099000      324.4328      -96.1  
1 1 1 27 6  26 o 1.658000       1.102000      197.2020      -137.0 
1 1 1 27 6  27 o 40.60000       1.841000      843.8563      -139.2 
1 1 1 27 6  28 o 0.4854000      1.235000      259.8618      91.0   
1 1 1 27 6  29 o 7.233000       1.389000      451.5323      74.4   
1 1 1 27 6  30 o -0.1681000     1.350000      127.9530      -45.9  
1 1 1 27 6  31 o 9.889000       1.340000      272.6227      -38.4  
1 1 1 27 6  32 o 2.944000       1.217000      245.2270      17.7   
1 1 1 27 6  33 o 10.49000       1.327000      590.4521      119.4  
1 1 1 27 6  34 o 3.748000       1.325000      289.5371      -19.0  
1 1 1 27 6  35 o 2.513000       1.408000      163.5365      -177.3 
1 1 1 27 6  36 o -0.6781000     1.289000      299.3026      -137.0 
1 1 1 27 6  37 o 0.6605000      1.475000      190.7003      154.1  
1 1 1 27 6  38 o 1.344000       1.303000      133.1289      -93.3  
1 1 1 27 6  39 o 5.373000       1.244000      195.3410      -96.2  
1 1 1 27 6  40 o 8.092000       1.430000      411.0937      101.5  
1 1 1 27 6  41 o 4.249000       1.302000      228.1999      -51.5  
1 1 1 27 6  42 o 3.708000       1.319000      161.5246      16.0   
1 1 1 27 6  43 o 1.964000       1.314000      143.8027      103.7  
1 1 1 27 6  44 o 0.8093000      1.304000      116.0565      -73.9  
1 1 1 27 6  45 o 2.243000       1.326000      216.0170      77.7   
1 1 1 27 6  46 o 0.3973000      1.328000      164.9738      132.5  
1 1 1 27 6  47 o 1.066000       1.319000      171.0810      144.0  
1 1 1 27 6  48 o 0.8072000      1.307000      110.8987      -69.4  
1 1 1 27 6  49 o 5.222000       1.454000      258.4283      -133.0 
1 1 1 27 6  50 o 3.113000       1.491000      ?             ?      
1 1 1 27 6  51 o 0.5807000      1.505000      ?             ?      
1 1 1 27 6  52 o 0.9162000      1.334000      ?             ?      
1 1 1 27 6  53 o 1.519000       1.479000      ?             ?      
1 1 1 27 6  54 o 1.849000       1.478000      ?             ?      
1 1 1 27 6  55 f 0.1272000      1.404000      ?             ?      
1 1 1 27 6  56 o 1.970000       1.388000      ?             ?      
1 1 1 27 6  57 o -1.596000      1.389000      ?             ?      
1 1 1 27 6  58 o 0.8677000      1.440000      ?             ?      
1 1 1 27 6  59 o 2.050000       1.223000      ?             ?      
1 1 1 27 6  60 o 0.7491000      1.228000      ?             ?      
1 1 1 27 6  61 o -0.1029000     1.246000      ?             ?      
1 1 1 27 6  62 o -0.7697000     1.285000      ?             ?      
1 1 1 27 6  63 o -0.1915000     1.308000      ?             ?      
1 1 1 27 6  64 o -1.033000      1.263000      ?             ?      
1 1 1 27 6  65 o 3.232000       1.437000      ?             ?      
1 1 1 27 6  66 o 1.838000       1.509000      ?             ?      
1 1 1 27 6  67 o 0.9987000      1.494000      ?             ?      
1 1 1 27 7  0  o 11.67000       1.661000      210.1947      -90.0  
1 1 1 27 7  1  o 7.612000       1.306000      360.6952      -153.3 
1 1 1 27 7  2  o 3.105000       1.094000      67.84924      124.2  
1 1 1 27 7  3  o 13.34000       1.268000      601.6962      -22.2  
1 1 1 27 7  4  o 8.288000       1.161000      415.5945      65.5   
1 1 1 27 7  5  o 19.20000       1.224000      532.2179      120.5  
1 1 1 27 7  6  o 7.683000       1.149000      272.0870      -82.7  
1 1 1 27 7  7  o 4.829000       1.143000      372.7024      97.9   
1 1 1 27 7  8  o 2.716000       1.151000      470.0630      106.3  
1 1 1 27 7  9  o 4.473000       1.150000      266.6074      155.3  
1 1 1 27 7  10 o 15.51000       1.174000      610.1505      48.6   
1 1 1 27 7  11 o 30.40000       1.376000      1125.333      97.6   
1 1 1 27 7  12 o 64.95000       2.073000      793.9019      142.0  
1 1 1 27 7  13 o 13.32000       1.246000      400.7461      47.6   
1 1 1 27 7  14 o 27.52000       1.254000      724.9215      -25.2  
1 1 1 27 7  15 o 13.59000       1.118000      360.0663      -176.7 
1 1 1 27 7  16 o 27.51000       1.244000      807.2053      -127.1 
1 1 1 27 7  17 o 29.14000       1.363000      1031.672      74.6   
1 1 1 27 7  18 o 2.750000       1.040000      233.8729      65.3   
1 1 1 27 7  19 o 12.56000       1.132000      664.7336      102.0  
1 1 1 27 7  20 o -0.2206000     1.072000      155.4705      61.5   
1 1 1 27 7  21 o 17.49000       1.343000      591.7650      28.5   
1 1 1 27 7  22 o 4.505000       1.201000      235.5186      49.8   
1 1 1 27 7  23 o 2.509000       1.050000      314.2374      75.6   
1 1 1 27 7  24 o 1.671000       1.117000      213.6781      -6.0   
1 1 1 27 7  25 o 1.902000       1.097000      85.01012      105.7  
1 1 1 27 7  26 o 11.53000       1.115000      359.9899      -31.9  
1 1 1 27 7  27 o -0.9684000     1.121000      238.6831      -15.9  
1 1 1 27 7  28 o 19.75000       1.549000      593.0538      -15.1  
1 1 1 27 7  29 o 3.334000       1.516000      277.7733      145.2  
1 1 1 27 7  30 o 23.51000       1.697000      620.1682      23.0   
1 1 1 27 7  31 o 2.953000       1.351000      354.4018      -81.0  
1 1 1 27 7  32 o 4.047000       1.285000      290.1478      -96.2  
1 1 1 27 7  33 o 21.01000       1.417000      704.9476      -110.3 
1 1 1 27 7  34 o 20.59000       1.473000      659.5018      -91.0  
1 1 1 27 7  35 o 2.879000       1.341000      336.5281      -60.6  
1 1 1 27 7  36 o 1.288000       1.283000      123.7886      -47.8  
1 1 1 27 7  37 o -1.521000      1.364000      59.65932      85.9   
1 1 1 27 7  38 o -1.704000      1.274000      34.04519      -64.6  
1 1 1 27 7  39 o 10.92000       1.313000      526.5450      -152.8 
1 1 1 27 7  40 o 7.957000       1.324000      342.5789      -127.2 
1 1 1 27 7  41 o -1.926000      1.281000      76.85177      -167.1 
1 1 1 27 7  42 o 12.28000       1.382000      477.6631      -17.6  
1 1 1 27 7  43 o 2.795000       1.321000      207.2482      157.0  
1 1 1 27 7  44 o 4.675000       1.323000      375.2575      19.2   
1 1 1 27 7  45 o 4.190000       1.325000      292.0748      16.6   
1 1 1 27 7  46 o 0.8690000      1.308000      157.3042      -58.8  
1 1 1 27 7  47 o 2.973000       1.320000      80.24335      127.2  
1 1 1 27 7  48 o -0.7829000E-02 1.429000      170.0988      -87.9  
1 1 1 27 7  49 o -0.2389000     1.513000      177.8863      -162.3 
1 1 1 27 7  50 o 4.038000       1.504000      ?             ?      
1 1 1 27 7  51 o 0.2451000      1.347000      ?             ?      
1 1 1 27 7  52 o 1.934000       1.250000      ?             ?      
1 1 1 27 7  53 o 1.055000       1.253000      ?             ?      
1 1 1 27 7  54 o 0.4176000      1.378000      ?             ?      
1 1 1 27 7  55 o 1.234000       1.525000      ?             ?      
1 1 1 27 7  56 o -0.4450000     1.808000      ?             ?      
1 1 1 27 7  57 o 5.936000       1.444000      ?             ?      
1 1 1 27 7  58 o 3.482000       1.455000      ?             ?      
1 1 1 27 7  59 o 2.836000       1.255000      ?             ?      
1 1 1 27 7  60 o 2.037000       1.232000      ?             ?      
1 1 1 27 7  61 o 1.013000       1.223000      ?             ?      
1 1 1 27 7  62 o 3.166000       1.256000      ?             ?      
1 1 1 27 7  63 o 2.520000       1.259000      ?             ?      
1 1 1 27 7  64 o -1.714000      1.378000      ?             ?      
1 1 1 27 7  65 o -0.2542000     1.584000      ?             ?      
1 1 1 27 7  66 o 2.390000       1.509000      ?             ?      
1 1 1 27 7  67 o 0.3407000      1.643000      ?             ?      
1 1 1 27 8  0  o 39.67000       2.022000      1006.581      -90.0  
1 1 1 27 8  1  o 12.53000       1.149000      347.6030      58.0   
1 1 1 27 8  2  o 4.960000       1.165000      539.3038      91.9   
1 1 1 27 8  3  o -1.565000      1.152000      327.1972      -10.9  
1 1 1 27 8  4  o 14.82000       1.247000      591.7397      -144.6 
1 1 1 27 8  5  o 10.44000       1.161000      466.2737      122.8  
1 1 1 27 8  6  o 16.90000       1.316000      584.4254      -121.6 
1 1 1 27 8  7  o 45.21000       1.518000      992.6458      -156.0 
1 1 1 27 8  8  o 23.92000       1.375000      659.8952      -103.3 
1 1 1 27 8  9  o 26.62000       1.332000      842.4018      171.1  
1 1 1 27 8  10 o 16.88000       1.270000      709.9816      -166.9 
1 1 1 27 8  11 o 11.43000       1.345000      402.0290      128.5  
1 1 1 27 8  12 o 14.56000       1.180000      507.2059      103.9  
1 1 1 27 8  13 o 9.777000       1.119000      415.3621      -69.2  
1 1 1 27 8  14 o 4.035000       1.059000      281.3314      -109.6 
1 1 1 27 8  15 o 26.70000       1.234000      759.3859      -118.2 
1 1 1 27 8  16 o 25.86000       1.217000      680.4769      -109.1 
1 1 1 27 8  17 o 5.893000       1.067000      386.3626      -35.1  
1 1 1 27 8  18 o 12.70000       1.244000      231.5687      -21.9  
1 1 1 27 8  19 o 79.51000       2.543000      1093.871      42.9   
1 1 1 27 8  20 o 5.753000       1.106000      488.6419      157.8  
1 1 1 27 8  21 o 18.25000       1.213000      580.0510      -160.5 
1 1 1 27 8  22 f 21.78000       1.295000      371.2892      -27.6  
1 1 1 27 8  23 o 1.273000       1.035000      46.80742      -167.1 
1 1 1 27 8  24 o 13.43000       1.128000      403.5526      -48.0  
1 1 1 27 8  25 o 3.275000       1.047000      209.9966      108.8  
1 1 1 27 8  26 o 9.247000       1.100000      292.9462      -147.3 
1 1 1 27 8  27 o 12.96000       1.290000      433.2724      -120.9 
1 1 1 27 8  28 o 18.34000       1.556000      553.4772      24.5   
1 1 1 27 8  29 o 25.10000       1.867000      646.2133      83.7   
1 1 1 27 8  30 o 11.28000       1.497000      403.8740      -45.4  
1 1 1 27 8  31 o 11.43000       1.277000      517.8007      23.5   
1 1 1 27 8  32 o 12.27000       1.277000      563.5470      23.8   
1 1 1 27 8  33 o 13.44000       1.297000      529.9002      120.9  
1 1 1 27 8  34 o 0.4318000      1.290000      162.6887      -94.3  
1 1 1 27 8  35 o 7.477000       1.266000      301.0684      -130.8 
1 1 1 27 8  36 o 7.307000       1.462000      368.4713      -44.5  
1 1 1 27 8  37 o 0.3378000      1.268000      426.8794      124.1  
1 1 1 27 8  38 o -0.8190000     1.286000      115.7067      81.7   
1 1 1 27 8  39 o 2.488000       1.333000      249.9493      0.8    
1 1 1 27 8  40 o 16.32000       1.379000      621.2252      3.5    
1 1 1 27 8  41 o 6.946000       1.314000      449.4440      -25.5  
1 1 1 27 8  42 o 23.04000       1.502000      624.4243      144.7  
1 1 1 27 8  43 o 14.05000       1.396000      466.8086      74.5   
1 1 1 27 8  44 o 5.061000       1.322000      320.9705      -141.2 
1 1 1 27 8  45 o 0.4436000      1.316000      198.0646      75.4   
1 1 1 27 8  46 o 3.109000       1.323000      204.3356      -122.3 
1 1 1 27 8  47 o -0.7253000     1.306000      50.97212      -42.2  
1 1 1 27 8  48 o 6.362000       1.465000      343.5562      -45.8  
1 1 1 27 8  49 o 2.093000       1.582000      ?             ?      
1 1 1 27 8  50 o 9.103000       1.573000      ?             ?      
1 1 1 27 8  51 o 4.269000       1.353000      ?             ?      
1 1 1 27 8  52 o 4.400000       1.266000      ?             ?      
1 1 1 27 8  53 o -0.3427000     1.231000      ?             ?      
1 1 1 27 8  54 o 1.882000       1.394000      ?             ?      
1 1 1 27 8  55 o 10.07000       1.551000      ?             ?      
1 1 1 27 8  56 o -0.4807000     1.331000      ?             ?      
1 1 1 27 8  57 o 3.498000       1.367000      ?             ?      
1 1 1 27 8  58 o -0.5288000     1.414000      ?             ?      
1 1 1 27 8  59 o 1.008000       1.330000      ?             ?      
1 1 1 27 8  60 o 4.272000       1.318000      ?             ?      
1 1 1 27 8  61 o 2.163000       1.324000      ?             ?      
1 1 1 27 8  62 o 3.672000       1.363000      ?             ?      
1 1 1 27 8  63 o 1.608000       1.261000      ?             ?      
1 1 1 27 8  64 o 2.322000       1.385000      ?             ?      
1 1 1 27 8  65 o 5.363000       1.506000      ?             ?      
1 1 1 27 8  66 o 1.228000       1.575000      ?             ?      
1 1 1 27 8  67 o 2.038000       1.646000      ?             ?      
1 1 1 27 9  0  o 10.17000       1.638000      309.2375      -90.0  
1 1 1 27 9  1  o 8.827000       1.150000      553.2047      -111.8 
1 1 1 27 9  2  o 37.65000       1.520000      689.6050      126.5  
1 1 1 27 9  3  o 81.78000       2.290000      945.3435      23.4   
1 1 1 27 9  4  o 22.43000       1.452000      560.9011      63.6   
1 1 1 27 9  5  o 11.25000       1.214000      308.3781      -2.2   
1 1 1 27 9  6  o 63.32000       2.124000      952.4526      142.1  
1 1 1 27 9  7  o 15.52000       1.247000      425.4471      21.5   
1 1 1 27 9  8  o 19.80000       1.264000      611.0198      -148.1 
1 1 1 27 9  9  o 7.865000       1.199000      205.3257      122.9  
1 1 1 27 9  10 o 27.78000       1.644000      896.5912      162.3  
1 1 1 27 9  11 o 72.72000       2.541000      1077.403      121.5  
1 1 1 27 9  12 o 27.82000       1.287000      688.8724      156.4  
1 1 1 27 9  13 o 0.9836000      1.071000      335.0871      -58.5  
1 1 1 27 9  14 o 25.94000       1.266000      623.8280      -25.9  
1 1 1 27 9  15 o 4.860000       1.079000      180.9296      90.7   
1 1 1 27 9  16 o 16.96000       1.322000      393.2617      121.4  
1 1 1 27 9  17 o 37.47000       1.735000      792.3197      108.3  
1 1 1 27 9  18 o 25.65000       1.268000      736.0649      -177.6 
1 1 1 27 9  19 o 6.089000       1.227000      202.7492      113.3  
1 1 1 27 9  20 o 2.820000       1.139000      300.2800      -37.4  
1 1 1 27 9  21 o 1.359000       1.048000      99.20311      -73.7  
1 1 1 27 9  22 o 2.504000       1.041000      180.7312      96.8   
1 1 1 27 9  23 o 1.275000       1.058000      213.2830      166.0  
1 1 1 27 9  24 o 21.70000       1.202000      439.6010      -32.5  
1 1 1 27 9  25 o 24.43000       1.238000      660.9858      54.2   
1 1 1 27 9  26 o 19.68000       1.286000      612.9521      -65.6  
1 1 1 27 9  27 o 7.243000       1.296000      423.6677      -144.1 
1 1 1 27 9  28 o 19.21000       1.628000      614.4255      21.7   
1 1 1 27 9  29 o 32.91000       1.866000      752.5309      95.5   
1 1 1 27 9  30 o 2.890000       1.296000      286.7115      82.4   
1 1 1 27 9  31 o 10.83000       1.165000      464.9456      -88.6  
1 1 1 27 9  32 o 8.653000       1.158000      402.1301      -77.7  
1 1 1 27 9  33 o 16.70000       1.336000      541.9802      -85.0  
1 1 1 27 9  34 o 5.886000       1.268000      368.7486      -109.3 
1 1 1 27 9  35 o 6.669000       1.354000      313.4607      -105.7 
1 1 1 27 9  36 o -0.6341000     1.262000      72.49621      84.1   
1 1 1 27 9  37 o 7.375000       1.332000      326.0828      93.3   
1 1 1 27 9  38 o 15.27000       1.523000      572.9096      -154.7 
1 1 1 27 9  39 o 8.917000       1.406000      483.7356      95.7   
1 1 1 27 9  40 o 4.958000       1.300000      345.9060      0.1    
1 1 1 27 9  41 o 14.84000       1.377000      380.2548      -71.4  
1 1 1 27 9  42 o 14.90000       1.401000      454.4609      132.5  
1 1 1 27 9  43 o 0.5849000E-01  1.284000      80.71326      -143.5 
1 1 1 27 9  44 o 20.04000       1.446000      571.1218      0.5    
1 1 1 27 9  45 o 6.666000       1.352000      419.5302      -55.5  
1 1 1 27 9  46 o -0.4416000     1.317000      67.03147      37.8   
1 1 1 27 9  47 o 1.707000       1.417000      156.5852      48.0   
1 1 1 27 9  48 o 7.302000       1.519000      357.1991      -127.5 
1 1 1 27 9  49 o -0.3160000     1.463000      ?             ?      
1 1 1 27 9  50 o 6.289000       1.450000      ?             ?      
1 1 1 27 9  51 o 4.338000       1.260000      ?             ?      
1 1 1 27 9  52 o -0.8959000E-01 1.312000      ?             ?      
1 1 1 27 9  53 o 4.838000       1.252000      ?             ?      
1 1 1 27 9  54 o 1.479000       1.377000      ?             ?      
1 1 1 27 9  55 o 3.041000       1.417000      ?             ?      
1 1 1 27 9  56 o 2.634000       1.339000      ?             ?      
1 1 1 27 9  57 o 1.699000       1.325000      ?             ?      
1 1 1 27 9  58 o 2.094000       1.407000      ?             ?      
1 1 1 27 9  59 o 1.016000       1.324000      ?             ?      
1 1 1 27 9  60 o 1.477000       1.339000      ?             ?      
1 1 1 27 9  61 o 3.396000       1.269000      ?             ?      
1 1 1 27 9  62 o 0.6425000      1.315000      ?             ?      
1 1 1 27 9  63 o 2.385000       1.364000      ?             ?      
1 1 1 27 9  64 o 0.3358000      1.400000      ?             ?      
1 1 1 27 9  65 o 0.6068000      1.457000      ?             ?      
1 1 1 27 9  66 o 2.357000       1.404000      ?             ?      
1 1 1 27 10 0  o 5.970000       1.804000      396.9054      -90.0  
1 1 1 27 10 1  o 41.40000       1.647000      760.4020      -105.3 
1 1 1 27 10 2  o 84.04000       3.012000      1137.581      -175.7 
1 1 1 27 10 3  o 45.57000       1.580000      988.1549      179.0  
1 1 1 27 10 4  o 9.766000       1.165000      209.8210      141.4  
1 1 1 27 10 5  o 88.23000       3.114000      1013.747      -95.6  
1 1 1 27 10 6  o 5.829000       1.161000      217.5597      162.5  
1 1 1 27 10 7  o 13.58000       1.195000      301.7519      -109.6 
1 1 1 27 10 8  o 18.38000       1.429000      558.5485      -60.8  
1 1 1 27 10 9  o 136.6000       3.983000      1356.870      -118.9 
1 1 1 27 10 10 o 33.38000       1.519000      467.3174      113.6  
1 1 1 27 10 11 o 29.47000       1.574000      586.2956      -173.0 
1 1 1 27 10 12 o 4.591000       1.128000      414.1124      91.6   
1 1 1 27 10 13 o 42.45000       1.691000      806.4324      -61.0  
1 1 1 27 10 14 o 31.56000       1.465000      752.8897      -71.3  
1 1 1 27 10 15 o 64.89000       1.815000      1168.491      -84.0  
1 1 1 27 10 16 o 73.04000       2.100000      1120.538      -135.9 
1 1 1 27 10 17 o 17.37000       1.257000      621.7490      -67.1  
1 1 1 27 10 18 o 33.17000       1.460000      780.2790      4.9    
1 1 1 27 10 19 o 11.17000       1.133000      249.5966      151.6  
1 1 1 27 10 20 o 8.016000       1.107000      343.7007      -58.3  
1 1 1 27 10 21 o 16.88000       1.139000      408.9861      -111.9 
1 1 1 27 10 22 o 4.205000       1.042000      295.3962      -17.8  
1 1 1 27 10 23 o 2.123000       1.046000      240.8570      -20.3  
1 1 1 27 10 24 o 14.10000       1.209000      552.1094      -30.4  
1 1 1 27 10 25 o 11.70000       1.189000      487.1971      134.2  
1 1 1 27 10 26 o 6.711000       1.218000      234.7356      -173.4 
1 1 1 27 10 27 o 3.538000       1.305000      253.2843      -57.1  
1 1 1 27 10 28 o 2.856000       1.432000      263.5410      -96.9  
1 1 1 27 10 29 o 52.82000       1.927000      953.0850      124.5  
1 1 1 27 10 30 o 26.51000       1.379000      716.0315      -42.7  
1 1 1 27 10 31 o 14.50000       1.209000      413.2347      20.7   
1 1 1 27 10 32 o 22.66000       1.297000      711.7867      46.4   
1 1 1 27 10 33 o -0.3220000     1.206000      262.2503      -42.0  
1 1 1 27 10 34 o 7.787000       1.282000      476.2677      -90.4  
1 1 1 27 10 35 o 5.149000       1.362000      266.7837      131.3  
1 1 1 27 10 36 o 12.10000       1.356000      457.3727      -1.7   
1 1 1 27 10 37 o 6.354000       1.359000      278.6572      113.8  
1 1 1 27 10 38 o 0.9620000      1.344000      197.8703      -8.4   
1 1 1 27 10 39 o 22.72000       1.564000      610.7906      -24.4  
1 1 1 27 10 40 o 1.985000       1.363000      174.7722      -62.9  
1 1 1 27 10 41 o 9.641000       1.344000      458.7467      12.6   
1 1 1 27 10 42 o 13.74000       1.374000      418.3635      57.1   
1 1 1 27 10 43 o 0.5482000      1.281000      32.50423      77.3   
1 1 1 27 10 44 o 4.503000       1.313000      229.6684      117.2  
1 1 1 27 10 45 o 5.852000       1.330000      412.8000      88.3   
1 1 1 27 10 46 o 11.68000       1.399000      301.7122      -47.2  
1 1 1 27 10 47 o 1.472000       1.419000      58.43893      -24.1  
1 1 1 27 10 48 o 5.883000       1.605000      235.3755      44.5   
1 1 1 27 10 49 o 11.72000       1.607000      ?             ?      
1 1 1 27 10 50 o 1.522000       1.334000      ?             ?      
1 1 1 27 10 51 o 1.918000       1.237000      ?             ?      
1 1 1 27 10 52 o 1.956000       1.231000      ?             ?      
1 1 1 27 10 53 o 0.7078000      1.210000      ?             ?      
1 1 1 27 10 54 o -0.1541000     1.208000      ?             ?      
1 1 1 27 10 55 o 2.911000       1.402000      ?             ?      
1 1 1 27 10 56 o 2.483000       1.502000      ?             ?      
1 1 1 27 10 57 o 1.564000       1.327000      ?             ?      
1 1 1 27 10 58 o 1.294000       1.301000      ?             ?      
1 1 1 27 10 59 o 1.999000       1.332000      ?             ?      
1 1 1 27 10 60 o 3.965000       1.361000      ?             ?      
1 1 1 27 10 61 o 1.297000       1.244000      ?             ?      
1 1 1 27 10 62 o 4.535000       1.368000      ?             ?      
1 1 1 27 10 63 o 0.4522000      1.566000      ?             ?      
1 1 1 27 10 64 o -0.2325000     1.554000      ?             ?      
1 1 1 27 10 65 o -1.364000      2.226000      ?             ?      
1 1 1 27 10 66 o 0.4035000      1.421000      ?             ?      
1 1 1 27 11 0  o 260.0000       7.989000      1971.234      -90.0  
1 1 1 27 11 1  o 3.684000       1.216000      364.6229      -68.5  
1 1 1 27 11 2  o 82.47000       2.313000      1166.152      73.2   
1 1 1 27 11 3  o 6.520000       1.177000      555.4887      16.5   
1 1 1 27 11 4  o 22.84000       1.275000      610.1595      -3.1   
1 1 1 27 11 5  o 41.36000       1.680000      901.1927      80.3   
1 1 1 27 11 6  o 10.67000       1.196000      389.5158      89.3   
1 1 1 27 11 7  o 40.03000       1.441000      833.8033      6.0    
1 1 1 27 11 8  o 45.95000       1.760000      671.3868      -10.3  
1 1 1 27 11 9  o 33.39000       1.475000      787.5827      105.5  
1 1 1 27 11 10 o 2.505000       1.195000      194.3557      -139.8 
1 1 1 27 11 11 o 117.0000       2.800000      1545.024      116.4  
1 1 1 27 11 12 o 8.423000       1.213000      599.1497      -13.4  
1 1 1 27 11 13 o 4.961000       1.114000      402.1262      62.3   
1 1 1 27 11 14 o 56.71000       2.020000      942.5410      8.9    
1 1 1 27 11 15 o 63.42000       1.894000      1101.470      -6.9   
1 1 1 27 11 16 o 32.81000       1.352000      732.7686      156.4  
1 1 1 27 11 17 o 1.479000       1.045000      215.9678      -71.0  
1 1 1 27 11 18 o 5.349000       1.092000      121.3919      62.6   
1 1 1 27 11 19 o 13.29000       1.141000      503.0058      84.9   
1 1 1 27 11 20 o 24.35000       1.278000      642.6930      -64.6  
1 1 1 27 11 21 o 20.84000       1.271000      520.2822      89.6   
1 1 1 27 11 22 o 5.589000       1.115000      419.4923      28.2   
1 1 1 27 11 23 o 4.536000       1.058000      287.5831      -138.8 
1 1 1 27 11 24 o 7.951000       1.171000      317.4756      -24.1  
1 1 1 27 11 25 o 12.01000       1.350000      465.0949      44.7   
1 1 1 27 11 26 o 10.90000       1.244000      606.4813      -108.7 
1 1 1 27 11 27 o 6.925000       1.397000      341.7785      159.9  
1 1 1 27 11 28 o 7.943000       1.264000      348.2540      -19.7  
1 1 1 27 11 29 o 55.48000       2.020000      827.2305      43.7   
1 1 1 27 11 30 o 17.73000       1.219000      613.3805      166.6  
1 1 1 27 11 31 f 2.637000       1.121000      69.54186      -20.5  
1 1 1 27 11 32 o 13.00000       1.206000      491.4134      -84.2  
1 1 1 27 11 33 o 7.662000       1.181000      384.2332      -82.9  
1 1 1 27 11 34 o 13.31000       1.350000      484.2025      -166.6 
1 1 1 27 11 35 o -0.1118000     1.333000      208.1421      -116.8 
1 1 1 27 11 36 o 17.54000       1.424000      676.0350      139.2  
1 1 1 27 11 37 o 1.734000       1.303000      305.7008      73.0   
1 1 1 27 11 38 o 4.419000       1.370000      239.1999      109.7  
1 1 1 27 11 39 o 25.60000       1.739000      727.5551      39.6   
1 1 1 27 11 40 o 13.09000       1.463000      490.9632      131.4  
1 1 1 27 11 41 o 8.869000       1.436000      302.6907      -161.8 
1 1 1 27 11 42 o 16.04000       1.408000      534.4595      121.0  
1 1 1 27 11 43 o 6.232000       1.297000      356.3669      -83.8  
1 1 1 27 11 44 o 8.472000       1.338000      398.2211      -78.2  
1 1 1 27 11 45 o 2.596000       1.314000      233.4231      -18.0  
1 1 1 27 11 46 o 7.600000       1.361000      331.1126      -124.8 
1 1 1 27 11 47 o 8.660000       1.542000      408.3366      92.0   
1 1 1 27 11 48 o 8.444000       1.634000      357.9863      -175.8 
1 1 1 27 11 49 o -0.9438000E-01 1.407000      ?             ?      
1 1 1 27 11 50 o -1.633000      1.228000      ?             ?      
1 1 1 27 11 51 o -0.3137000     1.210000      ?             ?      
1 1 1 27 11 52 o 0.5684000      1.212000      ?             ?      
1 1 1 27 11 53 o 2.322000       1.211000      ?             ?      
1 1 1 27 11 54 o 1.162000       1.196000      ?             ?      
1 1 1 27 11 55 o 2.347000       1.382000      ?             ?      
1 1 1 27 11 56 f 6.632000       1.519000      ?             ?      
1 1 1 27 11 57 o 7.530000       1.374000      ?             ?      
1 1 1 27 11 58 o 2.001000       1.306000      ?             ?      
1 1 1 27 11 59 o 0.6313000      1.393000      ?             ?      
1 1 1 27 11 60 o -0.4988000     1.333000      ?             ?      
1 1 1 27 11 61 o 1.248000       1.244000      ?             ?      
1 1 1 27 11 62 o 2.073000       1.255000      ?             ?      
1 1 1 27 11 63 o 0.8475000      1.729000      ?             ?      
1 1 1 27 11 64 o 2.224000       1.526000      ?             ?      
1 1 1 27 11 65 o -0.9147000     1.440000      ?             ?      
1 1 1 27 11 66 o 1.748000       1.326000      ?             ?      
1 1 1 27 12 0  o 24.08000       1.850000      752.1323      -90.0  
1 1 1 27 12 1  o 6.558000       1.164000      329.3894      -162.1 
1 1 1 27 12 2  o 67.48000       1.971000      1106.216      179.4  
1 1 1 27 12 3  o 18.04000       1.361000      367.6673      173.1  
1 1 1 27 12 4  o 26.54000       1.567000      605.2949      -110.3 
1 1 1 27 12 5  o 48.25000       1.572000      876.3289      112.8  
1 1 1 27 12 6  o 22.20000       1.349000      578.8946      155.4  
1 1 1 27 12 7  o 9.448000       1.177000      269.6555      -9.8   
1 1 1 27 12 8  o 0.3447000      1.132000      419.2992      -110.0 
1 1 1 27 12 9  o 4.734000       1.127000      225.1991      -62.5  
1 1 1 27 12 10 o 133.9000       4.046000      1768.505      161.5  
1 1 1 27 12 11 o 5.134000       1.244000      220.7355      69.7   
1 1 1 27 12 12 o 6.359000       1.187000      311.3364      -95.7  
1 1 1 27 12 13 o 20.35000       1.336000      533.5215      37.1   
1 1 1 27 12 14 o 7.937000       1.118000      337.9728      158.0  
1 1 1 27 12 15 o 7.492000       1.106000      277.5228      170.0  
1 1 1 27 12 16 o 20.44000       1.223000      544.4002      107.8  
1 1 1 27 12 17 o 1.794000       1.101000      238.3000      126.0  
1 1 1 27 12 18 o 6.218000       1.091000      518.0814      -0.4   
1 1 1 27 12 19 o 3.113000       1.123000      340.7729      -49.7  
1 1 1 27 12 20 o 1.584000       1.081000      132.5317      -23.2  
1 1 1 27 12 21 o 2.924000       1.125000      240.2017      157.7  
1 1 1 27 12 22 o 3.166000       1.126000      277.6430      -80.3  
1 1 1 27 12 23 o -1.308000      1.049000      51.39515      126.9  
1 1 1 27 12 24 o 35.90000       1.417000      685.8011      -71.4  
1 1 1 27 12 25 o 15.67000       1.314000      459.6915      127.0  
1 1 1 27 12 26 o 1.829000       1.178000      230.1944      143.4  
1 1 1 27 12 27 o -0.3458000     1.249000      42.45329      47.6   
1 1 1 27 12 28 o 8.340000       1.236000      291.0229      89.1   
1 1 1 27 12 29 o 2.625000       1.094000      252.0280      38.2   
1 1 1 27 12 30 o -0.7450000     1.072000      118.0038      3.2    
1 1 1 27 12 31 o 2.146000       1.094000      242.9463      58.6   
1 1 1 27 12 32 o 21.82000       1.314000      610.7524      72.7   
1 1 1 27 12 33 o 21.19000       1.322000      687.8600      -61.9  
1 1 1 27 12 34 o -0.7208000     1.282000      91.87186      -134.4 
1 1 1 27 12 35 o 2.034000       1.297000      147.8811      -151.5 
1 1 1 27 12 36 o 2.528000       1.379000      146.2405      74.8   
1 1 1 27 12 37 o 3.186000       1.296000      203.3760      -88.6  
1 1 1 27 12 38 o 0.4862000      1.367000      110.2672      -24.8  
1 1 1 27 12 39 o 8.578000       1.475000      467.2213      -142.8 
1 1 1 27 12 40 o 9.698000       1.569000      501.6328      -16.5  
1 1 1 27 12 41 o 14.61000       1.483000      486.1364      -21.3  
1 1 1 27 12 42 o 4.185000       1.309000      238.1460      -129.7 
1 1 1 27 12 43 o -0.3264000     1.278000      137.8486      102.2  
1 1 1 27 12 44 o 12.10000       1.380000      376.3738      59.9   
1 1 1 27 12 45 o 10.66000       1.383000      475.9661      -25.3  
1 1 1 27 12 46 o 3.254000       1.420000      361.5915      -77.2  
1 1 1 27 12 47 o -1.032000      1.501000      73.35633      -8.3   
1 1 1 27 12 48 o 1.340000       1.469000      ?             ?      
1 1 1 27 12 49 o 4.383000       1.326000      ?             ?      
1 1 1 27 12 50 o 1.966000       1.226000      ?             ?      
1 1 1 27 12 51 o 2.383000       1.217000      ?             ?      
1 1 1 27 12 52 o 1.250000       1.207000      ?             ?      
1 1 1 27 12 53 o 0.1486000      1.207000      ?             ?      
1 1 1 27 12 54 o 2.212000       1.222000      ?             ?      
1 1 1 27 12 55 o -0.3599000     1.231000      ?             ?      
1 1 1 27 12 56 o 0.2466000      1.374000      ?             ?      
1 1 1 27 12 57 o 1.873000       1.324000      ?             ?      
1 1 1 27 12 58 o 2.442000       1.321000      ?             ?      
1 1 1 27 12 59 o -1.728000      1.287000      ?             ?      
1 1 1 27 12 60 o 0.6242000      1.322000      ?             ?      
1 1 1 27 12 61 o 2.051000       1.249000      ?             ?      
1 1 1 27 12 62 o 1.024000       1.375000      ?             ?      
1 1 1 27 12 63 o 2.720000       1.464000      ?             ?      
1 1 1 27 12 64 o -0.2210000     1.530000      ?             ?      
1 1 1 27 12 65 o 2.511000       1.395000      ?             ?      
1 1 1 27 12 66 o 1.641000       1.320000      ?             ?      
1 1 1 27 13 0  o 21.95000       2.137000      693.0404      90.0   
1 1 1 27 13 1  o 20.40000       1.246000      631.8701      8.8    
1 1 1 27 13 2  o 1.272000       1.121000      424.8298      35.1   
1 1 1 27 13 3  o 40.20000       1.655000      787.9883      -103.7 
1 1 1 27 13 4  o 33.35000       1.454000      531.1965      112.7  
1 1 1 27 13 5  o -0.7923000     1.099000      361.1390      10.7   
1 1 1 27 13 6  o 0.8181000      1.093000      332.4874      136.0  
1 1 1 27 13 7  o 5.361000       1.110000      196.6488      3.7    
1 1 1 27 13 8  o 4.477000       1.095000      386.8410      -87.9  
1 1 1 27 13 9  o 0.5746000      1.156000      310.0231      -5.9   
1 1 1 27 13 10 o -1.724000      1.107000      201.4901      113.5  
1 1 1 27 13 11 o 11.47000       1.152000      586.6481      134.7  
1 1 1 27 13 12 o -0.3695000     1.063000      215.2164      3.9    
1 1 1 27 13 13 o 8.177000       1.161000      524.2376      23.4   
1 1 1 27 13 14 o 17.26000       1.293000      572.6641      -57.2  
1 1 1 27 13 15 o 6.261000       1.094000      462.2920      -96.7  
1 1 1 27 13 16 o 11.49000       1.266000      497.8604      135.8  
1 1 1 27 13 17 o 8.260000       1.191000      546.0140      25.2   
1 1 1 27 13 18 o -0.1278000     1.061000      143.8315      -12.6  
1 1 1 27 13 19 o 3.734000       1.121000      221.1063      54.4   
1 1 1 27 13 20 o 5.673000       1.136000      280.6750      -138.4 
1 1 1 27 13 21 o 6.605000       1.120000      283.6740      -34.5  
1 1 1 27 13 22 o 25.51000       1.295000      666.2999      -49.9  
1 1 1 27 13 23 o 4.680000       1.074000      334.6118      34.5   
1 1 1 27 13 24 o 8.074000       1.210000      483.2699      175.1  
1 1 1 27 13 25 o 24.42000       1.435000      738.5251      55.1   
1 1 1 27 13 26 o 4.164000       1.417000      297.6342      -109.4 
1 1 1 27 13 27 o 3.439000       1.215000      328.2867      144.1  
1 1 1 27 13 28 o 3.587000       1.154000      256.6612      -28.5  
1 1 1 27 13 29 o 12.33000       1.138000      444.8444      107.9  
1 1 1 27 13 30 o 16.60000       1.241000      530.5466      164.2  
1 1 1 27 13 31 o 12.70000       1.156000      397.5042      170.1  
1 1 1 27 13 32 o 3.105000       1.150000      309.3214      -43.7  
1 1 1 27 13 33 o 5.630000       1.190000      380.7504      -122.6 
1 1 1 27 13 34 o 14.82000       1.403000      570.5960      153.4  
1 1 1 27 13 35 o 1.709000       1.304000      181.1182      98.6   
1 1 1 27 13 36 o 8.638000       1.451000      469.2428      123.8  
1 1 1 27 13 37 o 0.8448000      1.313000      151.6610      -64.9  
1 1 1 27 13 38 o 10.39000       1.332000      498.9376      53.6   
1 1 1 27 13 39 o 3.634000       1.400000      366.1369      103.9  
1 1 1 27 13 40 o -1.889000      1.484000      169.9965      -120.7 
1 1 1 27 13 41 f 1.865000       1.385000      181.1299      51.2   
1 1 1 27 13 42 o -0.3581000     1.381000      248.8367      -62.3  
1 1 1 27 13 43 o 1.288000       1.305000      305.3239      -78.1  
1 1 1 27 13 44 o -1.482000      1.310000      99.49715      36.9   
1 1 1 27 13 45 o 3.158000       1.327000      166.9132      112.3  
1 1 1 27 13 46 o 2.872000       1.468000      345.3682      -164.5 
1 1 1 27 13 47 o 0.5009000      1.706000      195.6621      113.2  
1 1 1 27 13 48 o 7.017000       1.480000      ?             ?      
1 1 1 27 13 49 o 0.5514000      1.232000      ?             ?      
1 1 1 27 13 50 o 3.443000       1.224000      ?             ?      
1 1 1 27 13 51 o 1.785000       1.206000      ?             ?      
1 1 1 27 13 52 o 1.499000       1.210000      ?             ?      
1 1 1 27 13 53 o 2.616000       1.212000      ?             ?      
1 1 1 27 13 54 o 0.4219000      1.205000      ?             ?      
1 1 1 27 13 55 o 1.378000       1.208000      ?             ?      
1 1 1 27 13 56 o 1.067000       1.358000      ?             ?      
1 1 1 27 13 57 o 0.7580000      1.458000      ?             ?      
1 1 1 27 13 58 o 1.273000       1.294000      ?             ?      
1 1 1 27 13 59 o -1.288000      1.289000      ?             ?      
1 1 1 27 13 60 o 2.776000       1.437000      ?             ?      
1 1 1 27 13 61 o 1.196000       1.342000      ?             ?      
1 1 1 27 13 62 o 0.5907000      1.381000      ?             ?      
1 1 1 27 13 63 o -0.1181000     1.446000      ?             ?      
1 1 1 27 13 64 o 0.5601000      1.420000      ?             ?      
1 1 1 27 13 65 o -0.8670000E-01 1.264000      ?             ?      
1 1 1 27 13 66 o 0.4863000      2.003000      ?             ?      
1 1 1 27 14 0  o 16.03000       1.667000      509.6471      90.0   
1 1 1 27 14 1  o 7.152000       1.130000      359.2797      178.4  
1 1 1 27 14 2  o 22.41000       1.346000      665.0994      -54.9  
1 1 1 27 14 3  o 1.324000       1.118000      170.3651      -166.2 
1 1 1 27 14 4  o 8.635000       1.111000      371.6598      113.8  
1 1 1 27 14 5  o 3.184000       1.069000      312.2359      151.1  
1 1 1 27 14 6  o 8.124000       1.190000      452.3787      -93.2  
1 1 1 27 14 7  o 1.772000       1.114000      127.0511      116.9  
1 1 1 27 14 8  o 3.651000       1.057000      65.37617      -160.2 
1 1 1 27 14 9  o -2.269000      1.047000      158.7102      131.6  
1 1 1 27 14 10 o 14.74000       1.150000      453.4583      -178.9 
1 1 1 27 14 11 o -0.3013000     1.070000      26.38763      48.4   
1 1 1 27 14 12 o -1.266000      1.077000      339.9596      -165.1 
1 1 1 27 14 13 o 12.20000       1.279000      383.0818      116.9  
1 1 1 27 14 14 o 11.12000       1.239000      625.8612      110.4  
1 1 1 27 14 15 o 2.795000       1.100000      213.9055      51.4   
1 1 1 27 14 16 o 47.48000       1.695000      929.9772      107.1  
1 1 1 27 14 17 o 0.2010000      1.163000      112.7987      61.1   
1 1 1 27 14 18 o 3.793000       1.084000      251.3747      -1.5   
1 1 1 27 14 19 o 13.69000       1.155000      675.8447      -2.9   
1 1 1 27 14 20 o 20.85000       1.232000      533.8881      31.7   
1 1 1 27 14 21 o 6.531000       1.126000      351.1188      58.7   
1 1 1 27 14 22 o -0.6101000     1.082000      129.7277      131.5  
1 1 1 27 14 23 o 2.395000       1.082000      239.7008      -140.3 
1 1 1 27 14 24 o 6.234000       1.158000      290.7616      -117.7 
1 1 1 27 14 25 f 3.423000       1.287000      322.1275      122.5  
1 1 1 27 14 26 o 20.95000       1.642000      560.0400      172.7  
1 1 1 27 14 27 o 3.279000       1.209000      345.4317      9.5    
1 1 1 27 14 28 o 8.062000       1.079000      420.1367      -79.5  
1 1 1 27 14 29 o 6.189000       1.092000      361.7462      -108.4 
1 1 1 27 14 30 o 18.78000       1.265000      814.8005      171.9  
1 1 1 27 14 31 o 6.398000       1.133000      417.4589      86.5   
1 1 1 27 14 32 o 2.138000       1.116000      122.8700      -68.9  
1 1 1 27 14 33 o 9.956000       1.219000      417.8412      -133.3 
1 1 1 27 14 34 o 2.284000       1.215000      323.8964      171.6  
1 1 1 27 14 35 o 10.40000       1.375000      432.4883      -115.7 
1 1 1 27 14 36 o 1.574000       1.448000      277.2615      103.5  
1 1 1 27 14 37 o 7.594000       1.376000      385.7884      -163.0 
1 1 1 27 14 38 o 5.776000       1.390000      391.6837      -28.7  
1 1 1 27 14 39 o 1.725000       1.403000      268.4259      141.1  
1 1 1 27 14 40 o 1.938000       1.424000      235.3950      -43.5  
1 1 1 27 14 41 o 4.098000       1.535000      287.9132      -26.8  
1 1 1 27 14 42 o 9.435000       1.461000      442.5497      -161.7 
1 1 1 27 14 43 o 11.76000       1.385000      465.5728      27.2   
1 1 1 27 14 44 o 2.749000       1.309000      235.7220      -54.7  
1 1 1 27 14 45 o 6.366000       1.421000      345.4009      -12.0  
1 1 1 27 14 46 o 1.828000       1.445000      281.4108      -150.1 
1 1 1 27 14 47 o 3.182000       1.437000      ?             ?      
1 1 1 27 14 48 o 0.8280000E-01  1.327000      ?             ?      
1 1 1 27 14 49 o 3.446000       1.238000      ?             ?      
1 1 1 27 14 50 o 1.192000       1.219000      ?             ?      
1 1 1 27 14 51 f 0.2019000      1.190000      ?             ?      
1 1 1 27 14 52 o 0.4169000      1.189000      ?             ?      
1 1 1 27 14 53 o 2.594000       1.202000      ?             ?      
1 1 1 27 14 54 o 3.902000       1.230000      ?             ?      
1 1 1 27 14 55 o -0.2472000     1.188000      ?             ?      
1 1 1 27 14 56 o 1.382000       1.360000      ?             ?      
1 1 1 27 14 57 o 3.775000       1.471000      ?             ?      
1 1 1 27 14 58 o 0.6373000      1.297000      ?             ?      
1 1 1 27 14 59 f 3.055000       1.237000      ?             ?      
1 1 1 27 14 60 o 0.5399000      1.333000      ?             ?      
1 1 1 27 14 61 o -0.2789000E-02 1.375000      ?             ?      
1 1 1 27 14 62 o 1.109000       1.449000      ?             ?      
1 1 1 27 14 63 o 0.6199000      1.502000      ?             ?      
1 1 1 27 14 64 o 1.448000       1.764000      ?             ?      
1 1 1 27 14 65 o 1.271000       1.272000      ?             ?      
1 1 1 27 15 0  o 2.418000       1.522000      401.4702      90.0   
1 1 1 27 15 1  o 9.332000       1.125000      529.9707      -77.1  
1 1 1 27 15 2  o 5.068000       1.090000      504.7650      92.2   
1 1 1 27 15 3  o 8.090000       1.232000      667.0497      130.2  
1 1 1 27 15 4  o 5.873000       1.174000      229.8783      -159.3 
1 1 1 27 15 5  o -0.5177000     1.053000      287.2876      39.6   
1 1 1 27 15 6  o 1.141000       1.041000      89.85325      101.0  
1 1 1 27 15 7  o 5.434000       1.056000      276.5532      -177.7 
1 1 1 27 15 8  o 6.951000       1.076000      425.4805      -99.0  
1 1 1 27 15 9  o 14.16000       1.142000      573.8792      -45.4  
1 1 1 27 15 10 o 2.347000       1.090000      267.4153      -142.5 
1 1 1 27 15 11 o 0.8905000      1.118000      199.2689      3.0    
1 1 1 27 15 12 o 9.835000       1.178000      631.5432      -62.6  
1 1 1 27 15 13 o 13.22000       1.183000      442.7932      -54.3  
1 1 1 27 15 14 o 6.085000       1.275000      374.0475      -124.1 
1 1 1 27 15 15 o 2.577000       1.242000      359.3268      -151.6 
1 1 1 27 15 16 o 8.327000       1.157000      409.8893      10.3   
1 1 1 27 15 17 o -1.107000      1.067000      157.0033      175.6  
1 1 1 27 15 18 o 8.540000       1.124000      559.6561      86.1   
1 1 1 27 15 19 f 10.59000       1.137000      431.0952      122.0  
1 1 1 27 15 20 o 6.770000       1.119000      366.1492      159.1  
1 1 1 27 15 21 o 12.77000       1.158000      408.0533      -70.8  
1 1 1 27 15 22 o -0.4852000     1.063000      168.8697      -176.0 
1 1 1 27 15 23 o 2.800000       1.184000      132.1953      164.8  
1 1 1 27 15 24 o -0.3252000     1.436000      150.2640      175.1  
1 1 1 27 15 25 o 16.55000       1.423000      613.0551      19.7   
1 1 1 27 15 26 o 1.030000       1.219000      258.7129      153.5  
1 1 1 27 15 27 o 2.038000       1.139000      221.8603      -70.3  
1 1 1 27 15 28 o 0.3384000      1.036000      105.3627      -5.3   
1 1 1 27 15 29 o 3.506000       1.056000      148.1833      -61.2  
1 1 1 27 15 30 o 1.391000       1.075000      205.4238      -143.2 
1 1 1 27 15 31 o 4.669000       1.112000      353.6938      -92.1  
1 1 1 27 15 32 o 3.079000       1.115000      310.9148      -119.3 
1 1 1 27 15 33 o 7.173000       1.156000      347.5859      -134.7 
1 1 1 27 15 34 o 1.644000       1.183000      150.8563      54.8   
1 1 1 27 15 35 o -0.1716000     1.335000      76.55997      100.4  
1 1 1 27 15 36 o 8.977000       1.469000      413.2742      -66.2  
1 1 1 27 15 37 o -1.528000      1.481000      95.97897      -156.3 
1 1 1 27 15 38 o 5.687000       1.381000      289.1859      -30.4  
1 1 1 27 15 39 o 4.093000       1.288000      286.5101      80.2   
1 1 1 27 15 40 o -1.775000      1.410000      192.7151      -112.2 
1 1 1 27 15 41 o 2.931000       1.528000      139.8541      -88.4  
1 1 1 27 15 42 o 0.3302000      1.414000      184.5638      38.1   
1 1 1 27 15 43 o -0.8283000     1.400000      110.1794      -95.5  
1 1 1 27 15 44 o 0.2508000      1.287000      167.7114      117.8  
1 1 1 27 15 45 o 2.185000       1.424000      191.8563      -86.7  
1 1 1 27 15 46 o 0.3408000      1.610000      127.2455      -139.5 
1 1 1 27 15 47 o 2.219000       1.395000      ?             ?      
1 1 1 27 15 48 o -1.039000      1.219000      ?             ?      
1 1 1 27 15 49 o 2.581000       1.214000      ?             ?      
1 1 1 27 15 50 o 2.130000       1.204000      ?             ?      
1 1 1 27 15 51 o 1.412000       1.190000      ?             ?      
1 1 1 27 15 52 o -0.1610000     1.162000      ?             ?      
1 1 1 27 15 53 o 1.550000       1.188000      ?             ?      
1 1 1 27 15 54 o -0.6673000     1.180000      ?             ?      
1 1 1 27 15 55 o 1.244000       1.189000      ?             ?      
1 1 1 27 15 56 o 1.398000       1.216000      ?             ?      
1 1 1 27 15 57 o -0.6473000E-01 1.362000      ?             ?      
1 1 1 27 15 58 o -0.2421000     1.303000      ?             ?      
1 1 1 27 15 59 o -0.3508000     1.319000      ?             ?      
1 1 1 27 15 60 o 1.075000       1.320000      ?             ?      
1 1 1 27 15 61 o 1.788000       1.648000      ?             ?      
1 1 1 27 15 62 f 1.109000       1.782000      ?             ?      
1 1 1 27 15 63 o 2.351000       1.445000      ?             ?      
1 1 1 27 15 64 o 0.9516000E-01  1.263000      ?             ?      
1 1 1 27 15 65 o 0.5457000      1.275000      ?             ?      
1 1 1 27 16 0  o -1.559000      1.572000      38.57556      90.0   
1 1 1 27 16 1  o 4.986000       1.163000      409.9995      -132.6 
1 1 1 27 16 2  o 7.088000       1.133000      485.3086      -33.1  
1 1 1 27 16 3  o 5.141000       1.081000      396.7723      -141.1 
1 1 1 27 16 4  o 12.19000       1.116000      616.0596      -167.7 
1 1 1 27 16 5  o 1.398000       1.035000      294.6742      -9.5   
1 1 1 27 16 6  o -0.3937000     1.037000      80.55660      -81.6  
1 1 1 27 16 7  o 4.761000       1.136000      368.0214      -50.5  
1 1 1 27 16 8  o 13.38000       1.229000      631.8979      25.4   
1 1 1 27 16 9  o -0.9293000     1.069000      170.5487      -80.7  
1 1 1 27 16 10 o 0.1351000      1.058000      286.5674      76.1   
1 1 1 27 16 11 o 0.1947000E-01  1.092000      159.0183      118.1  
1 1 1 27 16 12 o 6.410000       1.170000      433.7185      110.7  
1 1 1 27 16 13 o -0.6103000     1.069000      39.85470      -117.8 
1 1 1 27 16 14 o -2.694000      1.074000      58.03820      117.7  
1 1 1 27 16 15 o 0.4527000      1.088000      231.8922      -175.8 
1 1 1 27 16 16 o 2.208000       1.163000      147.4800      102.5  
1 1 1 27 16 17 o 0.6776000      1.054000      163.9215      81.1   
1 1 1 27 16 18 o 2.497000       1.077000      124.6976      -144.5 
1 1 1 27 16 19 o 0.8488000      1.063000      137.4498      -59.3  
1 1 1 27 16 20 o -1.108000      1.066000      130.3059      166.0  
1 1 1 27 16 21 o 1.422000       1.056000      241.3998      -50.7  
1 1 1 27 16 22 o 0.8652000      1.143000      114.3177      -11.7  
1 1 1 27 16 23 o 12.06000       1.251000      466.4898      -100.6 
1 1 1 27 16 24 o 1.576000       1.268000      149.8223      89.0   
1 1 1 27 16 25 o 6.662000       1.333000      432.3774      -154.7 
1 1 1 27 16 26 o 1.919000       1.181000      156.5265      -140.0 
1 1 1 27 16 27 o 1.377000       1.066000      218.8321      -49.1  
1 1 1 27 16 28 o 6.521000       1.089000      314.7154      -74.5  
1 1 1 27 16 29 o 1.775000       1.047000      92.84681      153.4  
1 1 1 27 16 30 o 1.636000       1.065000      315.3163      136.2  
1 1 1 27 16 31 o 3.857000       1.099000      310.3861      -9.5   
1 1 1 27 16 32 o 4.660000       1.113000      240.0726      -47.1  
1 1 1 27 16 33 o 3.780000       1.147000      412.8633      164.0  
1 1 1 27 16 34 o 3.499000       1.184000      239.4676      -30.3  
1 1 1 27 16 35 o 8.414000       1.469000      439.9099      -20.8  
1 1 1 27 16 36 o 2.557000       1.431000      310.4426      159.6  
1 1 1 27 16 37 o 4.118000       1.522000      278.9960      -9.4   
1 1 1 27 16 38 o -0.7749000     1.342000      209.5663      -77.2  
1 1 1 27 16 39 o 2.819000       1.282000      301.9493      128.0  
1 1 1 27 16 40 o 0.8823000      1.404000      174.1523      -67.5  
1 1 1 27 16 41 o 4.195000       1.443000      230.6288      -17.2  
1 1 1 27 16 42 o 0.4618000      1.509000      63.53315      -53.7  
1 1 1 27 16 43 o -1.507000      1.785000      189.7127      -3.4   
1 1 1 27 16 44 o 2.169000       1.316000      155.5115      -6.1   
1 1 1 27 16 45 o 1.914000       1.414000      143.8706      82.1   
1 1 1 27 16 46 o 2.633000       1.401000      119.9923      136.7  
1 1 1 27 16 47 o 1.375000       1.357000      ?             ?      
1 1 1 27 16 48 o 3.003000       1.229000      ?             ?      
1 1 1 27 16 49 o 0.1008000      1.183000      ?             ?      
1 1 1 27 16 50 o -0.8356000     1.179000      ?             ?      
1 1 1 27 16 51 o 0.7574000      1.174000      ?             ?      
1 1 1 27 16 52 o -0.4869000     1.161000      ?             ?      
1 1 1 27 16 53 o 0.8294000      1.179000      ?             ?      
1 1 1 27 16 54 o 1.552000       1.185000      ?             ?      
1 1 1 27 16 55 o -0.8366000     1.183000      ?             ?      
1 1 1 27 16 56 o 1.472000       1.204000      ?             ?      
1 1 1 27 16 57 o -0.8047000E-03 1.392000      ?             ?      
1 1 1 27 16 58 o 0.2481000      1.456000      ?             ?      
1 1 1 27 16 59 o -1.976000      1.311000      ?             ?      
1 1 1 27 16 60 o 0.1814000      1.236000      ?             ?      
1 1 1 27 16 61 f -0.2473000     1.582000      ?             ?      
1 1 1 27 16 62 o -2.960000      2.765000      ?             ?      
1 1 1 27 16 63 o -1.647000      1.385000      ?             ?      
1 1 1 27 16 64 o 2.011000       1.278000      ?             ?      
1 1 1 27 16 65 o 0.9388000      1.490000      ?             ?      
1 1 1 27 17 0  o -0.6161000E-01 1.393000      4.228106      90.0   
1 1 1 27 17 1  o 3.811000       1.026000      419.6124      47.0   
1 1 1 27 17 2  o -2.005000      1.132000      79.35229      23.2   
1 1 1 27 17 3  o 1.580000       1.145000      244.8611      131.2  
1 1 1 27 17 4  o 0.1267000      1.026000      240.7007      -1.3   
1 1 1 27 17 5  o 2.469000       1.119000      302.1740      4.5    
1 1 1 27 17 6  o 4.329000       1.100000      541.4280      75.8   
1 1 1 27 17 7  o 0.8202000      1.040000      228.2672      150.9  
1 1 1 27 17 8  o -2.672000      1.090000      27.27030      -17.8  
1 1 1 27 17 9  o 4.429000       1.141000      320.6761      143.5  
1 1 1 27 17 10 o -0.7001000     1.045000      50.03083      178.2  
1 1 1 27 17 11 o -1.564000      1.053000      173.7770      -111.5 
1 1 1 27 17 12 o 2.174000       1.063000      226.0790      -91.8  
1 1 1 27 17 13 o 4.434000       1.071000      506.0956      -100.3 
1 1 1 27 17 14 o 1.969000       1.100000      318.7623      -18.2  
1 1 1 27 17 15 o 0.9348000      1.091000      101.6367      -38.2  
1 1 1 27 17 16 o 1.771000       1.121000      126.6287      -127.5 
1 1 1 27 17 17 o -0.3369000     1.172000      94.19624      -61.8  
1 1 1 27 17 18 o 1.594000       1.075000      318.7167      -28.5  
1 1 1 27 17 19 o 2.168000       1.067000      247.5116      -72.4  
1 1 1 27 17 20 o -0.2189000     1.047000      100.0696      -134.1 
1 1 1 27 17 21 o 3.140000       1.056000      231.6101      -90.7  
1 1 1 27 17 22 o 0.2822000      1.104000      151.5585      149.0  
1 1 1 27 17 23 o -2.274000      1.234000      136.3924      -2.4   
1 1 1 27 17 24 o 4.935000       1.237000      502.3403      15.2   
1 1 1 27 17 25 o -2.408000      1.254000      107.5791      -2.1   
1 1 1 27 17 26 o 6.574000       1.151000      319.4061      -45.4  
1 1 1 27 17 27 o 5.069000       1.062000      304.8977      -25.3  
1 1 1 27 17 28 o -1.130000      1.043000      111.8029      72.3   
1 1 1 27 17 29 o 2.468000       1.082000      258.1206      -28.5  
1 1 1 27 17 30 o 1.349000       1.059000      165.5058      -115.1 
1 1 1 27 17 31 o 4.293000       1.071000      275.4784      -55.3  
1 1 1 27 17 32 o 1.609000       1.075000      100.1923      134.0  
1 1 1 27 17 33 o 1.865000       1.124000      247.5515      65.6   
1 1 1 27 17 34 o 2.042000       1.163000      219.3163      -31.7  
1 1 1 27 17 35 o -1.205000      1.190000      133.8915      -72.6  
1 1 1 27 17 36 o 3.591000       1.441000      315.8159      -45.4  
1 1 1 27 17 37 o 0.8802000      1.494000      62.64346      28.4   
1 1 1 27 17 38 o 0.9471000      1.361000      152.9062      135.7  
1 1 1 27 17 39 o 1.413000       1.365000      112.3067      78.0   
1 1 1 27 17 40 o -1.430000      1.252000      27.77938      -3.6   
1 1 1 27 17 41 o 0.3654000      1.410000      160.4177      19.7   
1 1 1 27 17 42 o 3.037000       1.514000      126.1979      42.9   
1 1 1 27 17 43 o -1.423000      1.365000      119.9650      16.0   
1 1 1 27 17 44 o 1.340000       1.531000      52.39392      -133.6 
1 1 1 27 17 45 o 1.732000       1.614000      193.4581      -144.2 
1 1 1 27 17 46 o -0.3857000E-01 1.360000      ?             ?      
1 1 1 27 17 47 o 1.205000       1.204000      ?             ?      
1 1 1 27 17 48 o 1.767000       1.204000      ?             ?      
1 1 1 27 17 49 o 1.287000       1.174000      ?             ?      
1 1 1 27 17 50 o -0.4684000     1.167000      ?             ?      
1 1 1 27 17 51 o 0.2181000      1.163000      ?             ?      
1 1 1 27 17 52 o -0.6086000     1.159000      ?             ?      
1 1 1 27 17 53 o -1.672000      1.154000      ?             ?      
1 1 1 27 17 54 o -1.060000      1.154000      ?             ?      
1 1 1 27 17 55 o 0.7315000E-01  1.177000      ?             ?      
1 1 1 27 17 56 o 0.8625000      1.188000      ?             ?      
1 1 1 27 17 57 o -0.7173000     1.378000      ?             ?      
1 1 1 27 17 58 o -1.488000      1.388000      ?             ?      
1 1 1 27 17 59 o 1.448000       1.316000      ?             ?      
1 1 1 27 17 60 o 0.5003000      1.356000      ?             ?      
1 1 1 27 17 61 o 0.6159000E-01  1.673000      ?             ?      
1 1 1 27 17 62 o -0.4003000     1.683000      ?             ?      
1 1 1 27 17 63 o -1.282000      1.374000      ?             ?      
1 1 1 27 17 64 o -0.5246000     1.273000      ?             ?      
1 1 1 27 18 0  o 6.616000       1.463000      503.5164      90.0   
1 1 1 27 18 1  o -0.2728000     0.9990000     115.7773      179.6  
1 1 1 27 18 2  o 1.208000       1.119000      242.6903      -166.1 
1 1 1 27 18 3  o -0.7798000     1.105000      63.28540      156.7  
1 1 1 27 18 4  o 1.783000       1.061000      169.1604      133.4  
1 1 1 27 18 5  o -1.061000      1.147000      72.67367      15.7   
1 1 1 27 18 6  o -0.5981000     1.067000      118.0257      -39.0  
1 1 1 27 18 7  o 3.409000       1.071000      254.7344      -115.7 
1 1 1 27 18 8  o -0.6960000     1.058000      20.46927      -88.8  
1 1 1 27 18 9  o 1.004000       1.066000      245.2083      -135.5 
1 1 1 27 18 10 o 0.1710000      1.079000      133.7669      -39.7  
1 1 1 27 18 11 o 1.497000       1.045000      110.7279      23.4   
1 1 1 27 18 12 o 1.104000       1.034000      103.1288      63.0   
1 1 1 27 18 13 o -0.5899000     1.033000      6.454670      155.5  
1 1 1 27 18 14 o -0.9585000E-01 1.042000      60.73146      95.8   
1 1 1 27 18 15 o 2.459000       1.136000      184.1089      154.0  
1 1 1 27 18 16 o 4.012000       1.141000      267.5804      15.8   
1 1 1 27 18 17 o 4.238000       1.153000      247.9238      38.3   
1 1 1 27 18 18 o 2.434000       1.094000      82.96248      -139.9 
1 1 1 27 18 19 o 1.587000       1.055000      140.3879      -96.0  
1 1 1 27 18 20 o 1.364000       1.051000      181.7808      -158.9 
1 1 1 27 18 21 o 0.4705000      1.133000      168.5954      -77.0  
1 1 1 27 18 22 o -1.262000      1.102000      50.13832      -175.2 
1 1 1 27 18 23 o 1.003000       1.223000      124.5048      -176.3 
1 1 1 27 18 24 o -0.4557000     1.236000      122.4213      61.0   
1 1 1 27 18 25 f 3.061000       1.143000      155.0891      178.9  
1 1 1 27 18 26 o -0.2125000     1.109000      180.1700      45.2   
1 1 1 27 18 27 f 0.5795000      1.016000      60.79456      149.1  
1 1 1 27 18 28 o 0.3119000      1.020000      157.9739      164.4  
1 1 1 27 18 29 o 2.090000       1.056000      158.9877      90.9   
1 1 1 27 18 30 o 0.6201000      1.054000      236.4110      24.7   
1 1 1 27 18 31 o 0.7067000      1.043000      101.6123      -69.3  
1 1 1 27 18 32 o 0.7615000      1.040000      94.89777      88.2   
1 1 1 27 18 33 o 2.072000       1.104000      254.8232      48.6   
1 1 1 27 18 34 o -0.9342000     1.123000      119.3350      -81.6  
1 1 1 27 18 35 o 2.351000       1.301000      158.1792      5.7    
1 1 1 27 18 36 o 1.160000       1.379000      133.2594      -141.9 
1 1 1 27 18 37 o 0.1266000      1.419000      113.4944      26.9   
1 1 1 27 18 38 o -0.3281000     1.511000      179.7575      -172.0 
1 1 1 27 18 39 o -0.3624000     1.347000      19.57523      -102.6 
1 1 1 27 18 40 o 1.327000       1.247000      154.8863      54.6   
1 1 1 27 18 41 o -0.2263000     1.410000      55.66761      63.8   
1 1 1 27 18 42 o -1.234000      1.405000      122.9145      166.2  
1 1 1 27 18 43 o 0.7668000      1.567000      125.6419      -131.2 
1 1 1 27 18 44 o -2.404000      1.521000      107.1634      110.2  
1 1 1 27 18 45 o -1.304000      1.387000      97.71402      41.9   
1 1 1 27 18 46 o 0.7049000      1.282000      ?             ?      
1 1 1 27 18 47 o 0.2355000      1.201000      ?             ?      
1 1 1 27 18 48 o -2.027000      1.180000      ?             ?      
1 1 1 27 18 49 o -1.129000      1.172000      ?             ?      
1 1 1 27 18 50 o -0.2718000     1.162000      ?             ?      
1 1 1 27 18 51 o 0.3384000      1.156000      ?             ?      
1 1 1 27 18 52 o -0.3118000     1.156000      ?             ?      
1 1 1 27 18 53 o 0.4704000      1.151000      ?             ?      
1 1 1 27 18 54 o 0.8938000      1.157000      ?             ?      
1 1 1 27 18 55 o 0.4936000      1.165000      ?             ?      
1 1 1 27 18 56 o 1.239000       1.192000      ?             ?      
1 1 1 27 18 57 o 0.2324000      1.221000      ?             ?      
1 1 1 27 18 58 o 0.6437000      1.398000      ?             ?      
1 1 1 27 18 59 o -0.7841000     1.353000      ?             ?      
1 1 1 27 18 60 o -1.865000      1.608000      ?             ?      
1 1 1 27 18 61 o 0.4895000      1.494000      ?             ?      
1 1 1 27 18 62 o -1.615000      1.570000      ?             ?      
1 1 1 27 18 63 o -0.5611000     1.370000      ?             ?      
1 1 1 27 18 64 o 1.841000       1.290000      ?             ?      
1 1 1 27 19 0  o -0.6496000     1.896000      27.02991      -90.0  
1 1 1 27 19 1  o 3.240000       1.136000      249.2423      -132.1 
1 1 1 27 19 2  o 0.6795000      1.080000      184.3437      163.1  
1 1 1 27 19 3  o 2.375000       1.070000      289.0612      52.1   
1 1 1 27 19 4  o 1.734000       1.073000      152.8260      52.5   
1 1 1 27 19 5  o -0.7941000E-02 1.013000      69.22820      73.2   
1 1 1 27 19 6  o 1.178000       0.9955000     102.3422      92.9   
1 1 1 27 19 7  o 0.2411000      1.162000      79.19312      -167.6 
1 1 1 27 19 8  o -0.7326000     1.185000      227.4010      63.9   
1 1 1 27 19 9  o -0.1229000     1.056000      184.6609      105.5  
1 1 1 27 19 10 o -1.343000      1.030000      42.44765      63.2   
1 1 1 27 19 11 o -1.246000      1.060000      148.3172      96.6   
1 1 1 27 19 12 o 0.4305000      1.061000      102.7028      -123.4 
1 1 1 27 19 13 o 1.062000       1.045000      234.5952      -72.7  
1 1 1 27 19 14 o -1.439000      1.058000      120.1267      15.5   
1 1 1 27 19 15 o -0.6383000     1.134000      67.86772      150.1  
1 1 1 27 19 16 o -0.8940000     1.128000      88.41904      -63.2  
1 1 1 27 19 17 o 0.8297000      1.156000      260.7024      -2.6   
1 1 1 27 19 18 o 0.8381000      1.155000      155.4824      -62.3  
1 1 1 27 19 19 o 0.5731000      1.072000      224.8472      -36.7  
1 1 1 27 19 20 o -0.2314000     1.058000      159.5530      -125.2 
1 1 1 27 19 21 o -0.8692000     1.114000      156.0305      -37.4  
1 1 1 27 19 22 o -1.457000      1.219000      92.56532      115.5  
1 1 1 27 19 23 o 0.3263000E-01  1.140000      55.22558      -157.7 
1 1 1 27 19 24 o -0.2756000     1.170000      107.5999      -30.1  
1 1 1 27 19 25 o 0.7610000      1.095000      114.8402      -44.2  
1 1 1 27 19 26 o 3.901000       1.055000      286.5448      -62.5  
1 1 1 27 19 27 o 1.416000       1.019000      18.87583      57.4   
1 1 1 27 19 28 o -0.6898000     0.9991000     37.05598      -109.1 
1 1 1 27 19 29 o -1.274000      1.015000      91.79276      -19.0  
1 1 1 27 19 30 o 0.6352000E-01  1.032000      135.6006      -129.8 
1 1 1 27 19 31 o -0.1447000     1.042000      164.8494      29.9   
1 1 1 27 19 32 o 0.2397000      1.041000      106.5186      114.2  
1 1 1 27 19 33 o -0.3720000     1.059000      40.11752      76.8   
1 1 1 27 19 34 o 3.703000       1.118000      119.0211      -170.6 
1 1 1 27 19 35 o 1.474000       1.154000      156.0193      -51.9  
1 1 1 27 19 36 o -1.456000      1.343000      60.13040      53.1   
1 1 1 27 19 37 o 1.148000       1.368000      71.87640      -69.5  
1 1 1 27 19 38 o 1.403000       1.549000      247.6060      178.3  
1 1 1 27 19 39 o 1.113000       1.341000      132.7339      28.1   
1 1 1 27 19 40 o 0.9385000      1.271000      57.43126      -150.2 
1 1 1 27 19 41 o -1.365000      1.250000      146.7658      -104.1 
1 1 1 27 19 42 o 2.168000       1.399000      159.6093      -17.2  
1 1 1 27 19 43 o 2.153000       1.657000      130.1906      -42.4  
1 1 1 27 19 44 o -1.095000      1.782000      66.02747      -66.8  
1 1 1 27 19 45 o -0.8834000     1.502000      ?             ?      
1 1 1 27 19 46 o -0.5808000     1.198000      ?             ?      
1 1 1 27 19 47 o -0.8201000     1.194000      ?             ?      
1 1 1 27 19 48 o -0.9869000     1.182000      ?             ?      
1 1 1 27 19 49 o 0.9542000      1.164000      ?             ?      
1 1 1 27 19 50 o -0.3060000     1.157000      ?             ?      
1 1 1 27 19 51 o 0.1318000      1.136000      ?             ?      
1 1 1 27 19 52 o -1.159000      1.140000      ?             ?      
1 1 1 27 19 53 o 1.178000       1.149000      ?             ?      
1 1 1 27 19 54 o -0.4484000     1.138000      ?             ?      
1 1 1 27 19 55 o 1.341000       1.171000      ?             ?      
1 1 1 27 19 56 o 0.1194000E-01  1.190000      ?             ?      
1 1 1 27 19 57 o -1.834000      1.185000      ?             ?      
1 1 1 27 19 58 o 0.1540000      1.389000      ?             ?      
1 1 1 27 19 59 o -2.180000      1.694000      ?             ?      
1 1 1 27 19 60 o 0.9774000E-01  1.615000      ?             ?      
1 1 1 27 19 61 o -1.839000      1.388000      ?             ?      
1 1 1 27 19 62 o -0.7288000     1.344000      ?             ?      
1 1 1 27 19 63 o 2.983000       1.470000      ?             ?      
1 1 1 27 19 64 o 1.846000       1.855000      ?             ?      
1 1 1 27 20 0  o -0.8954000     1.604000      72.63573      90.0   
1 1 1 27 20 1  o 0.4300000      1.078000      82.32564      -100.6 
1 1 1 27 20 2  o -1.595000      1.004000      52.17199      118.8  
1 1 1 27 20 3  o 0.9110000      1.386000      28.32514      -20.7  
1 1 1 27 20 4  o -1.417000      1.186000      71.80447      -42.2  
1 1 1 27 20 5  o -1.712000      0.9942000     76.55276      176.8  
1 1 1 27 20 6  o -0.9215000     0.9987000     148.7332      -177.2 
1 1 1 27 20 7  o -1.563000      1.024000      104.4891      -143.8 
1 1 1 27 20 8  o -0.8477000E-02 1.035000      67.97946      -132.5 
1 1 1 27 20 9  o -0.1216000     1.041000      110.9759      168.5  
1 1 1 27 20 10 o 0.7471000      1.198000      127.7782      -160.4 
1 1 1 27 20 11 o -1.114000      1.202000      67.64705      38.3   
1 1 1 27 20 12 o -0.8313000     1.039000      97.40181      41.9   
1 1 1 27 20 13 o -1.051000      1.056000      61.15959      75.8   
1 1 1 27 20 14 o -1.668000      1.076000      65.63953      101.7  
1 1 1 27 20 15 o 0.7185000E-01  1.143000      68.96671      120.4  
1 1 1 27 20 16 f 0.6690000      1.152000      62.83388      -35.0  
1 1 1 27 20 17 o -1.080000      1.151000      48.02945      2.0    
1 1 1 27 20 18 o 0.4286000E-01  1.123000      77.08098      116.5  
1 1 1 27 20 19 o -1.101000      1.136000      47.08049      -83.3  
1 1 1 27 20 20 o -1.539000      1.095000      82.07904      -144.5 
1 1 1 27 20 21 o 0.7713000      1.111000      150.0796      -73.5  
1 1 1 27 20 22 o -0.5285000     1.227000      61.30089      142.4  
1 1 1 27 20 23 o -1.364000      1.148000      79.86526      -8.4   
1 1 1 27 20 24 o -0.1734000     1.068000      18.86676      -66.7  
1 1 1 27 20 25 o 0.7609000      1.077000      55.50389      158.3  
1 1 1 27 20 26 o -0.8174000     1.025000      135.1476      85.5   
1 1 1 27 20 27 o 0.8426000E-01  1.012000      102.4027      10.2   
1 1 1 27 20 28 o 0.1921000      0.9967000     93.27248      161.4  
1 1 1 27 20 29 o -0.3290000     0.9949000     147.6186      -58.6  
1 1 1 27 20 30 o 0.5459000      1.021000      117.4453      -17.6  
1 1 1 27 20 31 o 1.005000       1.419000      63.75323      179.3  
1 1 1 27 20 32 o -0.3512000     1.059000      82.14497      85.0   
1 1 1 27 20 33 o 1.871000       1.073000      53.22349      -53.1  
1 1 1 27 20 34 o 1.729000       1.082000      102.7208      -116.7 
1 1 1 27 20 35 o 0.4461000      1.113000      53.62234      -156.9 
1 1 1 27 20 36 o 0.9674000      1.361000      21.49617      -175.1 
1 1 1 27 20 37 o -1.110000      1.391000      62.28886      -76.9  
1 1 1 27 20 38 o -1.022000      1.466000      11.38965      60.8   
1 1 1 27 20 39 o -0.8820000     1.337000      95.91322      -117.7 
1 1 1 27 20 40 o 1.263000       1.336000      12.38381      99.4   
1 1 1 27 20 41 o 0.3774000E-01  1.225000      68.07587      75.7   
1 1 1 27 20 42 o -0.5785000     1.302000      87.99519      -133.4 
1 1 1 27 20 43 o -0.9338000     1.620000      54.23159      -84.0  
1 1 1 27 20 44 o 0.3899000      1.723000      92.97010      81.8   
1 1 1 27 20 45 o 0.5259000E-02  1.427000      ?             ?      
1 1 1 27 20 46 o 0.1312000      1.211000      ?             ?      
1 1 1 27 20 47 o -0.5292000     1.192000      ?             ?      
1 1 1 27 20 48 o -3.240000      1.270000      ?             ?      
1 1 1 27 20 49 o 0.5618000      1.171000      ?             ?      
1 1 1 27 20 50 o -1.431000      1.142000      ?             ?      
1 1 1 27 20 51 o -1.105000      1.126000      ?             ?      
1 1 1 27 20 52 o -0.4687000     1.144000      ?             ?      
1 1 1 27 20 53 o -0.4654000     1.152000      ?             ?      
1 1 1 27 20 54 o 0.2574000      1.150000      ?             ?      
1 1 1 27 20 55 o 0.6292000      1.162000      ?             ?      
1 1 1 27 20 56 o 1.092000       1.176000      ?             ?      
1 1 1 27 20 57 o -2.204000      1.193000      ?             ?      
1 1 1 27 20 58 o 0.4311000E-01  1.386000      ?             ?      
1 1 1 27 20 59 o -0.5010000     1.673000      ?             ?      
1 1 1 27 20 60 o -0.9887000     1.642000      ?             ?      
1 1 1 27 20 61 o -0.1623000     1.568000      ?             ?      
1 1 1 27 20 62 o 0.8972000      1.361000      ?             ?      
1 1 1 27 20 63 o -1.085000      1.359000      ?             ?      
1 1 1 27 21 0  o -2.480000      1.338000      31.75871      -90.0  
1 1 1 27 21 1  o -0.4643000     0.9752000     103.9664      -129.9 
1 1 1 27 21 2  o -1.014000      1.045000      9.717627      -23.4  
1 1 1 27 21 3  o 1.104000       1.051000      114.6729      -2.3   
1 1 1 27 21 4  o -1.708000      1.015000      86.61602      -113.9 
1 1 1 27 21 5  o -0.8224000     1.229000      78.76117      34.5   
1 1 1 27 21 6  o -0.9183000     1.199000      55.71986      -37.0  
1 1 1 27 21 7  o -0.5703000     1.049000      36.12699      -178.0 
1 1 1 27 21 8  o -2.088000      1.071000      82.40655      87.1   
1 1 1 27 21 9  o -1.802000      1.049000      74.41763      47.7   
1 1 1 27 21 10 o -0.4085000     1.030000      55.27306      86.8   
1 1 1 27 21 11 o -0.3388000     1.203000      144.5660      -110.2 
1 1 1 27 21 12 o -0.9684000     1.038000      39.79525      -134.1 
1 1 1 27 21 13 o -1.815000      1.177000      38.78492      -104.8 
1 1 1 27 21 14 o -2.880000      1.256000      50.34458      145.1  
1 1 1 27 21 15 o -2.041000      1.190000      75.37119      157.3  
1 1 1 27 21 16 o -0.5910000     1.188000      27.90391      -78.8  
1 1 1 27 21 17 o 1.216000       1.181000      98.25836      -107.7 
1 1 1 27 21 18 o 0.2470000      1.144000      43.88896      -107.6 
1 1 1 27 21 19 o -0.6316000     1.277000      66.44158      63.0   
1 1 1 27 21 20 o 0.1623000      1.272000      24.26221      -164.1 
1 1 1 27 21 21 o -1.176000      1.161000      24.56137      -144.5 
1 1 1 27 21 22 o -1.590000      1.175000      59.05431      46.9   
1 1 1 27 21 23 o 0.2118000      1.253000      101.7899      -106.1 
1 1 1 27 21 24 o 0.5090000      1.099000      104.1050      -80.0  
1 1 1 27 21 25 o 0.3048000      1.004000      111.7295      139.1  
1 1 1 27 21 26 o 0.6489000      1.006000      44.07494      -37.6  
1 1 1 27 21 27 o 0.9586000      1.017000      8.457148      150.6  
1 1 1 27 21 28 o -1.229000      0.9915000     135.0749      54.2   
1 1 1 27 21 29 o 0.1138000      0.9905000     38.36851      -89.1  
1 1 1 27 21 30 o -0.2329000     1.007000      54.61661      -53.7  
1 1 1 27 21 31 o 0.5100000      1.044000      14.24230      -87.1  
1 1 1 27 21 32 o -1.140000      1.068000      98.77021      32.5   
1 1 1 27 21 33 o -0.7994000     1.059000      91.47730      -142.1 
1 1 1 27 21 34 o -0.1612000     1.066000      50.90549      -25.8  
1 1 1 27 21 35 o 1.428000       1.092000      87.65398      9.5    
1 1 1 27 21 36 o -1.408000      1.145000      38.87006      -162.2 
1 1 1 27 21 37 o 1.402000       1.397000      55.44465      -52.1  
1 1 1 27 21 38 o 0.7051000      1.409000      74.95520      25.8   
1 1 1 27 21 39 o 1.488000       1.267000      93.83813      123.9  
1 1 1 27 21 40 o 2.228000       1.325000      58.25080      -129.8 
1 1 1 27 21 41 o 2.509000       1.221000      130.2500      -21.7  
1 1 1 27 21 42 o -1.289000      1.335000      56.58573      17.9   
1 1 1 27 21 43 o -2.462000      1.934000      71.62886      -95.5  
1 1 1 27 21 44 o 2.303000       1.549000      ?             ?      
1 1 1 27 21 45 o 0.6406000      1.319000      ?             ?      
1 1 1 27 21 46 o 0.6004000      1.289000      ?             ?      
1 1 1 27 21 47 o 0.5572000      1.170000      ?             ?      
1 1 1 27 21 48 o 1.028000       1.183000      ?             ?      
1 1 1 27 21 49 o 1.149000       1.160000      ?             ?      
1 1 1 27 21 50 o -0.7059000     1.145000      ?             ?      
1 1 1 27 21 51 o 0.5069000      1.153000      ?             ?      
1 1 1 27 21 52 o 1.032000       1.167000      ?             ?      
1 1 1 27 21 53 o 2.405000       1.170000      ?             ?      
1 1 1 27 21 54 o 0.2861000      1.158000      ?             ?      
1 1 1 27 21 55 o 0.5177000      1.171000      ?             ?      
1 1 1 27 21 56 o 1.988000       1.178000      ?             ?      
1 1 1 27 21 57 o -0.7774000     1.184000      ?             ?      
1 1 1 27 21 58 o -1.187000      1.317000      ?             ?      
1 1 1 27 21 59 o -0.6985000     1.666000      ?             ?      
1 1 1 27 21 60 f 1.034000       1.805000      ?             ?      
1 1 1 27 21 61 o -1.252000      1.345000      ?             ?      
1 1 1 27 21 62 o -0.8239000E-01 1.345000      ?             ?      
1 1 1 27 21 63 o -1.287000      1.437000      ?             ?      
1 1 1 27 22 0  o 0.5164000      1.329000      4.686712      90.0   
1 1 1 27 22 1  o 0.5414000      0.9567000     34.76117      -40.3  
1 1 1 27 22 2  o -0.1282000     0.9470000     40.63947      25.8   
1 1 1 27 22 3  o -0.7802000     1.027000      69.92019      47.3   
1 1 1 27 22 4  o 0.2532000      1.033000      88.87820      -14.9  
1 1 1 27 22 5  o -2.240000      1.029000      122.0298      109.5  
1 1 1 27 22 6  o -0.3544000E-01 1.015000      138.2595      145.3  
1 1 1 27 22 7  o -2.137000      1.091000      27.45913      -104.9 
1 1 1 27 22 8  o -1.942000      1.295000      76.19588      20.7   
1 1 1 27 22 9  o 0.8021000      1.230000      82.18487      -42.5  
1 1 1 27 22 10 o -0.2439000E-01 1.050000      60.63797      73.5   
1 1 1 27 22 11 o -0.9050000E-01 1.055000      58.77163      -13.2  
1 1 1 27 22 12 o 0.2109000      1.051000      59.14761      -173.0 
1 1 1 27 22 13 o -0.6301000     1.050000      96.70168      -78.0  
1 1 1 27 22 14 o 0.9690000      1.109000      59.48306      -110.8 
1 1 1 27 22 15 o -0.9018000     1.120000      12.77333      26.5   
1 1 1 27 22 16 o 0.1676000E-01  1.422000      125.6447      -85.3  
1 1 1 27 22 17 o -2.039000      1.428000      66.94874      -33.1  
1 1 1 27 22 18 o -0.4374000     1.180000      153.0550      -91.2  
1 1 1 27 22 19 o 1.116000       1.319000      79.06432      -65.4  
1 1 1 27 22 20 o 1.284000       1.359000      112.0219      -84.1  
1 1 1 27 22 21 o 0.6258000      1.297000      111.9702      -25.3  
1 1 1 27 22 22 o 1.258000       1.191000      105.9995      12.8   
1 1 1 27 22 23 o -0.1267000     1.165000      79.46641      45.5   
1 1 1 27 22 24 o -1.129000      1.141000      34.20318      -57.3  
1 1 1 27 22 25 o 0.7551000      1.024000      39.59920      126.2  
1 1 1 27 22 26 o -0.2977000E-01 0.9963000     48.37298      -160.6 
1 1 1 27 22 27 o 0.4495000      1.003000      104.8701      59.3   
1 1 1 27 22 28 o 0.6045000      0.9929000     66.32187      29.8   
1 1 1 27 22 29 o -0.8137000     0.9942000     57.61451      -168.7 
1 1 1 27 22 30 o 0.7110000      1.034000      34.21700      -27.3  
1 1 1 27 22 31 o 0.7788000      1.057000      29.43248      114.8  
1 1 1 27 22 32 o -0.4060000     1.057000      95.93363      31.0   
1 1 1 27 22 33 o -2.179000      1.051000      80.65105      76.1   
1 1 1 27 22 34 o -1.200000      1.071000      42.09833      -56.6  
1 1 1 27 22 35 o 1.505000       1.077000      98.33394      88.8   
1 1 1 27 22 36 o 0.1239000      1.108000      65.78856      24.3   
1 1 1 27 22 37 o -1.055000      1.387000      91.51324      121.2  
1 1 1 27 22 38 o 1.356000       1.413000      71.01733      -96.6  
1 1 1 27 22 39 o 0.3972000      1.447000      105.7310      -8.4   
1 1 1 27 22 40 o 1.154000       1.214000      37.51617      139.2  
1 1 1 27 22 41 o -0.2447000     1.254000      35.08494      -175.6 
1 1 1 27 22 42 o -1.143000      1.328000      43.01714      -37.9  
1 1 1 27 22 43 o -0.3364000     1.480000      ?             ?      
1 1 1 27 22 44 o -0.9801000E-01 1.369000      ?             ?      
1 1 1 27 22 45 o -0.9198000     1.380000      ?             ?      
1 1 1 27 22 46 o -0.1792000     1.283000      ?             ?      
1 1 1 27 22 47 o 0.1488000      1.186000      ?             ?      
1 1 1 27 22 48 o 0.9158000      1.172000      ?             ?      
1 1 1 27 22 49 o -1.277000      1.153000      ?             ?      
1 1 1 27 22 50 o -0.5419000     1.154000      ?             ?      
1 1 1 27 22 51 o -0.1080000     1.156000      ?             ?      
1 1 1 27 22 52 o -0.5688000     1.157000      ?             ?      
1 1 1 27 22 53 o -1.660000      1.153000      ?             ?      
1 1 1 27 22 54 o -0.3098000     1.166000      ?             ?      
1 1 1 27 22 55 o 0.3820000      1.158000      ?             ?      
1 1 1 27 22 56 o -1.519000      1.164000      ?             ?      
1 1 1 27 22 57 o 0.1110000      1.177000      ?             ?      
1 1 1 27 22 58 o 0.8804000      1.369000      ?             ?      
1 1 1 27 22 59 o -1.021000      1.671000      ?             ?      
1 1 1 27 22 60 o -1.882000      2.521000      ?             ?      
1 1 1 27 22 61 o -0.8186000     1.807000      ?             ?      
1 1 1 27 22 62 o -1.835000      1.342000      ?             ?      
1 1 1 27 23 0  o -0.4504000     1.316000      2.272707      90.0   
1 1 1 27 23 1  o -1.006000      0.9344000     105.0316      95.2   
1 1 1 27 23 2  o 0.3681000      0.9154000     40.23656      -60.2  
1 1 1 27 23 3  f 0.5196000E-01  1.020000      19.64301      -34.9  
1 1 1 27 23 4  o -0.2174000     0.9895000     44.63859      164.3  
1 1 1 27 23 5  o -0.9417000     1.024000      143.6411      -38.9  
1 1 1 27 23 6  o -0.2604000     1.009000      89.32784      -161.5 
1 1 1 27 23 7  o -0.6899000     1.041000      225.4320      116.8  
1 1 1 27 23 8  o -0.9138000     1.065000      158.6418      33.4   
1 1 1 27 23 9  o 2.217000       1.053000      52.20665      28.8   
1 1 1 27 23 10 o -0.2347000E-01 1.113000      98.61701      -16.1  
1 1 1 27 23 11 o 0.8109000      1.315000      91.25763      -90.3  
1 1 1 27 23 12 o 0.3193000      1.221000      194.2999      85.9   
1 1 1 27 23 13 o 1.969000       1.078000      161.8870      -26.4  
1 1 1 27 23 14 o -0.3920000     1.088000      81.67728      -23.2  
1 1 1 27 23 15 o 1.549000       1.094000      30.84840      77.4   
1 1 1 27 23 16 o 1.270000       1.163000      163.8205      68.8   
1 1 1 27 23 17 o -0.6967000     1.158000      12.74189      107.0  
1 1 1 27 23 18 o -0.3353000     1.356000      103.8331      108.7  
1 1 1 27 23 19 o -4.429000      1.999000      176.9973      24.5   
1 1 1 27 23 20 o 0.1730000      2.081000      45.34166      3.6    
1 1 1 27 23 21 o -0.6119000     1.232000      85.96486      93.3   
1 1 1 27 23 22 o -2.163000      1.485000      71.21350      -33.8  
1 1 1 27 23 23 o -1.358000      1.215000      74.53207      15.6   
1 1 1 27 23 24 o 0.4542000E-01  1.086000      148.3019      -83.7  
1 1 1 27 23 25 o -1.996000      1.028000      90.39751      80.3   
1 1 1 27 23 26 o 2.483000       1.015000      88.65068      -49.0  
1 1 1 27 23 27 o -1.354000      1.002000      19.20251      -49.1  
1 1 1 27 23 28 o 0.8955000      0.9996000     61.21508      19.4   
1 1 1 27 23 29 o 0.5416000      1.025000      100.3374      1.2    
1 1 1 27 23 30 f -1.031000      1.047000      110.4377      -116.4 
1 1 1 27 23 31 o 0.9560000      1.079000      152.0836      -178.1 
1 1 1 27 23 32 o 0.2694000      1.078000      118.2005      76.0   
1 1 1 27 23 33 o 0.2487000      1.051000      91.31074      -164.4 
1 1 1 27 23 34 o -1.987000      1.060000      21.61969      88.5   
1 1 1 27 23 35 o 2.505000       1.097000      162.8276      118.4  
1 1 1 27 23 36 o 0.7832000      1.113000      115.0172      -13.2  
1 1 1 27 23 37 o -0.3150000     1.384000      123.3916      25.2   
1 1 1 27 23 38 o -0.3158000     1.386000      19.17031      136.3  
1 1 1 27 23 39 o 2.876000       1.445000      133.5907      -142.1 
1 1 1 27 23 40 o 0.4187000      1.225000      84.87365      37.5   
1 1 1 27 23 41 o 1.488000       1.359000      65.91632      106.9  
1 1 1 27 23 42 o 1.223000       1.374000      36.19471      -100.2 
1 1 1 27 23 43 o 0.8675000      1.305000      ?             ?      
1 1 1 27 23 44 o 2.607000       1.308000      ?             ?      
1 1 1 27 23 45 o -1.023000      1.268000      ?             ?      
1 1 1 27 23 46 o 1.433000       1.349000      ?             ?      
1 1 1 27 23 47 o 0.4590000      1.246000      ?             ?      
1 1 1 27 23 48 o 0.6672000      1.158000      ?             ?      
1 1 1 27 23 49 f -0.6042000     1.151000      ?             ?      
1 1 1 27 23 50 o 0.5197000E-01  1.143000      ?             ?      
1 1 1 27 23 51 o -0.4884000     1.139000      ?             ?      
1 1 1 27 23 52 o 1.059000       1.160000      ?             ?      
1 1 1 27 23 53 o 0.2257000      1.165000      ?             ?      
1 1 1 27 23 54 o 0.3846000      1.176000      ?             ?      
1 1 1 27 23 55 o -1.048000      1.166000      ?             ?      
1 1 1 27 23 56 o 0.6290000      1.169000      ?             ?      
1 1 1 27 23 57 o 0.7589000      1.256000      ?             ?      
1 1 1 27 23 58 o 0.8083000      1.509000      ?             ?      
1 1 1 27 23 59 o -2.708000      2.026000      ?             ?      
1 1 1 27 23 60 o -1.368000      1.499000      ?             ?      
1 1 1 27 23 61 o -0.3046000     1.350000      ?             ?      
1 1 1 27 23 62 o -0.3539000     1.342000      ?             ?      
1 1 1 27 24 0  o -2.655000      1.306000      75.75207      -90.0  
1 1 1 27 24 1  o -1.030000      0.9113000     94.79932      154.8  
1 1 1 27 24 2  o 0.1441000      0.9121000     103.8200      -40.6  
1 1 1 27 24 3  o -0.8267000E-01 0.9203000     144.3871      18.8   
1 1 1 27 24 4  o 0.9559000      0.9864000     73.80039      163.0  
1 1 1 27 24 5  o 2.203000       1.015000      246.3540      -118.8 
1 1 1 27 24 6  o 0.2575000      1.013000      163.1179      130.6  
1 1 1 27 24 7  o 0.8739000E-01  0.9877000     27.35018      -17.5  
1 1 1 27 24 8  o 1.083000       1.010000      76.53481      154.2  
1 1 1 27 24 9  o -0.8657000     1.026000      156.8316      32.8   
1 1 1 27 24 10 o -0.6682000     1.065000      83.00219      -105.2 
1 1 1 27 24 11 o 0.1581000E-01  1.065000      97.48246      -176.7 
1 1 1 27 24 12 o -0.6448000     1.048000      182.4930      142.1  
1 1 1 27 24 13 o -1.190000      1.094000      96.56188      -87.6  
1 1 1 27 24 14 o 0.5041000      1.233000      154.9262      149.7  
1 1 1 27 24 15 o -2.662000      1.222000      181.8307      -125.0 
1 1 1 27 24 16 o 1.226000       1.137000      79.94282      -12.1  
1 1 1 27 24 17 o -0.1878000     1.255000      26.86989      113.9  
1 1 1 27 24 18 o -0.4711000E-02 1.279000      6.286660      44.1   
1 1 1 27 24 19 o -0.7252000     1.402000      159.0421      -51.5  
1 1 1 27 24 20 o -0.4926000     1.275000      136.2208      -40.0  
1 1 1 27 24 21 o -0.3502000     1.272000      115.9310      92.8   
1 1 1 27 24 22 o -0.3187000E-01 1.468000      87.02396      102.5  
1 1 1 27 24 23 o 2.978000       1.440000      170.5029      38.3   
1 1 1 27 24 24 o 0.5630000      1.056000      208.6906      7.2    
1 1 1 27 24 25 o 0.4981000      1.063000      95.39423      131.9  
1 1 1 27 24 26 o 2.697000       1.077000      209.4058      132.9  
1 1 1 27 24 27 o 2.135000       1.050000      300.3579      64.0   
1 1 1 27 24 28 o -0.3827000     1.022000      30.01806      -43.0  
1 1 1 27 24 29 o 3.167000       1.050000      184.0631      -48.1  
1 1 1 27 24 30 o 0.6303000E-01  1.054000      92.29308      -75.1  
1 1 1 27 24 31 o -1.543000      1.057000      71.61764      65.1   
1 1 1 27 24 32 o 0.1994000      1.054000      84.56774      125.2  
1 1 1 27 24 33 o 0.1982000E-02  1.048000      67.42107      -167.3 
1 1 1 27 24 34 o -0.2723000     1.070000      58.73308      148.3  
1 1 1 27 24 35 o 1.069000       1.092000      128.7581      24.7   
1 1 1 27 24 36 o -1.308000      1.126000      53.90710      140.1  
1 1 1 27 24 37 o 1.789000       1.137000      94.18869      -38.2  
1 1 1 27 24 38 o 1.487000       1.361000      164.1393      -7.9   
1 1 1 27 24 39 o -0.5329000     1.407000      44.61695      152.2  
1 1 1 27 24 40 o -0.1490000     1.272000      137.8922      -164.5 
1 1 1 27 24 41 o -0.2170000     1.489000      7.331711      -23.8  
1 1 1 27 24 42 o 0.6514000      1.302000      ?             ?      
1 1 1 27 24 43 o 1.871000       1.208000      ?             ?      
1 1 1 27 24 44 o 0.7906000      1.165000      ?             ?      
1 1 1 27 24 45 o -0.2812000     1.267000      ?             ?      
1 1 1 27 24 46 o -0.3938000     1.326000      ?             ?      
1 1 1 27 24 47 o 1.257000       1.229000      ?             ?      
1 1 1 27 24 48 o 1.900000       1.251000      ?             ?      
1 1 1 27 24 49 o -0.1525000     1.150000      ?             ?      
1 1 1 27 24 50 o 0.3927000      1.130000      ?             ?      
1 1 1 27 24 51 o 0.7357000      1.136000      ?             ?      
1 1 1 27 24 52 o 0.9589000      1.165000      ?             ?      
1 1 1 27 24 53 o -1.614000      1.155000      ?             ?      
1 1 1 27 24 54 o 0.6615000      1.167000      ?             ?      
1 1 1 27 24 55 o -0.3514000     1.172000      ?             ?      
1 1 1 27 24 56 o 2.263000       1.284000      ?             ?      
1 1 1 27 24 57 o -2.550000      1.492000      ?             ?      
1 1 1 27 24 58 o 0.5769000      1.957000      ?             ?      
1 1 1 27 24 59 o -0.3535000     1.375000      ?             ?      
1 1 1 27 24 60 o 2.403000       1.426000      ?             ?      
1 1 1 27 24 61 o 0.8071000      1.504000      ?             ?      
1 1 1 27 25 0  o -1.304000      1.286000      144.5956      90.0   
1 1 1 27 25 1  o -1.497000      0.9007000     47.40817      -113.4 
1 1 1 27 25 2  o 1.303000       0.9207000     132.8552      -91.8  
1 1 1 27 25 3  o 0.3425000      0.9165000     110.9570      69.4   
1 1 1 27 25 4  o 0.8635000      0.9980000     231.8274      24.3   
1 1 1 27 25 5  o 0.5941000      0.9997000     186.1266      -90.0  
1 1 1 27 25 6  o -0.9330000E-01 1.006000      136.0050      -44.0  
1 1 1 27 25 7  o 0.6395000      1.043000      174.1535      54.2   
1 1 1 27 25 8  o 3.008000       1.004000      247.9145      19.0   
1 1 1 27 25 9  o -0.3847000E-01 1.003000      71.63998      -124.6 
1 1 1 27 25 10 o 0.3151000E-01  1.003000      27.22287      42.8   
1 1 1 27 25 11 o -0.4431000E-02 1.010000      224.7422      -109.0 
1 1 1 27 25 12 o 3.141000       1.045000      273.4944      53.9   
1 1 1 27 25 13 o 0.1134000      1.085000      138.5960      -37.6  
1 1 1 27 25 14 f -0.6748000     1.068000      113.6334      16.6   
1 1 1 27 25 15 o 1.082000       1.071000      227.4926      -162.6 
1 1 1 27 25 16 o 0.5583000      1.159000      224.3325      47.4   
1 1 1 27 25 17 o -0.6239000     1.282000      66.75529      26.5   
1 1 1 27 25 18 o 6.110000       1.348000      309.2111      52.7   
1 1 1 27 25 19 o 1.374000       1.198000      287.7582      51.5   
1 1 1 27 25 20 o 0.1813000      1.237000      156.5040      -24.0  
1 1 1 27 25 21 o 2.457000       1.458000      214.2165      134.6  
1 1 1 27 25 22 o 6.360000       1.442000      312.9336      63.8   
1 1 1 27 25 23 o -1.022000      1.313000      73.24599      25.5   
1 1 1 27 25 24 o 1.676000       1.199000      258.4584      -76.0  
1 1 1 27 25 25 o 0.6665000      1.102000      87.99561      22.5   
1 1 1 27 25 26 o -0.8778000E-01 1.116000      56.04826      -106.8 
1 1 1 27 25 27 o 2.859000       1.070000      177.2578      -28.5  
1 1 1 27 25 28 o 0.3778000      1.086000      159.0230      97.2   
1 1 1 27 25 29 o -1.259000      1.074000      48.83232      -3.1   
1 1 1 27 25 30 o 1.547000       1.055000      53.73215      -136.6 
1 1 1 27 25 31 o 0.9181000      1.059000      49.77485      -134.4 
1 1 1 27 25 32 o 0.9506000      1.076000      129.1805      156.5  
1 1 1 27 25 33 o 0.7947000      1.085000      138.8609      -160.6 
1 1 1 27 25 34 o 0.1461000      1.076000      134.9603      77.4   
1 1 1 27 25 35 o 0.4555000E-02  1.103000      53.38078      -78.8  
1 1 1 27 25 36 o 3.671000       1.139000      223.4842      17.8   
1 1 1 27 25 37 o 0.5552000      1.127000      109.0285      53.8   
1 1 1 27 25 38 o -1.514000      1.320000      78.36810      -176.7 
1 1 1 27 25 39 o -2.251000      1.344000      161.9556      -154.7 
1 1 1 27 25 40 o 0.4082000      1.624000      212.5569      88.7   
1 1 1 27 25 41 o 0.9418000      1.504000      ?             ?      
1 1 1 27 25 42 o -0.7021000     1.215000      ?             ?      
1 1 1 27 25 43 o 1.251000       1.092000      ?             ?      
1 1 1 27 25 44 o -0.2683000     1.131000      ?             ?      
1 1 1 27 25 45 o -2.031000      1.236000      ?             ?      
1 1 1 27 25 46 o -2.620000      1.215000      ?             ?      
1 1 1 27 25 47 o 0.2660000      1.301000      ?             ?      
1 1 1 27 25 48 o -0.8403000     1.223000      ?             ?      
1 1 1 27 25 49 o 0.8246000      1.133000      ?             ?      
1 1 1 27 25 50 o 0.3465000      1.127000      ?             ?      
1 1 1 27 25 51 o 1.840000       1.147000      ?             ?      
1 1 1 27 25 52 o 0.1122000      1.162000      ?             ?      
1 1 1 27 25 53 o -1.200000      1.162000      ?             ?      
1 1 1 27 25 54 o 1.235000       1.285000      ?             ?      
1 1 1 27 25 55 o 0.9356000      1.299000      ?             ?      
1 1 1 27 25 56 o -1.096000      1.355000      ?             ?      
1 1 1 27 25 57 o 0.5636000E-01  1.378000      ?             ?      
1 1 1 27 25 58 o -1.419000      1.348000      ?             ?      
1 1 1 27 25 59 o 0.2291000      1.221000      ?             ?      
1 1 1 27 25 60 o 1.353000       1.424000      ?             ?      
1 1 1 27 25 61 o -0.9598000     1.499000      ?             ?      
1 1 1 27 26 0  o 1.339000       1.296000      88.31027      90.0   
1 1 1 27 26 1  o 1.247000       0.9224000     198.5676      -156.0 
1 1 1 27 26 2  o 0.8730000      0.9327000     122.9787      62.7   
1 1 1 27 26 3  o 4.464000       0.9474000     330.2517      70.1   
1 1 1 27 26 4  o 6.553000       1.110000      368.4633      164.7  
1 1 1 27 26 5  o 3.811000       1.012000      257.1526      48.3   
1 1 1 27 26 6  o 0.6536000      1.010000      98.96169      87.4   
1 1 1 27 26 7  o 3.669000       1.044000      215.3053      95.8   
1 1 1 27 26 8  o 1.183000       1.041000      133.3610      179.8  
1 1 1 27 26 9  o 3.388000       1.005000      207.3607      -73.2  
1 1 1 27 26 10 o 0.4761000      0.9738000     134.9081      -142.5 
1 1 1 27 26 11 o 1.690000       0.9767000     243.2088      142.5  
1 1 1 27 26 12 o 1.007000       0.9727000     30.62588      51.6   
1 1 1 27 26 13 o 3.410000       1.039000      306.8768      104.1  
1 1 1 27 26 14 o 1.568000       1.027000      164.3046      -11.5  
1 1 1 27 26 15 o 1.873000       1.070000      265.7480      -121.3 
1 1 1 27 26 16 o 0.1347000      1.355000      51.26194      63.6   
1 1 1 27 26 17 o 7.887000       1.384000      323.7577      177.9  
1 1 1 27 26 18 o -2.193000      1.308000      180.5318      174.5  
1 1 1 27 26 19 o 2.424000       1.191000      116.2938      -77.9  
1 1 1 27 26 20 o -1.817000      1.313000      72.08579      -104.8 
1 1 1 27 26 21 o 1.137000       1.666000      139.0780      94.5   
1 1 1 27 26 22 o -1.556000      1.332000      24.83221      1.4    
1 1 1 27 26 23 o 7.387000       1.214000      386.5333      67.3   
1 1 1 27 26 24 o 2.963000       1.152000      244.9690      13.9   
1 1 1 27 26 25 o 3.923000       1.177000      184.8654      111.8  
1 1 1 27 26 26 o 1.934000       1.047000      163.3971      105.8  
1 1 1 27 26 27 o -1.311000      1.051000      110.4944      16.2   
1 1 1 27 26 28 o 1.197000       1.089000      184.7575      -19.6  
1 1 1 27 26 29 o -0.2993000     1.091000      149.3012      -129.1 
1 1 1 27 26 30 o 0.4508000      1.061000      29.50612      118.8  
1 1 1 27 26 31 o -0.8456000     1.119000      132.6452      -129.9 
1 1 1 27 26 32 o 1.687000       1.140000      200.3055      -110.3 
1 1 1 27 26 33 o 2.434000       1.089000      179.7608      -34.2  
1 1 1 27 26 34 o 1.776000       1.083000      84.56711      98.1   
1 1 1 27 26 35 o 1.802000       1.105000      214.9681      -88.6  
1 1 1 27 26 36 o 1.518000       1.114000      78.97942      -41.5  
1 1 1 27 26 37 o 2.518000       1.116000      186.9332      -82.9  
1 1 1 27 26 38 o 1.122000       1.328000      203.8195      -83.9  
1 1 1 27 26 39 o -1.064000      1.439000      43.89030      -150.6 
1 1 1 27 26 40 o -0.7867000     1.764000      ?             ?      
1 1 1 27 26 41 o 2.297000       1.519000      ?             ?      
1 1 1 27 26 42 o 1.415000       1.201000      ?             ?      
1 1 1 27 26 43 o 1.816000       1.063000      ?             ?      
1 1 1 27 26 44 o 0.6006000      1.067000      ?             ?      
1 1 1 27 26 45 o 0.3359000      1.085000      ?             ?      
1 1 1 27 26 46 o 0.3523000      1.211000      ?             ?      
1 1 1 27 26 47 o 1.122000       1.215000      ?             ?      
1 1 1 27 26 48 o -0.2048000     1.214000      ?             ?      
1 1 1 27 26 49 o 0.7537000      1.223000      ?             ?      
1 1 1 27 26 50 o -0.1941000     1.116000      ?             ?      
1 1 1 27 26 51 o -0.2640000     1.131000      ?             ?      
1 1 1 27 26 52 o -1.365000      1.244000      ?             ?      
1 1 1 27 26 53 o 0.4979000E-01  1.268000      ?             ?      
1 1 1 27 26 54 o 0.3010000      1.271000      ?             ?      
1 1 1 27 26 55 o 1.203000       1.200000      ?             ?      
1 1 1 27 26 56 o -0.3255000     1.359000      ?             ?      
1 1 1 27 26 57 o 0.3869000      1.534000      ?             ?      
1 1 1 27 26 58 o -1.685000      1.274000      ?             ?      
1 1 1 27 26 59 o 2.289000       1.237000      ?             ?      
1 1 1 27 26 60 o -1.115000      1.742000      ?             ?      
1 1 1 27 27 0  o 1.659000       1.291000      192.0081      -90.0  
1 1 1 27 27 1  o 6.675000       0.9412000     256.7424      -149.0 
1 1 1 27 27 2  o 5.413000       0.9407000     268.5578      -136.5 
1 1 1 27 27 3  o 0.5979000      0.9397000     199.9937      -110.3 
1 1 1 27 27 4  o 2.149000       1.051000      75.55101      72.6   
1 1 1 27 27 5  o 3.031000       1.027000      226.5062      -127.9 
1 1 1 27 27 6  o 0.3854000      1.024000      124.1121      77.0   
1 1 1 27 27 7  o 6.580000       1.058000      365.8517      -22.5  
1 1 1 27 27 8  o 2.026000       1.013000      223.5636      160.4  
1 1 1 27 27 9  o 1.068000       0.9523000     121.9492      -159.5 
1 1 1 27 27 10 o 1.223000       0.9549000     112.5411      -33.5  
1 1 1 27 27 11 o 3.800000       0.9790000     241.3662      176.5  
1 1 1 27 27 12 o 4.340000       0.9706000     231.8577      138.9  
1 1 1 27 27 13 o 3.313000       1.030000      156.7708      -28.1  
1 1 1 27 27 14 o 0.8197000      1.028000      169.0054      -77.1  
1 1 1 27 27 15 o 1.773000       1.199000      124.0414      -108.8 
1 1 1 27 27 16 o 27.56000       1.560000      604.8832      -23.1  
1 1 1 27 27 17 o 3.347000       1.401000      319.2405      -137.8 
1 1 1 27 27 18 o 6.618000       1.217000      384.6678      65.9   
1 1 1 27 27 19 o -1.681000      1.175000      110.1695      -170.7 
1 1 1 27 27 20 o 1.959000       1.360000      166.3766      -5.2   
1 1 1 27 27 21 o 5.756000       1.369000      238.9154      144.3  
1 1 1 27 27 22 o 1.583000       1.366000      223.5996      53.0   
1 1 1 27 27 23 o -0.3657000     1.267000      108.7651      -106.1 
1 1 1 27 27 24 o 0.9138000E-01  1.273000      103.8154      32.9   
1 1 1 27 27 25 f 7.876000       1.221000      330.7344      159.1  
1 1 1 27 27 26 o 2.455000       1.200000      257.8263      176.1  
1 1 1 27 27 27 o -0.7524000     1.032000      215.0716      -29.4  
1 1 1 27 27 28 o 0.8303000      1.050000      113.5526      -150.1 
1 1 1 27 27 29 o -0.2604000     1.075000      216.0742      3.5    
1 1 1 27 27 30 o 0.3251000      1.087000      145.0152      84.0   
1 1 1 27 27 31 o 3.729000       1.142000      218.3531      100.4  
1 1 1 27 27 32 o 1.246000       1.122000      152.8291      95.6   
1 1 1 27 27 33 o 1.028000       1.073000      88.05988      66.4   
1 1 1 27 27 34 o 5.973000       1.164000      280.3883      80.5   
1 1 1 27 27 35 o 6.396000       1.201000      256.0625      -7.1   
1 1 1 27 27 36 o 2.527000       1.113000      183.1947      -41.6  
1 1 1 27 27 37 o 1.977000       1.107000      252.9254      41.5   
1 1 1 27 27 38 o -0.7604000     1.172000      126.8378      75.7   
1 1 1 27 27 39 o 0.8179000      1.420000      ?             ?      
1 1 1 27 27 40 o 3.119000       1.663000      ?             ?      
1 1 1 27 27 41 o 0.2186000      1.227000      ?             ?      
1 1 1 27 27 42 o 0.1372000      1.177000      ?             ?      
1 1 1 27 27 43 o 1.486000       1.060000      ?             ?      
1 1 1 27 27 44 o 1.514000       1.074000      ?             ?      
1 1 1 27 27 45 o 0.5716000      1.057000      ?             ?      
1 1 1 27 27 46 o 0.5295000      1.134000      ?             ?      
1 1 1 27 27 47 o 2.215000       1.187000      ?             ?      
1 1 1 27 27 48 o -1.039000      1.282000      ?             ?      
1 1 1 27 27 49 o -0.2361000     1.202000      ?             ?      
1 1 1 27 27 50 o 1.225000       1.203000      ?             ?      
1 1 1 27 27 51 o -1.117000      1.144000      ?             ?      
1 1 1 27 27 52 o 0.9203000E-01  1.240000      ?             ?      
1 1 1 27 27 53 o 2.290000       1.176000      ?             ?      
1 1 1 27 27 54 o -0.8350000E-01 1.169000      ?             ?      
1 1 1 27 27 55 o 2.264000       1.259000      ?             ?      
1 1 1 27 27 56 o -0.8873000     1.501000      ?             ?      
1 1 1 27 27 57 o -0.2399000     1.355000      ?             ?      
1 1 1 27 27 58 o -0.9578000     1.325000      ?             ?      
1 1 1 27 27 59 o -0.6599000     1.405000      ?             ?      
1 1 1 27 27 60 o -0.7063000     1.416000      ?             ?      
1 1 1 27 28 0  o 11.77000       1.334000      444.2232      -90.0  
1 1 1 27 28 1  o 6.075000       0.9031000     281.9193      -28.7  
1 1 1 27 28 2  o 9.027000       0.9391000     470.3990      55.3   
1 1 1 27 28 3  f 7.464000       0.9432000     390.2807      107.4  
1 1 1 27 28 4  o 0.7816000      0.9205000     55.34939      -8.8   
1 1 1 27 28 5  o 3.997000       1.029000      281.6563      40.8   
1 1 1 27 28 6  o 1.885000       1.031000      32.53382      122.1  
1 1 1 27 28 7  o 0.8156000      1.009000      107.3219      -136.2 
1 1 1 27 28 8  o -0.1013000     0.9805000     79.63028      92.3   
1 1 1 27 28 9  o -1.805000      0.9892000     132.2792      -88.7  
1 1 1 27 28 10 o 0.7015000      0.9385000     106.7121      -144.0 
1 1 1 27 28 11 o 0.7751000      0.9569000     153.6170      -78.0  
1 1 1 27 28 12 o 2.559000       0.9673000     193.4604      117.2  
1 1 1 27 28 13 o 6.635000       1.084000      364.1012      38.7   
1 1 1 27 28 14 o 2.301000       1.058000      191.8425      -11.8  
1 1 1 27 28 15 o -0.8540000     1.222000      166.6682      -156.6 
1 1 1 27 28 16 o 7.197000       1.308000      339.5401      -20.8  
1 1 1 27 28 17 o 8.855000       1.337000      350.4610      134.5  
1 1 1 27 28 18 o 0.9491000      1.198000      87.85391      -114.7 
1 1 1 27 28 19 o 4.988000       1.234000      331.4700      113.7  
1 1 1 27 28 20 o 1.455000       1.357000      154.6057      -46.2  
1 1 1 27 28 21 o -0.8788000     1.318000      105.4386      116.1  
1 1 1 27 28 22 o -0.4379000     1.180000      50.61967      -138.1 
1 1 1 27 28 23 o 4.836000       1.217000      361.5422      97.1   
1 1 1 27 28 24 o 3.666000       1.187000      387.0271      -42.6  
1 1 1 27 28 25 o -1.672000      1.164000      101.4010      -146.1 
1 1 1 27 28 26 o -0.7189000     1.271000      28.68334      -39.0  
1 1 1 27 28 27 o -0.7651000     1.358000      231.5155      -8.4   
1 1 1 27 28 28 o -1.202000      1.067000      137.3530      44.3   
1 1 1 27 28 29 o 19.72000       1.447000      636.5584      -157.9 
1 1 1 27 28 30 o 1.641000       1.094000      251.3533      156.9  
1 1 1 27 28 31 o 10.06000       1.149000      436.6762      -126.6 
1 1 1 27 28 32 o -1.271000      1.085000      118.7601      -179.5 
1 1 1 27 28 33 o -0.5675000     1.079000      121.4003      -155.0 
1 1 1 27 28 34 o 3.444000       1.152000      240.6672      178.3  
1 1 1 27 28 35 o 4.884000       1.169000      358.0500      -106.6 
1 1 1 27 28 36 o 3.228000       1.109000      147.5396      103.8  
1 1 1 27 28 37 o 0.8122000      1.159000      51.96105      69.4   
1 1 1 27 28 38 o 0.2568000      1.186000      ?             ?      
1 1 1 27 28 39 o -1.311000      1.485000      ?             ?      
1 1 1 27 28 40 o 5.232000       1.543000      ?             ?      
1 1 1 27 28 41 o -0.4012000     1.441000      ?             ?      
1 1 1 27 28 42 o 3.315000       1.175000      ?             ?      
1 1 1 27 28 43 o 0.8193000      1.146000      ?             ?      
1 1 1 27 28 44 o -0.2950000     1.058000      ?             ?      
1 1 1 27 28 45 o 0.9103000      1.041000      ?             ?      
1 1 1 27 28 46 o 0.4127000      1.035000      ?             ?      
1 1 1 27 28 47 o -0.4978000     1.108000      ?             ?      
1 1 1 27 28 48 o 3.856000       1.297000      ?             ?      
1 1 1 27 28 49 o 0.5929000      1.204000      ?             ?      
1 1 1 27 28 50 o -0.7280000     1.299000      ?             ?      
1 1 1 27 28 51 o -2.278000      1.125000      ?             ?      
1 1 1 27 28 52 o -0.1678000     1.143000      ?             ?      
1 1 1 27 28 53 o 1.090000       1.169000      ?             ?      
1 1 1 27 28 54 o 1.249000       1.175000      ?             ?      
1 1 1 27 28 55 o 1.096000       1.346000      ?             ?      
1 1 1 27 28 56 o -1.273000      1.969000      ?             ?      
1 1 1 27 28 57 o -0.3894000E-01 1.522000      ?             ?      
1 1 1 27 28 58 o 0.8232000E-01  1.217000      ?             ?      
1 1 1 27 28 59 o -1.828000      1.227000      ?             ?      
1 1 1 27 29 0  o 1.458000       1.191000      59.19252      -90.0  
1 1 1 27 29 1  o 1.434000       0.8603000     108.6944      -36.0  
1 1 1 27 29 2  o 1.589000       0.8694000     319.7262      -159.7 
1 1 1 27 29 3  o 0.1522000E-01  0.8821000     118.2524      -21.3  
1 1 1 27 29 4  o 1.372000       0.9110000     77.07872      -179.7 
1 1 1 27 29 5  o 1.295000       1.019000      221.0359      -73.8  
1 1 1 27 29 6  o 0.8483000      1.037000      145.2378      -129.4 
1 1 1 27 29 7  o 1.463000       1.007000      122.2215      -109.0 
1 1 1 27 29 8  f -0.4502000     0.9989000     121.6440      -148.7 
1 1 1 27 29 9  o 0.9035000      1.011000      236.4017      85.7   
1 1 1 27 29 10 o 3.598000       1.055000      292.6647      89.5   
1 1 1 27 29 11 o 5.322000       0.9807000     246.2781      119.0  
1 1 1 27 29 12 o -0.2879000     0.9838000     231.8791      141.5  
1 1 1 27 29 13 o -0.9217000     1.034000      95.20947      16.5   
1 1 1 27 29 14 o 6.237000       1.229000      289.2322      63.0   
1 1 1 27 29 15 o 1.066000       1.195000      8.391107      -66.5  
1 1 1 27 29 16 o 16.40000       1.411000      475.3758      -57.3  
1 1 1 27 29 17 f 0.3490000E-01  1.199000      172.5019      168.1  
1 1 1 27 29 18 o 5.444000       1.250000      400.6800      -173.2 
1 1 1 27 29 19 o 2.445000       1.279000      191.6827      34.8   
1 1 1 27 29 20 o 2.916000       1.366000      155.0442      -85.9  
1 1 1 27 29 21 o 3.059000       1.347000      286.5051      -160.1 
1 1 1 27 29 22 o 2.076000       1.181000      146.9850      71.2   
1 1 1 27 29 23 o 1.527000       1.173000      157.9016      -78.2  
1 1 1 27 29 24 f 3.351000       1.188000      224.1214      -174.5 
1 1 1 27 29 25 o 2.707000       1.205000      255.1459      148.6  
1 1 1 27 29 26 o -0.4102000     1.198000      89.37481      96.4   
1 1 1 27 29 27 o 0.3276000      1.204000      84.98276      -3.7   
1 1 1 27 29 28 o 17.90000       1.468000      582.6697      -75.7  
1 1 1 27 29 29 o 3.114000       1.137000      246.5568      -98.3  
1 1 1 27 29 30 o -0.1027000     1.121000      93.04006      36.5   
1 1 1 27 29 31 o 2.016000       1.105000      176.5310      151.9  
1 1 1 27 29 32 o 6.565000       1.130000      323.6470      -107.5 
1 1 1 27 29 33 o 0.7707000      1.083000      132.8870      -140.5 
1 1 1 27 29 34 o 2.919000       1.100000      277.1807      24.8   
1 1 1 27 29 35 o -0.3037000     1.089000      142.1323      -54.5  
1 1 1 27 29 36 o 2.725000       1.109000      169.4179      -72.0  
1 1 1 27 29 37 o 7.363000       1.223000      ?             ?      
1 1 1 27 29 38 o 2.763000       1.235000      ?             ?      
1 1 1 27 29 39 o 1.572000       1.359000      ?             ?      
1 1 1 27 29 40 o -1.363000      1.397000      ?             ?      
1 1 1 27 29 41 o 2.052000       1.556000      ?             ?      
1 1 1 27 29 42 o 4.481000       1.219000      ?             ?      
1 1 1 27 29 43 o 1.732000       1.153000      ?             ?      
1 1 1 27 29 44 o 2.819000       1.067000      ?             ?      
1 1 1 27 29 45 o -1.295000      1.030000      ?             ?      
1 1 1 27 29 46 o 1.475000       1.152000      ?             ?      
1 1 1 27 29 47 o -1.306000      1.063000      ?             ?      
1 1 1 27 29 48 o 0.3491000      1.111000      ?             ?      
1 1 1 27 29 49 o 0.3852000      1.307000      ?             ?      
1 1 1 27 29 50 o 2.265000       1.225000      ?             ?      
1 1 1 27 29 51 o 0.5512000      1.230000      ?             ?      
1 1 1 27 29 52 o 0.3837000      1.140000      ?             ?      
1 1 1 27 29 53 o 0.6131000E-01  1.153000      ?             ?      
1 1 1 27 29 54 o 3.061000       1.354000      ?             ?      
1 1 1 27 29 55 o 1.874000       1.768000      ?             ?      
1 1 1 27 29 56 o -0.2925000     1.343000      ?             ?      
1 1 1 27 29 57 o 1.329000       1.266000      ?             ?      
1 1 1 27 29 58 o 0.3464000      1.223000      ?             ?      
1 1 1 27 30 0  o 2.779000       1.228000      142.5894      90.0   
1 1 1 27 30 1  o -1.373000      0.8608000     85.76159      -8.2   
1 1 1 27 30 2  o 7.267000       0.9160000     378.2127      57.3   
1 1 1 27 30 3  o 2.608000       0.9019000     176.0525      -48.7  
1 1 1 27 30 4  o 5.358000       0.9513000     410.3205      11.3   
1 1 1 27 30 5  o 7.348000       1.079000      345.9200      32.2   
1 1 1 27 30 6  o 4.705000       1.112000      416.0517      -6.7   
1 1 1 27 30 7  o 1.913000       1.038000      51.95324      179.2  
1 1 1 27 30 8  o 6.861000       1.053000      363.7563      138.4  
1 1 1 27 30 9  o -1.141000      1.016000      257.8742      -92.5  
1 1 1 27 30 10 o 0.1860000      1.040000      98.86002      -164.2 
1 1 1 27 30 11 o 3.084000       1.073000      223.4408      -124.9 
1 1 1 27 30 12 o 6.853000       1.084000      362.9130      146.0  
1 1 1 27 30 13 o 2.506000       1.206000      279.6794      -11.6  
1 1 1 27 30 14 o 0.2377000      1.199000      29.24935      62.1   
1 1 1 27 30 15 f 0.4786000      1.223000      114.9304      123.0  
1 1 1 27 30 16 o 2.879000       1.137000      349.3719      -29.3  
1 1 1 27 30 17 o 1.990000       1.220000      291.4810      -172.1 
1 1 1 27 30 18 o 8.911000       1.327000      312.6457      101.3  
1 1 1 27 30 19 o 0.7954000      1.452000      128.9533      170.7  
1 1 1 27 30 20 o 0.2888000      1.397000      43.86266      -10.6  
1 1 1 27 30 21 o -0.5063000     1.202000      62.21637      -91.2  
1 1 1 27 30 22 o 1.646000       1.185000      37.55010      -136.9 
1 1 1 27 30 23 o 2.918000       1.213000      311.4705      105.9  
1 1 1 27 30 24 o 2.177000       1.206000      191.1970      -50.2  
1 1 1 27 30 25 o 2.266000       1.199000      244.1669      166.3  
1 1 1 27 30 26 o 4.112000       1.232000      262.4953      105.1  
1 1 1 27 30 27 o 1.189000       1.258000      89.75640      -115.0 
1 1 1 27 30 28 o 0.8679000      1.315000      125.9953      -71.9  
1 1 1 27 30 29 o 1.303000       1.386000      76.47597      -136.7 
1 1 1 27 30 30 o 3.923000       1.114000      209.4351      -114.6 
1 1 1 27 30 31 o 2.356000       1.121000      180.0519      -99.5  
1 1 1 27 30 32 o 0.5676000      1.141000      191.9536      99.7   
1 1 1 27 30 33 o 3.279000       1.139000      208.0044      -140.1 
1 1 1 27 30 34 o 0.3534000      1.075000      84.41084      169.7  
1 1 1 27 30 35 o 3.296000       1.101000      209.2987      117.9  
1 1 1 27 30 36 o 9.139000       1.154000      ?             ?      
1 1 1 27 30 37 o -0.4864000     1.110000      ?             ?      
1 1 1 27 30 38 o -0.6479000     1.422000      ?             ?      
1 1 1 27 30 39 o -1.821000      1.247000      ?             ?      
1 1 1 27 30 40 o -1.156000      1.304000      ?             ?      
1 1 1 27 30 41 o 0.2857000      1.423000      ?             ?      
1 1 1 27 30 42 o 11.03000       1.445000      ?             ?      
1 1 1 27 30 43 o -1.278000      1.257000      ?             ?      
1 1 1 27 30 44 o -0.4870000     1.269000      ?             ?      
1 1 1 27 30 45 o -0.2423000     1.152000      ?             ?      
1 1 1 27 30 46 o 2.945000       1.116000      ?             ?      
1 1 1 27 30 47 o 2.766000       1.029000      ?             ?      
1 1 1 27 30 48 o -0.5271000     1.116000      ?             ?      
1 1 1 27 30 49 o 1.880000       1.146000      ?             ?      
1 1 1 27 30 50 o -1.586000      1.290000      ?             ?      
1 1 1 27 30 51 o -0.8280000     1.218000      ?             ?      
1 1 1 27 30 52 o 0.9733000      1.255000      ?             ?      
1 1 1 27 30 53 o -0.5173000     1.406000      ?             ?      
1 1 1 27 30 54 o 3.098000       1.352000      ?             ?      
1 1 1 27 30 55 o -1.577000      1.479000      ?             ?      
1 1 1 27 30 56 o 2.813000       1.269000      ?             ?      
1 1 1 27 30 57 o 0.4072000      1.220000      ?             ?      
1 1 1 27 30 58 o 0.7997000      1.235000      ?             ?      
1 1 1 27 31 0  o 1.588000       1.191000      154.2540      90.0   
1 1 1 27 31 1  o 0.6025000      0.8534000     186.0082      101.0  
1 1 1 27 31 2  o 2.816000       0.8720000     184.0465      20.2   
1 1 1 27 31 3  o 2.284000       0.8932000     231.3885      107.9  
1 1 1 27 31 4  o -0.2930000     0.8907000     158.3077      -10.9  
1 1 1 27 31 5  o -0.9434000E-01 1.037000      158.4805      87.0   
1 1 1 27 31 6  o 7.808000       1.076000      465.3543      167.5  
1 1 1 27 31 7  o 5.996000       1.063000      445.5016      134.5  
1 1 1 27 31 8  o -0.9848000     1.011000      144.9846      35.7   
1 1 1 27 31 9  o 1.020000       1.017000      184.6983      97.7   
1 1 1 27 31 10 o -0.5244000     1.055000      130.0439      -95.9  
1 1 1 27 31 11 o 1.361000       1.072000      101.3969      111.4  
1 1 1 27 31 12 o 6.372000       1.241000      353.2094      126.3  
1 1 1 27 31 13 o -1.615000      1.241000      49.11326      -148.2 
1 1 1 27 31 14 o 6.234000       1.291000      385.8787      44.1   
1 1 1 27 31 15 o 0.8253000      1.289000      172.1267      -46.6  
1 1 1 27 31 16 o 12.99000       1.354000      343.6989      -50.6  
1 1 1 27 31 17 o 0.9903000      1.237000      94.43573      65.7   
1 1 1 27 31 18 o 7.499000       1.325000      358.1179      -105.0 
1 1 1 27 31 19 o 3.101000       1.471000      137.3248      45.0   
1 1 1 27 31 20 o 3.188000       1.468000      250.2128      -123.3 
1 1 1 27 31 21 o 4.419000       1.258000      247.4828      172.7  
1 1 1 27 31 22 o 4.132000       1.261000      290.2932      -58.5  
1 1 1 27 31 23 o 10.91000       1.354000      307.8046      -114.8 
1 1 1 27 31 24 o 8.158000       1.289000      466.0245      165.5  
1 1 1 27 31 25 o -0.3071000     1.238000      167.4374      -55.3  
1 1 1 27 31 26 o 2.976000       1.250000      274.9427      -95.2  
1 1 1 27 31 27 o 8.320000       1.337000      416.2618      -115.8 
1 1 1 27 31 28 o 35.83000       1.801000      751.8792      -78.0  
1 1 1 27 31 29 o -1.413000      1.270000      136.8750      98.0   
1 1 1 27 31 30 o 5.501000       1.372000      261.7790      148.0  
1 1 1 27 31 31 o 5.623000       1.196000      303.8545      -125.8 
1 1 1 27 31 32 o 3.951000       1.153000      270.9016      -80.3  
1 1 1 27 31 33 o 0.2274000      1.074000      62.27978      123.6  
1 1 1 27 31 34 o 1.151000       1.083000      41.76156      -57.3  
1 1 1 27 31 35 o 7.021000       1.156000      ?             ?      
1 1 1 27 31 36 o -0.8531000     1.089000      ?             ?      
1 1 1 27 31 37 o 3.860000       1.167000      ?             ?      
1 1 1 27 31 38 o 2.546000       1.197000      ?             ?      
1 1 1 27 31 39 o 2.940000       1.109000      ?             ?      
1 1 1 27 31 40 o 1.174000       1.324000      ?             ?      
1 1 1 27 31 41 o 5.360000       1.718000      ?             ?      
1 1 1 27 31 42 o -3.314000      1.773000      ?             ?      
1 1 1 27 31 43 o 1.017000       1.324000      ?             ?      
1 1 1 27 31 44 o 5.137000       1.328000      ?             ?      
1 1 1 27 31 45 o -0.6677000     1.026000      ?             ?      
1 1 1 27 31 46 o -0.1731000     1.023000      ?             ?      
1 1 1 27 31 47 o -0.3011000     1.064000      ?             ?      
1 1 1 27 31 48 o -0.5532000     1.093000      ?             ?      
1 1 1 27 31 49 o -2.193000      1.251000      ?             ?      
1 1 1 27 31 50 o -0.4410000     1.265000      ?             ?      
1 1 1 27 31 51 o 1.203000       1.715000      ?             ?      
1 1 1 27 31 52 o -1.647000      1.207000      ?             ?      
1 1 1 27 31 53 o 0.4710000      1.200000      ?             ?      
1 1 1 27 31 54 o 2.187000       1.738000      ?             ?      
1 1 1 27 31 55 o 3.257000       1.328000      ?             ?      
1 1 1 27 31 56 o 0.1385000      1.233000      ?             ?      
1 1 1 27 31 57 o 2.178000       1.215000      ?             ?      
1 1 1 27 32 0  o 2.808000       1.134000      73.26309      90.0   
1 1 1 27 32 1  o 3.126000       0.8213000     268.2421      -151.5 
1 1 1 27 32 2  o 1.859000       0.8523000     276.6212      170.0  
1 1 1 27 32 3  o 0.4920000      0.8547000     147.5206      58.6   
1 1 1 27 32 4  o 2.010000       0.8777000     195.6670      -52.5  
1 1 1 27 32 5  o 2.100000       1.030000      97.99265      49.7   
1 1 1 27 32 6  o 1.141000       1.004000      222.6171      -166.6 
1 1 1 27 32 7  o 0.4062000      1.023000      201.4900      -134.4 
1 1 1 27 32 8  o 4.837000       1.045000      344.9840      -127.1 
1 1 1 27 32 9  o 5.109000       1.074000      317.4439      1.1    
1 1 1 27 32 10 o 0.1531000      1.076000      90.83831      141.2  
1 1 1 27 32 11 o 15.87000       1.382000      598.3597      -134.3 
1 1 1 27 32 12 o 1.763000       1.461000      156.3491      159.3  
1 1 1 27 32 13 o 2.573000       1.496000      134.7078      -1.2   
1 1 1 27 32 14 o 0.6260000      1.354000      200.6715      9.7    
1 1 1 27 32 15 o 13.97000       1.272000      502.4319      96.5   
1 1 1 27 32 16 o 2.194000       1.197000      298.7326      -25.8  
1 1 1 27 32 17 o 3.440000       1.288000      149.8619      12.3   
1 1 1 27 32 18 o 7.265000       1.545000      335.6941      145.6  
1 1 1 27 32 19 o 2.912000       1.492000      235.6682      -88.5  
1 1 1 27 32 20 o 2.521000       1.291000      172.3637      77.8   
1 1 1 27 32 21 o -1.136000      1.250000      36.86746      171.9  
1 1 1 27 32 22 o 2.104000       1.295000      144.4798      107.4  
1 1 1 27 32 23 o 2.961000       1.316000      154.7649      -52.6  
1 1 1 27 32 24 o 3.242000       1.288000      229.3670      -16.5  
1 1 1 27 32 25 o 1.352000       1.278000      194.0129      -29.0  
1 1 1 27 32 26 o 3.962000       1.315000      276.8992      -17.2  
1 1 1 27 32 27 o 1.995000       1.334000      170.6537      -165.1 
1 1 1 27 32 28 o 1.764000       1.310000      28.31265      -20.8  
1 1 1 27 32 29 o 3.815000       1.288000      343.8727      -89.3  
1 1 1 27 32 30 o -0.6825000     1.257000      114.2467      -144.8 
1 1 1 27 32 31 o 0.7177000      1.308000      135.2322      56.5   
1 1 1 27 32 32 o -0.7507000     1.075000      60.84691      112.7  
1 1 1 27 32 33 o 0.2841000      1.065000      79.38006      -45.7  
1 1 1 27 32 34 o 3.044000       1.144000      ?             ?      
1 1 1 27 32 35 o 0.8837000      1.158000      ?             ?      
1 1 1 27 32 36 o 2.095000       1.095000      ?             ?      
1 1 1 27 32 37 o 2.559000       1.196000      ?             ?      
1 1 1 27 32 38 o 1.625000       1.196000      ?             ?      
1 1 1 27 32 39 o 0.7457000      1.420000      ?             ?      
1 1 1 27 32 40 o 0.4673000      1.706000      ?             ?      
1 1 1 27 32 41 o 0.1497000      1.272000      ?             ?      
1 1 1 27 32 42 o 4.181000       1.280000      ?             ?      
1 1 1 27 32 43 o 1.120000       1.097000      ?             ?      
1 1 1 27 32 44 o 0.2967000E-01  1.084000      ?             ?      
1 1 1 27 32 45 o 1.397000       1.023000      ?             ?      
1 1 1 27 32 46 o 1.083000       1.058000      ?             ?      
1 1 1 27 32 47 o 0.3875000      1.128000      ?             ?      
1 1 1 27 32 48 o 0.5671000      1.101000      ?             ?      
1 1 1 27 32 49 o -0.2357000     1.247000      ?             ?      
1 1 1 27 32 50 o 2.973000       1.273000      ?             ?      
1 1 1 27 32 51 o -2.112000      1.352000      ?             ?      
1 1 1 27 32 52 o 0.5474000      1.292000      ?             ?      
1 1 1 27 32 53 o -0.1835000     1.406000      ?             ?      
1 1 1 27 32 54 o -0.9749000     1.442000      ?             ?      
1 1 1 27 32 55 o -0.1000000E-01 1.216000      ?             ?      
1 1 1 27 32 56 o 0.2829000      1.194000      ?             ?      
1 1 1 27 33 0  o 1.934000       1.126000      76.09602      -90.0  
1 1 1 27 33 1  o 2.211000       0.8136000     110.3650      -177.2 
1 1 1 27 33 2  o 0.8262000      0.8457000     281.8283      -79.6  
1 1 1 27 33 3  o 0.4370000      0.8719000     198.5141      89.7   
1 1 1 27 33 4  o 3.508000       0.9051000     364.4276      69.7   
1 1 1 27 33 5  o 11.66000       1.130000      434.5255      -176.3 
1 1 1 27 33 6  o 3.099000       1.040000      163.3628      162.7  
1 1 1 27 33 7  o 2.344000       1.040000      208.4467      76.5   
1 1 1 27 33 8  o 1.954000       1.080000      156.2174      -59.7  
1 1 1 27 33 9  o 6.356000       1.162000      358.2862      -70.1  
1 1 1 27 33 10 o -0.4722000     1.095000      106.0270      -106.3 
1 1 1 27 33 11 o -0.8424000     1.288000      87.53882      118.7  
1 1 1 27 33 12 o 7.414000       1.534000      361.1440      98.8   
1 1 1 27 33 13 o -0.1266000     1.504000      152.9437      -76.5  
1 1 1 27 33 14 o 2.417000       1.290000      141.6827      -177.2 
1 1 1 27 33 15 o 2.524000       1.175000      141.7974      97.5   
1 1 1 27 33 16 o -0.5925000     1.187000      102.0307      0.8    
1 1 1 27 33 17 o 7.173000       1.380000      246.3764      -59.3  
1 1 1 27 33 18 o 2.905000       1.556000      218.4978      -116.6 
1 1 1 27 33 19 o 2.210000       1.531000      245.6608      -112.4 
1 1 1 27 33 20 o -0.9198000     1.267000      27.96183      95.3   
1 1 1 27 33 21 o 1.759000       1.310000      168.0859      -136.1 
1 1 1 27 33 22 o 5.196000       1.373000      295.8873      -64.0  
1 1 1 27 33 23 f 9.910000       1.426000      452.1990      132.9  
1 1 1 27 33 24 o 2.260000       1.320000      292.1598      72.6   
1 1 1 27 33 25 o 5.221000       1.345000      270.0740      -79.1  
1 1 1 27 33 26 o 7.435000       1.381000      407.7312      -98.4  
1 1 1 27 33 27 o 3.417000       1.323000      216.7906      -72.9  
1 1 1 27 33 28 o 3.777000       1.332000      315.4764      -62.4  
1 1 1 27 33 29 o -1.473000      1.266000      36.74523      161.5  
1 1 1 27 33 30 o -0.3383000     1.264000      180.2844      37.9   
1 1 1 27 33 31 o 0.9099000      1.253000      75.28988      -21.1  
1 1 1 27 33 32 o -0.7939000E-01 1.258000      172.0045      80.2   
1 1 1 27 33 33 o -0.5636000     1.073000      ?             ?      
1 1 1 27 33 34 o 1.929000       1.066000      ?             ?      
1 1 1 27 33 35 o 0.2528000      1.091000      ?             ?      
1 1 1 27 33 36 o 2.485000       1.146000      ?             ?      
1 1 1 27 33 37 o -2.660000      1.330000      ?             ?      
1 1 1 27 33 38 o -0.2560000     1.174000      ?             ?      
1 1 1 27 33 39 o 0.5681000      1.141000      ?             ?      
1 1 1 27 33 40 o 0.6626000      1.035000      ?             ?      
1 1 1 27 33 41 o 0.4286000      1.240000      ?             ?      
1 1 1 27 33 42 o -0.9025000     1.254000      ?             ?      
1 1 1 27 33 43 o 1.104000       1.220000      ?             ?      
1 1 1 27 33 44 o -0.9622000E-01 1.068000      ?             ?      
1 1 1 27 33 45 o 0.6721000      1.095000      ?             ?      
1 1 1 27 33 46 o 0.3438000      1.182000      ?             ?      
1 1 1 27 33 47 o -0.2679000     1.185000      ?             ?      
1 1 1 27 33 48 o 1.580000       1.044000      ?             ?      
1 1 1 27 33 49 o -0.1610000     1.070000      ?             ?      
1 1 1 27 33 50 o 1.139000       1.159000      ?             ?      
1 1 1 27 33 51 o 1.345000       1.190000      ?             ?      
1 1 1 27 33 52 o 0.3139000      1.385000      ?             ?      
1 1 1 27 33 53 o 2.397000       1.491000      ?             ?      
1 1 1 27 33 54 o -0.6411000     1.646000      ?             ?      
1 1 1 27 33 55 o 1.846000       1.228000      ?             ?      
1 1 1 27 33 56 o -0.2559000     2.158000      ?             ?      
1 1 1 27 34 0  o -0.6518000     1.162000      27.08241      90.0   
1 1 1 27 34 1  o 0.9948000      0.8429000     300.2924      128.0  
1 1 1 27 34 2  o 4.103000       0.8767000     252.9290      166.3  
1 1 1 27 34 3  o 4.654000       0.9011000     274.5070      -22.0  
1 1 1 27 34 4  f 0.5024000      0.9034000     201.0193      -149.3 
1 1 1 27 34 5  o -1.434000      0.9244000     76.32642      170.8  
1 1 1 27 34 6  o 4.111000       1.059000      302.2964      -51.8  
1 1 1 27 34 7  o 0.8378000      1.113000      172.0416      70.6   
1 1 1 27 34 8  o 3.874000       1.119000      292.6820      -52.8  
1 1 1 27 34 9  o 2.209000       1.127000      181.5994      -12.8  
1 1 1 27 34 10 o 0.5526000E-01  1.151000      16.02395      -147.9 
1 1 1 27 34 11 o 0.7090000      1.514000      259.3706      167.9  
1 1 1 27 34 12 o 1.604000       1.510000      247.4284      -43.1  
1 1 1 27 34 13 o -0.7883000     1.519000      99.92848      -70.2  
1 1 1 27 34 14 o -0.3608000     1.288000      154.5844      5.3    
1 1 1 27 34 15 o 0.2349000      1.304000      112.5708      10.8   
1 1 1 27 34 16 o 5.802000       1.243000      253.9735      6.2    
1 1 1 27 34 17 o -0.9230000E-01 1.592000      67.49149      -88.7  
1 1 1 27 34 18 o 1.153000       1.564000      92.11172      -98.5  
1 1 1 27 34 19 o 2.894000       1.385000      129.5265      -95.4  
1 1 1 27 34 20 o 6.002000       1.384000      254.7216      31.5   
1 1 1 27 34 21 o 2.327000       1.353000      172.8481      46.1   
1 1 1 27 34 22 o 1.709000       1.348000      219.8656      -105.6 
1 1 1 27 34 23 o 0.4652000      1.347000      207.2580      -95.0  
1 1 1 27 34 24 o 0.8767000      1.329000      162.0140      -43.2  
1 1 1 27 34 25 o 0.7513000      1.316000      123.2269      25.4   
1 1 1 27 34 26 o 2.185000       1.335000      161.7781      71.6   
1 1 1 27 34 27 o 1.242000       1.292000      128.0233      109.0  
1 1 1 27 34 28 o 2.514000       1.312000      88.43783      -144.6 
1 1 1 27 34 29 o 1.500000       1.286000      96.71334      -127.3 
1 1 1 27 34 30 o 0.3492000      1.273000      134.4848      126.7  
1 1 1 27 34 31 o 0.4591000      1.279000      ?             ?      
1 1 1 27 34 32 o -0.9275000     1.243000      ?             ?      
1 1 1 27 34 33 o 0.2607000      1.231000      ?             ?      
1 1 1 27 34 34 o 0.9551000      1.424000      ?             ?      
1 1 1 27 34 35 o 4.366000       1.453000      ?             ?      
1 1 1 27 34 36 o -1.213000      1.590000      ?             ?      
1 1 1 27 34 37 o 2.257000       1.246000      ?             ?      
1 1 1 27 34 38 o 0.9634000      1.052000      ?             ?      
1 1 1 27 34 39 o -0.2867000     0.9988000     ?             ?      
1 1 1 27 34 40 o -0.1628000     1.040000      ?             ?      
1 1 1 27 34 41 o -1.381000      1.166000      ?             ?      
1 1 1 27 34 42 o 0.9513000      1.157000      ?             ?      
1 1 1 27 34 43 o -0.3443000E-01 1.232000      ?             ?      
1 1 1 27 34 44 o 3.183000       1.325000      ?             ?      
1 1 1 27 34 45 o 1.631000       1.145000      ?             ?      
1 1 1 27 34 46 o 2.108000       1.032000      ?             ?      
1 1 1 27 34 47 o -0.8066000E-01 1.017000      ?             ?      
1 1 1 27 34 48 o -0.3494000     1.034000      ?             ?      
1 1 1 27 34 49 o 1.366000       1.057000      ?             ?      
1 1 1 27 34 50 o 0.1770000      1.052000      ?             ?      
1 1 1 27 34 51 o -1.179000      1.178000      ?             ?      
1 1 1 27 34 52 o 0.4649000      1.555000      ?             ?      
1 1 1 27 34 53 o -0.8089000     1.900000      ?             ?      
1 1 1 27 34 54 o 1.476000       1.312000      ?             ?      
1 1 1 27 34 55 o -1.188000      1.180000      ?             ?      
1 1 1 27 35 0  o 3.158000       1.226000      273.5217      -90.0  
1 1 1 27 35 1  o 4.828000       1.117000      345.1827      -146.9 
1 1 1 27 35 2  o 0.4177000      0.8491000     130.9573      2.0    
1 1 1 27 35 3  o 2.015000       0.8568000     207.8872      99.6   
1 1 1 27 35 4  o 6.515000       0.9093000     455.5852      138.4  
1 1 1 27 35 5  o -0.4663000     0.8844000     19.96759      3.9    
1 1 1 27 35 6  o 1.239000       1.081000      139.4308      -7.8   
1 1 1 27 35 7  o 2.077000       1.131000      220.4919      65.5   
1 1 1 27 35 8  o 4.349000       1.154000      328.2542      -124.7 
1 1 1 27 35 9  o -0.5768000     1.148000      75.79856      -91.7  
1 1 1 27 35 10 o 1.029000       1.130000      215.4730      105.1  
1 1 1 27 35 11 o 4.532000       1.571000      350.4819      99.2   
1 1 1 27 35 12 o 1.127000       1.526000      88.23817      47.3   
1 1 1 27 35 13 o 3.383000       1.344000      336.4936      -36.0  
1 1 1 27 35 14 o 2.304000       1.330000      130.6643      149.3  
1 1 1 27 35 15 o 4.055000       1.371000      265.4993      59.5   
1 1 1 27 35 16 o 2.248000       1.391000      171.0387      -17.2  
1 1 1 27 35 17 o 0.5030000      1.639000      245.6367      -153.6 
1 1 1 27 35 18 o 0.1077000      1.642000      158.6676      -104.3 
1 1 1 27 35 19 o 2.097000       1.384000      206.8668      63.0   
1 1 1 27 35 20 o -2.150000      1.379000      115.6054      69.9   
1 1 1 27 35 21 o 2.183000       1.374000      259.4582      -112.6 
1 1 1 27 35 22 o 3.367000       1.377000      119.5890      -7.0   
1 1 1 27 35 23 o 0.7055000      1.364000      161.0066      173.1  
1 1 1 27 35 24 o 2.617000       1.362000      110.9634      -110.3 
1 1 1 27 35 25 o 0.4898000      1.345000      129.3027      -82.2  
1 1 1 27 35 26 o -0.2237000     1.306000      8.559579      154.9  
1 1 1 27 35 27 o 1.221000       1.307000      177.3837      -125.4 
1 1 1 27 35 28 o -0.5704000     1.299000      123.4260      -22.3  
1 1 1 27 35 29 o -0.8403000     1.295000      79.14719      -31.8  
1 1 1 27 35 30 f 2.754000       1.316000      ?             ?      
1 1 1 27 35 31 o 0.4920000      1.281000      ?             ?      
1 1 1 27 35 32 o -0.4592000     1.256000      ?             ?      
1 1 1 27 35 33 o -1.377000      1.263000      ?             ?      
1 1 1 27 35 34 o -1.203000      1.420000      ?             ?      
1 1 1 27 35 35 o -1.345000      1.386000      ?             ?      
1 1 1 27 35 36 o 3.596000       1.143000      ?             ?      
1 1 1 27 35 37 o 0.2461000      1.046000      ?             ?      
1 1 1 27 35 38 o 1.188000       1.042000      ?             ?      
1 1 1 27 35 39 o 0.5920000      0.9784000     ?             ?      
1 1 1 27 35 40 o 1.054000       0.9886000     ?             ?      
1 1 1 27 35 41 o 0.1478000      1.173000      ?             ?      
1 1 1 27 35 42 o 0.8615000      1.136000      ?             ?      
1 1 1 27 35 43 o -0.4315000     1.285000      ?             ?      
1 1 1 27 35 44 o 0.3602000      1.191000      ?             ?      
1 1 1 27 35 45 o 1.224000       1.117000      ?             ?      
1 1 1 27 35 46 o -0.1136000     1.021000      ?             ?      
1 1 1 27 35 47 o 2.562000       1.056000      ?             ?      
1 1 1 27 35 48 o -0.9815000     1.061000      ?             ?      
1 1 1 27 35 49 o -0.2085000     1.054000      ?             ?      
1 1 1 27 35 50 o 1.111000       1.085000      ?             ?      
1 1 1 27 35 51 o -0.4023000     1.131000      ?             ?      
1 1 1 27 35 52 o 0.1119000      1.507000      ?             ?      
1 1 1 27 35 53 o 2.205000       1.360000      ?             ?      
1 1 1 27 35 54 o -0.8654000     1.319000      ?             ?      
1 1 1 27 36 0  o 3.457000       1.241000      248.1856      90.0   
1 1 1 27 36 1  o 0.7551000E-01  0.8646000     151.4673      118.2  
1 1 1 27 36 2  o 1.915000       0.8563000     212.7348      -105.8 
1 1 1 27 36 3  o 0.8407000      0.8450000     95.90056      111.1  
1 1 1 27 36 4  o 0.8958000E-01  0.8719000     137.3256      -78.4  
1 1 1 27 36 5  o 2.458000       0.9105000     207.9681      -103.4 
1 1 1 27 36 6  o 4.105000       1.127000      364.8293      92.2   
1 1 1 27 36 7  o 0.9315000      1.139000      184.6729      25.5   
1 1 1 27 36 8  o 3.420000       1.179000      355.5305      -90.0  
1 1 1 27 36 9  o 1.434000       1.347000      201.2155      -125.4 
1 1 1 27 36 10 o 0.4243000      1.538000      179.7948      170.0  
1 1 1 27 36 11 o 1.318000       1.603000      59.37891      163.0  
1 1 1 27 36 12 o 2.262000       1.348000      74.44026      43.4   
1 1 1 27 36 13 o 0.5280000      1.340000      204.9043      68.1   
1 1 1 27 36 14 o 1.233000       1.332000      61.62907      171.4  
1 1 1 27 36 15 o 1.618000       1.373000      187.2681      -84.1  
1 1 1 27 36 16 o 0.8180000      1.665000      126.8442      -175.3 
1 1 1 27 36 17 o 0.3659000      2.339000      127.7042      -57.5  
1 1 1 27 36 18 o 1.249000       1.649000      137.6484      -151.6 
1 1 1 27 36 19 o 1.092000       1.406000      107.4877      28.5   
1 1 1 27 36 20 o 1.086000       1.407000      301.2437      57.5   
1 1 1 27 36 21 o -1.198000      1.369000      56.61883      -144.4 
1 1 1 27 36 22 o 3.047000       1.384000      267.9221      -95.4  
1 1 1 27 36 23 o -0.9764000     1.365000      41.04973      22.4   
1 1 1 27 36 24 o 2.055000       1.379000      135.4251      100.0  
1 1 1 27 36 25 o 3.301000       1.372000      109.3826      99.5   
1 1 1 27 36 26 o 2.082000       1.359000      112.7861      90.4   
1 1 1 27 36 27 o 2.378000       1.318000      87.48901      105.9  
1 1 1 27 36 28 o -1.582000      1.285000      ?             ?      
1 1 1 27 36 29 o 1.878000       1.303000      ?             ?      
1 1 1 27 36 30 o -2.617000      1.288000      ?             ?      
1 1 1 27 36 31 o -0.8959000     1.314000      ?             ?      
1 1 1 27 36 32 o 0.5586000      1.326000      ?             ?      
1 1 1 27 36 33 o -2.229000      1.409000      ?             ?      
1 1 1 27 36 34 o 0.1290000      1.411000      ?             ?      
1 1 1 27 36 35 o 0.5058000E-01  1.243000      ?             ?      
1 1 1 27 36 36 o 0.8665000E-01  1.406000      ?             ?      
1 1 1 27 36 37 o -1.845000      1.020000      ?             ?      
1 1 1 27 36 38 o -1.483000      1.046000      ?             ?      
1 1 1 27 36 39 o -1.422000      1.062000      ?             ?      
1 1 1 27 36 40 o 1.609000       1.079000      ?             ?      
1 1 1 27 36 41 o -1.757000      0.9794000     ?             ?      
1 1 1 27 36 42 o 0.1604000E-01  1.100000      ?             ?      
1 1 1 27 36 43 o 0.7210000      1.125000      ?             ?      
1 1 1 27 36 44 o -0.9423000     1.207000      ?             ?      
1 1 1 27 36 45 o 1.411000       1.113000      ?             ?      
1 1 1 27 36 46 o 1.423000       1.213000      ?             ?      
1 1 1 27 36 47 o -1.999000      1.077000      ?             ?      
1 1 1 27 36 48 o 1.339000       1.082000      ?             ?      
1 1 1 27 36 49 o 1.487000       1.065000      ?             ?      
1 1 1 27 36 50 o 0.6586000      1.123000      ?             ?      
1 1 1 27 36 51 o 0.9480000      1.295000      ?             ?      
1 1 1 27 36 52 o 1.379000       1.549000      ?             ?      
1 1 1 27 36 53 o 1.975000       1.285000      ?             ?      
1 1 1 27 37 0  o 0.5241000      1.252000      190.1292      -90.0  
1 1 1 27 37 1  o -0.3537000     0.8758000     105.7857      156.5  
1 1 1 27 37 2  o -0.2260000     0.8640000     124.8268      39.7   
1 1 1 27 37 3  o -1.279000      0.8575000     70.40709      -30.5  
1 1 1 27 37 4  o 0.1568000      0.8982000     118.5282      -157.3 
1 1 1 27 37 5  o 0.6352000      0.9302000     103.6161      -56.0  
1 1 1 27 37 6  o -0.7158000     1.145000      184.6027      -43.9  
1 1 1 27 37 7  o 2.822000       1.170000      257.0528      168.8  
1 1 1 27 37 8  o 1.453000       1.185000      96.19836      -129.6 
1 1 1 27 37 9  o 2.660000       1.494000      101.1154      -40.6  
1 1 1 27 37 10 o 2.739000       1.551000      230.3467      45.4   
1 1 1 27 37 11 o 0.7130000      1.593000      66.64148      113.9  
1 1 1 27 37 12 o 1.492000       1.364000      134.5140      -4.3   
1 1 1 27 37 13 o 1.905000       1.359000      214.9300      -108.2 
1 1 1 27 37 14 o 0.3537000      1.386000      137.5474      83.3   
1 1 1 27 37 15 o 1.984000       1.404000      136.8441      -92.6  
1 1 1 27 37 16 o -0.9962000     1.689000      65.01133      -3.4   
1 1 1 27 37 17 o -0.1337000     2.334000      202.8101      -108.6 
1 1 1 27 37 18 o -1.145000      1.685000      78.95373      41.7   
1 1 1 27 37 19 o 2.343000       1.382000      86.65425      80.5   
1 1 1 27 37 20 o 0.9446000      1.388000      210.5151      -60.7  
1 1 1 27 37 21 o 1.179000       1.364000      182.0506      -131.8 
1 1 1 27 37 22 o 0.7961000      1.367000      46.49634      135.2  
1 1 1 27 37 23 o 0.7334000      1.370000      162.8797      -145.6 
1 1 1 27 37 24 o 1.061000       1.391000      108.3063      -53.4  
1 1 1 27 37 25 o 4.751000       1.392000      270.9337      -134.1 
1 1 1 27 37 26 o -0.6045000     1.360000      ?             ?      
1 1 1 27 37 27 o 2.553000       1.351000      ?             ?      
1 1 1 27 37 28 o 3.319000       1.320000      ?             ?      
1 1 1 27 37 29 o 1.666000       1.361000      ?             ?      
1 1 1 27 37 30 o 0.7247000E-02  1.286000      ?             ?      
1 1 1 27 37 31 o 1.139000       1.272000      ?             ?      
1 1 1 27 37 32 o 2.522000       1.452000      ?             ?      
1 1 1 27 37 33 o 0.7882000      1.435000      ?             ?      
1 1 1 27 37 34 o -1.974000      1.234000      ?             ?      
1 1 1 27 37 35 o -0.9406000     1.295000      ?             ?      
1 1 1 27 37 36 o 1.348000       1.364000      ?             ?      
1 1 1 27 37 37 o -1.218000      2.138000      ?             ?      
1 1 1 27 37 38 o 1.891000       1.077000      ?             ?      
1 1 1 27 37 39 o 0.2054000      0.9680000     ?             ?      
1 1 1 27 37 40 o 1.007000       0.9766000     ?             ?      
1 1 1 27 37 41 o 0.9920000      0.9834000     ?             ?      
1 1 1 27 37 42 o -0.7292000     1.079000      ?             ?      
1 1 1 27 37 43 o -0.9545000     1.088000      ?             ?      
1 1 1 27 37 44 o 1.132000       1.172000      ?             ?      
1 1 1 27 37 45 o -1.123000      1.101000      ?             ?      
1 1 1 27 37 46 f 0.5467000      1.099000      ?             ?      
1 1 1 27 37 47 o 0.9304000      1.036000      ?             ?      
1 1 1 27 37 48 o -0.8000000     1.033000      ?             ?      
1 1 1 27 37 49 o -0.9406000     1.461000      ?             ?      
1 1 1 27 37 50 o 0.9813000      1.569000      ?             ?      
1 1 1 27 37 51 o 1.530000       1.259000      ?             ?      
1 1 1 27 37 52 o 0.3556000      1.180000      ?             ?      
1 1 1 27 38 0  o -1.808000      1.241000      67.02296      90.0   
1 1 1 27 38 1  o -1.323000      0.8852000     42.89014      45.7   
1 1 1 27 38 2  o 1.181000       0.8968000     137.4552      2.3    
1 1 1 27 38 3  o 0.3570000      0.9032000     44.14401      178.0  
1 1 1 27 38 4  o 2.121000       0.9279000     144.6377      -57.6  
1 1 1 27 38 5  o 1.753000       0.9511000     121.7437      174.5  
1 1 1 27 38 6  o -0.9691000     1.141000      49.48347      158.7  
1 1 1 27 38 7  o -0.6651000     1.166000      38.93141      170.2  
1 1 1 27 38 8  o 2.828000       1.505000      267.0475      -96.6  
1 1 1 27 38 9  o -1.965000      1.510000      34.59304      115.6  
1 1 1 27 38 10 o -2.640000      1.535000      16.97700      -119.1 
1 1 1 27 38 11 o -0.7687000     1.264000      90.19411      161.1  
1 1 1 27 38 12 o 1.001000       1.369000      104.4383      8.4    
1 1 1 27 38 13 o 0.2181000      1.373000      115.8201      148.7  
1 1 1 27 38 14 o 1.067000       1.426000      250.5498      -106.6 
1 1 1 27 38 15 o 0.5991000E-01  1.706000      83.01125      -70.8  
1 1 1 27 38 16 o 0.6279000      1.687000      90.04274      76.4   
1 1 1 27 38 17 o -0.4117000     2.297000      57.08414      -147.3 
1 1 1 27 38 18 o 1.691000       1.626000      73.36159      62.3   
1 1 1 27 38 19 o 1.359000       1.604000      109.9296      30.2   
1 1 1 27 38 20 o -1.079000      1.365000      106.8158      -155.6 
1 1 1 27 38 21 o 0.4772000      1.379000      104.6491      -134.8 
1 1 1 27 38 22 o -0.5456000     1.367000      79.35267      131.8  
1 1 1 27 38 23 o 1.385000       1.370000      161.8535      67.0   
1 1 1 27 38 24 o 0.6141000      1.363000      ?             ?      
1 1 1 27 38 25 o -2.029000      1.342000      ?             ?      
1 1 1 27 38 26 o 0.8348000      1.376000      ?             ?      
1 1 1 27 38 27 o -2.145000      1.384000      ?             ?      
1 1 1 27 38 28 o -0.5818000     1.307000      ?             ?      
1 1 1 27 38 29 o -1.517000      1.275000      ?             ?      
1 1 1 27 38 30 o 0.2630000E-01  1.247000      ?             ?      
1 1 1 27 38 31 o -0.2810000     1.242000      ?             ?      
1 1 1 27 38 32 o -0.8431000E-01 1.459000      ?             ?      
1 1 1 27 38 33 o 0.2410000      1.474000      ?             ?      
1 1 1 27 38 34 o -1.811000      1.294000      ?             ?      
1 1 1 27 38 35 o -2.131000      2.205000      ?             ?      
1 1 1 27 38 36 o -1.100000      1.350000      ?             ?      
1 1 1 27 38 37 o -0.5396000     1.174000      ?             ?      
1 1 1 27 38 38 o 1.544000       1.188000      ?             ?      
1 1 1 27 38 39 o -0.2697000     0.9926000     ?             ?      
1 1 1 27 38 40 o -0.3372000     0.9705000     ?             ?      
1 1 1 27 38 41 o 0.3538000      0.9679000     ?             ?      
1 1 1 27 38 42 o -0.4956000     0.9847000     ?             ?      
1 1 1 27 38 43 o -0.4880000     1.087000      ?             ?      
1 1 1 27 38 44 o 0.4322000      1.116000      ?             ?      
1 1 1 27 38 45 o 0.6482000E-01  1.191000      ?             ?      
1 1 1 27 38 46 o 0.8994000      1.089000      ?             ?      
1 1 1 27 38 47 o -2.222000      1.089000      ?             ?      
1 1 1 27 38 48 o 0.8869000      1.049000      ?             ?      
1 1 1 27 38 49 o -1.255000      1.573000      ?             ?      
1 1 1 27 38 50 o 1.562000       1.258000      ?             ?      
1 1 1 27 38 51 o -1.530000      1.411000      ?             ?      
1 1 1 27 39 0  o 0.9402000      1.273000      38.92734      -90.0  
1 1 1 27 39 1  o 1.442000       0.9116000     84.43149      -90.7  
1 1 1 27 39 2  o 1.328000       0.9348000     84.27792      -27.8  
1 1 1 27 39 3  o 3.286000       0.9599000     140.4161      -142.4 
1 1 1 27 39 4  o 0.8120000      0.9622000     65.87349      -94.4  
1 1 1 27 39 5  o 0.2296000      0.9556000     165.4974      -24.8  
1 1 1 27 39 6  o 0.8566000      1.208000      117.9095      -62.6  
1 1 1 27 39 7  o 1.503000       1.471000      190.1901      136.8  
1 1 1 27 39 8  o 0.9829000      1.507000      112.0072      -25.3  
1 1 1 27 39 9  o 1.436000       1.582000      206.4636      -33.1  
1 1 1 27 39 10 o 0.8631000      1.284000      132.9284      0.3    
1 1 1 27 39 11 o 1.164000       1.263000      103.7869      33.7   
1 1 1 27 39 12 o 2.800000       1.368000      162.7274      -109.6 
1 1 1 27 39 13 o 1.258000       1.400000      115.4970      -52.9  
1 1 1 27 39 14 o -0.8122000     1.410000      129.1449      -161.9 
1 1 1 27 39 15 o 2.493000       1.704000      68.50739      -85.3  
1 1 1 27 39 16 o -1.172000      1.690000      106.7210      51.6   
1 1 1 27 39 17 o -0.1617000     1.647000      45.33447      -119.7 
1 1 1 27 39 18 o 0.4142000      1.606000      110.6354      -33.0  
1 1 1 27 39 19 o -1.183000      1.618000      47.50767      -148.3 
1 1 1 27 39 20 o 2.688000       1.632000      104.6520      -88.5  
1 1 1 27 39 21 o 3.374000       1.373000      150.6434      -170.1 
1 1 1 27 39 22 o -0.6465000     1.362000      ?             ?      
1 1 1 27 39 23 o -3.401000      1.347000      ?             ?      
1 1 1 27 39 24 o 1.266000       1.403000      ?             ?      
1 1 1 27 39 25 o 0.6570000      1.379000      ?             ?      
1 1 1 27 39 26 o -2.831000      1.303000      ?             ?      
1 1 1 27 39 27 o 1.158000       1.308000      ?             ?      
1 1 1 27 39 28 o -0.5707000     1.281000      ?             ?      
1 1 1 27 39 29 o -1.125000      1.271000      ?             ?      
1 1 1 27 39 30 o 0.3065000      1.299000      ?             ?      
1 1 1 27 39 31 o -2.256000      1.502000      ?             ?      
1 1 1 27 39 32 o -0.3834000     2.221000      ?             ?      
1 1 1 27 39 33 o -3.220000      1.564000      ?             ?      
1 1 1 27 39 34 o 0.9336000      1.255000      ?             ?      
1 1 1 27 39 35 o -2.378000      1.369000      ?             ?      
1 1 1 27 39 36 o -0.3846000     1.371000      ?             ?      
1 1 1 27 39 37 o -0.1027000     1.180000      ?             ?      
1 1 1 27 39 38 o 1.498000       1.183000      ?             ?      
1 1 1 27 39 39 o 0.1427000      1.168000      ?             ?      
1 1 1 27 39 40 o -0.4522000     1.215000      ?             ?      
1 1 1 27 39 41 o -1.791000      0.9573000     ?             ?      
1 1 1 27 39 42 o 0.3286000      0.9835000     ?             ?      
1 1 1 27 39 43 o -0.3842000E-01 1.086000      ?             ?      
1 1 1 27 39 44 o 0.2854000      1.105000      ?             ?      
1 1 1 27 39 45 o -1.689000      1.714000      ?             ?      
1 1 1 27 39 46 o -0.4700000     1.073000      ?             ?      
1 1 1 27 39 47 o -0.7816000     1.081000      ?             ?      
1 1 1 27 39 48 o -2.806000      1.546000      ?             ?      
1 1 1 27 39 49 o -2.995000      1.108000      ?             ?      
1 1 1 27 39 50 o 1.179000       1.388000      ?             ?      
1 1 1 27 40 0  o 0.9465000      1.296000      14.68557      -90.0  
1 1 1 27 40 1  o 1.314000       0.9235000     14.16169      169.3  
1 1 1 27 40 2  o 0.5860000      0.9375000     93.83150      -53.2  
1 1 1 27 40 3  o 1.700000       0.9580000     61.97760      157.8  
1 1 1 27 40 4  o 1.918000       0.9842000     86.62212      -19.0  
1 1 1 27 40 5  o 0.5583000      0.9845000     97.20570      108.8  
1 1 1 27 40 6  o -0.1784000     1.241000      67.47328      145.2  
1 1 1 27 40 7  o -0.7510000     1.476000      46.02272      16.7   
1 1 1 27 40 8  o 2.684000       1.573000      128.4368      -63.3  
1 1 1 27 40 9  o 0.2595000      1.581000      86.30969      2.0    
1 1 1 27 40 10 o 1.211000       1.249000      71.83379      119.5  
1 1 1 27 40 11 o 1.166000       1.252000      45.99250      -73.9  
1 1 1 27 40 12 o 0.6683000      1.344000      85.82883      82.1   
1 1 1 27 40 13 o 0.5067000      1.388000      113.1064      -88.8  
1 1 1 27 40 14 o -0.2310000     1.444000      142.7445      -86.3  
1 1 1 27 40 15 o 1.720000       1.668000      15.76554      -42.3  
1 1 1 27 40 16 o -1.241000      1.680000      26.52135      133.9  
1 1 1 27 40 17 o -1.225000      1.593000      75.39410      -78.1  
1 1 1 27 40 18 o 0.5398000E-01  1.593000      82.75349      77.0   
1 1 1 27 40 19 o -1.110000      1.598000      ?             ?      
1 1 1 27 40 20 o -3.825000      1.625000      ?             ?      
1 1 1 27 40 21 o -0.9944000     1.634000      ?             ?      
1 1 1 27 40 22 o 1.002000       1.405000      ?             ?      
1 1 1 27 40 23 o 0.5082000      1.363000      ?             ?      
1 1 1 27 40 24 o 0.4600000      1.347000      ?             ?      
1 1 1 27 40 25 o -2.181000      1.355000      ?             ?      
1 1 1 27 40 26 o 0.3788000      1.335000      ?             ?      
1 1 1 27 40 27 o -1.061000      1.319000      ?             ?      
1 1 1 27 40 28 o -2.931000      1.302000      ?             ?      
1 1 1 27 40 29 o -2.107000      1.323000      ?             ?      
1 1 1 27 40 30 o -0.1898000     2.148000      ?             ?      
1 1 1 27 40 31 o -0.1030000     1.485000      ?             ?      
1 1 1 27 40 32 o -1.326000      1.243000      ?             ?      
1 1 1 27 40 33 o -0.7064000     1.255000      ?             ?      
1 1 1 27 40 34 o -0.4436000     1.401000      ?             ?      
1 1 1 27 40 35 o 0.6628000      1.382000      ?             ?      
1 1 1 27 40 36 o 0.6524000E-01  1.211000      ?             ?      
1 1 1 27 40 37 o -1.129000      1.222000      ?             ?      
1 1 1 27 40 38 o -0.1707000     1.211000      ?             ?      
1 1 1 27 40 39 o 0.5172000      1.179000      ?             ?      
1 1 1 27 40 40 o 0.5066000      1.180000      ?             ?      
1 1 1 27 40 41 o -1.097000      1.243000      ?             ?      
1 1 1 27 40 42 o -2.808000      1.058000      ?             ?      
1 1 1 27 40 43 o -1.737000      1.074000      ?             ?      
1 1 1 27 40 44 o 0.5498000      1.076000      ?             ?      
1 1 1 27 40 45 o -0.5325000E-01 1.172000      ?             ?      
1 1 1 27 40 46 o -0.5135000     1.165000      ?             ?      
1 1 1 27 40 47 o 0.4888000      1.089000      ?             ?      
1 1 1 27 40 48 o -0.2393000     1.148000      ?             ?      
1 1 1 27 40 49 o 0.3627000      1.266000      ?             ?      
1 1 1 27 41 0  o 1.668000       1.313000      173.7056      -90.0  
1 1 1 27 41 1  o -0.2532000     1.054000      4.244032      -149.6 
1 1 1 27 41 2  o -0.3985000     0.9235000     55.54333      178.9  
1 1 1 27 41 3  o 0.2076000      0.9419000     88.18021      123.7  
1 1 1 27 41 4  o 1.204000       0.9687000     92.73209      -114.2 
1 1 1 27 41 5  o -1.780000      0.9826000     42.87608      0.1    
1 1 1 27 41 6  o -0.9357000     1.497000      85.92862      -176.6 
1 1 1 27 41 7  o 2.587000       1.542000      91.78381      34.4   
1 1 1 27 41 8  o 0.1962000      1.593000      98.81618      -11.5  
1 1 1 27 41 9  o 1.350000       1.258000      65.94736      -85.2  
1 1 1 27 41 10 o 0.3605000E-01  1.249000      87.49556      38.6   
1 1 1 27 41 11 o 2.518000       1.276000      73.89735      107.8  
1 1 1 27 41 12 o 2.383000       1.373000      93.54422      -57.8  
1 1 1 27 41 13 o -0.6009000     1.401000      48.80401      -114.2 
1 1 1 27 41 14 o 0.6488000      2.315000      51.92619      -151.6 
1 1 1 27 41 15 o 1.455000       2.226000      98.61367      48.5   
1 1 1 27 41 16 o -0.7850000E-01 1.400000      ?             ?      
1 1 1 27 41 17 o 1.850000       1.610000      ?             ?      
1 1 1 27 41 18 o 0.2745000      1.627000      ?             ?      
1 1 1 27 41 19 o -0.5882000     1.641000      ?             ?      
1 1 1 27 41 20 o -1.040000      1.633000      ?             ?      
1 1 1 27 41 21 o 1.060000       1.594000      ?             ?      
1 1 1 27 41 22 o -1.530000      1.595000      ?             ?      
1 1 1 27 41 23 o -1.883000      1.347000      ?             ?      
1 1 1 27 41 24 f 0.6897000      1.350000      ?             ?      
1 1 1 27 41 25 o -0.6291000     1.376000      ?             ?      
1 1 1 27 41 26 o -0.8666000     1.438000      ?             ?      
1 1 1 27 41 27 o -2.356000      1.573000      ?             ?      
1 1 1 27 41 28 o -0.1073000     1.542000      ?             ?      
1 1 1 27 41 29 o -0.8175000     1.298000      ?             ?      
1 1 1 27 41 30 o 2.484000       1.496000      ?             ?      
1 1 1 27 41 31 o 0.3354000      1.507000      ?             ?      
1 1 1 27 41 32 o -0.8523000     1.274000      ?             ?      
1 1 1 27 41 33 o -0.3510000     1.243000      ?             ?      
1 1 1 27 41 34 o 2.180000       1.407000      ?             ?      
1 1 1 27 41 35 o 0.6893000      1.383000      ?             ?      
1 1 1 27 41 36 o 0.2733000      1.216000      ?             ?      
1 1 1 27 41 37 o -1.300000      1.215000      ?             ?      
1 1 1 27 41 38 o -0.8633000E-01 1.210000      ?             ?      
1 1 1 27 41 39 o -2.039000      1.230000      ?             ?      
1 1 1 27 41 40 o 4.553000       1.624000      ?             ?      
1 1 1 27 41 41 o 0.1172000      1.196000      ?             ?      
1 1 1 27 41 42 o -0.8841000     1.183000      ?             ?      
1 1 1 27 41 43 o 0.9172000E-01  1.265000      ?             ?      
1 1 1 27 41 44 o 0.1122000      1.068000      ?             ?      
1 1 1 27 41 45 o -1.877000      1.087000      ?             ?      
1 1 1 27 41 46 o -1.024000      1.175000      ?             ?      
1 1 1 27 41 47 o -1.354000      1.135000      ?             ?      
1 1 1 27 41 48 o 0.6345000      1.578000      ?             ?      
1 1 1 27 42 0  o 2.441000       1.316000      8.903877      -90.0  
1 1 1 27 42 1  o 0.9482000      0.9335000     35.08607      36.6   
1 1 1 27 42 2  o 1.398000       0.9297000     42.93920      -157.3 
1 1 1 27 42 3  o 1.060000       0.9179000     31.30022      64.2   
1 1 1 27 42 4  o 0.7703000E-02  0.9414000     55.42090      108.4  
1 1 1 27 42 5  o -0.1913000     1.017000      62.41431      -86.3  
1 1 1 27 42 6  o 0.2926000      1.484000      17.49878      -84.7  
1 1 1 27 42 7  o 1.456000       1.559000      18.87791      -75.2  
1 1 1 27 42 8  o -0.6389000     1.265000      17.19620      113.9  
1 1 1 27 42 9  o -0.1218000     1.225000      39.46439      -16.9  
1 1 1 27 42 10 o 0.6963000      1.208000      50.49836      -169.2 
1 1 1 27 42 11 o -0.7242000     1.217000      30.14996      173.5  
1 1 1 27 42 12 o 2.150000       1.651000      ?             ?      
1 1 1 27 42 13 o -0.3991000     1.418000      ?             ?      
1 1 1 27 42 14 o -1.929000      1.672000      ?             ?      
1 1 1 27 42 15 o 0.8784000      1.671000      ?             ?      
1 1 1 27 42 16 o 0.2506000      1.414000      ?             ?      
1 1 1 27 42 17 o -1.550000      1.631000      ?             ?      
1 1 1 27 42 18 o -1.112000      1.615000      ?             ?      
1 1 1 27 42 19 o -3.650000      1.577000      ?             ?      
1 1 1 27 42 20 o -0.4990000     1.571000      ?             ?      
1 1 1 27 42 21 o 1.963000       1.574000      ?             ?      
1 1 1 27 42 22 o -1.726000      1.597000      ?             ?      
1 1 1 27 42 23 o 0.3720000E-01  1.607000      ?             ?      
1 1 1 27 42 24 o -0.9956000     1.604000      ?             ?      
1 1 1 27 42 25 o 0.1270000      1.526000      ?             ?      
1 1 1 27 42 26 o 0.2421000      1.304000      ?             ?      
1 1 1 27 42 27 o 2.171000       1.302000      ?             ?      
1 1 1 27 42 28 o 0.2766000      1.293000      ?             ?      
1 1 1 27 42 29 o -0.6808000     1.535000      ?             ?      
1 1 1 27 42 30 o -0.3022000     1.552000      ?             ?      
1 1 1 27 42 31 o -3.046000      1.311000      ?             ?      
1 1 1 27 42 32 o -1.053000      1.319000      ?             ?      
1 1 1 27 42 33 o -1.072000      1.474000      ?             ?      
1 1 1 27 42 34 o -0.6645000     1.437000      ?             ?      
1 1 1 27 42 35 o -1.036000      1.238000      ?             ?      
1 1 1 27 42 36 o 0.3946000      1.215000      ?             ?      
1 1 1 27 42 37 o 0.1309000      1.213000      ?             ?      
1 1 1 27 42 38 o -1.025000      1.223000      ?             ?      
1 1 1 27 42 39 o -0.7829000     1.243000      ?             ?      
1 1 1 27 42 40 o 1.223000       1.257000      ?             ?      
1 1 1 27 42 41 o 1.255000       1.265000      ?             ?      
1 1 1 27 42 42 o -0.2517000     1.191000      ?             ?      
1 1 1 27 42 43 o 0.9864000      1.207000      ?             ?      
1 1 1 27 42 44 o 0.1008000      1.683000      ?             ?      
1 1 1 27 42 45 o 0.5251000E-01  1.097000      ?             ?      
1 1 1 27 42 46 o -0.2732000     1.222000      ?             ?      
1 1 1 27 42 47 o -1.245000      1.347000      ?             ?      
1 1 1 27 43 0  o 2.205000       1.295000      34.82475      90.0   
1 1 1 27 43 1  o 0.5119000      0.9303000     17.25306      -95.3  
1 1 1 27 43 2  o 0.3819000      0.9198000     39.28899      52.3   
1 1 1 27 43 3  o 1.222000       0.9200000     34.42994      -73.9  
1 1 1 27 43 4  o -0.5899000     0.9363000     22.45084      -53.6  
1 1 1 27 43 5  o -0.8396000E-01 0.9942000     ?             ?      
1 1 1 27 43 6  o 1.464000       1.512000      ?             ?      
1 1 1 27 43 7  o -0.2322000     1.499000      ?             ?      
1 1 1 27 43 8  o 1.139000       1.235000      ?             ?      
1 1 1 27 43 9  o -1.008000      1.344000      ?             ?      
1 1 1 27 43 10 o 0.5179000E-01  1.371000      ?             ?      
1 1 1 27 43 11 o -0.7229000     1.218000      ?             ?      
1 1 1 27 43 12 o 0.8571000      1.365000      ?             ?      
1 1 1 27 43 13 o -1.543000      1.636000      ?             ?      
1 1 1 27 43 14 o 2.091000       1.713000      ?             ?      
1 1 1 27 43 15 o -0.7089000     1.369000      ?             ?      
1 1 1 27 43 16 o -0.1970000     1.323000      ?             ?      
1 1 1 27 43 17 o 0.2133000      1.597000      ?             ?      
1 1 1 27 43 18 o 0.5829000      1.622000      ?             ?      
1 1 1 27 43 19 o -1.548000      1.552000      ?             ?      
1 1 1 27 43 20 o 1.467000       1.573000      ?             ?      
1 1 1 27 43 21 o -0.7283000     1.556000      ?             ?      
1 1 1 27 43 22 o 0.7908000      1.564000      ?             ?      
1 1 1 27 43 23 o -0.2903000     1.514000      ?             ?      
1 1 1 27 43 24 o 0.6827000      1.531000      ?             ?      
1 1 1 27 43 25 o -1.078000      1.520000      ?             ?      
1 1 1 27 43 26 o -0.6577000E-01 1.301000      ?             ?      
1 1 1 27 43 27 o -1.162000      1.290000      ?             ?      
1 1 1 27 43 28 o 2.108000       1.341000      ?             ?      
1 1 1 27 43 29 o -0.1875000E-01 1.552000      ?             ?      
1 1 1 27 43 30 o 0.5009000      1.354000      ?             ?      
1 1 1 27 43 31 o 1.387000       1.334000      ?             ?      
1 1 1 27 43 32 o 0.2689000      1.323000      ?             ?      
1 1 1 27 43 33 o -0.7601000     1.518000      ?             ?      
1 1 1 27 43 34 o -1.761000      1.490000      ?             ?      
1 1 1 27 43 35 o -1.144000      1.264000      ?             ?      
1 1 1 27 43 36 o -0.2397000     1.234000      ?             ?      
1 1 1 27 43 37 o -0.6249000     1.239000      ?             ?      
1 1 1 27 43 38 o 1.894000       1.239000      ?             ?      
1 1 1 27 43 39 o 0.1966000      1.229000      ?             ?      
1 1 1 27 43 40 o 2.043000       1.241000      ?             ?      
1 1 1 27 43 41 o -0.1611000     1.239000      ?             ?      
1 1 1 27 43 42 o -1.623000      1.237000      ?             ?      
1 1 1 27 43 43 o -2.590000      1.210000      ?             ?      
1 1 1 27 43 44 o -2.323000      1.232000      ?             ?      
1 1 1 27 43 45 o -0.5385000     1.657000      ?             ?      
1 1 1 27 43 46 o 0.8936000      2.483000      ?             ?      
1 1 1 27 44 0  o -0.2272000     1.256000      ?             ?      
1 1 1 27 44 1  o 0.9664000      0.9075000     ?             ?      
1 1 1 27 44 2  o 0.4067000      0.9033000     ?             ?      
1 1 1 27 44 3  o 1.245000       0.9238000     ?             ?      
1 1 1 27 44 4  o -1.332000      0.9620000     ?             ?      
1 1 1 27 44 5  o -0.3462000E-02 0.9866000     ?             ?      
1 1 1 27 44 6  o -3.060000      2.069000      ?             ?      
1 1 1 27 44 7  o 2.023000       1.363000      ?             ?      
1 1 1 27 44 8  o -1.349000      1.232000      ?             ?      
1 1 1 27 44 9  o 0.3207000      1.199000      ?             ?      
1 1 1 27 44 10 o -0.6144000E-01 1.196000      ?             ?      
1 1 1 27 44 11 o 1.266000       1.343000      ?             ?      
1 1 1 27 44 12 o -0.1767000     1.380000      ?             ?      
1 1 1 27 44 13 o -2.823000      1.591000      ?             ?      
1 1 1 27 44 14 o 2.941000       1.628000      ?             ?      
1 1 1 27 44 15 o 0.2293000E-01  1.312000      ?             ?      
1 1 1 27 44 16 o -0.4759000     1.315000      ?             ?      
1 1 1 27 44 17 o 0.3521000      1.566000      ?             ?      
1 1 1 27 44 18 o -0.9607000     1.610000      ?             ?      
1 1 1 27 44 19 o -0.2510000E-01 1.538000      ?             ?      
1 1 1 27 44 20 o 1.125000       1.497000      ?             ?      
1 1 1 27 44 21 o 1.393000       1.530000      ?             ?      
1 1 1 27 44 22 o 0.3651000      1.514000      ?             ?      
1 1 1 27 44 23 o 0.1887000      1.522000      ?             ?      
1 1 1 27 44 24 o 1.255000       1.547000      ?             ?      
1 1 1 27 44 25 o 0.8956000      1.538000      ?             ?      
1 1 1 27 44 26 o 1.198000       1.538000      ?             ?      
1 1 1 27 44 27 o -0.9409000     1.298000      ?             ?      
1 1 1 27 44 28 o -0.4920000E-01 1.594000      ?             ?      
1 1 1 27 44 29 o -0.1714000E-01 1.583000      ?             ?      
1 1 1 27 44 30 o 1.458000       1.366000      ?             ?      
1 1 1 27 44 31 o 0.3802000      1.333000      ?             ?      
1 1 1 27 44 32 o -0.2489000     1.558000      ?             ?      
1 1 1 27 44 33 o 3.437000       1.588000      ?             ?      
1 1 1 27 44 34 o -0.9585000     1.325000      ?             ?      
1 1 1 27 44 35 o -0.7498000E-01 1.313000      ?             ?      
1 1 1 27 44 36 o 0.9268000E-01  1.270000      ?             ?      
1 1 1 27 44 37 o 0.4181000      1.248000      ?             ?      
1 1 1 27 44 38 o 1.150000       1.239000      ?             ?      
1 1 1 27 44 39 o -1.995000      1.407000      ?             ?      
1 1 1 27 44 40 o -0.8165000     1.236000      ?             ?      
1 1 1 27 44 41 o -0.7242000E-01 1.253000      ?             ?      
1 1 1 27 44 42 o -0.5282000     1.252000      ?             ?      
1 1 1 27 44 43 o -1.626000      1.249000      ?             ?      
1 1 1 27 44 44 o -0.1531000     1.241000      ?             ?      
1 1 1 27 44 45 < 0.000000       -1.000000     ?             ?      
1 1 1 27 45 0  o 0.7046000      1.244000      ?             ?      
1 1 1 27 45 1  o 0.3105000      0.8849000     ?             ?      
1 1 1 27 45 2  o -0.2389000     0.8918000     ?             ?      
1 1 1 27 45 3  o 0.9951000      0.9487000     ?             ?      
1 1 1 27 45 4  o 1.079000       1.062000      ?             ?      
1 1 1 27 45 5  o -1.093000      1.018000      ?             ?      
1 1 1 27 45 6  o 0.5014000      1.215000      ?             ?      
1 1 1 27 45 7  o 0.1507000      1.180000      ?             ?      
1 1 1 27 45 8  o 0.3080000E-01  1.294000      ?             ?      
1 1 1 27 45 9  o 1.305000       1.221000      ?             ?      
1 1 1 27 45 10 o -0.7018000     1.159000      ?             ?      
1 1 1 27 45 11 o -0.8919000     1.184000      ?             ?      
1 1 1 27 45 12 o 1.107000       1.544000      ?             ?      
1 1 1 27 45 13 o 2.567000       1.568000      ?             ?      
1 1 1 27 45 14 o 0.6575000      1.589000      ?             ?      
1 1 1 27 45 15 o -0.5973000     1.331000      ?             ?      
1 1 1 27 45 16 o -1.882000      1.287000      ?             ?      
1 1 1 27 45 17 o 1.257000       1.467000      ?             ?      
1 1 1 27 45 18 o 0.3048000      1.454000      ?             ?      
1 1 1 27 45 19 o 2.824000       1.502000      ?             ?      
1 1 1 27 45 20 o 0.6219000      1.496000      ?             ?      
1 1 1 27 45 21 o 0.4508000E-01  1.495000      ?             ?      
1 1 1 27 45 22 o 1.002000       1.509000      ?             ?      
1 1 1 27 45 23 o 1.853000       1.529000      ?             ?      
1 1 1 27 45 24 o 0.3792000      1.524000      ?             ?      
1 1 1 27 45 25 o 0.5234000      1.526000      ?             ?      
1 1 1 27 45 26 o -0.6687000     1.527000      ?             ?      
1 1 1 27 45 27 o -1.205000      2.211000      ?             ?      
1 1 1 27 45 28 o -1.734000      1.599000      ?             ?      
1 1 1 27 45 29 o -0.2932000     1.387000      ?             ?      
1 1 1 27 45 30 o -1.789000      1.355000      ?             ?      
1 1 1 27 45 31 o 1.481000       1.360000      ?             ?      
1 1 1 27 45 32 o 0.9960000      1.575000      ?             ?      
1 1 1 27 45 33 o -0.4817000     1.557000      ?             ?      
1 1 1 27 45 34 o 1.003000       1.326000      ?             ?      
1 1 1 27 45 35 o -0.4653000E-01 1.325000      ?             ?      
1 1 1 27 45 36 o -0.9695000     1.306000      ?             ?      
1 1 1 27 45 37 o 3.058000       1.289000      ?             ?      
1 1 1 27 45 38 o -0.3161000     1.278000      ?             ?      
1 1 1 27 45 39 o 0.6142000E-01  1.249000      ?             ?      
1 1 1 27 45 40 o -0.9509000     1.251000      ?             ?      
1 1 1 27 45 41 o 0.4899000      1.265000      ?             ?      
1 1 1 27 45 42 o 0.2569000      1.251000      ?             ?      
1 1 1 27 45 43 o -0.4756000     1.059000      ?             ?      
1 1 1 27 46 0  o -1.400000      1.227000      ?             ?      
1 1 1 27 46 1  o -0.2928000     0.9811000     ?             ?      
1 1 1 27 46 2  o 0.5960000      1.019000      ?             ?      
1 1 1 27 46 3  o 0.1559000E-01  0.9241000     ?             ?      
1 1 1 27 46 4  o 0.8629000      1.021000      ?             ?      
1 1 1 27 46 5  o -0.3667000E-02 1.044000      ?             ?      
1 1 1 27 46 6  o -0.1233000     1.202000      ?             ?      
1 1 1 27 46 7  o -0.6961000E-01 1.134000      ?             ?      
1 1 1 27 46 8  f -1.239000      1.162000      ?             ?      
1 1 1 27 46 9  o -1.775000      1.134000      ?             ?      
1 1 1 27 46 10 o -0.2781000     1.127000      ?             ?      
1 1 1 27 46 11 o -0.3890000     1.175000      ?             ?      
1 1 1 27 46 12 o 1.269000       1.527000      ?             ?      
1 1 1 27 46 13 o 1.537000       1.540000      ?             ?      
1 1 1 27 46 14 o 1.477000       1.295000      ?             ?      
1 1 1 27 46 15 o -0.9972000     1.233000      ?             ?      
1 1 1 27 46 16 o -1.620000      1.234000      ?             ?      
1 1 1 27 46 17 o -0.8915000     1.425000      ?             ?      
1 1 1 27 46 18 o -2.498000      1.434000      ?             ?      
1 1 1 27 46 19 o 0.2757000      1.489000      ?             ?      
1 1 1 27 46 20 o 2.522000       1.538000      ?             ?      
1 1 1 27 46 21 o -1.173000      1.522000      ?             ?      
1 1 1 27 46 22 o -1.787000      1.504000      ?             ?      
1 1 1 27 46 23 o -1.998000      1.532000      ?             ?      
1 1 1 27 46 24 o 0.6675000      1.561000      ?             ?      
1 1 1 27 46 25 o 1.515000       1.632000      ?             ?      
1 1 1 27 46 26 o 0.5682000      1.588000      ?             ?      
1 1 1 27 46 27 o -2.820000      2.196000      ?             ?      
1 1 1 27 46 28 o 0.3970000E-01  2.189000      ?             ?      
1 1 1 27 46 29 o -2.493000      1.625000      ?             ?      
1 1 1 27 46 30 o -1.332000      1.357000      ?             ?      
1 1 1 27 46 31 o -0.9882000     1.580000      ?             ?      
1 1 1 27 46 32 o -0.3973000     1.585000      ?             ?      
1 1 1 27 46 33 o -0.9723000     1.354000      ?             ?      
1 1 1 27 46 34 o -0.7725000     1.330000      ?             ?      
1 1 1 27 46 35 o 1.274000       1.326000      ?             ?      
1 1 1 27 46 36 o 0.3462000      1.334000      ?             ?      
1 1 1 27 46 37 o 0.5565000E-01  2.406000      ?             ?      
1 1 1 27 46 38 o -1.938000      1.317000      ?             ?      
1 1 1 27 46 39 o 0.1449000      1.290000      ?             ?      
1 1 1 27 46 40 o -0.9293000     1.265000      ?             ?      
1 1 1 27 46 41 o -1.794000      1.286000      ?             ?      
1 1 1 27 46 42 f -2.633000      1.730000      ?             ?      
1 1 1 27 47 0  o 1.945000       1.196000      ?             ?      
1 1 1 27 47 1  o -0.7103000     1.023000      ?             ?      
1 1 1 27 47 2  o 0.5695000      1.075000      ?             ?      
1 1 1 27 47 3  o -0.6857000     0.9018000     ?             ?      
1 1 1 27 47 4  o -0.9448000     0.9561000     ?             ?      
1 1 1 27 47 5  o 1.937000       0.9355000     ?             ?      
1 1 1 27 47 6  o -0.1407000     1.161000      ?             ?      
1 1 1 27 47 7  o -0.7300000E-02 1.108000      ?             ?      
1 1 1 27 47 8  o 3.864000       1.199000      ?             ?      
1 1 1 27 47 9  o 1.558000       1.145000      ?             ?      
1 1 1 27 47 10 o -0.7007000     1.175000      ?             ?      
1 1 1 27 47 11 o -0.6861000     1.205000      ?             ?      
1 1 1 27 47 12 o -1.028000      1.442000      ?             ?      
1 1 1 27 47 13 o 0.3783000      1.455000      ?             ?      
1 1 1 27 47 14 o -2.266000      1.251000      ?             ?      
1 1 1 27 47 15 o 1.974000       1.248000      ?             ?      
1 1 1 27 47 16 o -1.759000      1.237000      ?             ?      
1 1 1 27 47 17 o 0.8476000      1.438000      ?             ?      
1 1 1 27 47 18 o 3.610000       1.501000      ?             ?      
1 1 1 27 47 19 o -0.6880000     1.481000      ?             ?      
1 1 1 27 47 20 o 0.3558000      1.497000      ?             ?      
1 1 1 27 47 21 o 0.9269000      1.489000      ?             ?      
1 1 1 27 47 22 o -1.018000      1.522000      ?             ?      
1 1 1 27 47 23 o 0.4813000      1.527000      ?             ?      
1 1 1 27 47 24 o -0.1773000     1.545000      ?             ?      
1 1 1 27 47 25 o 0.6921000      1.540000      ?             ?      
1 1 1 27 47 26 o -0.1952000E-01 2.160000      ?             ?      
1 1 1 27 47 27 o -0.2256000     2.172000      ?             ?      
1 1 1 27 47 28 o -1.246000      1.623000      ?             ?      
1 1 1 27 47 29 o 0.5121000      1.664000      ?             ?      
1 1 1 27 47 30 o 3.119000       1.689000      ?             ?      
1 1 1 27 47 31 o -0.8963000E-01 1.589000      ?             ?      
1 1 1 27 47 32 o 0.5205000      1.609000      ?             ?      
1 1 1 27 47 33 o 0.5945000E-01  1.355000      ?             ?      
1 1 1 27 47 34 o -1.921000      1.334000      ?             ?      
1 1 1 27 47 35 o 0.3895000      1.342000      ?             ?      
1 1 1 27 47 36 o -0.8502000     1.352000      ?             ?      
1 1 1 27 47 37 o -0.7295000E-01 1.348000      ?             ?      
1 1 1 27 47 38 o -0.5777000     1.355000      ?             ?      
1 1 1 27 47 39 o 1.529000       1.373000      ?             ?      
1 1 1 27 47 40 o -0.6454000     1.721000      ?             ?      
1 1 1 27 47 41 < 0.000000       -1.000000     ?             ?      
1 1 1 27 48 0  o -0.8239000     1.159000      ?             ?      
1 1 1 27 48 1  o 0.4612000E-01  0.9009000     ?             ?      
1 1 1 27 48 2  o -0.6919000     0.9048000     ?             ?      
1 1 1 27 48 3  o 0.5743000      0.9712000     ?             ?      
1 1 1 27 48 4  o -0.4745000     1.164000      ?             ?      
1 1 1 27 48 5  o 0.2507000      1.322000      ?             ?      
1 1 1 27 48 6  o 0.9634000E-01  1.172000      ?             ?      
1 1 1 27 48 7  o 0.7102000      1.093000      ?             ?      
1 1 1 27 48 8  o -0.8381000     1.106000      ?             ?      
1 1 1 27 48 9  o -1.352000      1.096000      ?             ?      
1 1 1 27 48 10 o -0.7004000     1.118000      ?             ?      
1 1 1 27 48 11 o 0.1143000      1.290000      ?             ?      
1 1 1 27 48 12 o -2.196000      1.435000      ?             ?      
1 1 1 27 48 13 o 0.3867000      1.204000      ?             ?      
1 1 1 27 48 14 o 1.836000       1.244000      ?             ?      
1 1 1 27 48 15 o 0.5913000      1.225000      ?             ?      
1 1 1 27 48 16 o -0.2617000     1.233000      ?             ?      
1 1 1 27 48 17 o 0.4811000      1.423000      ?             ?      
1 1 1 27 48 18 o -0.6066000     1.450000      ?             ?      
1 1 1 27 48 19 o -1.371000      1.484000      ?             ?      
1 1 1 27 48 20 o 1.698000       1.466000      ?             ?      
1 1 1 27 48 21 o 1.767000       1.511000      ?             ?      
1 1 1 27 48 22 o -1.638000      1.523000      ?             ?      
1 1 1 27 48 23 o 0.7551000      1.524000      ?             ?      
1 1 1 27 48 24 o 0.2554000E-01  1.502000      ?             ?      
1 1 1 27 48 25 o -0.1209000     2.153000      ?             ?      
1 1 1 27 48 26 o -0.6451000     2.127000      ?             ?      
1 1 1 27 48 27 o -1.780000      1.620000      ?             ?      
1 1 1 27 48 28 o 0.3219000      1.617000      ?             ?      
1 1 1 27 48 29 o -0.4134000     1.631000      ?             ?      
1 1 1 27 48 30 o -0.2682000E-01 2.264000      ?             ?      
1 1 1 27 48 31 o -1.102000      2.277000      ?             ?      
1 1 1 27 48 32 o -0.6819000     1.369000      ?             ?      
1 1 1 27 48 33 o -1.437000      1.368000      ?             ?      
1 1 1 27 48 34 o -1.562000      1.376000      ?             ?      
1 1 1 27 48 35 o 0.7104000      1.372000      ?             ?      
1 1 1 27 48 36 o 0.7295000      1.387000      ?             ?      
1 1 1 27 48 37 o -0.3289000     1.368000      ?             ?      
1 1 1 27 48 38 o -0.3958000     1.406000      ?             ?      
1 1 1 27 48 39 o -2.767000      1.743000      ?             ?      
1 1 1 27 49 0  o 1.082000       1.160000      ?             ?      
1 1 1 27 49 1  o -1.155000      0.8535000     ?             ?      
1 1 1 27 49 2  o -0.4721000     0.8923000     ?             ?      
1 1 1 27 49 3  o 2.821000       1.073000      ?             ?      
1 1 1 27 49 4  o 1.032000       0.9905000     ?             ?      
1 1 1 27 49 5  o 0.3322000      0.8776000     ?             ?      
1 1 1 27 49 6  o -1.440000      1.073000      ?             ?      
1 1 1 27 49 7  o -0.7828000     1.086000      ?             ?      
1 1 1 27 49 8  o -0.6650000E-01 1.140000      ?             ?      
1 1 1 27 49 9  o 3.624000       1.132000      ?             ?      
1 1 1 27 49 10 o 0.3758000      1.114000      ?             ?      
1 1 1 27 49 11 o 0.2610000      1.244000      ?             ?      
1 1 1 27 49 12 o 2.322000       1.426000      ?             ?      
1 1 1 27 49 13 o 0.2911000      1.178000      ?             ?      
1 1 1 27 49 14 o 0.8508000      1.219000      ?             ?      
1 1 1 27 49 15 o -0.4775000     1.214000      ?             ?      
1 1 1 27 49 16 o -0.8034000     1.228000      ?             ?      
1 1 1 27 49 17 o 0.3830000      1.423000      ?             ?      
1 1 1 27 49 18 o -1.364000      1.426000      ?             ?      
1 1 1 27 49 19 o -0.1549000     1.466000      ?             ?      
1 1 1 27 49 20 o 1.113000       1.499000      ?             ?      
1 1 1 27 49 21 o 0.9131000      1.538000      ?             ?      
1 1 1 27 49 22 o -0.2779000     1.511000      ?             ?      
1 1 1 27 49 23 o 2.014000       1.528000      ?             ?      
1 1 1 27 49 24 o -1.223000      1.548000      ?             ?      
1 1 1 27 49 25 o 1.924000       2.181000      ?             ?      
1 1 1 27 49 26 o 3.187000       2.185000      ?             ?      
1 1 1 27 49 27 o -3.314000      1.622000      ?             ?      
1 1 1 27 49 28 o 0.6983000      1.622000      ?             ?      
1 1 1 27 49 29 o -0.3083000     1.637000      ?             ?      
1 1 1 27 49 30 o -0.6020000     2.245000      ?             ?      
1 1 1 27 49 31 o 1.947000       2.278000      ?             ?      
1 1 1 27 49 32 o -2.428000      1.651000      ?             ?      
1 1 1 27 49 33 o 0.5437000      1.701000      ?             ?      
1 1 1 27 49 34 o -1.072000      1.381000      ?             ?      
1 1 1 27 49 35 o -2.813000      1.390000      ?             ?      
1 1 1 27 49 36 o -1.444000      2.543000      ?             ?      
1 1 1 27 49 37 o 1.314000       1.726000      ?             ?      
1 1 1 27 50 0  o -0.1861000     1.277000      ?             ?      
1 1 1 27 50 1  o -1.084000      0.8772000     ?             ?      
1 1 1 27 50 2  o -0.8743000     0.9297000     ?             ?      
1 1 1 27 50 3  o 0.6721000      1.021000      ?             ?      
1 1 1 27 50 4  o 2.424000       1.036000      ?             ?      
1 1 1 27 50 5  o 0.2057000      0.8350000     ?             ?      
1 1 1 27 50 6  o -0.6056000     1.058000      ?             ?      
1 1 1 27 50 7  o -0.5307000     1.181000      ?             ?      
1 1 1 27 50 8  f -0.9383000     1.239000      ?             ?      
1 1 1 27 50 9  o 0.5559000      1.248000      ?             ?      
1 1 1 27 50 10 o -0.7599000     1.251000      ?             ?      
1 1 1 27 50 11 o -1.905000      1.255000      ?             ?      
1 1 1 27 50 12 o -1.270000      1.429000      ?             ?      
1 1 1 27 50 13 o 1.556000       1.187000      ?             ?      
1 1 1 27 50 14 o -0.7612000     1.238000      ?             ?      
1 1 1 27 50 15 o 0.8567000      1.239000      ?             ?      
1 1 1 27 50 16 o -0.1927000     1.242000      ?             ?      
1 1 1 27 50 17 o -0.6296000     1.433000      ?             ?      
1 1 1 27 50 18 o -0.5612000     1.452000      ?             ?      
1 1 1 27 50 19 o -3.154000      1.493000      ?             ?      
1 1 1 27 50 20 o -1.474000      1.499000      ?             ?      
1 1 1 27 50 21 f -0.4702000     1.497000      ?             ?      
1 1 1 27 50 22 o -0.3486000     1.501000      ?             ?      
1 1 1 27 50 23 o 0.3194000E-01  1.546000      ?             ?      
1 1 1 27 50 24 o 0.6051000      2.126000      ?             ?      
1 1 1 27 50 25 o -0.5914000     2.129000      ?             ?      
1 1 1 27 50 26 o 1.422000       1.659000      ?             ?      
1 1 1 27 50 27 o 1.255000       1.617000      ?             ?      
1 1 1 27 50 28 o -0.7777000     1.663000      ?             ?      
1 1 1 27 50 29 o 1.396000       2.299000      ?             ?      
1 1 1 27 50 30 o -0.3029000     2.248000      ?             ?      
1 1 1 27 50 31 o 0.2585000      1.665000      ?             ?      
1 1 1 27 50 32 o 1.914000       1.687000      ?             ?      
1 1 1 27 50 33 o 2.519000       1.701000      ?             ?      
1 1 1 27 50 34 o -0.1799000     1.722000      ?             ?      
1 1 1 27 50 35 o -2.120000      1.723000      ?             ?      
1 1 1 27 51 0  o -2.243000      1.626000      ?             ?      
1 1 1 27 51 1  o 0.1236000      1.093000      ?             ?      
1 1 1 27 51 2  o -0.7770000E-01 0.9096000     ?             ?      
1 1 1 27 51 3  o 1.635000       0.9279000     ?             ?      
1 1 1 27 51 4  o 1.209000       0.8562000     ?             ?      
1 1 1 27 51 5  o -0.5636000     0.8236000     ?             ?      
1 1 1 27 51 6  o -1.150000      1.052000      ?             ?      
1 1 1 27 51 7  o 0.3371000      1.032000      ?             ?      
1 1 1 27 51 8  o 1.178000       1.081000      ?             ?      
1 1 1 27 51 9  o -0.4483000E-01 1.091000      ?             ?      
1 1 1 27 51 10 o 1.165000       1.257000      ?             ?      
1 1 1 27 51 11 o -0.8955000     1.233000      ?             ?      
1 1 1 27 51 12 o 0.3400000      1.418000      ?             ?      
1 1 1 27 51 13 o -1.269000      1.184000      ?             ?      
1 1 1 27 51 14 o 0.4448000      1.240000      ?             ?      
1 1 1 27 51 15 o -0.1801000     1.271000      ?             ?      
1 1 1 27 51 16 o -1.167000      1.274000      ?             ?      
1 1 1 27 51 17 o -1.127000      1.460000      ?             ?      
1 1 1 27 51 18 o 1.405000       1.501000      ?             ?      
1 1 1 27 51 19 o -0.3789000E-01 1.510000      ?             ?      
1 1 1 27 51 20 o -2.443000      1.501000      ?             ?      
1 1 1 27 51 21 o 0.5351000E-02  1.510000      ?             ?      
1 1 1 27 51 22 o -0.5652000     1.537000      ?             ?      
1 1 1 27 51 23 o -1.371000      2.080000      ?             ?      
1 1 1 27 51 24 o -0.4915000     2.105000      ?             ?      
1 1 1 27 51 25 o -2.384000      1.661000      ?             ?      
1 1 1 27 51 26 o 0.8649000      1.646000      ?             ?      
1 1 1 27 51 27 o 0.9300000      1.634000      ?             ?      
1 1 1 27 51 28 o -1.671000      1.633000      ?             ?      
1 1 1 27 51 29 o 1.098000       2.261000      ?             ?      
1 1 1 27 51 30 o 2.107000       2.251000      ?             ?      
1 1 1 27 51 31 o 1.327000       1.668000      ?             ?      
1 1 1 27 51 32 o 0.8814000      1.643000      ?             ?      
1 1 1 27 51 33 f -1.865000      1.669000      ?             ?      
1 1 1 27 52 0  o 0.1170000      1.283000      ?             ?      
1 1 1 27 52 1  o 0.7936000      1.038000      ?             ?      
1 1 1 27 52 2  o -0.5451000     0.8997000     ?             ?      
1 1 1 27 52 3  o 0.1651000      0.8991000     ?             ?      
1 1 1 27 52 4  o -0.4410000     0.8185000     ?             ?      
1 1 1 27 52 5  o 0.7234000      0.8140000     ?             ?      
1 1 1 27 52 6  o -1.224000      1.145000      ?             ?      
1 1 1 27 52 7  o 1.183000       1.337000      ?             ?      
1 1 1 27 52 8  o -1.071000      1.260000      ?             ?      
1 1 1 27 52 9  o -1.240000      1.112000      ?             ?      
1 1 1 27 52 10 o -1.321000      1.224000      ?             ?      
1 1 1 27 52 11 o -0.1937000     1.233000      ?             ?      
1 1 1 27 52 12 o -0.3591000     1.166000      ?             ?      
1 1 1 27 52 13 o -0.7440000     1.186000      ?             ?      
1 1 1 27 52 14 o -0.6596000     1.471000      ?             ?      
1 1 1 27 52 15 o -1.271000      1.486000      ?             ?      
1 1 1 27 52 16 o 1.935000       1.556000      ?             ?      
1 1 1 27 52 17 o -1.081000      1.497000      ?             ?      
1 1 1 27 52 18 o 1.095000       1.555000      ?             ?      
1 1 1 27 52 19 o -0.6161000     1.564000      ?             ?      
1 1 1 27 52 20 o 1.610000       1.566000      ?             ?      
1 1 1 27 52 21 o -1.749000      1.560000      ?             ?      
1 1 1 27 52 22 o 0.4787000      1.570000      ?             ?      
1 1 1 27 52 23 o 1.420000       2.166000      ?             ?      
1 1 1 27 52 24 o -0.4533000     2.214000      ?             ?      
1 1 1 27 52 25 o 0.8415000      1.631000      ?             ?      
1 1 1 27 52 26 o -3.286000      1.578000      ?             ?      
1 1 1 27 52 27 o -1.691000      1.146000      ?             ?      
1 1 1 27 52 28 o 2.994000       2.268000      ?             ?      
1 1 1 27 52 29 o 1.941000       2.269000      ?             ?      
1 1 1 27 52 30 o -0.4004000     1.666000      ?             ?      
1 1 1 27 52 31 o 0.9374000      1.192000      ?             ?      
1 1 1 27 53 0  o 0.7296000E-01  1.652000      ?             ?      
1 1 1 27 53 1  o 1.346000       1.030000      ?             ?      
1 1 1 27 53 2  o 0.5060000      0.9430000     ?             ?      
1 1 1 27 53 3  o 0.5132000      0.8207000     ?             ?      
1 1 1 27 53 4  o -0.7815000     0.8093000     ?             ?      
1 1 1 27 53 5  o 0.4256000E-01  0.8276000     ?             ?      
1 1 1 27 53 6  o -0.3928000     1.120000      ?             ?      
1 1 1 27 53 7  o 0.1255000      1.065000      ?             ?      
1 1 1 27 53 8  o -0.1889000     1.136000      ?             ?      
1 1 1 27 53 9  o 0.3596000      1.298000      ?             ?      
1 1 1 27 53 10 o 0.8784000      1.982000      ?             ?      
1 1 1 27 53 11 o -1.008000      1.412000      ?             ?      
1 1 1 27 53 12 o -0.9683000     1.192000      ?             ?      
1 1 1 27 53 13 f -0.6641000     1.204000      ?             ?      
1 1 1 27 53 14 o -0.9293000E-01 1.256000      ?             ?      
1 1 1 27 53 15 o -1.706000      1.247000      ?             ?      
1 1 1 27 53 16 o -0.6895000     1.474000      ?             ?      
1 1 1 27 53 17 o -1.404000      1.532000      ?             ?      
1 1 1 27 53 18 o 1.078000       1.999000      ?             ?      
1 1 1 27 53 19 o 0.5166000      2.001000      ?             ?      
1 1 1 27 53 20 o 0.2194000      2.199000      ?             ?      
1 1 1 27 53 21 o 0.1852000      1.610000      ?             ?      
1 1 1 27 53 22 o 1.575000       2.183000      ?             ?      
1 1 1 27 53 23 o 1.203000       2.195000      ?             ?      
1 1 1 27 53 24 o 1.293000       1.650000      ?             ?      
1 1 1 27 53 25 o -0.8173000     1.612000      ?             ?      
1 1 1 27 53 26 o -0.7664000     1.613000      ?             ?      
1 1 1 27 53 27 o -0.5852000E-02 1.663000      ?             ?      
1 1 1 27 53 28 o -4.027000      2.259000      ?             ?      
1 1 1 27 53 29 o -0.6001000     2.258000      ?             ?      
1 1 1 27 54 0  o 0.6437000E-01  1.663000      ?             ?      
1 1 1 27 54 1  o -0.4273000     0.9943000     ?             ?      
1 1 1 27 54 2  o 0.9973000E-01  0.9888000     ?             ?      
1 1 1 27 54 3  o 0.2897000      0.8104000     ?             ?      
1 1 1 27 54 4  o 0.5133000      0.8154000     ?             ?      
1 1 1 27 54 5  o 0.4478000      0.8316000     ?             ?      
1 1 1 27 54 6  o 1.026000       1.101000      ?             ?      
1 1 1 27 54 7  o 0.2897000      1.094000      ?             ?      
1 1 1 27 54 8  o -0.6316000     1.139000      ?             ?      
1 1 1 27 54 9  o -2.064000      1.283000      ?             ?      
1 1 1 27 54 10 o -0.9470000E-01 1.273000      ?             ?      
1 1 1 27 54 11 o 0.3407000      1.119000      ?             ?      
1 1 1 27 54 12 o -0.9427000     1.202000      ?             ?      
1 1 1 27 54 13 o 0.6806000      1.242000      ?             ?      
1 1 1 27 54 14 o 0.3179000      1.517000      ?             ?      
1 1 1 27 54 15 o -2.819000      1.539000      ?             ?      
1 1 1 27 54 16 o -0.3308000     1.488000      ?             ?      
1 1 1 27 54 17 o -0.1915000     1.524000      ?             ?      
1 1 1 27 54 18 o 1.138000       1.547000      ?             ?      
1 1 1 27 54 19 o 2.616000       1.596000      ?             ?      
1 1 1 27 54 20 o 1.420000       1.609000      ?             ?      
1 1 1 27 54 21 o 0.6740000      1.219000      ?             ?      
1 1 1 27 54 22 o 1.577000       1.081000      ?             ?      
1 1 1 27 54 23 o 0.2340000      1.132000      ?             ?      
1 1 1 27 54 24 o -0.9814000E-01 2.290000      ?             ?      
1 1 1 27 54 25 o -1.693000      1.630000      ?             ?      
1 1 1 27 54 26 o 0.4286000      1.647000      ?             ?      
1 1 1 27 54 27 o 0.7920000      2.498000      ?             ?      
1 1 1 27 55 0  o 1.765000       1.558000      ?             ?      
1 1 1 27 55 1  o -0.4361000     1.100000      ?             ?      
1 1 1 27 55 2  o -0.4378000     0.8651000     ?             ?      
1 1 1 27 55 3  o 1.033000       0.8511000     ?             ?      
1 1 1 27 55 4  o -1.170000      0.8143000     ?             ?      
1 1 1 27 55 5  o 0.1795000      0.8266000     ?             ?      
1 1 1 27 55 6  o -0.8269000     1.088000      ?             ?      
1 1 1 27 55 7  o 0.9709000      1.098000      ?             ?      
1 1 1 27 55 8  o 0.3897000      1.306000      ?             ?      
1 1 1 27 55 9  o -1.093000      1.255000      ?             ?      
1 1 1 27 55 10 o 1.043000       1.258000      ?             ?      
1 1 1 27 55 11 o 0.5044000      1.109000      ?             ?      
1 1 1 27 55 12 o -0.3634000     1.127000      ?             ?      
1 1 1 27 55 13 o -0.4993000     1.228000      ?             ?      
1 1 1 27 55 14 o -1.290000      1.315000      ?             ?      
1 1 1 27 55 15 o 1.527000       1.535000      ?             ?      
1 1 1 27 55 16 o 1.443000       1.491000      ?             ?      
1 1 1 27 55 17 o -0.1327000     2.012000      ?             ?      
1 1 1 27 55 18 o 2.238000       2.076000      ?             ?      
1 1 1 27 55 19 o -0.2917000     3.702000      ?             ?      
1 1 1 27 55 20 o -2.286000      1.654000      ?             ?      
1 1 1 27 55 21 o 1.702000       2.168000      ?             ?      
1 1 1 27 55 22 o 0.4755000      2.157000      ?             ?      
1 1 1 27 55 23 o 1.257000       1.646000      ?             ?      
1 1 1 27 55 24 o -1.633000      1.251000      ?             ?      
1 1 1 27 56 0  o 1.789000       1.432000      ?             ?      
1 1 1 27 56 1  o 0.2757000      1.106000      ?             ?      
1 1 1 27 56 2  o 0.3752000      0.8741000     ?             ?      
1 1 1 27 56 3  o 0.2437000      0.8784000     ?             ?      
1 1 1 27 56 4  o 0.1811000      0.8275000     ?             ?      
1 1 1 27 56 5  o 0.4061000      0.8355000     ?             ?      
1 1 1 27 56 6  o -0.4466000     1.091000      ?             ?      
1 1 1 27 56 7  o -0.7996000     1.106000      ?             ?      
1 1 1 27 56 8  o 3.161000       2.317000      ?             ?      
1 1 1 27 56 9  o -0.9696000     1.262000      ?             ?      
1 1 1 27 56 10 o -0.4249000E-01 1.100000      ?             ?      
1 1 1 27 56 11 o -0.4799000     1.107000      ?             ?      
1 1 1 27 56 12 o 0.5477000E-01  1.112000      ?             ?      
1 1 1 27 56 13 o -0.9635000     1.242000      ?             ?      
1 1 1 27 56 14 o -1.497000      1.260000      ?             ?      
1 1 1 27 56 15 o 1.770000       1.522000      ?             ?      
1 1 1 27 56 16 o 1.968000       1.582000      ?             ?      
1 1 1 27 56 17 o 2.174000       1.582000      ?             ?      
1 1 1 27 56 18 o 2.811000       2.987000      ?             ?      
1 1 1 27 56 19 o -1.263000      1.609000      ?             ?      
1 1 1 27 56 20 o 1.763000       2.169000      ?             ?      
1 1 1 27 56 21 o 2.650000       2.194000      ?             ?      
1 1 1 27 57 0  o -0.7668000     1.423000      ?             ?      
1 1 1 27 57 1  o -0.5333000     0.9489000     ?             ?      
1 1 1 27 57 2  o 0.3497000E-01  0.9959000     ?             ?      
1 1 1 27 57 3  o 0.8399000      0.8861000     ?             ?      
1 1 1 27 57 4  o -0.8552000     0.8585000     ?             ?      
1 1 1 27 57 5  o -0.9780000     0.8441000     ?             ?      
1 1 1 27 57 6  o -0.4892000     1.175000      ?             ?      
1 1 1 27 57 7  o 2.142000       1.150000      ?             ?      
1 1 1 27 57 8  o 1.150000       1.286000      ?             ?      
1 1 1 27 57 9  o -0.6087000     1.254000      ?             ?      
1 1 1 27 57 10 o -0.3229000     1.109000      ?             ?      
1 1 1 27 57 11 o 0.4150000      1.104000      ?             ?      
1 1 1 27 57 12 o -0.3085000     1.114000      ?             ?      
1 1 1 27 57 13 o -0.2829000     1.233000      ?             ?      
1 1 1 27 57 14 o 2.047000       2.772000      ?             ?      
1 1 1 27 57 15 o 0.5411000      1.566000      ?             ?      
1 1 1 27 57 16 o 2.412000       1.613000      ?             ?      
1 1 1 27 57 17 o 0.3298000      1.558000      ?             ?      
1 1 1 27 58 0  o -1.698000      1.166000      ?             ?      
1 1 1 27 58 1  o -0.5812000     0.9324000     ?             ?      
1 1 1 27 58 2  o 0.1774000      0.9976000     ?             ?      
1 1 1 27 58 3  o -0.8473000     0.8927000     ?             ?      
1 1 1 27 58 4  o 1.130000       1.105000      ?             ?      
1 1 1 27 58 5  o -0.8160000     0.8534000     ?             ?      
1 1 1 27 58 6  o -0.3023000     2.035000      ?             ?      
1 1 1 27 58 7  o 0.2864000      2.623000      ?             ?      
1 1 1 27 58 8  o 0.4331000      1.430000      ?             ?      
1 1 1 27 58 9  o -1.102000      1.975000      ?             ?      
1 1 1 27 58 10 o 1.823000       2.684000      ?             ?      
1 1 1 27 58 11 o -1.322000      1.428000      ?             ?      
1 1 1 27 58 12 o 2.941000       1.341000      ?             ?      
1 1 1 28 0  0  o -2.768000      2.206000      208.4560      -0.0   
1 1 1 28 0  1  o 1.828000       1.534000      2.521292      90.0   
1 1 1 28 0  2  o 3.262000       1.543000      130.3245      180.0  
1 1 1 28 0  3  o 12.05000       1.650000      711.4428      90.0   
1 1 1 28 0  4  o 37.15000       2.116000      741.6249      180.0  
1 1 1 28 0  5  o 69.60000       2.916000      1346.864      -90.0  
1 1 1 28 0  6  o 5.684000       1.589000      492.5750      -0.0   
1 1 1 28 0  7  o 11.03000       1.819000      444.1940      90.0   
1 1 1 28 0  8  o -0.5194000E-01 1.522000      142.1251      0.0    
1 1 1 28 0  9  o 21.16000       1.838000      553.9834      90.0   
1 1 1 28 0  10 o 25.29000       1.775000      880.2047      0.0    
1 1 1 28 0  11 o 11.70000       1.625000      696.8138      -90.0  
1 1 1 28 0  12 o 7.553000       1.537000      189.6566      0.0    
1 1 1 28 0  13 o 6.458000       1.530000      274.8777      -90.0  
1 1 1 28 0  14 o 8.981000       1.566000      682.5342      0.0    
1 1 1 28 0  15 o 44.94000       2.291000      1216.149      90.0   
1 1 1 28 0  16 o 14.63000       1.592000      714.3407      180.0  
1 1 1 28 0  17 o 1.770000       1.489000      60.43097      90.0   
1 1 1 28 0  18 o 0.6436000      1.486000      1.130823      -0.0   
1 1 1 28 0  19 o 60.49000       2.377000      1160.685      90.0   
1 1 1 28 0  20 o 3.414000       1.472000      143.6997      180.0  
1 1 1 28 0  21 o 2.099000       1.452000      9.113305      90.0   
1 1 1 28 0  22 o -0.4246000E-04 1.446000      142.2795      0.0    
1 1 1 28 0  23 o 3.870000       1.484000      78.85728      90.0   
1 1 1 28 0  24 o 58.68000       2.511000      1493.471      180.0  
1 1 1 28 0  25 o 10.14000       1.628000      514.4559      -90.0  
1 1 1 28 0  26 o 46.22000       2.239000      1005.974      0.0    
1 1 1 28 0  27 o 0.4495000E-01  1.561000      80.31262      90.0   
1 1 1 28 0  28 o 4.326000       1.775000      331.9566      0.0    
1 1 1 28 0  29 o 4.149000       2.206000      428.2690      90.0   
1 1 1 28 0  30 o 2.608000       2.214000      208.7048      0.0    
1 1 1 28 0  31 o 16.68000       3.671000      528.3387      -90.0  
1 1 1 28 0  32 o -0.3065000     1.900000      255.9303      0.0    
1 1 1 28 0  33 o 11.71000       2.014000      636.1042      -90.0  
1 1 1 28 0  34 o 5.947000       1.685000      386.5120      180.0  
1 1 1 28 0  35 o -1.776000      1.673000      130.3670      90.0   
1 1 1 28 0  36 o 2.787000       1.714000      2.297723      0.0    
1 1 1 28 0  37 o 1.326000       1.723000      157.0770      90.0   
1 1 1 28 0  38 o 2.509000       2.105000      342.6595      0.0    
1 1 1 28 0  39 o -1.022000      2.083000      44.29056      90.0   
1 1 1 28 0  40 o 6.400000       1.869000      260.7627      -180.0 
1 1 1 28 0  41 o -0.1481000     2.107000      34.60847      -90.0  
1 1 1 28 0  42 o -0.4159000E-01 2.107000      186.8002      180.0  
1 1 1 28 0  43 o 2.117000       1.859000      48.39200      90.0   
1 1 1 28 0  44 o 6.159000       1.949000      287.7802      0.0    
1 1 1 28 0  45 o -0.5853000E-01 1.946000      27.53826      90.0   
1 1 1 28 0  46 o 7.612000       1.970000      332.8352      180.0  
1 1 1 28 0  47 o -3.171000      1.881000      113.6559      -90.0  
1 1 1 28 0  48 o -2.823000      2.135000      193.2180      180.0  
1 1 1 28 0  49 o -2.233000      2.153000      ?             ?      
1 1 1 28 0  50 o 22.97000       2.620000      ?             ?      
1 1 1 28 0  51 o 6.437000       2.865000      ?             ?      
1 1 1 28 0  52 o 0.2593000      2.535000      ?             ?      
1 1 1 28 0  53 o 1.801000       2.148000      ?             ?      
1 1 1 28 0  54 o -0.9600000     2.049000      ?             ?      
1 1 1 28 0  55 o 0.9954000      1.747000      ?             ?      
1 1 1 28 0  56 o 6.424000       1.823000      ?             ?      
1 1 1 28 0  57 o 6.891000       1.809000      ?             ?      
1 1 1 28 0  58 o 2.062000       1.725000      ?             ?      
1 1 1 28 0  59 o 5.084000       1.764000      ?             ?      
1 1 1 28 0  60 o 0.5462000      1.748000      ?             ?      
1 1 1 28 0  61 o 1.570000       1.759000      ?             ?      
1 1 1 28 0  62 o 4.017000       1.798000      ?             ?      
1 1 1 28 0  63 o 0.1965000      1.794000      ?             ?      
1 1 1 28 0  64 o -1.124000      1.795000      ?             ?      
1 1 1 28 0  65 o 2.217000       1.833000      ?             ?      
1 1 1 28 0  66 o 4.498000       2.277000      ?             ?      
1 1 1 28 1  0  o 18.45000       1.694000      793.0753      0.0    
1 1 1 28 1  1  o 4.155000       1.105000      283.2382      67.9   
1 1 1 28 1  2  o 36.78000       1.376000      815.8914      -85.3  
1 1 1 28 1  3  o 29.95000       1.322000      929.9771      -88.7  
1 1 1 28 1  4  o 15.94000       1.210000      415.3029      -63.4  
1 1 1 28 1  5  o 68.01000       1.912000      1194.365      151.1  
1 1 1 28 1  6  o 5.042000       1.136000      611.9166      113.6  
1 1 1 28 1  7  o 10.08000       1.138000      383.8554      -57.8  
1 1 1 28 1  8  o 2.721000       1.104000      231.4313      2.5    
1 1 1 28 1  9  o 7.089000       1.129000      439.6686      20.3   
1 1 1 28 1  10 o 6.027000       1.099000      504.1639      -71.8  
1 1 1 28 1  11 o 82.34000       3.240000      1230.765      49.8   
1 1 1 28 1  12 o 35.44000       1.354000      776.2943      46.1   
1 1 1 28 1  13 o 2.672000       1.060000      211.2596      -33.2  
1 1 1 28 1  14 o 23.84000       1.324000      579.9819      -119.6 
1 1 1 28 1  15 o 74.18000       2.106000      1522.031      149.4  
1 1 1 28 1  16 o 3.839000       1.076000      274.3715      42.3   
1 1 1 28 1  17 o 41.67000       1.557000      756.4895      -61.6  
1 1 1 28 1  18 o 5.583000       1.091000      408.1156      -130.9 
1 1 1 28 1  19 o 19.84000       1.202000      670.9940      -27.8  
1 1 1 28 1  20 o 5.659000       1.058000      256.7699      -178.7 
1 1 1 28 1  21 o 7.155000       1.045000      351.0060      159.2  
1 1 1 28 1  22 o 1.552000       1.021000      139.9890      -22.9  
1 1 1 28 1  23 o 3.529000       1.041000      132.6986      68.5   
1 1 1 28 1  24 o 4.055000       1.085000      240.6719      -56.0  
1 1 1 28 1  25 o 5.915000       1.110000      292.9280      173.2  
1 1 1 28 1  26 o 8.337000       1.141000      497.3548      60.7   
1 1 1 28 1  27 o 6.760000       1.211000      437.3593      -110.0 
1 1 1 28 1  28 o 0.4765000E-01  1.245000      239.0564      -50.0  
1 1 1 28 1  29 o 5.608000       1.708000      196.6010      80.0   
1 1 1 28 1  30 o 1.699000       1.859000      353.3315      -58.6  
1 1 1 28 1  31 f 31.28000       2.437000      780.7372      13.4   
1 1 1 28 1  32 o 0.2882000      1.534000      30.24084      104.8  
1 1 1 28 1  33 o 12.42000       1.502000      427.0309      161.5  
1 1 1 28 1  34 o 3.184000       1.184000      323.9275      59.1   
1 1 1 28 1  35 o 11.27000       1.253000      482.7173      -99.9  
1 1 1 28 1  36 o 5.618000       1.534000      293.5887      94.7   
1 1 1 28 1  37 o 5.763000       1.367000      515.0980      143.0  
1 1 1 28 1  38 o 10.87000       1.325000      374.3669      -67.4  
1 1 1 28 1  39 o 19.84000       1.513000      409.4787      173.7  
1 1 1 28 1  40 o 19.73000       1.444000      561.3682      -77.6  
1 1 1 28 1  41 o 3.306000       1.424000      237.3700      -93.2  
1 1 1 28 1  42 o 12.33000       1.380000      519.2448      -94.1  
1 1 1 28 1  43 o 0.3178000      1.376000      217.0366      159.4  
1 1 1 28 1  44 o 6.837000       1.468000      316.2139      -141.9 
1 1 1 28 1  45 o 2.100000       1.367000      219.5270      110.7  
1 1 1 28 1  46 o 0.5454000      1.447000      185.5188      -54.7  
1 1 1 28 1  47 o -0.4146000     1.428000      138.2135      -139.3 
1 1 1 28 1  48 o 4.101000       1.512000      242.1058      11.0   
1 1 1 28 1  49 o 2.921000       1.621000      ?             ?      
1 1 1 28 1  50 o 10.81000       1.875000      ?             ?      
1 1 1 28 1  51 o 3.744000       2.128000      ?             ?      
1 1 1 28 1  52 o 4.396000       2.131000      ?             ?      
1 1 1 28 1  53 o -0.7671000E-01 2.184000      ?             ?      
1 1 1 28 1  54 o -0.1744000     1.482000      ?             ?      
1 1 1 28 1  55 o 1.184000       1.250000      ?             ?      
1 1 1 28 1  56 o 2.578000       1.240000      ?             ?      
1 1 1 28 1  57 o 1.382000       1.253000      ?             ?      
1 1 1 28 1  58 o 1.484000       1.233000      ?             ?      
1 1 1 28 1  59 o -0.2828000E-01 1.218000      ?             ?      
1 1 1 28 1  60 o 1.213000       1.249000      ?             ?      
1 1 1 28 1  61 o 2.917000       1.272000      ?             ?      
1 1 1 28 1  62 o 1.519000       1.278000      ?             ?      
1 1 1 28 1  63 o 3.382000       1.291000      ?             ?      
1 1 1 28 1  64 o 1.780000       1.279000      ?             ?      
1 1 1 28 1  65 o -0.2858000     1.297000      ?             ?      
1 1 1 28 1  66 o 0.1728000      1.490000      ?             ?      
1 1 1 28 2  0  o 12.72000       1.625000      586.1250      0.0    
1 1 1 28 2  1  o 6.607000       1.119000      141.7922      -88.0  
1 1 1 28 2  2  o 7.568000       1.139000      450.9255      -2.4   
1 1 1 28 2  3  o 15.16000       1.248000      655.5556      -74.1  
1 1 1 28 2  4  o 23.38000       1.282000      600.7970      -127.9 
1 1 1 28 2  5  o 11.75000       1.376000      735.8666      -101.6 
1 1 1 28 2  6  o 2.433000       1.125000      351.4771      0.9    
1 1 1 28 2  7  o 19.69000       1.248000      711.2647      71.2   
1 1 1 28 2  8  o 7.941000       1.129000      290.8979      73.3   
1 1 1 28 2  9  o 16.13000       1.179000      512.3065      128.8  
1 1 1 28 2  10 o 16.11000       1.222000      759.8069      112.2  
1 1 1 28 2  11 o 6.464000       1.138000      277.2394      140.9  
1 1 1 28 2  12 o 8.088000       1.096000      522.9393      45.1   
1 1 1 28 2  13 o 26.51000       1.246000      935.9105      52.0   
1 1 1 28 2  14 o 16.98000       1.146000      511.1325      -167.9 
1 1 1 28 2  15 o 8.886000       1.101000      419.1841      137.0  
1 1 1 28 2  16 o 16.19000       1.170000      444.4238      -94.5  
1 1 1 28 2  17 o 26.49000       1.417000      495.1653      102.7  
1 1 1 28 2  18 f 35.01000       1.462000      842.0475      65.2   
1 1 1 28 2  19 o 37.03000       1.522000      702.5820      128.8  
1 1 1 28 2  20 o 14.97000       1.133000      561.6913      90.9   
1 1 1 28 2  21 o 4.141000       1.032000      439.8584      52.9   
1 1 1 28 2  22 o 3.197000       1.039000      93.40058      105.1  
1 1 1 28 2  23 o 3.670000       1.061000      413.7831      -15.7  
1 1 1 28 2  24 o 23.62000       1.239000      815.8791      160.2  
1 1 1 28 2  25 o 11.92000       1.124000      457.6067      -41.5  
1 1 1 28 2  26 o 2.587000       1.092000      362.1173      0.6    
1 1 1 28 2  27 o 12.83000       1.271000      474.8224      94.9   
1 1 1 28 2  28 o 4.891000       1.319000      284.7879      39.3   
1 1 1 28 2  29 o 20.55000       1.947000      713.8163      113.3  
1 1 1 28 2  30 o -0.7235000     1.834000      230.6161      69.2   
1 1 1 28 2  31 o 7.958000       1.866000      250.1054      75.1   
1 1 1 28 2  32 o -0.4617000     1.876000      158.4292      12.4   
1 1 1 28 2  33 o 1.733000       1.253000      132.7380      -25.9  
1 1 1 28 2  34 o 8.942000       1.313000      418.1193      147.9  
1 1 1 28 2  35 o 8.328000       1.235000      347.1234      173.0  
1 1 1 28 2  36 o 8.721000       1.331000      356.1761      -12.2  
1 1 1 28 2  37 o 8.489000       1.380000      368.0607      -19.1  
1 1 1 28 2  38 o 18.73000       1.390000      490.5509      -73.4  
1 1 1 28 2  39 o 2.201000       1.278000      105.8303      -153.3 
1 1 1 28 2  40 o 1.712000       1.297000      97.64484      -74.3  
1 1 1 28 2  41 o 2.206000       1.312000      202.9765      -14.1  
1 1 1 28 2  42 o 3.746000       1.307000      225.6773      -143.7 
1 1 1 28 2  43 o 0.2232000      1.403000      73.73309      -22.7  
1 1 1 28 2  44 o 1.238000       1.623000      200.3378      139.5  
1 1 1 28 2  45 o 7.008000       1.503000      226.2755      -158.9 
1 1 1 28 2  46 o 4.190000       1.699000      330.9237      100.9  
1 1 1 28 2  47 o -1.128000      1.496000      95.36562      71.3   
1 1 1 28 2  48 o 2.355000       1.342000      104.6732      -50.8  
1 1 1 28 2  49 o 5.266000       1.495000      ?             ?      
1 1 1 28 2  50 o 6.507000       1.614000      ?             ?      
1 1 1 28 2  51 o 2.313000       2.052000      ?             ?      
1 1 1 28 2  52 o 2.509000       1.584000      ?             ?      
1 1 1 28 2  53 o 0.2648000E-01  1.840000      ?             ?      
1 1 1 28 2  54 o 1.409000       1.496000      ?             ?      
1 1 1 28 2  55 o 1.747000       1.352000      ?             ?      
1 1 1 28 2  56 o 2.563000       1.384000      ?             ?      
1 1 1 28 2  57 o 3.754000       1.258000      ?             ?      
1 1 1 28 2  58 o 2.285000       1.233000      ?             ?      
1 1 1 28 2  59 o -0.1668000     1.229000      ?             ?      
1 1 1 28 2  60 o 2.844000       1.247000      ?             ?      
1 1 1 28 2  61 o 1.403000       1.263000      ?             ?      
1 1 1 28 2  62 o 7.107000       1.344000      ?             ?      
1 1 1 28 2  63 o 0.3263000      1.279000      ?             ?      
1 1 1 28 2  64 o -1.741000      1.275000      ?             ?      
1 1 1 28 2  65 o -0.2826000     1.452000      ?             ?      
1 1 1 28 2  66 o 1.966000       1.483000      ?             ?      
1 1 1 28 3  0  o 16.25000       1.657000      822.3541      -0.0   
1 1 1 28 3  1  o 4.232000       1.118000      449.3295      170.9  
1 1 1 28 3  2  o 16.83000       1.314000      649.6882      -7.9   
1 1 1 28 3  3  o 4.213000       1.166000      200.3154      21.8   
1 1 1 28 3  4  o 45.89000       1.513000      1123.347      -23.2  
1 1 1 28 3  5  o 62.93000       2.191000      1223.312      130.1  
1 1 1 28 3  6  o 9.249000       1.173000      408.4712      -1.1   
1 1 1 28 3  7  o 15.30000       1.481000      573.3815      -28.7  
1 1 1 28 3  8  o 13.38000       1.284000      565.7932      -114.8 
1 1 1 28 3  9  o 5.011000       1.095000      343.4930      57.2   
1 1 1 28 3  10 o 15.91000       1.191000      648.4775      5.9    
1 1 1 28 3  11 o 6.662000       1.111000      180.1509      27.5   
1 1 1 28 3  12 o 4.490000       1.076000      451.1828      175.4  
1 1 1 28 3  13 o 6.570000       1.070000      514.3516      -149.0 
1 1 1 28 3  14 o 8.018000       1.074000      507.5834      168.8  
1 1 1 28 3  15 o 12.18000       1.125000      591.2584      -134.0 
1 1 1 28 3  16 o 33.48000       1.411000      518.8208      -40.4  
1 1 1 28 3  17 o 21.55000       1.243000      870.8678      -154.0 
1 1 1 28 3  18 o 75.34000       2.166000      1248.110      -123.0 
1 1 1 28 3  19 o 27.53000       1.299000      600.8492      12.2   
1 1 1 28 3  20 o 16.52000       1.166000      628.2329      -128.2 
1 1 1 28 3  21 o 3.786000       1.053000      330.1331      151.8  
1 1 1 28 3  22 o 1.844000       1.024000      279.6550      66.4   
1 1 1 28 3  23 o 12.21000       1.107000      446.3359      -101.2 
1 1 1 28 3  24 o -0.3832000     1.032000      25.57647      -1.6   
1 1 1 28 3  25 o 1.120000       1.060000      177.4422      -124.6 
1 1 1 28 3  26 o 7.591000       1.122000      351.4673      -103.2 
1 1 1 28 3  27 o 20.82000       1.365000      665.0841      -110.4 
1 1 1 28 3  28 o 11.13000       1.523000      379.5566      110.8  
1 1 1 28 3  29 o 9.013000       1.754000      396.8501      150.0  
1 1 1 28 3  30 o 23.31000       3.514000      843.5532      -143.0 
1 1 1 28 3  31 o -2.182000      1.896000      209.6901      -27.0  
1 1 1 28 3  32 o 1.280000       1.510000      197.7174      136.6  
1 1 1 28 3  33 o 2.364000       1.373000      307.9596      27.8   
1 1 1 28 3  34 o 3.212000       1.354000      338.0495      -108.5 
1 1 1 28 3  35 o 8.763000       1.269000      562.1764      -88.1  
1 1 1 28 3  36 o 18.67000       1.362000      570.6595      41.1   
1 1 1 28 3  37 o 36.64000       1.702000      656.8082      63.4   
1 1 1 28 3  38 o 4.909000       1.284000      387.3636      -28.9  
1 1 1 28 3  39 o 9.697000       1.325000      473.7977      -71.3  
1 1 1 28 3  40 o 7.543000       1.339000      477.1273      -61.3  
1 1 1 28 3  41 o -1.862000      1.395000      28.88322      121.9  
1 1 1 28 3  42 o 7.487000       1.457000      407.5677      -58.6  
1 1 1 28 3  43 o 0.9771000      1.307000      271.8487      176.1  
1 1 1 28 3  44 o -0.3653000     1.454000      261.8667      119.3  
1 1 1 28 3  45 o 8.318000       1.449000      283.4116      -3.0   
1 1 1 28 3  46 o 2.485000       1.443000      244.2068      -156.5 
1 1 1 28 3  47 o 0.5258000      1.343000      250.3772      110.6  
1 1 1 28 3  48 o 2.041000       1.442000      227.2906      3.4    
1 1 1 28 3  49 o 1.358000       1.526000      ?             ?      
1 1 1 28 3  50 o 5.020000       1.588000      ?             ?      
1 1 1 28 3  51 o 17.23000       2.316000      ?             ?      
1 1 1 28 3  52 o 1.002000       1.637000      ?             ?      
1 1 1 28 3  53 o -0.5725000     1.481000      ?             ?      
1 1 1 28 3  54 o 0.8609000      1.417000      ?             ?      
1 1 1 28 3  55 o 0.5173000      1.330000      ?             ?      
1 1 1 28 3  56 o -2.161000      1.295000      ?             ?      
1 1 1 28 3  57 o -0.4677000     1.231000      ?             ?      
1 1 1 28 3  58 o 3.295000       1.411000      ?             ?      
1 1 1 28 3  59 o 2.989000       1.267000      ?             ?      
1 1 1 28 3  60 o 0.7386000      1.240000      ?             ?      
1 1 1 28 3  61 o 2.499000       1.259000      ?             ?      
1 1 1 28 3  62 o 1.371000       1.286000      ?             ?      
1 1 1 28 3  63 o -0.5365000     1.282000      ?             ?      
1 1 1 28 3  64 o 0.9696000      1.298000      ?             ?      
1 1 1 28 3  65 o -0.4503000     1.455000      ?             ?      
1 1 1 28 3  66 o 1.125000       1.547000      ?             ?      
1 1 1 28 4  0  o 12.08000       1.595000      712.3994      0.0    
1 1 1 28 4  1  o 13.04000       1.178000      673.3520      172.1  
1 1 1 28 4  2  o 20.15000       1.260000      777.7648      -46.2  
1 1 1 28 4  3  o 16.09000       1.207000      524.4026      -76.3  
1 1 1 28 4  4  o 23.39000       1.282000      846.1608      129.5  
1 1 1 28 4  5  o 16.39000       1.312000      745.7430      22.2   
1 1 1 28 4  6  o 6.721000       1.164000      444.6457      66.0   
1 1 1 28 4  7  o 15.85000       1.243000      657.9594      35.3   
1 1 1 28 4  8  o 13.14000       1.190000      610.9794      164.5  
1 1 1 28 4  9  o 3.705000       1.088000      358.6238      62.3   
1 1 1 28 4  10 o 5.913000       1.134000      361.0796      28.2   
1 1 1 28 4  11 o 10.57000       1.149000      391.2127      63.1   
1 1 1 28 4  12 o 5.186000       1.077000      285.6523      -9.0   
1 1 1 28 4  13 o 1.763000       1.042000      111.1124      12.3   
1 1 1 28 4  14 o 7.516000       1.109000      436.6736      -125.7 
1 1 1 28 4  15 o 2.993000       1.071000      31.20373      50.0   
1 1 1 28 4  16 o 22.33000       1.240000      781.3237      -8.3   
1 1 1 28 4  17 o 35.33000       1.388000      817.9084      61.2   
1 1 1 28 4  18 o 15.29000       1.156000      546.1417      45.2   
1 1 1 28 4  19 o 7.367000       1.094000      355.0952      -0.9   
1 1 1 28 4  20 o 28.54000       1.289000      860.8354      104.2  
1 1 1 28 4  21 o 6.019000       1.072000      338.8515      -88.0  
1 1 1 28 4  22 o 6.730000       1.079000      327.9645      -20.6  
1 1 1 28 4  23 o 3.668000       1.048000      247.6960      41.5   
1 1 1 28 4  24 o 6.255000       1.066000      316.6867      88.0   
1 1 1 28 4  25 o 1.231000       1.053000      106.0450      -114.8 
1 1 1 28 4  26 o 0.5884000      1.120000      206.4421      32.6   
1 1 1 28 4  27 o 0.4480000E-01  1.262000      130.9079      -17.5  
1 1 1 28 4  28 o 16.60000       2.110000      607.4149      -39.6  
1 1 1 28 4  29 o 3.203000       1.885000      170.1023      150.9  
1 1 1 28 4  30 o -0.6011000     1.489000      53.20694      90.2   
1 1 1 28 4  31 o 5.013000       1.943000      365.3313      69.3   
1 1 1 28 4  32 o 6.464000       1.440000      287.2789      30.0   
1 1 1 28 4  33 o 7.196000       1.351000      386.7867      -141.2 
1 1 1 28 4  34 o 1.495000       1.297000      183.1410      42.8   
1 1 1 28 4  35 o 0.9122000      1.288000      93.35321      17.2   
1 1 1 28 4  36 o 6.708000       1.254000      312.6960      -10.7  
1 1 1 28 4  37 o 1.548000       1.239000      172.5231      -69.2  
1 1 1 28 4  38 f 3.545000       1.263000      241.5065      -128.5 
1 1 1 28 4  39 o 1.309000       1.376000      229.5787      128.4  
1 1 1 28 4  40 o 1.321000       1.386000      95.20708      -10.8  
1 1 1 28 4  41 o 0.6253000      1.380000      239.1924      23.2   
1 1 1 28 4  42 o 1.518000       1.410000      260.3470      -76.7  
1 1 1 28 4  43 o 1.762000       1.307000      345.9104      133.2  
1 1 1 28 4  44 o 3.190000       1.335000      156.4752      108.1  
1 1 1 28 4  45 o 5.935000       1.390000      306.8991      -162.6 
1 1 1 28 4  46 f 5.697000       1.370000      383.4536      88.0   
1 1 1 28 4  47 o 4.585000       1.369000      218.4042      -162.9 
1 1 1 28 4  48 o -1.441000      1.633000      133.1010      -160.7 
1 1 1 28 4  49 o 2.166000       1.625000      ?             ?      
1 1 1 28 4  50 o 1.360000       1.475000      ?             ?      
1 1 1 28 4  51 o 1.993000       1.674000      ?             ?      
1 1 1 28 4  52 o -0.9021000     1.476000      ?             ?      
1 1 1 28 4  53 o 0.8553000      1.351000      ?             ?      
1 1 1 28 4  54 o 0.9576000      1.342000      ?             ?      
1 1 1 28 4  55 o -0.4827000     1.337000      ?             ?      
1 1 1 28 4  56 o 0.9049000      1.323000      ?             ?      
1 1 1 28 4  57 o 1.064000       1.207000      ?             ?      
1 1 1 28 4  58 o 3.155000       1.303000      ?             ?      
1 1 1 28 4  59 o -2.360000      1.507000      ?             ?      
1 1 1 28 4  60 o -0.7232000     1.340000      ?             ?      
1 1 1 28 4  61 o -1.819000      1.359000      ?             ?      
1 1 1 28 4  62 o 0.3436000      1.263000      ?             ?      
1 1 1 28 4  63 o 1.854000       1.264000      ?             ?      
1 1 1 28 4  64 f -1.174000      1.275000      ?             ?      
1 1 1 28 4  65 o 0.7180000      1.434000      ?             ?      
1 1 1 28 4  66 o 2.912000       1.534000      ?             ?      
1 1 1 28 5  0  o 0.7603000      1.575000      184.2204      0.0    
1 1 1 28 5  1  f 4.489000       1.125000      498.3846      64.4   
1 1 1 28 5  2  o 8.276000       1.162000      436.0272      -18.6  
1 1 1 28 5  3  o 1.234000       1.118000      167.6476      145.9  
1 1 1 28 5  4  o 6.253000       1.148000      497.3291      39.8   
1 1 1 28 5  5  o 29.51000       1.440000      1016.346      146.1  
1 1 1 28 5  6  o 0.1990000      1.153000      122.4168      162.7  
1 1 1 28 5  7  o 6.771000       1.158000      744.0358      -80.7  
1 1 1 28 5  8  o 0.8268000      1.104000      176.8562      4.9    
1 1 1 28 5  9  o 0.2383000      1.138000      348.1313      29.3   
1 1 1 28 5  10 o 17.18000       1.192000      664.8142      57.3   
1 1 1 28 5  11 o 1.965000       1.109000      250.1368      -0.9   
1 1 1 28 5  12 o 4.456000       1.090000      297.1526      158.6  
1 1 1 28 5  13 o 8.893000       1.093000      525.7780      -98.8  
1 1 1 28 5  14 o 8.404000       1.082000      359.0861      105.8  
1 1 1 28 5  15 o 3.644000       1.053000      189.4478      -168.7 
1 1 1 28 5  16 o 2.081000       1.082000      288.4968      38.7   
1 1 1 28 5  17 o 26.08000       1.284000      950.9758      178.0  
1 1 1 28 5  18 o 0.9713000      1.046000      241.0847      -108.7 
1 1 1 28 5  19 o 1.314000       1.033000      152.0587      -22.4  
1 1 1 28 5  20 o 8.093000       1.080000      395.4541      153.2  
1 1 1 28 5  21 o 8.828000       1.083000      466.6690      -152.8 
1 1 1 28 5  22 o -0.8606000     1.042000      73.40795      -55.4  
1 1 1 28 5  23 o 3.638000       1.043000      224.5717      89.6   
1 1 1 28 5  24 o 3.203000       1.058000      256.0804      -138.9 
1 1 1 28 5  25 o 5.283000       1.097000      377.7674      -112.9 
1 1 1 28 5  26 o 5.129000       1.279000      318.3414      -86.0  
1 1 1 28 5  27 o 5.928000       1.548000      425.9932      62.7   
1 1 1 28 5  28 o 2.543000       1.421000      331.8643      110.5  
1 1 1 28 5  29 f 2.854000       1.612000      144.9167      146.4  
1 1 1 28 5  30 o 2.066000       1.337000      165.2826      167.6  
1 1 1 28 5  31 o 6.724000       1.341000      433.2727      88.5   
1 1 1 28 5  32 o 1.660000       1.423000      180.8338      -142.6 
1 1 1 28 5  33 o 8.330000       1.488000      475.5452      -15.7  
1 1 1 28 5  34 o 1.923000       1.389000      308.8653      -22.9  
1 1 1 28 5  35 o 4.931000       1.350000      271.8147      -33.8  
1 1 1 28 5  36 f 14.17000       1.521000      534.1921      27.1   
1 1 1 28 5  37 o 1.665000       1.324000      278.0935      3.7    
1 1 1 28 5  38 o 8.988000       1.307000      500.9869      -85.6  
1 1 1 28 5  39 o 1.720000       1.359000      154.9356      -86.8  
1 1 1 28 5  40 o 1.839000       1.367000      182.9484      -40.3  
1 1 1 28 5  41 o 0.7812000      1.291000      176.2154      -10.9  
1 1 1 28 5  42 o 1.125000       1.298000      275.1115      -155.6 
1 1 1 28 5  43 o 2.693000       1.314000      210.1638      90.2   
1 1 1 28 5  44 o -0.5880000     1.313000      214.1977      -34.6  
1 1 1 28 5  45 o 1.072000       1.347000      180.5689      -85.7  
1 1 1 28 5  46 o -1.603000      1.333000      75.91156      -153.9 
1 1 1 28 5  47 o 0.8371000      1.343000      272.5024      109.4  
1 1 1 28 5  48 o 0.2015000      1.463000      240.5139      -24.8  
1 1 1 28 5  49 o 0.6119000      1.583000      ?             ?      
1 1 1 28 5  50 o 3.282000       1.526000      ?             ?      
1 1 1 28 5  51 o 1.189000       1.337000      ?             ?      
1 1 1 28 5  52 o 1.878000       1.414000      ?             ?      
1 1 1 28 5  53 o 0.2462000      1.426000      ?             ?      
1 1 1 28 5  54 o 0.6470000      1.468000      ?             ?      
1 1 1 28 5  55 o 1.690000       1.402000      ?             ?      
1 1 1 28 5  56 o -0.3708000     1.302000      ?             ?      
1 1 1 28 5  57 o -0.3806000E-01 1.194000      ?             ?      
1 1 1 28 5  58 o 0.5414000      1.190000      ?             ?      
1 1 1 28 5  59 o -1.951000      1.204000      ?             ?      
1 1 1 28 5  60 o -1.076000      1.276000      ?             ?      
1 1 1 28 5  61 o -2.201000      1.293000      ?             ?      
1 1 1 28 5  62 o -0.7039000     1.362000      ?             ?      
1 1 1 28 5  63 o 0.8070000      1.367000      ?             ?      
1 1 1 28 5  64 o 0.3704000      1.393000      ?             ?      
1 1 1 28 5  65 o -1.236000      1.483000      ?             ?      
1 1 1 28 5  66 o 1.971000       1.494000      ?             ?      
1 1 1 28 6  0  o -1.615000      1.563000      30.86092      180.0  
1 1 1 28 6  1  o 2.801000       1.116000      294.6672      24.3   
1 1 1 28 6  2  o 14.56000       1.185000      545.3420      -67.5  
1 1 1 28 6  3  o 1.003000       1.115000      176.5628      179.2  
1 1 1 28 6  4  o -0.8394000E-01 1.112000      155.4503      -131.0 
1 1 1 28 6  5  o 1.025000       1.127000      232.9741      98.6   
1 1 1 28 6  6  o -0.1499000     1.129000      91.66194      85.8   
1 1 1 28 6  7  o -1.677000      1.119000      293.0226      -12.6  
1 1 1 28 6  8  o 0.9294000      1.105000      251.5134      57.8   
1 1 1 28 6  9  o 2.178000       1.131000      290.1626      70.1   
1 1 1 28 6  10 o 7.490000       1.120000      349.0177      86.7   
1 1 1 28 6  11 f 2.994000       1.102000      393.8060      126.7  
1 1 1 28 6  12 o 3.975000       1.088000      262.5685      41.6   
1 1 1 28 6  13 o 1.091000       1.062000      238.8249      -23.9  
1 1 1 28 6  14 o 1.504000       1.048000      109.1690      -33.0  
1 1 1 28 6  15 o 2.623000       1.041000      206.2446      128.3  
1 1 1 28 6  16 o 4.951000       1.058000      323.8844      -32.9  
1 1 1 28 6  17 o 5.668000       1.096000      341.0918      79.3   
1 1 1 28 6  18 o 2.274000       1.069000      181.7623      100.6  
1 1 1 28 6  19 o 2.363000       1.036000      224.8785      167.5  
1 1 1 28 6  20 o 1.544000       1.036000      174.8473      -174.5 
1 1 1 28 6  21 o 3.454000       1.077000      324.7330      -141.5 
1 1 1 28 6  22 o 4.248000       1.066000      388.3084      21.6   
1 1 1 28 6  23 o 0.9471000      1.175000      150.5851      104.6  
1 1 1 28 6  24 o 2.361000       1.180000      311.5144      35.0   
1 1 1 28 6  25 o 5.448000       1.140000      330.0375      24.4   
1 1 1 28 6  26 o 2.255000       1.361000      99.82063      -15.9  
1 1 1 28 6  27 o 11.34000       1.560000      470.6244      -39.5  
1 1 1 28 6  28 o 0.9471000      1.418000      265.0718      -148.6 
1 1 1 28 6  29 o 3.332000       1.309000      261.2176      170.8  
1 1 1 28 6  30 o 0.5082000E-01  1.270000      198.8848      171.3  
1 1 1 28 6  31 o 3.800000       1.293000      162.6463      56.2   
1 1 1 28 6  32 o 0.8522000E-01  1.215000      109.7580      -177.8 
1 1 1 28 6  33 o 4.507000       1.457000      248.2995      -109.2 
1 1 1 28 6  34 o -0.9143000     1.446000      208.0902      38.3   
1 1 1 28 6  35 o -0.3365000     1.409000      150.0605      27.1   
1 1 1 28 6  36 f 3.894000       1.531000      414.9074      -26.1  
1 1 1 28 6  37 o 0.7452000      1.309000      94.03770      -166.4 
1 1 1 28 6  38 o 0.8131000      1.232000      97.58608      175.6  
1 1 1 28 6  39 o 1.309000       1.260000      220.0692      31.7   
1 1 1 28 6  40 o 2.099000       1.294000      298.5597      -160.7 
1 1 1 28 6  41 o 2.425000       1.295000      270.6742      51.1   
1 1 1 28 6  42 o 0.9103000      1.303000      144.0762      151.7  
1 1 1 28 6  43 o 0.9422000      1.290000      151.4609      125.0  
1 1 1 28 6  44 o 2.167000       1.434000      175.6339      53.2   
1 1 1 28 6  45 o -1.498000      1.300000      151.5577      136.5  
1 1 1 28 6  46 o 1.580000       1.318000      130.2486      121.4  
1 1 1 28 6  47 o -0.4459000E-01 1.439000      156.4505      140.3  
1 1 1 28 6  48 o -2.570000      1.435000      53.86357      137.4  
1 1 1 28 6  49 o 3.237000       1.483000      ?             ?      
1 1 1 28 6  50 o 0.6490000      1.420000      ?             ?      
1 1 1 28 6  51 o -0.6609000     1.315000      ?             ?      
1 1 1 28 6  52 o 0.2068000      1.382000      ?             ?      
1 1 1 28 6  53 o 0.2663000E-01  1.601000      ?             ?      
1 1 1 28 6  54 o -1.153000      1.315000      ?             ?      
1 1 1 28 6  55 o 0.2817000      1.349000      ?             ?      
1 1 1 28 6  56 o -1.653000      1.396000      ?             ?      
1 1 1 28 6  57 o -1.734000      1.280000      ?             ?      
1 1 1 28 6  58 o -0.8090000     1.196000      ?             ?      
1 1 1 28 6  59 o -0.1196000     1.208000      ?             ?      
1 1 1 28 6  60 o 1.482000       1.261000      ?             ?      
1 1 1 28 6  61 o -1.213000      1.226000      ?             ?      
1 1 1 28 6  62 o 1.749000       1.309000      ?             ?      
1 1 1 28 6  63 o 1.730000       1.320000      ?             ?      
1 1 1 28 6  64 o -0.6510000     1.393000      ?             ?      
1 1 1 28 6  65 o 3.911000       1.613000      ?             ?      
1 1 1 28 6  66 o -1.409000      1.581000      ?             ?      
1 1 1 28 7  0  o 1.926000       1.582000      194.5236      -0.0   
1 1 1 28 7  1  o 0.4319000      1.105000      178.6716      -41.1  
1 1 1 28 7  2  o 0.6223000      1.080000      220.5671      146.1  
1 1 1 28 7  3  o 2.927000       1.148000      301.0716      21.2   
1 1 1 28 7  4  o 4.679000       1.256000      295.7429      132.2  
1 1 1 28 7  5  o 1.337000       1.127000      163.8498      -99.0  
1 1 1 28 7  6  o 1.477000       1.119000      38.74703      -92.6  
1 1 1 28 7  7  o 1.008000       1.125000      29.58668      59.3   
1 1 1 28 7  8  o 5.007000       1.136000      477.3231      160.2  
1 1 1 28 7  9  o -0.2628000     1.099000      108.3575      -84.4  
1 1 1 28 7  10 o 2.751000       1.112000      369.1313      102.6  
1 1 1 28 7  11 o 3.323000       1.091000      308.4263      -128.1 
1 1 1 28 7  12 o 0.9086000      1.071000      223.5292      -153.7 
1 1 1 28 7  13 o 6.096000       1.086000      346.3542      139.2  
1 1 1 28 7  14 o 2.650000       1.069000      401.5358      72.4   
1 1 1 28 7  15 o 3.470000       1.053000      343.1528      -99.7  
1 1 1 28 7  16 o 1.239000       1.033000      182.5982      -34.1  
1 1 1 28 7  17 o 6.115000       1.078000      415.6333      -176.2 
1 1 1 28 7  18 o -0.9377000     1.063000      148.6442      39.1   
1 1 1 28 7  19 o 2.120000       1.059000      338.8864      137.5  
1 1 1 28 7  20 o 0.4144000      1.027000      141.9191      -170.3 
1 1 1 28 7  21 o -0.3999000E-01 1.185000      37.51503      164.4  
1 1 1 28 7  22 o -1.376000      1.193000      87.34663      -111.3 
1 1 1 28 7  23 o 0.1208000      1.076000      175.4137      158.2  
1 1 1 28 7  24 o 0.8943000      1.132000      266.1220      108.0  
1 1 1 28 7  25 o 0.2490000      1.113000      72.98634      -17.7  
1 1 1 28 7  26 o 0.5353000      1.182000      334.7139      98.3   
1 1 1 28 7  27 o -0.6452000     1.429000      185.2255      30.3   
1 1 1 28 7  28 o 2.854000       1.272000      214.1563      79.4   
1 1 1 28 7  29 o -0.2220000     1.201000      67.52911      -6.4   
1 1 1 28 7  30 o 0.7407000      1.193000      162.9093      82.4   
1 1 1 28 7  31 o 2.259000       1.282000      357.0068      9.9    
1 1 1 28 7  32 o -0.7356000     1.280000      64.91965      137.2  
1 1 1 28 7  33 o 4.938000       1.464000      444.6804      18.7   
1 1 1 28 7  34 o 5.469000       1.415000      339.2379      14.3   
1 1 1 28 7  35 o 3.392000       1.579000      137.1232      48.0   
1 1 1 28 7  36 o 3.225000       1.331000      143.8443      34.0   
1 1 1 28 7  37 o -0.8234000     1.319000      107.5782      10.4   
1 1 1 28 7  38 o -0.8708000     1.217000      105.9713      -141.0 
1 1 1 28 7  39 f 3.560000       1.271000      302.2217      -55.8  
1 1 1 28 7  40 o -1.114000      1.283000      146.6529      -40.6  
1 1 1 28 7  41 o -0.5790000E-01 1.302000      82.19471      -45.5  
1 1 1 28 7  42 o 5.020000       1.330000      313.1005      131.7  
1 1 1 28 7  43 o 1.713000       1.292000      177.5262      -176.3 
1 1 1 28 7  44 o 0.4069000      1.287000      235.8066      134.2  
1 1 1 28 7  45 o 0.2300000      1.288000      84.73746      137.3  
1 1 1 28 7  46 o 0.2905000E-01  1.306000      16.32499      -140.9 
1 1 1 28 7  47 o 1.660000       1.436000      47.62570      -174.1 
1 1 1 28 7  48 o 0.9308000E-01  1.587000      ?             ?      
1 1 1 28 7  49 o 1.732000       1.533000      ?             ?      
1 1 1 28 7  50 o 0.8068000      1.349000      ?             ?      
1 1 1 28 7  51 o -0.8350000E-02 1.221000      ?             ?      
1 1 1 28 7  52 o -0.8215000     1.369000      ?             ?      
1 1 1 28 7  53 o -0.7198000     1.357000      ?             ?      
1 1 1 28 7  54 o -0.5438000     1.301000      ?             ?      
1 1 1 28 7  55 o -1.868000      1.745000      ?             ?      
1 1 1 28 7  56 o 2.694000       1.501000      ?             ?      
1 1 1 28 7  57 o 0.5077000      1.411000      ?             ?      
1 1 1 28 7  58 o -1.471000      1.278000      ?             ?      
1 1 1 28 7  59 o 2.105000       1.231000      ?             ?      
1 1 1 28 7  60 o -1.538000      1.205000      ?             ?      
1 1 1 28 7  61 o -1.575000      1.220000      ?             ?      
1 1 1 28 7  62 o 1.488000       1.243000      ?             ?      
1 1 1 28 7  63 o -0.4071000     1.383000      ?             ?      
1 1 1 28 7  64 o 0.4257000      1.417000      ?             ?      
1 1 1 28 7  65 o 0.1953000      1.478000      ?             ?      
1 1 1 28 7  66 o 0.2345000      1.977000      ?             ?      
1 1 1 28 8  0  o 0.3801000      1.575000      9.801569      0.0    
1 1 1 28 8  1  o 0.7847000      1.096000      44.08794      105.8  
1 1 1 28 8  2  o -0.8068000     1.062000      155.5691      39.4   
1 1 1 28 8  3  o -0.3066000     1.112000      111.0477      17.7   
1 1 1 28 8  4  o -0.5275000     1.127000      111.0432      -45.5  
1 1 1 28 8  5  o 1.130000       1.120000      289.1650      172.0  
1 1 1 28 8  6  o -0.7114000     1.124000      135.9061      -25.0  
1 1 1 28 8  7  o 2.776000       1.140000      460.0321      -96.3  
1 1 1 28 8  8  o 3.142000       1.151000      265.5930      64.3   
1 1 1 28 8  9  o 1.646000       1.124000      265.5145      -134.2 
1 1 1 28 8  10 o -0.7492000     1.106000      46.38367      79.7   
1 1 1 28 8  11 o 1.161000       1.150000      111.7086      -159.3 
1 1 1 28 8  12 o 0.6614000      1.079000      164.4504      153.1  
1 1 1 28 8  13 o 2.982000       1.070000      111.8884      46.8   
1 1 1 28 8  14 o -0.3559000     1.055000      178.0657      25.2   
1 1 1 28 8  15 o 0.7496000      1.047000      108.5088      -3.3   
1 1 1 28 8  16 o -0.1737000     1.030000      54.27827      46.7   
1 1 1 28 8  17 o 0.4951000      1.054000      163.5677      73.7   
1 1 1 28 8  18 o -0.3422000     1.168000      149.7001      77.1   
1 1 1 28 8  19 o 6.337000       1.222000      341.6956      149.9  
1 1 1 28 8  20 o 0.1962000      1.085000      75.94175      -91.7  
1 1 1 28 8  21 o -1.176000      1.134000      82.86308      -89.8  
1 1 1 28 8  22 o 2.862000       1.123000      199.3758      85.7   
1 1 1 28 8  23 o -1.209000      1.043000      47.64341      47.3   
1 1 1 28 8  24 o -0.7638000     1.046000      90.97506      35.9   
1 1 1 28 8  25 o 0.3666000      1.153000      240.8755      164.4  
1 1 1 28 8  26 o -2.032000      1.289000      84.81245      -36.7  
1 1 1 28 8  27 o 1.412000       1.346000      180.5746      -61.7  
1 1 1 28 8  28 o -0.7399000     1.256000      181.9957      113.0  
1 1 1 28 8  29 o 1.948000       1.157000      100.8862      172.1  
1 1 1 28 8  30 o 0.5116000      1.271000      167.3827      91.9   
1 1 1 28 8  31 o 1.443000       1.194000      118.4012      156.6  
1 1 1 28 8  32 o -0.7932000     1.289000      195.7899      140.6  
1 1 1 28 8  33 o -1.075000      1.213000      62.03993      -63.1  
1 1 1 28 8  34 o 2.349000       1.459000      101.5010      68.4   
1 1 1 28 8  35 o 2.048000       1.298000      187.3881      5.5    
1 1 1 28 8  36 o -0.7611000     1.426000      172.6008      95.1   
1 1 1 28 8  37 o 1.792000       1.318000      226.8383      -140.8 
1 1 1 28 8  38 o 1.575000       1.250000      142.6548      157.3  
1 1 1 28 8  39 o 2.169000       1.259000      40.61736      19.9   
1 1 1 28 8  40 o 0.6180000      1.275000      219.4816      109.4  
1 1 1 28 8  41 o 0.4691000E-01  1.282000      218.4349      73.6   
1 1 1 28 8  42 o 1.354000       1.301000      141.1143      -144.7 
1 1 1 28 8  43 o 1.762000       1.291000      309.0844      -156.2 
1 1 1 28 8  44 o 0.7027000      1.295000      100.0177      -14.9  
1 1 1 28 8  45 o 2.155000       1.304000      117.3343      -159.1 
1 1 1 28 8  46 o -2.044000      1.860000      47.21322      -1.8   
1 1 1 28 8  47 o 0.1649000E-02  1.441000      138.7318      94.5   
1 1 1 28 8  48 o 1.033000       1.481000      ?             ?      
1 1 1 28 8  49 o 1.930000       1.424000      ?             ?      
1 1 1 28 8  50 o 0.9274000      1.341000      ?             ?      
1 1 1 28 8  51 o 2.000000       1.230000      ?             ?      
1 1 1 28 8  52 o -1.002000      1.215000      ?             ?      
1 1 1 28 8  53 o 0.9421000      1.356000      ?             ?      
1 1 1 28 8  54 o -0.9052000     1.462000      ?             ?      
1 1 1 28 8  55 o -2.394000      1.323000      ?             ?      
1 1 1 28 8  56 o 0.2242000      1.282000      ?             ?      
1 1 1 28 8  57 o 1.644000       1.391000      ?             ?      
1 1 1 28 8  58 o 0.9523000      1.314000      ?             ?      
1 1 1 28 8  59 o -2.062000      1.218000      ?             ?      
1 1 1 28 8  60 o 0.5115000      1.287000      ?             ?      
1 1 1 28 8  61 o -0.9416000     1.226000      ?             ?      
1 1 1 28 8  62 o -1.311000      1.241000      ?             ?      
1 1 1 28 8  63 o -0.5877000     1.392000      ?             ?      
1 1 1 28 8  64 o -0.1059000     2.215000      ?             ?      
1 1 1 28 8  65 o -0.7164000     1.553000      ?             ?      
1 1 1 28 8  66 o 0.3065000      1.398000      ?             ?      
1 1 1 28 9  0  o 0.8799000      1.561000      215.4348      180.0  
1 1 1 28 9  1  o -0.9103000     1.083000      184.1755      -141.5 
1 1 1 28 9  2  o -2.666000      1.155000      87.51416      73.0   
1 1 1 28 9  3  o -0.5130000     1.123000      280.2311      91.0   
1 1 1 28 9  4  o -0.3817000E-01 1.139000      181.2800      175.6  
1 1 1 28 9  5  o -1.289000      1.104000      220.7115      -71.0  
1 1 1 28 9  6  o 0.2001000      1.112000      276.3247      -55.4  
1 1 1 28 9  7  o 1.519000       1.120000      263.0046      156.2  
1 1 1 28 9  8  o -0.3532000     1.125000      187.3262      -91.1  
1 1 1 28 9  9  o -2.436000      1.304000      151.3465      -101.1 
1 1 1 28 9  10 o 0.1268000      1.119000      82.99412      -75.5  
1 1 1 28 9  11 o 5.129000       1.156000      316.2778      -154.6 
1 1 1 28 9  12 o 0.5778000      1.075000      98.92168      -117.9 
1 1 1 28 9  13 o -1.241000      1.049000      209.8905      97.8   
1 1 1 28 9  14 o 0.4814000      1.073000      76.38293      -53.3  
1 1 1 28 9  15 o 1.161000       1.063000      158.9267      -124.2 
1 1 1 28 9  16 o 0.6962000      1.155000      57.97154      50.3   
1 1 1 28 9  17 o 0.6339000      1.050000      121.8148      -145.4 
1 1 1 28 9  18 o -2.077000      1.055000      68.71980      41.3   
1 1 1 28 9  19 o 1.024000       1.136000      217.8388      152.8  
1 1 1 28 9  20 o -0.9118000     1.060000      55.45637      -156.0 
1 1 1 28 9  21 o 0.5931000      1.030000      147.3955      27.1   
1 1 1 28 9  22 o 1.109000       1.031000      115.2128      159.8  
1 1 1 28 9  23 o 2.316000       1.053000      24.91959      55.9   
1 1 1 28 9  24 o 4.431000       1.206000      236.0836      64.1   
1 1 1 28 9  25 o 0.7104000E-01  1.170000      67.80732      12.9   
1 1 1 28 9  26 o -2.068000      1.535000      43.41399      23.3   
1 1 1 28 9  27 o -0.9962000     1.312000      64.69177      -22.2  
1 1 1 28 9  28 o 0.4415000      1.258000      143.0827      130.8  
1 1 1 28 9  29 o 1.584000       1.216000      50.54934      -66.5  
1 1 1 28 9  30 o 0.9592000      1.450000      89.61174      -70.4  
1 1 1 28 9  31 o 1.479000       1.200000      71.05172      53.1   
1 1 1 28 9  32 o -0.4381000     1.279000      134.2242      104.9  
1 1 1 28 9  33 o 3.917000       1.280000      218.8746      -2.8   
1 1 1 28 9  34 o -0.7453000     1.465000      227.0831      34.9   
1 1 1 28 9  35 o -0.8921000     1.316000      68.67288      -33.4  
1 1 1 28 9  36 o 1.664000       1.427000      69.91392      -178.4 
1 1 1 28 9  37 o -2.121000      1.315000      62.83353      -153.5 
1 1 1 28 9  38 o 1.118000       1.338000      188.2447      -31.9  
1 1 1 28 9  39 o -2.189000      1.260000      109.3697      -144.0 
1 1 1 28 9  40 o 0.1239000      1.274000      42.34380      82.9   
1 1 1 28 9  41 o 0.3653000      1.275000      86.08114      103.0  
1 1 1 28 9  42 o -0.6366000E-02 1.281000      74.80927      -169.9 
1 1 1 28 9  43 o -0.2696000     1.293000      37.68807      98.1   
1 1 1 28 9  44 o 0.6711000      1.305000      149.3530      86.2   
1 1 1 28 9  45 o -0.1192000     1.300000      95.26369      65.0   
1 1 1 28 9  46 o 1.263000       1.398000      44.27098      172.2  
1 1 1 28 9  47 o -0.8954000     1.481000      99.79374      -160.9 
1 1 1 28 9  48 o 1.505000       1.518000      ?             ?      
1 1 1 28 9  49 o -0.8494000     1.327000      ?             ?      
1 1 1 28 9  50 o 1.200000       1.235000      ?             ?      
1 1 1 28 9  51 o 1.837000       1.230000      ?             ?      
1 1 1 28 9  52 o -0.4203000     1.202000      ?             ?      
1 1 1 28 9  53 o -0.9496000E-01 1.361000      ?             ?      
1 1 1 28 9  54 o -0.7947000     1.454000      ?             ?      
1 1 1 28 9  55 o 2.079000       1.306000      ?             ?      
1 1 1 28 9  56 o -1.530000      1.272000      ?             ?      
1 1 1 28 9  57 o 2.724000       1.381000      ?             ?      
1 1 1 28 9  58 o -0.5209000     1.298000      ?             ?      
1 1 1 28 9  59 o -0.1898000     1.231000      ?             ?      
1 1 1 28 9  60 o 0.1919000      1.310000      ?             ?      
1 1 1 28 9  61 o -0.3769000     1.230000      ?             ?      
1 1 1 28 9  62 o 1.706000       1.320000      ?             ?      
1 1 1 28 9  63 o 1.454000       1.943000      ?             ?      
1 1 1 28 9  64 o -1.071000      1.445000      ?             ?      
1 1 1 28 9  65 o 0.4407000      1.400000      ?             ?      
1 1 1 28 9  66 o -1.425000      1.502000      ?             ?      
1 1 1 28 10 0  o 1.316000       1.559000      300.2554      0.0    
1 1 1 28 10 1  o 1.837000       1.110000      133.4025      -111.3 
1 1 1 28 10 2  f -0.9453000     1.136000      126.4687      -66.3  
1 1 1 28 10 3  o -0.4881000     1.102000      104.6227      -3.4   
1 1 1 28 10 4  o 0.8388000      1.106000      206.1744      -118.1 
1 1 1 28 10 5  o -1.894000      1.136000      110.6399      47.6   
1 1 1 28 10 6  o -0.2222000     1.092000      37.01568      69.1   
1 1 1 28 10 7  o 0.3779000      1.084000      179.4242      -22.6  
1 1 1 28 10 8  o -2.705000      1.109000      182.9653      -153.3 
1 1 1 28 10 9  o -1.297000      1.122000      103.5129      24.5   
1 1 1 28 10 10 o -0.1824000     1.118000      93.92850      -3.7   
1 1 1 28 10 11 o -0.1822000     1.139000      117.9605      -99.6  
1 1 1 28 10 12 o 0.8080000E-02  1.120000      64.63752      -51.2  
1 1 1 28 10 13 o -0.9261000     1.162000      205.9948      125.8  
1 1 1 28 10 14 o 1.503000       1.189000      148.2335      -33.7  
1 1 1 28 10 15 o 0.3704000      1.096000      159.0326      45.5   
1 1 1 28 10 16 o -1.826000      1.186000      90.26263      38.2   
1 1 1 28 10 17 o 1.593000       1.117000      128.6245      -149.9 
1 1 1 28 10 18 o 0.7080000      1.041000      152.7118      165.1  
1 1 1 28 10 19 o -0.6080000     1.060000      36.47986      -155.5 
1 1 1 28 10 20 o -1.615000      1.048000      47.55566      88.7   
1 1 1 28 10 21 o -0.8814000     1.046000      174.3995      -104.5 
1 1 1 28 10 22 o 0.4926000      1.034000      57.21046      161.5  
1 1 1 28 10 23 o 0.9884000      1.052000      59.29090      154.8  
1 1 1 28 10 24 o 0.1458000      1.258000      100.5430      169.4  
1 1 1 28 10 25 o 1.250000       1.284000      89.70372      121.6  
1 1 1 28 10 26 o -1.037000      1.394000      60.14447      22.4   
1 1 1 28 10 27 o 0.1859000      1.343000      58.34815      -16.3  
1 1 1 28 10 28 o -0.2297000     1.105000      91.06802      39.3   
1 1 1 28 10 29 o 1.620000       1.141000      211.1949      -102.4 
1 1 1 28 10 30 o 0.6276000      1.120000      143.4660      103.6  
1 1 1 28 10 31 o 2.537000       1.230000      146.8662      153.2  
1 1 1 28 10 32 o -1.131000      1.220000      34.72250      -108.9 
1 1 1 28 10 33 o -2.856000      1.335000      96.62856      98.8   
1 1 1 28 10 34 o -0.1506000     1.270000      78.12186      78.0   
1 1 1 28 10 35 o 2.201000       1.329000      45.84619      33.6   
1 1 1 28 10 36 o -0.4721000     1.316000      67.92579      116.2  
1 1 1 28 10 37 o 1.309000       1.448000      102.9892      -126.1 
1 1 1 28 10 38 o 0.1468000      1.730000      126.3535      96.9   
1 1 1 28 10 39 o 0.3421000      1.275000      111.2862      83.6   
1 1 1 28 10 40 o -0.3168000     1.277000      16.91346      135.4  
1 1 1 28 10 41 o -0.3145000     1.284000      40.05013      112.5  
1 1 1 28 10 42 o 0.6043000      1.271000      141.5505      -118.1 
1 1 1 28 10 43 o -1.391000      1.292000      114.7859      -154.1 
1 1 1 28 10 44 o 0.8003000      1.290000      34.87505      176.6  
1 1 1 28 10 45 o 0.4510000      1.288000      58.78350      -109.1 
1 1 1 28 10 46 o 0.9251000      1.374000      59.92705      49.0   
1 1 1 28 10 47 o -1.884000      1.563000      33.17745      77.8   
1 1 1 28 10 48 o 0.4841000      1.406000      ?             ?      
1 1 1 28 10 49 o -0.1252000     1.316000      ?             ?      
1 1 1 28 10 50 o 0.3853000      1.210000      ?             ?      
1 1 1 28 10 51 o 0.5095000      1.210000      ?             ?      
1 1 1 28 10 52 o -0.7728000     1.192000      ?             ?      
1 1 1 28 10 53 o 1.298000       1.366000      ?             ?      
1 1 1 28 10 54 o 0.9740000      1.373000      ?             ?      
1 1 1 28 10 55 o -0.7908000     1.300000      ?             ?      
1 1 1 28 10 56 o 0.2917000E-01  1.304000      ?             ?      
1 1 1 28 10 57 o -1.517000      1.284000      ?             ?      
1 1 1 28 10 58 o 1.362000       1.297000      ?             ?      
1 1 1 28 10 59 o -0.5302000     1.219000      ?             ?      
1 1 1 28 10 60 o 2.101000       1.237000      ?             ?      
1 1 1 28 10 61 o -0.4261000     1.237000      ?             ?      
1 1 1 28 10 62 o 0.2402000      1.558000      ?             ?      
1 1 1 28 10 63 o -0.1747000     1.546000      ?             ?      
1 1 1 28 10 64 o 1.380000       1.529000      ?             ?      
1 1 1 28 10 65 o -0.1484000     1.444000      ?             ?      
1 1 1 28 11 0  o -0.7117000     1.526000      267.5373      180.0  
1 1 1 28 11 1  o 2.291000       1.251000      111.5565      43.6   
1 1 1 28 11 2  o -3.197000      1.102000      92.69170      -83.7  
1 1 1 28 11 3  o -0.5532000     1.087000      129.4673      -54.0  
1 1 1 28 11 4  o -1.698000      1.089000      148.1531      -56.7  
1 1 1 28 11 5  o -1.383000      1.114000      92.75282      -23.7  
1 1 1 28 11 6  o -1.284000      1.106000      70.80944      1.3    
1 1 1 28 11 7  o -1.547000      1.069000      23.81743      -24.2  
1 1 1 28 11 8  o -0.2323000     1.093000      109.3446      107.0  
1 1 1 28 11 9  o -1.916000      1.127000      72.45981      -133.8 
1 1 1 28 11 10 o -2.330000      1.119000      37.83544      120.9  
1 1 1 28 11 11 o -3.365000      1.226000      76.77960      -11.9  
1 1 1 28 11 12 o 0.9478000E-01  1.073000      88.94228      -64.9  
1 1 1 28 11 13 o 0.8305000E-01  1.179000      61.07056      26.9   
1 1 1 28 11 14 o -0.5649000     1.160000      77.28963      -112.7 
1 1 1 28 11 15 o -1.165000      1.089000      118.7457      -179.3 
1 1 1 28 11 16 o -1.321000      1.053000      132.5476      83.5   
1 1 1 28 11 17 o 0.1048000      1.035000      190.1831      -38.7  
1 1 1 28 11 18 o -2.103000      1.072000      108.8321      -12.7  
1 1 1 28 11 19 o 0.5267000      1.053000      61.77139      20.0   
1 1 1 28 11 20 o 0.4924000      1.058000      64.86990      -54.5  
1 1 1 28 11 21 o 1.324000       1.115000      78.56946      -132.0 
1 1 1 28 11 22 o 1.145000       1.123000      181.5477      -162.4 
1 1 1 28 11 23 o 0.2187000      1.138000      127.7169      -50.2  
1 1 1 28 11 24 o -2.288000      1.284000      116.4440      153.4  
1 1 1 28 11 25 o -1.372000      1.580000      40.75346      -76.1  
1 1 1 28 11 26 o -0.4470000     1.196000      107.5347      -121.3 
1 1 1 28 11 27 o -0.7129000     1.191000      72.84180      -164.0 
1 1 1 28 11 28 o -0.9554000     1.073000      114.5190      91.7   
1 1 1 28 11 29 o -0.9958000     1.094000      75.12571      -80.2  
1 1 1 28 11 30 o 1.154000       1.095000      36.81084      49.6   
1 1 1 28 11 31 o 0.1922000      1.186000      54.71091      104.1  
1 1 1 28 11 32 o -1.136000      1.258000      22.08839      92.0   
1 1 1 28 11 33 o -0.1606000     1.359000      76.77759      -8.9   
1 1 1 28 11 34 o -0.2881000     1.274000      132.7348      -0.5   
1 1 1 28 11 35 o -0.2986000     1.286000      117.2944      -130.2 
1 1 1 28 11 36 o 0.9166000      1.314000      49.64450      -147.6 
1 1 1 28 11 37 o -1.410000      1.429000      115.8417      -144.4 
1 1 1 28 11 38 o 0.7455000      1.325000      67.17265      -102.0 
1 1 1 28 11 39 o 1.139000       1.381000      62.75911      -65.8  
1 1 1 28 11 40 o 0.2336000      1.276000      36.94221      -19.1  
1 1 1 28 11 41 o 1.220000       1.279000      70.91096      -4.8   
1 1 1 28 11 42 o 1.908000       1.289000      46.76365      108.8  
1 1 1 28 11 43 o -0.9898000     1.284000      128.2085      84.3   
1 1 1 28 11 44 o -0.7907000     1.270000      32.68583      28.0   
1 1 1 28 11 45 o 1.255000       1.370000      51.29631      156.4  
1 1 1 28 11 46 o -0.2038000     1.430000      30.68295      153.9  
1 1 1 28 11 47 o 0.4131000      1.526000      ?             ?      
1 1 1 28 11 48 o -0.5871000     1.376000      ?             ?      
1 1 1 28 11 49 o -0.4102000     1.215000      ?             ?      
1 1 1 28 11 50 o 0.2654000      1.203000      ?             ?      
1 1 1 28 11 51 o 0.4195000E-02  1.196000      ?             ?      
1 1 1 28 11 52 o 0.2754000      1.196000      ?             ?      
1 1 1 28 11 53 o -0.8066000     1.190000      ?             ?      
1 1 1 28 11 54 o -1.969000      1.371000      ?             ?      
1 1 1 28 11 55 o 0.2410000E-01  1.453000      ?             ?      
1 1 1 28 11 56 o 1.086000       1.294000      ?             ?      
1 1 1 28 11 57 o 1.561000       1.291000      ?             ?      
1 1 1 28 11 58 o 0.3462000E-01  1.364000      ?             ?      
1 1 1 28 11 59 o -1.152000      1.288000      ?             ?      
1 1 1 28 11 60 o 1.365000       1.222000      ?             ?      
1 1 1 28 11 61 o 1.186000       1.232000      ?             ?      
1 1 1 28 11 62 o -1.171000      1.357000      ?             ?      
1 1 1 28 11 63 o 0.5721000      1.423000      ?             ?      
1 1 1 28 11 64 o 0.2450000      1.419000      ?             ?      
1 1 1 28 11 65 o -1.702000      1.390000      ?             ?      
1 1 1 28 12 0  o -3.812000      1.469000      62.78187      180.0  
1 1 1 28 12 1  o -2.220000      1.081000      93.23528      -120.9 
1 1 1 28 12 2  o -0.1854000     1.095000      176.5148      131.2  
1 1 1 28 12 3  o -0.2907000     1.065000      6.871823      -153.8 
1 1 1 28 12 4  o -2.908000      1.069000      99.55280      18.8   
1 1 1 28 12 5  o -1.016000      1.087000      94.36309      -40.6  
1 1 1 28 12 6  o -1.181000      1.100000      70.82621      137.7  
1 1 1 28 12 7  o 0.1351000      1.109000      36.94403      111.3  
1 1 1 28 12 8  o -2.198000      1.061000      74.92915      107.3  
1 1 1 28 12 9  o -0.4196000     1.071000      20.63301      158.7  
1 1 1 28 12 10 o -1.775000      1.100000      156.3365      77.4   
1 1 1 28 12 11 o -2.530000      1.160000      95.57249      -145.1 
1 1 1 28 12 12 o -0.9927000E-01 1.132000      135.9988      29.3   
1 1 1 28 12 13 o -0.2173000E-01 1.095000      96.51505      167.3  
1 1 1 28 12 14 o -0.9121000     1.055000      59.09201      142.9  
1 1 1 28 12 15 o -0.8547000     1.061000      148.9040      -131.3 
1 1 1 28 12 16 o -0.3459000     1.057000      50.13026      -96.1  
1 1 1 28 12 17 o -1.990000      1.044000      15.70439      147.3  
1 1 1 28 12 18 o -0.4966000     1.068000      204.1716      -139.0 
1 1 1 28 12 19 o 0.2881000      1.474000      55.75998      116.2  
1 1 1 28 12 20 f 0.3373000      1.121000      106.5377      -43.0  
1 1 1 28 12 21 o 0.4223000      1.140000      181.1443      -69.9  
1 1 1 28 12 22 o -0.7928000E-01 1.156000      39.06754      -8.4   
1 1 1 28 12 23 o -0.2657000     1.177000      76.88806      -43.6  
1 1 1 28 12 24 o -0.7870000     1.275000      102.8721      -62.4  
1 1 1 28 12 25 o 1.369000       1.290000      50.66642      83.3   
1 1 1 28 12 26 o -0.4477000     1.205000      66.94540      78.9   
1 1 1 28 12 27 o 1.126000       1.065000      40.92099      48.3   
1 1 1 28 12 28 o -0.7929000     1.060000      69.34509      -86.1  
1 1 1 28 12 29 o -1.194000      1.063000      123.7419      -134.5 
1 1 1 28 12 30 o -0.5581000     1.079000      107.0281      160.0  
1 1 1 28 12 31 o 0.7037000      1.121000      33.02771      12.0   
1 1 1 28 12 32 o -0.7646000     1.236000      139.6784      -0.5   
1 1 1 28 12 33 o -1.758000      1.389000      120.6351      175.8  
1 1 1 28 12 34 o -1.595000      1.292000      47.62642      38.9   
1 1 1 28 12 35 o -0.3941000     1.299000      129.2568      -39.2  
1 1 1 28 12 36 o 1.470000       1.353000      82.81992      -96.5  
1 1 1 28 12 37 o 1.308000       1.352000      52.29978      -49.5  
1 1 1 28 12 38 o -1.899000      1.451000      89.58661      5.6    
1 1 1 28 12 39 o -0.9905000     1.351000      91.64127      137.2  
1 1 1 28 12 40 o -1.836000      1.265000      76.59838      154.8  
1 1 1 28 12 41 o 2.054000       1.280000      106.4632      -146.9 
1 1 1 28 12 42 o 0.4133000      1.289000      172.6346      134.8  
1 1 1 28 12 43 o -0.2517000     1.275000      34.61316      -32.1  
1 1 1 28 12 44 o -2.852000      1.278000      51.26648      147.7  
1 1 1 28 12 45 o 0.6855000      1.376000      72.44380      179.5  
1 1 1 28 12 46 o -1.406000      1.542000      69.47966      -105.0 
1 1 1 28 12 47 o -0.1860000     1.399000      ?             ?      
1 1 1 28 12 48 o -2.563000      1.294000      ?             ?      
1 1 1 28 12 49 o -0.7784000     1.193000      ?             ?      
1 1 1 28 12 50 o 0.3786000E-01  1.189000      ?             ?      
1 1 1 28 12 51 o 0.8455000      1.186000      ?             ?      
1 1 1 28 12 52 o -1.083000      1.183000      ?             ?      
1 1 1 28 12 53 f 0.7427000      1.195000      ?             ?      
1 1 1 28 12 54 o -0.8341000     1.379000      ?             ?      
1 1 1 28 12 55 o -0.2039000     1.466000      ?             ?      
1 1 1 28 12 56 o 0.5430000      1.286000      ?             ?      
1 1 1 28 12 57 o -0.8590000     1.191000      ?             ?      
1 1 1 28 12 58 o 0.8921000      1.297000      ?             ?      
1 1 1 28 12 59 o -0.7730000E-01 1.313000      ?             ?      
1 1 1 28 12 60 o 0.6952000      1.234000      ?             ?      
1 1 1 28 12 61 o 1.488000       1.367000      ?             ?      
1 1 1 28 12 62 o -0.5836000     1.426000      ?             ?      
1 1 1 28 12 63 o 0.2498000      1.504000      ?             ?      
1 1 1 28 12 64 o 1.257000       1.368000      ?             ?      
1 1 1 28 12 65 o -1.232000      1.270000      ?             ?      
1 1 1 28 13 0  f -1.466000      1.446000      206.4633      -0.0   
1 1 1 28 13 1  o 1.488000       1.047000      190.1211      -82.8  
1 1 1 28 13 2  o -1.207000      1.055000      196.4920      -33.3  
1 1 1 28 13 3  o -1.775000      1.049000      102.3298      8.7    
1 1 1 28 13 4  o -2.612000      1.090000      223.2903      3.2    
1 1 1 28 13 5  f -1.216000      1.069000      145.3976      -124.0 
1 1 1 28 13 6  o 1.479000       1.069000      163.7343      -2.5   
1 1 1 28 13 7  o -1.248000      1.062000      127.6704      139.4  
1 1 1 28 13 8  o -0.3569000     1.160000      17.09991      155.6  
1 1 1 28 13 9  o 0.4934000      1.132000      232.6599      -94.7  
1 1 1 28 13 10 o 1.093000       1.068000      223.5260      9.8    
1 1 1 28 13 11 o -1.449000      1.060000      30.87766      33.4   
1 1 1 28 13 12 o 1.323000       1.066000      143.6745      -78.9  
1 1 1 28 13 13 o -1.102000      1.109000      108.8934      -68.3  
1 1 1 28 13 14 o -2.165000      1.133000      234.8138      -99.5  
1 1 1 28 13 15 o -0.8409000     1.061000      58.82063      140.0  
1 1 1 28 13 16 o 2.648000       1.119000      126.4440      3.0    
1 1 1 28 13 17 o -0.4347000     1.119000      269.7639      -69.3  
1 1 1 28 13 18 o -0.3769000     1.068000      75.23939      101.9  
1 1 1 28 13 19 o -0.2728000     1.117000      243.4559      -60.3  
1 1 1 28 13 20 o -1.181000      1.114000      105.6651      138.7  
1 1 1 28 13 21 o -0.8018000     1.100000      62.79625      -167.3 
1 1 1 28 13 22 o 3.294000       1.228000      255.4595      -156.2 
1 1 1 28 13 23 o -2.600000      1.217000      103.9903      41.6   
1 1 1 28 13 24 o -0.1874000     1.385000      95.95737      151.2  
1 1 1 28 13 25 o 0.4273000      1.219000      122.2086      -81.7  
1 1 1 28 13 26 o 1.056000       1.169000      156.3928      -164.3 
1 1 1 28 13 27 o -1.481000      1.058000      151.8825      85.4   
1 1 1 28 13 28 o -0.8559000     1.054000      122.6420      -109.1 
1 1 1 28 13 29 o 1.743000       1.076000      195.0535      10.2   
1 1 1 28 13 30 o 0.8806000      1.090000      143.5044      116.1  
1 1 1 28 13 31 o 0.5868000      1.104000      243.9888      121.3  
1 1 1 28 13 32 o -1.347000      1.252000      96.24395      -65.6  
1 1 1 28 13 33 o -1.709000      1.296000      153.7601      157.9  
1 1 1 28 13 34 o -1.233000      1.418000      255.3067      49.2   
1 1 1 28 13 35 o -2.529000      1.289000      104.0752      -51.1  
1 1 1 28 13 36 o 0.1249000      1.252000      160.9420      36.6   
1 1 1 28 13 37 o 1.557000       1.377000      220.9286      -175.8 
1 1 1 28 13 38 o -2.185000      1.494000      99.55952      -23.4  
1 1 1 28 13 39 o -0.8089000     1.347000      21.26704      -172.7 
1 1 1 28 13 40 o 0.7347000      1.363000      147.5294      -136.7 
1 1 1 28 13 41 o 0.4704000      1.283000      43.65853      155.0  
1 1 1 28 13 42 o 0.7625000E-01  1.300000      82.84954      -138.2 
1 1 1 28 13 43 o 0.3313000      1.280000      143.1221      -129.7 
1 1 1 28 13 44 o 0.7070000      1.294000      20.85807      -68.7  
1 1 1 28 13 45 o 1.144000       1.421000      57.04532      52.3   
1 1 1 28 13 46 o -0.9881000     1.498000      120.3920      78.6   
1 1 1 28 13 47 o -0.9403000     1.355000      ?             ?      
1 1 1 28 13 48 o 2.197000       1.220000      ?             ?      
1 1 1 28 13 49 o 0.9871000      1.195000      ?             ?      
1 1 1 28 13 50 o -0.1149000     1.185000      ?             ?      
1 1 1 28 13 51 o -0.2360000     1.174000      ?             ?      
1 1 1 28 13 52 o -0.4236000     1.191000      ?             ?      
1 1 1 28 13 53 o 1.458000       1.186000      ?             ?      
1 1 1 28 13 54 o 1.480000       1.224000      ?             ?      
1 1 1 28 13 55 o 1.502000       1.363000      ?             ?      
1 1 1 28 13 56 o -1.414000      1.300000      ?             ?      
1 1 1 28 13 57 o 1.043000       1.296000      ?             ?      
1 1 1 28 13 58 o -0.5719000     1.284000      ?             ?      
1 1 1 28 13 59 o 1.734000       1.394000      ?             ?      
1 1 1 28 13 60 o -0.6026000     1.337000      ?             ?      
1 1 1 28 13 61 o -0.6805000E-01 1.372000      ?             ?      
1 1 1 28 13 62 o -4.348000      1.410000      ?             ?      
1 1 1 28 13 63 o 1.756000       1.889000      ?             ?      
1 1 1 28 13 64 o -0.6986000     1.262000      ?             ?      
1 1 1 28 13 65 o 0.6767000      1.270000      ?             ?      
1 1 1 28 14 0  o 0.3984000      1.596000      84.86971      -0.0   
1 1 1 28 14 1  o -0.4485000     1.056000      43.78571      -142.9 
1 1 1 28 14 2  o 0.9044000      1.077000      212.4015      -144.0 
1 1 1 28 14 3  o -2.733000      1.045000      87.93668      110.0  
1 1 1 28 14 4  o -0.1230000     1.054000      127.9567      13.9   
1 1 1 28 14 5  o -1.182000      1.048000      97.35144      46.3   
1 1 1 28 14 6  o -0.4754000     1.140000      147.9538      162.5  
1 1 1 28 14 7  o -1.683000      1.111000      83.27814      129.9  
1 1 1 28 14 8  o 1.770000       1.056000      150.4782      171.9  
1 1 1 28 14 9  o 0.9961000      1.050000      11.88077      21.6   
1 1 1 28 14 10 o -0.7282000     1.053000      50.89107      -19.5  
1 1 1 28 14 11 o 1.903000       1.071000      213.2164      55.4   
1 1 1 28 14 12 o 1.286000       1.092000      264.2772      76.3   
1 1 1 28 14 13 o 1.123000       1.134000      373.6260      16.2   
1 1 1 28 14 14 o -1.748000      1.129000      292.4976      15.9   
1 1 1 28 14 15 o 2.672000       1.180000      176.6178      45.4   
1 1 1 28 14 16 f 2.550000       1.148000      334.0098      15.6   
1 1 1 28 14 17 o -0.7719000     1.113000      147.9890      3.3    
1 1 1 28 14 18 o -0.5457000E-01 1.071000      16.40940      166.6  
1 1 1 28 14 19 o -0.3174000     1.067000      238.8549      -122.0 
1 1 1 28 14 20 o 8.616000       1.133000      363.1644      -70.9  
1 1 1 28 14 21 o 5.719000       1.200000      395.7889      -62.0  
1 1 1 28 14 22 o -0.5405000     1.221000      72.43517      -45.2  
1 1 1 28 14 23 o -1.900000      1.310000      120.1921      -77.9  
1 1 1 28 14 24 o 1.062000       1.305000      144.5320      -24.6  
1 1 1 28 14 25 o 1.279000       1.188000      102.0732      78.0   
1 1 1 28 14 26 o 3.656000       1.138000      128.0316      78.3   
1 1 1 28 14 27 o -0.3047000     1.046000      152.3901      -68.4  
1 1 1 28 14 28 o 3.304000       1.075000      296.1080      -173.8 
1 1 1 28 14 29 o 0.4207000      1.071000      94.46922      176.2  
1 1 1 28 14 30 o -0.6147000     1.076000      212.0981      94.8   
1 1 1 28 14 31 o 1.240000       1.104000      290.3177      -8.7   
1 1 1 28 14 32 o 1.300000       1.268000      138.2676      -145.0 
1 1 1 28 14 33 o -0.3911000     1.285000      178.4620      148.4  
1 1 1 28 14 34 o 1.293000       1.357000      143.9987      68.1   
1 1 1 28 14 35 o 0.6317000E-01  1.297000      74.80459      -175.5 
1 1 1 28 14 36 o 1.856000       1.334000      107.5089      -40.8  
1 1 1 28 14 37 o 0.2051000      1.397000      81.56738      91.6   
1 1 1 28 14 38 o 4.866000       1.468000      397.1763      -105.8 
1 1 1 28 14 39 o 0.9728000      1.507000      69.36224      79.6   
1 1 1 28 14 40 o -1.312000      1.380000      84.47788      -163.1 
1 1 1 28 14 41 o 0.1094000      1.315000      103.6434      -111.5 
1 1 1 28 14 42 o 0.3997000      1.300000      41.07593      92.0   
1 1 1 28 14 43 o 0.2844000      1.288000      197.3734      -72.2  
1 1 1 28 14 44 o 1.598000       1.423000      160.7473      -163.1 
1 1 1 28 14 45 o -0.2717000     1.501000      93.47903      -156.9 
1 1 1 28 14 46 o -0.8736000     1.377000      ?             ?      
1 1 1 28 14 47 o 0.2214000E-01  1.214000      ?             ?      
1 1 1 28 14 48 o 0.5689000      1.201000      ?             ?      
1 1 1 28 14 49 o -0.7402000     1.185000      ?             ?      
1 1 1 28 14 50 o -0.8984000     1.181000      ?             ?      
1 1 1 28 14 51 o 1.652000       1.184000      ?             ?      
1 1 1 28 14 52 o 1.010000       1.241000      ?             ?      
1 1 1 28 14 53 o 2.202000       1.190000      ?             ?      
1 1 1 28 14 54 o -0.6294000     1.192000      ?             ?      
1 1 1 28 14 55 o 1.327000       1.358000      ?             ?      
1 1 1 28 14 56 o -0.9388000     1.449000      ?             ?      
1 1 1 28 14 57 o 1.087000       1.297000      ?             ?      
1 1 1 28 14 58 o 0.7099000      1.288000      ?             ?      
1 1 1 28 14 59 o 1.463000       1.336000      ?             ?      
1 1 1 28 14 60 o 1.459000       1.361000      ?             ?      
1 1 1 28 14 61 o -0.8719000     1.445000      ?             ?      
1 1 1 28 14 62 o -1.785000      1.472000      ?             ?      
1 1 1 28 14 63 o 0.4406000      1.364000      ?             ?      
1 1 1 28 14 64 o -1.703000      1.261000      ?             ?      
1 1 1 28 15 0  o -3.912000      1.384000      70.05453      -0.0   
1 1 1 28 15 1  o 1.138000       1.025000      86.22115      -153.2 
1 1 1 28 15 2  o 5.023000       1.102000      397.7135      -16.7  
1 1 1 28 15 3  o 2.970000       1.154000      300.6707      45.8   
1 1 1 28 15 4  o -0.5768000E-01 1.092000      184.2222      158.2  
1 1 1 28 15 5  o 3.384000       1.054000      305.9241      -33.5  
1 1 1 28 15 6  o 8.333000       1.092000      274.9373      -30.5  
1 1 1 28 15 7  o 0.6806000      1.062000      47.76604      24.5   
1 1 1 28 15 8  o 1.054000       1.059000      131.8882      139.8  
1 1 1 28 15 9  o 0.7410000      1.056000      192.5149      -117.3 
1 1 1 28 15 10 o -0.4493000     1.104000      125.6527      -11.9  
1 1 1 28 15 11 o 3.700000       1.154000      201.1752      -90.6  
1 1 1 28 15 12 o 6.330000       1.125000      330.0686      165.8  
1 1 1 28 15 13 o -2.216000      1.090000      146.9760      -125.9 
1 1 1 28 15 14 o 0.1997000E-01  1.227000      20.00945      119.1  
1 1 1 28 15 15 o -0.3572000     1.239000      93.03824      128.9  
1 1 1 28 15 16 o 3.704000       1.198000      292.6187      -97.3  
1 1 1 28 15 17 o 1.433000       1.078000      151.0123      75.4   
1 1 1 28 15 18 o 10.69000       1.156000      421.0158      -51.8  
1 1 1 28 15 19 o 1.461000       1.086000      236.4626      20.0   
1 1 1 28 15 20 o 0.9770000      1.085000      242.1275      45.8   
1 1 1 28 15 21 o 2.062000       1.149000      92.18035      -84.6  
1 1 1 28 15 22 o 5.845000       1.237000      373.6764      69.3   
1 1 1 28 15 23 o 1.379000       1.308000      214.2719      57.2   
1 1 1 28 15 24 o 3.939000       1.299000      163.0150      -148.6 
1 1 1 28 15 25 o 1.054000       1.131000      269.7246      -79.4  
1 1 1 28 15 26 o 0.3473000      1.031000      57.09444      -19.1  
1 1 1 28 15 27 o -0.1326000E-01 1.036000      183.7371      24.1   
1 1 1 28 15 28 o 1.755000       1.087000      193.5557      -47.7  
1 1 1 28 15 29 o 2.172000       1.070000      111.3865      -128.6 
1 1 1 28 15 30 o 3.016000       1.067000      98.45789      126.2  
1 1 1 28 15 31 o -0.5569000     1.064000      184.0163      133.5  
1 1 1 28 15 32 o 2.550000       1.146000      165.4871      12.1   
1 1 1 28 15 33 o 0.8016000E-01  1.306000      194.8820      149.0  
1 1 1 28 15 34 o 0.6706000      1.366000      157.5075      -19.5  
1 1 1 28 15 35 o -0.6048000     1.322000      97.05933      -29.7  
1 1 1 28 15 36 o 1.508000       1.350000      173.4690      178.9  
1 1 1 28 15 37 o 1.863000       1.259000      103.7771      -27.5  
1 1 1 28 15 38 o -0.1735000     1.421000      149.8677      -125.0 
1 1 1 28 15 39 o 3.706000       1.462000      297.4359      -35.7  
1 1 1 28 15 40 o 0.9382000      1.404000      95.58588      146.7  
1 1 1 28 15 41 o -0.4878000     1.387000      72.62313      106.2  
1 1 1 28 15 42 o 1.131000       1.293000      79.03986      -42.5  
1 1 1 28 15 43 o 0.9892000      1.283000      45.08183      102.2  
1 1 1 28 15 44 o 1.612000       1.414000      28.72390      11.3   
1 1 1 28 15 45 f 1.939000       1.476000      150.5603      170.9  
1 1 1 28 15 46 o 1.454000       1.345000      ?             ?      
1 1 1 28 15 47 o 0.4152000      1.175000      ?             ?      
1 1 1 28 15 48 o -0.1139000     1.186000      ?             ?      
1 1 1 28 15 49 o 0.2181000      1.193000      ?             ?      
1 1 1 28 15 50 o 3.009000       1.189000      ?             ?      
1 1 1 28 15 51 o 0.5350000      1.176000      ?             ?      
1 1 1 28 15 52 o 1.378000       1.155000      ?             ?      
1 1 1 28 15 53 o 3.877000       1.191000      ?             ?      
1 1 1 28 15 54 o 0.8686000      1.178000      ?             ?      
1 1 1 28 15 55 o -1.212000      1.360000      ?             ?      
1 1 1 28 15 56 o -1.632000      1.355000      ?             ?      
1 1 1 28 15 57 o 0.2190000      1.284000      ?             ?      
1 1 1 28 15 58 o 0.1421000      1.210000      ?             ?      
1 1 1 28 15 59 o 0.2598000      1.325000      ?             ?      
1 1 1 28 15 60 o 1.416000       1.630000      ?             ?      
1 1 1 28 15 61 o -0.6050000     1.744000      ?             ?      
1 1 1 28 15 62 o 3.327000       1.425000      ?             ?      
1 1 1 28 15 63 o 1.402000       1.286000      ?             ?      
1 1 1 28 15 64 o 1.634000       1.276000      ?             ?      
1 1 1 28 16 0  o -2.564000      1.535000      147.8122      -180.0 
1 1 1 28 16 1  o 0.5703000E-01  1.104000      227.8798      112.0  
1 1 1 28 16 2  o 7.778000       1.067000      484.3756      -159.5 
1 1 1 28 16 3  o -0.2262000     1.065000      106.4286      164.6  
1 1 1 28 16 4  o 2.560000       1.059000      373.4944      89.8   
1 1 1 28 16 5  o 2.264000       1.048000      286.9717      -37.8  
1 1 1 28 16 6  o 3.641000       1.087000      204.5028      79.6   
1 1 1 28 16 7  o 1.145000       1.129000      306.4218      -152.8 
1 1 1 28 16 8  o 4.502000       1.157000      339.3846      -49.4  
1 1 1 28 16 9  o 1.510000       1.092000      101.8521      78.0   
1 1 1 28 16 10 o 6.259000       1.104000      424.6265      -40.4  
1 1 1 28 16 11 o -1.426000      1.140000      127.0186      -15.2  
1 1 1 28 16 12 o 4.982000       1.190000      358.9770      21.7   
1 1 1 28 16 13 o 0.9719000E-01  1.056000      81.65395      50.7   
1 1 1 28 16 14 o 7.240000       1.136000      391.5616      76.3   
1 1 1 28 16 15 o 18.93000       1.247000      545.1125      69.4   
1 1 1 28 16 16 o -1.530000      1.087000      118.7380      5.0    
1 1 1 28 16 17 o 8.780000       1.136000      325.5573      27.5   
1 1 1 28 16 18 o 2.438000       1.091000      205.9330      73.0   
1 1 1 28 16 19 o 3.479000       1.096000      254.4687      72.5   
1 1 1 28 16 20 o 1.314000       1.159000      120.5282      102.7  
1 1 1 28 16 21 o 0.2246000      1.131000      113.2733      -124.9 
1 1 1 28 16 22 o -0.3774000E-01 1.240000      97.26025      -123.3 
1 1 1 28 16 23 o -0.1785000E-01 1.271000      160.4057      169.5  
1 1 1 28 16 24 o 6.341000       1.225000      241.0280      -17.2  
1 1 1 28 16 25 o 7.194000       1.155000      307.1166      92.5   
1 1 1 28 16 26 o 2.781000       1.036000      157.8096      110.8  
1 1 1 28 16 27 o 4.172000       1.057000      227.9965      -159.7 
1 1 1 28 16 28 o 10.92000       1.144000      340.4136      178.7  
1 1 1 28 16 29 o -0.9108000E-04 1.073000      198.9769      53.6   
1 1 1 28 16 30 o 2.181000       1.057000      147.4382      78.0   
1 1 1 28 16 31 o 2.997000       1.069000      152.6981      -127.1 
1 1 1 28 16 32 o 3.638000       1.121000      240.9966      -138.4 
1 1 1 28 16 33 o 11.02000       1.397000      441.8225      67.8   
1 1 1 28 16 34 o 4.430000       1.362000      314.2746      -85.9  
1 1 1 28 16 35 o 5.678000       1.444000      318.5225      -74.5  
1 1 1 28 16 36 o 3.896000       1.361000      259.4423      64.0   
1 1 1 28 16 37 o 0.5809000      1.278000      233.2842      -61.9  
1 1 1 28 16 38 o 0.3285000      1.403000      51.01329      -104.1 
1 1 1 28 16 39 o 6.515000       1.466000      273.7920      30.1   
1 1 1 28 16 40 o 0.5183000      1.492000      156.3879      177.0  
1 1 1 28 16 41 o 4.616000       1.411000      313.5301      -103.2 
1 1 1 28 16 42 o 0.4788000      1.291000      106.4314      -156.6 
1 1 1 28 16 43 o 3.929000       1.410000      163.0064      -153.2 
1 1 1 28 16 44 o -1.082000      1.400000      158.1212      -102.6 
1 1 1 28 16 45 o 1.322000       1.369000      ?             ?      
1 1 1 28 16 46 o 1.026000       1.204000      ?             ?      
1 1 1 28 16 47 o 0.7729000      1.181000      ?             ?      
1 1 1 28 16 48 o 1.874000       1.173000      ?             ?      
1 1 1 28 16 49 o 3.012000       1.181000      ?             ?      
1 1 1 28 16 50 o -0.8421000     1.157000      ?             ?      
1 1 1 28 16 51 o 1.359000       1.164000      ?             ?      
1 1 1 28 16 52 o -0.4600000     1.141000      ?             ?      
1 1 1 28 16 53 o 2.749000       1.170000      ?             ?      
1 1 1 28 16 54 o 0.7043000      1.193000      ?             ?      
1 1 1 28 16 55 o -0.4800000E-01 1.196000      ?             ?      
1 1 1 28 16 56 o 1.110000       1.379000      ?             ?      
1 1 1 28 16 57 o -0.2295000     1.306000      ?             ?      
1 1 1 28 16 58 o -0.2880000     1.316000      ?             ?      
1 1 1 28 16 59 o -0.5935000E-01 1.319000      ?             ?      
1 1 1 28 16 60 o -0.9650000     1.607000      ?             ?      
1 1 1 28 16 61 o 1.675000       1.723000      ?             ?      
1 1 1 28 16 62 o -0.8920000     1.413000      ?             ?      
1 1 1 28 16 63 o 0.3550000      1.266000      ?             ?      
1 1 1 28 16 64 o -1.894000      1.261000      ?             ?      
1 1 1 28 17 0  o -2.059000      1.411000      52.27457      -180.0 
1 1 1 28 17 1  o 23.70000       1.488000      680.0286      -47.4  
1 1 1 28 17 2  o 7.986000       1.170000      413.6960      117.4  
1 1 1 28 17 3  o 9.007000       1.189000      412.9577      33.1   
1 1 1 28 17 4  o 3.158000       1.044000      273.1422      -85.6  
1 1 1 28 17 5  o 3.375000       1.094000      286.6388      -102.3 
1 1 1 28 17 6  o 17.11000       1.292000      640.6440      -4.1   
1 1 1 28 17 7  o 5.903000       1.109000      251.5233      79.4   
1 1 1 28 17 8  o 2.162000       1.120000      177.4956      36.1   
1 1 1 28 17 9  o 16.87000       1.231000      646.8431      51.2   
1 1 1 28 17 10 o 9.802000       1.122000      166.3955      -82.8  
1 1 1 28 17 11 o 3.134000       1.054000      301.6318      129.3  
1 1 1 28 17 12 o 7.240000       1.073000      316.0722      148.9  
1 1 1 28 17 13 o 13.64000       1.141000      625.0745      174.0  
1 1 1 28 17 14 o 17.60000       1.226000      475.3675      -126.6 
1 1 1 28 17 15 o 1.651000       1.116000      152.7257      -167.2 
1 1 1 28 17 16 o 4.256000       1.111000      285.3375      153.4  
1 1 1 28 17 17 o 0.2558000      1.153000      122.1567      -57.9  
1 1 1 28 17 18 o 16.87000       1.295000      575.8742      -145.4 
1 1 1 28 17 19 o 12.36000       1.248000      559.0521      161.0  
1 1 1 28 17 20 o 4.866000       1.176000      242.5376      103.5  
1 1 1 28 17 21 o 1.838000       1.231000      107.9346      -61.9  
1 1 1 28 17 22 o 2.495000       1.180000      361.1323      71.5   
1 1 1 28 17 23 o 4.256000       1.259000      301.9954      -178.6 
1 1 1 28 17 24 o 11.18000       1.186000      339.5622      -82.7  
1 1 1 28 17 25 o -2.589000      1.030000      98.69344      23.5   
1 1 1 28 17 26 o 8.395000       1.077000      422.5606      -145.1 
1 1 1 28 17 27 o 4.515000       1.096000      278.6994      -98.5  
1 1 1 28 17 28 o 3.139000       1.063000      314.6812      -54.6  
1 1 1 28 17 29 o 9.386000       1.114000      466.2740      -109.3 
1 1 1 28 17 30 o 4.084000       1.077000      256.9828      136.1  
1 1 1 28 17 31 o 0.6845000      1.067000      232.2497      -134.0 
1 1 1 28 17 32 o 2.315000       1.091000      188.6153      -31.0  
1 1 1 28 17 33 o 6.882000       1.355000      342.7623      -12.0  
1 1 1 28 17 34 o -0.6492000     1.331000      107.5104      172.4  
1 1 1 28 17 35 o 0.4977000      1.428000      81.22420      90.6   
1 1 1 28 17 36 o 6.196000       1.332000      250.4262      -152.3 
1 1 1 28 17 37 o 3.282000       1.367000      161.4502      -99.5  
1 1 1 28 17 38 o 1.689000       1.245000      257.9780      61.2   
1 1 1 28 17 39 o 7.148000       1.439000      325.7222      -32.5  
1 1 1 28 17 40 o -0.4164000     1.374000      79.00527      89.6   
1 1 1 28 17 41 o 0.5132000      1.379000      209.9421      -86.1  
1 1 1 28 17 42 o 1.307000       1.352000      28.20889      -18.9  
1 1 1 28 17 43 o 1.315000       1.405000      134.5941      -77.3  
1 1 1 28 17 44 o 0.8484000      1.575000      64.02412      -85.6  
1 1 1 28 17 45 o -0.1014000     1.346000      ?             ?      
1 1 1 28 17 46 o -1.293000      1.171000      ?             ?      
1 1 1 28 17 47 o 2.571000       1.173000      ?             ?      
1 1 1 28 17 48 o -2.825000      1.163000      ?             ?      
1 1 1 28 17 49 o 1.708000       1.167000      ?             ?      
1 1 1 28 17 50 o 0.4623000      1.148000      ?             ?      
1 1 1 28 17 51 o 3.102000       1.156000      ?             ?      
1 1 1 28 17 52 o 0.9411000      1.143000      ?             ?      
1 1 1 28 17 53 o -0.3809000     1.140000      ?             ?      
1 1 1 28 17 54 o 2.439000       1.180000      ?             ?      
1 1 1 28 17 55 o 0.3189000      1.190000      ?             ?      
1 1 1 28 17 56 o 0.8986000      1.362000      ?             ?      
1 1 1 28 17 57 o 1.140000       1.460000      ?             ?      
1 1 1 28 17 58 o 2.457000       1.321000      ?             ?      
1 1 1 28 17 59 o 3.737000       1.381000      ?             ?      
1 1 1 28 17 60 o -2.026000      1.606000      ?             ?      
1 1 1 28 17 61 o 4.059000       1.723000      ?             ?      
1 1 1 28 17 62 o 0.1710000      1.368000      ?             ?      
1 1 1 28 17 63 o 1.746000       1.748000      ?             ?      
1 1 1 28 18 0  o 59.71000       2.670000      1114.056      -0.0   
1 1 1 28 18 1  o 10.83000       1.200000      360.0411      140.8  
1 1 1 28 18 2  o 5.662000       1.117000      414.3797      126.5  
1 1 1 28 18 3  o 3.577000       1.132000      156.8131      -56.3  
1 1 1 28 18 4  o 13.18000       1.204000      564.1903      87.7   
1 1 1 28 18 5  o 3.952000       1.191000      208.8548      -167.4 
1 1 1 28 18 6  o 4.708000       1.281000      67.99070      122.1  
1 1 1 28 18 7  o 8.212000       1.138000      352.8389      145.0  
1 1 1 28 18 8  o 6.053000       1.107000      282.5838      114.7  
1 1 1 28 18 9  o 4.813000       1.117000      391.6150      102.9  
1 1 1 28 18 10 o 11.79000       1.135000      499.8050      -132.2 
1 1 1 28 18 11 o 4.768000       1.078000      248.8603      -156.5 
1 1 1 28 18 12 o 2.954000       1.051000      152.6866      13.1   
1 1 1 28 18 13 o 0.6926000      1.053000      231.1244      -155.1 
1 1 1 28 18 14 o 3.631000       1.080000      170.9214      -20.0  
1 1 1 28 18 15 o 4.848000       1.126000      258.6215      131.5  
1 1 1 28 18 16 o 12.09000       1.244000      488.4889      -97.0  
1 1 1 28 18 17 o 10.85000       1.229000      486.7890      -63.1  
1 1 1 28 18 18 o 5.988000       1.231000      299.0109      122.9  
1 1 1 28 18 19 o 1.025000       1.143000      116.5793      141.4  
1 1 1 28 18 20 o 3.042000       1.161000      274.8999      -161.1 
1 1 1 28 18 21 o 5.120000       1.250000      265.4986      159.9  
1 1 1 28 18 22 o -1.971000      1.228000      38.15380      135.7  
1 1 1 28 18 23 o 4.987000       1.132000      237.5474      42.8   
1 1 1 28 18 24 o 2.758000       1.103000      277.9868      -88.1  
1 1 1 28 18 25 o 2.140000       1.045000      281.3268      59.6   
1 1 1 28 18 26 o 1.202000       1.042000      147.5391      -74.2  
1 1 1 28 18 27 o 2.341000       1.033000      230.9860      52.3   
1 1 1 28 18 28 o 0.9972000      1.007000      200.9427      122.2  
1 1 1 28 18 29 o 8.755000       1.090000      365.1538      3.7    
1 1 1 28 18 30 o 4.560000       1.072000      267.8240      -40.1  
1 1 1 28 18 31 o 6.011000       1.099000      309.1728      -179.4 
1 1 1 28 18 32 o 4.537000       1.094000      281.4105      -30.4  
1 1 1 28 18 33 o 2.298000       1.305000      232.5303      -96.4  
1 1 1 28 18 34 o 0.3106000      1.343000      313.7597      -124.6 
1 1 1 28 18 35 o 12.19000       1.539000      350.6606      -35.2  
1 1 1 28 18 36 o 0.9332000      1.280000      219.3737      75.1   
1 1 1 28 18 37 o 0.5020000      1.250000      205.3670      -42.0  
1 1 1 28 18 38 o 1.944000       1.226000      229.0864      97.5   
1 1 1 28 18 39 o 0.2637000      1.378000      80.15513      113.3  
1 1 1 28 18 40 o 3.201000       1.393000      253.8152      -54.8  
1 1 1 28 18 41 o 8.334000       1.517000      354.3130      -118.5 
1 1 1 28 18 42 o 0.8010000      1.512000      214.6479      120.0  
1 1 1 28 18 43 o 0.8562000      1.534000      132.7633      87.4   
1 1 1 28 18 44 o -0.5124000     1.365000      ?             ?      
1 1 1 28 18 45 o -0.7565000     1.255000      ?             ?      
1 1 1 28 18 46 o 0.5731000      1.184000      ?             ?      
1 1 1 28 18 47 o 2.231000       1.179000      ?             ?      
1 1 1 28 18 48 o 1.483000       1.176000      ?             ?      
1 1 1 28 18 49 o 1.117000       1.150000      ?             ?      
1 1 1 28 18 50 o 2.160000       1.157000      ?             ?      
1 1 1 28 18 51 o 1.197000       1.137000      ?             ?      
1 1 1 28 18 52 o 3.994000       1.156000      ?             ?      
1 1 1 28 18 53 o 0.8388000E-01  1.131000      ?             ?      
1 1 1 28 18 54 o 2.428000       1.170000      ?             ?      
1 1 1 28 18 55 o 1.006000       1.169000      ?             ?      
1 1 1 28 18 56 o 3.905000       1.407000      ?             ?      
1 1 1 28 18 57 o -0.1872000     1.396000      ?             ?      
1 1 1 28 18 58 o 1.211000       1.330000      ?             ?      
1 1 1 28 18 59 f 0.2907000      1.415000      ?             ?      
1 1 1 28 18 60 o -0.7010000     1.624000      ?             ?      
1 1 1 28 18 61 o 5.075000       1.594000      ?             ?      
1 1 1 28 18 62 o -0.4210000     1.366000      ?             ?      
1 1 1 28 18 63 o 0.7219000      1.283000      ?             ?      
1 1 1 28 19 0  o 3.972000       1.946000      272.8202      -0.0   
1 1 1 28 19 1  o 14.17000       1.242000      531.9576      138.7  
1 1 1 28 19 2  o 5.834000       1.082000      268.9464      123.7  
1 1 1 28 19 3  o 21.87000       1.216000      605.9885      -36.6  
1 1 1 28 19 4  o 10.72000       1.126000      267.9176      -72.1  
1 1 1 28 19 5  o 4.422000       1.046000      264.9019      88.5   
1 1 1 28 19 6  o -0.7164000     1.021000      191.2394      -8.2   
1 1 1 28 19 7  o 18.49000       1.249000      561.1062      168.4  
1 1 1 28 19 8  o 8.733000       1.271000      297.4790      133.8  
1 1 1 28 19 9  o 9.566000       1.286000      457.8549      1.6    
1 1 1 28 19 10 o 10.17000       1.147000      354.7493      -66.7  
1 1 1 28 19 11 o 3.886000       1.080000      145.3344      32.2   
1 1 1 28 19 12 o 5.955000       1.112000      386.4696      143.4  
1 1 1 28 19 13 o 26.50000       1.276000      580.3932      166.8  
1 1 1 28 19 14 o 35.44000       1.389000      745.3951      -63.3  
1 1 1 28 19 15 o 6.412000       1.241000      412.7625      24.9   
1 1 1 28 19 16 o 10.43000       1.249000      480.8222      -121.2 
1 1 1 28 19 17 o 46.86000       1.717000      906.5337      -119.7 
1 1 1 28 19 18 o 4.598000       1.332000      299.0700      -169.7 
1 1 1 28 19 19 o 8.942000       1.412000      312.9586      -146.1 
1 1 1 28 19 20 o 4.544000       1.238000      288.7828      109.0  
1 1 1 28 19 21 o 2.811000       1.197000      337.0787      -102.1 
1 1 1 28 19 22 o 19.56000       1.442000      544.5149      120.7  
1 1 1 28 19 23 o -0.1496000     1.100000      67.21755      -6.0   
1 1 1 28 19 24 o 10.12000       1.080000      300.1244      120.9  
1 1 1 28 19 25 o 2.374000       1.042000      161.4479      -76.1  
1 1 1 28 19 26 o 30.92000       1.527000      678.8915      -168.1 
1 1 1 28 19 27 o -1.061000      1.010000      25.71937      110.9  
1 1 1 28 19 28 o 4.270000       1.032000      316.9421      -163.6 
1 1 1 28 19 29 o 7.207000       1.064000      472.6365      -91.7  
1 1 1 28 19 30 o 1.156000       1.051000      113.9597      41.0   
1 1 1 28 19 31 o 12.61000       1.150000      374.6832      -71.0  
1 1 1 28 19 32 o 5.522000       1.091000      295.3170      -64.2  
1 1 1 28 19 33 o 10.50000       1.141000      440.4152      36.7   
1 1 1 28 19 34 o 16.79000       1.487000      487.7483      93.8   
1 1 1 28 19 35 o 1.160000       1.437000      138.3869      141.3  
1 1 1 28 19 36 o 1.705000       1.434000      137.0354      -165.5 
1 1 1 28 19 37 o 12.41000       1.329000      386.2622      -141.5 
1 1 1 28 19 38 o 5.838000       1.210000      395.4862      82.8   
1 1 1 28 19 39 o 18.45000       1.394000      553.9252      -59.5  
1 1 1 28 19 40 o 4.295000       1.400000      199.6606      20.5   
1 1 1 28 19 41 o -0.1123000     1.376000      207.9685      -162.0 
1 1 1 28 19 42 o 7.962000       1.762000      309.3920      -164.0 
1 1 1 28 19 43 o 2.846000       1.677000      168.8723      -112.1 
1 1 1 28 19 44 o 6.376000       1.403000      ?             ?      
1 1 1 28 19 45 o 1.725000       1.198000      ?             ?      
1 1 1 28 19 46 o 1.630000       1.185000      ?             ?      
1 1 1 28 19 47 o 1.026000       1.170000      ?             ?      
1 1 1 28 19 48 o 0.6317000      1.158000      ?             ?      
1 1 1 28 19 49 o 0.4746000      1.159000      ?             ?      
1 1 1 28 19 50 o 0.2208000E-01  1.137000      ?             ?      
1 1 1 28 19 51 o 1.921000       1.136000      ?             ?      
1 1 1 28 19 52 o -0.6161000     1.125000      ?             ?      
1 1 1 28 19 53 o 0.1905000      1.123000      ?             ?      
1 1 1 28 19 54 o -0.9269000E-01 1.151000      ?             ?      
1 1 1 28 19 55 o -0.3081000     1.160000      ?             ?      
1 1 1 28 19 56 o 1.069000       1.207000      ?             ?      
1 1 1 28 19 57 o 3.225000       1.416000      ?             ?      
1 1 1 28 19 58 o -0.9273000     1.531000      ?             ?      
1 1 1 28 19 59 o 0.7270000      1.608000      ?             ?      
1 1 1 28 19 60 o 0.9003000      1.378000      ?             ?      
1 1 1 28 19 61 o -2.183000      1.342000      ?             ?      
1 1 1 28 19 62 o 3.302000       1.491000      ?             ?      
1 1 1 28 19 63 o 0.4107000      1.385000      ?             ?      
1 1 1 28 20 0  o 10.64000       1.792000      341.7954      -0.0   
1 1 1 28 20 1  o 18.20000       1.229000      583.9374      174.5  
1 1 1 28 20 2  o 0.1867000      1.146000      94.83504      -7.6   
1 1 1 28 20 3  o 2.964000       1.365000      201.3748      9.6    
1 1 1 28 20 4  o 7.006000       1.206000      412.5349      84.2   
1 1 1 28 20 5  o 4.388000       1.045000      367.0756      -103.4 
1 1 1 28 20 6  o 20.48000       1.176000      576.0253      147.0  
1 1 1 28 20 7  o 1.895000       1.123000      342.3315      -140.9 
1 1 1 28 20 8  o 4.572000       1.093000      337.2305      122.4  
1 1 1 28 20 9  o 2.866000       1.091000      258.3925      112.0  
1 1 1 28 20 10 o 11.39000       1.130000      300.8256      134.2  
1 1 1 28 20 11 o 0.8712000      1.208000      182.9607      -95.2  
1 1 1 28 20 12 o 5.845000       1.096000      376.6419      -116.6 
1 1 1 28 20 13 o -0.5422000     1.084000      172.3777      163.6  
1 1 1 28 20 14 o 15.39000       1.211000      442.5969      -90.2  
1 1 1 28 20 15 o 7.900000       1.192000      211.5901      -5.1   
1 1 1 28 20 16 o 21.88000       1.379000      461.1649      -80.4  
1 1 1 28 20 17 o 5.387000       1.397000      268.9223      -92.0  
1 1 1 28 20 18 o 3.391000       1.341000      192.0831      -5.2   
1 1 1 28 20 19 o 16.95000       1.503000      440.6437      -177.3 
1 1 1 28 20 20 o 12.29000       1.450000      390.2657      148.5  
1 1 1 28 20 21 o 5.707000       1.212000      326.8507      -142.4 
1 1 1 28 20 22 o 5.034000       1.184000      305.3980      55.4   
1 1 1 28 20 23 o 11.61000       1.196000      356.8190      -126.7 
1 1 1 28 20 24 o 9.951000       1.110000      484.7786      153.2  
1 1 1 28 20 25 o 10.77000       1.093000      351.0834      -47.8  
1 1 1 28 20 26 o 1.684000       1.023000      269.4591      -34.3  
1 1 1 28 20 27 o 4.913000       1.031000      289.3831      -55.2  
1 1 1 28 20 28 o 5.028000       1.040000      261.6124      87.1   
1 1 1 28 20 29 o 5.682000       1.064000      296.4643      21.3   
1 1 1 28 20 30 o 1.071000       1.046000      150.2110      -0.2   
1 1 1 28 20 31 o 4.897000       1.085000      233.6531      132.5  
1 1 1 28 20 32 o 0.8091000      1.059000      36.49403      -31.9  
1 1 1 28 20 33 o 8.979000       1.144000      441.3577      140.8  
1 1 1 28 20 34 o 1.037000       1.367000      188.7519      129.1  
1 1 1 28 20 35 o 0.8433000      1.375000      187.2088      2.5    
1 1 1 28 20 36 o 0.9026000      1.449000      141.4415      -78.0  
1 1 1 28 20 37 o 11.20000       1.324000      428.9643      -122.8 
1 1 1 28 20 38 o 6.301000       1.294000      324.8705      46.2   
1 1 1 28 20 39 o 3.965000       1.199000      394.9929      132.6  
1 1 1 28 20 40 o 5.672000       1.270000      315.3670      -62.6  
1 1 1 28 20 41 o 0.4228000      1.408000      268.5356      -130.1 
1 1 1 28 20 42 o 1.750000       2.025000      144.6327      127.4  
1 1 1 28 20 43 o 1.107000       1.477000      ?             ?      
1 1 1 28 20 44 o 2.382000       1.407000      ?             ?      
1 1 1 28 20 45 o 2.763000       1.197000      ?             ?      
1 1 1 28 20 46 o 1.141000       1.192000      ?             ?      
1 1 1 28 20 47 o 5.155000       1.196000      ?             ?      
1 1 1 28 20 48 o 1.523000       1.140000      ?             ?      
1 1 1 28 20 49 o 2.733000       1.171000      ?             ?      
1 1 1 28 20 50 o -0.9142000     1.143000      ?             ?      
1 1 1 28 20 51 o 2.293000       1.152000      ?             ?      
1 1 1 28 20 52 o 1.233000       1.143000      ?             ?      
1 1 1 28 20 53 o 0.9678000      1.147000      ?             ?      
1 1 1 28 20 54 o -0.4004000     1.155000      ?             ?      
1 1 1 28 20 55 o 2.033000       1.168000      ?             ?      
1 1 1 28 20 56 o 0.9581000      1.185000      ?             ?      
1 1 1 28 20 57 o 4.984000       1.430000      ?             ?      
1 1 1 28 20 58 o 1.586000       1.808000      ?             ?      
1 1 1 28 20 59 o 0.1229000      1.642000      ?             ?      
1 1 1 28 20 60 o 1.987000       1.401000      ?             ?      
1 1 1 28 20 61 o 0.6974000      1.734000      ?             ?      
1 1 1 28 20 62 o 0.7619000      1.371000      ?             ?      
1 1 1 28 21 0  o 11.54000       1.470000      381.4239      -0.0   
1 1 1 28 21 1  o 2.776000       0.9926000     157.9310      120.3  
1 1 1 28 21 2  o 4.231000       1.070000      404.6000      52.0   
1 1 1 28 21 3  o 3.738000       1.072000      44.29195      41.8   
1 1 1 28 21 4  o 0.1770000      1.080000      224.4873      51.7   
1 1 1 28 21 5  o 1.156000       1.248000      136.5455      93.8   
1 1 1 28 21 6  o 0.3558000      1.206000      112.0047      81.5   
1 1 1 28 21 7  o 44.07000       1.707000      792.1721      -164.0 
1 1 1 28 21 8  o 15.73000       1.194000      651.7733      26.4   
1 1 1 28 21 9  o 14.89000       1.151000      439.7675      -51.4  
1 1 1 28 21 10 o 1.294000       1.060000      98.47541      -40.4  
1 1 1 28 21 11 o 10.52000       1.122000      375.2207      130.7  
1 1 1 28 21 12 o 1.028000       1.074000      128.1962      93.8   
1 1 1 28 21 13 o 15.58000       1.344000      462.8743      -55.2  
1 1 1 28 21 14 o 17.00000       1.483000      407.9957      -39.1  
1 1 1 28 21 15 o 9.169000       1.274000      362.6934      -52.7  
1 1 1 28 21 16 o 7.764000       1.246000      388.0804      -116.0 
1 1 1 28 21 17 o 18.06000       1.532000      546.3022      -93.6  
1 1 1 28 21 18 o 3.062000       1.382000      98.42506      -23.7  
1 1 1 28 21 19 o 8.080000       1.458000      234.9639      -153.4 
1 1 1 28 21 20 o 5.295000       1.285000      318.5901      -97.2  
1 1 1 28 21 21 o 8.092000       1.548000      444.7514      -133.8 
1 1 1 28 21 22 o 10.57000       1.217000      409.3208      38.7   
1 1 1 28 21 23 o 3.876000       1.178000      298.1675      -142.9 
1 1 1 28 21 24 o 7.787000       1.104000      471.1507      31.4   
1 1 1 28 21 25 o 8.917000       1.084000      448.9493      -45.1  
1 1 1 28 21 26 o 5.475000       1.037000      376.2529      93.1   
1 1 1 28 21 27 o 24.97000       1.519000      686.5405      173.7  
1 1 1 28 21 28 o 7.263000       1.077000      307.3394      -165.3 
1 1 1 28 21 29 o 6.447000       1.065000      386.1666      -88.0  
1 1 1 28 21 30 o 5.959000       1.067000      262.7349      156.0  
1 1 1 28 21 31 o 13.72000       1.144000      331.3878      -127.5 
1 1 1 28 21 32 o 16.68000       1.253000      394.9093      -143.0 
1 1 1 28 21 33 o 1.619000       1.080000      334.6940      64.8   
1 1 1 28 21 34 o 1.254000       1.343000      227.0693      136.9  
1 1 1 28 21 35 o 0.1657000      1.355000      139.4350      -35.7  
1 1 1 28 21 36 o 5.104000       1.483000      198.5198      158.6  
1 1 1 28 21 37 o 9.510000       1.304000      465.3547      175.9  
1 1 1 28 21 38 o 0.9867000      1.229000      187.3618      -30.3  
1 1 1 28 21 39 o 4.476000       1.174000      384.2560      -23.2  
1 1 1 28 21 40 o 0.3872000      1.148000      63.68320      -84.0  
1 1 1 28 21 41 o 5.705000       1.616000      395.6552      -108.5 
1 1 1 28 21 42 o -0.2877000     1.918000      186.2885      -60.2  
1 1 1 28 21 43 o -0.1217000     1.617000      ?             ?      
1 1 1 28 21 44 o 1.318000       1.291000      ?             ?      
1 1 1 28 21 45 o 3.735000       1.195000      ?             ?      
1 1 1 28 21 46 o 6.647000       1.213000      ?             ?      
1 1 1 28 21 47 o 0.1772000      1.156000      ?             ?      
1 1 1 28 21 48 o 1.735000       1.131000      ?             ?      
1 1 1 28 21 49 o -0.3828000     1.142000      ?             ?      
1 1 1 28 21 50 o 4.338000       1.181000      ?             ?      
1 1 1 28 21 51 f 3.183000       1.174000      ?             ?      
1 1 1 28 21 52 o 4.526000       1.188000      ?             ?      
1 1 1 28 21 53 o 0.3521000      1.151000      ?             ?      
1 1 1 28 21 54 o -0.1693000     1.158000      ?             ?      
1 1 1 28 21 55 o 0.8434000      1.157000      ?             ?      
1 1 1 28 21 56 o 0.5192000      1.167000      ?             ?      
1 1 1 28 21 57 o 0.3920000E-01  1.415000      ?             ?      
1 1 1 28 21 58 o 1.846000       1.672000      ?             ?      
1 1 1 28 21 59 o 0.1016000      1.535000      ?             ?      
1 1 1 28 21 60 o 0.7096000E-02  1.340000      ?             ?      
1 1 1 28 21 61 o 0.4125000      1.251000      ?             ?      
1 1 1 28 21 62 o -0.2138000     1.440000      ?             ?      
1 1 1 28 22 0  o -0.3158000     1.316000      19.52539      180.0  
1 1 1 28 22 1  o 5.851000       0.9717000     344.3259      -173.3 
1 1 1 28 22 2  o 4.320000       0.9759000     293.4735      34.7   
1 1 1 28 22 3  o 10.51000       1.062000      476.5641      117.7  
1 1 1 28 22 4  o 2.195000       1.047000      59.56721      -117.4 
1 1 1 28 22 5  o 9.098000       1.090000      367.9679      -157.5 
1 1 1 28 22 6  o 3.499000       1.033000      283.4705      149.8  
1 1 1 28 22 7  o 1.786000       1.084000      240.5937      24.1   
1 1 1 28 22 8  o 10.70000       1.422000      511.6838      90.6   
1 1 1 28 22 9  o 7.506000       1.279000      322.5642      108.4  
1 1 1 28 22 10 o 2.578000       1.078000      318.3538      -82.4  
1 1 1 28 22 11 o 3.879000       1.084000      167.5074      22.4   
1 1 1 28 22 12 o 8.002000       1.121000      338.2510      -50.4  
1 1 1 28 22 13 o 5.864000       1.095000      206.1953      59.7   
1 1 1 28 22 14 o 4.368000       1.089000      297.6762      -41.7  
1 1 1 28 22 15 o 5.101000       1.116000      293.2902      14.6   
1 1 1 28 22 16 o 8.030000       1.812000      410.5028      -42.1  
1 1 1 28 22 17 o 2.407000       1.769000      66.71059      127.7  
1 1 1 28 22 18 o 8.844000       1.459000      481.2870      -3.9   
1 1 1 28 22 19 o 3.876000       1.287000      355.2078      173.4  
1 1 1 28 22 20 o 0.7454000      1.268000      210.3274      128.0  
1 1 1 28 22 21 o 7.577000       1.542000      433.9351      29.3   
1 1 1 28 22 22 o 1.238000       1.245000      178.8936      44.1   
1 1 1 28 22 23 o 11.28000       1.154000      468.2357      164.6  
1 1 1 28 22 24 o 3.913000       1.102000      442.2516      92.3   
1 1 1 28 22 25 o 8.637000       1.082000      381.7197      -18.8  
1 1 1 28 22 26 o 3.283000       1.029000      292.2315      -87.2  
1 1 1 28 22 27 o 11.97000       1.118000      539.0571      -114.3 
1 1 1 28 22 28 o 1.083000       1.032000      47.11516      -88.8  
1 1 1 28 22 29 o 0.4204000      1.035000      43.40025      -128.1 
1 1 1 28 22 30 o 9.652000       1.100000      262.7702      -51.1  
1 1 1 28 22 31 o -0.2855000     1.065000      44.95017      109.9  
1 1 1 28 22 32 o -0.2821000     1.060000      51.36702      -144.4 
1 1 1 28 22 33 o -0.1703000     1.067000      122.6089      117.0  
1 1 1 28 22 34 o 1.422000       1.329000      238.5905      142.5  
1 1 1 28 22 35 o 2.970000       1.365000      242.4046      12.7   
1 1 1 28 22 36 o 8.584000       1.517000      336.5409      -138.8 
1 1 1 28 22 37 o 2.558000       1.272000      242.5851      -29.2  
1 1 1 28 22 38 o 9.223000       1.281000      479.3924      72.7   
1 1 1 28 22 39 o -0.7667000E-01 1.148000      184.5632      130.1  
1 1 1 28 22 40 o 7.379000       1.211000      293.4870      -46.8  
1 1 1 28 22 41 o 2.163000       1.365000      237.2829      61.2   
1 1 1 28 22 42 o 2.214000       1.426000      ?             ?      
1 1 1 28 22 43 o -0.1627000     1.349000      ?             ?      
1 1 1 28 22 44 o 2.762000       1.269000      ?             ?      
1 1 1 28 22 45 o 0.5733000      1.233000      ?             ?      
1 1 1 28 22 46 o 0.6015000      1.158000      ?             ?      
1 1 1 28 22 47 o -0.2103000     1.136000      ?             ?      
1 1 1 28 22 48 o 2.316000       1.126000      ?             ?      
1 1 1 28 22 49 o -0.1662000     1.138000      ?             ?      
1 1 1 28 22 50 o -0.5557000     1.149000      ?             ?      
1 1 1 28 22 51 o -0.7317000     1.149000      ?             ?      
1 1 1 28 22 52 o -1.586000      1.138000      ?             ?      
1 1 1 28 22 53 o 0.5568000      1.149000      ?             ?      
1 1 1 28 22 54 o -0.6005000     1.157000      ?             ?      
1 1 1 28 22 55 o 0.2415000      1.160000      ?             ?      
1 1 1 28 22 56 o 0.5873000      1.179000      ?             ?      
1 1 1 28 22 57 o -0.5276000     1.360000      ?             ?      
1 1 1 28 22 58 o -1.528000      2.032000      ?             ?      
1 1 1 28 22 59 o 1.998000       1.835000      ?             ?      
1 1 1 28 22 60 o 0.9582000      1.429000      ?             ?      
1 1 1 28 22 61 o 2.126000       1.368000      ?             ?      
1 1 1 28 23 0  o 8.281000       1.378000      453.4755      -0.0   
1 1 1 28 23 1  o 2.450000       0.9497000     231.9134      -130.6 
1 1 1 28 23 2  o 1.647000       0.9311000     62.88202      88.2   
1 1 1 28 23 3  o 4.106000       1.011000      117.2686      168.5  
1 1 1 28 23 4  o 0.1045000      0.9816000     34.58447      33.2   
1 1 1 28 23 5  o 5.239000       1.053000      379.4646      129.7  
1 1 1 28 23 6  o 0.8396000E-01  0.9991000     169.6526      81.4   
1 1 1 28 23 7  o 15.67000       1.199000      564.0559      -171.5 
1 1 1 28 23 8  o 10.02000       1.159000      458.0191      66.2   
1 1 1 28 23 9  o -0.4317000     1.068000      181.0760      -89.4  
1 1 1 28 23 10 o 8.532000       1.230000      454.2534      83.3   
1 1 1 28 23 11 f 9.469000       1.374000      390.9842      37.6   
1 1 1 28 23 12 o 3.496000       1.213000      246.6373      -178.1 
1 1 1 28 23 13 o 1.785000       1.026000      169.2630      28.5   
1 1 1 28 23 14 o 4.914000       1.034000      214.6645      120.0  
1 1 1 28 23 15 o -0.1998000     1.166000      108.7473      -91.6  
1 1 1 28 23 16 o 4.404000       1.270000      185.7779      -167.9 
1 1 1 28 23 17 o 0.1195000      1.258000      99.55572      113.9  
1 1 1 28 23 18 o 10.27000       1.347000      383.5963      -129.0 
1 1 1 28 23 19 o 5.712000       1.523000      340.6816      138.1  
1 1 1 28 23 20 o -0.3011000     1.510000      66.49219      110.8  
1 1 1 28 23 21 o 12.00000       1.591000      389.6954      178.2  
1 1 1 28 23 22 o 4.987000       1.447000      365.6944      98.9   
1 1 1 28 23 23 o 11.57000       1.227000      450.0800      174.9  
1 1 1 28 23 24 o 14.42000       1.353000      567.2122      37.4   
1 1 1 28 23 25 o 0.2540000      1.037000      218.2427      -91.2  
1 1 1 28 23 26 o 0.8681000      1.033000      250.8516      98.0   
1 1 1 28 23 27 o 5.330000       1.066000      278.3295      -144.6 
1 1 1 28 23 28 o -0.6060000     1.045000      188.1319      -4.7   
1 1 1 28 23 29 o 4.473000       1.072000      202.2997      -179.4 
1 1 1 28 23 30 o -0.3338000     1.055000      136.6594      -49.2  
1 1 1 28 23 31 o 1.362000       1.086000      212.7450      -67.6  
1 1 1 28 23 32 o -0.4797000     1.067000      144.8245      -98.7  
1 1 1 28 23 33 o 0.3630000      1.057000      125.3345      -143.6 
1 1 1 28 23 34 o 2.059000       1.113000      186.4814      124.2  
1 1 1 28 23 35 o 0.2715000      1.356000      168.8677      -163.8 
1 1 1 28 23 36 o 13.10000       1.484000      482.8120      108.5  
1 1 1 28 23 37 o 0.3700000      1.446000      164.9297      155.7  
1 1 1 28 23 38 o 1.532000       1.210000      188.2202      -37.1  
1 1 1 28 23 39 o 0.7867000      1.240000      213.1262      0.5    
1 1 1 28 23 40 o 0.1778000      1.233000      231.5822      -172.7 
1 1 1 28 23 41 o 5.735000       1.346000      ?             ?      
1 1 1 28 23 42 o -1.576000      1.265000      ?             ?      
1 1 1 28 23 43 o 2.438000       1.222000      ?             ?      
1 1 1 28 23 44 o -1.354000      1.323000      ?             ?      
1 1 1 28 23 45 o -0.7841000     1.219000      ?             ?      
1 1 1 28 23 46 o 2.467000       1.169000      ?             ?      
1 1 1 28 23 47 o 2.026000       1.133000      ?             ?      
1 1 1 28 23 48 o 0.1266000      1.118000      ?             ?      
1 1 1 28 23 49 o -1.398000      1.126000      ?             ?      
1 1 1 28 23 50 o -0.4368000     1.135000      ?             ?      
1 1 1 28 23 51 o 3.532000       1.147000      ?             ?      
1 1 1 28 23 52 o 2.010000       1.146000      ?             ?      
1 1 1 28 23 53 o 0.4518000E-01  1.156000      ?             ?      
1 1 1 28 23 54 o 0.9368000      1.171000      ?             ?      
1 1 1 28 23 55 o 0.8288000      1.155000      ?             ?      
1 1 1 28 23 56 o 0.8916000      1.190000      ?             ?      
1 1 1 28 23 57 o 1.120000       1.373000      ?             ?      
1 1 1 28 23 58 o 3.159000       2.288000      ?             ?      
1 1 1 28 23 59 o 1.023000       1.552000      ?             ?      
1 1 1 28 23 60 o 1.035000       1.505000      ?             ?      
1 1 1 28 23 61 o 2.669000       1.720000      ?             ?      
1 1 1 28 24 0  o 5.291000       1.337000      122.9403      -0.0   
1 1 1 28 24 1  o 2.454000       0.9399000     148.4250      135.4  
1 1 1 28 24 2  o 5.114000       0.9470000     340.3227      -36.3  
1 1 1 28 24 3  o 1.120000       1.029000      163.2982      149.8  
1 1 1 28 24 4  o 0.9506000      1.010000      258.4802      -76.0  
1 1 1 28 24 5  o 0.3416000      1.017000      129.6243      112.2  
1 1 1 28 24 6  o 3.104000       1.074000      309.4127      -168.2 
1 1 1 28 24 7  o 5.862000       1.098000      452.9494      73.1   
1 1 1 28 24 8  o 3.796000       1.044000      191.8745      -92.6  
1 1 1 28 24 9  o 2.160000       1.041000      243.2260      157.3  
1 1 1 28 24 10 o 7.670000       1.110000      404.6382      15.8   
1 1 1 28 24 11 o -0.5630000     1.045000      120.8546      112.1  
1 1 1 28 24 12 o 0.9204000      1.019000      182.1667      -63.4  
1 1 1 28 24 13 o -0.7514000     1.060000      114.1567      -21.5  
1 1 1 28 24 14 o 1.608000       1.186000      217.0430      -110.0 
1 1 1 28 24 15 o 13.38000       1.314000      508.1123      -67.1  
1 1 1 28 24 16 o 1.789000       1.269000      160.9188      25.4   
1 1 1 28 24 17 o 0.6536000      1.280000      70.80070      0.5    
1 1 1 28 24 18 o -1.162000      1.189000      109.6239      -155.1 
1 1 1 28 24 19 o 0.8179000      1.242000      74.43079      -100.1 
1 1 1 28 24 20 o 0.4219000      1.452000      83.77527      66.9   
1 1 1 28 24 21 o 2.203000       1.455000      79.73481      -22.5  
1 1 1 28 24 22 o 9.136000       1.419000      447.5610      -120.4 
1 1 1 28 24 23 o 1.743000       1.328000      229.8691      141.4  
1 1 1 28 24 24 o 4.406000       1.093000      420.4455      61.6   
1 1 1 28 24 25 o 0.7090000      1.073000      111.3116      -116.6 
1 1 1 28 24 26 o 7.600000       1.136000      451.4391      -103.8 
1 1 1 28 24 27 o 6.306000       1.100000      387.6978      -144.9 
1 1 1 28 24 28 o 3.066000       1.063000      118.4118      -41.0  
1 1 1 28 24 29 o 0.7807000      1.051000      171.4855      73.7   
1 1 1 28 24 30 o 3.030000       1.065000      203.9493      -13.2  
1 1 1 28 24 31 o -0.7120000     1.069000      28.35114      112.4  
1 1 1 28 24 32 o 1.833000       1.089000      262.4765      -99.1  
1 1 1 28 24 33 o 2.013000       1.082000      217.1034      74.2   
1 1 1 28 24 34 o 7.491000       1.131000      324.8006      -125.0 
1 1 1 28 24 35 o 0.3102000      1.353000      192.3036      68.6   
1 1 1 28 24 36 o -0.6502000     1.380000      26.78995      -59.4  
1 1 1 28 24 37 o 3.319000       1.444000      347.4588      35.6   
1 1 1 28 24 38 o 4.720000       1.229000      325.9381      117.8  
1 1 1 28 24 39 o 2.714000       1.244000      117.9416      -108.4 
1 1 1 28 24 40 o -0.9194000E-01 1.295000      ?             ?      
1 1 1 28 24 41 o 2.155000       1.223000      ?             ?      
1 1 1 28 24 42 o 1.327000       1.152000      ?             ?      
1 1 1 28 24 43 o 0.5991000      1.176000      ?             ?      
1 1 1 28 24 44 o -0.7484000     1.174000      ?             ?      
1 1 1 28 24 45 o 0.4800000      1.230000      ?             ?      
1 1 1 28 24 46 o -0.5042000     1.207000      ?             ?      
1 1 1 28 24 47 o 0.4125000      1.111000      ?             ?      
1 1 1 28 24 48 o 2.462000       1.132000      ?             ?      
1 1 1 28 24 49 o 2.278000       1.144000      ?             ?      
1 1 1 28 24 50 o -1.934000      1.120000      ?             ?      
1 1 1 28 24 51 o -0.2897000     1.131000      ?             ?      
1 1 1 28 24 52 o 0.2925000      1.145000      ?             ?      
1 1 1 28 24 53 o -0.7700000     1.149000      ?             ?      
1 1 1 28 24 54 o 0.4197000      1.158000      ?             ?      
1 1 1 28 24 55 o -0.1570000     1.174000      ?             ?      
1 1 1 28 24 56 o -0.6856000     1.482000      ?             ?      
1 1 1 28 24 57 o 1.521000       1.563000      ?             ?      
1 1 1 28 24 58 o 1.386000       1.747000      ?             ?      
1 1 1 28 24 59 o 0.4683000E-01  1.415000      ?             ?      
1 1 1 28 24 60 o -1.976000      1.678000      ?             ?      
1 1 1 28 25 0  o 0.1336000      1.307000      99.05103      0.0    
1 1 1 28 25 1  o 3.352000       0.9492000     408.8200      24.5   
1 1 1 28 25 2  o 0.8634000      0.9286000     283.4662      14.1   
1 1 1 28 25 3  o 1.254000       0.9489000     138.1910      106.6  
1 1 1 28 25 4  o 6.835000       1.049000      330.6828      164.6  
1 1 1 28 25 5  o -0.1897000     1.044000      142.7819      48.7   
1 1 1 28 25 6  o -0.4401000     1.007000      153.2595      99.6   
1 1 1 28 25 7  o 3.724000       1.039000      256.9833      158.5  
1 1 1 28 25 8  o 3.664000       0.9899000     304.1545      107.7  
1 1 1 28 25 9  o -0.8599000     0.9777000     64.04418      48.3   
1 1 1 28 25 10 o 0.7767000      0.9856000     198.4265      -149.5 
1 1 1 28 25 11 o 1.682000       0.9955000     150.2515      30.8   
1 1 1 28 25 12 o 0.7929000      0.9892000     247.3650      121.2  
1 1 1 28 25 13 o 0.3006000E-01  1.009000      223.0451      23.8   
1 1 1 28 25 14 o 1.010000       1.183000      126.1844      103.3  
1 1 1 28 25 15 o 0.6892000      1.170000      104.2175      -45.2  
1 1 1 28 25 16 o 2.737000       1.377000      165.5871      58.3   
1 1 1 28 25 17 o 3.284000       1.353000      259.1756      130.7  
1 1 1 28 25 18 o 5.469000       1.410000      233.9539      132.2  
1 1 1 28 25 19 o 1.457000       1.368000      235.9852      149.2  
1 1 1 28 25 20 o 5.626000       1.422000      250.7643      89.8   
1 1 1 28 25 21 o 1.160000       1.373000      230.8220      -102.9 
1 1 1 28 25 22 o 14.93000       1.288000      545.6522      153.5  
1 1 1 28 25 23 o 1.309000       1.132000      203.8257      -173.8 
1 1 1 28 25 24 o 7.801000       1.203000      472.9432      53.1   
1 1 1 28 25 25 o 3.191000       1.146000      80.03122      74.3   
1 1 1 28 25 26 o 5.169000       1.135000      310.0986      -22.6  
1 1 1 28 25 27 o 1.147000       1.053000      20.39584      -52.2  
1 1 1 28 25 28 o -0.9222000     1.087000      22.90237      -60.8  
1 1 1 28 25 29 o -0.5279000     1.092000      34.83918      -31.5  
1 1 1 28 25 30 o 0.9166000      1.069000      80.96351      -36.5  
1 1 1 28 25 31 o 0.3124000      1.068000      49.37076      -4.8   
1 1 1 28 25 32 o 0.5584000      1.071000      75.39298      -113.8 
1 1 1 28 25 33 o -0.7551000     1.076000      96.98705      -23.2  
1 1 1 28 25 34 o 2.760000       1.107000      229.7479      158.7  
1 1 1 28 25 35 o -0.3335000     1.323000      16.02676      95.7   
1 1 1 28 25 36 o 8.144000       1.409000      396.8913      122.4  
1 1 1 28 25 37 o 0.8791000E-01  1.396000      119.4569      161.4  
1 1 1 28 25 38 o 1.571000       1.277000      213.2706      -114.0 
1 1 1 28 25 39 o -0.4301000     1.374000      131.4083      -41.6  
1 1 1 28 25 40 o 2.218000       1.284000      ?             ?      
1 1 1 28 25 41 o 3.270000       1.139000      ?             ?      
1 1 1 28 25 42 o 0.9838000      1.077000      ?             ?      
1 1 1 28 25 43 o 1.249000       1.156000      ?             ?      
1 1 1 28 25 44 o 0.7268000      1.166000      ?             ?      
1 1 1 28 25 45 o -1.775000      1.288000      ?             ?      
1 1 1 28 25 46 o 0.1702000      1.185000      ?             ?      
1 1 1 28 25 47 o 1.398000       1.193000      ?             ?      
1 1 1 28 25 48 o 0.1162000E-01  1.101000      ?             ?      
1 1 1 28 25 49 o 1.985000       1.118000      ?             ?      
1 1 1 28 25 50 o 0.3413000      1.130000      ?             ?      
1 1 1 28 25 51 o 1.771000       1.123000      ?             ?      
1 1 1 28 25 52 o 2.548000       1.150000      ?             ?      
1 1 1 28 25 53 o 0.7535000      1.160000      ?             ?      
1 1 1 28 25 54 o 1.229000       1.266000      ?             ?      
1 1 1 28 25 55 o -1.963000      1.248000      ?             ?      
1 1 1 28 25 56 o 2.129000       1.577000      ?             ?      
1 1 1 28 25 57 o -0.1275000     1.359000      ?             ?      
1 1 1 28 25 58 o -1.806000      1.272000      ?             ?      
1 1 1 28 25 59 o 1.619000       1.421000      ?             ?      
1 1 1 28 25 60 o -0.3947000     1.502000      ?             ?      
1 1 1 28 26 0  o 4.325000       1.297000      417.6509      -180.0 
1 1 1 28 26 1  o 0.1422000      0.9007000     166.9732      31.6   
1 1 1 28 26 2  o 0.5654000      0.9095000     177.4098      -148.0 
1 1 1 28 26 3  o 1.316000       0.9140000     23.84273      16.3   
1 1 1 28 26 4  o 3.878000       1.046000      202.3229      -129.5 
1 1 1 28 26 5  o 1.472000       1.014000      230.0096      154.6  
1 1 1 28 26 6  o 0.4842000      1.004000      141.2257      177.3  
1 1 1 28 26 7  o 0.3099000      0.9971000     75.68755      -50.4  
1 1 1 28 26 8  o 5.130000       0.9731000     274.8156      -60.6  
1 1 1 28 26 9  o 2.333000       0.9896000     311.1458      3.8    
1 1 1 28 26 10 o -0.3826000     0.9675000     70.79240      -87.5  
1 1 1 28 26 11 o 2.486000       0.9838000     208.0990      -127.2 
1 1 1 28 26 12 o -1.133000      0.9711000     61.39685      0.7    
1 1 1 28 26 13 o 4.510000       1.094000      301.9422      -169.2 
1 1 1 28 26 14 o 2.745000       1.184000      200.0185      139.3  
1 1 1 28 26 15 o 3.145000       1.246000      280.1920      -50.9  
1 1 1 28 26 16 o -2.300000      1.376000      189.9054      167.3  
1 1 1 28 26 17 o 0.8432000      1.255000      268.6732      -92.1  
1 1 1 28 26 18 o 2.379000       1.237000      311.1016      -99.8  
1 1 1 28 26 19 o 1.442000       1.428000      113.5844      161.6  
1 1 1 28 26 20 o 3.591000       1.675000      150.3178      2.1    
1 1 1 28 26 21 o -0.5439000     1.332000      138.1342      -119.4 
1 1 1 28 26 22 o -1.468000      1.176000      102.4543      -50.3  
1 1 1 28 26 23 o 1.111000       1.184000      193.4389      -175.6 
1 1 1 28 26 24 o 2.279000       1.155000      307.6601      129.0  
1 1 1 28 26 25 o 1.299000       1.168000      141.0425      154.9  
1 1 1 28 26 26 o 1.697000       1.053000      205.1872      -112.0 
1 1 1 28 26 27 o -0.5533000     1.038000      127.1997      113.7  
1 1 1 28 26 28 o -0.1559000E-01 1.090000      56.65126      -14.7  
1 1 1 28 26 29 o 1.729000       1.097000      101.7876      4.7    
1 1 1 28 26 30 o -0.5703000     1.063000      53.61153      -34.8  
1 1 1 28 26 31 o -0.5770000     1.121000      49.17937      -106.9 
1 1 1 28 26 32 o 1.866000       1.142000      168.7919      19.2   
1 1 1 28 26 33 o 0.9695000      1.090000      161.8587      95.3   
1 1 1 28 26 34 o -0.6526000     1.088000      21.43598      -59.0  
1 1 1 28 26 35 o 1.342000       1.145000      142.0885      -18.8  
1 1 1 28 26 36 o 0.1313000      1.296000      78.19939      43.4   
1 1 1 28 26 37 o 0.4757000      1.326000      177.7754      -35.8  
1 1 1 28 26 38 o 0.5556000      1.513000      99.60973      37.7   
1 1 1 28 26 39 o 0.4301000      1.490000      ?             ?      
1 1 1 28 26 40 o 1.834000       1.508000      ?             ?      
1 1 1 28 26 41 o 2.243000       1.103000      ?             ?      
1 1 1 28 26 42 o 0.7771000      1.059000      ?             ?      
1 1 1 28 26 43 o -1.185000      1.036000      ?             ?      
1 1 1 28 26 44 o 1.360000       1.137000      ?             ?      
1 1 1 28 26 45 o -1.405000      1.137000      ?             ?      
1 1 1 28 26 46 o -0.2303000     1.188000      ?             ?      
1 1 1 28 26 47 o 1.483000       1.172000      ?             ?      
1 1 1 28 26 48 o 1.546000       1.090000      ?             ?      
1 1 1 28 26 49 o 1.508000       1.112000      ?             ?      
1 1 1 28 26 50 o 1.069000       1.120000      ?             ?      
1 1 1 28 26 51 o -0.4559000E-01 1.115000      ?             ?      
1 1 1 28 26 52 o 0.5339000E-02  1.219000      ?             ?      
1 1 1 28 26 53 o -1.231000      1.160000      ?             ?      
1 1 1 28 26 54 o 0.1054000E-02  1.261000      ?             ?      
1 1 1 28 26 55 o 0.8636000      1.350000      ?             ?      
1 1 1 28 26 56 o -1.535000      1.528000      ?             ?      
1 1 1 28 26 57 o 1.055000       1.344000      ?             ?      
1 1 1 28 26 58 o 0.3576000      1.222000      ?             ?      
1 1 1 28 26 59 o 0.6233000      1.413000      ?             ?      
1 1 1 28 27 0  o 0.6570000      1.212000      12.46970      0.0    
1 1 1 28 27 1  o 1.558000       0.8729000     231.6904      2.4    
1 1 1 28 27 2  o 0.9538000      0.8888000     104.8816      -53.8  
1 1 1 28 27 3  o 0.7160000E-01  0.9064000     34.95942      -107.2 
1 1 1 28 27 4  o 2.535000       1.019000      311.7492      106.4  
1 1 1 28 27 5  o 2.739000       1.028000      177.6241      5.1    
1 1 1 28 27 6  o 1.267000       1.019000      219.5511      106.3  
1 1 1 28 27 7  o 1.603000       1.009000      225.3381      60.0   
1 1 1 28 27 8  o 1.001000       1.004000      75.88826      46.4   
1 1 1 28 27 9  o 0.4219000      0.9565000     35.31772      -155.4 
1 1 1 28 27 10 o 1.027000       0.9690000     159.7034      19.1   
1 1 1 28 27 11 o 1.050000       0.9770000     177.8936      -30.4  
1 1 1 28 27 12 o 0.5474000      0.9829000     92.77731      -146.8 
1 1 1 28 27 13 o -0.6769000     1.165000      61.64523      124.0  
1 1 1 28 27 14 o -2.407000      1.164000      80.51815      47.2   
1 1 1 28 27 15 o 2.355000       1.289000      284.1587      -5.0   
1 1 1 28 27 16 o 5.225000       1.265000      362.2271      31.5   
1 1 1 28 27 17 o 1.057000       1.269000      111.2103      -25.2  
1 1 1 28 27 18 o 0.4541000      1.260000      221.0859      -163.7 
1 1 1 28 27 19 f 1.915000       1.403000      64.07100      90.7   
1 1 1 28 27 20 o 3.810000       1.423000      255.8393      122.2  
1 1 1 28 27 21 o -0.4235000E-01 1.200000      135.2161      -27.1  
1 1 1 28 27 22 f 1.534000       1.219000      275.1824      140.3  
1 1 1 28 27 23 o 1.116000       1.309000      24.04461      -121.0 
1 1 1 28 27 24 o 0.6099000      1.206000      155.8484      29.4   
1 1 1 28 27 25 o 5.351000       1.175000      323.5834      -86.6  
1 1 1 28 27 26 o 0.1473000E-01  1.145000      104.5654      -120.8 
1 1 1 28 27 27 o -2.291000      1.051000      104.0650      6.9    
1 1 1 28 27 28 o -0.7015000     1.063000      61.40181      -2.8   
1 1 1 28 27 29 o 1.773000       1.084000      183.0255      33.6   
1 1 1 28 27 30 o -0.2401000     1.084000      190.6095      -153.4 
1 1 1 28 27 31 o 0.8308000      1.124000      119.4925      -153.9 
1 1 1 28 27 32 o -0.7496000     1.114000      104.8066      126.5  
1 1 1 28 27 33 o 0.7315000      1.082000      204.9918      138.4  
1 1 1 28 27 34 o 0.4787000      1.152000      145.3331      -149.7 
1 1 1 28 27 35 o 2.958000       1.209000      212.9821      102.0  
1 1 1 28 27 36 o -0.3633000     1.369000      68.38632      -3.9   
1 1 1 28 27 37 o 0.5373000      1.417000      136.3749      122.1  
1 1 1 28 27 38 o 1.989000       1.689000      ?             ?      
1 1 1 28 27 39 o 0.3948000E-02  1.456000      ?             ?      
1 1 1 28 27 40 o 2.784000       1.219000      ?             ?      
1 1 1 28 27 41 o -0.9364000     1.071000      ?             ?      
1 1 1 28 27 42 o -0.9614000     1.113000      ?             ?      
1 1 1 28 27 43 o 0.3765000      1.037000      ?             ?      
1 1 1 28 27 44 o 2.086000       1.055000      ?             ?      
1 1 1 28 27 45 o -1.099000      1.113000      ?             ?      
1 1 1 28 27 46 o -0.4438000     1.190000      ?             ?      
1 1 1 28 27 47 o 0.3984000      1.160000      ?             ?      
1 1 1 28 27 48 o 1.366000       1.172000      ?             ?      
1 1 1 28 27 49 o -1.177000      1.098000      ?             ?      
1 1 1 28 27 50 o -0.2950000E-01 1.185000      ?             ?      
1 1 1 28 27 51 o 0.4934000      1.227000      ?             ?      
1 1 1 28 27 52 o 0.3313000      1.234000      ?             ?      
1 1 1 28 27 53 o 0.9462000      1.156000      ?             ?      
1 1 1 28 27 54 o -1.086000      1.216000      ?             ?      
1 1 1 28 27 55 o 0.8206000      1.370000      ?             ?      
1 1 1 28 27 56 o 0.2265000      1.326000      ?             ?      
1 1 1 28 27 57 o 0.8577000      1.246000      ?             ?      
1 1 1 28 27 58 o -0.7006000     1.313000      ?             ?      
1 1 1 28 27 59 o 1.886000       1.428000      ?             ?      
1 1 1 28 28 0  o -0.3937000     1.209000      130.6237      0.0    
1 1 1 28 28 1  o 0.2428000      0.8675000     141.4317      26.5   
1 1 1 28 28 2  o 4.013000       0.9081000     297.3282      160.9  
1 1 1 28 28 3  o 0.5396000      0.9088000     204.6385      -127.9 
1 1 1 28 28 4  o -0.1382000     1.037000      194.8089      143.3  
1 1 1 28 28 5  o 0.8960000      1.023000      200.5787      178.2  
1 1 1 28 28 6  o 0.2069000      1.023000      80.03191      -135.8 
1 1 1 28 28 7  o 0.9448000E-01  1.002000      210.6354      -114.9 
1 1 1 28 28 8  o 0.3829000      1.004000      155.6651      118.2  
1 1 1 28 28 9  o 0.2777000      1.012000      91.96214      22.8   
1 1 1 28 28 10 o -0.2935000E-01 0.9530000     112.7043      -114.3 
1 1 1 28 28 11 o -2.001000      0.9673000     67.81905      53.6   
1 1 1 28 28 12 o -0.7978000     1.078000      111.4450      103.3  
1 1 1 28 28 13 o -1.437000      1.161000      56.59277      77.9   
1 1 1 28 28 14 o -0.1800000     1.230000      214.0823      115.2  
1 1 1 28 28 15 o -2.098000      1.248000      5.656961      -56.5  
1 1 1 28 28 16 o -0.2491000     1.155000      103.4516      142.0  
1 1 1 28 28 17 o 1.498000       1.255000      193.4763      -110.7 
1 1 1 28 28 18 o 1.184000       1.446000      81.02245      97.9   
1 1 1 28 28 19 o 7.983000       1.509000      350.1699      -149.3 
1 1 1 28 28 20 o 0.2742000      1.248000      88.59026      108.4  
1 1 1 28 28 21 o -0.6573000     1.192000      40.31523      -161.9 
1 1 1 28 28 22 o 2.108000       1.221000      94.91130      -34.3  
1 1 1 28 28 23 o 3.723000       1.227000      215.7340      -163.9 
1 1 1 28 28 24 o 1.985000       1.197000      155.8675      95.5   
1 1 1 28 28 25 o 0.5282000      1.327000      79.57285      -8.4   
1 1 1 28 28 26 o 0.6003000      1.323000      110.0988      -7.9   
1 1 1 28 28 27 o 1.553000       1.211000      135.3223      168.0  
1 1 1 28 28 28 o -0.6458000     1.100000      95.01049      55.6   
1 1 1 28 28 29 o 3.079000       1.091000      310.7907      -38.5  
1 1 1 28 28 30 o 0.3247000      1.071000      39.56671      -79.3  
1 1 1 28 28 31 o 1.507000       1.086000      181.5544      -82.3  
1 1 1 28 28 32 o -0.9977000     1.079000      79.90058      -167.4 
1 1 1 28 28 33 o 1.761000       1.079000      125.5043      8.8    
1 1 1 28 28 34 o -0.7472000     1.133000      45.05066      -74.0  
1 1 1 28 28 35 o 1.951000       1.157000      160.0832      -24.7  
1 1 1 28 28 36 o 0.5226000      1.421000      124.2507      -144.6 
1 1 1 28 28 37 o -0.2929000     1.394000      ?             ?      
1 1 1 28 28 38 o -0.7587000     1.575000      ?             ?      
1 1 1 28 28 39 o 1.581000       1.489000      ?             ?      
1 1 1 28 28 40 o -1.199000      1.188000      ?             ?      
1 1 1 28 28 41 o -1.438000      1.053000      ?             ?      
1 1 1 28 28 42 o -0.1104000     1.044000      ?             ?      
1 1 1 28 28 43 o -0.7877000     1.036000      ?             ?      
1 1 1 28 28 44 o 1.121000       1.024000      ?             ?      
1 1 1 28 28 45 o 0.8775000E-01  1.088000      ?             ?      
1 1 1 28 28 46 o 1.198000       1.093000      ?             ?      
1 1 1 28 28 47 o -1.039000      1.241000      ?             ?      
1 1 1 28 28 48 o 2.489000       1.165000      ?             ?      
1 1 1 28 28 49 o -0.6446000     1.203000      ?             ?      
1 1 1 28 28 50 o 0.6733000      1.222000      ?             ?      
1 1 1 28 28 51 o 0.4643000      1.121000      ?             ?      
1 1 1 28 28 52 o -1.288000      1.132000      ?             ?      
1 1 1 28 28 53 o 1.549000       1.157000      ?             ?      
1 1 1 28 28 54 o -1.162000      1.317000      ?             ?      
1 1 1 28 28 55 o -3.014000      1.595000      ?             ?      
1 1 1 28 28 56 o 0.3589000      1.357000      ?             ?      
1 1 1 28 28 57 o -1.147000      1.385000      ?             ?      
1 1 1 28 28 58 o -0.6908000     1.220000      ?             ?      
1 1 1 28 29 0  o -0.8719000     1.230000      120.8706      180.0  
1 1 1 28 29 1  o 0.7458000      0.8806000     47.13979      171.7  
1 1 1 28 29 2  o 0.2832000      0.9038000     169.7522      -60.9  
1 1 1 28 29 3  o -1.937000      0.8923000     69.22453      121.2  
1 1 1 28 29 4  o 0.7473000      1.035000      152.0090      32.1   
1 1 1 28 29 5  o 1.016000       1.014000      135.1926      -41.1  
1 1 1 28 29 6  o 0.3562000      1.027000      94.20486      -43.5  
1 1 1 28 29 7  o -1.065000      1.007000      40.41559      -75.3  
1 1 1 28 29 8  o -0.9988000     1.018000      103.2681      -18.6  
1 1 1 28 29 9  o 1.259000       1.038000      194.3190      -161.1 
1 1 1 28 29 10 o 0.8026000      1.052000      114.1086      13.0   
1 1 1 28 29 11 o -0.1898000     1.097000      115.4208      177.5  
1 1 1 28 29 12 o -0.7126000     1.169000      79.49269      -132.9 
1 1 1 28 29 13 o 0.5610000      1.236000      97.18977      -177.6 
1 1 1 28 29 14 o -0.9389000     1.220000      95.58222      121.6  
1 1 1 28 29 15 o -0.1398000     1.107000      110.2306      -37.6  
1 1 1 28 29 16 o 0.2860000      1.128000      74.68240      8.2    
1 1 1 28 29 17 o -0.1050000     1.257000      26.57909      -27.5  
1 1 1 28 29 18 o 2.769000       1.466000      190.5442      -53.7  
1 1 1 28 29 19 o 0.4645000      1.458000      122.2279      128.3  
1 1 1 28 29 20 o -1.888000      1.225000      33.25309      -52.5  
1 1 1 28 29 21 o 0.8233000      1.235000      206.6169      -36.7  
1 1 1 28 29 22 o -1.775000      1.187000      77.76460      162.5  
1 1 1 28 29 23 o 0.5116000      1.204000      73.63426      -17.9  
1 1 1 28 29 24 o 3.349000       1.223000      183.3451      -71.7  
1 1 1 28 29 25 o 0.9027000      1.247000      41.43623      -56.8  
1 1 1 28 29 26 o 0.8098000      1.264000      142.1690      140.1  
1 1 1 28 29 27 o -1.123000      1.245000      49.68327      75.7   
1 1 1 28 29 28 o 2.137000       1.391000      193.9472      20.9   
1 1 1 28 29 29 o 3.197000       1.162000      181.3326      -5.5   
1 1 1 28 29 30 o -0.2268000     1.069000      29.85516      -83.6  
1 1 1 28 29 31 o -2.860000      1.068000      49.76826      123.1  
1 1 1 28 29 32 o -0.4531000     1.076000      63.80374      83.3   
1 1 1 28 29 33 o 1.759000       1.071000      62.85107      -73.8  
1 1 1 28 29 34 o 0.4729000      1.082000      46.46876      134.1  
1 1 1 28 29 35 o -0.7922000     1.085000      46.39858      -52.3  
1 1 1 28 29 36 o -0.3626000     1.359000      ?             ?      
1 1 1 28 29 37 o -1.358000      1.613000      ?             ?      
1 1 1 28 29 38 o -0.5205000     1.492000      ?             ?      
1 1 1 28 29 39 o -0.8059000     1.396000      ?             ?      
1 1 1 28 29 40 o 0.7736000E-02  1.153000      ?             ?      
1 1 1 28 29 41 o 0.6157000E-01  1.245000      ?             ?      
1 1 1 28 29 42 o -0.2646000     1.134000      ?             ?      
1 1 1 28 29 43 o -1.555000      1.047000      ?             ?      
1 1 1 28 29 44 o -0.5396000     1.021000      ?             ?      
1 1 1 28 29 45 o 0.4733000      1.093000      ?             ?      
1 1 1 28 29 46 o -0.1715000     1.222000      ?             ?      
1 1 1 28 29 47 o -0.3496000     1.091000      ?             ?      
1 1 1 28 29 48 o 0.9456000      1.235000      ?             ?      
1 1 1 28 29 49 o 0.4269000      1.174000      ?             ?      
1 1 1 28 29 50 o 0.6266000      1.071000      ?             ?      
1 1 1 28 29 51 o 1.166000       1.105000      ?             ?      
1 1 1 28 29 52 o 0.1169000      1.136000      ?             ?      
1 1 1 28 29 53 o 0.7513000E-01  1.295000      ?             ?      
1 1 1 28 29 54 o -2.784000      1.953000      ?             ?      
1 1 1 28 29 55 o -0.8341000     1.585000      ?             ?      
1 1 1 28 29 56 o -0.4198000     1.761000      ?             ?      
1 1 1 28 29 57 o 0.7528000      1.209000      ?             ?      
1 1 1 28 29 58 o -0.3477000     3.081000      ?             ?      
1 1 1 28 30 0  o 0.5716000      1.193000      0.8125578     -180.0 
1 1 1 28 30 1  o 0.2555000      0.8565000     30.79506      22.8   
1 1 1 28 30 2  o 1.529000       0.8718000     129.5829      -178.4 
1 1 1 28 30 3  o -1.821000      0.8739000     75.05291      53.5   
1 1 1 28 30 4  o -0.2670000     0.8995000     113.7098      95.2   
1 1 1 28 30 5  o 1.401000       0.9944000     78.73137      76.1   
1 1 1 28 30 6  o 1.128000       1.010000      99.30453      43.8   
1 1 1 28 30 7  o -0.1209000     1.001000      37.29362      24.2   
1 1 1 28 30 8  o -0.1797000     1.017000      60.32574      -162.5 
1 1 1 28 30 9  o 1.211000       1.042000      119.7124      -6.8   
1 1 1 28 30 10 o 0.1101000E-01  1.087000      78.33728      -109.6 
1 1 1 28 30 11 o -1.032000      1.382000      67.88878      66.7   
1 1 1 28 30 12 o 2.094000       1.278000      144.7333      -93.7  
1 1 1 28 30 13 o -0.7859000     1.255000      77.64899      -18.5  
1 1 1 28 30 14 o -1.006000      1.118000      41.47780      140.7  
1 1 1 28 30 15 o 0.5907000      1.135000      9.283070      -177.7 
1 1 1 28 30 16 o -0.1820000     1.143000      62.04564      16.3   
1 1 1 28 30 17 o 0.7260000      1.488000      22.61760      -98.5  
1 1 1 28 30 18 o -3.058000      1.475000      91.07156      -158.0 
1 1 1 28 30 19 o 0.9890000      1.495000      62.18747      -64.7  
1 1 1 28 30 20 o -0.1096000     1.265000      102.1781      52.5   
1 1 1 28 30 21 o 0.3472000      1.237000      58.39318      17.5   
1 1 1 28 30 22 o 0.2990000      1.242000      85.20869      -6.8   
1 1 1 28 30 23 o 0.3564000      1.227000      93.76174      165.3  
1 1 1 28 30 24 o -2.369000      1.218000      43.64181      151.2  
1 1 1 28 30 25 o -2.293000      1.223000      44.11255      -76.3  
1 1 1 28 30 26 o -0.9105000     1.276000      126.0046      -177.6 
1 1 1 28 30 27 o -1.181000      1.286000      94.90445      -117.5 
1 1 1 28 30 28 o 2.447000       1.307000      171.9091      58.5   
1 1 1 28 30 29 o 1.466000       1.271000      83.32606      64.9   
1 1 1 28 30 30 o -0.9385000     1.096000      39.74029      97.7   
1 1 1 28 30 31 o -1.137000      1.086000      101.3880      -91.0  
1 1 1 28 30 32 o -0.8553000     1.097000      14.00702      98.1   
1 1 1 28 30 33 o 1.519000       1.075000      126.0916      0.2    
1 1 1 28 30 34 o -0.3862000E-01 1.075000      26.57649      10.1   
1 1 1 28 30 35 o 0.5767000      1.107000      ?             ?      
1 1 1 28 30 36 o -0.3919000     1.116000      ?             ?      
1 1 1 28 30 37 o -0.2776000     1.339000      ?             ?      
1 1 1 28 30 38 o 0.4039000      1.378000      ?             ?      
1 1 1 28 30 39 o -1.993000      1.371000      ?             ?      
1 1 1 28 30 40 o -0.8396000     1.154000      ?             ?      
1 1 1 28 30 41 o 0.2117000      1.137000      ?             ?      
1 1 1 28 30 42 o 1.356000       1.052000      ?             ?      
1 1 1 28 30 43 o 1.701000       1.149000      ?             ?      
1 1 1 28 30 44 o 0.9013000      1.236000      ?             ?      
1 1 1 28 30 45 o 0.2989000      1.209000      ?             ?      
1 1 1 28 30 46 o -0.8989000     1.078000      ?             ?      
1 1 1 28 30 47 o -1.360000      1.078000      ?             ?      
1 1 1 28 30 48 o 2.788000       1.201000      ?             ?      
1 1 1 28 30 49 o -0.2331000E-02 1.172000      ?             ?      
1 1 1 28 30 50 o -0.6049000     1.176000      ?             ?      
1 1 1 28 30 51 o 0.7451000      1.138000      ?             ?      
1 1 1 28 30 52 o 1.064000       1.177000      ?             ?      
1 1 1 28 30 53 o 1.429000       1.595000      ?             ?      
1 1 1 28 30 54 o -0.4471000     1.458000      ?             ?      
1 1 1 28 30 55 o 0.3238000      1.232000      ?             ?      
1 1 1 28 30 56 o -0.8138000     1.183000      ?             ?      
1 1 1 28 30 57 o 1.306000       1.210000      ?             ?      
1 1 1 28 31 0  o -0.3712000     1.154000      64.82456      -180.0 
1 1 1 28 31 1  o 0.9159000E-01  0.8126000     30.82344      -120.3 
1 1 1 28 31 2  o -0.8030000     0.8267000     44.37630      168.3  
1 1 1 28 31 3  o 0.3307000      0.8515000     32.50505      158.2  
1 1 1 28 31 4  o 1.554000       0.8814000     75.72718      71.0   
1 1 1 28 31 5  o 0.7999000      0.9705000     88.01947      -72.3  
1 1 1 28 31 6  o -0.3605000     1.009000      57.03594      168.8  
1 1 1 28 31 7  o -0.5448000     1.021000      43.42282      81.7   
1 1 1 28 31 8  o -0.9203000     1.024000      33.33077      53.8   
1 1 1 28 31 9  o -1.857000      1.044000      18.96429      142.2  
1 1 1 28 31 10 o 1.572000       1.290000      66.45824      -1.6   
1 1 1 28 31 11 o -0.3613000     1.477000      38.12991      116.1  
1 1 1 28 31 12 o 2.290000       1.531000      72.38915      -63.6  
1 1 1 28 31 13 o 1.134000       1.153000      82.51943      -16.3  
1 1 1 28 31 14 o -0.2055000     1.143000      51.31179      126.8  
1 1 1 28 31 15 o -0.1466000     1.158000      46.25170      179.5  
1 1 1 28 31 16 o 1.816000       1.203000      75.26691      54.7   
1 1 1 28 31 17 o 2.853000       1.525000      63.69347      26.8   
1 1 1 28 31 18 o 0.4751000      1.496000      84.95022      45.0   
1 1 1 28 31 19 o -0.1500000     1.286000      25.56203      43.8   
1 1 1 28 31 20 o 0.4572000      1.279000      23.34444      13.8   
1 1 1 28 31 21 o -0.9877000     1.286000      84.78265      40.5   
1 1 1 28 31 22 o 0.1007000      1.268000      48.97002      87.2   
1 1 1 28 31 23 o -0.1979000     1.271000      40.91341      -5.1   
1 1 1 28 31 24 o -0.7543000     1.268000      111.5650      -87.4  
1 1 1 28 31 25 o -0.6169000     1.275000      58.22441      76.7   
1 1 1 28 31 26 o -0.2988000     1.281000      96.22371      131.3  
1 1 1 28 31 27 o 0.7485000      1.307000      50.18793      -67.4  
1 1 1 28 31 28 o -1.462000      1.291000      48.85485      -7.4   
1 1 1 28 31 29 o -0.4071000     1.250000      11.27754      -142.4 
1 1 1 28 31 30 o -1.486000      1.232000      42.25615      -43.1  
1 1 1 28 31 31 o 0.9915000E-01  1.134000      2.857392      108.9  
1 1 1 28 31 32 o 0.8212000      1.092000      29.35193      12.3   
1 1 1 28 31 33 o -0.7243000E-01 1.055000      ?             ?      
1 1 1 28 31 34 o 0.1776000      1.092000      ?             ?      
1 1 1 28 31 35 o 0.4206000      1.094000      ?             ?      
1 1 1 28 31 36 o 0.5857000      1.224000      ?             ?      
1 1 1 28 31 37 o 0.9479000      1.334000      ?             ?      
1 1 1 28 31 38 o -0.7655000     1.282000      ?             ?      
1 1 1 28 31 39 o -2.869000      1.271000      ?             ?      
1 1 1 28 31 40 o -0.1919000     1.120000      ?             ?      
1 1 1 28 31 41 o -1.555000      1.219000      ?             ?      
1 1 1 28 31 42 o 0.4746000E-02  1.068000      ?             ?      
1 1 1 28 31 43 o -0.7970000     1.113000      ?             ?      
1 1 1 28 31 44 o 1.092000       1.055000      ?             ?      
1 1 1 28 31 45 o 0.3378000      1.044000      ?             ?      
1 1 1 28 31 46 o -1.457000      1.016000      ?             ?      
1 1 1 28 31 47 o -0.3275000     1.189000      ?             ?      
1 1 1 28 31 48 o -0.2937000     1.200000      ?             ?      
1 1 1 28 31 49 o -1.053000      1.449000      ?             ?      
1 1 1 28 31 50 o -1.564000      1.280000      ?             ?      
1 1 1 28 31 51 o -0.6572000     1.318000      ?             ?      
1 1 1 28 31 52 o 0.3759000      1.126000      ?             ?      
1 1 1 28 31 53 o 0.7373000      1.651000      ?             ?      
1 1 1 28 31 54 o 1.294000       1.313000      ?             ?      
1 1 1 28 31 55 o 1.977000       1.219000      ?             ?      
1 1 1 28 31 56 o -0.7809000     1.190000      ?             ?      
1 1 1 28 32 0  o 0.8486000      1.144000      101.9945      -180.0 
1 1 1 28 32 1  o -0.7018000     0.8233000     19.59141      47.0   
1 1 1 28 32 2  o 0.6373000      0.8383000     21.38743      -59.9  
1 1 1 28 32 3  o -0.3609000     0.8668000     44.53271      93.3   
1 1 1 28 32 4  o -1.659000      0.8896000     86.25333      101.8  
1 1 1 28 32 5  o -1.723000      0.9968000     21.57685      -128.3 
1 1 1 28 32 6  o -0.6474000     1.016000      41.84639      18.1   
1 1 1 28 32 7  o -0.4319000     1.090000      68.91174      -112.4 
1 1 1 28 32 8  o 0.3312000      1.060000      60.71464      169.7  
1 1 1 28 32 9  o 0.8988000      1.245000      34.59094      135.7  
1 1 1 28 32 10 o -0.6278000     1.510000      16.28645      -178.1 
1 1 1 28 32 11 o 1.704000       1.507000      57.10935      39.6   
1 1 1 28 32 12 o -0.4176000     1.513000      78.32120      -33.0  
1 1 1 28 32 13 o 0.9522000      1.281000      33.57788      -94.3  
1 1 1 28 32 14 o -0.8004000     1.144000      73.27685      155.5  
1 1 1 28 32 15 o -2.339000      1.180000      12.47004      -59.7  
1 1 1 28 32 16 o -1.744000      1.354000      82.42284      -62.8  
1 1 1 28 32 17 o -1.029000      1.537000      100.7014      168.2  
1 1 1 28 32 18 o 0.5818000      1.560000      44.62098      71.5   
1 1 1 28 32 19 o -0.4984000     1.315000      25.55698      103.8  
1 1 1 28 32 20 o -0.2099000     1.302000      69.67291      -150.6 
1 1 1 28 32 21 o 0.3388000      1.308000      17.80264      -45.5  
1 1 1 28 32 22 o 1.386000       1.330000      87.48806      97.2   
1 1 1 28 32 23 f -0.7033000     1.326000      65.45088      118.8  
1 1 1 28 32 24 o -1.499000      1.330000      28.54137      -106.7 
1 1 1 28 32 25 o -1.050000      1.316000      53.07680      -139.4 
1 1 1 28 32 26 o 0.1367000      1.325000      72.00993      -155.7 
1 1 1 28 32 27 o 0.6250000      1.319000      68.56702      10.9   
1 1 1 28 32 28 o 0.4485000      1.282000      46.78133      44.6   
1 1 1 28 32 29 o 0.3338000E-02  1.258000      90.33181      66.9   
1 1 1 28 32 30 o -0.5046000     1.222000      43.52713      15.0   
1 1 1 28 32 31 o 1.649000       1.223000      30.15751      -81.3  
1 1 1 28 32 32 o 1.350000       1.272000      ?             ?      
1 1 1 28 32 33 o -0.5652000E-01 1.040000      ?             ?      
1 1 1 28 32 34 o 0.4338000      1.136000      ?             ?      
1 1 1 28 32 35 o -0.8682000     1.134000      ?             ?      
1 1 1 28 32 36 o -0.2472000     1.190000      ?             ?      
1 1 1 28 32 37 o -0.8348000     1.332000      ?             ?      
1 1 1 28 32 38 o 0.8721000      1.412000      ?             ?      
1 1 1 28 32 39 o -0.9494000     2.275000      ?             ?      
1 1 1 28 32 40 o 1.362000       1.307000      ?             ?      
1 1 1 28 32 41 o -0.3257000     1.218000      ?             ?      
1 1 1 28 32 42 o -0.1490000     1.080000      ?             ?      
1 1 1 28 32 43 o -0.6969000     0.9958000     ?             ?      
1 1 1 28 32 44 o -1.521000      0.9914000     ?             ?      
1 1 1 28 32 45 o -1.219000      1.006000      ?             ?      
1 1 1 28 32 46 o -0.2906000     1.044000      ?             ?      
1 1 1 28 32 47 o -1.082000      1.133000      ?             ?      
1 1 1 28 32 48 o 0.5727000      1.372000      ?             ?      
1 1 1 28 32 49 o -1.156000      1.337000      ?             ?      
1 1 1 28 32 50 o -1.809000      1.264000      ?             ?      
1 1 1 28 32 51 o 0.4396000E-01  1.340000      ?             ?      
1 1 1 28 32 52 o -0.5495000     1.193000      ?             ?      
1 1 1 28 32 53 o 0.8932000E-01  1.285000      ?             ?      
1 1 1 28 32 54 o 0.6581000      1.147000      ?             ?      
1 1 1 28 32 55 o 0.2503000      1.129000      ?             ?      
1 1 1 28 33 0  o 0.3601000E-01  1.172000      6.504474      0.0    
1 1 1 28 33 1  o -1.468000      0.8322000     26.82275      -111.8 
1 1 1 28 33 2  o 0.3850000      0.8559000     101.6283      -166.6 
1 1 1 28 33 3  o -0.1008000E-01 0.8765000     23.18919      -162.9 
1 1 1 28 33 4  o 0.1764000      0.8968000     44.63405      -56.2  
1 1 1 28 33 5  o -0.1613000     1.038000      69.41319      -156.7 
1 1 1 28 33 6  o -0.4875000     1.042000      38.78592      5.4    
1 1 1 28 33 7  o -0.3098000     1.073000      48.23845      66.3   
1 1 1 28 33 8  o -0.4707000     1.138000      74.40157      -164.5 
1 1 1 28 33 9  o 1.899000       1.499000      53.87447      -176.8 
1 1 1 28 33 10 o 0.7184000      1.517000      41.22937      -159.4 
1 1 1 28 33 11 o -0.4405000     1.529000      28.80804      -48.7  
1 1 1 28 33 12 o 0.3592000      1.199000      98.03680      -12.6  
1 1 1 28 33 13 o -3.009000      1.286000      28.64762      -109.0 
1 1 1 28 33 14 o -0.5854000     1.305000      29.59187      -4.5   
1 1 1 28 33 15 o -1.247000      1.202000      41.86898      162.4  
1 1 1 28 33 16 o -0.9182000     1.400000      8.965659      -20.2  
1 1 1 28 33 17 o 2.222000       1.608000      75.10088      -134.2 
1 1 1 28 33 18 o -0.9355000     1.370000      33.48123      -148.9 
1 1 1 28 33 19 o -0.3321000E-02 1.329000      51.43275      -17.7  
1 1 1 28 33 20 o -0.1834000E-01 1.312000      44.49878      28.3   
1 1 1 28 33 21 o 2.356000       1.344000      74.85001      130.2  
1 1 1 28 33 22 o -0.5991000     1.363000      134.5331      -159.1 
1 1 1 28 33 23 o 0.7803000      1.374000      81.69678      80.3   
1 1 1 28 33 24 o -0.5554000     1.334000      91.26727      -60.3  
1 1 1 28 33 25 o -1.552000      1.340000      77.81738      -175.2 
1 1 1 28 33 26 o -1.088000      1.323000      62.62486      105.7  
1 1 1 28 33 27 o -1.341000      1.309000      31.88787      -95.6  
1 1 1 28 33 28 o 0.2024000      1.273000      86.72982      172.2  
1 1 1 28 33 29 o -0.1826000E-01 1.262000      53.95156      117.6  
1 1 1 28 33 30 o -0.5281000     1.260000      32.53946      -82.2  
1 1 1 28 33 31 o -1.329000      1.242000      ?             ?      
1 1 1 28 33 32 o 1.240000       1.229000      ?             ?      
1 1 1 28 33 33 o -1.060000      1.412000      ?             ?      
1 1 1 28 33 34 o -1.788000      1.069000      ?             ?      
1 1 1 28 33 35 o -1.526000      1.163000      ?             ?      
1 1 1 28 33 36 o -3.013000      1.355000      ?             ?      
1 1 1 28 33 37 o -0.2490000     1.437000      ?             ?      
1 1 1 28 33 38 o -2.045000      1.386000      ?             ?      
1 1 1 28 33 39 o -2.335000      1.193000      ?             ?      
1 1 1 28 33 40 o -3.164000      1.193000      ?             ?      
1 1 1 28 33 41 o 0.3842000      1.104000      ?             ?      
1 1 1 28 33 42 o 1.759000       1.112000      ?             ?      
1 1 1 28 33 43 o -1.124000      0.9971000     ?             ?      
1 1 1 28 33 44 o 1.947000       1.013000      ?             ?      
1 1 1 28 33 45 o -1.053000      1.075000      ?             ?      
1 1 1 28 33 46 o 0.9985000      1.175000      ?             ?      
1 1 1 28 33 47 o 0.9924000      1.026000      ?             ?      
1 1 1 28 33 48 o -0.2240000     1.106000      ?             ?      
1 1 1 28 33 49 o -0.5195000     1.137000      ?             ?      
1 1 1 28 33 50 o 0.8505000E-01  1.300000      ?             ?      
1 1 1 28 33 51 o 1.209000       1.363000      ?             ?      
1 1 1 28 33 52 o -0.2016000     1.458000      ?             ?      
1 1 1 28 33 53 o 0.5929000      1.584000      ?             ?      
1 1 1 28 33 54 o -0.1327000     1.213000      ?             ?      
1 1 1 28 33 55 o -0.7473000     1.616000      ?             ?      
1 1 1 28 34 0  o 0.5286000      1.199000      47.25996      180.0  
1 1 1 28 34 1  o 0.2986000      0.8528000     101.5654      38.2   
1 1 1 28 34 2  o -0.9379000     0.8439000     42.19685      90.7   
1 1 1 28 34 3  o -0.1652000     0.8609000     103.0474      -68.7  
1 1 1 28 34 4  o 1.872000       0.9167000     52.83993      147.1  
1 1 1 28 34 5  o -1.702000      1.071000      51.12625      -13.8  
1 1 1 28 34 6  o -1.543000      1.069000      104.8038      -87.4  
1 1 1 28 34 7  o -0.3519000     1.115000      52.57873      -74.3  
1 1 1 28 34 8  o 1.799000       1.515000      89.53214      -149.2 
1 1 1 28 34 9  o 0.5326000      1.518000      78.82229      -104.2 
1 1 1 28 34 10 o -0.9083000     1.584000      73.96862      38.5   
1 1 1 28 34 11 o 0.7424000      1.269000      34.73541      -47.2  
1 1 1 28 34 12 o 2.081000       1.218000      127.2451      -142.8 
1 1 1 28 34 13 o -0.4336000     1.304000      48.03437      -71.8  
1 1 1 28 34 14 o 0.2888000      1.345000      116.6939      -87.3  
1 1 1 28 34 15 o -0.7264000     1.618000      33.16018      -56.4  
1 1 1 28 34 16 o 0.9148000      1.401000      70.42198      -61.4  
1 1 1 28 34 17 o 0.6283000      1.621000      74.49340      154.3  
1 1 1 28 34 18 o 2.748000       1.381000      50.03214      95.4   
1 1 1 28 34 19 o -1.975000      1.349000      11.17227      116.6  
1 1 1 28 34 20 o 0.8699000E-01  1.357000      110.4939      -106.6 
1 1 1 28 34 21 o -0.7967000E-01 1.370000      109.0398      -39.1  
1 1 1 28 34 22 o 0.8029000E-01  1.393000      48.88638      -172.3 
1 1 1 28 34 23 o -1.295000      1.349000      26.01995      -20.4  
1 1 1 28 34 24 o 0.9144000      1.347000      80.49542      -130.0 
1 1 1 28 34 25 o -0.3243000     1.328000      73.79999      -24.1  
1 1 1 28 34 26 o -0.6596000     1.309000      39.43141      -16.1  
1 1 1 28 34 27 o -0.8129000     1.293000      59.86634      59.6   
1 1 1 28 34 28 o -0.7721000     1.293000      36.59963      107.6  
1 1 1 28 34 29 o 0.5721000      1.290000      ?             ?      
1 1 1 28 34 30 o 0.2345000      1.273000      ?             ?      
1 1 1 28 34 31 o 1.334000       1.248000      ?             ?      
1 1 1 28 34 32 o -0.5703000     1.228000      ?             ?      
1 1 1 28 34 33 o -1.299000      1.349000      ?             ?      
1 1 1 28 34 34 o -0.3924000     1.435000      ?             ?      
1 1 1 28 34 35 o 0.6716000      1.439000      ?             ?      
1 1 1 28 34 36 o 0.8956000      1.335000      ?             ?      
1 1 1 28 34 37 o 0.9955000      1.069000      ?             ?      
1 1 1 28 34 38 o -0.1250000     1.105000      ?             ?      
1 1 1 28 34 39 o -0.3237000     1.116000      ?             ?      
1 1 1 28 34 40 o -1.185000      1.234000      ?             ?      
1 1 1 28 34 41 o -0.9746000     1.151000      ?             ?      
1 1 1 28 34 42 o 1.143000       1.068000      ?             ?      
1 1 1 28 34 43 o -0.1200000     1.077000      ?             ?      
1 1 1 28 34 44 o -1.805000      1.234000      ?             ?      
1 1 1 28 34 45 o 0.2369000      1.047000      ?             ?      
1 1 1 28 34 46 o 0.7848000      1.017000      ?             ?      
1 1 1 28 34 47 o -0.9109000     1.013000      ?             ?      
1 1 1 28 34 48 o -2.444000      1.078000      ?             ?      
1 1 1 28 34 49 o 1.230000       1.133000      ?             ?      
1 1 1 28 34 50 o 0.4992000      1.189000      ?             ?      
1 1 1 28 34 51 o 0.8824000      2.036000      ?             ?      
1 1 1 28 34 52 o -0.1678000     1.477000      ?             ?      
1 1 1 28 34 53 o -2.023000      1.156000      ?             ?      
1 1 1 28 34 54 o 0.4257000      1.179000      ?             ?      
1 1 1 28 35 0  o 1.079000       1.248000      193.1658      -180.0 
1 1 1 28 35 1  o 2.143000       0.8807000     217.0161      130.7  
1 1 1 28 35 2  o -0.4861000     0.8560000     84.66918      -99.4  
1 1 1 28 35 3  o 0.3165000      0.8666000     28.09186      -18.2  
1 1 1 28 35 4  o 1.314000       0.8947000     247.1149      47.9   
1 1 1 28 35 5  o -0.2676000     1.115000      78.98440      -87.4  
1 1 1 28 35 6  o -0.9134000     1.115000      27.81696      -8.1   
1 1 1 28 35 7  o 1.672000       1.364000      175.8856      -50.2  
1 1 1 28 35 8  o -0.5380000     1.534000      140.8848      155.0  
1 1 1 28 35 9  o -1.076000      1.579000      48.53650      26.4   
1 1 1 28 35 10 o -0.1909000     1.412000      107.3337      -9.8   
1 1 1 28 35 11 o -0.3900000     1.263000      141.0368      2.6    
1 1 1 28 35 12 o 1.514000       1.217000      105.3047      -32.7  
1 1 1 28 35 13 o 0.5771000      1.367000      136.0467      -124.1 
1 1 1 28 35 14 o 0.1931000      1.365000      74.73376      117.4  
1 1 1 28 35 15 o -1.179000      1.689000      147.6412      -45.3  
1 1 1 28 35 16 o 0.2014000      1.700000      137.9221      -105.9 
1 1 1 28 35 17 o -1.376000      1.395000      33.41569      134.4  
1 1 1 28 35 18 f 0.2423000      1.381000      28.28013      149.7  
1 1 1 28 35 19 o 4.570000       1.403000      142.9658      -32.0  
1 1 1 28 35 20 o 0.2895000      1.373000      46.88755      31.7   
1 1 1 28 35 21 o 0.4001000      1.399000      105.7717      126.8  
1 1 1 28 35 22 o -0.1378000     1.386000      17.41241      -31.0  
1 1 1 28 35 23 o 4.212000       1.391000      152.5652      79.5   
1 1 1 28 35 24 o 1.412000       1.363000      60.99476      179.0  
1 1 1 28 35 25 o 0.6548000      1.357000      114.8042      -149.3 
1 1 1 28 35 26 o -0.5319000     1.318000      22.22555      103.5  
1 1 1 28 35 27 o -0.6493000     1.302000      94.67953      -175.6 
1 1 1 28 35 28 o 0.6901000E-01  1.293000      ?             ?      
1 1 1 28 35 29 o 0.8023000      1.295000      ?             ?      
1 1 1 28 35 30 o -0.9234000     1.282000      ?             ?      
1 1 1 28 35 31 o -0.5621000     1.244000      ?             ?      
1 1 1 28 35 32 o 2.127000       1.425000      ?             ?      
1 1 1 28 35 33 o -0.7694000     1.401000      ?             ?      
1 1 1 28 35 34 o 0.8310000      1.280000      ?             ?      
1 1 1 28 35 35 o -0.3660000     1.296000      ?             ?      
1 1 1 28 35 36 o 1.332000       1.055000      ?             ?      
1 1 1 28 35 37 o -1.043000      1.030000      ?             ?      
1 1 1 28 35 38 o -1.008000      1.075000      ?             ?      
1 1 1 28 35 39 o 0.6568000      1.090000      ?             ?      
1 1 1 28 35 40 o -0.2158000     1.157000      ?             ?      
1 1 1 28 35 41 o -0.9425000     1.160000      ?             ?      
1 1 1 28 35 42 o 0.5387000      1.170000      ?             ?      
1 1 1 28 35 43 o -1.117000      1.143000      ?             ?      
1 1 1 28 35 44 o 0.4281000      1.052000      ?             ?      
1 1 1 28 35 45 o 0.2750000      1.451000      ?             ?      
1 1 1 28 35 46 o -0.3883000     1.018000      ?             ?      
1 1 1 28 35 47 o 2.173000       1.064000      ?             ?      
1 1 1 28 35 48 o 0.7362000      1.054000      ?             ?      
1 1 1 28 35 49 o -0.4931000     1.054000      ?             ?      
1 1 1 28 35 50 o 1.019000       1.217000      ?             ?      
1 1 1 28 35 51 o 0.9513000E-01  1.534000      ?             ?      
1 1 1 28 35 52 o -1.825000      1.345000      ?             ?      
1 1 1 28 35 53 o 0.1879000      1.309000      ?             ?      
1 1 1 28 36 0  o -1.332000      1.274000      76.43973      0.0    
1 1 1 28 36 1  o 0.5205000      0.8964000     110.1819      -38.3  
1 1 1 28 36 2  o 2.010000       0.8915000     211.3877      -165.1 
1 1 1 28 36 3  o 0.6869000      0.8879000     137.2044      54.2   
1 1 1 28 36 4  o 0.6592000E-01  0.9021000     51.24904      -137.7 
1 1 1 28 36 5  o -0.6754000     1.154000      116.1330      122.4  
1 1 1 28 36 6  o 2.306000       1.349000      303.1509      5.3    
1 1 1 28 36 7  o -0.3343000     1.494000      68.77039      -58.2  
1 1 1 28 36 8  o 0.2819000      1.561000      183.9019      156.9  
1 1 1 28 36 9  o 2.193000       1.599000      66.61442      152.4  
1 1 1 28 36 10 o 0.5879000      1.278000      197.2020      80.7   
1 1 1 28 36 11 o -0.4198000     1.256000      99.51428      -77.9  
1 1 1 28 36 12 o -0.7699000E-01 1.228000      41.33107      137.7  
1 1 1 28 36 13 o 0.4826000      1.397000      197.7223      -21.0  
1 1 1 28 36 14 o 0.8531000      1.432000      79.82136      52.1   
1 1 1 28 36 15 o 1.313000       1.714000      185.0766      144.7  
1 1 1 28 36 16 o 2.601000       1.724000      144.7967      103.3  
1 1 1 28 36 17 o -0.6166000     1.659000      28.10140      -151.9 
1 1 1 28 36 18 o 0.5949000      1.374000      115.3982      94.2   
1 1 1 28 36 19 o -1.754000      1.380000      74.14809      -123.6 
1 1 1 28 36 20 o 1.406000       1.424000      133.2920      -33.7  
1 1 1 28 36 21 o -1.295000      1.394000      37.22692      78.5   
1 1 1 28 36 22 o 4.546000       1.419000      243.4612      135.6  
1 1 1 28 36 23 o -1.958000      1.386000      106.5376      -67.2  
1 1 1 28 36 24 o -1.705000      1.363000      82.21952      -52.0  
1 1 1 28 36 25 o -0.1432000     1.359000      72.07464      -30.2  
1 1 1 28 36 26 o 0.9205000      1.350000      ?             ?      
1 1 1 28 36 27 o -1.499000      1.302000      ?             ?      
1 1 1 28 36 28 o 0.2492000      1.289000      ?             ?      
1 1 1 28 36 29 o 0.1491000      1.299000      ?             ?      
1 1 1 28 36 30 o -1.019000      1.291000      ?             ?      
1 1 1 28 36 31 o 1.485000       1.330000      ?             ?      
1 1 1 28 36 32 o 0.6886000      1.454000      ?             ?      
1 1 1 28 36 33 o 0.5148000      1.262000      ?             ?      
1 1 1 28 36 34 o -0.6406000     1.225000      ?             ?      
1 1 1 28 36 35 o -1.522000      1.332000      ?             ?      
1 1 1 28 36 36 o -0.2976000     1.289000      ?             ?      
1 1 1 28 36 37 o 0.8490000      1.020000      ?             ?      
1 1 1 28 36 38 o -0.2769000E-01 1.131000      ?             ?      
1 1 1 28 36 39 o -1.681000      1.131000      ?             ?      
1 1 1 28 36 40 o -0.3012000     1.070000      ?             ?      
1 1 1 28 36 41 o -1.230000      1.140000      ?             ?      
1 1 1 28 36 42 o -0.8275000     1.061000      ?             ?      
1 1 1 28 36 43 o 0.8133000      1.059000      ?             ?      
1 1 1 28 36 44 o -0.3315000     0.9948000     ?             ?      
1 1 1 28 36 45 o 0.1883000      1.015000      ?             ?      
1 1 1 28 36 46 o -0.4328000E-01 1.072000      ?             ?      
1 1 1 28 36 47 o -0.4045000     1.078000      ?             ?      
1 1 1 28 36 48 o 0.3249000      1.084000      ?             ?      
1 1 1 28 36 49 o 1.241000       1.088000      ?             ?      
1 1 1 28 36 50 o -0.1457000     1.552000      ?             ?      
1 1 1 28 36 51 o -2.068000      1.554000      ?             ?      
1 1 1 28 36 52 o 0.2336000      1.426000      ?             ?      
1 1 1 28 37 0  o 0.4827000      1.285000      13.33660      180.0  
1 1 1 28 37 1  o -1.109000      0.8980000     21.98637      148.5  
1 1 1 28 37 2  o -0.4182000     0.9040000     67.90799      -127.1 
1 1 1 28 37 3  o -0.7415000     0.9019000     59.41902      -140.9 
1 1 1 28 37 4  o 1.633000       0.9281000     199.0568      138.7  
1 1 1 28 37 5  o -0.7808000     0.9936000     114.1616      -160.5 
1 1 1 28 37 6  o -0.1783000     1.482000      204.6646      -127.9 
1 1 1 28 37 7  o 2.781000       1.560000      196.5826      77.2   
1 1 1 28 37 8  o 3.244000       1.583000      17.75319      11.6   
1 1 1 28 37 9  o 1.761000       1.258000      119.6036      -144.3 
1 1 1 28 37 10 o 2.390000       1.264000      219.9384      -53.5  
1 1 1 28 37 11 o 1.433000       1.237000      74.43903      80.6   
1 1 1 28 37 12 o -0.1993000     1.240000      143.9552      -99.0  
1 1 1 28 37 13 o 1.899000       1.419000      169.3815      168.6  
1 1 1 28 37 14 o -1.238000      1.714000      94.15878      -11.6  
1 1 1 28 37 15 o 3.704000       1.750000      150.9877      -152.1 
1 1 1 28 37 16 o 0.9789000      1.455000      88.62482      177.7  
1 1 1 28 37 17 o 2.520000       1.657000      144.3036      -133.5 
1 1 1 28 37 18 o 0.4429000      1.611000      4.577307      -138.4 
1 1 1 28 37 19 o 0.6969000      1.411000      104.0718      -24.4  
1 1 1 28 37 20 o 3.215000       1.424000      243.1992      -159.6 
1 1 1 28 37 21 o -0.9753000E-01 1.397000      142.7357      120.0  
1 1 1 28 37 22 o 4.094000       1.418000      155.4003      30.7   
1 1 1 28 37 23 o 0.6048000      1.374000      91.39614      144.6  
1 1 1 28 37 24 o 0.5216000      1.383000      ?             ?      
1 1 1 28 37 25 o 2.211000       1.378000      ?             ?      
1 1 1 28 37 26 o 1.085000       1.339000      ?             ?      
1 1 1 28 37 27 o 2.243000       1.328000      ?             ?      
1 1 1 28 37 28 o -0.4780000     1.340000      ?             ?      
1 1 1 28 37 29 o -0.7929000     1.337000      ?             ?      
1 1 1 28 37 30 o -0.6382000     1.243000      ?             ?      
1 1 1 28 37 31 o -0.3857000     1.433000      ?             ?      
1 1 1 28 37 32 o 0.5452000      1.447000      ?             ?      
1 1 1 28 37 33 o 1.028000       1.260000      ?             ?      
1 1 1 28 37 34 o -0.2077000     1.226000      ?             ?      
1 1 1 28 37 35 o -0.7168000     1.377000      ?             ?      
1 1 1 28 37 36 o -2.528000      1.324000      ?             ?      
1 1 1 28 37 37 o 0.4731000      1.602000      ?             ?      
1 1 1 28 37 38 o 0.5805000E-02  1.621000      ?             ?      
1 1 1 28 37 39 o 1.250000       1.063000      ?             ?      
1 1 1 28 37 40 o -1.016000      1.057000      ?             ?      
1 1 1 28 37 41 o 2.927000       1.151000      ?             ?      
1 1 1 28 37 42 o 1.168000       1.142000      ?             ?      
1 1 1 28 37 43 o -0.6318000     1.051000      ?             ?      
1 1 1 28 37 44 o 0.7738000      1.065000      ?             ?      
1 1 1 28 37 45 o -0.1236000     1.002000      ?             ?      
1 1 1 28 37 46 o -0.1665000     1.013000      ?             ?      
1 1 1 28 37 47 o 1.579000       1.031000      ?             ?      
1 1 1 28 37 48 o 0.9434000      1.044000      ?             ?      
1 1 1 28 37 49 o 1.193000       1.595000      ?             ?      
1 1 1 28 37 50 o -1.004000      1.251000      ?             ?      
1 1 1 28 37 51 o 3.095000       1.453000      ?             ?      
1 1 1 28 38 0  o 1.001000       1.292000      49.88600      -0.0   
1 1 1 28 38 1  o 1.176000       0.9277000     181.9262      -60.9  
1 1 1 28 38 2  o 0.9772000      0.9383000     190.6652      -88.5  
1 1 1 28 38 3  o 3.957000       0.9524000     126.3536      51.0   
1 1 1 28 38 4  o 1.754000       0.9672000     128.5134      -127.8 
1 1 1 28 38 5  o 3.074000       1.055000      149.7156      20.5   
1 1 1 28 38 6  o -2.506000      1.479000      55.94335      -2.7   
1 1 1 28 38 7  o 2.037000       1.586000      81.07603      59.4   
1 1 1 28 38 8  o 2.640000       1.405000      247.3793      165.6  
1 1 1 28 38 9  o 2.110000       1.273000      223.7021      50.6   
1 1 1 28 38 10 o 1.451000       1.243000      132.2855      -142.3 
1 1 1 28 38 11 o 1.110000       1.260000      84.84739      80.2   
1 1 1 28 38 12 o 0.6880000E-01  1.271000      116.7988      -153.6 
1 1 1 28 38 13 o 1.117000       1.441000      86.05939      31.0   
1 1 1 28 38 14 o 0.3291000      1.699000      204.1914      143.7  
1 1 1 28 38 15 o 0.9829000      1.714000      123.0255      172.7  
1 1 1 28 38 16 o 3.846000       1.454000      222.6685      9.8    
1 1 1 28 38 17 o 2.470000       1.663000      141.6921      -164.8 
1 1 1 28 38 18 o 1.080000       1.689000      118.0227      -0.7   
1 1 1 28 38 19 o 2.295000       1.615000      97.39106      -120.0 
1 1 1 28 38 20 o 3.550000       1.405000      235.8507      87.5   
1 1 1 28 38 21 o 0.8579000      1.397000      121.2556      114.7  
1 1 1 28 38 22 o 1.408000       1.391000      ?             ?      
1 1 1 28 38 23 o 1.543000       1.365000      ?             ?      
1 1 1 28 38 24 o 0.3044000E-01  1.358000      ?             ?      
1 1 1 28 38 25 o 0.4340000      1.344000      ?             ?      
1 1 1 28 38 26 o 1.264000       1.406000      ?             ?      
1 1 1 28 38 27 o 0.9073000      1.372000      ?             ?      
1 1 1 28 38 28 o -0.7207000     1.293000      ?             ?      
1 1 1 28 38 29 o 1.752000       1.269000      ?             ?      
1 1 1 28 38 30 o -1.518000      1.438000      ?             ?      
1 1 1 28 38 31 o -1.067000      1.409000      ?             ?      
1 1 1 28 38 32 o -0.6935000     1.297000      ?             ?      
1 1 1 28 38 33 o 0.2698000E-01  1.411000      ?             ?      
1 1 1 28 38 34 o -0.3727000     1.436000      ?             ?      
1 1 1 28 38 35 o -0.3646000     1.925000      ?             ?      
1 1 1 28 38 36 o -1.050000      1.202000      ?             ?      
1 1 1 28 38 37 o -1.582000      1.183000      ?             ?      
1 1 1 28 38 38 o 0.3703000      1.193000      ?             ?      
1 1 1 28 38 39 o -0.7068000     1.645000      ?             ?      
1 1 1 28 38 40 o 0.7957000      1.074000      ?             ?      
1 1 1 28 38 41 o 0.5827000      1.068000      ?             ?      
1 1 1 28 38 42 o 0.4919000      1.145000      ?             ?      
1 1 1 28 38 43 o -0.2551000     1.065000      ?             ?      
1 1 1 28 38 44 o -0.5231000     1.063000      ?             ?      
1 1 1 28 38 45 o -0.9115000     0.9944000     ?             ?      
1 1 1 28 38 46 o -0.1486000     1.026000      ?             ?      
1 1 1 28 38 47 o 0.1991000      1.026000      ?             ?      
1 1 1 28 38 48 o 0.3435000      1.077000      ?             ?      
1 1 1 28 38 49 o 0.3687000      1.226000      ?             ?      
1 1 1 28 38 50 o 1.362000       1.400000      ?             ?      
1 1 1 28 39 0  o 2.902000       1.312000      71.22976      0.0    
1 1 1 28 39 1  o 0.2442000      0.9311000     76.81361      -139.0 
1 1 1 28 39 2  o 0.6502000      0.9437000     60.60221      -130.4 
1 1 1 28 39 3  o 2.469000       0.9760000     189.9581      135.2  
1 1 1 28 39 4  o 4.394000       1.042000      194.7610      176.1  
1 1 1 28 39 5  o 3.454000       1.104000      282.2334      -96.1  
1 1 1 28 39 6  o -0.2514000     1.488000      173.0811      -178.1 
1 1 1 28 39 7  o 3.843000       1.589000      242.1832      32.9   
1 1 1 28 39 8  o 3.183000       1.281000      309.0168      -150.7 
1 1 1 28 39 9  o 4.834000       1.302000      283.6028      -134.7 
1 1 1 28 39 10 o 3.615000       1.253000      179.2382      -99.6  
1 1 1 28 39 11 o 1.494000       1.251000      126.7707      -27.8  
1 1 1 28 39 12 o -0.2869000     1.277000      197.4038      -167.2 
1 1 1 28 39 13 f -0.1352000     1.674000      112.6399      -125.7 
1 1 1 28 39 14 o 2.004000       1.696000      169.3179      142.9  
1 1 1 28 39 15 o 4.240000       1.733000      230.0825      -173.6 
1 1 1 28 39 16 o -0.4984000     1.416000      199.8679      -28.5  
1 1 1 28 39 17 o 0.4697000      1.686000      79.01282      -135.4 
1 1 1 28 39 18 o 2.417000       1.645000      176.7850      -168.3 
1 1 1 28 39 19 o 1.319000       1.633000      ?             ?      
1 1 1 28 39 20 o 1.897000       1.629000      ?             ?      
1 1 1 28 39 21 o 0.9027000      1.378000      ?             ?      
1 1 1 28 39 22 o 4.146000       1.396000      ?             ?      
1 1 1 28 39 23 o 3.140000       1.413000      ?             ?      
1 1 1 28 39 24 o 0.2857000      1.415000      ?             ?      
1 1 1 28 39 25 o 1.254000       1.338000      ?             ?      
1 1 1 28 39 26 o -0.5238000     1.300000      ?             ?      
1 1 1 28 39 27 o 0.4464000      1.288000      ?             ?      
1 1 1 28 39 28 o 0.5822000      1.285000      ?             ?      
1 1 1 28 39 29 o -0.6135000     1.284000      ?             ?      
1 1 1 28 39 30 o 0.1924000      1.492000      ?             ?      
1 1 1 28 39 31 o 0.6136000      1.478000      ?             ?      
1 1 1 28 39 32 o -0.2712000     1.590000      ?             ?      
1 1 1 28 39 33 o 0.5134000      1.568000      ?             ?      
1 1 1 28 39 34 o -2.351000      1.347000      ?             ?      
1 1 1 28 39 35 o -1.395000      1.385000      ?             ?      
1 1 1 28 39 36 o 0.3663000E-01  1.222000      ?             ?      
1 1 1 28 39 37 o 0.8590000      1.195000      ?             ?      
1 1 1 28 39 38 o -0.3399000     1.211000      ?             ?      
1 1 1 28 39 39 o 1.306000       1.241000      ?             ?      
1 1 1 28 39 40 o 1.836000       1.576000      ?             ?      
1 1 1 28 39 41 o 0.5486000      1.115000      ?             ?      
1 1 1 28 39 42 o 0.8320000      1.136000      ?             ?      
1 1 1 28 39 43 o 0.6012000      1.055000      ?             ?      
1 1 1 28 39 44 o -1.133000      1.064000      ?             ?      
1 1 1 28 39 45 o 0.2008000      1.079000      ?             ?      
1 1 1 28 39 46 o -0.2664000     1.004000      ?             ?      
1 1 1 28 39 47 o 0.4437000      1.052000      ?             ?      
1 1 1 28 39 48 o -0.8004000     1.084000      ?             ?      
1 1 1 28 39 49 o 0.5311000      1.234000      ?             ?      
1 1 1 28 40 0  o 1.216000       1.315000      60.76170      -0.0   
1 1 1 28 40 1  o 1.783000       0.9384000     156.2096      -77.7  
1 1 1 28 40 2  o 1.424000       0.9445000     136.9694      -150.3 
1 1 1 28 40 3  o 0.9109000      0.9540000     33.53015      60.1   
1 1 1 28 40 4  o 3.694000       1.054000      210.9268      -105.6 
1 1 1 28 40 5  o 4.167000       1.130000      235.7040      -3.5   
1 1 1 28 40 6  o 0.1002000      1.499000      172.6206      21.1   
1 1 1 28 40 7  o 0.5303000      1.257000      119.0133      -67.6  
1 1 1 28 40 8  o -0.3503000     1.263000      198.1746      -179.7 
1 1 1 28 40 9  o 0.8838000      1.247000      169.4942      -97.0  
1 1 1 28 40 10 o -0.5069000     1.230000      32.55944      175.3  
1 1 1 28 40 11 o 0.8752000      1.282000      79.13207      167.7  
1 1 1 28 40 12 o -0.6871000     1.279000      164.9064      -98.8  
1 1 1 28 40 13 o 2.537000       1.693000      233.4365      -94.6  
1 1 1 28 40 14 o 1.140000       1.685000      89.98773      172.5  
1 1 1 28 40 15 o 0.2428000      1.400000      89.57095      104.4  
1 1 1 28 40 16 o 1.821000       1.706000      ?             ?      
1 1 1 28 40 17 o 9.062000       1.732000      ?             ?      
1 1 1 28 40 18 o 3.618000       1.660000      ?             ?      
1 1 1 28 40 19 o -0.5523000     1.603000      ?             ?      
1 1 1 28 40 20 o 0.9952000      1.635000      ?             ?      
1 1 1 28 40 21 o 1.421000       1.639000      ?             ?      
1 1 1 28 40 22 o 2.919000       1.437000      ?             ?      
1 1 1 28 40 23 o 1.847000       1.353000      ?             ?      
1 1 1 28 40 24 o -0.5306000     1.341000      ?             ?      
1 1 1 28 40 25 o 3.429000       1.349000      ?             ?      
1 1 1 28 40 26 o 0.8519000      1.299000      ?             ?      
1 1 1 28 40 27 o 0.1577000      1.307000      ?             ?      
1 1 1 28 40 28 o 0.9395000E-01  1.351000      ?             ?      
1 1 1 28 40 29 o -2.331000      1.592000      ?             ?      
1 1 1 28 40 30 o 3.086000       2.185000      ?             ?      
1 1 1 28 40 31 o 2.165000       1.268000      ?             ?      
1 1 1 28 40 32 o 0.1886000      1.234000      ?             ?      
1 1 1 28 40 33 o 0.3196000      1.384000      ?             ?      
1 1 1 28 40 34 o 0.1989000E-01  1.387000      ?             ?      
1 1 1 28 40 35 o -1.276000      1.214000      ?             ?      
1 1 1 28 40 36 o -0.3061000     1.219000      ?             ?      
1 1 1 28 40 37 o 0.2598000      1.226000      ?             ?      
1 1 1 28 40 38 o -1.474000      1.187000      ?             ?      
1 1 1 28 40 39 o 0.9993000      1.215000      ?             ?      
1 1 1 28 40 40 o 1.440000       1.580000      ?             ?      
1 1 1 28 40 41 o -0.4397000     1.594000      ?             ?      
1 1 1 28 40 42 o -0.7180000     1.670000      ?             ?      
1 1 1 28 40 43 o -0.5122000     1.132000      ?             ?      
1 1 1 28 40 44 o 1.001000       1.062000      ?             ?      
1 1 1 28 40 45 o -1.737000      1.089000      ?             ?      
1 1 1 28 40 46 o 0.2882000      1.025000      ?             ?      
1 1 1 28 40 47 o 1.314000       1.072000      ?             ?      
1 1 1 28 40 48 o 0.9941000      1.493000      ?             ?      
1 1 1 28 41 0  o 1.560000       1.328000      59.64581      180.0  
1 1 1 28 41 1  o 0.8537000      0.9376000     170.2962      -36.2  
1 1 1 28 41 2  o 0.7847000      0.9747000     202.8418      42.0   
1 1 1 28 41 3  o 0.2520000      0.9941000     63.03088      112.3  
1 1 1 28 41 4  o 2.350000       1.038000      182.2580      -178.1 
1 1 1 28 41 5  o 4.224000       1.147000      264.5383      -64.1  
1 1 1 28 41 6  o 2.646000       1.234000      193.1430      162.9  
1 1 1 28 41 7  o 2.881000       1.231000      200.3917      -19.3  
1 1 1 28 41 8  o 1.804000       1.230000      219.6013      -114.1 
1 1 1 28 41 9  o 3.455000       1.243000      253.2820      -132.1 
1 1 1 28 41 10 o 2.400000       1.252000      196.4618      -57.7  
1 1 1 28 41 11 o 7.933000       1.414000      310.0336      -0.1   
1 1 1 28 41 12 o -0.7001000     1.455000      ?             ?      
1 1 1 28 41 13 o 4.128000       1.748000      ?             ?      
1 1 1 28 41 14 o 2.731000       2.252000      ?             ?      
1 1 1 28 41 15 o 0.8618000      1.428000      ?             ?      
1 1 1 28 41 16 o 2.385000       1.405000      ?             ?      
1 1 1 28 41 17 o 3.208000       1.659000      ?             ?      
1 1 1 28 41 18 o -0.5986000     1.607000      ?             ?      
1 1 1 28 41 19 o -0.6075000     1.623000      ?             ?      
1 1 1 28 41 20 o -0.2344000     1.577000      ?             ?      
1 1 1 28 41 21 o 1.043000       1.606000      ?             ?      
1 1 1 28 41 22 o 5.752000       1.622000      ?             ?      
1 1 1 28 41 23 o 0.5841000      1.334000      ?             ?      
1 1 1 28 41 24 o 2.228000       1.328000      ?             ?      
1 1 1 28 41 25 o 0.2672000      1.378000      ?             ?      
1 1 1 28 41 26 o -0.8959000     1.309000      ?             ?      
1 1 1 28 41 27 o 1.163000       1.516000      ?             ?      
1 1 1 28 41 28 o 4.009000       2.186000      ?             ?      
1 1 1 28 41 29 o 0.8554000      1.513000      ?             ?      
1 1 1 28 41 30 o -0.7093000E-01 1.280000      ?             ?      
1 1 1 28 41 31 o 1.777000       1.279000      ?             ?      
1 1 1 28 41 32 o -0.9431000     1.247000      ?             ?      
1 1 1 28 41 33 o 0.2672000      1.438000      ?             ?      
1 1 1 28 41 34 o 0.5588000      1.413000      ?             ?      
1 1 1 28 41 35 o -0.9049000     1.240000      ?             ?      
1 1 1 28 41 36 o 0.3917000      1.224000      ?             ?      
1 1 1 28 41 37 o 1.272000       1.227000      ?             ?      
1 1 1 28 41 38 o 0.1846000      1.228000      ?             ?      
1 1 1 28 41 39 o 0.1018000      1.261000      ?             ?      
1 1 1 28 41 40 o 2.058000       1.590000      ?             ?      
1 1 1 28 41 41 o 3.472000       1.639000      ?             ?      
1 1 1 28 41 42 o -1.096000      1.607000      ?             ?      
1 1 1 28 41 43 o -2.796000      1.692000      ?             ?      
1 1 1 28 41 44 o 0.2503000      1.096000      ?             ?      
1 1 1 28 41 45 o 0.3100000      1.443000      ?             ?      
1 1 1 28 41 46 o -0.4969000     1.128000      ?             ?      
1 1 1 28 41 47 o -0.3752000     1.603000      ?             ?      
1 1 1 28 42 0  o 0.6542000      1.324000      50.95805      -0.0   
1 1 1 28 42 1  o 2.925000       0.9459000     231.4964      27.7   
1 1 1 28 42 2  o 0.4738000      0.9869000     87.57213      -129.4 
1 1 1 28 42 3  o -0.5258000     0.9787000     47.54814      -43.1  
1 1 1 28 42 4  o 1.116000       1.081000      154.7476      -11.8  
1 1 1 28 42 5  o 1.187000       1.104000      187.7753      -107.5 
1 1 1 28 42 6  o 1.337000       1.199000      ?             ?      
1 1 1 28 42 7  o 0.4362000      1.203000      ?             ?      
1 1 1 28 42 8  o 1.445000       1.207000      ?             ?      
1 1 1 28 42 9  o -0.1071000     1.195000      ?             ?      
1 1 1 28 42 10 o -0.8954000E-01 1.241000      ?             ?      
1 1 1 28 42 11 o 0.6244000      1.399000      ?             ?      
1 1 1 28 42 12 o 1.419000       1.710000      ?             ?      
1 1 1 28 42 13 o 1.168000       1.651000      ?             ?      
1 1 1 28 42 14 o 0.4315000E-01  1.368000      ?             ?      
1 1 1 28 42 15 o 0.8440000      1.393000      ?             ?      
1 1 1 28 42 16 o -0.3104000     1.400000      ?             ?      
1 1 1 28 42 17 o 2.481000       1.615000      ?             ?      
1 1 1 28 42 18 o 0.4579000      1.579000      ?             ?      
1 1 1 28 42 19 o -0.4393000     1.563000      ?             ?      
1 1 1 28 42 20 o 0.9081000      1.546000      ?             ?      
1 1 1 28 42 21 o 0.7812000      1.566000      ?             ?      
1 1 1 28 42 22 o -0.6144000     1.549000      ?             ?      
1 1 1 28 42 23 o -0.1610000     1.589000      ?             ?      
1 1 1 28 42 24 o 0.5707000      1.560000      ?             ?      
1 1 1 28 42 25 o 0.1243000      1.540000      ?             ?      
1 1 1 28 42 26 o 0.3130000E-01  1.303000      ?             ?      
1 1 1 28 42 27 o -0.8070000     1.288000      ?             ?      
1 1 1 28 42 28 o 0.2087000      1.527000      ?             ?      
1 1 1 28 42 29 o -0.5809000     1.519000      ?             ?      
1 1 1 28 42 30 o -1.467000      1.247000      ?             ?      
1 1 1 28 42 31 o -0.3784000     1.253000      ?             ?      
1 1 1 28 42 32 o -0.6674000     1.488000      ?             ?      
1 1 1 28 42 33 o 0.5796000      1.494000      ?             ?      
1 1 1 28 42 34 o -1.099000      1.257000      ?             ?      
1 1 1 28 42 35 o -1.339000      1.229000      ?             ?      
1 1 1 28 42 36 o -0.1032000     1.242000      ?             ?      
1 1 1 28 42 37 o -1.083000      1.240000      ?             ?      
1 1 1 28 42 38 o -0.2990000     1.238000      ?             ?      
1 1 1 28 42 39 o 1.293000       1.245000      ?             ?      
1 1 1 28 42 40 o 1.925000       1.276000      ?             ?      
1 1 1 28 42 41 o -0.7997000     1.608000      ?             ?      
1 1 1 28 42 42 o -1.675000      1.590000      ?             ?      
1 1 1 28 42 43 o 1.855000       1.687000      ?             ?      
1 1 1 28 42 44 o 1.281000       1.734000      ?             ?      
1 1 1 28 42 45 o -0.8150000     1.490000      ?             ?      
1 1 1 28 42 46 o -0.2600000     1.328000      ?             ?      
1 1 1 28 43 0  o -1.902000      1.272000      ?             ?      
1 1 1 28 43 1  o 2.205000       0.9307000     ?             ?      
1 1 1 28 43 2  o 1.156000       0.9799000     ?             ?      
1 1 1 28 43 3  o 0.9944000E-01  0.9776000     ?             ?      
1 1 1 28 43 4  o -0.3828000E-02 1.052000      ?             ?      
1 1 1 28 43 5  o -0.9177000     1.010000      ?             ?      
1 1 1 28 43 6  o 0.1385000      1.164000      ?             ?      
1 1 1 28 43 7  o 0.6099000      1.155000      ?             ?      
1 1 1 28 43 8  o 0.3663000      1.337000      ?             ?      
1 1 1 28 43 9  o -0.9853000     1.342000      ?             ?      
1 1 1 28 43 10 o 3.746000       1.256000      ?             ?      
1 1 1 28 43 11 o -0.6573000     1.401000      ?             ?      
1 1 1 28 43 12 o 0.6373000      1.372000      ?             ?      
1 1 1 28 43 13 o -1.379000      1.661000      ?             ?      
1 1 1 28 43 14 o 4.009000       1.423000      ?             ?      
1 1 1 28 43 15 o 1.225000       1.351000      ?             ?      
1 1 1 28 43 16 f 0.1905000      1.319000      ?             ?      
1 1 1 28 43 17 o 0.9128000      1.562000      ?             ?      
1 1 1 28 43 18 o 6.731000       1.614000      ?             ?      
1 1 1 28 43 19 o -0.1890000     1.550000      ?             ?      
1 1 1 28 43 20 o 2.173000       1.535000      ?             ?      
1 1 1 28 43 21 o -1.219000      1.517000      ?             ?      
1 1 1 28 43 22 o -1.872000      1.515000      ?             ?      
1 1 1 28 43 23 o 3.257000       1.524000      ?             ?      
1 1 1 28 43 24 o 1.592000       1.527000      ?             ?      
1 1 1 28 43 25 o 1.284000       1.522000      ?             ?      
1 1 1 28 43 26 o -2.884000      1.299000      ?             ?      
1 1 1 28 43 27 o 2.107000       1.578000      ?             ?      
1 1 1 28 43 28 o -0.4934000     1.553000      ?             ?      
1 1 1 28 43 29 o 1.102000       1.280000      ?             ?      
1 1 1 28 43 30 o 0.5961000      1.278000      ?             ?      
1 1 1 28 43 31 o 0.8262000      1.294000      ?             ?      
1 1 1 28 43 32 o -0.2356000     1.519000      ?             ?      
1 1 1 28 43 33 o 4.343000       1.570000      ?             ?      
1 1 1 28 43 34 o -0.1081000     1.278000      ?             ?      
1 1 1 28 43 35 o -2.013000      1.587000      ?             ?      
1 1 1 28 43 36 o 2.409000       1.255000      ?             ?      
1 1 1 28 43 37 o -0.2521000E-01 1.237000      ?             ?      
1 1 1 28 43 38 o 1.226000       1.249000      ?             ?      
1 1 1 28 43 39 o -0.4440000     1.233000      ?             ?      
1 1 1 28 43 40 o -0.2376000     1.252000      ?             ?      
1 1 1 28 43 41 o -1.562000      1.667000      ?             ?      
1 1 1 28 43 42 o 2.518000       3.042000      ?             ?      
1 1 1 28 43 43 o 0.4471000      1.640000      ?             ?      
1 1 1 28 43 44 o 1.189000       1.737000      ?             ?      
1 1 1 28 43 45 o -2.007000      4.729000      ?             ?      
1 1 1 28 44 0  o 0.1759000      1.245000      ?             ?      
1 1 1 28 44 1  o -0.5118000E-01 0.9411000     ?             ?      
1 1 1 28 44 2  o 0.2620000      0.9574000     ?             ?      
1 1 1 28 44 3  o 3.649000       1.055000      ?             ?      
1 1 1 28 44 4  o 0.4173000      0.9922000     ?             ?      
1 1 1 28 44 5  o 0.4490000      1.043000      ?             ?      
1 1 1 28 44 6  o 1.702000       1.344000      ?             ?      
1 1 1 28 44 7  o -1.694000      1.142000      ?             ?      
1 1 1 28 44 8  o 0.5501000      1.155000      ?             ?      
1 1 1 28 44 9  o 0.5046000      1.166000      ?             ?      
1 1 1 28 44 10 o 1.935000       1.326000      ?             ?      
1 1 1 28 44 11 o 0.5535000      1.469000      ?             ?      
1 1 1 28 44 12 o -0.9886000     1.343000      ?             ?      
1 1 1 28 44 13 o 1.174000       1.322000      ?             ?      
1 1 1 28 44 14 o 1.873000       1.345000      ?             ?      
1 1 1 28 44 15 o 0.1674000      1.334000      ?             ?      
1 1 1 28 44 16 o 0.3064000      1.298000      ?             ?      
1 1 1 28 44 17 o -1.078000      1.504000      ?             ?      
1 1 1 28 44 18 o 0.2347000      1.545000      ?             ?      
1 1 1 28 44 19 o 0.5969000E-01  1.529000      ?             ?      
1 1 1 28 44 20 o 0.6440000      1.486000      ?             ?      
1 1 1 28 44 21 o -0.3772000     1.488000      ?             ?      
1 1 1 28 44 22 o -1.168000      1.483000      ?             ?      
1 1 1 28 44 23 o -0.6630000     1.506000      ?             ?      
1 1 1 28 44 24 o 0.4234000      1.537000      ?             ?      
1 1 1 28 44 25 o 0.1405000      1.529000      ?             ?      
1 1 1 28 44 26 o 0.4964000      1.586000      ?             ?      
1 1 1 28 44 27 o -1.985000      1.536000      ?             ?      
1 1 1 28 44 28 o -0.8239000     1.320000      ?             ?      
1 1 1 28 44 29 o 0.6043000      1.281000      ?             ?      
1 1 1 28 44 30 o 1.292000       1.299000      ?             ?      
1 1 1 28 44 31 o -0.1200000     1.541000      ?             ?      
1 1 1 28 44 32 o -0.1063000     1.559000      ?             ?      
1 1 1 28 44 33 o 0.1535000      1.329000      ?             ?      
1 1 1 28 44 34 o 1.452000       1.319000      ?             ?      
1 1 1 28 44 35 o 1.118000       1.331000      ?             ?      
1 1 1 28 44 36 o 0.5753000      1.271000      ?             ?      
1 1 1 28 44 37 o -0.2634000     1.275000      ?             ?      
1 1 1 28 44 38 o -0.9424000E-01 1.250000      ?             ?      
1 1 1 28 44 39 o 1.963000       1.245000      ?             ?      
1 1 1 28 44 40 o -0.7665000     1.253000      ?             ?      
1 1 1 28 44 41 o -1.773000      1.289000      ?             ?      
1 1 1 28 44 42 o 2.147000       1.729000      ?             ?      
1 1 1 28 44 43 o 0.2021000      1.734000      ?             ?      
1 1 1 28 45 0  o -0.9305000     1.306000      ?             ?      
1 1 1 28 45 1  o 0.7002000      0.9246000     ?             ?      
1 1 1 28 45 2  o -1.320000      1.004000      ?             ?      
1 1 1 28 45 3  o -1.293000      1.127000      ?             ?      
1 1 1 28 45 4  o 0.1442000      1.027000      ?             ?      
1 1 1 28 45 5  o 1.247000       0.9671000     ?             ?      
1 1 1 28 45 6  o 0.8397000      1.136000      ?             ?      
1 1 1 28 45 7  o -0.5554000     1.178000      ?             ?      
1 1 1 28 45 8  o 1.440000       1.221000      ?             ?      
1 1 1 28 45 9  o -0.2224000E-01 1.204000      ?             ?      
1 1 1 28 45 10 o 0.7920000      1.192000      ?             ?      
1 1 1 28 45 11 o 1.147000       1.348000      ?             ?      
1 1 1 28 45 12 f -0.6236000     1.312000      ?             ?      
1 1 1 28 45 13 o -0.3375000E-01 1.266000      ?             ?      
1 1 1 28 45 14 o 0.9272000      1.279000      ?             ?      
1 1 1 28 45 15 o -0.8408000     1.376000      ?             ?      
1 1 1 28 45 16 o -1.277000      1.282000      ?             ?      
1 1 1 28 45 17 o 0.5265000      1.467000      ?             ?      
1 1 1 28 45 18 o 0.1017000      1.458000      ?             ?      
1 1 1 28 45 19 o 0.3471000      1.461000      ?             ?      
1 1 1 28 45 20 o 1.410000       1.490000      ?             ?      
1 1 1 28 45 21 o 0.4494000      1.493000      ?             ?      
1 1 1 28 45 22 o -1.027000      1.493000      ?             ?      
1 1 1 28 45 23 o -0.9779000     1.495000      ?             ?      
1 1 1 28 45 24 o -1.356000      1.501000      ?             ?      
1 1 1 28 45 25 o -2.230000      1.540000      ?             ?      
1 1 1 28 45 26 o -2.515000      2.055000      ?             ?      
1 1 1 28 45 27 o 3.566000       2.169000      ?             ?      
1 1 1 28 45 28 o 2.546000       1.308000      ?             ?      
1 1 1 28 45 29 o -1.049000      1.311000      ?             ?      
1 1 1 28 45 30 o -0.7313000     1.338000      ?             ?      
1 1 1 28 45 31 o -0.5260000     1.580000      ?             ?      
1 1 1 28 45 32 o 0.2243000      1.574000      ?             ?      
1 1 1 28 45 33 o 1.808000       1.336000      ?             ?      
1 1 1 28 45 34 o 2.075000       1.328000      ?             ?      
1 1 1 28 45 35 o 1.821000       1.312000      ?             ?      
1 1 1 28 45 36 o 0.9040000      1.337000      ?             ?      
1 1 1 28 45 37 o 2.426000       1.307000      ?             ?      
1 1 1 28 45 38 o -0.6629000E-01 1.290000      ?             ?      
1 1 1 28 45 39 o -0.2463000     1.267000      ?             ?      
1 1 1 28 45 40 o -2.683000      1.265000      ?             ?      
1 1 1 28 45 41 o -0.4213000     1.309000      ?             ?      
1 1 1 28 45 42 o -0.2247000     1.713000      ?             ?      
1 1 1 28 46 0  o 3.247000       1.831000      ?             ?      
1 1 1 28 46 1  o -0.2475000     1.082000      ?             ?      
1 1 1 28 46 2  o -0.7149000     1.114000      ?             ?      
1 1 1 28 46 3  o -0.2821000     0.9304000     ?             ?      
1 1 1 28 46 4  o -1.229000      1.247000      ?             ?      
1 1 1 28 46 5  o -0.2909000     0.9053000     ?             ?      
1 1 1 28 46 6  o -1.697000      1.110000      ?             ?      
1 1 1 28 46 7  o 0.2322000      1.104000      ?             ?      
1 1 1 28 46 8  o -0.4983000     1.142000      ?             ?      
1 1 1 28 46 9  o -2.175000      1.157000      ?             ?      
1 1 1 28 46 10 o 1.557000       1.335000      ?             ?      
1 1 1 28 46 11 o -1.474000      1.320000      ?             ?      
1 1 1 28 46 12 o -0.2133000     1.330000      ?             ?      
1 1 1 28 46 13 o 0.1221000E-01  1.260000      ?             ?      
1 1 1 28 46 14 o 1.847000       1.262000      ?             ?      
1 1 1 28 46 15 o 0.9383000      1.264000      ?             ?      
1 1 1 28 46 16 o -1.388000      1.220000      ?             ?      
1 1 1 28 46 17 o -0.7360000     1.437000      ?             ?      
1 1 1 28 46 18 o -0.5122000     1.459000      ?             ?      
1 1 1 28 46 19 o -0.6591000     1.463000      ?             ?      
1 1 1 28 46 20 o 0.4176000      1.493000      ?             ?      
1 1 1 28 46 21 o 0.7665000      1.495000      ?             ?      
1 1 1 28 46 22 o -0.7854000     1.483000      ?             ?      
1 1 1 28 46 23 o -0.9712000     1.501000      ?             ?      
1 1 1 28 46 24 o 1.275000       1.544000      ?             ?      
1 1 1 28 46 25 o 0.7172000E-02  2.104000      ?             ?      
1 1 1 28 46 26 o -0.6447000     2.168000      ?             ?      
1 1 1 28 46 27 o -0.4809000     1.569000      ?             ?      
1 1 1 28 46 28 o 1.669000       1.544000      ?             ?      
1 1 1 28 46 29 o 0.5916000      1.403000      ?             ?      
1 1 1 28 46 30 o -2.269000      1.612000      ?             ?      
1 1 1 28 46 31 o -0.2327000     1.570000      ?             ?      
1 1 1 28 46 32 o 0.1545000      1.337000      ?             ?      
1 1 1 28 46 33 o 0.1130000      1.333000      ?             ?      
1 1 1 28 46 34 o 0.9262000      1.329000      ?             ?      
1 1 1 28 46 35 o 1.494000       1.304000      ?             ?      
1 1 1 28 46 36 o -0.2743000     1.299000      ?             ?      
1 1 1 28 46 37 o -0.1352000     1.335000      ?             ?      
1 1 1 28 46 38 o -0.5704000     1.364000      ?             ?      
1 1 1 28 46 39 o -0.2291000     1.339000      ?             ?      
1 1 1 28 46 40 o -0.4842000     1.698000      ?             ?      
1 1 1 28 46 41 o -0.5314000     1.625000      ?             ?      
1 1 1 28 47 0  o -0.2978000     1.336000      ?             ?      
1 1 1 28 47 1  o -1.415000      1.308000      ?             ?      
1 1 1 28 47 2  o -0.3308000     1.402000      ?             ?      
1 1 1 28 47 3  o -0.6827000E-01 1.171000      ?             ?      
1 1 1 28 47 4  o 1.302000       0.8724000     ?             ?      
1 1 1 28 47 5  o 2.982000       0.8765000     ?             ?      
1 1 1 28 47 6  o -0.7017000     1.102000      ?             ?      
1 1 1 28 47 7  o 0.4997000      1.096000      ?             ?      
1 1 1 28 47 8  o 0.2494000E-01  1.185000      ?             ?      
1 1 1 28 47 9  o -0.4085000E-05 1.175000      ?             ?      
1 1 1 28 47 10 o -0.7848000     1.349000      ?             ?      
1 1 1 28 47 11 o 1.627000       1.327000      ?             ?      
1 1 1 28 47 12 o -0.6840000     1.100000      ?             ?      
1 1 1 28 47 13 o 0.8084000      1.220000      ?             ?      
1 1 1 28 47 14 f -2.231000      1.230000      ?             ?      
1 1 1 28 47 15 o -0.7892000     1.254000      ?             ?      
1 1 1 28 47 16 o 1.373000       1.226000      ?             ?      
1 1 1 28 47 17 o 2.553000       1.432000      ?             ?      
1 1 1 28 47 18 o 0.3371000      1.465000      ?             ?      
1 1 1 28 47 19 o 2.185000       1.484000      ?             ?      
1 1 1 28 47 20 o -1.750000      1.456000      ?             ?      
1 1 1 28 47 21 o -0.5560000     1.465000      ?             ?      
1 1 1 28 47 22 o 0.1783000      1.496000      ?             ?      
1 1 1 28 47 23 o 0.2428000      1.506000      ?             ?      
1 1 1 28 47 24 o -0.5189000     1.580000      ?             ?      
1 1 1 28 47 25 o 1.628000       2.105000      ?             ?      
1 1 1 28 47 26 o 3.971000       2.212000      ?             ?      
1 1 1 28 47 27 o -1.209000      1.522000      ?             ?      
1 1 1 28 47 28 o -0.5566000     1.604000      ?             ?      
1 1 1 28 47 29 o 0.1161000      1.652000      ?             ?      
1 1 1 28 47 30 o 0.5621000E-01  2.248000      ?             ?      
1 1 1 28 47 31 o -1.074000      1.637000      ?             ?      
1 1 1 28 47 32 o 0.1103000      1.400000      ?             ?      
1 1 1 28 47 33 o 0.9401000E-01  1.387000      ?             ?      
1 1 1 28 47 34 o 1.591000       1.368000      ?             ?      
1 1 1 28 47 35 o 0.2929000      1.331000      ?             ?      
1 1 1 28 47 36 o -0.8693000     1.345000      ?             ?      
1 1 1 28 47 37 o 1.716000       1.343000      ?             ?      
1 1 1 28 47 38 o -0.7156000     2.482000      ?             ?      
1 1 1 28 47 39 o -1.823000      1.719000      ?             ?      
1 1 1 28 48 0  o 2.979000       1.732000      ?             ?      
1 1 1 28 48 1  o 0.5342000      1.095000      ?             ?      
1 1 1 28 48 2  o -0.7577000     1.039000      ?             ?      
1 1 1 28 48 3  o -0.7384000     0.9290000     ?             ?      
1 1 1 28 48 4  o -0.5311000     1.214000      ?             ?      
1 1 1 28 48 5  o 1.649000       1.034000      ?             ?      
1 1 1 28 48 6  o -0.1490000     1.343000      ?             ?      
1 1 1 28 48 7  o -1.093000      1.084000      ?             ?      
1 1 1 28 48 8  o -0.5146000     1.145000      ?             ?      
1 1 1 28 48 9  o -1.687000      1.275000      ?             ?      
1 1 1 28 48 10 o 0.4976000      1.289000      ?             ?      
1 1 1 28 48 11 o -1.206000      1.274000      ?             ?      
1 1 1 28 48 12 o 0.9451000      1.094000      ?             ?      
1 1 1 28 48 13 o -0.2703000E-01 1.198000      ?             ?      
1 1 1 28 48 14 o 1.082000       1.220000      ?             ?      
1 1 1 28 48 15 o 0.5747000      1.238000      ?             ?      
1 1 1 28 48 16 o -0.9932000     1.214000      ?             ?      
1 1 1 28 48 17 o -0.1365000     1.417000      ?             ?      
1 1 1 28 48 18 o 0.8638000      1.442000      ?             ?      
1 1 1 28 48 19 o -0.2827000     1.441000      ?             ?      
1 1 1 28 48 20 o 0.4810000      1.444000      ?             ?      
1 1 1 28 48 21 o -0.5536000E-01 1.485000      ?             ?      
1 1 1 28 48 22 o -0.5461000     1.484000      ?             ?      
1 1 1 28 48 23 o -2.664000      1.528000      ?             ?      
1 1 1 28 48 24 o -1.491000      2.126000      ?             ?      
1 1 1 28 48 25 o 0.4742000      2.162000      ?             ?      
1 1 1 28 48 26 o 1.504000       1.566000      ?             ?      
1 1 1 28 48 27 o 0.2897000      1.600000      ?             ?      
1 1 1 28 48 28 o 2.013000       1.681000      ?             ?      
1 1 1 28 48 29 o 1.171000       2.260000      ?             ?      
1 1 1 28 48 30 o -1.324000      2.252000      ?             ?      
1 1 1 28 48 31 o -0.7451000     1.658000      ?             ?      
1 1 1 28 48 32 o -0.1030000     1.388000      ?             ?      
1 1 1 28 48 33 o 2.953000       1.424000      ?             ?      
1 1 1 28 48 34 o -3.562000      2.492000      ?             ?      
1 1 1 28 48 35 o 2.772000       1.392000      ?             ?      
1 1 1 28 48 36 o 1.716000       1.406000      ?             ?      
1 1 1 28 48 37 o 0.4620000E-01  1.700000      ?             ?      
1 1 1 28 49 0  o 0.5911000      1.692000      ?             ?      
1 1 1 28 49 1  o -0.7906000     1.016000      ?             ?      
1 1 1 28 49 2  o -1.664000      1.010000      ?             ?      
1 1 1 28 49 3  o -0.1539000     0.8925000     ?             ?      
1 1 1 28 49 4  o -0.2881000     0.8802000     ?             ?      
1 1 1 28 49 5  o -0.1383000     0.8752000     ?             ?      
1 1 1 28 49 6  o 1.669000       1.225000      ?             ?      
1 1 1 28 49 7  o -0.7874000     1.057000      ?             ?      
1 1 1 28 49 8  o -0.7691000     1.098000      ?             ?      
1 1 1 28 49 9  o 0.5827000      1.251000      ?             ?      
1 1 1 28 49 10 o -0.1907000     1.251000      ?             ?      
1 1 1 28 49 11 o 2.207000       1.102000      ?             ?      
1 1 1 28 49 12 o 0.4125000      1.083000      ?             ?      
1 1 1 28 49 13 o -0.7889000     1.196000      ?             ?      
1 1 1 28 49 14 o 0.9387000      1.216000      ?             ?      
1 1 1 28 49 15 o -1.272000      1.235000      ?             ?      
1 1 1 28 49 16 o 0.3571000E-02  1.230000      ?             ?      
1 1 1 28 49 17 o -0.1643000     1.422000      ?             ?      
1 1 1 28 49 18 o 1.887000       1.431000      ?             ?      
1 1 1 28 49 19 o -0.8259000     1.432000      ?             ?      
1 1 1 28 49 20 o -0.5124000     1.455000      ?             ?      
1 1 1 28 49 21 o 2.304000       1.517000      ?             ?      
1 1 1 28 49 22 o 1.040000       1.500000      ?             ?      
1 1 1 28 49 23 o -0.3679000     2.136000      ?             ?      
1 1 1 28 49 24 o -1.367000      2.154000      ?             ?      
1 1 1 28 49 25 o -0.3429000     1.574000      ?             ?      
1 1 1 28 49 26 o -0.4536000     1.603000      ?             ?      
1 1 1 28 49 27 o -1.374000      1.635000      ?             ?      
1 1 1 28 49 28 o 1.379000       1.697000      ?             ?      
1 1 1 28 49 29 o -1.626000      2.287000      ?             ?      
1 1 1 28 49 30 o -1.832000      1.168000      ?             ?      
1 1 1 28 49 31 o 0.9308000      1.681000      ?             ?      
1 1 1 28 49 32 o 1.995000       1.674000      ?             ?      
1 1 1 28 49 33 o 2.337000       1.725000      ?             ?      
1 1 1 28 49 34 o -0.8553000     1.386000      ?             ?      
1 1 1 28 49 35 o -1.950000      1.710000      ?             ?      
1 1 1 28 49 36 o -1.963000      1.730000      ?             ?      
1 1 1 28 50 0  o 0.8525000E-01  1.674000      ?             ?      
1 1 1 28 50 1  o -0.5425000     1.139000      ?             ?      
1 1 1 28 50 2  o -0.6115000     1.326000      ?             ?      
1 1 1 28 50 3  o -1.548000      1.006000      ?             ?      
1 1 1 28 50 4  o -1.509000      1.011000      ?             ?      
1 1 1 28 50 5  o -0.3462000     0.8372000     ?             ?      
1 1 1 28 50 6  o -0.7180000     1.062000      ?             ?      
1 1 1 28 50 7  o 3.264000       1.091000      ?             ?      
1 1 1 28 50 8  o 0.7638000      1.240000      ?             ?      
1 1 1 28 50 9  o -0.7940000E-01 1.221000      ?             ?      
1 1 1 28 50 10 o -0.2258000     1.238000      ?             ?      
1 1 1 28 50 11 o -0.8351000     1.110000      ?             ?      
1 1 1 28 50 12 o -0.4828000     1.111000      ?             ?      
1 1 1 28 50 13 o -1.614000      1.218000      ?             ?      
1 1 1 28 50 14 o 1.707000       1.216000      ?             ?      
1 1 1 28 50 15 o 2.366000       1.276000      ?             ?      
1 1 1 28 50 16 o 1.453000       1.251000      ?             ?      
1 1 1 28 50 17 o 1.743000       1.461000      ?             ?      
1 1 1 28 50 18 o -0.9177000     1.426000      ?             ?      
1 1 1 28 50 19 o -0.5553000E-01 1.442000      ?             ?      
1 1 1 28 50 20 o -0.7275000     1.468000      ?             ?      
1 1 1 28 50 21 o 1.317000       1.499000      ?             ?      
1 1 1 28 50 22 o 1.631000       1.561000      ?             ?      
1 1 1 28 50 23 o 0.3758000      2.076000      ?             ?      
1 1 1 28 50 24 o -0.7538000     2.144000      ?             ?      
1 1 1 28 50 25 o 1.081000       1.621000      ?             ?      
1 1 1 28 50 26 o -0.8264000     1.617000      ?             ?      
1 1 1 28 50 27 o 1.057000       1.663000      ?             ?      
1 1 1 28 50 28 o 0.5884000      1.289000      ?             ?      
1 1 1 28 50 29 o 3.635000       2.336000      ?             ?      
1 1 1 28 50 30 o -2.261000      1.675000      ?             ?      
1 1 1 28 50 31 o -1.399000      1.661000      ?             ?      
1 1 1 28 50 32 o -0.6117000     1.688000      ?             ?      
1 1 1 28 50 33 o -0.3152000     1.663000      ?             ?      
1 1 1 28 50 34 o 1.909000       1.712000      ?             ?      
1 1 1 28 51 0  o -0.9626000     1.421000      ?             ?      
1 1 1 28 51 1  o 0.1843000      1.102000      ?             ?      
1 1 1 28 51 2  o -0.5399000     0.8823000     ?             ?      
1 1 1 28 51 3  o 0.7124000      0.8952000     ?             ?      
1 1 1 28 51 4  o 0.5845000      0.9076000     ?             ?      
1 1 1 28 51 5  o 0.1834000      0.8613000     ?             ?      
1 1 1 28 51 6  o -0.3733000     1.070000      ?             ?      
1 1 1 28 51 7  o -0.2033000     1.078000      ?             ?      
1 1 1 28 51 8  o -1.006000      1.249000      ?             ?      
1 1 1 28 51 9  o -1.877000      1.209000      ?             ?      
1 1 1 28 51 10 o -0.5517000E-01 1.243000      ?             ?      
1 1 1 28 51 11 o -0.3458000     1.251000      ?             ?      
1 1 1 28 51 12 o 0.5004000      1.244000      ?             ?      
1 1 1 28 51 13 o 0.6519000      1.456000      ?             ?      
1 1 1 28 51 14 o -1.135000      1.231000      ?             ?      
1 1 1 28 51 15 o -2.286000      1.260000      ?             ?      
1 1 1 28 51 16 o -0.8874000     1.251000      ?             ?      
1 1 1 28 51 17 o -0.4791000     1.486000      ?             ?      
1 1 1 28 51 18 o 0.6177000      1.460000      ?             ?      
1 1 1 28 51 19 f 2.059000       1.512000      ?             ?      
1 1 1 28 51 20 o 1.603000       1.514000      ?             ?      
1 1 1 28 51 21 o -0.1895000     1.498000      ?             ?      
1 1 1 28 51 22 o 2.024000       2.085000      ?             ?      
1 1 1 28 51 23 o 0.6885000      2.130000      ?             ?      
1 1 1 28 51 24 o -1.804000      1.609000      ?             ?      
1 1 1 28 51 25 o 2.583000       1.617000      ?             ?      
1 1 1 28 51 26 o -0.1255000     1.688000      ?             ?      
1 1 1 28 51 27 o -0.4520000     1.717000      ?             ?      
1 1 1 28 51 28 o 5.609000       2.353000      ?             ?      
1 1 1 28 51 29 o -1.296000      1.237000      ?             ?      
1 1 1 28 51 30 o -2.192000      1.652000      ?             ?      
1 1 1 28 51 31 o 0.2629000      1.712000      ?             ?      
1 1 1 28 51 32 o 0.8325000      1.702000      ?             ?      
1 1 1 28 52 0  o -2.118000      1.415000      ?             ?      
1 1 1 28 52 1  o 1.556000       0.9462000     ?             ?      
1 1 1 28 52 2  o -0.7023000     1.003000      ?             ?      
1 1 1 28 52 3  o 0.4366000      0.9997000     ?             ?      
1 1 1 28 52 4  o 1.160000       1.015000      ?             ?      
1 1 1 28 52 5  o -0.6265000     0.8536000     ?             ?      
1 1 1 28 52 6  o 0.4745000      1.244000      ?             ?      
1 1 1 28 52 7  o -0.9446000E-01 1.401000      ?             ?      
1 1 1 28 52 8  o -0.1413000     1.582000      ?             ?      
1 1 1 28 52 9  o -0.2823000     1.241000      ?             ?      
1 1 1 28 52 10 o 1.481000       1.091000      ?             ?      
1 1 1 28 52 11 o -0.2472000     1.095000      ?             ?      
1 1 1 28 52 12 o -0.2290000     1.096000      ?             ?      
1 1 1 28 52 13 o -0.3943000     1.196000      ?             ?      
1 1 1 28 52 14 o 0.1548000      1.233000      ?             ?      
1 1 1 28 52 15 o 0.7756000      1.538000      ?             ?      
1 1 1 28 52 16 o -0.1954000     1.494000      ?             ?      
1 1 1 28 52 17 o -2.280000      1.972000      ?             ?      
1 1 1 28 52 18 o -0.7626000     1.469000      ?             ?      
1 1 1 28 52 19 o 0.2320000      1.538000      ?             ?      
1 1 1 28 52 20 o 3.234000       1.553000      ?             ?      
1 1 1 28 52 21 o -0.7896000     2.157000      ?             ?      
1 1 1 28 52 22 o -0.4741000     1.166000      ?             ?      
1 1 1 28 52 23 o -0.4764000     3.040000      ?             ?      
1 1 1 28 52 24 o -0.4810000     1.686000      ?             ?      
1 1 1 28 52 25 o 0.8465000      1.655000      ?             ?      
1 1 1 28 52 26 o 0.9647000      1.677000      ?             ?      
1 1 1 28 52 27 o 0.6079000      2.328000      ?             ?      
1 1 1 28 52 28 o -2.090000      2.288000      ?             ?      
1 1 1 28 52 29 o -1.643000      1.671000      ?             ?      
1 1 1 28 52 30 o -1.167000      3.100000      ?             ?      
1 1 1 28 53 0  o -0.7847000     1.415000      ?             ?      
1 1 1 28 53 1  o -1.655000      0.9235000     ?             ?      
1 1 1 28 53 2  o -1.352000      0.9951000     ?             ?      
1 1 1 28 53 3  o 1.020000       1.011000      ?             ?      
1 1 1 28 53 4  o -0.2523000     0.8911000     ?             ?      
1 1 1 28 53 5  o -0.3509000     0.9006000     ?             ?      
1 1 1 28 53 6  o -0.6575000     1.135000      ?             ?      
1 1 1 28 53 7  o -0.5480000     1.317000      ?             ?      
1 1 1 28 53 8  o -1.224000      1.228000      ?             ?      
1 1 1 28 53 9  o 0.8027000      1.257000      ?             ?      
1 1 1 28 53 10 o 0.2427000      1.425000      ?             ?      
1 1 1 28 53 11 o -0.3748000     1.418000      ?             ?      
1 1 1 28 53 12 o -1.275000      1.271000      ?             ?      
1 1 1 28 53 13 o -1.913000      1.213000      ?             ?      
1 1 1 28 53 14 o 1.190000       1.222000      ?             ?      
1 1 1 28 53 15 o 0.6801000      1.269000      ?             ?      
1 1 1 28 53 16 o -0.7586000     1.288000      ?             ?      
1 1 1 28 53 17 o 1.977000       1.485000      ?             ?      
1 1 1 28 53 18 o -1.928000      1.502000      ?             ?      
1 1 1 28 53 19 o 0.1444000      1.119000      ?             ?      
1 1 1 28 53 20 o -1.240000      2.032000      ?             ?      
1 1 1 28 53 21 < 0.000000       -1.000000     ?             ?      
1 1 1 28 53 22 o -2.242000      1.293000      ?             ?      
1 1 1 28 53 23 o -2.073000      1.732000      ?             ?      
1 1 1 28 53 24 o -0.5426000     1.682000      ?             ?      
1 1 1 28 53 25 o 0.9179000E-01  1.682000      ?             ?      
1 1 1 28 53 26 f 0.9813000E-02  3.151000      ?             ?      
1 1 1 28 53 27 o 0.7536000      1.240000      ?             ?      
1 1 1 28 54 0  o 0.7406000      1.163000      ?             ?      
1 1 1 28 54 1  o -0.3055000     0.9242000     ?             ?      
1 1 1 28 54 2  o 0.7090000      0.9721000     ?             ?      
1 1 1 28 54 3  o 1.079000       1.032000      ?             ?      
1 1 1 28 54 4  o -0.2665000     0.8964000     ?             ?      
1 1 1 28 54 5  o 0.4569000      0.9404000     ?             ?      
1 1 1 28 54 6  o -1.154000      1.094000      ?             ?      
1 1 1 28 54 7  o 0.9626000      1.284000      ?             ?      
1 1 1 28 54 8  o -0.8058000     1.245000      ?             ?      
1 1 1 28 54 9  o -0.2371000     1.100000      ?             ?      
1 1 1 28 54 10 o -0.4682000     1.106000      ?             ?      
1 1 1 28 54 11 o 0.1686000      1.120000      ?             ?      
1 1 1 28 54 12 o -1.903000      1.113000      ?             ?      
1 1 1 28 54 13 o 0.2319000      1.229000      ?             ?      
1 1 1 28 54 14 o 2.093000       1.484000      ?             ?      
1 1 1 28 54 15 o 0.9969000      1.538000      ?             ?      
1 1 1 28 54 16 o 0.8661000      1.302000      ?             ?      
1 1 1 28 54 17 o -0.6567000     1.500000      ?             ?      
1 1 1 28 54 18 o -2.498000      1.513000      ?             ?      
1 1 1 28 54 19 o 0.5501000      1.502000      ?             ?      
1 1 1 28 54 20 o 1.691000       2.139000      ?             ?      
1 1 1 28 54 21 o 1.579000       2.223000      ?             ?      
1 1 1 28 54 22 o 0.7152000      2.360000      ?             ?      
1 1 1 28 54 23 o -1.166000      4.430000      ?             ?      
1 1 1 28 54 24 o -1.917000      1.213000      ?             ?      
1 1 1 28 54 25 o 4.833000       4.458000      ?             ?      
1 1 1 28 55 0  o 0.6596000      1.155000      ?             ?      
1 1 1 28 55 1  o -0.1256000     0.9341000     ?             ?      
1 1 1 28 55 2  o -0.2267000     0.9607000     ?             ?      
1 1 1 28 55 3  o 0.9839000      1.031000      ?             ?      
1 1 1 28 55 4  o -1.110000      1.072000      ?             ?      
1 1 1 28 55 5  o -0.1183000     1.120000      ?             ?      
1 1 1 28 55 6  o 0.7794000      1.127000      ?             ?      
1 1 1 28 55 7  o -1.608000      1.272000      ?             ?      
1 1 1 28 55 8  o 0.6263000      1.251000      ?             ?      
1 1 1 28 55 9  o 0.4136000      1.100000      ?             ?      
1 1 1 28 55 10 o 1.779000       1.102000      ?             ?      
1 1 1 28 55 11 o 0.7099000      1.110000      ?             ?      
1 1 1 28 55 12 o 0.5415000      1.024000      ?             ?      
1 1 1 28 55 13 o -0.7264000     1.150000      ?             ?      
1 1 1 28 55 14 o -0.6453000     1.271000      ?             ?      
1 1 1 28 55 15 o 0.2603000      1.272000      ?             ?      
1 1 1 28 55 16 o 0.2672000E-01  1.296000      ?             ?      
1 1 1 28 55 17 o 1.418000       1.541000      ?             ?      
1 1 1 28 55 18 o -1.094000      2.079000      ?             ?      
1 1 1 28 55 19 o -2.561000      4.061000      ?             ?      
1 1 1 28 55 20 o -1.878000      2.126000      ?             ?      
1 1 1 28 55 21 o -2.157000      2.266000      ?             ?      
1 1 1 28 55 22 o -0.9455000     2.454000      ?             ?      
1 1 1 28 56 0  o 0.2922000      1.159000      ?             ?      
1 1 1 28 56 1  o -0.2346000     0.8201000     ?             ?      
1 1 1 28 56 2  o 1.165000       0.9604000     ?             ?      
1 1 1 28 56 3  o -2.940000      1.558000      ?             ?      
1 1 1 28 56 4  o -0.3492000     1.077000      ?             ?      
1 1 1 28 56 5  o -0.4460000     1.155000      ?             ?      
1 1 1 28 56 6  o 0.1836000      1.267000      ?             ?      
1 1 1 28 56 7  o -0.5569000     1.245000      ?             ?      
1 1 1 28 56 8  o -0.1391000     1.251000      ?             ?      
1 1 1 28 56 9  o -0.3065000E-01 1.106000      ?             ?      
1 1 1 28 56 10 o -3.383000      1.974000      ?             ?      
1 1 1 28 56 11 o 1.533000       1.132000      ?             ?      
1 1 1 28 56 12 o 0.4244000E-01  1.139000      ?             ?      
1 1 1 28 56 13 o 0.2770000      1.144000      ?             ?      
1 1 1 28 56 14 o -0.5092000     1.255000      ?             ?      
1 1 1 28 56 15 o -1.344000      1.257000      ?             ?      
1 1 1 28 56 16 o 0.1448000      1.537000      ?             ?      
1 1 1 28 56 17 o -0.9459000     1.540000      ?             ?      
1 1 1 28 56 18 o 0.9651000E-01  1.598000      ?             ?      
1 1 1 28 57 0  o -0.1128000     1.159000      ?             ?      
1 1 1 28 57 1  o 1.339000       0.8264000     ?             ?      
1 1 1 28 57 2  o -1.455000      1.527000      ?             ?      
1 1 1 28 57 3  o 0.3258000      0.9798000     ?             ?      
1 1 1 28 57 4  o 0.1007000      1.090000      ?             ?      
1 1 1 28 57 5  o 0.9510000      1.298000      ?             ?      
1 1 1 28 57 6  o -0.2306000     1.281000      ?             ?      
1 1 1 28 57 7  o 0.1303000      1.245000      ?             ?      
1 1 1 28 57 8  o -0.5609000     2.329000      ?             ?      
1 1 1 28 57 9  o -0.1773000E-01 1.218000      ?             ?      
1 1 1 28 57 10 o -0.6332000     1.216000      ?             ?      
1 1 1 28 57 11 o -2.465000      1.454000      ?             ?      
1 1 1 28 57 12 o 0.1131000      1.460000      ?             ?      
1 1 1 28 57 13 o 0.3517000      1.462000      ?             ?      
1 1 1 28 58 0  o 1.650000       1.241000      ?             ?      
1 1 1 28 58 1  o -1.062000      0.8750000     ?             ?      
1 1 1 28 58 2  o 0.6630000      0.8761000     ?             ?      
1 1 1 28 58 3  o 0.7474000      1.055000      ?             ?      
1 1 1 28 58 4  o -0.1781000     1.585000      ?             ?      
1 1 1 28 58 5  o 0.7545000E-01  1.598000      ?             ?      
1 1 1 28 58 6  o 2.312000       2.018000      ?             ?      
1 1 1 29 0  1  o 0.4482000      1.531000      48.07222      90.0   
1 1 1 29 0  2  o 1.034000       1.513000      128.7366      180.0  
1 1 1 29 0  3  o -1.025000      1.559000      11.54688      -90.0  
1 1 1 29 0  4  o 0.7772000E-01  1.592000      98.83448      0.0    
1 1 1 29 0  5  o -1.173000      1.553000      230.1545      90.0   
1 1 1 29 0  6  o 1.495000       1.534000      96.76836      0.0    
1 1 1 29 0  7  o -1.089000      1.552000      192.4099      -90.0  
1 1 1 29 0  8  o 0.6661000      1.494000      120.0447      0.0    
1 1 1 29 0  9  o -1.939000      1.553000      34.05169      -90.0  
1 1 1 29 0  10 o -0.7581000     1.555000      92.00286      180.0  
1 1 1 29 0  11 o -3.188000      1.524000      125.5687      -90.0  
1 1 1 29 0  12 o -2.570000      1.486000      112.1809      180.0  
1 1 1 29 0  13 o 0.3454000      1.498000      25.20452      90.0   
1 1 1 29 0  14 o 1.293000       1.528000      68.93340      180.0  
1 1 1 29 0  15 o -0.8936000     1.535000      24.38454      90.0   
1 1 1 29 0  16 o 0.1790000E-01  1.491000      67.62113      0.0    
1 1 1 29 0  17 o -1.221000      1.473000      143.0322      -90.0  
1 1 1 29 0  18 o -1.753000      1.467000      80.52316      -180.0 
1 1 1 29 0  19 o -1.805000      1.472000      64.56251      -90.0  
1 1 1 29 0  20 o -1.869000      1.435000      12.83420      -0.0   
1 1 1 29 0  21 o -0.6050000     1.400000      212.4001      90.0   
1 1 1 29 0  22 o -1.127000      1.441000      47.90878      -180.0 
1 1 1 29 0  23 o -2.176000      1.446000      70.13908      90.0   
1 1 1 29 0  24 o -1.374000      1.487000      82.27860      -0.0   
1 1 1 29 0  25 o 1.303000       1.659000      101.0709      90.0   
1 1 1 29 0  26 o 2.688000       1.833000      155.8733      180.0  
1 1 1 29 0  27 o -0.4557000E-01 2.834000      224.0051      -90.0  
1 1 1 29 0  28 o -2.185000      2.221000      45.21260      0.0    
1 1 1 29 0  29 o -1.947000      3.144000      186.8753      90.0   
1 1 1 29 0  30 o -0.6899000     1.903000      144.7660      0.0    
1 1 1 29 0  31 o -0.1646000     1.922000      90.10435      90.0   
1 1 1 29 0  32 o -2.279000      1.618000      70.52861      -180.0 
1 1 1 29 0  33 o -2.529000      1.644000      18.27104      90.0   
1 1 1 29 0  34 f 0.7136000E-01  1.658000      40.73698      -180.0 
1 1 1 29 0  35 o 2.245000       1.714000      114.8769      90.0   
1 1 1 29 0  36 o -2.133000      1.707000      55.32619      180.0  
1 1 1 29 0  37 o -1.885000      1.755000      55.05993      90.0   
1 1 1 29 0  38 o 0.8423000      2.072000      125.7383      -0.0   
1 1 1 29 0  39 o 0.9337000      2.103000      36.93135      90.0   
1 1 1 29 0  40 o -0.9173000     1.828000      62.45072      180.0  
1 1 1 29 0  41 o -0.7594000     2.064000      30.46230      -90.0  
1 1 1 29 0  42 o 1.068000       1.865000      30.21942      0.0    
1 1 1 29 0  43 o -1.142000      1.883000      8.444861      90.0   
1 1 1 29 0  44 o -1.863000      1.905000      37.44996      180.0  
1 1 1 29 0  45 o -0.4248000     1.919000      60.64784      90.0   
1 1 1 29 0  46 o 1.626000       1.881000      80.59827      -0.0   
1 1 1 29 0  47 o 0.6041000      1.877000      19.21414      -90.0  
1 1 1 29 0  48 o 0.8019000      2.289000      ?             ?      
1 1 1 29 0  49 o 3.836000       2.724000      ?             ?      
1 1 1 29 0  50 o 2.148000       2.483000      ?             ?      
1 1 1 29 0  51 o -1.421000      3.716000      ?             ?      
1 1 1 29 0  52 o -0.2881000     2.047000      ?             ?      
1 1 1 29 0  53 o 0.9768000      1.745000      ?             ?      
1 1 1 29 0  54 o -0.6361000     1.718000      ?             ?      
1 1 1 29 0  55 o -0.9299000     1.723000      ?             ?      
1 1 1 29 0  56 o -1.421000      1.746000      ?             ?      
1 1 1 29 0  57 o -0.8291000     1.706000      ?             ?      
1 1 1 29 0  58 o -1.097000      1.705000      ?             ?      
1 1 1 29 0  59 o -2.159000      1.682000      ?             ?      
1 1 1 29 0  60 o -1.536000      1.722000      ?             ?      
1 1 1 29 0  61 o 0.5339000      1.747000      ?             ?      
1 1 1 29 0  62 o 0.5876000      1.770000      ?             ?      
1 1 1 29 0  63 o -1.683000      1.775000      ?             ?      
1 1 1 29 0  64 o -0.5322000     1.798000      ?             ?      
1 1 1 29 0  65 o 1.337000       2.224000      ?             ?      
1 1 1 29 0  66 o -1.882000      3.934000      ?             ?      
1 1 1 29 1  0  o 2.838000       1.580000      183.0689      -90.0  
1 1 1 29 1  1  o 0.2894000      1.092000      51.50457      86.2   
1 1 1 29 1  2  o -0.6792000     1.084000      137.9809      126.8  
1 1 1 29 1  3  o -1.890000      1.112000      31.91344      155.8  
1 1 1 29 1  4  o -2.603000      1.116000      70.38859      -119.9 
1 1 1 29 1  5  o -2.002000      1.103000      177.2046      47.5   
1 1 1 29 1  6  o 1.040000       1.096000      264.5799      61.9   
1 1 1 29 1  7  o -0.3771000     1.106000      87.50898      168.6  
1 1 1 29 1  8  o -0.2188000     1.086000      165.9544      165.3  
1 1 1 29 1  9  o -1.029000      1.101000      125.4072      -133.1 
1 1 1 29 1  10 o -0.6944000     1.090000      34.77832      -159.6 
1 1 1 29 1  11 o -0.3299000     1.079000      276.3649      -69.8  
1 1 1 29 1  12 o 1.321000       1.072000      121.6405      -141.2 
1 1 1 29 1  13 o 0.8458000E-01  1.067000      66.79955      106.0  
1 1 1 29 1  14 o -1.439000      1.067000      81.27235      152.6  
1 1 1 29 1  15 o 0.9501000      1.084000      73.33356      84.0   
1 1 1 29 1  16 o 0.5689000      1.060000      12.95606      25.7   
1 1 1 29 1  17 o -0.2817000E-01 1.052000      92.50203      -144.7 
1 1 1 29 1  18 o -0.9651000     1.046000      30.61363      -164.5 
1 1 1 29 1  19 o 0.8188000      1.037000      42.88867      -137.1 
1 1 1 29 1  20 o 0.8398000      1.016000      244.3355      -160.1 
1 1 1 29 1  21 o -0.2702000     1.017000      17.34063      -60.0  
1 1 1 29 1  22 o -0.1966000     1.014000      108.8104      -151.7 
1 1 1 29 1  23 o -0.8787000     1.024000      38.96651      -40.0  
1 1 1 29 1  24 o -1.361000      1.041000      60.30828      166.0  
1 1 1 29 1  25 o 0.3830000      1.141000      129.9388      -78.4  
1 1 1 29 1  26 o 2.657000       1.292000      211.1911      53.3   
1 1 1 29 1  27 o -0.5767000     1.795000      92.82970      126.3  
1 1 1 29 1  28 o 3.132000       1.865000      28.77905      155.2  
1 1 1 29 1  29 o 1.193000       1.951000      97.06830      113.3  
1 1 1 29 1  30 o -1.166000      1.510000      13.57033      -13.8  
1 1 1 29 1  31 o -0.8790000     1.253000      99.86791      -97.2  
1 1 1 29 1  32 o -0.3706000     1.174000      39.52547      145.4  
1 1 1 29 1  33 o -0.3102000     1.169000      29.65197      8.8    
1 1 1 29 1  34 o -1.383000      1.179000      56.37547      -158.5 
1 1 1 29 1  35 o 1.630000       1.320000      86.56509      -91.5  
1 1 1 29 1  36 o -0.2190000     1.331000      81.96129      -148.9 
1 1 1 29 1  37 o -1.273000      1.233000      71.66757      32.9   
1 1 1 29 1  38 o 0.7534000      1.373000      122.5842      145.9  
1 1 1 29 1  39 o -0.5176000     1.384000      49.58092      -77.5  
1 1 1 29 1  40 o -0.8725000     1.412000      26.80025      178.1  
1 1 1 29 1  41 o -0.9852000     1.393000      60.94325      37.8   
1 1 1 29 1  42 o -0.5072000     1.311000      154.5468      127.8  
1 1 1 29 1  43 o 2.459000       1.405000      149.5011      10.8   
1 1 1 29 1  44 o 2.195000       1.428000      58.65342      60.3   
1 1 1 29 1  45 o -0.4195000     1.343000      13.14778      126.2  
1 1 1 29 1  46 o 0.6567000      1.427000      126.0003      87.6   
1 1 1 29 1  47 o 1.527000       1.406000      46.15390      107.9  
1 1 1 29 1  48 o 1.194000       1.468000      ?             ?      
1 1 1 29 1  49 o 0.6502000      1.746000      ?             ?      
1 1 1 29 1  50 o 1.271000       2.078000      ?             ?      
1 1 1 29 1  51 o -3.456000      1.926000      ?             ?      
1 1 1 29 1  52 o -3.436000      1.674000      ?             ?      
1 1 1 29 1  53 o -1.126000      1.421000      ?             ?      
1 1 1 29 1  54 o -1.852000      1.360000      ?             ?      
1 1 1 29 1  55 o 0.5111000      1.230000      ?             ?      
1 1 1 29 1  56 o -0.2726000     1.217000      ?             ?      
1 1 1 29 1  57 o -0.6626000     1.206000      ?             ?      
1 1 1 29 1  58 o -0.5873000     1.202000      ?             ?      
1 1 1 29 1  59 o -0.9604000     1.213000      ?             ?      
1 1 1 29 1  60 o 0.2114000      1.225000      ?             ?      
1 1 1 29 1  61 o 0.1006000      1.245000      ?             ?      
1 1 1 29 1  62 o 1.277000       1.269000      ?             ?      
1 1 1 29 1  63 o 1.506000       1.808000      ?             ?      
1 1 1 29 1  64 o -0.4155000     1.804000      ?             ?      
1 1 1 29 1  65 o -2.297000      1.572000      ?             ?      
1 1 1 29 1  66 o -2.208000      2.186000      ?             ?      
1 1 1 29 2  0  o -0.8308000     1.542000      131.6141      -90.0  
1 1 1 29 2  1  o -0.5115000     1.092000      235.0145      158.5  
1 1 1 29 2  2  o -0.8313000     1.087000      135.7117      -59.9  
1 1 1 29 2  3  o 1.311000       1.119000      217.8044      172.4  
1 1 1 29 2  4  o 0.4102000      1.126000      118.7041      -137.3 
1 1 1 29 2  5  o 0.4848000      1.123000      202.5378      -130.3 
1 1 1 29 2  6  o 1.736000       1.126000      109.0600      -137.5 
1 1 1 29 2  7  o 0.6249000      1.110000      43.92107      -33.6  
1 1 1 29 2  8  o -1.129000      1.104000      181.0052      -52.8  
1 1 1 29 2  9  o 0.6068000      1.086000      177.3610      -55.1  
1 1 1 29 2  10 o 0.7717000      1.098000      227.8486      19.6   
1 1 1 29 2  11 o -1.856000      1.078000      111.8063      -33.8  
1 1 1 29 2  12 o -1.260000      1.067000      108.4982      -126.6 
1 1 1 29 2  13 o 1.068000       1.070000      272.4055      -64.7  
1 1 1 29 2  14 o -0.3431000     1.053000      109.0815      149.3  
1 1 1 29 2  15 o -0.2703000     1.064000      14.32892      -3.8   
1 1 1 29 2  16 o 0.1430000      1.079000      110.8823      148.4  
1 1 1 29 2  17 o 2.057000       1.088000      108.3795      64.4   
1 1 1 29 2  18 o 2.109000       1.069000      277.8493      -66.8  
1 1 1 29 2  19 o -1.508000      1.048000      23.90147      -10.4  
1 1 1 29 2  20 o 1.158000       1.037000      168.6004      -2.4   
1 1 1 29 2  21 o -1.773000      1.014000      161.1503      -29.6  
1 1 1 29 2  22 o -0.5692000     1.011000      79.81284      110.3  
1 1 1 29 2  23 o 1.101000       1.017000      87.07661      -84.4  
1 1 1 29 2  24 o 0.2852000      1.061000      184.2528      47.3   
1 1 1 29 2  25 o 1.259000       1.124000      113.2537      -168.2 
1 1 1 29 2  26 o 0.5119000      1.622000      115.5925      -132.0 
1 1 1 29 2  27 o 5.619000       1.697000      267.5210      -10.1  
1 1 1 29 2  28 o -0.9970000E-01 2.167000      36.56461      91.9   
1 1 1 29 2  29 o 2.579000       1.851000      216.7648      25.3   
1 1 1 29 2  30 o 1.648000       1.911000      92.24005      -61.4  
1 1 1 29 2  31 o 0.6793000      1.271000      81.74249      131.6  
1 1 1 29 2  32 o -0.9072000     1.249000      68.02428      -49.0  
1 1 1 29 2  33 o -0.7663000     1.279000      112.5470      -26.4  
1 1 1 29 2  34 o 0.8703000      1.320000      178.3206      39.3   
1 1 1 29 2  35 o 0.5730000      1.211000      159.3025      110.6  
1 1 1 29 2  36 o -0.7359000     1.293000      51.28199      -93.7  
1 1 1 29 2  37 o -0.9199000     1.253000      12.60857      143.7  
1 1 1 29 2  38 o -0.6057000     1.271000      23.05223      -59.2  
1 1 1 29 2  39 o 1.173000       1.297000      125.5768      145.7  
1 1 1 29 2  40 o 0.1223000      1.306000      198.7757      22.8   
1 1 1 29 2  41 o -1.800000      1.286000      68.84167      -0.7   
1 1 1 29 2  42 o -0.9597000     1.294000      85.67718      130.4  
1 1 1 29 2  43 o -0.8528000     1.402000      69.27664      134.9  
1 1 1 29 2  44 o 0.4623000      1.458000      68.96131      114.1  
1 1 1 29 2  45 o 0.7894000      1.362000      6.762620      127.5  
1 1 1 29 2  46 o 0.6059000E-01  1.688000      83.11343      -51.0  
1 1 1 29 2  47 o -0.2357000     1.494000      48.19319      59.9   
1 1 1 29 2  48 o -0.6370000     1.444000      ?             ?      
1 1 1 29 2  49 o 2.006000       2.154000      ?             ?      
1 1 1 29 2  50 o -0.4452000     2.023000      ?             ?      
1 1 1 29 2  51 o -0.8681000     1.829000      ?             ?      
1 1 1 29 2  52 o -1.056000      1.346000      ?             ?      
1 1 1 29 2  53 o -0.9054000     1.421000      ?             ?      
1 1 1 29 2  54 o -0.3528000     1.307000      ?             ?      
1 1 1 29 2  55 o -0.4594000     1.232000      ?             ?      
1 1 1 29 2  56 o 0.2926000      1.347000      ?             ?      
1 1 1 29 2  57 o -1.521000      1.204000      ?             ?      
1 1 1 29 2  58 o 0.9291000      1.213000      ?             ?      
1 1 1 29 2  59 o -0.8781000     1.217000      ?             ?      
1 1 1 29 2  60 o 1.619000       1.250000      ?             ?      
1 1 1 29 2  61 o -1.900000      1.257000      ?             ?      
1 1 1 29 2  62 o 0.1182000      1.271000      ?             ?      
1 1 1 29 2  63 o -1.208000      1.272000      ?             ?      
1 1 1 29 2  64 o -0.5883000     1.429000      ?             ?      
1 1 1 29 2  65 o 0.9507000E-01  1.449000      ?             ?      
1 1 1 29 2  66 < 0.000000       -1.000000     ?             ?      
1 1 1 29 3  0  o 3.324000       1.521000      193.6666      -90.0  
1 1 1 29 3  1  o -1.767000      1.102000      286.6718      -1.8   
1 1 1 29 3  2  o -0.8298000     1.117000      73.22742      -136.0 
1 1 1 29 3  3  o 2.618000       1.129000      327.9896      -17.7  
1 1 1 29 3  4  o 2.702000       1.127000      468.3920      -66.6  
1 1 1 29 3  5  o 6.975000       1.184000      631.0664      45.8   
1 1 1 29 3  6  o -1.455000      1.161000      203.5039      -7.9   
1 1 1 29 3  7  o 1.475000       1.119000      145.6783      -179.2 
1 1 1 29 3  8  o -0.3110000     1.099000      252.0017      162.3  
1 1 1 29 3  9  o 0.3693000      1.077000      131.5201      -77.4  
1 1 1 29 3  10 o 5.937000       1.126000      423.0084      -55.8  
1 1 1 29 3  11 o 3.029000       1.100000      268.4803      -4.5   
1 1 1 29 3  12 o 1.447000       1.076000      289.5041      44.8   
1 1 1 29 3  13 o 0.9556000      1.066000      224.4223      11.0   
1 1 1 29 3  14 o -0.9098000     1.069000      135.4854      133.6  
1 1 1 29 3  15 o 0.7750000      1.060000      164.6677      -87.7  
1 1 1 29 3  16 o 1.393000       1.093000      150.5849      -138.9 
1 1 1 29 3  17 o -1.249000      1.080000      149.8831      100.5  
1 1 1 29 3  18 o 1.109000       1.071000      261.2114      126.6  
1 1 1 29 3  19 o -0.2267000E-01 1.037000      166.9521      -87.9  
1 1 1 29 3  20 o 2.288000       1.045000      191.3509      143.6  
1 1 1 29 3  21 o -0.4050000     1.020000      166.5414      53.1   
1 1 1 29 3  22 o -1.024000      1.018000      59.43027      -19.9  
1 1 1 29 3  23 o 0.6057000      1.028000      179.4610      -166.2 
1 1 1 29 3  24 o -0.3503000     1.096000      164.2741      -15.7  
1 1 1 29 3  25 o -0.2545000     1.187000      78.21164      103.8  
1 1 1 29 3  26 o 3.448000       1.645000      133.0628      108.6  
1 1 1 29 3  27 o -2.277000      1.692000      143.0730      145.6  
1 1 1 29 3  28 o 2.056000       1.659000      299.7307      -32.1  
1 1 1 29 3  29 o -0.2773000E-01 1.861000      35.26023      -9.1   
1 1 1 29 3  30 o -0.5813000     1.443000      213.9847      87.9   
1 1 1 29 3  31 o 0.9536000      1.348000      131.8810      -69.7  
1 1 1 29 3  32 o -0.5958000     1.269000      116.3483      -162.7 
1 1 1 29 3  33 o 0.2589000      1.285000      28.12509      101.6  
1 1 1 29 3  34 o 1.312000       1.269000      132.2555      157.7  
1 1 1 29 3  35 o 0.3324000      1.224000      133.6031      -117.5 
1 1 1 29 3  36 o 0.8092000      1.244000      161.9633      -103.1 
1 1 1 29 3  37 o 2.834000       1.264000      206.6676      -31.6  
1 1 1 29 3  38 o -0.5749000     1.280000      291.5171      -137.8 
1 1 1 29 3  39 o 0.5388000      1.292000      130.9953      135.6  
1 1 1 29 3  40 o 0.1828000      1.303000      180.6663      -171.6 
1 1 1 29 3  41 o -0.8733000     1.392000      75.40102      -67.9  
1 1 1 29 3  42 o 2.200000       1.411000      262.5456      -149.7 
1 1 1 29 3  43 o 1.796000       1.328000      169.3035      40.2   
1 1 1 29 3  44 o 2.999000       1.488000      231.8992      -0.3   
1 1 1 29 3  45 o 0.5933000      1.430000      188.3474      -114.9 
1 1 1 29 3  46 o -0.1379000     1.418000      126.7194      111.7  
1 1 1 29 3  47 o -0.8390000     1.465000      116.2086      -8.7   
1 1 1 29 3  48 o -0.3922000     1.521000      ?             ?      
1 1 1 29 3  49 o -0.3581000E-01 1.529000      ?             ?      
1 1 1 29 3  50 o -4.118000      2.089000      ?             ?      
1 1 1 29 3  51 o -1.489000      1.490000      ?             ?      
1 1 1 29 3  52 o -1.881000      1.443000      ?             ?      
1 1 1 29 3  53 o 0.1682000      1.397000      ?             ?      
1 1 1 29 3  54 o 0.5165000      1.312000      ?             ?      
1 1 1 29 3  55 o -0.1660000     1.282000      ?             ?      
1 1 1 29 3  56 o 0.7783000E-01  1.271000      ?             ?      
1 1 1 29 3  57 o 0.5932000      1.211000      ?             ?      
1 1 1 29 3  58 o 1.780000       1.356000      ?             ?      
1 1 1 29 3  59 o 1.467000       1.357000      ?             ?      
1 1 1 29 3  60 o -1.190000      1.219000      ?             ?      
1 1 1 29 3  61 o 1.449000       1.264000      ?             ?      
1 1 1 29 3  62 o -0.8486000     1.269000      ?             ?      
1 1 1 29 3  63 o -1.054000      1.269000      ?             ?      
1 1 1 29 3  64 o -2.499000      1.423000      ?             ?      
1 1 1 29 3  65 o 0.3176000      1.529000      ?             ?      
1 1 1 29 4  0  o 0.9789000      1.525000      390.2921      -90.0  
1 1 1 29 4  1  o 14.40000       1.186000      687.6173      91.1   
1 1 1 29 4  2  o 4.137000       1.144000      228.5093      153.1  
1 1 1 29 4  3  o 5.358000       1.123000      398.7196      -175.4 
1 1 1 29 4  4  o -1.272000      1.084000      105.8350      -0.0   
1 1 1 29 4  5  o 8.346000       1.168000      300.3330      -71.0  
1 1 1 29 4  6  o 1.039000       1.128000      81.77495      -109.9 
1 1 1 29 4  7  o 12.36000       1.223000      575.0328      -47.0  
1 1 1 29 4  8  o 5.404000       1.115000      226.7230      -59.4  
1 1 1 29 4  9  o 1.808000       1.159000      171.3055      49.0   
1 1 1 29 4  10 o 1.636000       1.098000      173.5224      64.9   
1 1 1 29 4  11 o 3.038000       1.104000      429.7346      -24.4  
1 1 1 29 4  12 o -0.3038000     1.076000      134.4757      105.8  
1 1 1 29 4  13 o -0.6941000     1.077000      109.9523      5.8    
1 1 1 29 4  14 o 2.786000       1.084000      418.5022      126.8  
1 1 1 29 4  15 o 1.268000       1.074000      305.7581      88.6   
1 1 1 29 4  16 o 3.532000       1.097000      427.2108      -80.5  
1 1 1 29 4  17 o 2.682000       1.088000      222.2676      -83.7  
1 1 1 29 4  18 o -1.532000      1.036000      139.6921      -157.2 
1 1 1 29 4  19 o 1.465000       1.026000      201.5942      -6.1   
1 1 1 29 4  20 f 8.504000       1.077000      426.7974      -17.2  
1 1 1 29 4  21 o 0.6947000      1.030000      273.5206      147.6  
1 1 1 29 4  22 o 2.349000       1.030000      270.7633      -141.2 
1 1 1 29 4  23 o 0.5926000      1.051000      164.4723      -6.7   
1 1 1 29 4  24 o -0.6363000     1.094000      67.15970      -45.7  
1 1 1 29 4  25 o 0.6595000      1.202000      89.73446      162.4  
1 1 1 29 4  26 o 2.829000       1.421000      255.4173      1.5    
1 1 1 29 4  27 o 0.5370000      1.722000      262.2183      56.4   
1 1 1 29 4  28 o 2.983000       1.744000      179.3499      -157.4 
1 1 1 29 4  29 o -0.7599000     2.096000      201.7512      87.3   
1 1 1 29 4  30 o -0.4740000     1.415000      136.9497      62.9   
1 1 1 29 4  31 o 3.506000       1.275000      227.6064      79.6   
1 1 1 29 4  32 o -1.670000      1.349000      137.6547      -80.3  
1 1 1 29 4  33 o -1.672000      1.284000      68.86116      -16.0  
1 1 1 29 4  34 o 0.8310000      1.206000      164.6205      47.2   
1 1 1 29 4  35 o 1.862000       1.223000      79.98440      95.2   
1 1 1 29 4  36 o 4.211000       1.267000      175.8613      -105.0 
1 1 1 29 4  37 o 1.637000       1.249000      128.5059      -124.9 
1 1 1 29 4  38 o -0.7364000     1.259000      155.9098      44.8   
1 1 1 29 4  39 o -0.9391000     1.384000      95.98412      41.2   
1 1 1 29 4  40 o -0.9043000E-02 1.388000      121.5252      70.6   
1 1 1 29 4  41 o -2.492000      1.398000      51.35426      -175.3 
1 1 1 29 4  42 o 1.488000       1.449000      195.2049      163.9  
1 1 1 29 4  43 o 4.737000       1.355000      265.6814      21.6   
1 1 1 29 4  44 o 2.743000       1.358000      312.9017      -16.5  
1 1 1 29 4  45 o 0.8951000      1.326000      141.6519      92.7   
1 1 1 29 4  46 o 0.2931000      1.335000      219.1580      11.7   
1 1 1 29 4  47 o 0.5583000      1.505000      292.4943      87.9   
1 1 1 29 4  48 o -2.137000      1.785000      ?             ?      
1 1 1 29 4  49 o 1.373000       1.500000      ?             ?      
1 1 1 29 4  50 o 2.072000       1.683000      ?             ?      
1 1 1 29 4  51 o 1.023000       1.652000      ?             ?      
1 1 1 29 4  52 o -2.768000      1.530000      ?             ?      
1 1 1 29 4  53 o 1.596000       1.322000      ?             ?      
1 1 1 29 4  54 o 1.378000       1.302000      ?             ?      
1 1 1 29 4  55 o 2.545000       1.230000      ?             ?      
1 1 1 29 4  56 o 0.9349000      1.200000      ?             ?      
1 1 1 29 4  57 o 1.262000       1.204000      ?             ?      
1 1 1 29 4  58 o -0.4147000E-01 1.265000      ?             ?      
1 1 1 29 4  59 o 1.946000       1.282000      ?             ?      
1 1 1 29 4  60 o 2.819000       1.354000      ?             ?      
1 1 1 29 4  61 o 1.261000       1.363000      ?             ?      
1 1 1 29 4  62 o -1.287000      1.255000      ?             ?      
1 1 1 29 4  63 o 0.7821000      1.281000      ?             ?      
1 1 1 29 4  64 o 0.4268000      1.420000      ?             ?      
1 1 1 29 4  65 o 2.365000       1.498000      ?             ?      
1 1 1 29 5  0  o 13.76000       1.662000      437.5429      -90.0  
1 1 1 29 5  1  o 6.819000       1.128000      568.0482      -12.6  
1 1 1 29 5  2  o 3.013000       1.113000      252.0074      -71.9  
1 1 1 29 5  3  o 0.4893000      1.084000      192.5374      98.6   
1 1 1 29 5  4  o 4.174000       1.106000      447.5622      -16.2  
1 1 1 29 5  5  o 21.70000       1.271000      1004.048      45.0   
1 1 1 29 5  6  o 9.375000       1.205000      437.2788      51.8   
1 1 1 29 5  7  o 9.481000       1.163000      571.7531      -148.4 
1 1 1 29 5  8  o 4.200000       1.129000      67.26361      108.6  
1 1 1 29 5  9  o 20.27000       1.252000      586.5419      -48.4  
1 1 1 29 5  10 o 13.42000       1.172000      480.9979      -37.2  
1 1 1 29 5  11 o 5.425000       1.119000      263.8358      -102.6 
1 1 1 29 5  12 o 3.848000       1.104000      283.1150      -22.3  
1 1 1 29 5  13 o 1.957000       1.086000      298.1079      -129.1 
1 1 1 29 5  14 o 3.328000       1.088000      235.5730      62.2   
1 1 1 29 5  15 o 6.927000       1.101000      350.3665      55.0   
1 1 1 29 5  16 o 1.283000       1.070000      229.7399      -137.0 
1 1 1 29 5  17 o 3.543000       1.094000      392.2961      55.0   
1 1 1 29 5  18 o -2.798000      1.037000      171.4154      -162.9 
1 1 1 29 5  19 o 1.920000       1.036000      209.0759      132.4  
1 1 1 29 5  20 o 1.280000       1.033000      223.1765      79.9   
1 1 1 29 5  21 o 2.585000       1.031000      129.3668      55.1   
1 1 1 29 5  22 o 0.8048000      1.024000      101.2365      81.3   
1 1 1 29 5  23 o 1.884000       1.073000      267.0253      -85.6  
1 1 1 29 5  24 o 1.257000       1.212000      236.9495      99.8   
1 1 1 29 5  25 o 1.874000       1.844000      307.2834      151.7  
1 1 1 29 5  26 o 1.857000       1.967000      98.90510      -175.7 
1 1 1 29 5  27 o 2.379000       1.559000      374.3112      -24.6  
1 1 1 29 5  28 o -1.090000      1.507000      55.52534      -98.1  
1 1 1 29 5  29 o 3.152000       1.508000      116.5757      111.2  
1 1 1 29 5  30 o -0.3152000     1.392000      41.80187      -93.2  
1 1 1 29 5  31 o 0.9584000      1.416000      362.3761      15.1   
1 1 1 29 5  32 o 3.716000       1.385000      256.7713      179.5  
1 1 1 29 5  33 o -0.2619000     1.290000      241.6004      -83.7  
1 1 1 29 5  34 o 4.597000       1.340000      274.5179      -121.3 
1 1 1 29 5  35 o 2.983000       1.232000      176.1702      -116.6 
1 1 1 29 5  36 o 3.585000       1.263000      238.7077      -93.0  
1 1 1 29 5  37 o 3.191000       1.343000      320.8624      -87.5  
1 1 1 29 5  38 o -0.9600000     1.257000      239.4186      176.2  
1 1 1 29 5  39 o 2.765000       1.382000      111.2691      53.2   
1 1 1 29 5  40 o 2.274000       1.406000      288.6202      -80.1  
1 1 1 29 5  41 o 1.398000       1.293000      188.2010      -140.2 
1 1 1 29 5  42 o 2.781000       1.308000      220.0879      136.7  
1 1 1 29 5  43 o 3.369000       1.343000      319.7921      26.8   
1 1 1 29 5  44 o 0.6720000      1.322000      163.1575      -173.7 
1 1 1 29 5  45 o -0.2138000     1.311000      156.5674      -179.0 
1 1 1 29 5  46 o 4.212000       1.346000      210.1434      -159.9 
1 1 1 29 5  47 o 1.110000       1.454000      194.0967      -40.0  
1 1 1 29 5  48 o 1.318000       1.505000      ?             ?      
1 1 1 29 5  49 o 0.9792000      1.516000      ?             ?      
1 1 1 29 5  50 o 0.8256000      1.480000      ?             ?      
1 1 1 29 5  51 o -1.070000      1.468000      ?             ?      
1 1 1 29 5  52 o 2.344000       1.342000      ?             ?      
1 1 1 29 5  53 o -0.1608000     1.491000      ?             ?      
1 1 1 29 5  54 o -0.1843000     1.363000      ?             ?      
1 1 1 29 5  55 o -0.9961000     1.298000      ?             ?      
1 1 1 29 5  56 o 1.003000       1.194000      ?             ?      
1 1 1 29 5  57 o -0.9966000     1.183000      ?             ?      
1 1 1 29 5  58 o 0.4894000      1.186000      ?             ?      
1 1 1 29 5  59 o -1.926000      1.196000      ?             ?      
1 1 1 29 5  60 o 0.4853000      1.278000      ?             ?      
1 1 1 29 5  61 o 0.2881000      1.305000      ?             ?      
1 1 1 29 5  62 o 1.243000       1.372000      ?             ?      
1 1 1 29 5  63 o 1.300000       1.383000      ?             ?      
1 1 1 29 5  64 o 1.302000       1.408000      ?             ?      
1 1 1 29 5  65 o 0.6343000      1.475000      ?             ?      
1 1 1 29 6  0  o 53.27000       3.201000      529.4671      90.0   
1 1 1 29 6  1  o 8.745000       1.145000      415.2149      15.8   
1 1 1 29 6  2  o 5.337000       1.108000      360.9768      -167.0 
1 1 1 29 6  3  o 3.955000       1.105000      235.6603      -71.3  
1 1 1 29 6  4  o 6.229000       1.140000      401.5202      147.4  
1 1 1 29 6  5  o 1.066000       1.109000      99.13518      2.8    
1 1 1 29 6  6  o 6.022000       1.135000      351.2603      -7.5   
1 1 1 29 6  7  o 3.051000       1.123000      166.7532      -118.0 
1 1 1 29 6  8  o 7.478000       1.151000      267.7949      4.2    
1 1 1 29 6  9  o 3.174000       1.130000      263.7780      -57.4  
1 1 1 29 6  10 o 14.69000       1.222000      641.2922      -5.7   
1 1 1 29 6  11 o 8.362000       1.138000      481.5917      17.7   
1 1 1 29 6  12 o 8.320000       1.291000      550.3236      46.7   
1 1 1 29 6  13 o 2.061000       1.085000      352.3212      -107.3 
1 1 1 29 6  14 o 6.562000       1.103000      341.9418      163.9  
1 1 1 29 6  15 o 0.6060000      1.068000      162.3424      29.4   
1 1 1 29 6  16 o 5.528000       1.074000      339.6626      -163.1 
1 1 1 29 6  17 o 5.068000       1.080000      382.4651      -56.4  
1 1 1 29 6  18 o 1.220000       1.056000      20.90152      60.9   
1 1 1 29 6  19 o 0.9679000      1.050000      278.1250      11.3   
1 1 1 29 6  20 o 7.234000       1.104000      335.5172      -170.9 
1 1 1 29 6  21 o 3.484000       1.048000      230.3214      87.4   
1 1 1 29 6  22 o 4.410000       1.091000      443.2244      -67.8  
1 1 1 29 6  23 o 2.134000       1.282000      86.14655      -17.7  
1 1 1 29 6  24 f 4.166000       1.451000      410.1819      -81.6  
1 1 1 29 6  25 o 10.86000       1.510000      460.2833      -27.4  
1 1 1 29 6  26 o 1.414000       1.528000      204.5177      48.2   
1 1 1 29 6  27 o 2.371000       1.521000      218.1603      168.1  
1 1 1 29 6  28 o 3.268000       1.214000      217.4523      79.2   
1 1 1 29 6  29 o 2.675000       1.251000      260.6920      62.4   
1 1 1 29 6  30 o 11.66000       1.328000      404.3671      127.7  
1 1 1 29 6  31 o 2.449000       1.404000      128.2396      -26.9  
1 1 1 29 6  32 o 4.548000       1.290000      250.2979      131.0  
1 1 1 29 6  33 o 0.1162000      1.314000      62.52612      40.9   
1 1 1 29 6  34 o -0.1863000     1.400000      130.9821      146.9  
1 1 1 29 6  35 o 1.296000       1.336000      155.6169      -81.3  
1 1 1 29 6  36 o 17.39000       1.483000      519.6782      -106.4 
1 1 1 29 6  37 o 1.938000       1.365000      173.7674      89.8   
1 1 1 29 6  38 o 1.187000       1.263000      137.6204      50.3   
1 1 1 29 6  39 o 0.4047000      1.268000      188.5404      -15.1  
1 1 1 29 6  40 o 6.105000       1.321000      383.7956      91.4   
1 1 1 29 6  41 o 2.294000       1.279000      142.6068      -86.0  
1 1 1 29 6  42 o 1.935000       1.299000      123.9373      74.7   
1 1 1 29 6  43 o 5.286000       1.346000      328.4631      0.6    
1 1 1 29 6  44 o 3.284000       1.306000      222.9771      -31.6  
1 1 1 29 6  45 o 1.056000       1.284000      193.2430      31.5   
1 1 1 29 6  46 o 0.7118000      1.390000      78.08801      29.5   
1 1 1 29 6  47 o 7.445000       1.585000      ?             ?      
1 1 1 29 6  48 o 2.517000       1.445000      ?             ?      
1 1 1 29 6  49 o 2.288000       1.344000      ?             ?      
1 1 1 29 6  50 o -1.522000      1.246000      ?             ?      
1 1 1 29 6  51 o -1.218000      1.370000      ?             ?      
1 1 1 29 6  52 o -1.183000      1.566000      ?             ?      
1 1 1 29 6  53 o 2.034000       1.757000      ?             ?      
1 1 1 29 6  54 o -0.2215000     1.272000      ?             ?      
1 1 1 29 6  55 o -1.020000      1.365000      ?             ?      
1 1 1 29 6  56 o -0.5941000     1.184000      ?             ?      
1 1 1 29 6  57 o 1.365000       1.190000      ?             ?      
1 1 1 29 6  58 o -0.2436000     1.207000      ?             ?      
1 1 1 29 6  59 o 0.5208000      1.204000      ?             ?      
1 1 1 29 6  60 o -0.5467000     1.210000      ?             ?      
1 1 1 29 6  61 o -0.1437000     1.224000      ?             ?      
1 1 1 29 6  62 o -1.404000      1.307000      ?             ?      
1 1 1 29 6  63 o -1.600000      1.443000      ?             ?      
1 1 1 29 6  64 o -0.2384000E-01 1.446000      ?             ?      
1 1 1 29 6  65 o -0.3789000     1.780000      ?             ?      
1 1 1 29 7  0  o 0.8018000      1.563000      328.4583      90.0   
1 1 1 29 7  1  o 1.864000       1.077000      275.5368      108.5  
1 1 1 29 7  2  o 2.193000       1.064000      22.73901      36.9   
1 1 1 29 7  3  o 21.78000       1.308000      583.7955      -111.8 
1 1 1 29 7  4  o 44.74000       1.533000      955.3186      41.8   
1 1 1 29 7  5  o 18.54000       1.352000      444.0897      133.6  
1 1 1 29 7  6  o 4.541000       1.109000      319.2861      157.4  
1 1 1 29 7  7  o 3.496000       1.141000      370.9322      3.9    
1 1 1 29 7  8  o 16.26000       1.270000      557.9113      60.6   
1 1 1 29 7  9  o 7.750000       1.142000      233.8074      -73.8  
1 1 1 29 7  10 o 3.839000       1.122000      563.1177      9.7    
1 1 1 29 7  11 o 26.95000       1.367000      677.3731      160.2  
1 1 1 29 7  12 o 13.69000       1.160000      494.5218      -17.5  
1 1 1 29 7  13 o 11.28000       1.140000      440.5830      32.6   
1 1 1 29 7  14 o 5.064000       1.091000      508.5864      -6.9   
1 1 1 29 7  15 o 4.415000       1.073000      393.4532      157.0  
1 1 1 29 7  16 o 2.929000       1.051000      95.70930      97.0   
1 1 1 29 7  17 o -0.4651000     1.045000      199.4603      78.6   
1 1 1 29 7  18 o 8.513000       1.110000      432.9089      -32.9  
1 1 1 29 7  19 o 12.45000       1.150000      416.7371      4.7    
1 1 1 29 7  20 o 2.620000       1.203000      209.8797      60.3   
1 1 1 29 7  21 o 2.242000       1.219000      133.8824      30.4   
1 1 1 29 7  22 o 5.092000       1.112000      262.7406      87.5   
1 1 1 29 7  23 o 0.1292000      1.363000      184.7477      108.6  
1 1 1 29 7  24 o 13.72000       1.618000      479.5258      41.3   
1 1 1 29 7  25 o 3.019000       1.457000      180.4940      -109.0 
1 1 1 29 7  26 o 10.06000       1.317000      369.7774      31.9   
1 1 1 29 7  27 o 6.450000       1.212000      302.2835      -63.5  
1 1 1 29 7  28 o 3.171000       1.200000      216.5234      99.7   
1 1 1 29 7  29 o 2.902000       1.250000      102.7436      -129.9 
1 1 1 29 7  30 o 2.823000       1.243000      254.9985      -75.5  
1 1 1 29 7  31 o 7.208000       1.443000      489.4795      -109.2 
1 1 1 29 7  32 o 0.9366000      1.436000      130.7899      51.6   
1 1 1 29 7  33 o 18.33000       1.770000      732.6388      -82.1  
1 1 1 29 7  34 o 8.839000       1.588000      348.7055      -115.7 
1 1 1 29 7  35 f 15.23000       1.688000      521.5202      -58.5  
1 1 1 29 7  36 o 4.671000       1.276000      192.4026      -91.5  
1 1 1 29 7  37 o 7.917000       1.431000      293.5979      -49.3  
1 1 1 29 7  38 o 3.532000       1.263000      285.0613      95.3   
1 1 1 29 7  39 o 9.106000       1.316000      365.3417      -142.2 
1 1 1 29 7  40 o 1.732000       1.277000      148.5804      -132.6 
1 1 1 29 7  41 o 5.584000       1.289000      282.9221      -163.1 
1 1 1 29 7  42 o 2.762000       1.304000      276.6699      21.6   
1 1 1 29 7  43 o 4.326000       1.314000      366.5981      64.9   
1 1 1 29 7  44 o 5.400000       1.316000      312.2865      45.1   
1 1 1 29 7  45 o -2.856000      1.261000      112.2876      23.9   
1 1 1 29 7  46 o -0.2706000     1.397000      220.4244      105.4  
1 1 1 29 7  47 o 1.486000       1.600000      ?             ?      
1 1 1 29 7  48 o 2.365000       1.501000      ?             ?      
1 1 1 29 7  49 o 1.995000       1.352000      ?             ?      
1 1 1 29 7  50 o 1.445000       1.225000      ?             ?      
1 1 1 29 7  51 o 2.708000       1.370000      ?             ?      
1 1 1 29 7  52 o 2.980000       1.455000      ?             ?      
1 1 1 29 7  53 o 2.124000       1.287000      ?             ?      
1 1 1 29 7  54 o -0.3862000     1.280000      ?             ?      
1 1 1 29 7  55 o 1.929000       1.473000      ?             ?      
1 1 1 29 7  56 o -1.500000      1.275000      ?             ?      
1 1 1 29 7  57 o 0.7240000      1.254000      ?             ?      
1 1 1 29 7  58 o 5.495000       1.315000      ?             ?      
1 1 1 29 7  59 o 0.3499000      1.203000      ?             ?      
1 1 1 29 7  60 o 0.3713000      1.206000      ?             ?      
1 1 1 29 7  61 o 2.217000       1.219000      ?             ?      
1 1 1 29 7  62 o 1.576000       1.392000      ?             ?      
1 1 1 29 7  63 o 1.029000       1.386000      ?             ?      
1 1 1 29 7  64 o 1.491000       1.495000      ?             ?      
1 1 1 29 7  65 o 0.2727000      1.457000      ?             ?      
1 1 1 29 8  0  o 5.968000       1.565000      212.7533      90.0   
1 1 1 29 8  1  o 5.560000       1.081000      286.5359      -4.0   
1 1 1 29 8  2  o 0.3712000      1.041000      171.4277      -110.0 
1 1 1 29 8  3  o -0.8664000E-01 1.152000      159.5363      -47.3  
1 1 1 29 8  4  o 4.817000       1.257000      282.8018      -16.8  
1 1 1 29 8  5  o 4.443000       1.146000      383.3232      118.9  
1 1 1 29 8  6  o 7.521000       1.143000      390.8793      -91.4  
1 1 1 29 8  7  o 19.65000       1.249000      811.1521      156.5  
1 1 1 29 8  8  o 38.69000       1.488000      879.3729      3.3    
1 1 1 29 8  9  o 3.797000       1.112000      354.8474      164.9  
1 1 1 29 8  10 o 7.973000       1.195000      459.5695      47.8   
1 1 1 29 8  11 o 11.63000       1.239000      491.4139      146.3  
1 1 1 29 8  12 o 12.50000       1.174000      509.0587      47.3   
1 1 1 29 8  13 o 34.91000       1.748000      697.0929      34.4   
1 1 1 29 8  14 o 4.559000       1.107000      230.1562      -174.0 
1 1 1 29 8  15 o -0.3008000     1.065000      152.6775      111.6  
1 1 1 29 8  16 o 6.049000       1.074000      267.9441      89.8   
1 1 1 29 8  17 o 6.813000       1.072000      223.7821      24.6   
1 1 1 29 8  18 o 4.263000       1.197000      165.7171      72.3   
1 1 1 29 8  19 o 23.22000       1.384000      744.0588      32.1   
1 1 1 29 8  20 o 14.43000       1.332000      489.1362      176.3  
1 1 1 29 8  21 o 2.970000       1.169000      190.6954      46.5   
1 1 1 29 8  22 o 0.5657000      1.270000      136.0667      -165.4 
1 1 1 29 8  23 o 1.258000       1.196000      186.3879      -151.6 
1 1 1 29 8  24 o 2.311000       1.367000      202.6011      -13.9  
1 1 1 29 8  25 o 13.63000       1.372000      619.6739      26.6   
1 1 1 29 8  26 o 2.884000       1.249000      336.5839      178.0  
1 1 1 29 8  27 o 3.752000       1.117000      234.5954      -175.4 
1 1 1 29 8  28 o 7.413000       1.232000      350.2590      30.6   
1 1 1 29 8  29 o 1.793000       1.264000      142.1147      105.1  
1 1 1 29 8  30 o 4.225000       1.254000      417.7996      3.5    
1 1 1 29 8  31 o 3.083000       1.254000      171.1257      32.2   
1 1 1 29 8  32 o 9.316000       1.611000      448.3843      46.6   
1 1 1 29 8  33 o 1.818000       1.344000      171.2792      117.3  
1 1 1 29 8  34 o -0.6111000     1.401000      113.8734      -19.1  
1 1 1 29 8  35 o 7.663000       1.390000      234.6272      -55.0  
1 1 1 29 8  36 o 23.88000       1.452000      616.3756      -14.6  
1 1 1 29 8  37 o 17.55000       1.540000      505.5967      127.0  
1 1 1 29 8  38 o 10.81000       1.334000      375.4274      30.2   
1 1 1 29 8  39 o 2.372000       1.281000      211.5731      8.5    
1 1 1 29 8  40 o 9.468000       1.301000      480.4739      11.3   
1 1 1 29 8  41 o 6.364000       1.285000      376.6734      19.9   
1 1 1 29 8  42 o 14.80000       1.395000      428.1292      103.5  
1 1 1 29 8  43 o 1.655000       1.289000      278.1039      87.5   
1 1 1 29 8  44 o 1.504000       1.269000      157.2886      -165.7 
1 1 1 29 8  45 o 0.8626000E-01  1.381000      178.3885      130.9  
1 1 1 29 8  46 o -0.4488000E-01 1.451000      201.7402      -98.0  
1 1 1 29 8  47 o 4.022000       1.482000      ?             ?      
1 1 1 29 8  48 o -0.7449000E-01 1.402000      ?             ?      
1 1 1 29 8  49 o 1.388000       1.250000      ?             ?      
1 1 1 29 8  50 o 3.868000       1.241000      ?             ?      
1 1 1 29 8  51 o 3.307000       1.378000      ?             ?      
1 1 1 29 8  52 o 2.147000       1.369000      ?             ?      
1 1 1 29 8  53 o 1.462000       1.299000      ?             ?      
1 1 1 29 8  54 o 1.675000       1.430000      ?             ?      
1 1 1 29 8  55 o 5.388000       1.309000      ?             ?      
1 1 1 29 8  56 o 1.384000       1.280000      ?             ?      
1 1 1 29 8  57 o -0.4859000     1.288000      ?             ?      
1 1 1 29 8  58 o -2.377000      1.278000      ?             ?      
1 1 1 29 8  59 o -1.022000      1.254000      ?             ?      
1 1 1 29 8  60 o 0.5095000      1.268000      ?             ?      
1 1 1 29 8  61 o 0.1444000      1.226000      ?             ?      
1 1 1 29 8  62 o 0.7011000      1.392000      ?             ?      
1 1 1 29 8  63 o -0.5444000     1.541000      ?             ?      
1 1 1 29 8  64 o -0.9756000     1.544000      ?             ?      
1 1 1 29 8  65 o -0.6947000     1.819000      ?             ?      
1 1 1 29 9  0  o 0.7527000      1.536000      98.34371      -90.0  
1 1 1 29 9  1  o 5.587000       1.080000      377.7199      149.8  
1 1 1 29 9  2  o 12.16000       1.120000      357.1858      -23.8  
1 1 1 29 9  3  o 32.08000       1.362000      868.9600      39.3   
1 1 1 29 9  4  o 55.21000       1.667000      918.7991      83.5   
1 1 1 29 9  5  o 10.34000       1.140000      246.5001      -172.6 
1 1 1 29 9  6  o 4.407000       1.120000      390.9886      -151.3 
1 1 1 29 9  7  o 54.10000       1.700000      936.4601      85.9   
1 1 1 29 9  8  o 55.67000       2.083000      1022.747      -176.1 
1 1 1 29 9  9  o 2.373000       1.130000      222.9383      109.3  
1 1 1 29 9  10 o 21.47000       1.433000      552.8797      -119.3 
1 1 1 29 9  11 o 94.13000       2.276000      1247.027      134.3  
1 1 1 29 9  12 o 11.34000       1.256000      270.4764      43.7   
1 1 1 29 9  13 o 3.182000       1.108000      220.6332      122.6  
1 1 1 29 9  14 o 20.09000       1.321000      411.0923      149.7  
1 1 1 29 9  15 o 12.00000       1.253000      458.4995      93.3   
1 1 1 29 9  16 o 9.743000       1.215000      368.2773      105.7  
1 1 1 29 9  17 o 3.634000       1.104000      151.5212      -144.2 
1 1 1 29 9  18 o 2.740000       1.208000      178.7691      -13.8  
1 1 1 29 9  19 o 25.79000       1.398000      542.7674      -23.9  
1 1 1 29 9  20 o 5.820000       1.114000      339.2325      171.9  
1 1 1 29 9  21 o 14.17000       1.275000      507.2809      -111.4 
1 1 1 29 9  22 o 5.399000       1.210000      333.0689      26.2   
1 1 1 29 9  23 o 3.425000       1.219000      401.3594      170.9  
1 1 1 29 9  24 o 15.90000       1.593000      479.8827      -38.1  
1 1 1 29 9  25 o 4.601000       1.261000      257.4991      -130.8 
1 1 1 29 9  26 o 9.723000       1.297000      446.4555      24.5   
1 1 1 29 9  27 o 5.302000       1.197000      462.4769      -127.0 
1 1 1 29 9  28 o 22.07000       1.439000      653.2095      72.1   
1 1 1 29 9  29 o 36.06000       1.611000      688.2964      156.4  
1 1 1 29 9  30 o 2.830000       1.274000      240.5078      147.2  
1 1 1 29 9  31 o 0.2808000      1.164000      99.84541      -100.6 
1 1 1 29 9  32 o 6.503000       1.523000      289.0213      -13.8  
1 1 1 29 9  33 o 36.77000       1.712000      866.5723      -98.9  
1 1 1 29 9  34 o 2.838000       1.436000      160.9354      -98.1  
1 1 1 29 9  35 o 19.58000       1.614000      397.5889      -38.4  
1 1 1 29 9  36 o 1.276000       1.377000      55.25961      20.5   
1 1 1 29 9  37 o 6.597000       1.294000      323.5343      79.4   
1 1 1 29 9  38 o 15.40000       1.371000      514.2230      -139.7 
1 1 1 29 9  39 o 18.03000       1.409000      674.5862      114.6  
1 1 1 29 9  40 o -1.458000      1.256000      109.1214      75.6   
1 1 1 29 9  41 o 5.305000       1.293000      150.5444      -131.0 
1 1 1 29 9  42 o 1.941000       1.286000      179.8790      74.3   
1 1 1 29 9  43 o 0.2367000      1.276000      136.0552      29.9   
1 1 1 29 9  44 o 4.744000       1.314000      308.2477      -41.3  
1 1 1 29 9  45 o 2.243000       1.398000      248.1838      -111.4 
1 1 1 29 9  46 o 4.174000       1.573000      211.0120      -27.3  
1 1 1 29 9  47 o 4.499000       1.533000      ?             ?      
1 1 1 29 9  48 o 2.711000       1.350000      ?             ?      
1 1 1 29 9  49 o 3.430000       1.237000      ?             ?      
1 1 1 29 9  50 o 0.5280000      1.223000      ?             ?      
1 1 1 29 9  51 o 8.749000       1.273000      ?             ?      
1 1 1 29 9  52 o 0.5252000      1.371000      ?             ?      
1 1 1 29 9  53 o 2.568000       1.473000      ?             ?      
1 1 1 29 9  54 o 2.981000       1.310000      ?             ?      
1 1 1 29 9  55 o 0.9475000      1.265000      ?             ?      
1 1 1 29 9  56 o 1.508000       1.348000      ?             ?      
1 1 1 29 9  57 o 4.706000       1.320000      ?             ?      
1 1 1 29 9  58 o 1.732000       1.215000      ?             ?      
1 1 1 29 9  59 o 0.1591000E-01  1.291000      ?             ?      
1 1 1 29 9  60 o 1.921000       1.302000      ?             ?      
1 1 1 29 9  61 o -1.934000      1.280000      ?             ?      
1 1 1 29 9  62 o 0.2250000      1.875000      ?             ?      
1 1 1 29 9  63 o 0.6225000      2.197000      ?             ?      
1 1 1 29 9  64 o 3.937000       1.457000      ?             ?      
1 1 1 29 9  65 o -0.7238000     1.307000      ?             ?      
1 1 1 29 10 0  o 16.04000       1.711000      604.6782      -90.0  
1 1 1 29 10 1  o 3.485000       1.066000      109.4239      -26.5  
1 1 1 29 10 2  o 31.80000       1.406000      1013.467      -169.8 
1 1 1 29 10 3  o 6.008000       1.121000      161.8235      49.4   
1 1 1 29 10 4  o 4.942000       1.123000      238.4276      -148.7 
1 1 1 29 10 5  o 24.71000       1.284000      820.3739      -60.4  
1 1 1 29 10 6  o 16.30000       1.201000      620.0528      -146.4 
1 1 1 29 10 7  o 1.009000       1.124000      220.9937      -70.8  
1 1 1 29 10 8  o 11.10000       1.165000      208.2478      -73.1  
1 1 1 29 10 9  o 21.35000       1.310000      503.9528      -119.6 
1 1 1 29 10 10 o 35.85000       1.468000      798.7217      -164.4 
1 1 1 29 10 11 o 5.657000       1.213000      383.5910      -159.1 
1 1 1 29 10 12 o 22.90000       1.311000      555.4166      37.0   
1 1 1 29 10 13 o 28.62000       1.704000      761.6461      74.5   
1 1 1 29 10 14 o 53.18000       1.941000      1061.736      -141.0 
1 1 1 29 10 15 o 5.983000       1.159000      398.7492      -53.1  
1 1 1 29 10 16 o 2.440000       1.194000      20.20688      -93.5  
1 1 1 29 10 17 o 0.3423000      1.139000      43.78473      -0.7   
1 1 1 29 10 18 o 51.25000       1.752000      1027.245      28.9   
1 1 1 29 10 19 o 0.9408000      1.079000      197.6051      -87.3  
1 1 1 29 10 20 o 7.365000       1.138000      341.4769      52.2   
1 1 1 29 10 21 o 2.663000       1.214000      216.8444      16.3   
1 1 1 29 10 22 o 13.51000       1.337000      366.4658      -54.6  
1 1 1 29 10 23 o 2.735000       1.322000      138.3903      -156.9 
1 1 1 29 10 24 o 6.932000       1.409000      336.3410      -34.5  
1 1 1 29 10 25 o 7.632000       1.386000      355.5969      31.5   
1 1 1 29 10 26 o 4.234000       1.144000      418.4420      -139.9 
1 1 1 29 10 27 o 49.93000       1.872000      855.4624      166.0  
1 1 1 29 10 28 o 19.75000       1.418000      594.5604      -112.6 
1 1 1 29 10 29 o 41.97000       1.781000      879.7014      161.2  
1 1 1 29 10 30 o 15.44000       1.404000      689.0067      -35.2  
1 1 1 29 10 31 o 1.315000       1.193000      225.2525      83.7   
1 1 1 29 10 32 o 7.584000       1.277000      495.2119      42.7   
1 1 1 29 10 33 o 4.521000       1.360000      290.8552      -27.5  
1 1 1 29 10 34 o 5.952000       1.369000      246.6858      30.5   
1 1 1 29 10 35 o 10.96000       1.540000      455.6723      81.4   
1 1 1 29 10 36 o 20.50000       1.509000      592.3046      13.7   
1 1 1 29 10 37 o 6.226000       1.295000      348.2047      102.5  
1 1 1 29 10 38 o 1.418000       1.262000      135.2866      -14.6  
1 1 1 29 10 39 o 5.527000       1.294000      427.9950      18.0   
1 1 1 29 10 40 o 0.7681000E-01  1.263000      141.7370      -166.9 
1 1 1 29 10 41 o 16.56000       1.402000      617.0692      12.7   
1 1 1 29 10 42 o 1.727000       1.297000      224.6570      91.5   
1 1 1 29 10 43 o 1.286000       1.280000      113.9253      62.4   
1 1 1 29 10 44 o 3.330000       1.307000      275.6677      91.6   
1 1 1 29 10 45 o 4.331000       1.463000      239.2777      84.9   
1 1 1 29 10 46 o 1.138000       1.462000      144.6165      -83.0  
1 1 1 29 10 47 o 0.8949000      1.385000      ?             ?      
1 1 1 29 10 48 o 6.898000       1.282000      ?             ?      
1 1 1 29 10 49 o 13.09000       1.316000      ?             ?      
1 1 1 29 10 50 o 4.457000       1.234000      ?             ?      
1 1 1 29 10 51 o -2.123000      1.188000      ?             ?      
1 1 1 29 10 52 o 4.034000       1.403000      ?             ?      
1 1 1 29 10 53 o 0.6109000      1.453000      ?             ?      
1 1 1 29 10 54 o 0.7810000      1.284000      ?             ?      
1 1 1 29 10 55 o 0.2650000      1.261000      ?             ?      
1 1 1 29 10 56 o 0.1397000      1.257000      ?             ?      
1 1 1 29 10 57 o 1.671000       1.298000      ?             ?      
1 1 1 29 10 58 o 0.9025000      1.210000      ?             ?      
1 1 1 29 10 59 o -1.449000      1.191000      ?             ?      
1 1 1 29 10 60 o 2.006000       1.241000      ?             ?      
1 1 1 29 10 61 o -0.1999000     1.391000      ?             ?      
1 1 1 29 10 62 o 2.918000       1.610000      ?             ?      
1 1 1 29 10 63 o 0.4935000      1.499000      ?             ?      
1 1 1 29 10 64 o -1.879000      1.431000      ?             ?      
1 1 1 29 10 65 o -0.7436000     2.406000      ?             ?      
1 1 1 29 11 0  o 51.77000       2.160000      1200.796      -90.0  
1 1 1 29 11 1  o -1.003000      1.033000      84.09768      83.9   
1 1 1 29 11 2  o 17.33000       1.187000      586.8875      82.9   
1 1 1 29 11 3  o 46.91000       1.510000      963.2016      17.6   
1 1 1 29 11 4  o 29.62000       1.319000      650.7899      71.3   
1 1 1 29 11 5  o 8.482000       1.159000      397.1805      -17.8  
1 1 1 29 11 6  o 30.14000       1.353000      659.4631      85.0   
1 1 1 29 11 7  o 1.846000       1.101000      225.1483      -146.9 
1 1 1 29 11 8  o 1.152000       1.185000      216.0139      15.5   
1 1 1 29 11 9  o 14.10000       1.356000      289.6292      -80.6  
1 1 1 29 11 10 o 16.33000       1.227000      707.6070      -177.6 
1 1 1 29 11 11 o 33.73000       1.433000      660.8038      109.0  
1 1 1 29 11 12 o 3.510000       1.233000      418.4335      -130.6 
1 1 1 29 11 13 o 2.448000       1.250000      78.89199      78.4   
1 1 1 29 11 14 o 13.70000       1.278000      359.0826      94.0   
1 1 1 29 11 15 o 25.90000       1.306000      560.4205      -10.3  
1 1 1 29 11 16 o 0.3651000      1.074000      396.9330      126.6  
1 1 1 29 11 17 o 4.267000       1.077000      169.5120      134.0  
1 1 1 29 11 18 o 5.184000       1.106000      221.3078      -163.4 
1 1 1 29 11 19 o 4.763000       1.094000      332.1231      31.9   
1 1 1 29 11 20 o 27.92000       1.467000      765.4312      -81.0  
1 1 1 29 11 21 o 9.944000       1.411000      277.7625      64.1   
1 1 1 29 11 22 o 21.73000       1.571000      713.4069      -5.8   
1 1 1 29 11 23 o 4.810000       1.493000      422.1794      -167.0 
1 1 1 29 11 24 o 11.61000       1.440000      537.1909      -69.0  
1 1 1 29 11 25 o 16.10000       1.484000      453.5784      -36.1  
1 1 1 29 11 26 o 3.808000       1.117000      284.3627      -26.3  
1 1 1 29 11 27 o 14.32000       1.264000      386.9635      -128.3 
1 1 1 29 11 28 o 17.83000       1.258000      549.4496      -103.2 
1 1 1 29 11 29 o 7.806000       1.265000      389.2324      98.3   
1 1 1 29 11 30 o 2.740000       1.240000      103.1862      -152.7 
1 1 1 29 11 31 o 0.5181000      1.312000      85.98806      -125.2 
1 1 1 29 11 32 o 25.16000       1.447000      666.1627      -80.4  
1 1 1 29 11 33 o 32.09000       1.900000      672.8990      -155.8 
1 1 1 29 11 34 o 1.437000       1.342000      103.8080      -94.1  
1 1 1 29 11 35 o 2.337000       1.468000      195.4888      -173.5 
1 1 1 29 11 36 o 4.255000       1.361000      418.1432      158.1  
1 1 1 29 11 37 o -0.5081000     1.317000      51.86282      33.3   
1 1 1 29 11 38 o 1.431000       1.255000      211.5346      -143.0 
1 1 1 29 11 39 o 7.823000       1.304000      502.0346      75.0   
1 1 1 29 11 40 o 3.305000       1.286000      316.4337      96.8   
1 1 1 29 11 41 o -0.2529000     1.289000      37.11535      -73.1  
1 1 1 29 11 42 o 2.092000       1.281000      379.2526      129.5  
1 1 1 29 11 43 o 4.517000       1.285000      340.6794      -119.7 
1 1 1 29 11 44 o 4.256000       1.380000      307.1573      -97.2  
1 1 1 29 11 45 o 2.900000       1.446000      289.2466      -99.7  
1 1 1 29 11 46 o 0.8532000      1.476000      ?             ?      
1 1 1 29 11 47 o 6.778000       1.327000      ?             ?      
1 1 1 29 11 48 o 2.429000       1.226000      ?             ?      
1 1 1 29 11 49 o 2.856000       1.229000      ?             ?      
1 1 1 29 11 50 o 4.677000       1.218000      ?             ?      
1 1 1 29 11 51 o 3.426000       1.206000      ?             ?      
1 1 1 29 11 52 o 0.9875000      1.384000      ?             ?      
1 1 1 29 11 53 o 0.2828000      1.364000      ?             ?      
1 1 1 29 11 54 o 3.569000       1.306000      ?             ?      
1 1 1 29 11 55 o -0.5644000     1.282000      ?             ?      
1 1 1 29 11 56 o 0.8574000      1.269000      ?             ?      
1 1 1 29 11 57 o -0.3560000     1.352000      ?             ?      
1 1 1 29 11 58 o 1.813000       1.297000      ?             ?      
1 1 1 29 11 59 o -0.4551000     1.189000      ?             ?      
1 1 1 29 11 60 o -0.3395000     1.217000      ?             ?      
1 1 1 29 11 61 f 1.347000       1.361000      ?             ?      
1 1 1 29 11 62 o 1.045000       1.397000      ?             ?      
1 1 1 29 11 63 o 1.681000       1.425000      ?             ?      
1 1 1 29 11 64 o 1.260000       1.757000      ?             ?      
1 1 1 29 12 0  o 2.120000       1.430000      133.0987      -90.0  
1 1 1 29 12 1  o 2.658000       1.042000      248.8482      12.3   
1 1 1 29 12 2  o 15.13000       1.381000      719.4458      -118.1 
1 1 1 29 12 3  o 2.273000       1.095000      344.9042      91.9   
1 1 1 29 12 4  o 5.464000       1.121000      375.8847      -141.3 
1 1 1 29 12 5  o 2.376000       1.128000      373.3047      -8.6   
1 1 1 29 12 6  o -0.6887000     1.146000      76.74239      -107.3 
1 1 1 29 12 7  o 5.053000       1.143000      263.2758      -173.1 
1 1 1 29 12 8  o 14.22000       1.185000      524.9359      -95.7  
1 1 1 29 12 9  o 5.944000       1.135000      391.1324      -93.3  
1 1 1 29 12 10 o 19.48000       1.354000      665.2118      -139.9 
1 1 1 29 12 11 o 7.137000       1.341000      389.1180      -16.5  
1 1 1 29 12 12 o 5.850000       1.123000      198.1221      137.0  
1 1 1 29 12 13 o 0.1546000      1.112000      55.92781      139.4  
1 1 1 29 12 14 o 5.926000       1.164000      424.8716      178.3  
1 1 1 29 12 15 o 1.847000       1.071000      167.2745      -101.1 
1 1 1 29 12 16 o 3.171000       1.070000      33.33543      -66.3  
1 1 1 29 12 17 o 9.090000       1.128000      472.4792      44.5   
1 1 1 29 12 18 o 27.11000       1.368000      782.9874      -0.3   
1 1 1 29 12 19 o 20.33000       1.286000      529.2771      -73.0  
1 1 1 29 12 20 o 16.14000       1.410000      540.6330      77.2   
1 1 1 29 12 21 o 13.89000       1.396000      355.2664      12.9   
1 1 1 29 12 22 o 0.7811000      1.475000      75.13395      -99.4  
1 1 1 29 12 23 o 10.43000       1.447000      330.1004      65.5   
1 1 1 29 12 24 o 5.468000       1.267000      314.1041      45.1   
1 1 1 29 12 25 o 6.988000       1.135000      261.2700      91.3   
1 1 1 29 12 26 o 7.635000       1.129000      468.4055      174.1  
1 1 1 29 12 27 o 0.8232000      1.092000      162.7561      179.1  
1 1 1 29 12 28 o 1.808000       1.084000      216.4483      18.4   
1 1 1 29 12 29 o 1.406000       1.213000      115.1201      -27.4  
1 1 1 29 12 30 o 8.372000       1.277000      419.7247      -34.8  
1 1 1 29 12 31 o 1.413000       1.318000      117.9306      68.1   
1 1 1 29 12 32 o 6.667000       1.273000      139.9656      -178.8 
1 1 1 29 12 33 o 37.64000       1.750000      689.0489      4.2    
1 1 1 29 12 34 o -0.3652000     1.387000      218.3512      -123.5 
1 1 1 29 12 35 o 36.95000       1.815000      780.8285      37.7   
1 1 1 29 12 36 o 6.904000       1.517000      297.1894      -23.8  
1 1 1 29 12 37 o 5.509000       1.375000      180.0275      26.4   
1 1 1 29 12 38 o 2.269000       1.260000      264.1712      136.6  
1 1 1 29 12 39 o 0.8885000      1.247000      163.3498      161.3  
1 1 1 29 12 40 o 3.546000       1.279000      258.8067      -83.9  
1 1 1 29 12 41 o 9.922000       1.339000      463.7432      -39.8  
1 1 1 29 12 42 o -0.4356000     1.279000      241.7618      -170.7 
1 1 1 29 12 43 o 2.791000       1.268000      204.1739      -6.1   
1 1 1 29 12 44 o 2.136000       1.424000      226.0242      37.7   
1 1 1 29 12 45 o 0.3099000      1.506000      296.3249      -43.0  
1 1 1 29 12 46 o 3.105000       1.373000      ?             ?      
1 1 1 29 12 47 o 8.855000       1.274000      ?             ?      
1 1 1 29 12 48 o 1.491000       1.203000      ?             ?      
1 1 1 29 12 49 o 1.263000       1.185000      ?             ?      
1 1 1 29 12 50 o 4.118000       1.201000      ?             ?      
1 1 1 29 12 51 o 4.307000       1.206000      ?             ?      
1 1 1 29 12 52 o 5.626000       1.220000      ?             ?      
1 1 1 29 12 53 o -1.113000      1.355000      ?             ?      
1 1 1 29 12 54 o 1.762000       1.449000      ?             ?      
1 1 1 29 12 55 o 1.683000       1.283000      ?             ?      
1 1 1 29 12 56 o 1.029000       1.258000      ?             ?      
1 1 1 29 12 57 o -0.2475000     1.266000      ?             ?      
1 1 1 29 12 58 o 2.070000       1.295000      ?             ?      
1 1 1 29 12 59 o -0.1630000     1.221000      ?             ?      
1 1 1 29 12 60 o 2.756000       1.364000      ?             ?      
1 1 1 29 12 61 o 3.371000       1.463000      ?             ?      
1 1 1 29 12 62 o -1.530000      1.480000      ?             ?      
1 1 1 29 12 63 o -1.240000      1.360000      ?             ?      
1 1 1 29 12 64 o 0.4811000      1.281000      ?             ?      
1 1 1 29 13 0  o -1.586000      1.405000      214.3391      90.0   
1 1 1 29 13 1  o 1.563000       1.094000      244.7999      -38.2  
1 1 1 29 13 2  f 9.816000       1.124000      598.0187      45.6   
1 1 1 29 13 3  o 30.46000       1.372000      750.0859      -2.4   
1 1 1 29 13 4  o 2.590000       1.146000      92.02318      -175.2 
1 1 1 29 13 5  o 8.780000       1.182000      420.5079      -4.3   
1 1 1 29 13 6  o 33.98000       1.390000      800.3815      96.4   
1 1 1 29 13 7  o 0.6212000      1.121000      146.1717      -138.7 
1 1 1 29 13 8  o 2.495000       1.208000      391.8728      -36.7  
1 1 1 29 13 9  o 8.221000       1.213000      518.2075      -8.7   
1 1 1 29 13 10 o 6.051000       1.125000      338.4461      117.5  
1 1 1 29 13 11 o 10.35000       1.140000      460.4556      38.3   
1 1 1 29 13 12 o 2.794000       1.080000      172.3145      51.7   
1 1 1 29 13 13 o 1.507000       1.135000      202.2447      1.0    
1 1 1 29 13 14 o 6.849000       1.158000      434.1170      21.4   
1 1 1 29 13 15 o 4.276000       1.196000      223.1372      -61.1  
1 1 1 29 13 16 o 21.52000       1.360000      621.5035      64.1   
1 1 1 29 13 17 o 26.28000       1.438000      758.3697      68.5   
1 1 1 29 13 18 o 0.4147000      1.095000      112.5082      86.2   
1 1 1 29 13 19 o 6.152000       1.344000      410.4234      19.6   
1 1 1 29 13 20 o 4.279000       1.301000      274.0496      -87.8  
1 1 1 29 13 21 o -0.3644000     1.270000      150.2878      165.3  
1 1 1 29 13 22 o 16.24000       1.540000      559.0944      -98.8  
1 1 1 29 13 23 o 16.16000       1.433000      576.0289      162.0  
1 1 1 29 13 24 o 0.3714000      1.171000      127.0294      -76.3  
1 1 1 29 13 25 o 2.533000       1.070000      306.8239      -22.1  
1 1 1 29 13 26 o -0.6546000     1.075000      274.2338      -49.4  
1 1 1 29 13 27 o 8.958000       1.135000      509.0328      -164.7 
1 1 1 29 13 28 o 7.829000       1.137000      356.8962      37.3   
1 1 1 29 13 29 o 21.49000       1.474000      719.8654      120.2  
1 1 1 29 13 30 o 3.865000       1.273000      323.3039      -45.8  
1 1 1 29 13 31 o 25.88000       1.670000      570.3729      -127.1 
1 1 1 29 13 32 o 0.6682000      1.233000      62.53669      -85.6  
1 1 1 29 13 33 o 4.355000       1.279000      368.5780      -154.1 
1 1 1 29 13 34 o 27.13000       1.527000      659.6539      115.0  
1 1 1 29 13 35 o -0.2909000     1.409000      24.66022      -150.9 
1 1 1 29 13 36 o 23.29000       1.666000      708.3251      127.3  
1 1 1 29 13 37 o 9.176000       1.431000      538.2407      -67.8  
1 1 1 29 13 38 o 0.1549000      1.343000      83.02142      77.8   
1 1 1 29 13 39 o -2.019000      1.252000      26.06425      73.7   
1 1 1 29 13 40 o 4.850000       1.296000      424.7622      14.6   
1 1 1 29 13 41 o 1.615000       1.297000      197.8214      -84.5  
1 1 1 29 13 42 o 4.068000       1.284000      148.5777      -55.7  
1 1 1 29 13 43 o -1.616000      1.372000      304.1768      -105.7 
1 1 1 29 13 44 o 1.394000       1.422000      232.4891      52.9   
1 1 1 29 13 45 o 3.422000       1.430000      258.6268      -134.5 
1 1 1 29 13 46 o 5.624000       1.332000      ?             ?      
1 1 1 29 13 47 o 2.156000       1.189000      ?             ?      
1 1 1 29 13 48 o 0.1537000      1.190000      ?             ?      
1 1 1 29 13 49 o 1.118000       1.179000      ?             ?      
1 1 1 29 13 50 o -0.7400000     1.158000      ?             ?      
1 1 1 29 13 51 o -0.2839000     1.173000      ?             ?      
1 1 1 29 13 52 o 1.821000       1.197000      ?             ?      
1 1 1 29 13 53 o 4.445000       1.384000      ?             ?      
1 1 1 29 13 54 o 0.6528000E-01  1.419000      ?             ?      
1 1 1 29 13 55 o 0.1340000      1.281000      ?             ?      
1 1 1 29 13 56 o 0.8187000      1.194000      ?             ?      
1 1 1 29 13 57 o 1.310000       1.287000      ?             ?      
1 1 1 29 13 58 o 0.7294000      1.386000      ?             ?      
1 1 1 29 13 59 o 1.484000       1.311000      ?             ?      
1 1 1 29 13 60 o -0.7698000E-01 1.384000      ?             ?      
1 1 1 29 13 61 o 0.5965000      1.538000      ?             ?      
1 1 1 29 13 62 o -0.5902000     1.407000      ?             ?      
1 1 1 29 13 63 o -0.8491000     1.269000      ?             ?      
1 1 1 29 13 64 o 0.1602000      1.271000      ?             ?      
1 1 1 29 14 0  o 4.431000       1.437000      103.8621      90.0   
1 1 1 29 14 1  o 9.642000       1.157000      511.6180      -51.4  
1 1 1 29 14 2  o 2.068000       1.100000      261.0502      -10.3  
1 1 1 29 14 3  o 8.383000       1.127000      523.1906      95.9   
1 1 1 29 14 4  o 0.6865000      1.086000      85.97735      -147.6 
1 1 1 29 14 5  o 4.127000       1.184000      328.0504      -10.7  
1 1 1 29 14 6  o -0.2240000     1.161000      183.1922      -130.5 
1 1 1 29 14 7  o 18.60000       1.234000      606.7809      158.4  
1 1 1 29 14 8  o 6.368000       1.121000      450.7243      -102.7 
1 1 1 29 14 9  o -0.2110000     1.072000      200.2056      -35.5  
1 1 1 29 14 10 o 0.4094000      1.065000      200.7370      63.8   
1 1 1 29 14 11 o 7.382000       1.111000      184.2461      129.8  
1 1 1 29 14 12 o 3.248000       1.136000      338.1580      -149.6 
1 1 1 29 14 13 o 19.92000       1.301000      613.6872      94.1   
1 1 1 29 14 14 o 11.70000       1.329000      518.8881      134.6  
1 1 1 29 14 15 o 27.25000       1.418000      726.2916      159.8  
1 1 1 29 14 16 o 6.363000       1.190000      363.7614      106.6  
1 1 1 29 14 17 o 4.628000       1.150000      299.5701      22.8   
1 1 1 29 14 18 o 3.934000       1.084000      216.2267      98.0   
1 1 1 29 14 19 o -0.1836000E-01 1.196000      242.0243      -144.5 
1 1 1 29 14 20 o 5.222000       1.374000      327.6194      -25.1  
1 1 1 29 14 21 o 14.31000       1.455000      545.2401      9.2    
1 1 1 29 14 22 o 0.7436000      1.358000      43.91457      -33.2  
1 1 1 29 14 23 o 5.407000       1.287000      343.3196      54.8   
1 1 1 29 14 24 o 10.03000       1.216000      459.7017      111.4  
1 1 1 29 14 25 o 2.825000       1.060000      227.1074      63.2   
1 1 1 29 14 26 o 0.4729000      1.055000      99.36781      133.7  
1 1 1 29 14 27 o 0.7364000E-01  1.085000      201.2753      -12.9  
1 1 1 29 14 28 o 11.69000       1.199000      508.1216      -61.5  
1 1 1 29 14 29 o -1.618000      1.253000      47.20947      -33.4  
1 1 1 29 14 30 o 1.859000       1.270000      164.7707      -128.2 
1 1 1 29 14 31 o 1.944000       1.363000      276.0389      90.0   
1 1 1 29 14 32 o 5.635000       1.397000      337.1429      -23.6  
1 1 1 29 14 33 o 0.4336000      1.222000      134.0805      -32.4  
1 1 1 29 14 34 o 2.503000       1.212000      197.3676      -95.1  
1 1 1 29 14 35 o 0.1099000      1.297000      64.95528      107.3  
1 1 1 29 14 36 o 3.808000       1.436000      213.6519      45.9   
1 1 1 29 14 37 o 4.464000       1.541000      229.4863      165.3  
1 1 1 29 14 38 o 17.72000       1.515000      644.7415      0.5    
1 1 1 29 14 39 o -1.932000      1.350000      75.18908      100.9  
1 1 1 29 14 40 o 4.973000       1.328000      339.4880      -53.1  
1 1 1 29 14 41 o 1.362000       1.307000      204.7353      12.4   
1 1 1 29 14 42 o -0.6195000E-01 1.265000      182.2783      -83.2  
1 1 1 29 14 43 o 3.223000       1.416000      192.9024      34.3   
1 1 1 29 14 44 o 7.446000       1.689000      383.7762      -44.3  
1 1 1 29 14 45 o 0.1960000      1.369000      ?             ?      
1 1 1 29 14 46 o 3.821000       1.237000      ?             ?      
1 1 1 29 14 47 o 1.149000       1.185000      ?             ?      
1 1 1 29 14 48 o 1.691000       1.167000      ?             ?      
1 1 1 29 14 49 o 3.016000       1.176000      ?             ?      
1 1 1 29 14 50 o 1.131000       1.172000      ?             ?      
1 1 1 29 14 51 o 8.106000       1.236000      ?             ?      
1 1 1 29 14 52 o 3.217000       1.196000      ?             ?      
1 1 1 29 14 53 o 1.342000       1.272000      ?             ?      
1 1 1 29 14 54 o 0.9678000      1.338000      ?             ?      
1 1 1 29 14 55 o -0.7986000     1.276000      ?             ?      
1 1 1 29 14 56 o 1.635000       1.297000      ?             ?      
1 1 1 29 14 57 o 1.119000       1.278000      ?             ?      
1 1 1 29 14 58 o -0.7773000     1.312000      ?             ?      
1 1 1 29 14 59 o 3.570000       1.370000      ?             ?      
1 1 1 29 14 60 o 3.271000       1.490000      ?             ?      
1 1 1 29 14 61 o 0.1552000      1.487000      ?             ?      
1 1 1 29 14 62 o 1.174000       1.371000      ?             ?      
1 1 1 29 14 63 o -1.093000      1.262000      ?             ?      
1 1 1 29 14 64 o 0.9098000      1.477000      ?             ?      
1 1 1 29 15 0  o 2.603000       1.584000      357.0953      -90.0  
1 1 1 29 15 1  o -1.023000      1.032000      47.48147      -91.4  
1 1 1 29 15 2  o 15.12000       1.231000      575.1668      90.8   
1 1 1 29 15 3  o 5.884000       1.195000      361.7267      98.5   
1 1 1 29 15 4  o 3.650000       1.139000      263.4533      -46.4  
1 1 1 29 15 5  o 8.165000       1.113000      387.0548      69.6   
1 1 1 29 15 6  o 5.676000       1.116000      234.2224      100.0  
1 1 1 29 15 7  o -0.2317000     1.085000      219.3233      -5.4   
1 1 1 29 15 8  o 2.049000       1.089000      231.5246      -44.7  
1 1 1 29 15 9  o 0.6805000      1.066000      194.1875      15.1   
1 1 1 29 15 10 o 2.517000       1.107000      168.6823      55.7   
1 1 1 29 15 11 o 2.418000       1.165000      279.2739      6.8    
1 1 1 29 15 12 o 5.480000       1.133000      226.8010      -121.5 
1 1 1 29 15 13 o -0.7977000E-01 1.104000      122.1155      -75.6  
1 1 1 29 15 14 o 1.941000       1.269000      51.51523      156.7  
1 1 1 29 15 15 o 0.8680000E-01  1.269000      109.6366      106.7  
1 1 1 29 15 16 o 2.440000       1.122000      217.7357      8.0    
1 1 1 29 15 17 o 1.530000       1.070000      213.0982      94.7   
1 1 1 29 15 18 o 9.766000       1.212000      451.7759      31.6   
1 1 1 29 15 19 o 1.771000       1.195000      174.8384      98.5   
1 1 1 29 15 20 o 0.5838000      1.277000      201.5393      -86.0  
1 1 1 29 15 21 o 1.540000       1.233000      38.86321      141.7  
1 1 1 29 15 22 o 15.87000       1.361000      550.4337      177.8  
1 1 1 29 15 23 o 6.071000       1.181000      363.6880      173.0  
1 1 1 29 15 24 o -0.5106000     1.042000      118.4117      129.7  
1 1 1 29 15 25 o 0.7261000      1.034000      143.5931      -23.5  
1 1 1 29 15 26 o 0.3925000      1.054000      189.0581      12.6   
1 1 1 29 15 27 o 6.682000       1.121000      506.0744      125.9  
1 1 1 29 15 28 o 12.08000       1.188000      573.3515      71.4   
1 1 1 29 15 29 o 4.037000       1.131000      238.0368      72.8   
1 1 1 29 15 30 o 1.217000       1.266000      184.8192      -87.1  
1 1 1 29 15 31 o 0.2712000      1.284000      165.3351      -129.8 
1 1 1 29 15 32 o 14.36000       1.500000      402.0666      100.4  
1 1 1 29 15 33 o 1.771000       1.216000      65.96101      85.6   
1 1 1 29 15 34 o 5.576000       1.268000      226.2487      81.3   
1 1 1 29 15 35 o 0.1953000      1.195000      134.0795      74.2   
1 1 1 29 15 36 o -0.5190000     1.308000      165.2989      46.1   
1 1 1 29 15 37 o 4.984000       1.456000      263.9691      27.6   
1 1 1 29 15 38 o -0.4047000     1.347000      196.6805      -2.8   
1 1 1 29 15 39 o 8.195000       1.407000      447.9571      63.3   
1 1 1 29 15 40 o -0.7044000     1.287000      95.82478      -21.0  
1 1 1 29 15 41 o 1.228000       1.265000      159.1614      -68.1  
1 1 1 29 15 42 o 2.032000       1.353000      262.2429      118.7  
1 1 1 29 15 43 o 0.6677000      1.405000      184.0319      66.7   
1 1 1 29 15 44 o -2.315000      1.392000      40.93906      -172.8 
1 1 1 29 15 45 o 2.498000       1.354000      ?             ?      
1 1 1 29 15 46 o 1.420000       1.192000      ?             ?      
1 1 1 29 15 47 o 1.553000       1.189000      ?             ?      
1 1 1 29 15 48 o 2.671000       1.183000      ?             ?      
1 1 1 29 15 49 o 1.099000       1.163000      ?             ?      
1 1 1 29 15 50 o 1.285000       1.161000      ?             ?      
1 1 1 29 15 51 o 2.585000       1.183000      ?             ?      
1 1 1 29 15 52 o -0.7609000     1.153000      ?             ?      
1 1 1 29 15 53 o 5.075000       1.194000      ?             ?      
1 1 1 29 15 54 o -0.1610000     1.327000      ?             ?      
1 1 1 29 15 55 o 0.6628000E-01  1.433000      ?             ?      
1 1 1 29 15 56 o -0.2501000     1.275000      ?             ?      
1 1 1 29 15 57 o -0.6102000     1.194000      ?             ?      
1 1 1 29 15 58 o -0.5646000     1.300000      ?             ?      
1 1 1 29 15 59 o 1.106000       1.610000      ?             ?      
1 1 1 29 15 60 o 1.393000       1.727000      ?             ?      
1 1 1 29 15 61 o 0.9057000      1.415000      ?             ?      
1 1 1 29 15 62 o 2.176000       1.279000      ?             ?      
1 1 1 29 15 63 o -0.5437000     1.270000      ?             ?      
1 1 1 29 16 0  o 0.5873000      1.594000      59.37170      -90.0  
1 1 1 29 16 1  o 0.9952000      1.138000      72.89847      -136.5 
1 1 1 29 16 2  o 0.2359000      1.052000      198.6673      -84.0  
1 1 1 29 16 3  o 2.776000       1.092000      42.19330      -46.1  
1 1 1 29 16 4  o 2.601000       1.076000      314.1153      160.2  
1 1 1 29 16 5  o 6.523000       1.103000      382.0722      44.0   
1 1 1 29 16 6  o 3.131000       1.094000      168.7204      -152.2 
1 1 1 29 16 7  o 1.131000       1.135000      210.9190      18.2   
1 1 1 29 16 8  o 0.6727000      1.124000      177.6030      47.0   
1 1 1 29 16 9  o -0.4865000     1.074000      180.1098      162.2  
1 1 1 29 16 10 o 1.353000       1.071000      153.4643      94.8   
1 1 1 29 16 11 o -0.4040000     1.126000      88.38873      -160.4 
1 1 1 29 16 12 o 0.6520000      1.125000      59.66823      68.7   
1 1 1 29 16 13 o 12.05000       1.162000      560.7629      135.6  
1 1 1 29 16 14 o 7.881000       1.175000      470.3325      178.0  
1 1 1 29 16 15 o 6.556000       1.156000      300.9561      179.2  
1 1 1 29 16 16 o 1.847000       1.114000      160.9783      22.2   
1 1 1 29 16 17 o 1.050000       1.308000      185.8368      78.1   
1 1 1 29 16 18 o 3.707000       1.210000      375.2282      144.7  
1 1 1 29 16 19 o 5.494000       1.266000      400.0528      147.8  
1 1 1 29 16 20 o 2.579000       1.226000      213.0769      -76.2  
1 1 1 29 16 21 o 1.658000       1.279000      337.4712      40.1   
1 1 1 29 16 22 o -1.321000      1.122000      35.04815      -139.3 
1 1 1 29 16 23 o -0.2981000E-01 1.105000      221.8673      -90.5  
1 1 1 29 16 24 o 3.421000       1.042000      253.7874      49.2   
1 1 1 29 16 25 o -0.8648000E-01 1.042000      224.3724      89.5   
1 1 1 29 16 26 o 1.348000       1.056000      258.1449      -143.7 
1 1 1 29 16 27 o 4.223000       1.085000      218.0279      -121.0 
1 1 1 29 16 28 o 1.421000       1.076000      207.2510      -80.1  
1 1 1 29 16 29 o 3.110000       1.093000      301.7715      103.8  
1 1 1 29 16 30 o 2.050000       1.268000      174.9480      -151.3 
1 1 1 29 16 31 o -0.3467000E-01 1.290000      165.6976      -95.4  
1 1 1 29 16 32 o 5.252000       1.417000      286.7166      16.8   
1 1 1 29 16 33 o 9.760000       1.267000      383.1497      167.9  
1 1 1 29 16 34 o -0.1918000     1.221000      159.2177      20.2   
1 1 1 29 16 35 o 2.917000       1.202000      271.7840      107.6  
1 1 1 29 16 36 o 1.242000       1.308000      243.5973      128.3  
1 1 1 29 16 37 o 1.002000       1.277000      147.3369      23.4   
1 1 1 29 16 38 o 2.159000       1.422000      153.9265      -2.0   
1 1 1 29 16 39 o 4.056000       1.337000      304.7790      156.2  
1 1 1 29 16 40 o 0.9852000      1.323000      136.6744      -120.1 
1 1 1 29 16 41 o 1.424000       1.260000      110.4103      20.2   
1 1 1 29 16 42 o 0.6550000      1.374000      86.55319      -87.8  
1 1 1 29 16 43 o -1.382000      1.567000      138.1921      -148.6 
1 1 1 29 16 44 o 2.464000       1.345000      ?             ?      
1 1 1 29 16 45 o 0.5071000      1.195000      ?             ?      
1 1 1 29 16 46 o -1.050000      1.169000      ?             ?      
1 1 1 29 16 47 o -0.1937000     1.171000      ?             ?      
1 1 1 29 16 48 o -0.2306000E-01 1.138000      ?             ?      
1 1 1 29 16 49 o 2.719000       1.161000      ?             ?      
1 1 1 29 16 50 o 1.292000       1.138000      ?             ?      
1 1 1 29 16 51 o 0.7231000      1.136000      ?             ?      
1 1 1 29 16 52 o 1.600000       1.143000      ?             ?      
1 1 1 29 16 53 o 0.6046000      1.152000      ?             ?      
1 1 1 29 16 54 o 0.8902000      1.359000      ?             ?      
1 1 1 29 16 55 o -0.5325000     1.355000      ?             ?      
1 1 1 29 16 56 o 0.6319000      1.283000      ?             ?      
1 1 1 29 16 57 o 2.412000       1.212000      ?             ?      
1 1 1 29 16 58 o 2.515000       1.322000      ?             ?      
1 1 1 29 16 59 o 0.9115000      1.603000      ?             ?      
1 1 1 29 16 60 o -1.137000      1.722000      ?             ?      
1 1 1 29 16 61 o 3.678000       1.454000      ?             ?      
1 1 1 29 16 62 o 1.509000       1.279000      ?             ?      
1 1 1 29 16 63 o 0.8318000      1.271000      ?             ?      
1 1 1 29 17 0  o 0.1039000      1.422000      28.86666      90.0   
1 1 1 29 17 1  o 6.541000       1.081000      356.7643      54.4   
1 1 1 29 17 2  o 0.9469000      1.131000      214.6643      -173.1 
1 1 1 29 17 3  o 3.792000       1.172000      200.8939      76.0   
1 1 1 29 17 4  o -0.8384000     1.047000      171.7001      6.6    
1 1 1 29 17 5  o 0.6703000      1.098000      130.8169      123.0  
1 1 1 29 17 6  o 5.472000       1.204000      395.1692      101.3  
1 1 1 29 17 7  o 0.4831000      1.115000      82.86170      74.7   
1 1 1 29 17 8  o 1.983000       1.087000      266.8590      -166.3 
1 1 1 29 17 9  o -0.4222000     1.107000      94.09759      160.0  
1 1 1 29 17 10 o -0.4902000     1.074000      129.3962      4.0    
1 1 1 29 17 11 o 0.9578000      1.052000      83.59532      -104.0 
1 1 1 29 17 12 o 5.258000       1.103000      377.8408      -155.8 
1 1 1 29 17 13 o -1.114000      1.064000      198.9576      -85.9  
1 1 1 29 17 14 o 1.840000       1.073000      209.8136      -41.5  
1 1 1 29 17 15 o -0.6237000     1.093000      164.5095      -151.0 
1 1 1 29 17 16 o 1.362000       1.116000      208.8742      -146.0 
1 1 1 29 17 17 o -1.092000      1.206000      114.9184      65.9   
1 1 1 29 17 18 o 1.612000       1.398000      232.4523      -64.1  
1 1 1 29 17 19 o 7.283000       1.331000      395.5178      -121.6 
1 1 1 29 17 20 o 1.532000       1.200000      232.4927      -128.0 
1 1 1 29 17 21 o 2.748000       1.248000      141.0489      39.8   
1 1 1 29 17 22 o 6.408000       1.134000      299.4529      -167.6 
1 1 1 29 17 23 o 1.451000       1.035000      121.6959      -133.9 
1 1 1 29 17 24 o -0.7314000     1.024000      179.6776      45.0   
1 1 1 29 17 25 o 0.7084000E-01  1.029000      37.88642      79.4   
1 1 1 29 17 26 o 0.5662000      1.032000      89.33387      2.1    
1 1 1 29 17 27 o 0.8789000      1.022000      178.7304      101.5  
1 1 1 29 17 28 o 2.398000       1.043000      296.1439      30.3   
1 1 1 29 17 29 o 6.879000       1.101000      400.8355      -7.6   
1 1 1 29 17 30 f 2.552000       1.286000      180.0732      -127.0 
1 1 1 29 17 31 o 0.3822000      1.277000      80.66401      5.2    
1 1 1 29 17 32 o 2.605000       1.397000      254.4412      83.9   
1 1 1 29 17 33 o 1.457000       1.193000      124.4661      121.0  
1 1 1 29 17 34 o 0.4813000      1.187000      157.6402      -52.8  
1 1 1 29 17 35 o 0.3484000      1.165000      86.12164      126.1  
1 1 1 29 17 36 o 0.6276000      1.171000      117.7600      -64.0  
1 1 1 29 17 37 o 0.6545000      1.246000      115.4182      -48.4  
1 1 1 29 17 38 o -0.7724000     1.262000      102.3953      -94.7  
1 1 1 29 17 39 o 1.761000       1.311000      164.6980      49.3   
1 1 1 29 17 40 o -0.8142000     1.288000      105.5877      -43.4  
1 1 1 29 17 41 o 0.3978000      1.290000      108.4003      38.3   
1 1 1 29 17 42 o -0.6875000     1.362000      35.18421      147.2  
1 1 1 29 17 43 o -1.561000      1.366000      215.6543      7.4    
1 1 1 29 17 44 o 1.364000       1.329000      ?             ?      
1 1 1 29 17 45 o 1.307000       1.182000      ?             ?      
1 1 1 29 17 46 o 0.2583000E-01  1.169000      ?             ?      
1 1 1 29 17 47 o 1.554000       1.160000      ?             ?      
1 1 1 29 17 48 o 1.708000       1.130000      ?             ?      
1 1 1 29 17 49 o 1.031000       1.135000      ?             ?      
1 1 1 29 17 50 o 0.7359000      1.141000      ?             ?      
1 1 1 29 17 51 o -0.7681000     1.135000      ?             ?      
1 1 1 29 17 52 o 0.4286000E-01  1.131000      ?             ?      
1 1 1 29 17 53 o 0.7536000      1.136000      ?             ?      
1 1 1 29 17 54 o -1.077000      1.180000      ?             ?      
1 1 1 29 17 55 o -0.4473000     1.354000      ?             ?      
1 1 1 29 17 56 o -0.7455000     1.282000      ?             ?      
1 1 1 29 17 57 o -1.601000      1.305000      ?             ?      
1 1 1 29 17 58 o -0.4969000     1.344000      ?             ?      
1 1 1 29 17 59 o -1.388000      1.572000      ?             ?      
1 1 1 29 17 60 o 2.478000       1.679000      ?             ?      
1 1 1 29 17 61 o 1.143000       1.379000      ?             ?      
1 1 1 29 17 62 o -0.6690000     1.258000      ?             ?      
1 1 1 29 17 63 f 1.949000       1.380000      ?             ?      
1 1 1 29 18 0  o 3.409000       1.443000      393.7357      90.0   
1 1 1 29 18 1  o -0.5935000     1.115000      154.0849      -129.6 
1 1 1 29 18 2  o 1.609000       1.073000      164.9212      -146.8 
1 1 1 29 18 3  o 0.5097000E-01  1.117000      178.0936      148.7  
1 1 1 29 18 4  o 1.876000       1.066000      183.0307      178.5  
1 1 1 29 18 5  o 0.2295000      1.167000      147.2998      -65.7  
1 1 1 29 18 6  o 2.300000       1.253000      53.68569      -144.4 
1 1 1 29 18 7  o 1.040000       1.109000      123.0502      -63.8  
1 1 1 29 18 8  o 0.8628000      1.081000      140.0232      -165.2 
1 1 1 29 18 9  o 1.015000       1.089000      238.5456      -125.9 
1 1 1 29 18 10 o 0.4608000      1.064000      164.8539      -17.4  
1 1 1 29 18 11 o -0.1356000     1.064000      119.9196      -8.9   
1 1 1 29 18 12 o -1.044000      1.041000      102.0605      74.0   
1 1 1 29 18 13 o 1.126000       1.060000      217.4366      -109.7 
1 1 1 29 18 14 o -0.4687000     1.053000      74.37602      38.5   
1 1 1 29 18 15 o 1.834000       1.127000      161.3211      -114.2 
1 1 1 29 18 16 o -0.1094000     1.256000      202.1681      -59.8  
1 1 1 29 18 17 o -1.300000      1.306000      70.39856      21.2   
1 1 1 29 18 18 o -0.1804000     1.353000      124.1278      -157.5 
1 1 1 29 18 19 o -1.556000      1.208000      91.62852      163.8  
1 1 1 29 18 20 o 0.8011000      1.258000      255.7884      -70.3  
1 1 1 29 18 21 o 0.7760000      1.128000      42.36855      82.2   
1 1 1 29 18 22 o 1.769000       1.124000      134.2487      -79.7  
1 1 1 29 18 23 o 0.2695000      1.029000      104.4690      49.7   
1 1 1 29 18 24 o 1.955000       1.035000      96.42113      26.3   
1 1 1 29 18 25 o -0.9458000     1.015000      87.19866      109.0  
1 1 1 29 18 26 o -0.5334000     1.012000      34.17272      52.0   
1 1 1 29 18 27 o 1.817000       1.016000      229.3929      134.2  
1 1 1 29 18 28 o -0.3884000     1.027000      52.93696      -168.9 
1 1 1 29 18 29 o 0.2930000      1.052000      137.1823      111.2  
1 1 1 29 18 30 o 1.123000       1.279000      149.7147      103.2  
1 1 1 29 18 31 o 0.6037000      1.296000      133.2785      -127.8 
1 1 1 29 18 32 o 0.3798000      1.376000      135.6735      59.5   
1 1 1 29 18 33 o -0.7806000     1.377000      123.1028      16.6   
1 1 1 29 18 34 o 1.625000       1.168000      153.3510      -51.0  
1 1 1 29 18 35 o 1.479000       1.196000      159.6009      111.0  
1 1 1 29 18 36 o -0.6495000     1.125000      105.9307      -59.0  
1 1 1 29 18 37 o 1.781000       1.245000      149.6053      63.9   
1 1 1 29 18 38 o -1.050000      1.249000      102.6377      172.2  
1 1 1 29 18 39 o -0.1703000     1.401000      68.63985      112.6  
1 1 1 29 18 40 o -0.4495000     1.298000      105.1075      73.3   
1 1 1 29 18 41 o 0.7557000      1.471000      158.7426      -2.7   
1 1 1 29 18 42 o 0.2102000      1.509000      133.1722      -144.2 
1 1 1 29 18 43 o -0.1583000     1.329000      ?             ?      
1 1 1 29 18 44 o -0.6790000E-02 1.186000      ?             ?      
1 1 1 29 18 45 o -0.8849000E-02 1.176000      ?             ?      
1 1 1 29 18 46 o -0.9135000     1.167000      ?             ?      
1 1 1 29 18 47 o -0.7723000     1.144000      ?             ?      
1 1 1 29 18 48 o 2.016000       1.134000      ?             ?      
1 1 1 29 18 49 o 0.5394000E-01  1.128000      ?             ?      
1 1 1 29 18 50 o 0.5596000      1.151000      ?             ?      
1 1 1 29 18 51 f 3.172000       1.142000      ?             ?      
1 1 1 29 18 52 o -0.2631000     1.118000      ?             ?      
1 1 1 29 18 53 o -0.6704000     1.134000      ?             ?      
1 1 1 29 18 54 o 0.5209000      1.157000      ?             ?      
1 1 1 29 18 55 o -2.014000      1.349000      ?             ?      
1 1 1 29 18 56 o -0.9213000     2.126000      ?             ?      
1 1 1 29 18 57 o -0.4587000     1.309000      ?             ?      
1 1 1 29 18 58 o -0.5213000     1.377000      ?             ?      
1 1 1 29 18 59 o -0.6712000     1.620000      ?             ?      
1 1 1 29 18 60 o -2.079000      1.563000      ?             ?      
1 1 1 29 18 61 o 0.3216000      1.374000      ?             ?      
1 1 1 29 18 62 o 1.123000       1.266000      ?             ?      
1 1 1 29 19 0  o -0.9501000     1.800000      3.047276      90.0   
1 1 1 29 19 1  o -0.3798000     1.145000      136.7721      -144.0 
1 1 1 29 19 2  o 0.7743000      1.035000      174.5072      -129.9 
1 1 1 29 19 3  o 0.5412000      1.050000      117.9000      16.6   
1 1 1 29 19 4  o 0.4194000      1.046000      107.3524      -26.3  
1 1 1 29 19 5  o -1.015000      1.022000      31.21628      18.2   
1 1 1 29 19 6  o -1.180000      1.017000      128.7576      120.8  
1 1 1 29 19 7  o 2.144000       1.068000      60.08501      -130.0 
1 1 1 29 19 8  o -0.6178000     1.235000      9.317968      1.8    
1 1 1 29 19 9  o -0.7423000     1.230000      93.11501      42.5   
1 1 1 29 19 10 o -0.1355000     1.069000      94.83304      64.8   
1 1 1 29 19 11 o 0.2831000      1.065000      92.37720      36.0   
1 1 1 29 19 12 o -1.327000      1.064000      92.57561      -93.7  
1 1 1 29 19 13 o 0.8223000      1.069000      125.6466      -107.2 
1 1 1 29 19 14 o 0.2607000      1.076000      204.5598      6.3    
1 1 1 29 19 15 o -0.6368000     1.256000      107.5624      170.7  
1 1 1 29 19 16 o -0.6227000E-01 1.347000      168.5043      -45.6  
1 1 1 29 19 17 o 0.7406000      1.373000      295.7386      -9.0   
1 1 1 29 19 18 o -1.024000      1.403000      123.2039      -60.5  
1 1 1 29 19 19 o -1.261000      1.256000      164.2193      -80.0  
1 1 1 29 19 20 o -1.040000      1.293000      54.28172      -170.0 
1 1 1 29 19 21 o -0.2174000     1.119000      101.4812      -19.1  
1 1 1 29 19 22 o 1.035000       1.157000      149.0587      155.9  
1 1 1 29 19 23 o 1.672000       1.051000      56.76077      78.9   
1 1 1 29 19 24 o -1.638000      1.038000      67.58419      144.0  
1 1 1 29 19 25 o -1.674000      1.009000      79.24319      36.3   
1 1 1 29 19 26 o 0.1798000      1.000000      134.4887      -72.5  
1 1 1 29 19 27 o 1.483000       1.021000      89.96860      139.7  
1 1 1 29 19 28 o 1.135000       1.039000      144.5763      -63.6  
1 1 1 29 19 29 o 3.486000       1.065000      195.7441      17.4   
1 1 1 29 19 30 o -0.8709000     1.081000      55.51513      163.8  
1 1 1 29 19 31 o 1.929000       1.306000      82.90239      50.3   
1 1 1 29 19 32 o 1.221000       1.322000      95.71210      61.9   
1 1 1 29 19 33 o -2.054000      1.383000      72.20299      162.7  
1 1 1 29 19 34 o -1.773000      1.146000      44.69507      111.1  
1 1 1 29 19 35 o 0.2403000      1.246000      38.73276      179.0  
1 1 1 29 19 36 o 1.196000       1.111000      114.5027      -138.8 
1 1 1 29 19 37 o 1.299000       1.155000      205.4144      -41.5  
1 1 1 29 19 38 o -3.039000      1.262000      65.30644      -144.0 
1 1 1 29 19 39 o -0.3782000     1.275000      116.3331      68.0   
1 1 1 29 19 40 o 1.154000       1.376000      30.05077      -70.1  
1 1 1 29 19 41 o 0.1938000      1.443000      96.55972      -36.8  
1 1 1 29 19 42 o -2.496000      1.484000      64.46196      4.2    
1 1 1 29 19 43 o -0.9654000     1.260000      ?             ?      
1 1 1 29 19 44 o -1.303000      1.193000      ?             ?      
1 1 1 29 19 45 o -0.4948000     1.172000      ?             ?      
1 1 1 29 19 46 o -0.2193000E-01 1.169000      ?             ?      
1 1 1 29 19 47 o 0.3342000      1.642000      ?             ?      
1 1 1 29 19 48 o 1.918000       1.131000      ?             ?      
1 1 1 29 19 49 o 0.6972000      1.127000      ?             ?      
1 1 1 29 19 50 o -0.9932000     1.125000      ?             ?      
1 1 1 29 19 51 o 0.4767000      1.126000      ?             ?      
1 1 1 29 19 52 o -0.4440000     1.125000      ?             ?      
1 1 1 29 19 53 o -0.4858000     1.134000      ?             ?      
1 1 1 29 19 54 o -0.1475000     1.146000      ?             ?      
1 1 1 29 19 55 o -1.431000      1.349000      ?             ?      
1 1 1 29 19 56 o -1.283000      1.380000      ?             ?      
1 1 1 29 19 57 o -0.4246000     1.534000      ?             ?      
1 1 1 29 19 58 o -0.4270000     1.581000      ?             ?      
1 1 1 29 19 59 o -2.466000      1.471000      ?             ?      
1 1 1 29 19 60 o 0.8929000      1.337000      ?             ?      
1 1 1 29 19 61 o 0.4574000      1.440000      ?             ?      
1 1 1 29 19 62 o -0.1573000     1.994000      ?             ?      
1 1 1 29 20 0  o 1.169000       1.656000      90.86039      -90.0  
1 1 1 29 20 1  o -0.6934000     1.047000      82.46581      -36.4  
1 1 1 29 20 2  o -0.4449000     1.097000      37.63537      85.3   
1 1 1 29 20 3  o -2.232000      1.205000      52.13502      -22.6  
1 1 1 29 20 4  o 0.3785000      1.019000      22.00576      -62.5  
1 1 1 29 20 5  o -0.2961000     1.002000      35.63609      -141.9 
1 1 1 29 20 6  o -2.311000      1.020000      50.02460      -140.2 
1 1 1 29 20 7  o 0.7399000      1.054000      85.43270      -74.2  
1 1 1 29 20 8  o -1.428000      1.054000      52.07585      -154.4 
1 1 1 29 20 9  o -0.2432000     1.059000      8.345492      -93.4  
1 1 1 29 20 10 o -1.176000      1.073000      108.8229      105.6  
1 1 1 29 20 11 o 0.1627000      1.219000      69.24210      99.2   
1 1 1 29 20 12 o -0.4394000     1.208000      112.8518      34.1   
1 1 1 29 20 13 o -0.4480000     1.072000      134.2599      -24.1  
1 1 1 29 20 14 o 0.5950000      1.093000      80.72011      31.5   
1 1 1 29 20 15 o -0.4492000     1.258000      45.51582      152.6  
1 1 1 29 20 16 o -1.553000      1.338000      38.09476      3.0    
1 1 1 29 20 17 o -3.095000      1.381000      18.48602      133.6  
1 1 1 29 20 18 o 0.3242000      1.243000      75.73824      1.6    
1 1 1 29 20 19 o -0.8214000     1.524000      53.82719      -54.5  
1 1 1 29 20 20 o 1.088000       1.454000      192.2337      -74.7  
1 1 1 29 20 21 o -0.2130000     1.177000      71.01548      -131.5 
1 1 1 29 20 22 o -0.5816000     1.055000      74.77919      31.0   
1 1 1 29 20 23 o -1.214000      1.052000      60.38023      -177.7 
1 1 1 29 20 24 o 0.5349000      1.054000      109.5640      -80.8  
1 1 1 29 20 25 o -0.9432000     1.013000      16.93540      172.8  
1 1 1 29 20 26 o -0.1855000     1.002000      115.3211      84.8   
1 1 1 29 20 27 o -0.5659000E-01 1.019000      16.14286      169.3  
1 1 1 29 20 28 o 2.023000       1.044000      106.8661      -157.5 
1 1 1 29 20 29 o 0.7970000      1.067000      33.49185      -61.6  
1 1 1 29 20 30 o 1.552000       1.089000      104.6372      146.8  
1 1 1 29 20 31 o 1.920000       1.298000      77.73179      -71.6  
1 1 1 29 20 32 o -1.150000      1.305000      64.74603      -37.4  
1 1 1 29 20 33 o -2.393000      1.377000      52.50774      3.3    
1 1 1 29 20 34 o -0.4471000E-01 1.167000      77.43060      -144.9 
1 1 1 29 20 35 o 1.411000       1.180000      119.6765      128.8  
1 1 1 29 20 36 o 0.5864000      1.129000      58.44040      16.8   
1 1 1 29 20 37 o 0.6012000      1.143000      58.38256      161.1  
1 1 1 29 20 38 o -0.9398000     1.246000      48.55962      151.0  
1 1 1 29 20 39 o 0.8060000      1.226000      56.58212      18.6   
1 1 1 29 20 40 o -0.8447000     1.599000      29.22479      -29.7  
1 1 1 29 20 41 o 2.192000       1.551000      151.6243      38.0   
1 1 1 29 20 42 o -0.9298000     1.417000      ?             ?      
1 1 1 29 20 43 o -1.650000      1.188000      ?             ?      
1 1 1 29 20 44 o -0.7943000E-01 1.188000      ?             ?      
1 1 1 29 20 45 o 0.8130000E-01  1.173000      ?             ?      
1 1 1 29 20 46 o 0.2708000      1.166000      ?             ?      
1 1 1 29 20 47 o -0.8111000     1.137000      ?             ?      
1 1 1 29 20 48 o 1.517000       1.114000      ?             ?      
1 1 1 29 20 49 o 0.1348000      1.110000      ?             ?      
1 1 1 29 20 50 o 0.8948000      1.140000      ?             ?      
1 1 1 29 20 51 o -0.7848000     1.132000      ?             ?      
1 1 1 29 20 52 o 1.185000       1.140000      ?             ?      
1 1 1 29 20 53 o 1.283000       1.136000      ?             ?      
1 1 1 29 20 54 o -0.2022000     1.142000      ?             ?      
1 1 1 29 20 55 o 0.8182000E-02  1.189000      ?             ?      
1 1 1 29 20 56 o -0.1830000     1.378000      ?             ?      
1 1 1 29 20 57 o 0.8621000      1.596000      ?             ?      
1 1 1 29 20 58 o 3.037000       2.104000      ?             ?      
1 1 1 29 20 59 o 0.1658000      1.360000      ?             ?      
1 1 1 29 20 60 o 0.5259000      1.335000      ?             ?      
1 1 1 29 20 61 o 0.3893000      1.360000      ?             ?      
1 1 1 29 21 0  o -2.065000      1.328000      33.47934      90.0   
1 1 1 29 21 1  o -3.370000      0.9444000     60.22689      -104.7 
1 1 1 29 21 2  o -1.212000      1.045000      9.753721      71.4   
1 1 1 29 21 3  o -1.410000      1.039000      78.70971      -109.1 
1 1 1 29 21 4  o -0.7973000     1.088000      92.20320      -32.6  
1 1 1 29 21 5  o -1.973000      1.236000      109.3101      24.5   
1 1 1 29 21 6  o -1.362000      1.174000      56.90997      -66.9  
1 1 1 29 21 7  o -1.115000      1.768000      37.15220      56.5   
1 1 1 29 21 8  f 0.4999000E-01  1.063000      32.84206      89.4   
1 1 1 29 21 9  o -3.744000      1.144000      20.55392      -150.6 
1 1 1 29 21 10 o 0.4719000      1.061000      13.29802      -63.1  
1 1 1 29 21 11 o -1.820000      1.063000      23.26548      -137.7 
1 1 1 29 21 12 o 0.7653000E-01  1.068000      58.85806      141.4  
1 1 1 29 21 13 o -2.000000      1.062000      83.01605      147.2  
1 1 1 29 21 14 o 1.430000       1.355000      54.49368      47.1   
1 1 1 29 21 15 o -3.045000      1.761000      21.38136      -82.5  
1 1 1 29 21 16 o -1.253000      1.286000      51.14021      -44.2  
1 1 1 29 21 17 o -0.5827000     1.198000      41.64125      36.5   
1 1 1 29 21 18 o -0.6355000     1.227000      109.8213      5.6    
1 1 1 29 21 19 o -1.710000      1.495000      121.6565      94.3   
1 1 1 29 21 20 o -1.384000      1.452000      53.88133      -77.8  
1 1 1 29 21 21 o -1.671000      1.395000      80.58041      24.0   
1 1 1 29 21 22 o 0.5438000E-01  1.056000      50.48708      77.3   
1 1 1 29 21 23 o -0.1090000     1.037000      18.69764      -163.4 
1 1 1 29 21 24 o 0.5264000      1.042000      165.9895      -106.8 
1 1 1 29 21 25 o 0.8154000      1.023000      82.04425      170.7  
1 1 1 29 21 26 o 0.6154000      1.026000      47.03415      -92.0  
1 1 1 29 21 27 o -1.030000      1.031000      74.06715      24.9   
1 1 1 29 21 28 o 0.7961000      1.059000      193.0441      25.5   
1 1 1 29 21 29 o -0.5067000     1.060000      72.04769      97.5   
1 1 1 29 21 30 o -0.6839000     1.069000      77.30877      -27.5  
1 1 1 29 21 31 o -1.909000      1.303000      54.04871      -95.5  
1 1 1 29 21 32 o -2.239000      1.288000      78.11707      114.4  
1 1 1 29 21 33 o 1.961000       1.373000      69.74446      -138.0 
1 1 1 29 21 34 o -1.795000      1.196000      42.88860      133.0  
1 1 1 29 21 35 o 0.3724000      1.207000      70.01083      -64.2  
1 1 1 29 21 36 o 1.527000       1.217000      56.42666      -74.1  
1 1 1 29 21 37 o 0.8711000      1.134000      94.35114      -6.5   
1 1 1 29 21 38 o -1.002000      1.117000      51.82161      102.0  
1 1 1 29 21 39 o -0.3440000E-01 1.254000      61.52763      -148.5 
1 1 1 29 21 40 o 1.463000       1.411000      27.31900      -57.3  
1 1 1 29 21 41 o 0.9088000      1.915000      ?             ?      
1 1 1 29 21 42 o -0.6032000     1.316000      ?             ?      
1 1 1 29 21 43 o -0.9076000     1.178000      ?             ?      
1 1 1 29 21 44 o 1.980000       1.176000      ?             ?      
1 1 1 29 21 45 o -0.4472000     1.153000      ?             ?      
1 1 1 29 21 46 o 0.3882000      1.142000      ?             ?      
1 1 1 29 21 47 o 0.4384000E-01  1.108000      ?             ?      
1 1 1 29 21 48 o 0.7127000      1.104000      ?             ?      
1 1 1 29 21 49 o 0.2962000      1.112000      ?             ?      
1 1 1 29 21 50 o 0.1387000      1.135000      ?             ?      
1 1 1 29 21 51 o 1.654000       1.147000      ?             ?      
1 1 1 29 21 52 o -0.2421000     1.137000      ?             ?      
1 1 1 29 21 53 o -1.830000      1.138000      ?             ?      
1 1 1 29 21 54 o -0.3997000     1.146000      ?             ?      
1 1 1 29 21 55 o 0.6256000      1.170000      ?             ?      
1 1 1 29 21 56 o -0.3781000     1.366000      ?             ?      
1 1 1 29 21 57 o -2.823000      1.820000      ?             ?      
1 1 1 29 21 58 o 0.7634000      1.532000      ?             ?      
1 1 1 29 21 59 o -0.4832000     1.234000      ?             ?      
1 1 1 29 21 60 o -0.4586000     1.236000      ?             ?      
1 1 1 29 21 61 o -0.8672000     1.426000      ?             ?      
1 1 1 29 22 0  o -0.7039000     1.326000      31.44444      -90.0  
1 1 1 29 22 1  o -0.5077000     0.9319000     57.56728      36.7   
1 1 1 29 22 2  o -0.9266000E-01 1.043000      89.36640      -38.6  
1 1 1 29 22 3  o -0.7831000     0.9987000     122.2738      87.5   
1 1 1 29 22 4  o -0.9137000     1.056000      20.20693      156.8  
1 1 1 29 22 5  o -0.8427000     1.035000      112.5101      138.6  
1 1 1 29 22 6  o -0.3426000     1.130000      79.62518      11.1   
1 1 1 29 22 7  o -2.286000      1.081000      57.12408      -115.9 
1 1 1 29 22 8  o 0.2108000      1.386000      110.9765      5.3    
1 1 1 29 22 9  o -0.4253000E-01 1.207000      42.62589      113.0  
1 1 1 29 22 10 o -0.1335000     1.044000      102.4387      139.5  
1 1 1 29 22 11 o 1.204000       1.040000      85.20606      10.2   
1 1 1 29 22 12 o -0.5662000     1.031000      25.51361      162.4  
1 1 1 29 22 13 o -1.036000      1.106000      26.28519      -51.1  
1 1 1 29 22 14 o -0.5937000     1.162000      64.93919      177.1  
1 1 1 29 22 15 o -1.399000      1.121000      155.9135      150.6  
1 1 1 29 22 16 o -1.905000      1.308000      67.24355      -151.0 
1 1 1 29 22 17 o -1.908000      1.340000      48.20317      160.7  
1 1 1 29 22 18 o -0.9112000     1.431000      61.09028      -122.7 
1 1 1 29 22 19 o 0.9034000      1.440000      31.93199      -125.0 
1 1 1 29 22 20 o -0.2027000     1.456000      60.28245      -78.8  
1 1 1 29 22 21 o 0.1589000E-01  1.197000      85.10882      -13.2  
1 1 1 29 22 22 o -2.677000      1.172000      78.06705      154.3  
1 1 1 29 22 23 o 1.012000       1.039000      64.41517      -29.9  
1 1 1 29 22 24 o 0.8888000      1.043000      132.0502      -31.8  
1 1 1 29 22 25 o -0.9632000E-01 1.037000      55.47955      -138.0 
1 1 1 29 22 26 o -0.4814000E-01 1.030000      19.39607      85.8   
1 1 1 29 22 27 o -0.6049000     1.053000      114.8702      92.2   
1 1 1 29 22 28 o -2.217000      1.054000      40.08558      41.0   
1 1 1 29 22 29 o 0.8806000      1.064000      84.10903      -177.2 
1 1 1 29 22 30 o 0.1260000      1.062000      1.664915      166.7  
1 1 1 29 22 31 o -0.3951000     1.288000      82.23504      -34.7  
1 1 1 29 22 32 o -2.273000      1.282000      79.83727      -38.9  
1 1 1 29 22 33 o 1.774000       1.308000      37.91913      -179.8 
1 1 1 29 22 34 o -1.457000      1.393000      84.34158      27.7   
1 1 1 29 22 35 o -0.3646000     1.193000      28.22101      -14.7  
1 1 1 29 22 36 o 1.794000       1.224000      52.42108      98.3   
1 1 1 29 22 37 o 0.2110000      1.132000      59.83751      176.2  
1 1 1 29 22 38 o -0.2324000     1.113000      71.98345      -13.7  
1 1 1 29 22 39 o -0.8889000     1.363000      79.11745      2.3    
1 1 1 29 22 40 o 1.480000       1.522000      13.48042      117.4  
1 1 1 29 22 41 o -0.5765000     1.374000      ?             ?      
1 1 1 29 22 42 o -1.638000      1.331000      ?             ?      
1 1 1 29 22 43 o -0.7190000     1.226000      ?             ?      
1 1 1 29 22 44 o -0.9566000     1.134000      ?             ?      
1 1 1 29 22 45 o 1.204000       1.125000      ?             ?      
1 1 1 29 22 46 o -1.274000      1.108000      ?             ?      
1 1 1 29 22 47 o 0.9166000      1.104000      ?             ?      
1 1 1 29 22 48 o -1.137000      1.095000      ?             ?      
1 1 1 29 22 49 o 0.1413000      1.105000      ?             ?      
1 1 1 29 22 50 o -0.3032000     1.140000      ?             ?      
1 1 1 29 22 51 o -0.7433000     1.133000      ?             ?      
1 1 1 29 22 52 o 1.238000       1.139000      ?             ?      
1 1 1 29 22 53 o 1.862000       1.142000      ?             ?      
1 1 1 29 22 54 o -1.562000      1.148000      ?             ?      
1 1 1 29 22 55 o -0.3052000     1.165000      ?             ?      
1 1 1 29 22 56 o 1.652000       1.630000      ?             ?      
1 1 1 29 22 57 o 0.4293000      2.059000      ?             ?      
1 1 1 29 22 58 o 0.5904000      1.532000      ?             ?      
1 1 1 29 22 59 o 0.8829000      1.419000      ?             ?      
1 1 1 29 22 60 o 1.927000       1.331000      ?             ?      
1 1 1 29 22 61 o 4.240000       3.061000      ?             ?      
1 1 1 29 23 0  o 2.011000       1.513000      98.60977      -90.0  
1 1 1 29 23 1  o -1.173000      0.9392000     36.75455      163.9  
1 1 1 29 23 2  o -1.276000      0.9474000     69.01520      -85.6  
1 1 1 29 23 3  o -0.1408000     0.9948000     118.2373      17.2   
1 1 1 29 23 4  o 0.3458000E-01  1.006000      104.3053      -116.0 
1 1 1 29 23 5  o -0.8099000E-01 1.019000      67.20238      42.7   
1 1 1 29 23 6  o 0.1680000      0.9766000     40.41105      -68.0  
1 1 1 29 23 7  o -0.6910000     1.058000      134.0936      113.7  
1 1 1 29 23 8  o -0.1939000     1.067000      103.4130      -40.0  
1 1 1 29 23 9  o -1.206000      1.025000      19.17801      136.3  
1 1 1 29 23 10 o -0.6614000     1.083000      80.75385      -30.2  
1 1 1 29 23 11 o -1.291000      1.191000      32.10325      13.5   
1 1 1 29 23 12 o -0.4669000     1.083000      83.71261      60.5   
1 1 1 29 23 13 o -0.5233000     1.081000      24.39945      104.9  
1 1 1 29 23 14 o -1.022000      1.155000      39.43378      -58.7  
1 1 1 29 23 15 o -1.166000      1.172000      164.6880      -33.5  
1 1 1 29 23 16 o -2.577000      1.146000      52.04158      -126.2 
1 1 1 29 23 17 o -2.236000      1.160000      40.43615      157.3  
1 1 1 29 23 18 o -3.293000      1.329000      78.75590      154.3  
1 1 1 29 23 19 o 0.6234000      1.369000      155.3413      -37.4  
1 1 1 29 23 20 o -0.8983000     1.384000      56.30252      -46.0  
1 1 1 29 23 21 o 2.042000       1.202000      130.4419      105.6  
1 1 1 29 23 22 o 1.118000       1.132000      43.51101      119.2  
1 1 1 29 23 23 o -1.359000      1.203000      166.1571      66.7   
1 1 1 29 23 24 o -0.7864000     1.068000      140.0798      -54.5  
1 1 1 29 23 25 o -0.5038000     1.035000      99.39880      126.2  
1 1 1 29 23 26 o 1.474000       1.040000      37.13407      141.0  
1 1 1 29 23 27 o 1.190000       1.056000      77.26039      99.0   
1 1 1 29 23 28 o -0.1364000     1.055000      74.20103      -4.2   
1 1 1 29 23 29 o -0.2199000     1.068000      11.55225      130.5  
1 1 1 29 23 30 o -0.4576000     1.063000      23.10091      -90.0  
1 1 1 29 23 31 o -0.5879000     1.088000      64.31433      176.5  
1 1 1 29 23 32 o -0.8402000     1.268000      47.41552      -93.2  
1 1 1 29 23 33 o 1.589000       1.302000      91.58894      79.0   
1 1 1 29 23 34 o 0.8438000      1.371000      35.45479      30.0   
1 1 1 29 23 35 o 1.233000       1.200000      79.02135      34.8   
1 1 1 29 23 36 o 1.619000       1.206000      167.7965      27.6   
1 1 1 29 23 37 o -0.8850000E-01 1.129000      71.27847      126.5  
1 1 1 29 23 38 o -0.7455000     1.151000      33.92753      -99.9  
1 1 1 29 23 39 o -0.7457000     1.291000      55.81571      -79.7  
1 1 1 29 23 40 o 2.441000       1.525000      ?             ?      
1 1 1 29 23 41 o 0.6334000      1.240000      ?             ?      
1 1 1 29 23 42 o -1.293000      1.326000      ?             ?      
1 1 1 29 23 43 o 1.046000       1.217000      ?             ?      
1 1 1 29 23 44 o 0.1801000      1.197000      ?             ?      
1 1 1 29 23 45 o -1.123000      1.108000      ?             ?      
1 1 1 29 23 46 o -1.381000      1.099000      ?             ?      
1 1 1 29 23 47 o -0.2924000     1.097000      ?             ?      
1 1 1 29 23 48 o 0.5715000      1.095000      ?             ?      
1 1 1 29 23 49 o -0.1307000     1.089000      ?             ?      
1 1 1 29 23 50 o -0.2186000     1.130000      ?             ?      
1 1 1 29 23 51 o -0.7986000E-01 1.133000      ?             ?      
1 1 1 29 23 52 o -0.7346000     1.134000      ?             ?      
1 1 1 29 23 53 o 0.1065000      1.146000      ?             ?      
1 1 1 29 23 54 o -0.1738000E-01 1.150000      ?             ?      
1 1 1 29 23 55 o -0.9580000E-02 1.179000      ?             ?      
1 1 1 29 23 56 o -0.1571000     1.390000      ?             ?      
1 1 1 29 23 57 o -3.038000      2.255000      ?             ?      
1 1 1 29 23 58 o 0.5562000      1.544000      ?             ?      
1 1 1 29 23 59 o -0.1700000     1.492000      ?             ?      
1 1 1 29 23 60 o 0.3444000      1.252000      ?             ?      
1 1 1 29 24 0  o 1.533000       1.307000      48.84140      90.0   
1 1 1 29 24 1  o 0.1146000      0.9392000     142.4336      0.2    
1 1 1 29 24 2  o 0.5076000      0.9364000     93.54579      -159.4 
1 1 1 29 24 3  o 1.014000       0.9993000     61.79542      113.9  
1 1 1 29 24 4  o 1.674000       1.008000      128.8526      -149.4 
1 1 1 29 24 5  o 0.4056000      1.010000      213.7777      -92.1  
1 1 1 29 24 6  o 0.4704000      0.9941000     107.6541      71.1   
1 1 1 29 24 7  o -0.6873000     0.9590000     148.3517      -13.6  
1 1 1 29 24 8  o -1.115000      0.9632000     45.12034      -95.8  
1 1 1 29 24 9  o -0.4706000     0.9786000     186.3867      102.6  
1 1 1 29 24 10 o 0.8073000      1.011000      130.9205      -89.2  
1 1 1 29 24 11 o 0.5138000E-01  1.017000      102.1474      67.8   
1 1 1 29 24 12 o -0.3584000     1.094000      145.4203      -113.3 
1 1 1 29 24 13 o 0.1713000      1.164000      79.74399      -72.4  
1 1 1 29 24 14 o 2.391000       1.223000      239.6473      125.9  
1 1 1 29 24 15 o 1.423000       1.220000      193.3365      163.6  
1 1 1 29 24 16 o -0.7617000     1.211000      95.68695      -27.9  
1 1 1 29 24 17 o -0.7709000     1.170000      36.69888      -147.9 
1 1 1 29 24 18 o -0.3994000     1.332000      44.59682      19.9   
1 1 1 29 24 19 o -0.3298000     1.342000      100.8136      -177.1 
1 1 1 29 24 20 o -0.8835000     1.163000      27.83420      -19.3  
1 1 1 29 24 21 o 0.8253000      1.151000      96.20695      161.2  
1 1 1 29 24 22 o 0.1198000      1.317000      162.5742      143.9  
1 1 1 29 24 23 o 2.243000       1.304000      49.12947      -111.9 
1 1 1 29 24 24 o -0.4447000     1.199000      57.05552      -62.3  
1 1 1 29 24 25 o -1.435000      1.035000      102.7844      -132.4 
1 1 1 29 24 26 o 0.4970000      1.107000      176.8600      156.6  
1 1 1 29 24 27 o 0.7989000      1.119000      186.0432      109.4  
1 1 1 29 24 28 o 0.7690000E-01  1.071000      95.86987      -104.3 
1 1 1 29 24 29 o -0.9763000     1.064000      82.96883      -19.4  
1 1 1 29 24 30 o -1.205000      1.052000      10.76408      174.3  
1 1 1 29 24 31 o 0.5872000      1.066000      25.82479      -136.2 
1 1 1 29 24 32 o 1.640000       1.263000      95.86887      129.3  
1 1 1 29 24 33 o 1.387000       1.301000      97.68859      -77.5  
1 1 1 29 24 34 o 1.925000       1.374000      142.5043      105.7  
1 1 1 29 24 35 o 2.105000       1.193000      12.69364      -38.4  
1 1 1 29 24 36 o 0.3054000      1.175000      11.45745      -82.8  
1 1 1 29 24 37 o -1.705000      1.169000      108.2646      -60.8  
1 1 1 29 24 38 o 0.4278000      1.220000      121.2559      20.7   
1 1 1 29 24 39 o 0.4715000      1.275000      ?             ?      
1 1 1 29 24 40 o 0.4069000      1.195000      ?             ?      
1 1 1 29 24 41 o -2.212000      1.190000      ?             ?      
1 1 1 29 24 42 o 1.405000       1.182000      ?             ?      
1 1 1 29 24 43 f 2.010000       1.201000      ?             ?      
1 1 1 29 24 44 o 0.4293000      1.181000      ?             ?      
1 1 1 29 24 45 o -0.7102000E-01 1.070000      ?             ?      
1 1 1 29 24 46 o 1.199000       1.091000      ?             ?      
1 1 1 29 24 47 o -0.8739000     1.084000      ?             ?      
1 1 1 29 24 48 o -1.064000      1.097000      ?             ?      
1 1 1 29 24 49 o 0.3092000      1.092000      ?             ?      
1 1 1 29 24 50 o -1.447000      1.113000      ?             ?      
1 1 1 29 24 51 o -1.054000      1.137000      ?             ?      
1 1 1 29 24 52 o -0.5115000     1.126000      ?             ?      
1 1 1 29 24 53 o -0.3291000     1.133000      ?             ?      
1 1 1 29 24 54 f -1.218000      1.153000      ?             ?      
1 1 1 29 24 55 o 1.307000       1.470000      ?             ?      
1 1 1 29 24 56 o -1.493000      1.799000      ?             ?      
1 1 1 29 24 57 o 0.3425000      1.760000      ?             ?      
1 1 1 29 24 58 o -0.1198000     1.505000      ?             ?      
1 1 1 29 24 59 o -0.3469000     1.343000      ?             ?      
1 1 1 29 24 60 o 0.6380000      1.973000      ?             ?      
1 1 1 29 25 0  o -0.2368000     1.271000      210.1900      -90.0  
1 1 1 29 25 1  o 0.6655000      0.9397000     171.7113      -62.5  
1 1 1 29 25 2  o 3.442000       0.9295000     254.3041      -45.1  
1 1 1 29 25 3  o 1.557000       0.9930000     155.1246      46.7   
1 1 1 29 25 4  o 0.8359000      0.9975000     84.86285      78.1   
1 1 1 29 25 5  o 2.012000       1.004000      119.4041      -47.8  
1 1 1 29 25 6  o 1.760000       0.9930000     107.1881      -18.7  
1 1 1 29 25 7  o 0.4730000E-01  0.9792000     116.6389      -12.5  
1 1 1 29 25 8  o 1.750000       0.9483000     202.7771      17.9   
1 1 1 29 25 9  o -1.047000      0.9612000     116.8355      53.1   
1 1 1 29 25 10 o 3.279000       0.9980000     178.4402      121.0  
1 1 1 29 25 11 o -0.2711000     1.096000      89.06134      -16.0  
1 1 1 29 25 12 o 0.2047000      1.183000      88.56259      -97.6  
1 1 1 29 25 13 o 0.4974000      1.210000      108.8676      -80.0  
1 1 1 29 25 14 o -1.082000      1.218000      48.54258      92.7   
1 1 1 29 25 15 o -0.7322000     1.119000      96.07664      -59.2  
1 1 1 29 25 16 o 2.272000       1.260000      167.0593      -127.6 
1 1 1 29 25 17 o 0.5822000      1.778000      192.2139      52.1   
1 1 1 29 25 18 o 2.040000       1.726000      159.0031      -42.6  
1 1 1 29 25 19 o -1.215000      1.356000      101.0976      68.7   
1 1 1 29 25 20 o 0.2453000      1.201000      165.1058      48.3   
1 1 1 29 25 21 o -0.4692000     1.182000      82.21575      123.6  
1 1 1 29 25 22 o -0.2494000     1.127000      105.9146      -6.1   
1 1 1 29 25 23 o 2.142000       1.141000      204.4557      78.5   
1 1 1 29 25 24 o 1.614000       1.145000      255.2771      -63.1  
1 1 1 29 25 25 o -1.616000      1.352000      97.53837      -152.4 
1 1 1 29 25 26 o 1.886000       1.108000      110.2806      -105.1 
1 1 1 29 25 27 o -0.2601000E-01 1.063000      63.73337      -3.2   
1 1 1 29 25 28 o -1.333000      1.065000      52.43388      122.5  
1 1 1 29 25 29 o 1.148000       1.109000      105.6532      -90.9  
1 1 1 29 25 30 o 0.2455000E-01  1.111000      15.63446      64.4   
1 1 1 29 25 31 o 1.488000       1.077000      104.2781      -30.5  
1 1 1 29 25 32 o 0.6070000      1.247000      24.90957      -161.6 
1 1 1 29 25 33 o -0.7225000E-01 1.275000      53.33535      179.6  
1 1 1 29 25 34 o 2.186000       1.362000      118.1264      31.5   
1 1 1 29 25 35 o 0.1967000      1.361000      79.13863      12.2   
1 1 1 29 25 36 o 3.506000       1.177000      198.9637      26.4   
1 1 1 29 25 37 o -0.5874000     1.207000      43.85533      142.1  
1 1 1 29 25 38 o 0.9009000      1.302000      ?             ?      
1 1 1 29 25 39 o 0.7193000      1.306000      ?             ?      
1 1 1 29 25 40 o -0.6335000     1.127000      ?             ?      
1 1 1 29 25 41 o 0.6623000      1.163000      ?             ?      
1 1 1 29 25 42 o 2.260000       1.152000      ?             ?      
1 1 1 29 25 43 o -0.2544000     1.263000      ?             ?      
1 1 1 29 25 44 o 0.8182000      1.177000      ?             ?      
1 1 1 29 25 45 o 0.7738000      1.168000      ?             ?      
1 1 1 29 25 46 o 1.552000       1.047000      ?             ?      
1 1 1 29 25 47 o 0.1472000      1.043000      ?             ?      
1 1 1 29 25 48 o 0.2810000E-01  1.083000      ?             ?      
1 1 1 29 25 49 o -0.3790000     1.083000      ?             ?      
1 1 1 29 25 50 o 0.1316000      1.099000      ?             ?      
1 1 1 29 25 51 o 0.5551000      1.130000      ?             ?      
1 1 1 29 25 52 o 1.199000       1.137000      ?             ?      
1 1 1 29 25 53 o 1.033000       1.226000      ?             ?      
1 1 1 29 25 54 o 1.458000       1.366000      ?             ?      
1 1 1 29 25 55 o -1.412000      1.527000      ?             ?      
1 1 1 29 25 56 o -0.7517000     1.374000      ?             ?      
1 1 1 29 25 57 o -2.011000      2.539000      ?             ?      
1 1 1 29 25 58 o 0.6755000      1.411000      ?             ?      
1 1 1 29 25 59 o -1.956000      1.335000      ?             ?      
1 1 1 29 26 0  o 4.355000       1.286000      271.9247      90.0   
1 1 1 29 26 1  o -1.276000      0.9140000     122.9186      -53.4  
1 1 1 29 26 2  o 3.443000       0.9232000     364.0443      146.9  
1 1 1 29 26 3  o 0.9595000      1.010000      114.9615      -83.9  
1 1 1 29 26 4  o -1.113000      1.132000      48.19233      -156.6 
1 1 1 29 26 5  o 1.486000       1.066000      97.71622      12.9   
1 1 1 29 26 6  o 1.076000       0.9859000     185.6445      43.8   
1 1 1 29 26 7  o 1.298000       1.002000      140.4145      -88.5  
1 1 1 29 26 8  o 1.557000       0.9605000     195.5576      169.0  
1 1 1 29 26 9  o 6.634000       1.041000      422.0509      -113.5 
1 1 1 29 26 10 o -0.9380000     1.096000      60.67117      -82.7  
1 1 1 29 26 11 o 0.6950000      1.184000      128.7877      -137.1 
1 1 1 29 26 12 o -0.6766000     1.193000      171.2406      -102.4 
1 1 1 29 26 13 o 2.149000       1.223000      244.8844      122.7  
1 1 1 29 26 14 o 1.343000       1.111000      251.6881      68.2   
1 1 1 29 26 15 o 2.147000       1.164000      142.4351      -149.7 
1 1 1 29 26 16 o 0.1043000      1.298000      41.41788      152.0  
1 1 1 29 26 17 o 0.5135000      1.467000      100.5923      141.8  
1 1 1 29 26 18 o 4.114000       1.481000      338.6190      167.5  
1 1 1 29 26 19 o 1.166000       1.269000      139.9069      112.5  
1 1 1 29 26 20 o -1.054000      1.332000      29.72407      -50.6  
1 1 1 29 26 21 o -0.6494000     1.209000      81.13934      119.0  
1 1 1 29 26 22 o 2.370000       1.196000      272.6956      -142.8 
1 1 1 29 26 23 o 0.5714000      1.151000      77.62917      121.7  
1 1 1 29 26 24 o 2.019000       1.156000      150.6211      55.7   
1 1 1 29 26 25 o -2.231000      1.136000      85.61662      -76.6  
1 1 1 29 26 26 o 2.358000       1.232000      216.5449      -163.6 
1 1 1 29 26 27 o 1.777000       1.061000      89.41339      111.4  
1 1 1 29 26 28 o 0.7738000      1.107000      102.4044      -18.2  
1 1 1 29 26 29 o 0.6288000      1.109000      48.16590      -71.7  
1 1 1 29 26 30 o -1.223000      1.066000      123.2177      136.9  
1 1 1 29 26 31 o -0.7063000     1.082000      118.9877      -151.6 
1 1 1 29 26 32 o 1.375000       1.301000      101.7737      -20.1  
1 1 1 29 26 33 o 1.937000       1.333000      83.47200      -63.2  
1 1 1 29 26 34 o 3.067000       1.300000      43.32674      41.4   
1 1 1 29 26 35 o -0.5723000     1.347000      56.84206      -132.9 
1 1 1 29 26 36 o 1.243000       1.216000      17.88033      -8.1   
1 1 1 29 26 37 o -1.157000      1.315000      ?             ?      
1 1 1 29 26 38 o 0.7664000      1.235000      ?             ?      
1 1 1 29 26 39 o 0.9870000      1.143000      ?             ?      
1 1 1 29 26 40 o 1.218000       1.118000      ?             ?      
1 1 1 29 26 41 o 1.460000       1.077000      ?             ?      
1 1 1 29 26 42 o 0.4818000      1.121000      ?             ?      
1 1 1 29 26 43 o -0.5507000     1.117000      ?             ?      
1 1 1 29 26 44 o -0.7473000     1.230000      ?             ?      
1 1 1 29 26 45 o -0.5130000     1.148000      ?             ?      
1 1 1 29 26 46 o 0.1856000      1.074000      ?             ?      
1 1 1 29 26 47 o 0.4263000E-01  1.029000      ?             ?      
1 1 1 29 26 48 o -1.988000      1.025000      ?             ?      
1 1 1 29 26 49 o 0.3663000      1.079000      ?             ?      
1 1 1 29 26 50 o -0.8880000E-01 1.110000      ?             ?      
1 1 1 29 26 51 o 1.388000       1.215000      ?             ?      
1 1 1 29 26 52 o 0.5211000      1.212000      ?             ?      
1 1 1 29 26 53 o -0.5626000     1.237000      ?             ?      
1 1 1 29 26 54 o 0.5081000      1.334000      ?             ?      
1 1 1 29 26 55 o -2.179000      1.481000      ?             ?      
1 1 1 29 26 56 o -0.7122000     1.758000      ?             ?      
1 1 1 29 26 57 o 1.978000       1.232000      ?             ?      
1 1 1 29 26 58 o 0.2727000      1.425000      ?             ?      
1 1 1 29 27 0  o 1.025000       1.273000      239.7399      -90.0  
1 1 1 29 27 1  o 7.456000       1.057000      325.6411      -3.3   
1 1 1 29 27 2  o 0.4053000E-01  0.9173000     152.4653      171.3  
1 1 1 29 27 3  o 2.058000       0.9417000     171.1358      -157.0 
1 1 1 29 27 4  o 7.582000       1.101000      357.4705      5.7    
1 1 1 29 27 5  o 2.831000       1.048000      226.2632      -72.1  
1 1 1 29 27 6  o 0.5768000      1.031000      266.0880      23.3   
1 1 1 29 27 7  o 6.838000       1.049000      306.1215      -28.3  
1 1 1 29 27 8  o 10.82000       1.098000      370.1890      -7.1   
1 1 1 29 27 9  o -1.041000      0.9981000     89.29442      50.7   
1 1 1 29 27 10 o 5.126000       1.127000      327.5621      -44.3  
1 1 1 29 27 11 o 0.9207000      1.172000      112.8855      -110.7 
1 1 1 29 27 12 o 0.6825000      1.213000      162.1358      -96.8  
1 1 1 29 27 13 o -1.337000      1.083000      106.8239      116.6  
1 1 1 29 27 14 o -0.1881000     1.039000      72.32639      -120.7 
1 1 1 29 27 15 o 7.554000       1.193000      291.7872      -98.5  
1 1 1 29 27 16 o 6.057000       1.319000      302.8115      -97.7  
1 1 1 29 27 17 o 0.5638000      1.469000      210.6503      -49.5  
1 1 1 29 27 18 o 2.067000       1.450000      196.1051      153.5  
1 1 1 29 27 19 o -1.247000      1.260000      28.10368      -175.6 
1 1 1 29 27 20 o 2.650000       1.256000      257.4416      -2.0   
1 1 1 29 27 21 o 5.409000       1.257000      280.7436      -95.1  
1 1 1 29 27 22 o -1.426000      1.342000      65.21202      -2.0   
1 1 1 29 27 23 o 1.295000       1.352000      94.91431      131.5  
1 1 1 29 27 24 o 4.309000       1.247000      244.4942      -68.6  
1 1 1 29 27 25 o 6.996000       1.222000      354.1401      -169.7 
1 1 1 29 27 26 o 0.2511000      1.171000      9.954556      -6.7   
1 1 1 29 27 27 o 1.309000       1.253000      173.3285      -121.1 
1 1 1 29 27 28 o 0.6784000      1.065000      102.4033      -83.4  
1 1 1 29 27 29 o 1.857000       1.079000      205.2354      -67.3  
1 1 1 29 27 30 o -0.6564000E-01 1.088000      170.0332      118.0  
1 1 1 29 27 31 o 1.476000       1.129000      70.99090      126.3  
1 1 1 29 27 32 o 2.428000       1.154000      214.5087      -2.5   
1 1 1 29 27 33 o 2.564000       1.269000      114.9657      -0.7   
1 1 1 29 27 34 o 0.4566000      1.273000      82.45025      117.7  
1 1 1 29 27 35 o -0.7767000     1.460000      104.1816      24.1   
1 1 1 29 27 36 o 0.2580000      1.350000      ?             ?      
1 1 1 29 27 37 o 1.263000       1.474000      ?             ?      
1 1 1 29 27 38 o -1.547000      1.253000      ?             ?      
1 1 1 29 27 39 o 1.139000       1.090000      ?             ?      
1 1 1 29 27 40 o 3.749000       1.078000      ?             ?      
1 1 1 29 27 41 o 0.3686000      1.050000      ?             ?      
1 1 1 29 27 42 o 1.919000       1.123000      ?             ?      
1 1 1 29 27 43 o 0.5695000      1.099000      ?             ?      
1 1 1 29 27 44 o -0.5221000     1.170000      ?             ?      
1 1 1 29 27 45 o 0.1020000      1.134000      ?             ?      
1 1 1 29 27 46 o 0.5444000      1.133000      ?             ?      
1 1 1 29 27 47 o 0.3644000      1.021000      ?             ?      
1 1 1 29 27 48 o 0.5348000      1.034000      ?             ?      
1 1 1 29 27 49 o 0.1800000      1.131000      ?             ?      
1 1 1 29 27 50 o -0.2537000     1.187000      ?             ?      
1 1 1 29 27 51 o -1.136000      1.217000      ?             ?      
1 1 1 29 27 52 o -1.303000      1.126000      ?             ?      
1 1 1 29 27 53 o -0.7989000     1.192000      ?             ?      
1 1 1 29 27 54 o 2.309000       1.363000      ?             ?      
1 1 1 29 27 55 o -0.2383000     1.311000      ?             ?      
1 1 1 29 27 56 o -1.328000      1.234000      ?             ?      
1 1 1 29 27 57 o -1.023000      1.303000      ?             ?      
1 1 1 29 27 58 o 0.1711000      1.497000      ?             ?      
1 1 1 29 28 0  o -0.8558000     1.264000      25.06136      -90.0  
1 1 1 29 28 1  o 0.5881000      0.9157000     242.6375      -103.0 
1 1 1 29 28 2  o 5.824000       0.9453000     359.3356      64.5   
1 1 1 29 28 3  o -0.4696000     0.9292000     81.71838      -153.9 
1 1 1 29 28 4  o 2.430000       1.019000      384.1780      27.9   
1 1 1 29 28 5  o 2.716000       1.029000      236.5771      99.7   
1 1 1 29 28 6  o 0.6180000      1.023000      150.5695      55.7   
1 1 1 29 28 7  o 1.823000       1.041000      290.1599      168.4  
1 1 1 29 28 8  o 10.38000       1.128000      405.4220      37.7   
1 1 1 29 28 9  o 1.315000       1.226000      109.0688      3.4    
1 1 1 29 28 10 o -1.258000      1.164000      238.5273      129.5  
1 1 1 29 28 11 o 1.547000       1.203000      96.85731      -63.4  
1 1 1 29 28 12 f 1.459000       1.096000      116.0929      -139.1 
1 1 1 29 28 13 o 0.4441000      1.039000      104.2561      -25.5  
1 1 1 29 28 14 o 5.602000       1.187000      261.1190      12.4   
1 1 1 29 28 15 o 0.7786000      1.167000      219.7995      -0.2   
1 1 1 29 28 16 o 2.485000       1.281000      111.7356      127.9  
1 1 1 29 28 17 o 1.779000       1.451000      184.0699      167.5  
1 1 1 29 28 18 o 0.9390000E-01  1.488000      32.41333      11.9   
1 1 1 29 28 19 o 5.733000       1.288000      287.2501      105.2  
1 1 1 29 28 20 o 5.784000       1.263000      255.3773      7.9    
1 1 1 29 28 21 o 2.027000       1.245000      111.4189      -43.5  
1 1 1 29 28 22 o 3.675000       1.270000      274.3177      -124.8 
1 1 1 29 28 23 o 6.770000       1.298000      317.3659      68.4   
1 1 1 29 28 24 o 1.387000       1.248000      59.77823      -43.9  
1 1 1 29 28 25 o 3.215000       1.392000      241.1883      -52.6  
1 1 1 29 28 26 o 7.272000       1.428000      288.8639      -77.0  
1 1 1 29 28 27 o 4.748000       1.231000      288.9133      54.3   
1 1 1 29 28 28 o 2.635000       1.283000      234.1867      -34.1  
1 1 1 29 28 29 o 0.8655000      1.081000      255.1211      -131.7 
1 1 1 29 28 30 o 0.7462000      1.076000      67.00417      90.2   
1 1 1 29 28 31 o -0.3576000     1.080000      150.5604      160.7  
1 1 1 29 28 32 o 3.818000       1.109000      190.5604      38.0   
1 1 1 29 28 33 o 1.947000       1.250000      163.6745      -83.8  
1 1 1 29 28 34 o -0.3588000     1.362000      148.5371      -31.5  
1 1 1 29 28 35 o 0.9586000      1.607000      ?             ?      
1 1 1 29 28 36 o 1.418000       1.363000      ?             ?      
1 1 1 29 28 37 o 0.3473000      1.453000      ?             ?      
1 1 1 29 28 38 o -0.4375000     1.297000      ?             ?      
1 1 1 29 28 39 o -0.7055000     1.141000      ?             ?      
1 1 1 29 28 40 o 3.359000       1.055000      ?             ?      
1 1 1 29 28 41 o -0.4104000     1.032000      ?             ?      
1 1 1 29 28 42 o 0.9016000      1.032000      ?             ?      
1 1 1 29 28 43 o 0.7937000E-01  1.106000      ?             ?      
1 1 1 29 28 44 o -0.1082000E-01 1.087000      ?             ?      
1 1 1 29 28 45 o 2.080000       1.219000      ?             ?      
1 1 1 29 28 46 o -0.4786000     1.123000      ?             ?      
1 1 1 29 28 47 o -0.3524000     1.131000      ?             ?      
1 1 1 29 28 48 o 0.7480000      1.149000      ?             ?      
1 1 1 29 28 49 o 4.411000       1.141000      ?             ?      
1 1 1 29 28 50 o 0.8177000E-03  1.067000      ?             ?      
1 1 1 29 28 51 o 0.3566000      1.073000      ?             ?      
1 1 1 29 28 52 f 1.161000       1.131000      ?             ?      
1 1 1 29 28 53 o 0.6782000      1.298000      ?             ?      
1 1 1 29 28 54 o 0.1046000      1.465000      ?             ?      
1 1 1 29 28 55 o -0.6310000     1.346000      ?             ?      
1 1 1 29 28 56 o -1.298000      1.295000      ?             ?      
1 1 1 29 28 57 o 1.363000       1.409000      ?             ?      
1 1 1 29 29 0  o 5.770000       1.284000      460.9424      90.0   
1 1 1 29 29 1  o 14.82000       0.9777000     553.6016      43.0   
1 1 1 29 29 2  o 3.054000       0.9045000     355.2398      -159.1 
1 1 1 29 29 3  o 1.646000       0.8704000     165.0969      126.6  
1 1 1 29 29 4  o 5.715000       1.000000      293.5246      -38.2  
1 1 1 29 29 5  o 2.185000       0.9989000     215.2150      -151.7 
1 1 1 29 29 6  o 1.421000       1.002000      152.4961      -149.6 
1 1 1 29 29 7  o 2.596000       1.034000      184.0869      118.3  
1 1 1 29 29 8  o 2.727000       1.254000      282.9153      -58.5  
1 1 1 29 29 9  o 7.604000       1.446000      350.7278      135.8  
1 1 1 29 29 10 o 3.988000       1.414000      206.2254      -60.4  
1 1 1 29 29 11 o -0.7519000E-01 1.214000      150.2818      105.4  
1 1 1 29 29 12 o 1.435000       1.058000      202.1334      77.0   
1 1 1 29 29 13 o 2.773000       1.070000      220.9329      137.8  
1 1 1 29 29 14 o 0.8084000      1.081000      71.94447      98.0   
1 1 1 29 29 15 o 4.644000       1.185000      213.2512      -149.7 
1 1 1 29 29 16 o -0.1195000     1.283000      73.98745      107.0  
1 1 1 29 29 17 o 2.379000       1.471000      77.12405      -81.7  
1 1 1 29 29 18 o 3.064000       1.298000      204.8587      -163.9 
1 1 1 29 29 19 o 3.196000       1.274000      282.9487      63.9   
1 1 1 29 29 20 o -0.4389000     1.248000      118.8028      40.1   
1 1 1 29 29 21 o 4.913000       1.258000      297.7886      -127.8 
1 1 1 29 29 22 o 1.365000       1.236000      151.0736      111.1  
1 1 1 29 29 23 o 1.146000       1.253000      244.5848      -112.9 
1 1 1 29 29 24 o 5.905000       1.293000      299.8436      170.9  
1 1 1 29 29 25 o -0.2959000     1.291000      60.82517      -167.5 
1 1 1 29 29 26 o 5.123000       1.336000      311.9946      26.7   
1 1 1 29 29 27 o 2.069000       1.266000      127.5598      -99.2  
1 1 1 29 29 28 o -1.045000      1.385000      102.4867      -70.7  
1 1 1 29 29 29 o 3.166000       1.421000      283.5831      -131.6 
1 1 1 29 29 30 o 1.481000       1.078000      133.1185      -156.0 
1 1 1 29 29 31 o 0.6525000      1.055000      77.57588      36.0   
1 1 1 29 29 32 o 1.845000       1.089000      170.6464      11.6   
1 1 1 29 29 33 o 1.864000       1.249000      233.9442      158.5  
1 1 1 29 29 34 o 2.968000       1.334000      ?             ?      
1 1 1 29 29 35 o 4.079000       1.355000      ?             ?      
1 1 1 29 29 36 o 0.7492000      1.579000      ?             ?      
1 1 1 29 29 37 o -0.3909000     1.457000      ?             ?      
1 1 1 29 29 38 o 3.925000       1.190000      ?             ?      
1 1 1 29 29 39 o 1.381000       1.083000      ?             ?      
1 1 1 29 29 40 o -2.231000      1.032000      ?             ?      
1 1 1 29 29 41 o -1.211000      1.087000      ?             ?      
1 1 1 29 29 42 o 0.1083000      1.092000      ?             ?      
1 1 1 29 29 43 o 0.4039000      1.023000      ?             ?      
1 1 1 29 29 44 o 1.522000       1.084000      ?             ?      
1 1 1 29 29 45 o 0.2455000E-03  1.225000      ?             ?      
1 1 1 29 29 46 o -0.5595000     1.123000      ?             ?      
1 1 1 29 29 47 o 0.3465000      1.218000      ?             ?      
1 1 1 29 29 48 o -0.4981000     1.038000      ?             ?      
1 1 1 29 29 49 o 0.4660000      1.034000      ?             ?      
1 1 1 29 29 50 o 0.8426000      1.052000      ?             ?      
1 1 1 29 29 51 o 0.8132000      1.070000      ?             ?      
1 1 1 29 29 52 o 0.9696000      1.127000      ?             ?      
1 1 1 29 29 53 o -3.280000      1.854000      ?             ?      
1 1 1 29 29 54 o 0.5864000      1.536000      ?             ?      
1 1 1 29 29 55 o -1.396000      1.496000      ?             ?      
1 1 1 29 29 56 o 0.9516000      1.193000      ?             ?      
1 1 1 29 29 57 o -0.2644000     1.486000      ?             ?      
1 1 1 29 30 0  o 1.128000       1.207000      46.99944      90.0   
1 1 1 29 30 1  o 0.8038000      0.8637000     290.8294      -112.9 
1 1 1 29 30 2  o 4.561000       0.8739000     327.5736      58.0   
1 1 1 29 30 3  o 1.292000       0.8590000     232.7146      -47.4  
1 1 1 29 30 4  o 3.409000       1.008000      363.2299      -26.9  
1 1 1 29 30 5  o 1.868000       0.9834000     207.2049      39.3   
1 1 1 29 30 6  o 3.313000       1.034000      301.2847      -57.2  
1 1 1 29 30 7  o -1.046000      1.056000      142.9256      88.8   
1 1 1 29 30 8  o -0.4522000     1.344000      110.8030      35.1   
1 1 1 29 30 9  o 1.930000       1.426000      58.75516      -103.2 
1 1 1 29 30 10 o 2.611000       1.480000      177.5152      -163.5 
1 1 1 29 30 11 o 2.285000       1.224000      206.9327      -41.4  
1 1 1 29 30 12 o 13.70000       1.175000      484.0259      -151.6 
1 1 1 29 30 13 o 1.478000       1.093000      155.6631      -44.3  
1 1 1 29 30 14 o 2.417000       1.088000      153.6926      -50.7  
1 1 1 29 30 15 o 2.608000       1.309000      122.1589      -149.9 
1 1 1 29 30 16 o 2.099000       1.310000      152.2351      -122.3 
1 1 1 29 30 17 o 3.712000       1.519000      218.2573      -153.7 
1 1 1 29 30 18 o 6.371000       1.349000      324.7145      163.5  
1 1 1 29 30 19 o 6.319000       1.334000      241.6051      166.1  
1 1 1 29 30 20 o 3.488000       1.294000      208.5288      -60.4  
1 1 1 29 30 21 o -0.5556000     1.273000      125.7351      -122.9 
1 1 1 29 30 22 o 2.104000       1.290000      239.9082      -80.0  
1 1 1 29 30 23 o -0.4145000     1.247000      172.5636      55.6   
1 1 1 29 30 24 o 0.6263000      1.266000      96.30622      29.1   
1 1 1 29 30 25 o 3.455000       1.302000      132.8202      -42.8  
1 1 1 29 30 26 o 3.906000       1.308000      216.7707      12.1   
1 1 1 29 30 27 o 0.2346000      1.299000      154.8277      126.0  
1 1 1 29 30 28 o 6.965000       1.312000      395.4207      -36.0  
1 1 1 29 30 29 o -0.9029000E-01 1.262000      194.6023      -35.9  
1 1 1 29 30 30 o -0.3663000     1.256000      100.1875      -44.4  
1 1 1 29 30 31 o 0.3421000E-01  1.098000      110.0669      -175.4 
1 1 1 29 30 32 o 1.253000       1.116000      177.5912      -19.9  
1 1 1 29 30 33 o 1.480000       1.219000      ?             ?      
1 1 1 29 30 34 o -2.338000      1.304000      ?             ?      
1 1 1 29 30 35 o 8.158000       1.427000      ?             ?      
1 1 1 29 30 36 o 1.108000       1.542000      ?             ?      
1 1 1 29 30 37 o -0.8375000E-01 1.200000      ?             ?      
1 1 1 29 30 38 o 4.554000       1.205000      ?             ?      
1 1 1 29 30 39 o -0.1533000     1.048000      ?             ?      
1 1 1 29 30 40 o 3.364000       1.073000      ?             ?      
1 1 1 29 30 41 o 1.665000       1.063000      ?             ?      
1 1 1 29 30 42 o -0.4552000     1.040000      ?             ?      
1 1 1 29 30 43 o -1.104000      1.146000      ?             ?      
1 1 1 29 30 44 o 0.7230000      1.293000      ?             ?      
1 1 1 29 30 45 o 1.076000       1.199000      ?             ?      
1 1 1 29 30 46 o -1.796000      1.213000      ?             ?      
1 1 1 29 30 47 o 0.5004000      1.148000      ?             ?      
1 1 1 29 30 48 o 0.5638000      1.151000      ?             ?      
1 1 1 29 30 49 o -0.4820000     1.020000      ?             ?      
1 1 1 29 30 50 o 1.543000       1.083000      ?             ?      
1 1 1 29 30 51 o 0.1088000      1.136000      ?             ?      
1 1 1 29 30 52 o -0.4312000     1.324000      ?             ?      
1 1 1 29 30 53 o 0.4359000      1.484000      ?             ?      
1 1 1 29 30 54 o -0.9453000     1.173000      ?             ?      
1 1 1 29 30 55 o -0.3472000     1.178000      ?             ?      
1 1 1 29 30 56 o 0.8603000      1.196000      ?             ?      
1 1 1 29 31 0  o 8.667000       1.318000      522.0472      90.0   
1 1 1 29 31 1  o 1.496000       0.8638000     250.2091      79.1   
1 1 1 29 31 2  o 2.403000       0.8768000     290.8492      57.9   
1 1 1 29 31 3  o 0.7302000      0.8725000     195.4242      138.3  
1 1 1 29 31 4  o 1.974000       1.021000      259.3308      3.3    
1 1 1 29 31 5  o 1.311000       1.008000      176.5022      138.1  
1 1 1 29 31 6  o 8.822000       1.105000      411.4776      167.4  
1 1 1 29 31 7  o 5.729000       1.379000      231.3531      69.6   
1 1 1 29 31 8  o 1.137000       1.369000      65.37919      -56.5  
1 1 1 29 31 9  o -1.462000      1.440000      140.9319      -27.3  
1 1 1 29 31 10 o 1.508000       1.292000      214.4273      -92.6  
1 1 1 29 31 11 o 1.453000       1.174000      130.7948      59.2   
1 1 1 29 31 12 o 4.165000       1.217000      302.7184      93.1   
1 1 1 29 31 13 o 4.955000       1.164000      299.2627      -71.0  
1 1 1 29 31 14 o 4.063000       1.123000      213.8211      52.3   
1 1 1 29 31 15 o 1.089000       1.329000      112.7158      -32.3  
1 1 1 29 31 16 o 6.644000       1.399000      257.7498      -26.9  
1 1 1 29 31 17 o 8.235000       1.421000      318.0363      -57.2  
1 1 1 29 31 18 o 3.309000       1.362000      342.9120      -67.3  
1 1 1 29 31 19 o 3.463000       1.357000      206.2655      57.7   
1 1 1 29 31 20 o -1.980000      1.304000      82.07886      144.6  
1 1 1 29 31 21 o 0.2778000      1.319000      129.7258      -166.5 
1 1 1 29 31 22 o -2.361000      1.291000      30.05316      -66.9  
1 1 1 29 31 23 o 0.9921000      1.299000      127.9888      -54.5  
1 1 1 29 31 24 o 9.406000       1.368000      469.3995      131.1  
1 1 1 29 31 25 o 1.038000       1.299000      228.5125      -32.5  
1 1 1 29 31 26 o 2.291000       1.310000      117.4525      49.4   
1 1 1 29 31 27 o 2.974000       1.302000      118.0310      -177.7 
1 1 1 29 31 28 o -1.608000      1.246000      117.9584      -14.6  
1 1 1 29 31 29 o -0.2974000     1.231000      61.15429      -61.0  
1 1 1 29 31 30 o 1.300000       1.217000      30.86623      -105.2 
1 1 1 29 31 31 o 2.080000       1.303000      177.2340      57.5   
1 1 1 29 31 32 o 0.6368000      1.099000      ?             ?      
1 1 1 29 31 33 o 1.550000       1.237000      ?             ?      
1 1 1 29 31 34 o -0.6300000     1.262000      ?             ?      
1 1 1 29 31 35 o 2.788000       1.433000      ?             ?      
1 1 1 29 31 36 o 0.1874000      1.483000      ?             ?      
1 1 1 29 31 37 o 5.711000       1.236000      ?             ?      
1 1 1 29 31 38 o 1.322000       1.128000      ?             ?      
1 1 1 29 31 39 o 1.463000       1.106000      ?             ?      
1 1 1 29 31 40 o 0.5186000      1.151000      ?             ?      
1 1 1 29 31 41 o 0.7513000      1.156000      ?             ?      
1 1 1 29 31 42 o 1.341000       1.087000      ?             ?      
1 1 1 29 31 43 o 2.538000       1.077000      ?             ?      
1 1 1 29 31 44 o 1.003000       1.035000      ?             ?      
1 1 1 29 31 45 o 0.9920000      1.124000      ?             ?      
1 1 1 29 31 46 o 3.067000       1.107000      ?             ?      
1 1 1 29 31 47 o -2.250000      1.393000      ?             ?      
1 1 1 29 31 48 o 0.6702000E-01  1.250000      ?             ?      
1 1 1 29 31 49 o -1.294000      1.342000      ?             ?      
1 1 1 29 31 50 o -0.2988000     1.321000      ?             ?      
1 1 1 29 31 51 o -0.8840000     1.407000      ?             ?      
1 1 1 29 31 52 o 1.030000       1.299000      ?             ?      
1 1 1 29 31 53 o 0.1074000      1.231000      ?             ?      
1 1 1 29 31 54 o -1.747000      1.159000      ?             ?      
1 1 1 29 31 55 o 1.022000       1.179000      ?             ?      
1 1 1 29 32 0  o 0.5964000      1.223000      42.44668      -90.0  
1 1 1 29 32 1  o 3.147000       0.8726000     350.4116      165.9  
1 1 1 29 32 2  f 0.2701000      0.8740000     159.9352      -170.8 
1 1 1 29 32 3  o 1.781000       0.8882000     151.4086      67.5   
1 1 1 29 32 4  o 10.20000       1.344000      525.1176      -72.0  
1 1 1 29 32 5  o 1.248000       1.049000      305.3066      135.4  
1 1 1 29 32 6  o 0.3511000      1.212000      86.61707      -168.3 
1 1 1 29 32 7  o 3.238000       1.374000      127.3281      -126.8 
1 1 1 29 32 8  o 1.626000       1.423000      117.7846      -62.4  
1 1 1 29 32 9  o 2.396000       1.488000      261.8463      -14.8  
1 1 1 29 32 10 o -1.983000      1.201000      91.09437      -45.7  
1 1 1 29 32 11 o 5.672000       1.243000      301.5515      -134.2 
1 1 1 29 32 12 o 2.492000       1.194000      251.8865      -169.5 
1 1 1 29 32 13 o -1.569000      1.210000      121.4795      32.5   
1 1 1 29 32 14 o -0.2842000     1.324000      103.2655      -8.4   
1 1 1 29 32 15 o -1.421000      1.334000      41.10778      124.4  
1 1 1 29 32 16 o 2.658000       1.418000      271.8176      33.4   
1 1 1 29 32 17 o 0.4388000      1.383000      145.4917      46.0   
1 1 1 29 32 18 o 18.96000       1.601000      556.7972      -153.8 
1 1 1 29 32 19 o 4.297000       1.374000      194.6734      -79.6  
1 1 1 29 32 20 o 0.2242000      1.337000      62.48421      -173.2 
1 1 1 29 32 21 f 0.9957000      1.334000      214.1718      159.1  
1 1 1 29 32 22 o 0.8944000      1.327000      172.1717      78.6   
1 1 1 29 32 23 o 1.351000       1.331000      115.4576      -73.1  
1 1 1 29 32 24 o 0.6646000      1.328000      94.01165      16.7   
1 1 1 29 32 25 o 2.829000       1.363000      204.5858      -59.6  
1 1 1 29 32 26 o 3.677000       1.312000      274.8545      31.5   
1 1 1 29 32 27 o 6.976000       1.352000      292.1003      173.3  
1 1 1 29 32 28 o 1.446000       1.267000      199.4052      9.9    
1 1 1 29 32 29 o 0.6355000      1.239000      180.1318      -104.5 
1 1 1 29 32 30 o 0.6930000      1.212000      ?             ?      
1 1 1 29 32 31 o 1.390000       1.210000      ?             ?      
1 1 1 29 32 32 o -0.9214000     1.222000      ?             ?      
1 1 1 29 32 33 o 0.5624000      1.264000      ?             ?      
1 1 1 29 32 34 o 0.8504000      1.269000      ?             ?      
1 1 1 29 32 35 o 4.741000       1.351000      ?             ?      
1 1 1 29 32 36 o 5.164000       1.465000      ?             ?      
1 1 1 29 32 37 o -0.9082000     1.343000      ?             ?      
1 1 1 29 32 38 o 0.9905000      1.348000      ?             ?      
1 1 1 29 32 39 o 0.6711000      1.368000      ?             ?      
1 1 1 29 32 40 o -0.9809000E-01 1.132000      ?             ?      
1 1 1 29 32 41 o -0.2188000     1.001000      ?             ?      
1 1 1 29 32 42 o -0.7118000E-01 1.073000      ?             ?      
1 1 1 29 32 43 o -1.513000      1.000000      ?             ?      
1 1 1 29 32 44 o -0.2015000     0.9974000     ?             ?      
1 1 1 29 32 45 o 1.224000       1.010000      ?             ?      
1 1 1 29 32 46 o -0.1758000     1.096000      ?             ?      
1 1 1 29 32 47 o -0.6044000     1.275000      ?             ?      
1 1 1 29 32 48 o 0.1689000      2.153000      ?             ?      
1 1 1 29 32 49 o 1.159000       1.199000      ?             ?      
1 1 1 29 32 50 o -0.4889000     1.160000      ?             ?      
1 1 1 29 32 51 o 0.2261000E-01  1.166000      ?             ?      
1 1 1 29 32 52 o 2.241000       1.271000      ?             ?      
1 1 1 29 32 53 o -1.133000      1.131000      ?             ?      
1 1 1 29 32 54 o 1.253000       1.118000      ?             ?      
1 1 1 29 33 0  o 0.6799000E-01  1.194000      64.82488      90.0   
1 1 1 29 33 1  o -0.8849000     0.8442000     173.8027      162.4  
1 1 1 29 33 2  o 1.457000       0.8691000     207.8223      -79.5  
1 1 1 29 33 3  o 0.5968000      0.8686000     121.5789      -33.6  
1 1 1 29 33 4  o 0.7916000      0.9076000     221.4892      119.2  
1 1 1 29 33 5  o -1.699000      1.179000      73.68632      -151.8 
1 1 1 29 33 6  o 0.5439000      1.380000      235.3441      -140.1 
1 1 1 29 33 7  o 3.736000       1.433000      341.2644      36.2   
1 1 1 29 33 8  o 3.010000       1.516000      336.6637      -74.3  
1 1 1 29 33 9  f 5.907000       1.268000      373.2158      -59.1  
1 1 1 29 33 10 o 3.543000       1.258000      143.6048      -159.3 
1 1 1 29 33 11 o 1.342000       1.188000      68.95592      129.9  
1 1 1 29 33 12 o 0.5328000      1.225000      107.9446      59.6   
1 1 1 29 33 13 o 5.702000       1.285000      314.7045      -81.5  
1 1 1 29 33 14 o -1.410000      1.625000      139.5548      142.7  
1 1 1 29 33 15 o -0.5225000     1.387000      95.81067      3.1    
1 1 1 29 33 16 o 7.384000       1.361000      332.6049      -3.8   
1 1 1 29 33 17 o 8.467000       1.443000      242.2986      -35.6  
1 1 1 29 33 18 o 3.431000       1.436000      190.8532      44.2   
1 1 1 29 33 19 o 2.569000       1.395000      218.0811      -97.4  
1 1 1 29 33 20 o -0.4131000     1.342000      69.38618      -115.0 
1 1 1 29 33 21 o -0.1200000     1.356000      151.2752      -134.1 
1 1 1 29 33 22 o 0.9883000      1.360000      137.8975      -39.7  
1 1 1 29 33 23 o 2.329000       1.360000      248.4598      116.7  
1 1 1 29 33 24 o 1.581000       1.353000      159.1620      64.4   
1 1 1 29 33 25 o 0.7156000      1.333000      173.4140      -83.6  
1 1 1 29 33 26 o 3.159000       1.316000      149.9864      -28.9  
1 1 1 29 33 27 o -0.8647000     1.276000      44.58713      157.0  
1 1 1 29 33 28 o 1.759000       1.255000      191.9373      -15.9  
1 1 1 29 33 29 o 0.1826000      1.258000      ?             ?      
1 1 1 29 33 30 o 2.094000       1.262000      ?             ?      
1 1 1 29 33 31 o 2.959000       1.254000      ?             ?      
1 1 1 29 33 32 o -2.664000      1.368000      ?             ?      
1 1 1 29 33 33 o 0.6701000      1.417000      ?             ?      
1 1 1 29 33 34 o 0.7088000      1.293000      ?             ?      
1 1 1 29 33 35 o -0.2589000     1.204000      ?             ?      
1 1 1 29 33 36 o -1.306000      2.165000      ?             ?      
1 1 1 29 33 37 o -0.4951000     1.401000      ?             ?      
1 1 1 29 33 38 o -3.075000      1.427000      ?             ?      
1 1 1 29 33 39 o 0.3073000      1.079000      ?             ?      
1 1 1 29 33 40 o -0.5092000     0.9948000     ?             ?      
1 1 1 29 33 41 o -0.2041000     1.017000      ?             ?      
1 1 1 29 33 42 o 0.2720000      1.025000      ?             ?      
1 1 1 29 33 43 o 0.2725000      0.9999000     ?             ?      
1 1 1 29 33 44 o 0.1128000      1.004000      ?             ?      
1 1 1 29 33 45 o 0.1976000      1.093000      ?             ?      
1 1 1 29 33 46 o 0.8873000      1.235000      ?             ?      
1 1 1 29 33 47 o 0.1146000      1.102000      ?             ?      
1 1 1 29 33 48 o 0.4716000      1.227000      ?             ?      
1 1 1 29 33 49 o 1.237000       1.195000      ?             ?      
1 1 1 29 33 50 o -1.116000      1.397000      ?             ?      
1 1 1 29 33 51 o -0.5121000     1.280000      ?             ?      
1 1 1 29 33 52 o -0.9989000     1.179000      ?             ?      
1 1 1 29 33 53 o -0.6699000     1.114000      ?             ?      
1 1 1 29 33 54 o 1.408000       1.624000      ?             ?      
1 1 1 29 34 0  o -0.1113000     1.229000      43.18593      90.0   
1 1 1 29 34 1  o 1.654000       0.8795000     284.9171      118.8  
1 1 1 29 34 2  o 2.130000       0.8821000     194.1021      -65.2  
1 1 1 29 34 3  o -0.3852000     0.8923000     159.4737      23.7   
1 1 1 29 34 4  o 1.770000       0.9382000     185.5272      -171.7 
1 1 1 29 34 5  o 0.7877000      1.364000      211.4253      125.1  
1 1 1 29 34 6  f 6.881000       1.509000      441.4031      2.1    
1 1 1 29 34 7  o 3.009000       1.541000      291.7002      -33.9  
1 1 1 29 34 8  o 1.779000       1.369000      121.0679      -17.4  
1 1 1 29 34 9  o 3.497000       1.285000      305.7392      -12.5  
1 1 1 29 34 10 o 1.805000       1.249000      170.0036      -122.2 
1 1 1 29 34 11 o 1.269000       1.236000      140.0251      79.8   
1 1 1 29 34 12 o 2.316000       1.283000      299.7211      -52.8  
1 1 1 29 34 13 o 0.9403000      1.451000      106.4714      -4.4   
1 1 1 29 34 14 o 3.550000       1.676000      97.34647      11.2   
1 1 1 29 34 15 o -1.193000      1.690000      81.60310      -144.2 
1 1 1 29 34 16 o 1.654000       1.260000      143.1501      97.3   
1 1 1 29 34 17 o 1.400000       1.406000      260.8037      -162.4 
1 1 1 29 34 18 o 1.250000       1.389000      178.1005      -93.1  
1 1 1 29 34 19 o -2.465000      1.365000      35.21331      -62.0  
1 1 1 29 34 20 o 1.630000       1.379000      83.29426      -14.3  
1 1 1 29 34 21 o 4.084000       1.389000      310.2635      50.8   
1 1 1 29 34 22 o 2.231000       1.380000      186.2532      -131.8 
1 1 1 29 34 23 o 0.4780000      1.369000      118.9205      -116.6 
1 1 1 29 34 24 o 3.157000       1.345000      124.3867      -3.2   
1 1 1 29 34 25 o 1.365000       1.335000      194.2143      95.9   
1 1 1 29 34 26 o 0.5513000E-01  1.314000      139.6686      45.7   
1 1 1 29 34 27 o -0.4337000     1.283000      ?             ?      
1 1 1 29 34 28 o -0.3022000     1.279000      ?             ?      
1 1 1 29 34 29 o 1.187000       1.275000      ?             ?      
1 1 1 29 34 30 o 1.378000       1.257000      ?             ?      
1 1 1 29 34 31 o -1.825000      1.410000      ?             ?      
1 1 1 29 34 32 o 1.686000       1.395000      ?             ?      
1 1 1 29 34 33 o -0.1106000E-01 1.240000      ?             ?      
1 1 1 29 34 34 o -0.8306000     1.629000      ?             ?      
1 1 1 29 34 35 o -0.5163000     2.171000      ?             ?      
1 1 1 29 34 36 o -0.8225000     1.244000      ?             ?      
1 1 1 29 34 37 o 1.482000       1.178000      ?             ?      
1 1 1 29 34 38 o -1.655000      1.073000      ?             ?      
1 1 1 29 34 39 o 2.985000       1.084000      ?             ?      
1 1 1 29 34 40 o -0.7191000     1.151000      ?             ?      
1 1 1 29 34 41 o 0.7161000E-01  1.044000      ?             ?      
1 1 1 29 34 42 o -0.1611000     0.9909000     ?             ?      
1 1 1 29 34 43 o -0.8880000     1.079000      ?             ?      
1 1 1 29 34 44 o -0.3277000     1.227000      ?             ?      
1 1 1 29 34 45 o -0.4614000     1.053000      ?             ?      
1 1 1 29 34 46 o 0.1473000E-01  1.019000      ?             ?      
1 1 1 29 34 47 o 1.451000       1.101000      ?             ?      
1 1 1 29 34 48 o -1.078000      1.095000      ?             ?      
1 1 1 29 34 49 o -1.217000      1.356000      ?             ?      
1 1 1 29 34 50 o 0.3902000      1.392000      ?             ?      
1 1 1 29 34 51 o 0.8241000      1.383000      ?             ?      
1 1 1 29 34 52 o -1.188000      1.135000      ?             ?      
1 1 1 29 34 53 o -0.8241000     1.448000      ?             ?      
1 1 1 29 35 0  o 0.4424000      1.258000      105.9025      -90.0  
1 1 1 29 35 1  o 0.1459000      0.8976000     169.4618      -114.6 
1 1 1 29 35 2  o 0.6180000      0.8942000     80.92809      -31.0  
1 1 1 29 35 3  o 1.100000       0.9312000     122.3530      118.3  
1 1 1 29 35 4  o 7.635000       1.154000      448.9096      147.9  
1 1 1 29 35 5  o 1.762000       1.434000      240.1780      15.4   
1 1 1 29 35 6  o 0.1351000E-01  1.496000      140.3879      -34.9  
1 1 1 29 35 7  o 2.434000       1.566000      239.4251      57.8   
1 1 1 29 35 8  o 1.759000       1.293000      288.9153      -59.7  
1 1 1 29 35 9  o -1.095000      1.259000      76.93907      -178.7 
1 1 1 29 35 10 o 4.249000       1.277000      348.8280      93.3   
1 1 1 29 35 11 o 0.8058000      1.291000      181.1027      80.0   
1 1 1 29 35 12 o -1.052000      1.283000      137.8036      26.3   
1 1 1 29 35 13 o 1.925000       1.465000      181.6532      -42.1  
1 1 1 29 35 14 o 2.051000       1.706000      76.87446      -71.1  
1 1 1 29 35 15 o -0.3840000     1.460000      220.2717      -16.0  
1 1 1 29 35 16 o 0.8606000      1.427000      224.4915      -20.4  
1 1 1 29 35 17 o 2.239000       1.421000      160.5751      123.8  
1 1 1 29 35 18 o 0.4280000      1.386000      43.12739      -73.3  
1 1 1 29 35 19 o -0.2108000     1.387000      65.38245      61.8   
1 1 1 29 35 20 o 1.185000       1.398000      200.4222      -41.4  
1 1 1 29 35 21 o 0.4698000      1.386000      189.2882      -151.2 
1 1 1 29 35 22 o -0.4612000     1.391000      101.4760      59.6   
1 1 1 29 35 23 o -0.7690000     1.354000      105.6845      -116.6 
1 1 1 29 35 24 o 2.377000       1.359000      194.5973      -93.6  
1 1 1 29 35 25 o -1.378000      1.329000      48.23273      -43.7  
1 1 1 29 35 26 o -1.660000      1.318000      ?             ?      
1 1 1 29 35 27 o 1.192000       1.303000      ?             ?      
1 1 1 29 35 28 o 0.5503000      1.279000      ?             ?      
1 1 1 29 35 29 o -2.930000      1.268000      ?             ?      
1 1 1 29 35 30 o -0.4486000     1.249000      ?             ?      
1 1 1 29 35 31 o -1.080000      1.396000      ?             ?      
1 1 1 29 35 32 o -1.537000      1.429000      ?             ?      
1 1 1 29 35 33 f -1.046000      1.330000      ?             ?      
1 1 1 29 35 34 o -0.4816000     1.641000      ?             ?      
1 1 1 29 35 35 o 3.244000       2.085000      ?             ?      
1 1 1 29 35 36 o 0.6947000      1.628000      ?             ?      
1 1 1 29 35 37 o 2.520000       1.156000      ?             ?      
1 1 1 29 35 38 o 0.2144000      1.058000      ?             ?      
1 1 1 29 35 39 o -0.4377000     1.050000      ?             ?      
1 1 1 29 35 40 o -0.7804000     1.051000      ?             ?      
1 1 1 29 35 41 o -0.2178000     1.068000      ?             ?      
1 1 1 29 35 42 o 1.050000       1.115000      ?             ?      
1 1 1 29 35 43 o -0.1484000     1.041000      ?             ?      
1 1 1 29 35 44 o -0.7146000     1.049000      ?             ?      
1 1 1 29 35 45 o 0.6309000      1.011000      ?             ?      
1 1 1 29 35 46 o -1.256000      1.021000      ?             ?      
1 1 1 29 35 47 o 0.3792000      1.067000      ?             ?      
1 1 1 29 35 48 o -0.6115000E-04 1.136000      ?             ?      
1 1 1 29 35 49 o 0.1800000      1.559000      ?             ?      
1 1 1 29 35 50 o -0.8627000     1.486000      ?             ?      
1 1 1 29 35 51 o -0.7059000     1.334000      ?             ?      
1 1 1 29 35 52 o -1.939000      1.416000      ?             ?      
1 1 1 29 36 0  o 1.004000       1.275000      133.7803      90.0   
1 1 1 29 36 1  o 0.8644000      0.9049000     15.47406      -159.6 
1 1 1 29 36 2  o 2.418000       0.9330000     258.0398      -33.8  
1 1 1 29 36 3  o 3.110000       1.022000      272.5793      167.4  
1 1 1 29 36 4  o 0.7300000E-01  1.029000      127.6947      142.9  
1 1 1 29 36 5  o -2.354000      1.447000      76.49179      119.0  
1 1 1 29 36 6  o 3.791000       1.574000      415.5237      84.9   
1 1 1 29 36 7  o -0.1797000     1.288000      205.1676      16.3   
1 1 1 29 36 8  o 0.7447000      1.271000      220.2405      -103.2 
1 1 1 29 36 9  o 0.8773000      1.242000      127.4291      174.3  
1 1 1 29 36 10 o 5.074000       1.289000      310.8322      -154.0 
1 1 1 29 36 11 o 0.4487000      1.281000      98.22059      63.9   
1 1 1 29 36 12 o 2.447000       1.312000      189.6280      -70.9  
1 1 1 29 36 13 o 7.195000       1.506000      348.2184      77.5   
1 1 1 29 36 14 o 0.4010000      1.692000      76.53827      123.4  
1 1 1 29 36 15 o 2.951000       1.483000      222.2822      -125.3 
1 1 1 29 36 16 o 2.350000       1.453000      178.7910      -156.1 
1 1 1 29 36 17 o -0.6360000     1.672000      77.46548      153.0  
1 1 1 29 36 18 o 0.1000000      1.385000      48.05875      -170.1 
1 1 1 29 36 19 o 2.942000       1.396000      143.3495      1.3    
1 1 1 29 36 20 o -0.1666000     1.386000      53.62526      21.8   
1 1 1 29 36 21 o 2.894000       1.440000      214.7829      80.6   
1 1 1 29 36 22 o 3.964000       1.419000      300.3172      -127.1 
1 1 1 29 36 23 o 0.8613000      1.380000      195.2966      47.5   
1 1 1 29 36 24 o 0.5389000      1.363000      ?             ?      
1 1 1 29 36 25 o -0.9984000     1.358000      ?             ?      
1 1 1 29 36 26 o 1.050000       1.334000      ?             ?      
1 1 1 29 36 27 o -0.8722000     1.298000      ?             ?      
1 1 1 29 36 28 o -0.8163000     1.277000      ?             ?      
1 1 1 29 36 29 o 1.002000       1.264000      ?             ?      
1 1 1 29 36 30 o -1.928000      1.450000      ?             ?      
1 1 1 29 36 31 o -1.334000      1.472000      ?             ?      
1 1 1 29 36 32 o 1.407000       1.240000      ?             ?      
1 1 1 29 36 33 o 0.8996000      1.246000      ?             ?      
1 1 1 29 36 34 o -1.063000      1.428000      ?             ?      
1 1 1 29 36 35 o 3.999000       2.081000      ?             ?      
1 1 1 29 36 36 o 1.730000       1.537000      ?             ?      
1 1 1 29 36 37 o 0.2022000      1.588000      ?             ?      
1 1 1 29 36 38 o 1.611000       1.121000      ?             ?      
1 1 1 29 36 39 o 0.5431000      1.128000      ?             ?      
1 1 1 29 36 40 o -0.2364000     1.137000      ?             ?      
1 1 1 29 36 41 o 0.4696000      1.003000      ?             ?      
1 1 1 29 36 42 o 1.503000       0.9996000     ?             ?      
1 1 1 29 36 43 o -0.1217000E-01 0.9843000     ?             ?      
1 1 1 29 36 44 o -0.4024000     0.9895000     ?             ?      
1 1 1 29 36 45 o 0.2962000      1.003000      ?             ?      
1 1 1 29 36 46 o 0.9631000      1.072000      ?             ?      
1 1 1 29 36 47 o 0.2579000      1.082000      ?             ?      
1 1 1 29 36 48 o 0.2093000      1.167000      ?             ?      
1 1 1 29 36 49 o -0.8452000     1.439000      ?             ?      
1 1 1 29 36 50 o 0.3865000      1.681000      ?             ?      
1 1 1 29 36 51 o -0.4013000     1.453000      ?             ?      
1 1 1 29 37 0  o -0.4570000E-01 1.299000      7.815144      -90.0  
1 1 1 29 37 1  o -0.2708000     0.9226000     69.92683      0.1    
1 1 1 29 37 2  o 0.6632000      0.9590000     66.53002      -24.4  
1 1 1 29 37 3  o -0.3850000     1.024000      104.9000      -66.3  
1 1 1 29 37 4  o 1.126000       1.036000      193.3831      -121.4 
1 1 1 29 37 5  o -0.3847000     1.516000      110.0050      -69.7  
1 1 1 29 37 6  o -0.6961000     1.284000      124.8710      -33.4  
1 1 1 29 37 7  o 1.040000       1.262000      285.6652      159.5  
1 1 1 29 37 8  o 0.8845000      1.247000      68.71793      48.4   
1 1 1 29 37 9  o 0.1913000      1.262000      184.7884      -40.2  
1 1 1 29 37 10 o 2.351000       1.283000      171.3622      48.7   
1 1 1 29 37 11 o -0.8640000E-01 1.269000      49.84791      2.3    
1 1 1 29 37 12 o 0.8168000      1.446000      76.18326      -14.4  
1 1 1 29 37 13 o 1.676000       1.423000      49.32320      -105.5 
1 1 1 29 37 14 o -2.831000      1.674000      43.67081      58.7   
1 1 1 29 37 15 o 3.281000       1.445000      184.7146      -53.6  
1 1 1 29 37 16 o 0.4293000      1.455000      117.5186      -94.8  
1 1 1 29 37 17 o 2.505000       1.669000      45.51016      27.1   
1 1 1 29 37 18 o 3.657000       1.656000      89.97977      -98.2  
1 1 1 29 37 19 o 0.8911000      1.372000      25.09393      51.0   
1 1 1 29 37 20 o -0.4698000     1.415000      174.2603      -105.8 
1 1 1 29 37 21 o -1.521000      1.395000      ?             ?      
1 1 1 29 37 22 o 2.001000       1.389000      ?             ?      
1 1 1 29 37 23 o 0.9585000E-02  1.364000      ?             ?      
1 1 1 29 37 24 o -0.7268000     1.361000      ?             ?      
1 1 1 29 37 25 o 3.244000       1.372000      ?             ?      
1 1 1 29 37 26 o 0.1377000      1.328000      ?             ?      
1 1 1 29 37 27 o 1.026000       1.328000      ?             ?      
1 1 1 29 37 28 o -0.1782000     1.349000      ?             ?      
1 1 1 29 37 29 o -2.957000      1.306000      ?             ?      
1 1 1 29 37 30 o -1.025000      1.437000      ?             ?      
1 1 1 29 37 31 o -1.137000      1.263000      ?             ?      
1 1 1 29 37 32 o -0.2734000     1.247000      ?             ?      
1 1 1 29 37 33 o -1.808000      1.239000      ?             ?      
1 1 1 29 37 34 o -2.351000      1.426000      ?             ?      
1 1 1 29 37 35 o -1.400000      1.592000      ?             ?      
1 1 1 29 37 36 o 1.217000       1.583000      ?             ?      
1 1 1 29 37 37 o -1.608000      1.540000      ?             ?      
1 1 1 29 37 38 o -1.047000      1.627000      ?             ?      
1 1 1 29 37 39 o 0.2677000      1.083000      ?             ?      
1 1 1 29 37 40 o 0.4696000      1.049000      ?             ?      
1 1 1 29 37 41 o -0.2603000     1.043000      ?             ?      
1 1 1 29 37 42 o -0.9687000E-01 0.9896000     ?             ?      
1 1 1 29 37 43 o 0.6687000      0.9797000     ?             ?      
1 1 1 29 37 44 o 0.9118000      1.026000      ?             ?      
1 1 1 29 37 45 o 1.685000       1.004000      ?             ?      
1 1 1 29 37 46 o 1.619000       1.017000      ?             ?      
1 1 1 29 37 47 o -0.4792000     1.485000      ?             ?      
1 1 1 29 37 48 o -0.4408000     1.091000      ?             ?      
1 1 1 29 37 49 o 0.6998000      1.424000      ?             ?      
1 1 1 29 37 50 o 0.2187000      1.605000      ?             ?      
1 1 1 29 38 0  o 2.516000       1.338000      5.138301      -90.0  
1 1 1 29 38 1  o 0.8293000      0.9573000     150.6626      26.6   
1 1 1 29 38 2  o 2.224000       1.034000      234.7649      16.2   
1 1 1 29 38 3  o -0.6569000     1.036000      38.30399      173.5  
1 1 1 29 38 4  o 0.9498000      1.091000      19.73163      -117.2 
1 1 1 29 38 5  o 1.629000       1.432000      169.3141      134.4  
1 1 1 29 38 6  o -1.488000      1.230000      74.35010      50.9   
1 1 1 29 38 7  o 0.1114000      1.245000      20.92907      -173.6 
1 1 1 29 38 8  o 1.054000       1.246000      183.1643      -107.5 
1 1 1 29 38 9  o 3.034000       1.254000      215.8123      140.2  
1 1 1 29 38 10 o 0.3598000      1.278000      50.54359      -35.1  
1 1 1 29 38 11 o -1.631000      1.272000      37.90673      -160.3 
1 1 1 29 38 12 o 1.573000       1.437000      46.06725      -36.3  
1 1 1 29 38 13 o -0.3447000     1.403000      158.1929      96.2   
1 1 1 29 38 14 o 0.3340000      1.416000      152.7532      -108.8 
1 1 1 29 38 15 o 0.5154000      1.412000      50.36939      -62.5  
1 1 1 29 38 16 o 4.200000       1.434000      165.1369      115.8  
1 1 1 29 38 17 o 0.4477000      1.655000      132.3967      -21.2  
1 1 1 29 38 18 o -0.1248000E-01 1.625000      34.68747      78.5   
1 1 1 29 38 19 o 2.039000       1.701000      ?             ?      
1 1 1 29 38 20 o -0.3320000     1.402000      ?             ?      
1 1 1 29 38 21 o -1.211000      1.378000      ?             ?      
1 1 1 29 38 22 o 1.616000       1.370000      ?             ?      
1 1 1 29 38 23 o 0.9053000      1.353000      ?             ?      
1 1 1 29 38 24 o -0.2307000E-01 1.358000      ?             ?      
1 1 1 29 38 25 o 0.5258000      1.371000      ?             ?      
1 1 1 29 38 26 o 0.8330000      1.384000      ?             ?      
1 1 1 29 38 27 o -0.2149000     1.304000      ?             ?      
1 1 1 29 38 28 o 0.2719000      1.293000      ?             ?      
1 1 1 29 38 29 o 1.360000       1.483000      ?             ?      
1 1 1 29 38 30 o -0.5033000     1.462000      ?             ?      
1 1 1 29 38 31 o -0.6854000     1.237000      ?             ?      
1 1 1 29 38 32 o -1.822000      1.291000      ?             ?      
1 1 1 29 38 33 o 0.2619000      1.450000      ?             ?      
1 1 1 29 38 34 o 3.110000       2.125000      ?             ?      
1 1 1 29 38 35 o -1.062000      1.524000      ?             ?      
1 1 1 29 38 36 o -0.2875000     1.504000      ?             ?      
1 1 1 29 38 37 o 1.335000       1.550000      ?             ?      
1 1 1 29 38 38 o 0.3236000      1.669000      ?             ?      
1 1 1 29 38 39 o 2.018000       1.350000      ?             ?      
1 1 1 29 38 40 o 1.108000       1.312000      ?             ?      
1 1 1 29 38 41 o -0.2663000E-01 1.044000      ?             ?      
1 1 1 29 38 42 o 0.2885000      0.9946000     ?             ?      
1 1 1 29 38 43 o -0.3881000     0.9831000     ?             ?      
1 1 1 29 38 44 o -1.332000      0.9996000     ?             ?      
1 1 1 29 38 45 o 1.961000       1.012000      ?             ?      
1 1 1 29 38 46 o 0.2911000E-01  1.017000      ?             ?      
1 1 1 29 38 47 o -0.9869000     1.072000      ?             ?      
1 1 1 29 38 48 o -2.331000      1.187000      ?             ?      
1 1 1 29 38 49 o -1.141000      1.501000      ?             ?      
1 1 1 29 39 0  o 0.1658000      1.356000      69.18613      -90.0  
1 1 1 29 39 1  o 0.9265000      0.9898000     120.2537      -4.5   
1 1 1 29 39 2  o -0.3622000     1.006000      67.46883      86.7   
1 1 1 29 39 3  o -0.4057000     1.054000      130.6306      -115.0 
1 1 1 29 39 4  o 1.213000       1.110000      112.4045      -98.4  
1 1 1 29 39 5  o 0.8735000      1.278000      114.6683      -28.2  
1 1 1 29 39 6  o -1.030000      1.202000      62.11712      -106.6 
1 1 1 29 39 7  o 0.3416000      1.206000      185.0067      130.9  
1 1 1 29 39 8  o 0.2859000      1.224000      155.0021      -36.1  
1 1 1 29 39 9  o 0.8504000      1.226000      147.4465      -24.4  
1 1 1 29 39 10 o 1.008000       1.269000      78.80797      15.8   
1 1 1 29 39 11 o -0.9585000     1.425000      15.32826      -72.6  
1 1 1 29 39 12 o 1.086000       1.394000      151.9806      -71.6  
1 1 1 29 39 13 o 0.1519000      1.426000      78.12603      46.1   
1 1 1 29 39 14 o 1.857000       1.403000      96.83006      -160.6 
1 1 1 29 39 15 o 1.663000       1.386000      111.9959      -44.8  
1 1 1 29 39 16 o 0.7571000      1.401000      ?             ?      
1 1 1 29 39 17 o 0.3190000      1.412000      ?             ?      
1 1 1 29 39 18 o 0.5438000      1.698000      ?             ?      
1 1 1 29 39 19 o -0.1338000     1.633000      ?             ?      
1 1 1 29 39 20 o -1.655000      1.615000      ?             ?      
1 1 1 29 39 21 o -0.5579000     1.343000      ?             ?      
1 1 1 29 39 22 o 1.174000       1.368000      ?             ?      
1 1 1 29 39 23 o 0.3729000      1.412000      ?             ?      
1 1 1 29 39 24 o 1.750000       1.402000      ?             ?      
1 1 1 29 39 25 o -1.161000      1.328000      ?             ?      
1 1 1 29 39 26 o 0.1269000      1.320000      ?             ?      
1 1 1 29 39 27 o 1.730000       1.315000      ?             ?      
1 1 1 29 39 28 o -1.334000      1.518000      ?             ?      
1 1 1 29 39 29 o -1.470000      1.491000      ?             ?      
1 1 1 29 39 30 o -0.9821000     1.311000      ?             ?      
1 1 1 29 39 31 o -0.4794000E-01 1.316000      ?             ?      
1 1 1 29 39 32 o 2.797000       1.642000      ?             ?      
1 1 1 29 39 33 o 0.2558000E-02  2.052000      ?             ?      
1 1 1 29 39 34 o -0.2588000     1.225000      ?             ?      
1 1 1 29 39 35 o 1.666000       1.250000      ?             ?      
1 1 1 29 39 36 o 1.652000       1.511000      ?             ?      
1 1 1 29 39 37 o 1.348000       1.572000      ?             ?      
1 1 1 29 39 38 o -0.1526000     1.640000      ?             ?      
1 1 1 29 39 39 o 1.553000       1.692000      ?             ?      
1 1 1 29 39 40 o 0.3465000      1.318000      ?             ?      
1 1 1 29 39 41 o -1.648000      1.292000      ?             ?      
1 1 1 29 39 42 o -1.704000      1.054000      ?             ?      
1 1 1 29 39 43 o -1.584000      0.9856000     ?             ?      
1 1 1 29 39 44 o -0.5103000     0.9920000     ?             ?      
1 1 1 29 39 45 o 0.5039000      1.018000      ?             ?      
1 1 1 29 39 46 o 1.813000       1.062000      ?             ?      
1 1 1 29 39 47 o 0.3936000      1.126000      ?             ?      
1 1 1 29 39 48 o 1.576000       1.198000      ?             ?      
1 1 1 29 40 0  o -0.3163000     1.429000      7.412632      -90.0  
1 1 1 29 40 1  o -0.2606000E-01 1.016000      101.8213      -15.3  
1 1 1 29 40 2  o 0.4820000      1.012000      61.28892      -33.5  
1 1 1 29 40 3  o -0.9731000E-01 1.086000      66.84142      -127.1 
1 1 1 29 40 4  o 0.4439000      1.023000      17.65582      25.8   
1 1 1 29 40 5  o -0.8865000     1.255000      117.2346      45.3   
1 1 1 29 40 6  o -0.1671000     1.161000      34.87683      137.9  
1 1 1 29 40 7  o -1.110000      1.198000      53.31992      17.5   
1 1 1 29 40 8  o 1.805000       1.203000      63.90953      -130.3 
1 1 1 29 40 9  o -1.349000      1.245000      60.97327      17.9   
1 1 1 29 40 10 o 0.4482000      1.254000      76.60427      30.1   
1 1 1 29 40 11 o 0.8310000      1.423000      34.60542      28.3   
1 1 1 29 40 12 o 1.921000       1.405000      ?             ?      
1 1 1 29 40 13 o 1.568000       1.244000      ?             ?      
1 1 1 29 40 14 o 0.9279000      1.372000      ?             ?      
1 1 1 29 40 15 o -1.199000      1.379000      ?             ?      
1 1 1 29 40 16 o 1.203000       1.633000      ?             ?      
1 1 1 29 40 17 o 2.604000       1.705000      ?             ?      
1 1 1 29 40 18 o 2.236000       1.654000      ?             ?      
1 1 1 29 40 19 o 0.9719000      1.642000      ?             ?      
1 1 1 29 40 20 o 1.994000       1.626000      ?             ?      
1 1 1 29 40 21 o 3.379000       1.645000      ?             ?      
1 1 1 29 40 22 o -1.429000      1.337000      ?             ?      
1 1 1 29 40 23 o -2.360000      1.330000      ?             ?      
1 1 1 29 40 24 o -0.2022000     1.333000      ?             ?      
1 1 1 29 40 25 o -1.103000      1.305000      ?             ?      
1 1 1 29 40 26 o -2.150000      1.284000      ?             ?      
1 1 1 29 40 27 o 0.5471000      1.340000      ?             ?      
1 1 1 29 40 28 o -0.8647000     1.575000      ?             ?      
1 1 1 29 40 29 o -2.214000      2.165000      ?             ?      
1 1 1 29 40 30 o 0.1012000      1.539000      ?             ?      
1 1 1 29 40 31 o -0.2909000     1.269000      ?             ?      
1 1 1 29 40 32 o -0.2583000     1.427000      ?             ?      
1 1 1 29 40 33 f 1.201000       1.408000      ?             ?      
1 1 1 29 40 34 o 1.875000       1.216000      ?             ?      
1 1 1 29 40 35 o -0.6849000     1.213000      ?             ?      
1 1 1 29 40 36 o -0.8445000     1.623000      ?             ?      
1 1 1 29 40 37 o 0.1566000      1.646000      ?             ?      
1 1 1 29 40 38 o 0.2574000      1.582000      ?             ?      
1 1 1 29 40 39 o -0.3057000     1.647000      ?             ?      
1 1 1 29 40 40 o 0.4454000      1.327000      ?             ?      
1 1 1 29 40 41 o 0.2670000      1.311000      ?             ?      
1 1 1 29 40 42 o 0.6428000      1.309000      ?             ?      
1 1 1 29 40 43 o 0.1160000      1.030000      ?             ?      
1 1 1 29 40 44 o -0.2818000     0.9984000     ?             ?      
1 1 1 29 40 45 o 0.3579000      1.008000      ?             ?      
1 1 1 29 40 46 o 1.178000       1.080000      ?             ?      
1 1 1 29 40 47 o -0.3828000E-01 1.300000      ?             ?      
1 1 1 29 41 0  o -1.094000      1.492000      46.77131      -90.0  
1 1 1 29 41 1  o 1.155000       1.041000      42.19964      39.2   
1 1 1 29 41 2  o 0.1544000      1.079000      40.44197      174.7  
1 1 1 29 41 3  o 1.877000       1.026000      21.36688      29.3   
1 1 1 29 41 4  o -1.773000      1.009000      10.93126      -54.6  
1 1 1 29 41 5  o 1.412000       1.220000      47.58171      -114.3 
1 1 1 29 41 6  o 0.3587000      1.144000      ?             ?      
1 1 1 29 41 7  o -0.2871000E-01 1.188000      ?             ?      
1 1 1 29 41 8  o -1.091000      1.180000      ?             ?      
1 1 1 29 41 9  o 0.3405000      1.227000      ?             ?      
1 1 1 29 41 10 o 0.8852000      1.411000      ?             ?      
1 1 1 29 41 11 o 0.5731000      1.414000      ?             ?      
1 1 1 29 41 12 o -0.3136000     1.396000      ?             ?      
1 1 1 29 41 13 o 0.3165000      1.374000      ?             ?      
1 1 1 29 41 14 o 1.435000       1.575000      ?             ?      
1 1 1 29 41 15 o 0.2565000      1.354000      ?             ?      
1 1 1 29 41 16 o -0.4986000     1.387000      ?             ?      
1 1 1 29 41 17 o -0.2977000     1.416000      ?             ?      
1 1 1 29 41 18 o -0.7818000     1.630000      ?             ?      
1 1 1 29 41 19 o 0.9468000      1.579000      ?             ?      
1 1 1 29 41 20 o 0.2223000      1.589000      ?             ?      
1 1 1 29 41 21 o 0.1915000      1.583000      ?             ?      
1 1 1 29 41 22 o -1.413000      1.564000      ?             ?      
1 1 1 29 41 23 o -0.1550000     1.325000      ?             ?      
1 1 1 29 41 24 o -0.4944000     1.306000      ?             ?      
1 1 1 29 41 25 o -1.456000      1.302000      ?             ?      
1 1 1 29 41 26 o -0.8184000     1.306000      ?             ?      
1 1 1 29 41 27 o 2.119000       2.090000      ?             ?      
1 1 1 29 41 28 o -0.2461000E-01 1.570000      ?             ?      
1 1 1 29 41 29 o -1.620000      1.279000      ?             ?      
1 1 1 29 41 30 o -0.2362000     1.279000      ?             ?      
1 1 1 29 41 31 o -0.6808000     1.323000      ?             ?      
1 1 1 29 41 32 o -1.617000      1.460000      ?             ?      
1 1 1 29 41 33 o -0.3811000     1.236000      ?             ?      
1 1 1 29 41 34 o -1.342000      1.211000      ?             ?      
1 1 1 29 41 35 o 0.2151000      1.258000      ?             ?      
1 1 1 29 41 36 o 1.137000       1.645000      ?             ?      
1 1 1 29 41 37 o -1.253000      1.626000      ?             ?      
1 1 1 29 41 38 o -2.231000      1.612000      ?             ?      
1 1 1 29 41 39 o -0.7664000E-01 1.636000      ?             ?      
1 1 1 29 41 40 o 1.086000       1.658000      ?             ?      
1 1 1 29 41 41 o 0.2733000      1.323000      ?             ?      
1 1 1 29 41 42 o -2.705000      1.308000      ?             ?      
1 1 1 29 41 43 o 0.4026000      1.238000      ?             ?      
1 1 1 29 41 44 o -1.149000      1.270000      ?             ?      
1 1 1 29 41 45 o 1.133000       1.062000      ?             ?      
1 1 1 29 41 46 o -0.6747000     1.320000      ?             ?      
1 1 1 29 42 0  o 0.8924000      1.482000      ?             ?      
1 1 1 29 42 1  o -0.6829000     1.189000      ?             ?      
1 1 1 29 42 2  o 0.4427000      1.056000      ?             ?      
1 1 1 29 42 3  o 0.9619000      0.9839000     ?             ?      
1 1 1 29 42 4  o 0.2427000      0.9814000     ?             ?      
1 1 1 29 42 5  o -0.2490000     1.152000      ?             ?      
1 1 1 29 42 6  o -0.2847000     1.127000      ?             ?      
1 1 1 29 42 7  o -1.525000      1.167000      ?             ?      
1 1 1 29 42 8  o 0.1239000      1.200000      ?             ?      
1 1 1 29 42 9  o 0.5122000      1.211000      ?             ?      
1 1 1 29 42 10 o 0.7708000      1.389000      ?             ?      
1 1 1 29 42 11 o 2.028000       1.629000      ?             ?      
1 1 1 29 42 12 o -0.8321000     1.210000      ?             ?      
1 1 1 29 42 13 o -0.7561000     1.185000      ?             ?      
1 1 1 29 42 14 o 1.830000       1.353000      ?             ?      
1 1 1 29 42 15 o -0.3433000     1.400000      ?             ?      
1 1 1 29 42 16 o 0.6980000      1.397000      ?             ?      
1 1 1 29 42 17 o 1.646000       1.369000      ?             ?      
1 1 1 29 42 18 o 0.1484000      1.535000      ?             ?      
1 1 1 29 42 19 o -0.4564000     1.554000      ?             ?      
1 1 1 29 42 20 o 0.8584000      1.533000      ?             ?      
1 1 1 29 42 21 o 0.7147000E-01  1.524000      ?             ?      
1 1 1 29 42 22 o 1.634000       1.557000      ?             ?      
1 1 1 29 42 23 o 0.9205000      1.570000      ?             ?      
1 1 1 29 42 24 o -1.863000      1.535000      ?             ?      
1 1 1 29 42 25 o 1.141000       1.527000      ?             ?      
1 1 1 29 42 26 o -1.765000      1.556000      ?             ?      
1 1 1 29 42 27 o 1.334000       1.525000      ?             ?      
1 1 1 29 42 28 o 1.955000       1.316000      ?             ?      
1 1 1 29 42 29 o 0.2718000      1.270000      ?             ?      
1 1 1 29 42 30 o 0.2593000E-01  1.273000      ?             ?      
1 1 1 29 42 31 o -2.095000      1.468000      ?             ?      
1 1 1 29 42 32 o -0.7914000     1.501000      ?             ?      
1 1 1 29 42 33 o -1.464000      1.265000      ?             ?      
1 1 1 29 42 34 o 1.182000       1.292000      ?             ?      
1 1 1 29 42 35 o 0.5786000      1.257000      ?             ?      
1 1 1 29 42 36 o -0.6769000     1.282000      ?             ?      
1 1 1 29 42 37 o -0.1948000     1.610000      ?             ?      
1 1 1 29 42 38 o 2.896000       1.662000      ?             ?      
1 1 1 29 42 39 o 0.5661000      1.684000      ?             ?      
1 1 1 29 42 40 o 0.2802000      1.667000      ?             ?      
1 1 1 29 42 41 o -0.1085000     1.353000      ?             ?      
1 1 1 29 42 42 o -0.9032000     1.339000      ?             ?      
1 1 1 29 42 43 o -1.753000      1.249000      ?             ?      
1 1 1 29 42 44 o 0.3707000      1.435000      ?             ?      
1 1 1 29 42 45 o -0.4682000     1.743000      ?             ?      
1 1 1 29 43 0  o 1.838000       1.464000      ?             ?      
1 1 1 29 43 1  o -0.4913000E-01 1.169000      ?             ?      
1 1 1 29 43 2  o -0.7501000     1.104000      ?             ?      
1 1 1 29 43 3  o 0.1206000      0.9712000     ?             ?      
1 1 1 29 43 4  o 1.246000       0.9151000     ?             ?      
1 1 1 29 43 5  o -1.491000      0.9546000     ?             ?      
1 1 1 29 43 6  o -1.570000      1.114000      ?             ?      
1 1 1 29 43 7  o 0.2615000      1.171000      ?             ?      
1 1 1 29 43 8  o -1.450000      1.347000      ?             ?      
1 1 1 29 43 9  o -0.9188000     1.370000      ?             ?      
1 1 1 29 43 10 o -0.3303000     1.350000      ?             ?      
1 1 1 29 43 11 o -1.283000      1.332000      ?             ?      
1 1 1 29 43 12 o 0.7432000      1.228000      ?             ?      
1 1 1 29 43 13 o 0.5927000      1.246000      ?             ?      
1 1 1 29 43 14 o -0.2244000     1.330000      ?             ?      
1 1 1 29 43 15 o 1.769000       1.325000      ?             ?      
1 1 1 29 43 16 o -1.303000      1.318000      ?             ?      
1 1 1 29 43 17 o -0.4085000     1.312000      ?             ?      
1 1 1 29 43 18 o -1.607000      1.556000      ?             ?      
1 1 1 29 43 19 o -0.8790000     1.536000      ?             ?      
1 1 1 29 43 20 o -1.728000      1.519000      ?             ?      
1 1 1 29 43 21 o -0.9394000     1.545000      ?             ?      
1 1 1 29 43 22 o -0.7781000     1.498000      ?             ?      
1 1 1 29 43 23 o 3.425000       1.536000      ?             ?      
1 1 1 29 43 24 o 0.2121000      1.521000      ?             ?      
1 1 1 29 43 25 o 0.7929000      1.564000      ?             ?      
1 1 1 29 43 26 o 0.1814000      2.967000      ?             ?      
1 1 1 29 43 27 o -1.550000      1.558000      ?             ?      
1 1 1 29 43 28 o 1.177000       1.321000      ?             ?      
1 1 1 29 43 29 o 1.750000       1.285000      ?             ?      
1 1 1 29 43 30 o -0.4613000     1.313000      ?             ?      
1 1 1 29 43 31 o 0.8441000      1.505000      ?             ?      
1 1 1 29 43 32 o -1.095000      1.283000      ?             ?      
1 1 1 29 43 33 o 2.003000       1.320000      ?             ?      
1 1 1 29 43 34 o -0.1664000     1.308000      ?             ?      
1 1 1 29 43 35 o 0.9674000      1.308000      ?             ?      
1 1 1 29 43 36 o -0.5754000     1.636000      ?             ?      
1 1 1 29 43 37 o 0.3920000E-01  1.648000      ?             ?      
1 1 1 29 43 38 o 2.059000       1.646000      ?             ?      
1 1 1 29 43 39 o -0.8031000     1.618000      ?             ?      
1 1 1 29 43 40 o -1.882000      1.711000      ?             ?      
1 1 1 29 43 41 o -0.5744000     1.426000      ?             ?      
1 1 1 29 43 42 o -0.3012000     1.351000      ?             ?      
1 1 1 29 43 43 o -0.2632000     1.359000      ?             ?      
1 1 1 29 43 44 < 0.000000       -1.000000     ?             ?      
1 1 1 29 44 0  o -2.589000      1.852000      ?             ?      
1 1 1 29 44 1  o 0.1106000      1.340000      ?             ?      
1 1 1 29 44 2  o -0.4605000     1.092000      ?             ?      
1 1 1 29 44 3  o -1.626000      1.010000      ?             ?      
1 1 1 29 44 4  o 0.9997000      0.8970000     ?             ?      
1 1 1 29 44 5  o -0.2346000     0.9863000     ?             ?      
1 1 1 29 44 6  o -0.9929000     1.268000      ?             ?      
1 1 1 29 44 7  o -0.7358000     1.146000      ?             ?      
1 1 1 29 44 8  o 1.194000       1.194000      ?             ?      
1 1 1 29 44 9  o -0.5404000     1.454000      ?             ?      
1 1 1 29 44 10 o -0.4305000     1.382000      ?             ?      
1 1 1 29 44 11 o 0.5229000      1.408000      ?             ?      
1 1 1 29 44 12 o -0.2612000     1.158000      ?             ?      
1 1 1 29 44 13 o -0.4360000     1.156000      ?             ?      
1 1 1 29 44 14 o -0.2825000     1.283000      ?             ?      
1 1 1 29 44 15 o 0.6402000      1.292000      ?             ?      
1 1 1 29 44 16 o 0.4726000      1.277000      ?             ?      
1 1 1 29 44 17 f 0.8809000      1.322000      ?             ?      
1 1 1 29 44 18 o 1.855000       1.537000      ?             ?      
1 1 1 29 44 19 o 2.367000       1.505000      ?             ?      
1 1 1 29 44 20 o -1.108000      1.451000      ?             ?      
1 1 1 29 44 21 o -0.1937000     1.478000      ?             ?      
1 1 1 29 44 22 o -0.5500000E-01 1.477000      ?             ?      
1 1 1 29 44 23 o 0.5834000      1.489000      ?             ?      
1 1 1 29 44 24 o -0.3107000     1.506000      ?             ?      
1 1 1 29 44 25 o -1.267000      2.072000      ?             ?      
1 1 1 29 44 26 o 0.2740000      2.106000      ?             ?      
1 1 1 29 44 27 o 0.8013000E-01  1.300000      ?             ?      
1 1 1 29 44 28 o 0.1934000      1.282000      ?             ?      
1 1 1 29 44 29 o -0.4490000     1.286000      ?             ?      
1 1 1 29 44 30 o -0.8964000     1.502000      ?             ?      
1 1 1 29 44 31 o 0.3320000      1.501000      ?             ?      
1 1 1 29 44 32 o 0.3350000      1.321000      ?             ?      
1 1 1 29 44 33 o 2.401000       1.336000      ?             ?      
1 1 1 29 44 34 o 0.5930000E-02  1.332000      ?             ?      
1 1 1 29 44 35 o -1.237000      1.341000      ?             ?      
1 1 1 29 44 36 o 1.571000       1.342000      ?             ?      
1 1 1 29 44 37 o -1.137000      1.631000      ?             ?      
1 1 1 29 44 38 o 2.298000       1.626000      ?             ?      
1 1 1 29 44 39 o 0.3595000      1.673000      ?             ?      
1 1 1 29 44 40 o -0.4991000     1.737000      ?             ?      
1 1 1 29 44 41 o -1.267000      1.755000      ?             ?      
1 1 1 29 44 42 o -1.145000      3.296000      ?             ?      
1 1 1 29 45 0  o -0.2728000     1.800000      ?             ?      
1 1 1 29 45 1  o 1.895000       1.184000      ?             ?      
1 1 1 29 45 2  o 0.9817000      1.080000      ?             ?      
1 1 1 29 45 3  o 1.643000       1.009000      ?             ?      
1 1 1 29 45 4  o -0.2076000E-01 0.8793000     ?             ?      
1 1 1 29 45 5  o 0.3071000      0.9057000     ?             ?      
1 1 1 29 45 6  o -1.052000      1.096000      ?             ?      
1 1 1 29 45 7  o -2.765000      1.418000      ?             ?      
1 1 1 29 45 8  o 1.056000       1.265000      ?             ?      
1 1 1 29 45 9  o -0.5579000     1.333000      ?             ?      
1 1 1 29 45 10 o -0.6111000     1.302000      ?             ?      
1 1 1 29 45 11 o 1.136000       1.157000      ?             ?      
1 1 1 29 45 12 o -0.6687000     1.132000      ?             ?      
1 1 1 29 45 13 o 0.6358000      1.155000      ?             ?      
1 1 1 29 45 14 o 2.474000       1.288000      ?             ?      
1 1 1 29 45 15 o 2.224000       1.287000      ?             ?      
1 1 1 29 45 16 o -0.7295000     1.290000      ?             ?      
1 1 1 29 45 17 o 0.8153000E-01  1.458000      ?             ?      
1 1 1 29 45 18 o -2.223000      1.452000      ?             ?      
1 1 1 29 45 19 o 0.8246000      1.463000      ?             ?      
1 1 1 29 45 20 o -1.092000      1.473000      ?             ?      
1 1 1 29 45 21 o -0.7199000     1.474000      ?             ?      
1 1 1 29 45 22 o -0.9797000     1.468000      ?             ?      
1 1 1 29 45 23 o -0.4501000     1.503000      ?             ?      
1 1 1 29 45 24 o -1.133000      2.068000      ?             ?      
1 1 1 29 45 25 o -0.1913000     2.074000      ?             ?      
1 1 1 29 45 26 o -1.942000      1.582000      ?             ?      
1 1 1 29 45 27 o 0.1133000      1.532000      ?             ?      
1 1 1 29 45 28 o -0.3597000     1.276000      ?             ?      
1 1 1 29 45 29 o 0.6542000E-01  1.529000      ?             ?      
1 1 1 29 45 30 o -0.5349000     1.531000      ?             ?      
1 1 1 29 45 31 o -1.734000      1.335000      ?             ?      
1 1 1 29 45 32 o 0.4050000      1.344000      ?             ?      
1 1 1 29 45 33 o 0.8155000E-01  1.324000      ?             ?      
1 1 1 29 45 34 o -1.105000      2.443000      ?             ?      
1 1 1 29 45 35 o 2.519000       1.331000      ?             ?      
1 1 1 29 45 36 o -0.2445000     1.321000      ?             ?      
1 1 1 29 45 37 o -1.181000      1.639000      ?             ?      
1 1 1 29 45 38 o 0.6331000      1.689000      ?             ?      
1 1 1 29 45 39 o -0.4787000     1.678000      ?             ?      
1 1 1 29 45 40 o -2.776000      1.694000      ?             ?      
1 1 1 29 45 41 o 1.558000       3.287000      ?             ?      
1 1 1 29 46 0  o -0.7969000     2.173000      ?             ?      
1 1 1 29 46 1  o 0.3216000      1.417000      ?             ?      
1 1 1 29 46 2  o -1.323000      1.048000      ?             ?      
1 1 1 29 46 3  o 0.4033000      0.9598000     ?             ?      
1 1 1 29 46 4  o 0.9302000      0.9786000     ?             ?      
1 1 1 29 46 5  o -0.4494000     0.8891000     ?             ?      
1 1 1 29 46 6  o -1.417000      1.062000      ?             ?      
1 1 1 29 46 7  o 0.1387000      1.167000      ?             ?      
1 1 1 29 46 8  o 1.130000       1.303000      ?             ?      
1 1 1 29 46 9  o -2.277000      1.281000      ?             ?      
1 1 1 29 46 10 o 0.3134000      1.286000      ?             ?      
1 1 1 29 46 11 o -0.6385000     1.145000      ?             ?      
1 1 1 29 46 12 o -0.6264000E-01 1.153000      ?             ?      
1 1 1 29 46 13 o 0.7573000      1.169000      ?             ?      
1 1 1 29 46 14 o 1.968000       1.237000      ?             ?      
1 1 1 29 46 15 o -0.4216000     1.237000      ?             ?      
1 1 1 29 46 16 o 0.4027000      1.237000      ?             ?      
1 1 1 29 46 17 o 1.845000       1.469000      ?             ?      
1 1 1 29 46 18 o 0.2203000      1.443000      ?             ?      
1 1 1 29 46 19 o -0.2215000E-01 1.466000      ?             ?      
1 1 1 29 46 20 o -1.357000      1.475000      ?             ?      
1 1 1 29 46 21 o 1.699000       1.467000      ?             ?      
1 1 1 29 46 22 o 1.134000       1.467000      ?             ?      
1 1 1 29 46 23 o -0.8629000     1.524000      ?             ?      
1 1 1 29 46 24 o 0.4067000      2.099000      ?             ?      
1 1 1 29 46 25 o 0.1357000      2.146000      ?             ?      
1 1 1 29 46 26 o -2.986000      1.509000      ?             ?      
1 1 1 29 46 27 o 2.303000       1.516000      ?             ?      
1 1 1 29 46 28 o -0.2560000     1.540000      ?             ?      
1 1 1 29 46 29 o -0.6201000     1.563000      ?             ?      
1 1 1 29 46 30 f 0.8652000      1.569000      ?             ?      
1 1 1 29 46 31 o 0.5317000      1.360000      ?             ?      
1 1 1 29 46 32 o -1.781000      1.340000      ?             ?      
1 1 1 29 46 33 o 0.9495000      1.342000      ?             ?      
1 1 1 29 46 34 o 0.5358000E-01  1.332000      ?             ?      
1 1 1 29 46 35 o -1.928000      1.332000      ?             ?      
1 1 1 29 46 36 f -0.4772000     1.347000      ?             ?      
1 1 1 29 46 37 o -0.5100000     1.375000      ?             ?      
1 1 1 29 46 38 o -2.178000      1.723000      ?             ?      
1 1 1 29 46 39 o 0.6990000      1.064000      ?             ?      
1 1 1 29 47 0  o -3.100000      1.591000      ?             ?      
1 1 1 29 47 1  o 0.4344000      1.166000      ?             ?      
1 1 1 29 47 2  o -2.952000      1.188000      ?             ?      
1 1 1 29 47 3  o -1.251000      1.124000      ?             ?      
1 1 1 29 47 4  o 0.8818000      0.9429000     ?             ?      
1 1 1 29 47 5  o -0.1089000     0.9703000     ?             ?      
1 1 1 29 47 6  o -0.6126000     1.086000      ?             ?      
1 1 1 29 47 7  o -0.1591000     1.157000      ?             ?      
1 1 1 29 47 8  o 1.327000       1.301000      ?             ?      
1 1 1 29 47 9  o 1.376000       1.306000      ?             ?      
1 1 1 29 47 10 o 0.6845000E-01  1.148000      ?             ?      
1 1 1 29 47 11 o 0.3933000      1.121000      ?             ?      
1 1 1 29 47 12 o 0.3356000      1.120000      ?             ?      
1 1 1 29 47 13 o 0.3195000      1.115000      ?             ?      
1 1 1 29 47 14 o 1.970000       1.219000      ?             ?      
1 1 1 29 47 15 o -0.1290000     1.220000      ?             ?      
1 1 1 29 47 16 f 0.9094000      1.242000      ?             ?      
1 1 1 29 47 17 o -1.027000      1.460000      ?             ?      
1 1 1 29 47 18 o 0.1248000      1.453000      ?             ?      
1 1 1 29 47 19 o 1.044000       1.470000      ?             ?      
1 1 1 29 47 20 o -0.7985000     1.450000      ?             ?      
1 1 1 29 47 21 o 1.173000       1.468000      ?             ?      
1 1 1 29 47 22 o -0.6965000     1.505000      ?             ?      
1 1 1 29 47 23 o 1.704000       2.093000      ?             ?      
1 1 1 29 47 24 o -1.101000      2.073000      ?             ?      
1 1 1 29 47 25 o -0.6152000     1.519000      ?             ?      
1 1 1 29 47 26 o 1.287000       1.499000      ?             ?      
1 1 1 29 47 27 o -1.136000      1.525000      ?             ?      
1 1 1 29 47 28 o -2.107000      1.558000      ?             ?      
1 1 1 29 47 29 o -1.213000      2.150000      ?             ?      
1 1 1 29 47 30 o -1.805000      1.646000      ?             ?      
1 1 1 29 47 31 o -0.9945000     1.057000      ?             ?      
1 1 1 29 47 32 o 0.6956000E-01  1.364000      ?             ?      
1 1 1 29 47 33 o 0.9624000      1.364000      ?             ?      
1 1 1 29 47 34 o 0.6184000      1.362000      ?             ?      
1 1 1 29 47 35 o -0.5786000     1.338000      ?             ?      
1 1 1 29 47 36 o 0.2161000      1.366000      ?             ?      
1 1 1 29 47 37 o -1.017000      1.669000      ?             ?      
1 1 1 29 47 38 o -1.213000      3.305000      ?             ?      
1 1 1 29 48 0  o 1.431000       1.452000      ?             ?      
1 1 1 29 48 1  o 0.8992000      0.9453000     ?             ?      
1 1 1 29 48 2  o 0.4711000      1.062000      ?             ?      
1 1 1 29 48 3  o -1.007000      1.089000      ?             ?      
1 1 1 29 48 4  o -0.2547000     0.9170000     ?             ?      
1 1 1 29 48 5  o 1.565000       1.167000      ?             ?      
1 1 1 29 48 6  o 0.7115000      1.150000      ?             ?      
1 1 1 29 48 7  o -1.116000      1.153000      ?             ?      
1 1 1 29 48 8  o -0.7176000E-01 1.259000      ?             ?      
1 1 1 29 48 9  o 1.191000       1.250000      ?             ?      
1 1 1 29 48 10 o -0.6124000     1.086000      ?             ?      
1 1 1 29 48 11 o -0.2253000     1.104000      ?             ?      
1 1 1 29 48 12 o 0.3587000E-01  1.098000      ?             ?      
1 1 1 29 48 13 o -1.858000      1.093000      ?             ?      
1 1 1 29 48 14 o 0.1022000      1.224000      ?             ?      
1 1 1 29 48 15 o 0.3525000      1.232000      ?             ?      
1 1 1 29 48 16 o 0.2971000      1.224000      ?             ?      
1 1 1 29 48 17 o -1.046000      1.444000      ?             ?      
1 1 1 29 48 18 o 1.755000       1.447000      ?             ?      
1 1 1 29 48 19 o 1.607000       1.463000      ?             ?      
1 1 1 29 48 20 o 1.389000       1.499000      ?             ?      
1 1 1 29 48 21 o -0.2969000     1.474000      ?             ?      
1 1 1 29 48 22 o 1.917000       2.066000      ?             ?      
1 1 1 29 48 23 o 2.916000       2.092000      ?             ?      
1 1 1 29 48 24 o 1.768000       1.575000      ?             ?      
1 1 1 29 48 25 o -0.3264000     1.518000      ?             ?      
1 1 1 29 48 26 o 0.1145000E-01  1.541000      ?             ?      
1 1 1 29 48 27 o 1.746000       1.554000      ?             ?      
1 1 1 29 48 28 o 1.498000       2.183000      ?             ?      
1 1 1 29 48 29 o 0.3818000      2.293000      ?             ?      
1 1 1 29 48 30 o -0.7242000     1.650000      ?             ?      
1 1 1 29 48 31 o 0.3844000      1.652000      ?             ?      
1 1 1 29 48 32 o -0.1034000     1.368000      ?             ?      
1 1 1 29 48 33 o 1.021000       1.370000      ?             ?      
1 1 1 29 48 34 f 0.4616000      1.373000      ?             ?      
1 1 1 29 48 35 o -1.435000      1.391000      ?             ?      
1 1 1 29 48 36 o 2.354000       3.301000      ?             ?      
1 1 1 29 49 0  o 0.3956000      1.173000      ?             ?      
1 1 1 29 49 1  o 0.4069000      0.9379000     ?             ?      
1 1 1 29 49 2  o 0.3715000      0.9942000     ?             ?      
1 1 1 29 49 3  o 0.6136000      1.015000      ?             ?      
1 1 1 29 49 4  o 0.8073000E-01  1.070000      ?             ?      
1 1 1 29 49 5  o 0.6600000      1.394000      ?             ?      
1 1 1 29 49 6  o -0.6429000     1.254000      ?             ?      
1 1 1 29 49 7  o -0.2682000     1.260000      ?             ?      
1 1 1 29 49 8  o -0.3865000E-01 1.217000      ?             ?      
1 1 1 29 49 9  o 1.054000       1.237000      ?             ?      
1 1 1 29 49 10 o 0.7033000      1.114000      ?             ?      
1 1 1 29 49 11 o 1.945000       1.106000      ?             ?      
1 1 1 29 49 12 o 1.041000       1.105000      ?             ?      
1 1 1 29 49 13 o -0.3835000     1.111000      ?             ?      
1 1 1 29 49 14 o 1.005000       1.225000      ?             ?      
1 1 1 29 49 15 o -0.8612000     1.246000      ?             ?      
1 1 1 29 49 16 o 0.8204000      1.257000      ?             ?      
1 1 1 29 49 17 o 1.025000       1.460000      ?             ?      
1 1 1 29 49 18 o -1.652000      1.409000      ?             ?      
1 1 1 29 49 19 o 0.8427000      1.453000      ?             ?      
1 1 1 29 49 20 o 0.2921000E-01  1.457000      ?             ?      
1 1 1 29 49 21 o -1.465000      1.488000      ?             ?      
1 1 1 29 49 22 o -1.001000      2.021000      ?             ?      
1 1 1 29 49 23 o 1.306000       2.057000      ?             ?      
1 1 1 29 49 24 o -1.964000      1.514000      ?             ?      
1 1 1 29 49 25 o -0.6730000     1.536000      ?             ?      
1 1 1 29 49 26 o 0.8057000      1.587000      ?             ?      
1 1 1 29 49 27 o -1.218000      2.183000      ?             ?      
1 1 1 29 49 28 o 1.130000       2.296000      ?             ?      
1 1 1 29 49 29 o -0.5291000     1.670000      ?             ?      
1 1 1 29 49 30 o -1.100000      1.676000      ?             ?      
1 1 1 29 49 31 o 0.4221000      1.643000      ?             ?      
1 1 1 29 49 32 o 1.704000       1.677000      ?             ?      
1 1 1 29 49 33 o -0.3854000     1.715000      ?             ?      
1 1 1 29 49 34 o 0.9292000      1.674000      ?             ?      
1 1 1 29 50 0  o -1.073000      1.215000      ?             ?      
1 1 1 29 50 1  o -0.9471000     1.042000      ?             ?      
1 1 1 29 50 2  o -1.062000      1.004000      ?             ?      
1 1 1 29 50 3  o 0.6234000      1.022000      ?             ?      
1 1 1 29 50 4  o -0.7216000     1.071000      ?             ?      
1 1 1 29 50 5  o -0.3525000     1.281000      ?             ?      
1 1 1 29 50 6  o 0.3758000      1.131000      ?             ?      
1 1 1 29 50 7  o -2.433000      1.275000      ?             ?      
1 1 1 29 50 8  o -0.9803000     1.202000      ?             ?      
1 1 1 29 50 9  o -1.350000      1.227000      ?             ?      
1 1 1 29 50 10 f 0.6918000      1.241000      ?             ?      
1 1 1 29 50 11 o -0.4181000     1.093000      ?             ?      
1 1 1 29 50 12 o 0.6880000E-01  1.129000      ?             ?      
1 1 1 29 50 13 o 1.053000       1.138000      ?             ?      
1 1 1 29 50 14 o 1.123000       1.245000      ?             ?      
1 1 1 29 50 15 o -1.492000      1.261000      ?             ?      
1 1 1 29 50 16 o 0.9752000      1.262000      ?             ?      
1 1 1 29 50 17 o 1.375000       1.478000      ?             ?      
1 1 1 29 50 18 o -2.314000      1.443000      ?             ?      
1 1 1 29 50 19 o 0.4143000      1.485000      ?             ?      
1 1 1 29 50 20 o -0.4141000     1.500000      ?             ?      
1 1 1 29 50 21 o 1.487000       2.064000      ?             ?      
1 1 1 29 50 22 o 2.058000       2.071000      ?             ?      
1 1 1 29 50 23 o 1.019000       1.549000      ?             ?      
1 1 1 29 50 24 o -0.9565000     1.098000      ?             ?      
1 1 1 29 50 25 o -0.2348000     1.512000      ?             ?      
1 1 1 29 50 26 o 0.3530000E-01  1.621000      ?             ?      
1 1 1 29 50 27 o 2.203000       2.261000      ?             ?      
1 1 1 29 50 28 o -0.4432000     2.301000      ?             ?      
1 1 1 29 50 29 o 0.7624000      1.118000      ?             ?      
1 1 1 29 50 30 o 1.296000       1.650000      ?             ?      
1 1 1 29 50 31 o -0.4473000     1.649000      ?             ?      
1 1 1 29 50 32 o -2.288000      1.674000      ?             ?      
1 1 1 29 51 0  o 0.2138000      1.451000      ?             ?      
1 1 1 29 51 1  o -0.5676000     0.9241000     ?             ?      
1 1 1 29 51 2  o -0.8779000E-01 0.9708000     ?             ?      
1 1 1 29 51 3  o 0.2797000      1.043000      ?             ?      
1 1 1 29 51 4  o -1.006000      1.251000      ?             ?      
1 1 1 29 51 5  o 0.3866000      1.388000      ?             ?      
1 1 1 29 51 6  o -0.8253000     1.263000      ?             ?      
1 1 1 29 51 7  o 0.9039000      1.243000      ?             ?      
1 1 1 29 51 8  o 0.6461000      1.228000      ?             ?      
1 1 1 29 51 9  o -0.7048000     1.075000      ?             ?      
1 1 1 29 51 10 o 1.874000       1.094000      ?             ?      
1 1 1 29 51 11 o 0.5943000      1.108000      ?             ?      
1 1 1 29 51 12 o -0.6683000     1.271000      ?             ?      
1 1 1 29 51 13 o -0.8782000E-01 1.286000      ?             ?      
1 1 1 29 51 14 o 3.107000       1.507000      ?             ?      
1 1 1 29 51 15 o 1.742000       1.282000      ?             ?      
1 1 1 29 51 16 o -1.246000      1.275000      ?             ?      
1 1 1 29 51 17 o -2.246000      1.468000      ?             ?      
1 1 1 29 51 18 o 0.8516000      1.479000      ?             ?      
1 1 1 29 51 19 o 0.9025000      1.503000      ?             ?      
1 1 1 29 51 20 o 0.8645000      2.035000      ?             ?      
1 1 1 29 51 21 o 4.742000       4.027000      ?             ?      
1 1 1 29 51 22 o -1.206000      1.581000      ?             ?      
1 1 1 29 51 23 o -0.6122000     2.867000      ?             ?      
1 1 1 29 51 24 o -0.6384000     1.516000      ?             ?      
1 1 1 29 51 25 o -0.4875000     1.636000      ?             ?      
1 1 1 29 51 26 o -1.032000      2.273000      ?             ?      
1 1 1 29 51 27 o 0.3467000      2.313000      ?             ?      
1 1 1 29 51 28 o 0.1334000      1.697000      ?             ?      
1 1 1 29 51 29 o 1.730000       1.227000      ?             ?      
1 1 1 29 51 30 o 0.6802000      1.710000      ?             ?      
1 1 1 29 52 0  o -1.424000      1.160000      ?             ?      
1 1 1 29 52 1  o 0.1641000      0.8185000     ?             ?      
1 1 1 29 52 2  o -0.9787000     0.8375000     ?             ?      
1 1 1 29 52 3  o 0.1707000E-01  1.039000      ?             ?      
1 1 1 29 52 4  o -1.171000      1.295000      ?             ?      
1 1 1 29 52 5  o -0.9249000     1.300000      ?             ?      
1 1 1 29 52 6  o -1.229000      1.292000      ?             ?      
1 1 1 29 52 7  o 3.438000       1.964000      ?             ?      
1 1 1 29 52 8  o 4.669000       2.011000      ?             ?      
1 1 1 29 52 9  o -0.5600000     1.087000      ?             ?      
1 1 1 29 52 10 o 0.8017000      1.096000      ?             ?      
1 1 1 29 52 11 o 0.4868000      1.116000      ?             ?      
1 1 1 29 52 12 o -0.2233000     1.126000      ?             ?      
1 1 1 29 52 13 o -0.7184000E-01 1.124000      ?             ?      
1 1 1 29 52 14 o 1.032000       1.245000      ?             ?      
1 1 1 29 52 15 o 0.8713000      1.259000      ?             ?      
1 1 1 29 52 16 o -1.243000      1.512000      ?             ?      
1 1 1 29 52 17 o -2.198000      2.024000      ?             ?      
1 1 1 29 52 18 o 0.3646000      1.487000      ?             ?      
1 1 1 29 52 19 o -0.7675000     1.520000      ?             ?      
1 1 1 29 52 20 o -3.308000      2.162000      ?             ?      
1 1 1 29 52 21 o 1.059000       2.164000      ?             ?      
1 1 1 29 52 22 o -1.258000      1.563000      ?             ?      
1 1 1 29 52 23 o 0.3319000      1.540000      ?             ?      
1 1 1 29 52 24 o 1.816000       1.621000      ?             ?      
1 1 1 29 52 25 o 3.385000       1.694000      ?             ?      
1 1 1 29 52 26 o -1.119000      2.311000      ?             ?      
1 1 1 29 52 27 o -1.553000      2.331000      ?             ?      
1 1 1 29 52 28 o 1.759000       3.217000      ?             ?      
1 1 1 29 53 0  o 0.1796000      1.160000      ?             ?      
1 1 1 29 53 1  o -0.2305000     0.8218000     ?             ?      
1 1 1 29 53 2  o -0.2878000     0.8286000     ?             ?      
1 1 1 29 53 3  o 0.1798000      0.9861000     ?             ?      
1 1 1 29 53 4  o -0.7017000     1.107000      ?             ?      
1 1 1 29 53 5  o 2.027000       1.325000      ?             ?      
1 1 1 29 53 6  o -0.9030000     1.347000      ?             ?      
1 1 1 29 53 7  o 1.807000       1.288000      ?             ?      
1 1 1 29 53 8  o -0.1269000     1.124000      ?             ?      
1 1 1 29 53 9  o -0.7866000     1.106000      ?             ?      
1 1 1 29 53 10 o 0.5693000      1.220000      ?             ?      
1 1 1 29 53 11 o -0.3159000     1.459000      ?             ?      
1 1 1 29 53 12 o -0.5003000     1.290000      ?             ?      
1 1 1 29 53 13 o 0.2809000E-01  1.129000      ?             ?      
1 1 1 29 53 14 o 1.104000       1.149000      ?             ?      
1 1 1 29 53 15 o 1.680000       1.263000      ?             ?      
1 1 1 29 53 16 o 1.863000       1.268000      ?             ?      
1 1 1 29 53 17 o 0.4607000      1.483000      ?             ?      
1 1 1 29 53 18 o -1.190000      1.487000      ?             ?      
1 1 1 29 53 19 o -0.4152000E-01 1.062000      ?             ?      
1 1 1 29 53 20 o -0.9122000     1.180000      ?             ?      
1 1 1 29 53 21 o 2.798000       2.134000      ?             ?      
1 1 1 29 53 22 o -0.4411000     1.541000      ?             ?      
1 1 1 29 53 23 o 1.749000       1.660000      ?             ?      
1 1 1 29 53 24 o 0.2438000      1.680000      ?             ?      
1 1 1 29 53 25 o 0.5151000      2.298000      ?             ?      
1 1 1 29 54 0  o 1.586000       1.174000      ?             ?      
1 1 1 29 54 1  o -0.4259000     0.8271000     ?             ?      
1 1 1 29 54 2  o 2.046000       0.8389000     ?             ?      
1 1 1 29 54 3  o -1.542000      0.8454000     ?             ?      
1 1 1 29 54 4  o -2.591000      1.115000      ?             ?      
1 1 1 29 54 5  o 0.1234000      2.091000      ?             ?      
1 1 1 29 54 6  o 2.002000       1.240000      ?             ?      
1 1 1 29 54 7  o 1.182000       1.271000      ?             ?      
1 1 1 29 54 8  o 0.5355000      1.134000      ?             ?      
1 1 1 29 54 9  o 0.7091000E-01  1.140000      ?             ?      
1 1 1 29 54 10 o 1.168000       1.129000      ?             ?      
1 1 1 29 54 11 o -1.980000      1.134000      ?             ?      
1 1 1 29 54 12 o -1.157000      1.132000      ?             ?      
1 1 1 29 54 13 o 0.1763000      1.156000      ?             ?      
1 1 1 29 54 14 o 1.278000       1.518000      ?             ?      
1 1 1 29 54 15 o 0.2492000      1.485000      ?             ?      
1 1 1 29 54 16 o 1.878000       1.523000      ?             ?      
1 1 1 29 54 17 o -0.4045000     1.530000      ?             ?      
1 1 1 29 54 18 o 0.9971000      1.577000      ?             ?      
1 1 1 29 54 19 o -0.1896000     2.130000      ?             ?      
1 1 1 29 54 20 o 3.115000       2.157000      ?             ?      
1 1 1 29 54 21 o -0.2170000     1.590000      ?             ?      
1 1 1 29 54 22 o -1.590000      1.618000      ?             ?      
1 1 1 29 55 0  o 2.480000       1.179000      ?             ?      
1 1 1 29 55 1  o -0.4327000     0.8269000     ?             ?      
1 1 1 29 55 2  o -0.8008000E-01 0.8297000     ?             ?      
1 1 1 29 55 3  o -0.5843000     0.9509000     ?             ?      
1 1 1 29 55 4  o 0.8474000      1.134000      ?             ?      
1 1 1 29 55 5  o 0.6010000      1.287000      ?             ?      
1 1 1 29 55 6  o 0.9662000      1.247000      ?             ?      
1 1 1 29 55 7  o -0.2345000     1.277000      ?             ?      
1 1 1 29 55 8  o -1.481000      1.124000      ?             ?      
1 1 1 29 55 9  o -1.254000      1.115000      ?             ?      
1 1 1 29 55 10 o 0.2202000      1.097000      ?             ?      
1 1 1 29 55 11 o -1.054000      1.117000      ?             ?      
1 1 1 29 55 12 o 0.9759000      1.144000      ?             ?      
1 1 1 29 55 13 o 0.8386000E-01  1.173000      ?             ?      
1 1 1 29 55 14 o 0.3236000      1.173000      ?             ?      
1 1 1 29 55 15 o -0.6132000     1.271000      ?             ?      
1 1 1 29 55 16 o 1.065000       1.286000      ?             ?      
1 1 1 29 55 17 o 0.1621000      1.539000      ?             ?      
1 1 1 29 55 18 o -1.407000      1.052000      ?             ?      
1 1 1 29 55 19 o -0.8137000     2.160000      ?             ?      
1 1 1 29 56 0  f -0.2391000     1.164000      ?             ?      
1 1 1 29 56 1  o 0.9583000E-01  0.8306000     ?             ?      
1 1 1 29 56 2  o -0.8799000     0.8332000     ?             ?      
1 1 1 29 56 3  o 0.6621000      0.9698000     ?             ?      
1 1 1 29 56 4  o -0.9464000     0.9671000     ?             ?      
1 1 1 29 56 5  o 0.4576000      1.309000      ?             ?      
1 1 1 29 56 6  o 0.3963000      1.222000      ?             ?      
1 1 1 29 56 7  o -2.099000      1.116000      ?             ?      
1 1 1 29 56 8  o 1.764000       1.137000      ?             ?      
1 1 1 29 56 9  o 0.9303000      1.152000      ?             ?      
1 1 1 29 56 10 o -0.4038000     1.156000      ?             ?      
1 1 1 29 56 11 o -0.7286000     1.437000      ?             ?      
1 1 1 29 56 12 o -3.279000      1.456000      ?             ?      
1 1 1 29 56 13 o -1.633000      1.484000      ?             ?      
1 1 1 29 56 14 o 0.6410000      1.497000      ?             ?      
1 1 1 29 56 15 o 1.099000       2.114000      ?             ?      
1 1 1 29 57 0  o 0.3230000      1.179000      ?             ?      
1 1 1 29 57 1  o -0.4352000     0.8358000     ?             ?      
1 1 1 29 57 2  o 0.1854000      0.8364000     ?             ?      
1 1 1 29 57 3  o 1.556000       0.9742000     ?             ?      
1 1 1 29 57 4  o 1.248000       1.168000      ?             ?      
1 1 1 29 57 5  o 0.3275000      1.316000      ?             ?      
1 1 1 29 57 6  o -1.764000      1.065000      ?             ?      
1 1 1 29 57 7  o -0.2778000     1.443000      ?             ?      
1 1 1 29 57 8  o -1.713000      1.449000      ?             ?      
1 1 1 29 57 9  < 0.000000       -1.000000     ?             ?      
1 1 1 30 0  0  o 1.155000       2.200000      30.70521      180.0  
1 1 1 30 0  1  o 3.887000       1.528000      35.61302      90.0   
1 1 1 30 0  2  o 11.06000       1.571000      426.0471      0.0    
1 1 1 30 0  3  o 1.483000       1.557000      24.84953      -90.0  
1 1 1 30 0  4  o 39.74000       2.026000      808.1312      0.0    
1 1 1 30 0  5  o 9.458000       1.647000      326.6621      -90.0  
1 1 1 30 0  6  o 41.04000       2.458000      629.7973      -0.0   
1 1 1 30 0  7  o 9.892000       1.639000      447.3076      90.0   
1 1 1 30 0  8  o 9.992000       1.609000      339.5897      -0.0   
1 1 1 30 0  9  o 5.886000       1.680000      89.93671      90.0   
1 1 1 30 0  10 o 28.15000       1.941000      881.9153      0.0    
1 1 1 30 0  11 o 7.011000       1.639000      201.3159      -90.0  
1 1 1 30 0  12 o 16.21000       1.721000      358.1295      -180.0 
1 1 1 30 0  13 o 1.942000       1.543000      115.6729      -90.0  
1 1 1 30 0  14 o 0.9009000      1.552000      136.5107      0.0    
1 1 1 30 0  15 o 32.04000       1.925000      882.9692      90.0   
1 1 1 30 0  16 o 2.157000       1.531000      160.4380      -0.0   
1 1 1 30 0  17 o -0.7246000     1.475000      268.1026      -90.0  
1 1 1 30 0  18 o 2.549000       1.498000      75.84299      180.0  
1 1 1 30 0  19 o 13.03000       1.598000      691.9312      90.0   
1 1 1 30 0  20 o 17.98000       1.644000      625.0555      0.0    
1 1 1 30 0  21 o 0.9794000E-01  1.466000      231.6211      -90.0  
1 1 1 30 0  22 o 22.69000       1.800000      847.2684      -180.0 
1 1 1 30 0  23 o 10.12000       1.797000      572.2183      90.0   
1 1 1 30 0  24 o 32.02000       2.627000      1283.355      180.0  
1 1 1 30 0  25 o 11.71000       2.766000      386.1361      -90.0  
1 1 1 30 0  26 o 7.338000       2.588000      367.4896      0.0    
1 1 1 30 0  27 o -1.528000      3.501000      150.0536      -90.0  
1 1 1 30 0  28 o 5.797000       1.987000      85.15553      0.0    
1 1 1 30 0  29 o -1.391000      1.913000      112.8360      90.0   
1 1 1 30 0  30 o 0.2200000      1.666000      102.6026      180.0  
1 1 1 30 0  31 o 31.89000       2.087000      737.1716      -90.0  
1 1 1 30 0  32 o 3.541000       1.722000      129.3073      0.0    
1 1 1 30 0  33 o -0.3739000     1.742000      211.6105      -90.0  
1 1 1 30 0  34 o 16.43000       1.901000      579.2640      180.0  
1 1 1 30 0  35 o -1.253000      1.736000      177.1891      90.0   
1 1 1 30 0  36 o -1.257000      1.764000      9.278630      180.0  
1 1 1 30 0  37 o 13.18000       1.968000      531.9096      -90.0  
1 1 1 30 0  38 o 0.6373000      2.123000      302.3024      0.0    
1 1 1 30 0  39 o -0.8885000     1.874000      133.1216      -90.0  
1 1 1 30 0  40 o 1.345000       2.074000      197.1845      180.0  
1 1 1 30 0  41 o 4.350000       2.122000      235.2695      -90.0  
1 1 1 30 0  42 o 2.710000       1.939000      159.9052      0.0    
1 1 1 30 0  43 o 11.71000       2.051000      475.6354      90.0   
1 1 1 30 0  44 o 16.02000       2.080000      557.7565      0.0    
1 1 1 30 0  45 o 5.270000       1.883000      132.8604      90.0   
1 1 1 30 0  46 f -1.801000      1.862000      124.4766      180.0  
1 1 1 30 0  47 o 0.2857000      2.285000      ?             ?      
1 1 1 30 0  48 o 4.037000       2.721000      ?             ?      
1 1 1 30 0  49 o -2.592000      2.308000      ?             ?      
1 1 1 30 0  50 o -3.879000      2.405000      ?             ?      
1 1 1 30 0  51 o 1.075000       2.645000      ?             ?      
1 1 1 30 0  52 o 1.582000       1.786000      ?             ?      
1 1 1 30 0  53 o 1.405000       1.722000      ?             ?      
1 1 1 30 0  54 o -2.340000      1.711000      ?             ?      
1 1 1 30 0  55 o -0.2664000     1.675000      ?             ?      
1 1 1 30 0  56 o -2.300000      1.669000      ?             ?      
1 1 1 30 0  57 o 0.5465000      1.672000      ?             ?      
1 1 1 30 0  58 o -0.5249000E-02 1.658000      ?             ?      
1 1 1 30 0  59 o 1.666000       1.715000      ?             ?      
1 1 1 30 0  60 o 5.754000       1.793000      ?             ?      
1 1 1 30 0  61 o -1.044000      1.784000      ?             ?      
1 1 1 30 0  62 o 1.165000       1.780000      ?             ?      
1 1 1 30 0  63 o 1.356000       1.793000      ?             ?      
1 1 1 30 0  64 o 0.1047000E-01  2.217000      ?             ?      
1 1 1 30 0  65 o -2.301000      2.662000      ?             ?      
1 1 1 30 1  0  o -2.553000      1.539000      20.09274      -0.0   
1 1 1 30 1  1  o 21.39000       1.206000      828.5052      58.8   
1 1 1 30 1  2  o 8.218000       1.096000      151.4520      -170.2 
1 1 1 30 1  3  o 9.169000       1.138000      586.3120      -88.7  
1 1 1 30 1  4  o 17.51000       1.266000      503.3432      6.0    
1 1 1 30 1  5  o 33.72000       1.370000      866.0944      81.2   
1 1 1 30 1  6  o 26.76000       1.468000      869.3480      168.1  
1 1 1 30 1  7  o 12.65000       1.197000      476.1797      -133.6 
1 1 1 30 1  8  o 5.054000       1.145000      335.2616      -102.9 
1 1 1 30 1  9  o 61.60000       2.373000      904.5240      3.2    
1 1 1 30 1  10 o 70.05000       1.896000      1177.974      -92.9  
1 1 1 30 1  11 o 7.915000       1.172000      514.1050      48.2   
1 1 1 30 1  12 o 24.19000       1.292000      813.9249      -60.5  
1 1 1 30 1  13 o 9.711000       1.157000      475.9539      1.9    
1 1 1 30 1  14 o 6.294000       1.123000      325.9297      178.0  
1 1 1 30 1  15 o 26.27000       1.352000      929.8096      155.4  
1 1 1 30 1  16 o 3.492000       1.092000      240.9066      166.4  
1 1 1 30 1  17 o 1.257000       1.061000      280.8151      -12.6  
1 1 1 30 1  18 o 28.27000       1.323000      658.9622      107.6  
1 1 1 30 1  19 o 2.422000       1.062000      301.1195      -78.0  
1 1 1 30 1  20 o 4.163000       1.074000      211.9159      -67.6  
1 1 1 30 1  21 o 0.9854000      1.052000      157.4622      86.6   
1 1 1 30 1  22 o 7.792000       1.161000      340.5260      97.9   
1 1 1 30 1  23 o 4.770000       1.218000      281.1510      -130.8 
1 1 1 30 1  24 o 5.055000       1.549000      215.8304      -170.6 
1 1 1 30 1  25 o 1.975000       1.738000      355.6520      113.6  
1 1 1 30 1  26 o 23.83000       2.831000      671.9362      70.8   
1 1 1 30 1  27 o 5.205000       2.051000      362.1889      -150.9 
1 1 1 30 1  28 o 5.461000       1.424000      318.8065      0.2    
1 1 1 30 1  29 o 15.08000       1.402000      606.3893      -15.9  
1 1 1 30 1  30 o 0.9403000      1.177000      93.91342      105.4  
1 1 1 30 1  31 o 2.193000       1.211000      56.00681      -21.2  
1 1 1 30 1  32 o 6.637000       1.232000      385.6935      -68.6  
1 1 1 30 1  33 o 1.863000       1.224000      61.11824      -164.4 
1 1 1 30 1  34 o 4.099000       1.265000      139.2162      74.0   
1 1 1 30 1  35 o 7.134000       1.413000      378.3547      -50.1  
1 1 1 30 1  36 o 2.598000       1.359000      206.0106      76.1   
1 1 1 30 1  37 o 7.440000       1.327000      376.4962      52.0   
1 1 1 30 1  38 o 19.38000       1.554000      585.6297      -41.7  
1 1 1 30 1  39 o 4.185000       1.432000      160.6019      45.0   
1 1 1 30 1  40 o 2.167000       1.411000      260.9980      -48.2  
1 1 1 30 1  41 o 1.117000       1.412000      89.38032      -75.3  
1 1 1 30 1  42 o 12.18000       1.427000      591.2910      -93.5  
1 1 1 30 1  43 o 13.64000       1.534000      450.0175      145.9  
1 1 1 30 1  44 o 6.602000       1.371000      309.2942      -163.8 
1 1 1 30 1  45 o 0.1685000      1.316000      143.4821      98.7   
1 1 1 30 1  46 o 5.809000       1.452000      292.4731      -99.3  
1 1 1 30 1  47 o 1.654000       1.779000      ?             ?      
1 1 1 30 1  48 o -0.7686000     1.780000      ?             ?      
1 1 1 30 1  49 o 2.594000       2.149000      ?             ?      
1 1 1 30 1  50 o 1.941000       1.751000      ?             ?      
1 1 1 30 1  51 o 2.265000       1.540000      ?             ?      
1 1 1 30 1  52 o 1.465000       1.433000      ?             ?      
1 1 1 30 1  53 o 2.913000       1.364000      ?             ?      
1 1 1 30 1  54 o 6.320000       1.392000      ?             ?      
1 1 1 30 1  55 o -0.6269000E-01 1.189000      ?             ?      
1 1 1 30 1  56 o -0.5773000     1.188000      ?             ?      
1 1 1 30 1  57 o -1.180000      1.188000      ?             ?      
1 1 1 30 1  58 o -0.1708000     1.189000      ?             ?      
1 1 1 30 1  59 o -0.2840000     1.211000      ?             ?      
1 1 1 30 1  60 o 2.150000       1.251000      ?             ?      
1 1 1 30 1  61 o 4.462000       1.276000      ?             ?      
1 1 1 30 1  62 o -0.3322000     1.267000      ?             ?      
1 1 1 30 1  63 o 0.8171000      1.283000      ?             ?      
1 1 1 30 1  64 o 0.9103000      1.566000      ?             ?      
1 1 1 30 1  65 o 4.483000       1.681000      ?             ?      
1 1 1 30 2  0  o 4.243000       1.532000      216.5878      0.0    
1 1 1 30 2  1  o 5.678000       1.102000      254.0114      -34.5  
1 1 1 30 2  2  o 6.260000       1.101000      510.4303      28.1   
1 1 1 30 2  3  o 12.42000       1.167000      653.5278      -93.1  
1 1 1 30 2  4  o 26.74000       1.411000      710.5539      -22.0  
1 1 1 30 2  5  o 32.20000       1.527000      713.5536      -17.8  
1 1 1 30 2  6  o 4.668000       1.152000      245.7477      -40.4  
1 1 1 30 2  7  o 7.395000       1.139000      331.0133      89.8   
1 1 1 30 2  8  o 29.08000       1.453000      651.1168      47.1   
1 1 1 30 2  9  o 20.96000       1.348000      732.7556      -19.6  
1 1 1 30 2  10 o 26.39000       1.346000      942.7822      100.9  
1 1 1 30 2  11 o 13.97000       1.201000      598.8551      5.4    
1 1 1 30 2  12 o 3.823000       1.118000      226.0162      86.4   
1 1 1 30 2  13 o 5.357000       1.124000      324.6221      42.0   
1 1 1 30 2  14 o 11.49000       1.147000      668.1537      -82.8  
1 1 1 30 2  15 o 3.058000       1.096000      235.7400      64.7   
1 1 1 30 2  16 o 6.743000       1.109000      442.9957      -84.1  
1 1 1 30 2  17 o 7.302000       1.109000      495.3571      -173.8 
1 1 1 30 2  18 o 8.350000       1.114000      529.5850      24.4   
1 1 1 30 2  19 o 9.708000       1.109000      283.8881      -89.0  
1 1 1 30 2  20 o 9.205000       1.095000      348.4322      32.9   
1 1 1 30 2  21 o 4.608000       1.071000      265.4682      132.0  
1 1 1 30 2  22 o 10.51000       1.258000      603.8100      -156.4 
1 1 1 30 2  23 o -0.5965000E-01 1.286000      175.3631      108.7  
1 1 1 30 2  24 o 14.29000       1.639000      633.8185      169.1  
1 1 1 30 2  25 o 12.21000       1.850000      552.0480      -62.1  
1 1 1 30 2  26 o 9.699000       1.889000      307.2589      74.2   
1 1 1 30 2  27 o 3.369000       1.920000      227.2380      48.8   
1 1 1 30 2  28 o 0.7564000      1.567000      109.4765      59.5   
1 1 1 30 2  29 o 1.721000       1.308000      236.9296      111.2  
1 1 1 30 2  30 o 2.193000       1.290000      136.4690      147.3  
1 1 1 30 2  31 o 16.84000       1.335000      597.6108      -120.9 
1 1 1 30 2  32 o 11.32000       1.295000      520.5638      2.4    
1 1 1 30 2  33 o 7.915000       1.386000      358.9676      74.6   
1 1 1 30 2  34 o 19.79000       1.418000      645.6022      114.1  
1 1 1 30 2  35 o 7.096000       1.302000      356.5226      -174.5 
1 1 1 30 2  36 o 2.285000       1.356000      269.2703      58.9   
1 1 1 30 2  37 o 1.490000       1.295000      278.7516      -66.3  
1 1 1 30 2  38 o 7.753000       1.361000      372.8403      81.2   
1 1 1 30 2  39 o 2.971000       1.334000      102.0101      -167.8 
1 1 1 30 2  40 o 1.422000       1.295000      164.1968      52.7   
1 1 1 30 2  41 o 3.090000       1.311000      157.9960      -80.0  
1 1 1 30 2  42 o 4.526000       1.447000      162.9861      -113.9 
1 1 1 30 2  43 o -0.8417000     1.420000      48.34061      93.3   
1 1 1 30 2  44 o 1.752000       1.422000      19.23864      -69.6  
1 1 1 30 2  45 o -0.7029000E-01 1.420000      28.59987      23.2   
1 1 1 30 2  46 o 3.434000       1.818000      180.7241      33.2   
1 1 1 30 2  47 o 1.222000       1.614000      ?             ?      
1 1 1 30 2  48 o -0.6331000     2.084000      ?             ?      
1 1 1 30 2  49 o -3.543000      2.168000      ?             ?      
1 1 1 30 2  50 o 4.429000       1.758000      ?             ?      
1 1 1 30 2  51 o 0.4653000      1.371000      ?             ?      
1 1 1 30 2  52 o 3.248000       1.300000      ?             ?      
1 1 1 30 2  53 o -0.3061000     1.263000      ?             ?      
1 1 1 30 2  54 o 0.3890000      1.254000      ?             ?      
1 1 1 30 2  55 o -0.2647000     1.335000      ?             ?      
1 1 1 30 2  56 o 0.7034000      1.325000      ?             ?      
1 1 1 30 2  57 o 1.117000       1.209000      ?             ?      
1 1 1 30 2  58 o 1.232000       1.212000      ?             ?      
1 1 1 30 2  59 o 1.992000       1.233000      ?             ?      
1 1 1 30 2  60 o 0.2075000      1.230000      ?             ?      
1 1 1 30 2  61 o -0.1588000     1.247000      ?             ?      
1 1 1 30 2  62 o 0.4441000      1.282000      ?             ?      
1 1 1 30 2  63 o -0.8258000     1.789000      ?             ?      
1 1 1 30 2  64 o 3.023000       1.472000      ?             ?      
1 1 1 30 2  65 o -0.9480000     2.153000      ?             ?      
1 1 1 30 3  0  o 0.4736000      1.502000      101.1244      0.0    
1 1 1 30 3  1  o 17.53000       1.174000      668.7557      84.9   
1 1 1 30 3  2  o 3.161000       1.110000      94.93688      -16.2  
1 1 1 30 3  3  o 15.23000       1.185000      710.3002      100.0  
1 1 1 30 3  4  o 52.09000       1.610000      946.0007      47.3   
1 1 1 30 3  5  o 61.28000       2.185000      1114.318      144.1  
1 1 1 30 3  6  o 8.571000       1.179000      528.1373      158.8  
1 1 1 30 3  7  o 0.1688000      1.114000      334.5413      -40.4  
1 1 1 30 3  8  o 4.083000       1.129000      281.7679      -160.1 
1 1 1 30 3  9  o -0.4935000     1.125000      246.8620      -20.8  
1 1 1 30 3  10 o 20.08000       1.253000      819.6172      17.7   
1 1 1 30 3  11 o 0.3999000      1.132000      67.75978      169.2  
1 1 1 30 3  12 o 3.373000       1.118000      421.9849      105.6  
1 1 1 30 3  13 o 22.08000       1.280000      790.2103      68.9   
1 1 1 30 3  14 o 0.9094000      1.116000      87.13666      95.4   
1 1 1 30 3  15 o 0.1012000E-02  1.063000      85.54281      -98.5  
1 1 1 30 3  16 o 6.393000       1.096000      326.7743      -120.4 
1 1 1 30 3  17 o 7.531000       1.113000      315.7709      78.0   
1 1 1 30 3  18 o 1.851000       1.086000      121.2284      40.8   
1 1 1 30 3  19 o 2.964000       1.061000      313.6872      -18.3  
1 1 1 30 3  20 o 4.594000       1.062000      309.3741      -85.4  
1 1 1 30 3  21 o 0.5619000      1.041000      64.64886      121.5  
1 1 1 30 3  22 o 0.6142000      1.110000      211.4315      45.8   
1 1 1 30 3  23 o 9.665000       1.386000      437.0434      -76.3  
1 1 1 30 3  24 o 5.929000       1.691000      519.0972      87.9   
1 1 1 30 3  25 o 4.652000       1.814000      208.8558      175.3  
1 1 1 30 3  26 o 3.707000       1.778000      183.6794      119.6  
1 1 1 30 3  27 o 3.713000       1.560000      421.6316      -166.3 
1 1 1 30 3  28 o 8.353000       1.498000      481.1594      9.8    
1 1 1 30 3  29 o 1.584000       1.327000      304.6689      9.5    
1 1 1 30 3  30 o 3.843000       1.309000      280.0237      172.4  
1 1 1 30 3  31 f 1.949000       1.512000      233.8654      129.0  
1 1 1 30 3  32 o 9.091000       1.302000      417.1775      -68.4  
1 1 1 30 3  33 o 13.16000       1.593000      503.0591      101.7  
1 1 1 30 3  34 o 0.7505000      1.321000      96.34795      -77.4  
1 1 1 30 3  35 o 0.4877000      1.237000      174.2617      -171.0 
1 1 1 30 3  36 o 6.026000       1.298000      354.4824      11.5   
1 1 1 30 3  37 o 4.832000       1.314000      346.8541      53.7   
1 1 1 30 3  38 o 22.73000       1.492000      770.1022      -23.8  
1 1 1 30 3  39 o 6.988000       1.346000      123.2730      -174.6 
1 1 1 30 3  40 o 3.770000       1.313000      302.5822      -43.1  
1 1 1 30 3  41 o 1.307000       1.415000      267.2628      115.9  
1 1 1 30 3  42 o 10.10000       1.493000      442.2004      -68.7  
1 1 1 30 3  43 o 0.2239000      1.325000      244.9680      151.2  
1 1 1 30 3  44 o 0.4770000      1.445000      264.5194      141.0  
1 1 1 30 3  45 o 4.621000       1.441000      355.1596      21.7   
1 1 1 30 3  46 o 2.716000       1.615000      178.6450      -168.2 
1 1 1 30 3  47 o -0.5787000     1.634000      ?             ?      
1 1 1 30 3  48 o 1.265000       2.053000      ?             ?      
1 1 1 30 3  49 o -0.6046000     1.518000      ?             ?      
1 1 1 30 3  50 o 1.897000       1.503000      ?             ?      
1 1 1 30 3  51 o 0.3963000      1.307000      ?             ?      
1 1 1 30 3  52 o 2.011000       1.281000      ?             ?      
1 1 1 30 3  53 o -1.127000      1.260000      ?             ?      
1 1 1 30 3  54 o 0.6109000      1.174000      ?             ?      
1 1 1 30 3  55 o 0.5373000      1.181000      ?             ?      
1 1 1 30 3  56 o 0.6852000      1.255000      ?             ?      
1 1 1 30 3  57 o -1.230000      1.214000      ?             ?      
1 1 1 30 3  58 o -0.1107000     1.335000      ?             ?      
1 1 1 30 3  59 o -1.584000      1.339000      ?             ?      
1 1 1 30 3  60 o 0.7895000      1.231000      ?             ?      
1 1 1 30 3  61 o 1.469000       1.251000      ?             ?      
1 1 1 30 3  62 o 0.9103000      1.764000      ?             ?      
1 1 1 30 3  63 o -0.7631000     1.408000      ?             ?      
1 1 1 30 3  64 o -1.033000      1.514000      ?             ?      
1 1 1 30 3  65 o 0.8932000      2.180000      ?             ?      
1 1 1 30 4  0  o 4.108000       1.511000      312.7521      0.0    
1 1 1 30 4  1  o 13.92000       1.157000      570.2625      -171.0 
1 1 1 30 4  2  o 16.38000       1.192000      524.5836      -178.3 
1 1 1 30 4  3  o 1.623000       1.089000      281.0684      -106.8 
1 1 1 30 4  4  o 10.08000       1.141000      427.0575      -52.3  
1 1 1 30 4  5  o 3.886000       1.136000      338.8121      -23.8  
1 1 1 30 4  6  o 1.833000       1.116000      49.70180      67.8   
1 1 1 30 4  7  o 3.101000       1.124000      353.4110      75.7   
1 1 1 30 4  8  o 16.65000       1.231000      614.8867      33.8   
1 1 1 30 4  9  o 2.645000       1.156000      125.0035      -151.8 
1 1 1 30 4  10 o 5.176000       1.148000      440.7759      146.1  
1 1 1 30 4  11 o 1.980000       1.119000      179.5095      63.0   
1 1 1 30 4  12 o 4.983000       1.146000      349.3907      -165.9 
1 1 1 30 4  13 o 0.9415000      1.126000      295.3745      160.6  
1 1 1 30 4  14 o 5.400000       1.117000      278.5521      -129.8 
1 1 1 30 4  15 o -1.565000      1.068000      78.18040      160.6  
1 1 1 30 4  16 o 6.156000       1.105000      226.3593      35.6   
1 1 1 30 4  17 o 7.559000       1.136000      287.6849      -6.3   
1 1 1 30 4  18 o 13.01000       1.163000      473.9754      -41.6  
1 1 1 30 4  19 o 2.368000       1.058000      199.8740      64.7   
1 1 1 30 4  20 o 6.162000       1.073000      402.7502      62.6   
1 1 1 30 4  21 o 0.8629000      1.095000      127.9751      -158.0 
1 1 1 30 4  22 o 7.503000       1.207000      252.8969      -42.1  
1 1 1 30 4  23 o 10.06000       1.408000      353.1666      142.4  
1 1 1 30 4  24 o 3.006000       1.709000      187.0387      -98.9  
1 1 1 30 4  25 o 2.095000       1.475000      292.1628      -120.3 
1 1 1 30 4  26 o 8.757000       1.467000      295.5565      118.1  
1 1 1 30 4  27 o -1.051000      1.304000      190.1732      104.5  
1 1 1 30 4  28 o -0.5682000     1.400000      17.88990      34.6   
1 1 1 30 4  29 o 7.013000       1.434000      411.1907      -170.3 
1 1 1 30 4  30 o 4.999000       1.364000      344.3025      168.8  
1 1 1 30 4  31 o 8.988000       1.478000      316.3885      -104.3 
1 1 1 30 4  32 o -0.8210000     1.225000      59.89086      121.5  
1 1 1 30 4  33 o 16.40000       1.364000      514.9254      69.6   
1 1 1 30 4  34 o 1.308000       1.241000      192.9665      173.9  
1 1 1 30 4  35 o 0.9774000      1.249000      185.1798      113.8  
1 1 1 30 4  36 o 2.969000       1.275000      174.5781      -1.3   
1 1 1 30 4  37 o 2.936000       1.291000      226.9814      30.8   
1 1 1 30 4  38 o 3.598000       1.328000      281.3797      135.6  
1 1 1 30 4  39 o 3.320000       1.423000      194.8306      59.9   
1 1 1 30 4  40 o -0.2217000     1.389000      178.0156      169.2  
1 1 1 30 4  41 o 1.440000       1.445000      249.7760      -96.9  
1 1 1 30 4  42 o 9.848000       1.520000      385.3840      -102.0 
1 1 1 30 4  43 o 4.167000       1.343000      324.9543      117.1  
1 1 1 30 4  44 o 5.290000       1.353000      405.9357      84.9   
1 1 1 30 4  45 o 0.6569000      1.335000      105.5946      -100.2 
1 1 1 30 4  46 o 1.097000       1.451000      ?             ?      
1 1 1 30 4  47 o 2.759000       1.614000      ?             ?      
1 1 1 30 4  48 o 1.855000       1.598000      ?             ?      
1 1 1 30 4  49 o -0.4293000     1.471000      ?             ?      
1 1 1 30 4  50 o 1.830000       1.414000      ?             ?      
1 1 1 30 4  51 o -1.702000      1.432000      ?             ?      
1 1 1 30 4  52 o 0.9037000      1.350000      ?             ?      
1 1 1 30 4  53 o 4.444000       1.284000      ?             ?      
1 1 1 30 4  54 o 1.715000       1.184000      ?             ?      
1 1 1 30 4  55 o 1.083000       1.190000      ?             ?      
1 1 1 30 4  56 o -0.5689000     1.188000      ?             ?      
1 1 1 30 4  57 o 0.7067000      1.187000      ?             ?      
1 1 1 30 4  58 o -2.091000      1.266000      ?             ?      
1 1 1 30 4  59 o -0.6724000     1.270000      ?             ?      
1 1 1 30 4  60 o 4.493000       1.376000      ?             ?      
1 1 1 30 4  61 o 0.3654000      1.395000      ?             ?      
1 1 1 30 4  62 o -0.7432000     1.277000      ?             ?      
1 1 1 30 4  63 o 0.8115000      1.425000      ?             ?      
1 1 1 30 4  64 o 0.2354000      1.462000      ?             ?      
1 1 1 30 4  65 < 0.000000       -1.000000     ?             ?      
1 1 1 30 5  0  o -0.1989000     1.497000      28.41461      0.0    
1 1 1 30 5  1  o 6.706000       1.104000      410.6955      91.3   
1 1 1 30 5  2  o 0.5872000      1.083000      115.6881      -124.7 
1 1 1 30 5  3  o 0.8272000      1.075000      45.05105      23.5   
1 1 1 30 5  4  o 2.601000       1.077000      226.7187      64.4   
1 1 1 30 5  5  o 15.07000       1.212000      698.8222      119.4  
1 1 1 30 5  6  o 0.4203000      1.116000      301.9689      155.2  
1 1 1 30 5  7  o 1.956000       1.107000      262.1466      -90.3  
1 1 1 30 5  8  o 1.744000       1.143000      288.8592      -106.1 
1 1 1 30 5  9  o 12.74000       1.231000      530.6761      45.8   
1 1 1 30 5  10 o 19.21000       1.402000      711.4588      8.5    
1 1 1 30 5  11 o 3.691000       1.126000      118.7980      -88.4  
1 1 1 30 5  12 o 2.975000       1.148000      338.7776      29.0   
1 1 1 30 5  13 o -0.7397000     1.123000      235.9649      34.9   
1 1 1 30 5  14 o 0.5855000      1.090000      66.19242      -141.2 
1 1 1 30 5  15 o 10.55000       1.131000      270.8344      167.9  
1 1 1 30 5  16 o 0.8467000      1.073000      109.3850      -78.3  
1 1 1 30 5  17 o 10.92000       1.155000      432.3394      94.2   
1 1 1 30 5  18 o 8.878000       1.135000      456.0461      21.9   
1 1 1 30 5  19 o 2.547000       1.075000      238.6923      -128.2 
1 1 1 30 5  20 o 1.319000       1.045000      268.6922      177.7  
1 1 1 30 5  21 o -0.8068000     1.137000      103.6891      58.3   
1 1 1 30 5  22 o 3.278000       1.203000      190.1901      -3.3   
1 1 1 30 5  23 o 2.002000       1.416000      374.1622      -7.6   
1 1 1 30 5  24 o 8.123000       1.825000      395.0741      -152.4 
1 1 1 30 5  25 o 5.928000       2.116000      316.5391      -132.3 
1 1 1 30 5  26 o -2.107000      1.607000      55.96693      16.4   
1 1 1 30 5  27 o 2.341000       1.436000      165.2770      94.4   
1 1 1 30 5  28 o 4.129000       1.423000      245.6980      -56.5  
1 1 1 30 5  29 o 1.254000       1.295000      163.0555      -154.5 
1 1 1 30 5  30 o 4.959000       1.375000      394.6737      -2.8   
1 1 1 30 5  31 o 4.532000       1.350000      342.5319      133.0  
1 1 1 30 5  32 o 3.098000       1.322000      275.6956      -77.9  
1 1 1 30 5  33 o 3.301000       1.241000      161.2595      93.1   
1 1 1 30 5  34 o 5.006000       1.273000      347.3757      76.7   
1 1 1 30 5  35 o -0.8172000     1.244000      208.1412      -61.4  
1 1 1 30 5  36 o 3.030000       1.275000      302.0069      22.2   
1 1 1 30 5  37 o 2.102000       1.368000      245.7162      10.5   
1 1 1 30 5  38 o 1.841000       1.302000      221.0804      -117.9 
1 1 1 30 5  39 o 1.949000       1.407000      182.0901      -135.0 
1 1 1 30 5  40 o 3.591000       1.442000      333.5361      30.0   
1 1 1 30 5  41 o 1.887000       1.298000      49.61629      -60.4  
1 1 1 30 5  42 o 2.891000       1.424000      298.6411      -90.5  
1 1 1 30 5  43 o 2.016000       1.322000      274.2816      158.2  
1 1 1 30 5  44 o -1.504000      1.298000      51.87574      -38.0  
1 1 1 30 5  45 o -0.3586000E-01 1.436000      112.9285      -62.5  
1 1 1 30 5  46 o 4.734000       1.483000      ?             ?      
1 1 1 30 5  47 o -1.889000      1.452000      ?             ?      
1 1 1 30 5  48 o -0.1062000     1.345000      ?             ?      
1 1 1 30 5  49 o 3.753000       1.692000      ?             ?      
1 1 1 30 5  50 o 0.2556000      1.570000      ?             ?      
1 1 1 30 5  51 o 2.047000       1.323000      ?             ?      
1 1 1 30 5  52 o 0.5597000      1.349000      ?             ?      
1 1 1 30 5  53 o 2.087000       1.391000      ?             ?      
1 1 1 30 5  54 o 1.554000       1.281000      ?             ?      
1 1 1 30 5  55 o 2.618000       1.195000      ?             ?      
1 1 1 30 5  56 o -1.145000      1.178000      ?             ?      
1 1 1 30 5  57 o 0.6660000      1.180000      ?             ?      
1 1 1 30 5  58 o -1.902000      1.189000      ?             ?      
1 1 1 30 5  59 o 0.5063000      1.200000      ?             ?      
1 1 1 30 5  60 o 2.318000       1.275000      ?             ?      
1 1 1 30 5  61 o 1.956000       1.304000      ?             ?      
1 1 1 30 5  62 o -0.6650000     1.367000      ?             ?      
1 1 1 30 5  63 o 2.039000       1.404000      ?             ?      
1 1 1 30 5  64 o 0.1533000      1.471000      ?             ?      
1 1 1 30 6  0  o 12.78000       1.630000      452.5228      180.0  
1 1 1 30 6  1  o 4.377000       1.082000      281.5565      150.9  
1 1 1 30 6  2  o 1.660000       1.070000      96.41132      -127.0 
1 1 1 30 6  3  o 6.904000       1.102000      280.4462      -16.9  
1 1 1 30 6  4  o 0.4740000      1.082000      274.8134      -141.0 
1 1 1 30 6  5  o 5.399000       1.130000      444.2046      -123.6 
1 1 1 30 6  6  o 1.609000       1.113000      43.57003      -33.3  
1 1 1 30 6  7  o 0.3602000      1.099000      141.3744      -17.0  
1 1 1 30 6  8  o 7.543000       1.174000      344.5217      110.3  
1 1 1 30 6  9  o -0.8718000E-01 1.138000      105.8479      94.9   
1 1 1 30 6  10 o 1.044000       1.148000      356.5537      120.1  
1 1 1 30 6  11 o 7.579000       1.167000      480.0981      96.1   
1 1 1 30 6  12 o 4.357000       1.139000      349.7698      -167.9 
1 1 1 30 6  13 o 1.910000       1.104000      197.5719      31.1   
1 1 1 30 6  14 o 2.817000       1.093000      249.7470      -139.4 
1 1 1 30 6  15 o -0.8058000     1.070000      177.2633      75.2   
1 1 1 30 6  16 o 2.452000       1.063000      22.82286      -145.2 
1 1 1 30 6  17 o 2.724000       1.078000      240.1392      24.2   
1 1 1 30 6  18 o 5.814000       1.114000      371.2136      -126.3 
1 1 1 30 6  19 o 0.6535000      1.091000      242.5176      135.7  
1 1 1 30 6  20 o 5.006000       1.096000      429.8378      -81.0  
1 1 1 30 6  21 o 4.209000       1.182000      243.7988      133.9  
1 1 1 30 6  22 o -0.1922000     1.258000      188.4139      34.3   
1 1 1 30 6  23 o 3.563000       2.085000      205.2655      159.3  
1 1 1 30 6  24 o 2.600000       2.151000      179.3705      -6.6   
1 1 1 30 6  25 o 9.225000       1.514000      429.3698      83.0   
1 1 1 30 6  26 o -0.7638000     1.383000      175.2560      140.8  
1 1 1 30 6  27 o 0.6125000      1.273000      124.7693      7.9    
1 1 1 30 6  28 o -0.2265000     1.276000      198.2032      173.4  
1 1 1 30 6  29 o 0.5122000      1.319000      128.1866      160.0  
1 1 1 30 6  30 o 5.914000       1.498000      358.2357      -120.4 
1 1 1 30 6  31 o 0.4161000      1.289000      91.72899      31.9   
1 1 1 30 6  32 o 1.085000       1.299000      223.3549      -176.4 
1 1 1 30 6  33 o 2.316000       1.236000      227.3603      109.9  
1 1 1 30 6  34 o 2.374000       1.344000      233.5121      -98.6  
1 1 1 30 6  35 o 2.813000       1.344000      149.6974      107.7  
1 1 1 30 6  36 o 6.621000       1.405000      297.9768      10.6   
1 1 1 30 6  37 o 2.798000       1.402000      176.0659      151.4  
1 1 1 30 6  38 o -0.2101000     1.268000      115.2357      169.5  
1 1 1 30 6  39 o 1.661000       1.272000      108.1218      97.1   
1 1 1 30 6  40 o 3.307000       1.286000      297.6231      -164.3 
1 1 1 30 6  41 o 2.062000       1.286000      118.3962      -57.4  
1 1 1 30 6  42 o 1.296000       1.292000      87.60702      -101.2 
1 1 1 30 6  43 o 2.361000       1.320000      294.5376      78.0   
1 1 1 30 6  44 o 0.7095000E-01  1.283000      152.4946      36.8   
1 1 1 30 6  45 o 1.015000       1.405000      201.8286      121.7  
1 1 1 30 6  46 o 2.645000       1.587000      ?             ?      
1 1 1 30 6  47 o 6.065000       1.539000      ?             ?      
1 1 1 30 6  48 o -0.9320000     1.308000      ?             ?      
1 1 1 30 6  49 o -0.6009000E-01 1.377000      ?             ?      
1 1 1 30 6  50 o -1.168000      1.358000      ?             ?      
1 1 1 30 6  51 o 0.2504000      1.282000      ?             ?      
1 1 1 30 6  52 o 0.8419000      1.727000      ?             ?      
1 1 1 30 6  53 o -0.7384000     1.467000      ?             ?      
1 1 1 30 6  54 o -0.4263000     1.270000      ?             ?      
1 1 1 30 6  55 o 0.3051000      1.246000      ?             ?      
1 1 1 30 6  56 o 0.6852000      1.184000      ?             ?      
1 1 1 30 6  57 o 0.2433000      1.174000      ?             ?      
1 1 1 30 6  58 o -0.6929000     1.178000      ?             ?      
1 1 1 30 6  59 o 1.103000       1.196000      ?             ?      
1 1 1 30 6  60 o 2.080000       1.212000      ?             ?      
1 1 1 30 6  61 o -1.457000      1.669000      ?             ?      
1 1 1 30 6  62 o 1.551000       1.416000      ?             ?      
1 1 1 30 6  63 o -1.732000      1.411000      ?             ?      
1 1 1 30 6  64 o 0.3536000E-01  1.546000      ?             ?      
1 1 1 30 7  0  o -0.2116000     1.500000      8.325535      180.0  
1 1 1 30 7  1  o -0.6837000E-01 1.041000      140.5894      -61.0  
1 1 1 30 7  2  o 0.2595000      1.047000      133.4889      -49.6  
1 1 1 30 7  3  o 3.830000       1.083000      380.8936      -45.7  
1 1 1 30 7  4  o 3.267000       1.131000      111.5083      178.4  
1 1 1 30 7  5  o 0.2258000      1.110000      80.11549      -115.1 
1 1 1 30 7  6  o 2.029000       1.104000      78.87881      -44.1  
1 1 1 30 7  7  o -0.5631000     1.118000      135.0746      69.8   
1 1 1 30 7  8  o -0.2710000     1.130000      194.6118      171.4  
1 1 1 30 7  9  o 0.4815000      1.131000      69.77646      60.8   
1 1 1 30 7  10 o 0.2831000      1.117000      96.17490      130.7  
1 1 1 30 7  11 o 6.192000       1.174000      324.4364      -75.9  
1 1 1 30 7  12 o 4.477000       1.121000      319.1756      10.9   
1 1 1 30 7  13 o 0.2645000      1.086000      134.4543      131.2  
1 1 1 30 7  14 o 1.095000       1.085000      224.9075      168.3  
1 1 1 30 7  15 o 0.6005000      1.063000      161.8832      -78.9  
1 1 1 30 7  16 o 0.6204000      1.066000      76.08898      -170.6 
1 1 1 30 7  17 o -1.460000      1.063000      101.8251      24.1   
1 1 1 30 7  18 o 1.674000       1.077000      236.8159      60.9   
1 1 1 30 7  19 o 1.096000       1.081000      161.0952      50.1   
1 1 1 30 7  20 o 0.4722000      1.394000      152.0021      -141.7 
1 1 1 30 7  21 o 1.457000       1.388000      79.18869      53.2   
1 1 1 30 7  22 o 1.035000       1.400000      236.6203      -168.8 
1 1 1 30 7  23 o 2.673000       1.612000      314.5888      -140.5 
1 1 1 30 7  24 o 5.055000       1.590000      227.9290      174.1  
1 1 1 30 7  25 o -1.594000      1.305000      10.17013      114.4  
1 1 1 30 7  26 o 3.107000       1.225000      228.5144      125.3  
1 1 1 30 7  27 o -0.6395000     1.238000      84.62781      0.6    
1 1 1 30 7  28 o 0.9006000      1.173000      100.7416      -129.2 
1 1 1 30 7  29 o 1.362000       1.325000      75.51951      -38.6  
1 1 1 30 7  30 o 1.269000       1.320000      267.6992      6.3    
1 1 1 30 7  31 o 2.417000       1.406000      236.0005      -50.5  
1 1 1 30 7  32 o -0.2915000     1.367000      179.8727      -159.5 
1 1 1 30 7  33 o -1.059000      1.332000      275.1013      45.4   
1 1 1 30 7  34 o -0.1939000     1.342000      58.98518      106.4  
1 1 1 30 7  35 o 2.680000       1.389000      194.3960      41.6   
1 1 1 30 7  36 o -0.2989000     1.251000      131.8226      24.7   
1 1 1 30 7  37 o -0.6047000     1.253000      38.33664      170.5  
1 1 1 30 7  38 o 3.081000       1.271000      174.8022      -160.7 
1 1 1 30 7  39 o 0.8728000      1.259000      220.0685      -26.5  
1 1 1 30 7  40 o 1.324000       1.249000      156.7252      5.7    
1 1 1 30 7  41 o 2.199000       1.274000      191.7939      -95.8  
1 1 1 30 7  42 o 1.173000       1.267000      95.68205      145.1  
1 1 1 30 7  43 o 2.739000       1.395000      240.1219      163.6  
1 1 1 30 7  44 o 2.270000       1.380000      164.0771      134.0  
1 1 1 30 7  45 o 0.8710000      1.446000      8.332073      107.1  
1 1 1 30 7  46 o 0.3464000      1.440000      ?             ?      
1 1 1 30 7  47 o 0.3666000      1.380000      ?             ?      
1 1 1 30 7  48 o 0.8565000      1.311000      ?             ?      
1 1 1 30 7  49 o -1.895000      1.217000      ?             ?      
1 1 1 30 7  50 o -1.093000      1.351000      ?             ?      
1 1 1 30 7  51 o 2.763000       1.463000      ?             ?      
1 1 1 30 7  52 o 1.014000       1.310000      ?             ?      
1 1 1 30 7  53 o 1.449000       1.264000      ?             ?      
1 1 1 30 7  54 o 1.828000       1.322000      ?             ?      
1 1 1 30 7  55 o 2.196000       1.329000      ?             ?      
1 1 1 30 7  56 o -0.2511000     1.188000      ?             ?      
1 1 1 30 7  57 o -1.292000      1.248000      ?             ?      
1 1 1 30 7  58 o 1.102000       1.208000      ?             ?      
1 1 1 30 7  59 o -0.5559000     1.201000      ?             ?      
1 1 1 30 7  60 o 0.3347000      1.200000      ?             ?      
1 1 1 30 7  61 o 0.6357000      1.356000      ?             ?      
1 1 1 30 7  62 o -0.4291000     1.366000      ?             ?      
1 1 1 30 7  63 o -2.187000      2.187000      ?             ?      
1 1 1 30 7  64 o 1.348000       1.385000      ?             ?      
1 1 1 30 8  0  o 2.217000       1.510000      177.1488      -180.0 
1 1 1 30 8  1  o 0.5582000      1.032000      115.6245      73.1   
1 1 1 30 8  2  o -0.2944000     1.027000      160.8996      9.3    
1 1 1 30 8  3  o 4.397000       1.090000      231.8113      30.4   
1 1 1 30 8  4  o 0.5164000      1.108000      85.20652      -111.4 
1 1 1 30 8  5  o 3.276000       1.122000      279.2239      -67.0  
1 1 1 30 8  6  o -0.9648000E-01 1.091000      96.30296      95.6   
1 1 1 30 8  7  o -0.1598000     1.127000      100.0622      179.3  
1 1 1 30 8  8  o 0.6592000      1.139000      162.0142      93.1   
1 1 1 30 8  9  o -0.2704000E-01 1.112000      173.6060      -47.5  
1 1 1 30 8  10 o -1.753000      1.111000      251.9661      171.6  
1 1 1 30 8  11 o 0.8794000      1.126000      96.68121      -154.9 
1 1 1 30 8  12 o -0.9904000     1.186000      100.8419      62.4   
1 1 1 30 8  13 o -0.7816000     1.073000      123.3624      26.7   
1 1 1 30 8  14 o 1.256000       1.424000      130.1203      112.7  
1 1 1 30 8  15 o 0.7035000      1.070000      165.7572      177.7  
1 1 1 30 8  16 o 1.824000       1.085000      180.9256      142.5  
1 1 1 30 8  17 o -0.7947000     1.066000      65.51920      76.8   
1 1 1 30 8  18 o 0.7714000      1.228000      75.21700      -103.9 
1 1 1 30 8  19 o 1.500000       1.113000      250.8336      145.0  
1 1 1 30 8  20 o -1.346000      1.257000      117.4955      -118.4 
1 1 1 30 8  21 o -0.4331000E-01 1.347000      64.70066      111.5  
1 1 1 30 8  22 o -1.480000      1.428000      77.99776      -98.9  
1 1 1 30 8  23 o -1.877000      1.232000      52.63513      -92.5  
1 1 1 30 8  24 o -0.3769000     1.248000      58.96397      -114.0 
1 1 1 30 8  25 o 3.939000       1.233000      293.8092      108.8  
1 1 1 30 8  26 o -0.1576000     1.211000      69.31025      -76.9  
1 1 1 30 8  27 o 0.4675000      1.243000      86.75256      -107.0 
1 1 1 30 8  28 o -0.7908000     1.159000      140.3466      168.3  
1 1 1 30 8  29 o -1.702000      1.287000      109.4122      15.8   
1 1 1 30 8  30 o 0.2006000      1.299000      101.8079      35.4   
1 1 1 30 8  31 o -0.9587000     1.385000      60.40625      80.9   
1 1 1 30 8  32 o 1.344000       1.532000      112.7414      176.0  
1 1 1 30 8  33 o -0.8754000     1.314000      74.43942      -151.3 
1 1 1 30 8  34 o -0.8428000E-01 1.225000      34.75290      -110.3 
1 1 1 30 8  35 o 0.5253000      1.244000      112.8188      89.9   
1 1 1 30 8  36 o 1.819000       1.274000      211.9048      118.2  
1 1 1 30 8  37 o -0.4326000     1.259000      111.3105      -104.7 
1 1 1 30 8  38 o 0.8043000      1.255000      141.3317      143.8  
1 1 1 30 8  39 o -0.4004000     1.238000      64.58627      -164.9 
1 1 1 30 8  40 o -1.637000      1.232000      102.5164      85.2   
1 1 1 30 8  41 o 0.7952000      1.269000      169.7439      133.2  
1 1 1 30 8  42 o -0.4979000E-01 1.281000      122.9531      -92.4  
1 1 1 30 8  43 o 1.250000       1.259000      83.03364      -171.1 
1 1 1 30 8  44 o -0.7273000     1.368000      85.58728      -131.2 
1 1 1 30 8  45 o 0.5226000      1.539000      146.2826      -164.4 
1 1 1 30 8  46 o 0.3859000      1.473000      ?             ?      
1 1 1 30 8  47 o -1.893000      1.296000      ?             ?      
1 1 1 30 8  48 o -1.288000      1.199000      ?             ?      
1 1 1 30 8  49 o -0.2330000     1.195000      ?             ?      
1 1 1 30 8  50 o 0.7557000      1.385000      ?             ?      
1 1 1 30 8  51 o 0.1332000      1.466000      ?             ?      
1 1 1 30 8  52 o 0.2363000      1.271000      ?             ?      
1 1 1 30 8  53 o -0.8175000     1.252000      ?             ?      
1 1 1 30 8  54 o 0.7873000      1.319000      ?             ?      
1 1 1 30 8  55 o 1.647000       1.265000      ?             ?      
1 1 1 30 8  56 o 0.7532000      1.206000      ?             ?      
1 1 1 30 8  57 o -1.032000      1.279000      ?             ?      
1 1 1 30 8  58 o -0.8327000     1.197000      ?             ?      
1 1 1 30 8  59 o 0.7848000      1.260000      ?             ?      
1 1 1 30 8  60 o 0.7963000      1.266000      ?             ?      
1 1 1 30 8  61 o -0.6677000     1.347000      ?             ?      
1 1 1 30 8  62 o -0.2126000     1.528000      ?             ?      
1 1 1 30 8  63 o -0.5687000     1.524000      ?             ?      
1 1 1 30 8  64 o 0.6650000      1.390000      ?             ?      
1 1 1 30 9  0  o -1.417000      1.469000      47.98566      0.0    
1 1 1 30 9  1  o -2.077000      1.029000      90.29443      -112.9 
1 1 1 30 9  2  o -0.7196000     1.024000      174.3876      42.4   
1 1 1 30 9  3  o -1.042000      1.121000      236.2685      117.5  
1 1 1 30 9  4  o 0.9159000      1.097000      125.6630      118.0  
1 1 1 30 9  5  o -1.281000      1.099000      197.5554      -75.8  
1 1 1 30 9  6  o 2.079000       1.114000      58.19498      3.7    
1 1 1 30 9  7  o -0.5353000     1.118000      115.8393      -156.1 
1 1 1 30 9  8  o 0.8858000      1.118000      177.2630      -133.9 
1 1 1 30 9  9  o -0.3346000     1.095000      106.1339      -177.3 
1 1 1 30 9  10 o -1.135000      1.109000      194.8536      38.3   
1 1 1 30 9  11 o 2.511000       1.134000      268.4424      -64.8  
1 1 1 30 9  12 o -2.661000      1.142000      97.23483      -41.7  
1 1 1 30 9  13 o 0.3089000      1.086000      67.76417      144.9  
1 1 1 30 9  14 o -0.3058000E-01 1.090000      189.5146      -132.3 
1 1 1 30 9  15 o -0.2277000     1.202000      96.90060      -135.5 
1 1 1 30 9  16 o 0.5253000      1.165000      157.8036      -61.6  
1 1 1 30 9  17 o -0.8104000     1.078000      107.2351      79.9   
1 1 1 30 9  18 o 0.2004000      1.180000      132.6590      138.5  
1 1 1 30 9  19 o 1.024000       1.245000      101.4531      80.1   
1 1 1 30 9  20 o 0.6394000      1.264000      132.0429      -134.3 
1 1 1 30 9  21 o 0.9431000      1.524000      101.2868      -114.7 
1 1 1 30 9  22 o 0.4450000      1.345000      143.3694      129.2  
1 1 1 30 9  23 o -0.1029000     1.207000      108.5976      -52.5  
1 1 1 30 9  24 o -0.3383000E-01 1.084000      103.9330      41.2   
1 1 1 30 9  25 o -1.357000      1.185000      43.50774      -88.3  
1 1 1 30 9  26 o 0.2660000      1.216000      132.6059      173.5  
1 1 1 30 9  27 o 0.8604000      1.255000      119.9437      -19.4  
1 1 1 30 9  28 o 0.6900000      1.202000      140.3633      -168.9 
1 1 1 30 9  29 o -0.7055000     1.290000      59.52490      -113.6 
1 1 1 30 9  30 o -0.2191000     1.323000      28.30708      148.2  
1 1 1 30 9  31 o 0.2682000      1.213000      39.13146      28.5   
1 1 1 30 9  32 o 0.8767000      1.390000      95.15209      139.9  
1 1 1 30 9  33 o -0.4802000     1.301000      128.1904      19.5   
1 1 1 30 9  34 o 0.1127000E-01  1.332000      26.38309      27.8   
1 1 1 30 9  35 o 1.068000       1.259000      134.4429      57.2   
1 1 1 30 9  36 o 0.6720000      1.268000      70.89763      -147.2 
1 1 1 30 9  37 o -0.2778000     1.273000      129.6210      -156.9 
1 1 1 30 9  38 o 1.013000       1.247000      62.11915      -3.6   
1 1 1 30 9  39 o -1.372000      1.248000      80.45456      -140.7 
1 1 1 30 9  40 o 0.8812000      1.248000      72.05045      -34.2  
1 1 1 30 9  41 o 0.7692000E-01  1.267000      70.31641      168.8  
1 1 1 30 9  42 o -0.9513000     1.272000      38.05869      133.3  
1 1 1 30 9  43 o 0.4240000      1.267000      68.44357      137.7  
1 1 1 30 9  44 o 1.095000       1.449000      82.40782      72.9   
1 1 1 30 9  45 o -0.2672000     1.445000      64.34794      41.1   
1 1 1 30 9  46 o -3.203000      1.361000      ?             ?      
1 1 1 30 9  47 o 0.3043000      1.280000      ?             ?      
1 1 1 30 9  48 o 1.644000       1.205000      ?             ?      
1 1 1 30 9  49 o -0.5063000     1.203000      ?             ?      
1 1 1 30 9  50 o 1.612000       1.390000      ?             ?      
1 1 1 30 9  51 o 1.459000       1.390000      ?             ?      
1 1 1 30 9  52 f 0.6142000      1.269000      ?             ?      
1 1 1 30 9  53 o 1.346000       1.410000      ?             ?      
1 1 1 30 9  54 o -0.7553000     1.246000      ?             ?      
1 1 1 30 9  55 o 1.337000       1.264000      ?             ?      
1 1 1 30 9  56 o 1.584000       1.276000      ?             ?      
1 1 1 30 9  57 o 1.728000       1.199000      ?             ?      
1 1 1 30 9  58 o -0.3308000     1.191000      ?             ?      
1 1 1 30 9  59 o 1.434000       1.294000      ?             ?      
1 1 1 30 9  60 o 0.8457000      1.308000      ?             ?      
1 1 1 30 9  61 o 0.7977000      1.402000      ?             ?      
1 1 1 30 9  62 o 0.9945000      1.409000      ?             ?      
1 1 1 30 9  63 o -0.8541000     1.411000      ?             ?      
1 1 1 30 9  64 o -1.529000      1.289000      ?             ?      
1 1 1 30 10 0  o -0.8862000     1.436000      43.81660      -0.0   
1 1 1 30 10 1  o -0.6261000     1.025000      51.63775      111.7  
1 1 1 30 10 2  o -0.9479000     1.029000      78.16249      171.2  
1 1 1 30 10 3  o -1.698000      1.074000      76.45689      121.1  
1 1 1 30 10 4  o -0.7259000     1.091000      69.22849      -54.0  
1 1 1 30 10 5  o -1.770000      1.113000      89.46328      7.6    
1 1 1 30 10 6  o -1.426000      1.125000      33.31020      -174.4 
1 1 1 30 10 7  o 0.2755000      1.136000      125.3819      -19.2  
1 1 1 30 10 8  o -0.5893000E-01 1.102000      40.70918      -126.8 
1 1 1 30 10 9  o -0.2406000     1.106000      56.37212      169.1  
1 1 1 30 10 10 o -0.4654000E-01 1.109000      126.2099      -65.6  
1 1 1 30 10 11 o 1.424000       1.143000      61.92406      -133.2 
1 1 1 30 10 12 o 0.9726000      1.911000      62.34834      40.2   
1 1 1 30 10 13 o -0.8650000     1.156000      48.39551      -44.5  
1 1 1 30 10 14 o -3.393000      1.124000      59.72456      48.7   
1 1 1 30 10 15 o -2.067000      1.219000      70.99568      105.0  
1 1 1 30 10 16 o 1.170000       1.150000      51.22747      120.5  
1 1 1 30 10 17 o -1.112000      1.074000      61.93723      106.8  
1 1 1 30 10 18 o -1.083000      1.124000      98.38182      172.1  
1 1 1 30 10 19 o -0.7145000     1.174000      95.42570      -149.7 
1 1 1 30 10 20 o -1.616000      1.267000      88.35748      142.4  
1 1 1 30 10 21 o -1.665000      1.511000      31.96602      -72.1  
1 1 1 30 10 22 o -2.256000      1.261000      135.9837      -3.4   
1 1 1 30 10 23 o 1.665000       1.218000      108.8321      -115.7 
1 1 1 30 10 24 o -1.051000      1.108000      89.44612      -93.3  
1 1 1 30 10 25 o -0.3869000     1.217000      78.56780      120.1  
1 1 1 30 10 26 o -0.3288000     1.188000      38.22997      10.4   
1 1 1 30 10 27 o 0.8182000      1.245000      116.6520      -75.3  
1 1 1 30 10 28 o 0.4515000      1.303000      95.13262      -11.6  
1 1 1 30 10 29 o -0.9011000     1.163000      109.2248      -41.1  
1 1 1 30 10 30 o -1.209000      1.281000      63.26546      -162.0 
1 1 1 30 10 31 o 1.471000       1.219000      213.8474      -142.2 
1 1 1 30 10 32 o -1.900000      1.320000      71.28654      -159.2 
1 1 1 30 10 33 o 1.951000       1.339000      92.49419      47.3   
1 1 1 30 10 34 o 1.734000       1.325000      108.2684      -141.7 
1 1 1 30 10 35 o -0.8624000     1.261000      26.55653      78.4   
1 1 1 30 10 36 o -0.3626000     1.262000      55.11518      87.6   
1 1 1 30 10 37 o -1.188000      1.253000      89.53796      -82.1  
1 1 1 30 10 38 o 0.2046000      1.237000      39.91872      -65.4  
1 1 1 30 10 39 o 1.079000       1.251000      29.33414      173.6  
1 1 1 30 10 40 o -1.116000      1.254000      13.46782      135.9  
1 1 1 30 10 41 o -1.695000      1.279000      97.66714      139.8  
1 1 1 30 10 42 o -0.1594000     1.270000      27.55366      -79.0  
1 1 1 30 10 43 o -1.651000      1.349000      85.92504      -172.9 
1 1 1 30 10 44 o -0.4357000     1.427000      150.3970      -141.4 
1 1 1 30 10 45 o 4.032000       1.477000      ?             ?      
1 1 1 30 10 46 o 0.9612000      1.285000      ?             ?      
1 1 1 30 10 47 o 0.1030000      1.195000      ?             ?      
1 1 1 30 10 48 o -0.5852000     1.196000      ?             ?      
1 1 1 30 10 49 o -0.6932000     1.203000      ?             ?      
1 1 1 30 10 50 o 1.191000       1.213000      ?             ?      
1 1 1 30 10 51 o -1.661000      1.350000      ?             ?      
1 1 1 30 10 52 o 0.1039000      1.427000      ?             ?      
1 1 1 30 10 53 o 0.1734000      1.261000      ?             ?      
1 1 1 30 10 54 o -0.9036000     1.247000      ?             ?      
1 1 1 30 10 55 o 1.158000       1.322000      ?             ?      
1 1 1 30 10 56 o 1.245000       1.253000      ?             ?      
1 1 1 30 10 57 o 1.099000       1.190000      ?             ?      
1 1 1 30 10 58 o 1.873000       1.197000      ?             ?      
1 1 1 30 10 59 o -0.4640000     1.199000      ?             ?      
1 1 1 30 10 60 o -0.6140000     1.333000      ?             ?      
1 1 1 30 10 61 o -0.5496000     1.602000      ?             ?      
1 1 1 30 10 62 o 0.6897000      1.479000      ?             ?      
1 1 1 30 10 63 o 2.664000       1.418000      ?             ?      
1 1 1 30 10 64 o -0.1281000     1.338000      ?             ?      
1 1 1 30 11 0  o -2.960000      1.422000      6.000743      0.0    
1 1 1 30 11 1  o 0.7093000      1.012000      55.51483      154.5  
1 1 1 30 11 2  o -1.903000      1.103000      154.2971      -69.5  
1 1 1 30 11 3  o -2.158000      1.073000      21.42882      -8.3   
1 1 1 30 11 4  o -0.7304000     1.097000      66.01427      -95.2  
1 1 1 30 11 5  o 0.5405000      1.118000      118.2030      131.8  
1 1 1 30 11 6  o -0.3769000     1.124000      88.24918      -21.4  
1 1 1 30 11 7  o -0.8723000     1.108000      35.40063      -80.0  
1 1 1 30 11 8  o -1.478000      1.146000      32.86141      -164.5 
1 1 1 30 11 9  o -0.3504000     1.145000      32.60986      -175.1 
1 1 1 30 11 10 o 0.1579000      1.118000      74.57127      32.8   
1 1 1 30 11 11 o 0.1183000      1.094000      84.74502      2.7    
1 1 1 30 11 12 o -1.418000      1.115000      114.5947      13.6   
1 1 1 30 11 13 o -0.2842000     1.215000      34.08689      -176.0 
1 1 1 30 11 14 o -1.990000      1.254000      37.54676      87.0   
1 1 1 30 11 15 o -2.184000      1.045000      62.51146      178.0  
1 1 1 30 11 16 o -0.7979000     1.064000      52.18223      -63.8  
1 1 1 30 11 17 o -1.811000      1.055000      59.62708      -99.9  
1 1 1 30 11 18 o -0.1261000     1.140000      19.14142      -45.2  
1 1 1 30 11 19 o 0.5916000      1.237000      51.82009      47.1   
1 1 1 30 11 20 o -0.9401000     1.356000      37.63734      44.9   
1 1 1 30 11 21 o -0.2949000     1.378000      58.18161      -104.3 
1 1 1 30 11 22 o -0.4412000     1.340000      40.74772      -114.0 
1 1 1 30 11 23 o 1.027000       1.176000      90.67616      43.1   
1 1 1 30 11 24 o -1.190000      1.164000      79.43832      -178.7 
1 1 1 30 11 25 o -0.3362000     1.171000      89.46651      -119.1 
1 1 1 30 11 26 o -2.053000      1.183000      40.95133      149.6  
1 1 1 30 11 27 o -0.1795000     1.223000      45.14051      -23.4  
1 1 1 30 11 28 o 1.105000       1.278000      6.709684      153.8  
1 1 1 30 11 29 o 0.7426000      1.127000      35.34534      24.2   
1 1 1 30 11 30 o -1.917000      1.145000      32.86448      66.8   
1 1 1 30 11 31 o -0.7898000     1.214000      76.57857      25.6   
1 1 1 30 11 32 o 1.588000       1.264000      32.90185      -153.6 
1 1 1 30 11 33 o 0.2642000      1.437000      103.2425      6.3    
1 1 1 30 11 34 o -0.6347000     1.347000      66.91182      38.0   
1 1 1 30 11 35 o -1.911000      1.352000      70.56802      -7.3   
1 1 1 30 11 36 o -0.9004000     1.266000      42.16326      -129.5 
1 1 1 30 11 37 o -1.049000      1.238000      27.31947      133.5  
1 1 1 30 11 38 o -1.049000      1.237000      57.74300      79.7   
1 1 1 30 11 39 o -1.581000      1.245000      36.50388      37.0   
1 1 1 30 11 40 o -1.486000      1.257000      37.06344      -134.3 
1 1 1 30 11 41 o 0.1183000      1.271000      21.10659      172.4  
1 1 1 30 11 42 o -0.2251000     1.249000      27.34013      -121.6 
1 1 1 30 11 43 o 0.2629000E-01  1.391000      55.94195      16.0   
1 1 1 30 11 44 o 0.6649000      1.491000      34.65590      29.0   
1 1 1 30 11 45 o 0.5464000      1.354000      ?             ?      
1 1 1 30 11 46 o -0.2184000     1.267000      ?             ?      
1 1 1 30 11 47 o 0.7506000      1.189000      ?             ?      
1 1 1 30 11 48 o -0.5944000     1.188000      ?             ?      
1 1 1 30 11 49 o 0.2012000      1.196000      ?             ?      
1 1 1 30 11 50 o 0.4465000E-01  1.176000      ?             ?      
1 1 1 30 11 51 o 0.5636000      1.347000      ?             ?      
1 1 1 30 11 52 o 0.8494000      1.421000      ?             ?      
1 1 1 30 11 53 o 1.915000       1.257000      ?             ?      
1 1 1 30 11 54 o 0.4089000      1.248000      ?             ?      
1 1 1 30 11 55 o 0.5566000      1.251000      ?             ?      
1 1 1 30 11 56 o -1.187000      1.248000      ?             ?      
1 1 1 30 11 57 o -1.329000      1.264000      ?             ?      
1 1 1 30 11 58 o 0.1931000      1.203000      ?             ?      
1 1 1 30 11 59 o -1.016000      1.198000      ?             ?      
1 1 1 30 11 60 o 0.7728000      1.347000      ?             ?      
1 1 1 30 11 61 o 0.2277000      2.135000      ?             ?      
1 1 1 30 11 62 o 2.937000       1.429000      ?             ?      
1 1 1 30 11 63 o 0.5686000      1.363000      ?             ?      
1 1 1 30 12 0  o -2.054000      1.436000      47.44101      -180.0 
1 1 1 30 12 1  o -0.7880000     1.013000      69.20998      24.8   
1 1 1 30 12 2  o -0.5536000     1.076000      72.54124      -173.2 
1 1 1 30 12 3  o -1.613000      1.069000      110.8187      29.3   
1 1 1 30 12 4  o -1.947000      1.101000      110.1380      96.7   
1 1 1 30 12 5  o -1.327000      1.126000      121.4031      -137.0 
1 1 1 30 12 6  o -1.289000      1.148000      64.77621      -158.3 
1 1 1 30 12 7  o 1.146000       1.125000      120.7994      107.9  
1 1 1 30 12 8  o -0.1848000     1.102000      98.74718      -103.4 
1 1 1 30 12 9  o -0.4869000     1.124000      74.98371      85.4   
1 1 1 30 12 10 o 0.9113000      1.589000      71.23986      150.4  
1 1 1 30 12 11 o -0.7781000     1.161000      33.07329      -8.9   
1 1 1 30 12 12 o -0.5886000     1.091000      69.73866      53.5   
1 1 1 30 12 13 o -0.5683000     1.113000      1.431578      -34.6  
1 1 1 30 12 14 o -1.469000      1.130000      96.86945      32.7   
1 1 1 30 12 15 o 0.3094000E-01  1.056000      51.79187      136.4  
1 1 1 30 12 16 o -0.9585000     1.053000      70.26933      53.7   
1 1 1 30 12 17 o -0.4084000     1.158000      96.01942      -109.7 
1 1 1 30 12 18 o -1.513000      1.247000      194.0682      -124.4 
1 1 1 30 12 19 o -2.163000      1.457000      88.88200      164.5  
1 1 1 30 12 20 o -2.124000      1.482000      65.38746      -30.7  
1 1 1 30 12 21 o -2.082000      1.281000      69.11219      -44.7  
1 1 1 30 12 22 o 1.095000       1.377000      47.14780      1.7    
1 1 1 30 12 23 o 0.6365000      1.103000      113.4448      -53.6  
1 1 1 30 12 24 o -0.8289000     1.064000      150.9130      -38.0  
1 1 1 30 12 25 o -1.177000      1.059000      39.79879      -91.1  
1 1 1 30 12 26 o -0.7163000E-01 1.190000      67.70398      64.1   
1 1 1 30 12 27 o -1.701000      1.212000      27.65254      46.6   
1 1 1 30 12 28 o -0.2932000     1.265000      70.82104      -138.5 
1 1 1 30 12 29 o -0.1363000     1.132000      116.2993      140.9  
1 1 1 30 12 30 o -1.275000      1.115000      96.05510      168.6  
1 1 1 30 12 31 o -0.5876000     1.200000      88.49677      -87.6  
1 1 1 30 12 32 o -2.478000      1.243000      52.40128      96.2   
1 1 1 30 12 33 o 0.5403000E-01  1.381000      121.0332      -40.1  
1 1 1 30 12 34 o -1.283000      1.359000      79.21108      157.7  
1 1 1 30 12 35 o 1.037000       1.397000      76.38683      -92.5  
1 1 1 30 12 36 o 0.4753000      1.295000      120.8622      -143.1 
1 1 1 30 12 37 o -0.2710000     1.265000      172.7303      -101.0 
1 1 1 30 12 38 o -0.8845000     1.215000      41.07209      45.1   
1 1 1 30 12 39 o 0.3692000      1.231000      50.98928      155.9  
1 1 1 30 12 40 o -1.457000      1.266000      60.78368      152.8  
1 1 1 30 12 41 o 1.992000       1.279000      103.8426      -176.4 
1 1 1 30 12 42 o -0.6280000E-01 1.342000      159.3348      111.7  
1 1 1 30 12 43 o -0.8939000E-01 1.378000      68.13210      -114.7 
1 1 1 30 12 44 o 0.4775000      1.451000      73.79302      -126.9 
1 1 1 30 12 45 o 0.3755000      1.343000      ?             ?      
1 1 1 30 12 46 o -0.2139000     1.190000      ?             ?      
1 1 1 30 12 47 o -0.8684000     1.186000      ?             ?      
1 1 1 30 12 48 o -0.7828000E-01 1.174000      ?             ?      
1 1 1 30 12 49 o 0.4272000      1.172000      ?             ?      
1 1 1 30 12 50 o 0.6147000      1.153000      ?             ?      
1 1 1 30 12 51 o 0.2475000      1.336000      ?             ?      
1 1 1 30 12 52 o -1.229000      1.346000      ?             ?      
1 1 1 30 12 53 o 0.5078000      1.250000      ?             ?      
1 1 1 30 12 54 o -0.9509000     1.240000      ?             ?      
1 1 1 30 12 55 o 0.2785000E-02  1.244000      ?             ?      
1 1 1 30 12 56 o -0.9459000     1.328000      ?             ?      
1 1 1 30 12 57 o 0.5757000      1.262000      ?             ?      
1 1 1 30 12 58 o 1.625000       1.205000      ?             ?      
1 1 1 30 12 59 o -1.958000      1.320000      ?             ?      
1 1 1 30 12 60 o 2.688000       1.432000      ?             ?      
1 1 1 30 12 61 o -1.721000      1.482000      ?             ?      
1 1 1 30 12 62 o -0.4478000     1.353000      ?             ?      
1 1 1 30 12 63 o -0.3752000     1.268000      ?             ?      
1 1 1 30 13 0  o 0.7404000      1.445000      11.86909      -180.0 
1 1 1 30 13 1  o 0.4239000      1.030000      163.5336      -147.8 
1 1 1 30 13 2  o -0.4940000     1.063000      65.96426      98.0   
1 1 1 30 13 3  o -0.7848000     1.113000      115.8272      -74.5  
1 1 1 30 13 4  o -0.5380000     1.135000      145.3185      -117.4 
1 1 1 30 13 5  o -1.413000      1.126000      171.1386      -123.4 
1 1 1 30 13 6  o -2.055000      1.099000      131.5348      -32.0  
1 1 1 30 13 7  o -0.1349000     1.111000      29.80566      92.5   
1 1 1 30 13 8  o 0.4793000      1.197000      189.5260      -89.8  
1 1 1 30 13 9  o -1.193000      1.160000      126.4774      -103.8 
1 1 1 30 13 10 o 0.2227000      1.067000      168.1478      35.7   
1 1 1 30 13 11 o -0.8364000     1.080000      71.18665      8.3    
1 1 1 30 13 12 o 0.1092000      1.077000      48.00541      120.0  
1 1 1 30 13 13 o -0.4181000     1.094000      82.64484      -178.4 
1 1 1 30 13 14 o -0.7158000     1.132000      120.9172      -87.2  
1 1 1 30 13 15 o -0.7993000     1.191000      52.61857      -141.4 
1 1 1 30 13 16 o -1.392000      1.181000      90.60456      26.9   
1 1 1 30 13 17 o -0.7884000     1.200000      151.5819      -56.9  
1 1 1 30 13 18 o 0.4262000      1.260000      70.30323      95.3   
1 1 1 30 13 19 o -2.778000      1.463000      114.0422      -55.6  
1 1 1 30 13 20 o -2.351000      1.452000      34.02047      29.3   
1 1 1 30 13 21 o 1.797000       1.246000      225.3689      45.4   
1 1 1 30 13 22 o -0.3958000     1.164000      84.29858      166.5  
1 1 1 30 13 23 o 0.2359000      1.071000      128.2252      64.7   
1 1 1 30 13 24 o 0.5945000      1.051000      41.48042      35.1   
1 1 1 30 13 25 o -0.3886000     1.056000      89.31390      -87.8  
1 1 1 30 13 26 o 1.465000       1.202000      171.7645      -164.0 
1 1 1 30 13 27 o 0.4548000      1.216000      16.49358      139.1  
1 1 1 30 13 28 o 1.298000       1.293000      46.16406      -161.2 
1 1 1 30 13 29 o 0.7750000      1.151000      180.1916      43.7   
1 1 1 30 13 30 o 0.1490000      1.126000      86.83836      -127.8 
1 1 1 30 13 31 o -1.254000      1.162000      187.5008      143.0  
1 1 1 30 13 32 o 1.198000       1.224000      51.60417      134.0  
1 1 1 30 13 33 o 0.4712000      1.273000      22.92419      129.4  
1 1 1 30 13 34 o 1.511000       1.499000      166.6219      9.3    
1 1 1 30 13 35 o -1.123000      1.369000      64.39214      -52.5  
1 1 1 30 13 36 o -1.271000      1.391000      218.6678      24.2   
1 1 1 30 13 37 o 0.2592000      1.237000      200.3872      -165.6 
1 1 1 30 13 38 o -2.376000      1.216000      117.7781      83.0   
1 1 1 30 13 39 o 0.4788000      1.236000      88.17119      62.6   
1 1 1 30 13 40 o 2.452000       1.286000      158.7865      -106.7 
1 1 1 30 13 41 o 0.2481000      1.260000      73.50799      170.1  
1 1 1 30 13 42 o -0.6515000     1.387000      94.60574      -128.4 
1 1 1 30 13 43 o -0.8807000     1.470000      23.33543      -16.0  
1 1 1 30 13 44 o 1.615000       1.359000      ?             ?      
1 1 1 30 13 45 o 0.1695000E-01  1.223000      ?             ?      
1 1 1 30 13 46 o -0.1342000     1.192000      ?             ?      
1 1 1 30 13 47 o -0.3562000     1.178000      ?             ?      
1 1 1 30 13 48 o 0.6442000      1.154000      ?             ?      
1 1 1 30 13 49 o -0.7711000E-01 1.134000      ?             ?      
1 1 1 30 13 50 o -0.4532000E-01 1.146000      ?             ?      
1 1 1 30 13 51 o 0.1986000      1.159000      ?             ?      
1 1 1 30 13 52 o -1.503000      1.346000      ?             ?      
1 1 1 30 13 53 o 1.911000       1.421000      ?             ?      
1 1 1 30 13 54 o 1.788000       1.242000      ?             ?      
1 1 1 30 13 55 o -0.3170000     1.255000      ?             ?      
1 1 1 30 13 56 o -0.5119000     1.264000      ?             ?      
1 1 1 30 13 57 o -1.694000      1.259000      ?             ?      
1 1 1 30 13 58 f 0.2876000      1.283000      ?             ?      
1 1 1 30 13 59 o 0.7260000      1.356000      ?             ?      
1 1 1 30 13 60 o -0.6955000     1.524000      ?             ?      
1 1 1 30 13 61 o -0.4170000     1.420000      ?             ?      
1 1 1 30 13 62 o -0.1033000     1.254000      ?             ?      
1 1 1 30 13 63 o -1.703000      1.257000      ?             ?      
1 1 1 30 14 0  o 2.075000       1.513000      65.13161      180.0  
1 1 1 30 14 1  o 2.192000       1.175000      268.6091      -128.3 
1 1 1 30 14 2  o 3.144000       1.083000      234.2148      24.0   
1 1 1 30 14 3  o 4.271000       1.107000      316.1770      -14.6  
1 1 1 30 14 4  o 1.009000       1.120000      91.72148      -124.7 
1 1 1 30 14 5  o 0.4117000      1.193000      191.3390      -106.3 
1 1 1 30 14 6  o 1.404000       1.168000      160.3358      -150.6 
1 1 1 30 14 7  o 2.709000       1.120000      330.0669      58.1   
1 1 1 30 14 8  o 1.296000       1.099000      87.96254      178.9  
1 1 1 30 14 9  o -0.2365000     1.077000      46.58830      77.0   
1 1 1 30 14 10 o 0.3815000      1.049000      72.19479      -114.4 
1 1 1 30 14 11 o -1.452000      1.059000      63.51172      -74.3  
1 1 1 30 14 12 o -0.6310000     1.107000      219.3406      129.2  
1 1 1 30 14 13 o 6.821000       1.203000      437.1077      -8.5   
1 1 1 30 14 14 o -1.163000      1.238000      217.4709      14.4   
1 1 1 30 14 15 o 4.675000       1.202000      354.2994      102.4  
1 1 1 30 14 16 o -0.9378000     1.539000      69.46709      69.6   
1 1 1 30 14 17 o 3.586000       1.330000      254.9295      -97.0  
1 1 1 30 14 18 o 3.626000       1.356000      190.6896      35.4   
1 1 1 30 14 19 o 2.908000       1.280000      208.2247      102.3  
1 1 1 30 14 20 o 3.828000       1.333000      266.5629      168.8  
1 1 1 30 14 21 o 2.551000       1.174000      119.6960      -91.3  
1 1 1 30 14 22 o -1.557000      1.064000      25.51575      -55.4  
1 1 1 30 14 23 o 2.401000       1.065000      219.1896      -1.5   
1 1 1 30 14 24 o -0.6590000     1.051000      250.0121      -14.2  
1 1 1 30 14 25 o 2.352000       1.072000      98.38532      -25.8  
1 1 1 30 14 26 o 0.8560000      1.242000      64.59246      9.7    
1 1 1 30 14 27 o -0.2911000     1.236000      133.9552      176.8  
1 1 1 30 14 28 o 0.4411000      1.284000      247.1650      -141.0 
1 1 1 30 14 29 o 0.1993000      1.320000      38.56890      -51.3  
1 1 1 30 14 30 o 0.2558000E-01  1.137000      151.3967      -135.8 
1 1 1 30 14 31 o 0.1042000      1.153000      30.18226      -59.9  
1 1 1 30 14 32 o -1.679000      1.192000      92.90411      -104.2 
1 1 1 30 14 33 o 1.052000       1.235000      72.17503      -132.0 
1 1 1 30 14 34 o 0.6401000      1.312000      238.4432      -177.0 
1 1 1 30 14 35 o -1.379000      1.474000      41.84557      163.8  
1 1 1 30 14 36 o 1.193000       1.337000      61.74710      -97.5  
1 1 1 30 14 37 o 2.024000       1.237000      88.30191      173.6  
1 1 1 30 14 38 o 3.061000       1.247000      312.8455      -125.4 
1 1 1 30 14 39 o 0.5234000      1.250000      101.7651      175.6  
1 1 1 30 14 40 o 3.121000       1.292000      210.5266      -165.4 
1 1 1 30 14 41 o 0.3659000E-01  1.268000      153.2936      -103.1 
1 1 1 30 14 42 o -0.7849000     1.393000      35.02046      -112.1 
1 1 1 30 14 43 o 0.1579000      1.436000      86.12008      -29.3  
1 1 1 30 14 44 o 2.063000       1.357000      ?             ?      
1 1 1 30 14 45 o -0.6608000     1.201000      ?             ?      
1 1 1 30 14 46 o 0.5595000      1.199000      ?             ?      
1 1 1 30 14 47 o -2.142000      1.171000      ?             ?      
1 1 1 30 14 48 o -0.4046000     1.146000      ?             ?      
1 1 1 30 14 49 o -0.9617000     1.121000      ?             ?      
1 1 1 30 14 50 o -1.769000      1.131000      ?             ?      
1 1 1 30 14 51 o 1.185000       1.175000      ?             ?      
1 1 1 30 14 52 o -0.8794000     1.343000      ?             ?      
1 1 1 30 14 53 o 1.745000       1.414000      ?             ?      
1 1 1 30 14 54 o 0.8447000      1.236000      ?             ?      
1 1 1 30 14 55 f 0.2634000      1.156000      ?             ?      
1 1 1 30 14 56 o 1.571000       1.270000      ?             ?      
1 1 1 30 14 57 o -1.984000      1.336000      ?             ?      
1 1 1 30 14 58 o 2.913000       1.312000      ?             ?      
1 1 1 30 14 59 o 0.7228000      1.420000      ?             ?      
1 1 1 30 14 60 o 0.9495000      1.505000      ?             ?      
1 1 1 30 14 61 o -1.345000      1.386000      ?             ?      
1 1 1 30 14 62 o -0.4178000     1.241000      ?             ?      
1 1 1 30 14 63 o -0.8863000     1.258000      ?             ?      
1 1 1 30 15 0  o 0.9277000      1.392000      125.8374      -180.0 
1 1 1 30 15 1  o -0.2204000     1.060000      46.72657      102.7  
1 1 1 30 15 2  o 3.218000       1.194000      219.8746      21.5   
1 1 1 30 15 3  o 1.584000       1.147000      141.0212      -26.6  
1 1 1 30 15 4  o 4.366000       1.102000      225.1325      -69.2  
1 1 1 30 15 5  o -0.9190000E-01 1.065000      226.9223      -61.6  
1 1 1 30 15 6  o -1.582000      1.086000      58.41712      81.5   
1 1 1 30 15 7  o 5.497000       1.126000      398.7256      -51.5  
1 1 1 30 15 8  o 0.6127000      1.078000      71.36400      144.8  
1 1 1 30 15 9  o 1.080000       1.057000      46.05957      119.9  
1 1 1 30 15 10 o 2.610000       1.097000      159.8787      -20.0  
1 1 1 30 15 11 o 1.584000       1.134000      78.38038      -31.2  
1 1 1 30 15 12 o -0.4466000     1.107000      107.3936      130.0  
1 1 1 30 15 13 o -1.089000      1.090000      14.62211      -43.8  
1 1 1 30 15 14 o 2.583000       1.324000      210.5946      -0.1   
1 1 1 30 15 15 o 3.404000       1.557000      172.9209      22.0   
1 1 1 30 15 16 o 1.140000       1.372000      27.38177      122.0  
1 1 1 30 15 17 o 0.5215000E-01  1.503000      80.91991      176.4  
1 1 1 30 15 18 o 0.3636000      1.241000      280.3033      -103.8 
1 1 1 30 15 19 o 1.482000       1.321000      68.04994      69.2   
1 1 1 30 15 20 o -0.6353000     1.226000      26.14990      94.4   
1 1 1 30 15 21 o 0.2586000      1.127000      60.09911      19.8   
1 1 1 30 15 22 o 0.1711000      1.038000      172.2862      98.1   
1 1 1 30 15 23 o 2.671000       1.052000      293.5906      50.6   
1 1 1 30 15 24 o 4.206000       1.085000      306.8571      75.9   
1 1 1 30 15 25 f 0.3221000      1.084000      110.4046      -158.5 
1 1 1 30 15 26 o 10.86000       1.349000      347.9456      -124.4 
1 1 1 30 15 27 o 6.114000       1.334000      440.0057      14.1   
1 1 1 30 15 28 o 2.038000       1.289000      225.3864      -9.6   
1 1 1 30 15 29 o 3.212000       1.338000      270.9058      -13.3  
1 1 1 30 15 30 o 1.118000       1.156000      91.05160      -83.6  
1 1 1 30 15 31 o 1.955000       1.178000      194.0569      120.4  
1 1 1 30 15 32 o 3.663000       1.137000      330.3623      12.4   
1 1 1 30 15 33 o 2.605000       1.219000      141.7037      -63.2  
1 1 1 30 15 34 o -0.4515000E-01 1.255000      179.9889      -46.5  
1 1 1 30 15 35 o -1.866000      1.425000      128.7549      -67.9  
1 1 1 30 15 36 o 2.060000       1.294000      126.2293      -10.8  
1 1 1 30 15 37 o 3.487000       1.279000      221.5949      -70.4  
1 1 1 30 15 38 o -0.7718000E-01 1.224000      110.3419      -129.8 
1 1 1 30 15 39 o 3.890000       1.265000      356.1432      -35.0  
1 1 1 30 15 40 o 1.493000       1.237000      124.7752      -92.6  
1 1 1 30 15 41 o 0.9868000      1.369000      114.5597      123.7  
1 1 1 30 15 42 o 0.6156000      1.468000      128.6944      15.8   
1 1 1 30 15 43 o 2.603000       1.355000      ?             ?      
1 1 1 30 15 44 o 0.5514000      1.208000      ?             ?      
1 1 1 30 15 45 o 1.369000       1.193000      ?             ?      
1 1 1 30 15 46 o 0.4810000      1.192000      ?             ?      
1 1 1 30 15 47 o 3.285000       1.190000      ?             ?      
1 1 1 30 15 48 o 0.3278000      1.154000      ?             ?      
1 1 1 30 15 49 o -1.005000      1.110000      ?             ?      
1 1 1 30 15 50 o 1.235000       1.141000      ?             ?      
1 1 1 30 15 51 o 3.278000       1.163000      ?             ?      
1 1 1 30 15 52 o -2.080000      1.326000      ?             ?      
1 1 1 30 15 53 o 1.460000       1.332000      ?             ?      
1 1 1 30 15 54 o 0.1572000      1.240000      ?             ?      
1 1 1 30 15 55 o -0.4910000     1.241000      ?             ?      
1 1 1 30 15 56 o -0.8292000     1.249000      ?             ?      
1 1 1 30 15 57 o 0.1912000      1.296000      ?             ?      
1 1 1 30 15 58 o 2.271000       1.444000      ?             ?      
1 1 1 30 15 59 o -1.757000      1.685000      ?             ?      
1 1 1 30 15 60 o -0.5035000     1.395000      ?             ?      
1 1 1 30 15 61 o -0.9630000E-01 1.262000      ?             ?      
1 1 1 30 15 62 o -1.557000      1.747000      ?             ?      
1 1 1 30 16 0  o -3.973000      1.844000      54.32594      180.0  
1 1 1 30 16 1  o -0.4799000E-01 1.129000      99.20113      -30.3  
1 1 1 30 16 2  o 3.543000       1.057000      164.6246      140.6  
1 1 1 30 16 3  o 2.908000       1.074000      150.3728      42.1   
1 1 1 30 16 4  o 1.426000       1.071000      34.58039      47.5   
1 1 1 30 16 5  o 8.963000       1.140000      370.1865      -85.2  
1 1 1 30 16 6  o 4.206000       1.113000      136.9112      151.5  
1 1 1 30 16 7  o 3.128000       1.157000      198.1340      31.5   
1 1 1 30 16 8  o 1.544000       1.142000      59.57203      -116.0 
1 1 1 30 16 9  o -0.7047000     1.092000      106.4868      -127.3 
1 1 1 30 16 10 o 1.081000       1.066000      56.97411      -114.6 
1 1 1 30 16 11 o 1.342000       1.136000      132.2711      -147.1 
1 1 1 30 16 12 o -0.7426000     1.173000      75.62289      -168.7 
1 1 1 30 16 13 o 14.45000       1.219000      442.7277      31.7   
1 1 1 30 16 14 o 5.112000       1.312000      454.7795      113.9  
1 1 1 30 16 15 o 14.08000       1.710000      530.6998      112.2  
1 1 1 30 16 16 o 1.983000       1.361000      214.6955      -143.2 
1 1 1 30 16 17 o 2.817000       1.417000      184.1578      -84.2  
1 1 1 30 16 18 o 5.356000       1.285000      238.3645      62.9   
1 1 1 30 16 19 o 2.795000       1.322000      353.4493      72.1   
1 1 1 30 16 20 o 8.141000       1.219000      342.5124      169.4  
1 1 1 30 16 21 o -0.2007000     1.141000      236.3648      -9.8   
1 1 1 30 16 22 o 1.678000       1.061000      206.1931      158.1  
1 1 1 30 16 23 o 1.937000       1.048000      296.9492      -165.3 
1 1 1 30 16 24 f 7.419000       1.097000      375.4749      -71.8  
1 1 1 30 16 25 o 10.09000       1.131000      467.0674      -15.9  
1 1 1 30 16 26 o 3.275000       1.100000      227.9925      117.6  
1 1 1 30 16 27 o 1.232000       1.284000      136.2764      157.0  
1 1 1 30 16 28 o -2.380000      1.267000      91.27599      -177.2 
1 1 1 30 16 29 o 0.8722000      1.325000      158.1660      -1.2   
1 1 1 30 16 30 o 4.231000       1.183000      238.4879      149.0  
1 1 1 30 16 31 o 3.679000       1.181000      254.1913      116.7  
1 1 1 30 16 32 o 1.371000       1.106000      177.4524      -66.5  
1 1 1 30 16 33 o 4.244000       1.114000      266.2238      84.5   
1 1 1 30 16 34 o 0.5489000      1.232000      202.9267      -109.3 
1 1 1 30 16 35 o 5.379000       1.278000      219.2386      47.3   
1 1 1 30 16 36 o -0.1561000     1.375000      138.4031      53.5   
1 1 1 30 16 37 o 2.049000       1.249000      172.5333      -67.2  
1 1 1 30 16 38 o -1.675000      1.273000      68.89429      170.6  
1 1 1 30 16 39 o 1.354000       1.224000      230.9803      35.5   
1 1 1 30 16 40 o 2.503000       1.227000      200.7619      152.3  
1 1 1 30 16 41 o 2.775000       1.369000      222.6890      -55.1  
1 1 1 30 16 42 o 1.664000       1.565000      106.5881      134.5  
1 1 1 30 16 43 o -1.338000      1.326000      ?             ?      
1 1 1 30 16 44 o 0.8395000      1.182000      ?             ?      
1 1 1 30 16 45 o 1.994000       1.197000      ?             ?      
1 1 1 30 16 46 o 0.3964000      1.182000      ?             ?      
1 1 1 30 16 47 o 0.7026000      1.157000      ?             ?      
1 1 1 30 16 48 o 0.7865000E-01  1.116000      ?             ?      
1 1 1 30 16 49 o 0.4313000      1.115000      ?             ?      
1 1 1 30 16 50 o 0.8022000      1.132000      ?             ?      
1 1 1 30 16 51 o 0.3039000      1.146000      ?             ?      
1 1 1 30 16 52 o 0.2970000      1.146000      ?             ?      
1 1 1 30 16 53 o 0.9150000      1.341000      ?             ?      
1 1 1 30 16 54 o 2.112000       1.444000      ?             ?      
1 1 1 30 16 55 o 2.164000       1.251000      ?             ?      
1 1 1 30 16 56 o -0.1141000     1.183000      ?             ?      
1 1 1 30 16 57 o 2.749000       1.315000      ?             ?      
1 1 1 30 16 58 o 0.1025000      1.681000      ?             ?      
1 1 1 30 16 59 o -1.936000      2.059000      ?             ?      
1 1 1 30 16 60 o 0.8327000      1.406000      ?             ?      
1 1 1 30 16 61 o 3.254000       1.286000      ?             ?      
1 1 1 30 16 62 o 2.396000       1.273000      ?             ?      
1 1 1 30 17 0  o -2.207000      1.591000      195.8309      0.0    
1 1 1 30 17 1  o 3.331000       1.028000      295.5258      -26.2  
1 1 1 30 17 2  o 2.355000       1.041000      184.6376      132.5  
1 1 1 30 17 3  o 14.30000       1.253000      440.0958      -20.6  
1 1 1 30 17 4  o 3.926000       1.190000      330.9135      -42.0  
1 1 1 30 17 5  o 1.806000       1.120000      167.2702      -34.7  
1 1 1 30 17 6  o 9.699000       1.258000      475.9568      5.7    
1 1 1 30 17 7  o 11.63000       1.194000      438.9768      -30.5  
1 1 1 30 17 8  o 15.38000       1.210000      515.9376      107.6  
1 1 1 30 17 9  o 0.4737000      1.143000      111.0255      -67.0  
1 1 1 30 17 10 o 9.240000       1.199000      327.0658      -38.5  
1 1 1 30 17 11 o 2.924000       1.095000      198.5175      -10.2  
1 1 1 30 17 12 o 4.401000       1.101000      290.0358      136.9  
1 1 1 30 17 13 o 4.605000       1.099000      261.7669      -119.0 
1 1 1 30 17 14 o 1.587000       1.187000      247.5726      -124.5 
1 1 1 30 17 15 o 1.083000       1.357000      158.4207      -21.8  
1 1 1 30 17 16 o 2.523000       1.403000      211.7002      132.0  
1 1 1 30 17 17 o 2.562000       1.261000      253.3886      -51.0  
1 1 1 30 17 18 o 2.407000       1.380000      314.2865      -147.4 
1 1 1 30 17 19 o 12.45000       1.305000      499.3129      129.6  
1 1 1 30 17 20 o 0.7170000      1.142000      117.5014      155.2  
1 1 1 30 17 21 o 4.810000       1.096000      278.7461      -119.4 
1 1 1 30 17 22 o 3.992000       1.080000      195.6156      74.1   
1 1 1 30 17 23 o 2.670000       1.057000      214.4816      42.6   
1 1 1 30 17 24 o 6.940000       1.092000      210.5478      44.4   
1 1 1 30 17 25 o 3.780000       1.048000      110.3750      -136.9 
1 1 1 30 17 26 o -0.8600000     1.034000      67.73616      165.8  
1 1 1 30 17 27 o 2.813000       1.288000      201.2420      25.8   
1 1 1 30 17 28 o 8.695000       1.344000      332.5333      -31.8  
1 1 1 30 17 29 o 8.114000       1.505000      433.5336      -89.7  
1 1 1 30 17 30 o 7.583000       1.215000      334.7763      153.1  
1 1 1 30 17 31 o -1.277000      1.138000      61.94497      125.1  
1 1 1 30 17 32 o 3.726000       1.170000      324.8768      -21.7  
1 1 1 30 17 33 o 1.172000       1.087000      164.4466      -66.7  
1 1 1 30 17 34 o 3.001000       1.207000      160.9874      -130.0 
1 1 1 30 17 35 o 0.2596000      1.199000      134.1745      19.2   
1 1 1 30 17 36 o 0.7837000      1.355000      73.84607      85.8   
1 1 1 30 17 37 o 6.781000       1.304000      316.5455      -170.2 
1 1 1 30 17 38 o -1.470000      1.278000      152.3062      149.0  
1 1 1 30 17 39 o 4.546000       1.177000      280.2430      -86.7  
1 1 1 30 17 40 o 0.9803000      1.329000      136.1579      156.8  
1 1 1 30 17 41 o -0.3165000     1.482000      126.8939      -155.4 
1 1 1 30 17 42 o 0.9020000      1.308000      ?             ?      
1 1 1 30 17 43 o 2.912000       1.208000      ?             ?      
1 1 1 30 17 44 o 0.8295000      1.182000      ?             ?      
1 1 1 30 17 45 o -1.229000      1.171000      ?             ?      
1 1 1 30 17 46 o 1.612000       1.155000      ?             ?      
1 1 1 30 17 47 o 1.253000       1.141000      ?             ?      
1 1 1 30 17 48 o 1.553000       1.114000      ?             ?      
1 1 1 30 17 49 o 0.4821000      1.101000      ?             ?      
1 1 1 30 17 50 o 1.040000       1.148000      ?             ?      
1 1 1 30 17 51 o 0.2080000      1.135000      ?             ?      
1 1 1 30 17 52 o -2.806000      1.123000      ?             ?      
1 1 1 30 17 53 o 0.9717000      1.334000      ?             ?      
1 1 1 30 17 54 o -0.2768000E-01 1.427000      ?             ?      
1 1 1 30 17 55 o -0.4770000     1.251000      ?             ?      
1 1 1 30 17 56 o -0.9030000     1.184000      ?             ?      
1 1 1 30 17 57 o 2.633000       1.526000      ?             ?      
1 1 1 30 17 58 o -2.358000      1.557000      ?             ?      
1 1 1 30 17 59 o 0.2494000      1.517000      ?             ?      
1 1 1 30 17 60 o 0.9431000      1.361000      ?             ?      
1 1 1 30 17 61 o 1.453000       1.273000      ?             ?      
1 1 1 30 17 62 o 1.471000       1.389000      ?             ?      
1 1 1 30 18 0  o 7.232000       1.451000      449.9348      -0.0   
1 1 1 30 18 1  o 2.799000       1.029000      336.6504      108.6  
1 1 1 30 18 2  o 12.10000       1.146000      391.7444      104.0  
1 1 1 30 18 3  o 10.65000       1.197000      485.9468      80.8   
1 1 1 30 18 4  o 15.83000       1.164000      455.0920      129.0  
1 1 1 30 18 5  o 4.699000       1.081000      351.3324      168.0  
1 1 1 30 18 6  o 0.1869000      1.266000      185.7374      145.9  
1 1 1 30 18 7  o 0.2196000E-01  1.319000      239.6661      -169.3 
1 1 1 30 18 8  o 2.063000       1.118000      165.9072      109.9  
1 1 1 30 18 9  o 10.21000       1.169000      396.1348      139.5  
1 1 1 30 18 10 o 1.879000       1.095000      41.14190      -36.6  
1 1 1 30 18 11 o -1.231000      1.058000      149.6425      -107.6 
1 1 1 30 18 12 o 5.245000       1.101000      312.3543      -1.6   
1 1 1 30 18 13 o 1.391000       1.194000      150.5779      -162.3 
1 1 1 30 18 14 o 1.778000       1.250000      269.3345      14.8   
1 1 1 30 18 15 o 4.141000       1.396000      325.4564      167.1  
1 1 1 30 18 16 o 5.211000       1.321000      368.5142      -163.5 
1 1 1 30 18 17 o 1.701000       1.217000      202.0935      -70.5  
1 1 1 30 18 18 o 3.215000       1.371000      302.6125      165.2  
1 1 1 30 18 19 o -2.068000      1.430000      91.33214      -23.2  
1 1 1 30 18 20 o 9.857000       1.232000      379.0945      -158.8 
1 1 1 30 18 21 o -1.197000      1.069000      168.9189      90.7   
1 1 1 30 18 22 o 7.392000       1.119000      393.0933      -154.0 
1 1 1 30 18 23 o -0.4449000     1.067000      100.1718      -79.7  
1 1 1 30 18 24 o 4.458000       1.072000      255.4843      -84.8  
1 1 1 30 18 25 o 2.204000       1.026000      161.9148      -35.7  
1 1 1 30 18 26 o 6.370000       1.068000      228.4326      -58.4  
1 1 1 30 18 27 o 14.23000       1.378000      373.0284      22.1   
1 1 1 30 18 28 o 0.1018000      1.294000      91.67907      -161.9 
1 1 1 30 18 29 o 0.1032000      1.323000      197.1619      -39.4  
1 1 1 30 18 30 o 2.945000       1.379000      238.0319      66.7   
1 1 1 30 18 31 o 1.545000       1.164000      185.5708      128.7  
1 1 1 30 18 32 o -0.4960000     1.159000      170.2280      -31.8  
1 1 1 30 18 33 o 2.760000       1.108000      162.7855      -143.3 
1 1 1 30 18 34 o 2.243000       1.108000      326.6085      -161.4 
1 1 1 30 18 35 o 1.708000       1.187000      121.7257      47.1   
1 1 1 30 18 36 o 3.089000       1.231000      288.6257      -100.2 
1 1 1 30 18 37 o 5.146000       1.415000      375.7670      -51.5  
1 1 1 30 18 38 o -1.274000      1.252000      49.69893      -11.6  
1 1 1 30 18 39 o -0.2601000     1.267000      133.8602      2.3    
1 1 1 30 18 40 o 0.5712000      1.256000      109.5319      -73.9  
1 1 1 30 18 41 o 0.7824000      1.484000      216.4656      -117.0 
1 1 1 30 18 42 o 1.061000       1.300000      ?             ?      
1 1 1 30 18 43 o -0.1422000     1.154000      ?             ?      
1 1 1 30 18 44 o 1.747000       1.196000      ?             ?      
1 1 1 30 18 45 o 1.044000       1.178000      ?             ?      
1 1 1 30 18 46 o -0.3799000     1.142000      ?             ?      
1 1 1 30 18 47 o 1.361000       1.133000      ?             ?      
1 1 1 30 18 48 o 0.7402000      1.100000      ?             ?      
1 1 1 30 18 49 o 2.145000       1.116000      ?             ?      
1 1 1 30 18 50 o 3.315000       1.162000      ?             ?      
1 1 1 30 18 51 o -0.5176000     1.133000      ?             ?      
1 1 1 30 18 52 o -0.5272000     1.133000      ?             ?      
1 1 1 30 18 53 o 2.554000       1.345000      ?             ?      
1 1 1 30 18 54 o 1.122000       1.347000      ?             ?      
1 1 1 30 18 55 o 2.660000       1.265000      ?             ?      
1 1 1 30 18 56 o 0.1077000      1.305000      ?             ?      
1 1 1 30 18 57 o 1.834000       1.385000      ?             ?      
1 1 1 30 18 58 o -0.8339000     1.578000      ?             ?      
1 1 1 30 18 59 o 2.627000       1.651000      ?             ?      
1 1 1 30 18 60 o 1.950000       1.441000      ?             ?      
1 1 1 30 18 61 o 2.028000       1.286000      ?             ?      
1 1 1 30 19 0  o 2.575000       1.833000      25.93962      -0.0   
1 1 1 30 19 1  o 3.846000       1.254000      373.0609      160.7  
1 1 1 30 19 2  o 12.57000       1.114000      535.5523      168.1  
1 1 1 30 19 3  o 5.416000       1.074000      286.4692      -62.9  
1 1 1 30 19 4  o 6.172000       1.093000      444.4506      -140.5 
1 1 1 30 19 5  o 6.955000       1.082000      325.3844      -56.0  
1 1 1 30 19 6  o -0.2612000E-01 1.051000      185.0170      17.3   
1 1 1 30 19 7  o 5.543000       1.167000      161.2496      -139.8 
1 1 1 30 19 8  o 18.35000       1.393000      434.9019      132.4  
1 1 1 30 19 9  o 0.1163000      1.261000      196.2386      -31.6  
1 1 1 30 19 10 o -2.431000      1.082000      47.19005      106.6  
1 1 1 30 19 11 o 3.393000       1.109000      255.9029      -26.9  
1 1 1 30 19 12 o 0.2724000      1.186000      100.8810      135.4  
1 1 1 30 19 13 o 5.658000       1.275000      334.6839      93.5   
1 1 1 30 19 14 o 14.95000       1.372000      476.8286      -67.3  
1 1 1 30 19 15 o 7.469000       1.384000      198.4688      54.1   
1 1 1 30 19 16 f 6.963000       1.295000      349.1646      -117.4 
1 1 1 30 19 17 o 15.99000       1.430000      523.4362      -113.9 
1 1 1 30 19 18 o 8.593000       1.607000      287.1908      -136.6 
1 1 1 30 19 19 o 3.019000       1.500000      179.2851      -148.1 
1 1 1 30 19 20 o 2.416000       1.301000      193.5076      30.0   
1 1 1 30 19 21 o 2.441000       1.092000      200.2267      -93.3  
1 1 1 30 19 22 o 0.3407000      1.067000      80.20390      125.0  
1 1 1 30 19 23 o 8.290000       1.116000      420.2935      -17.9  
1 1 1 30 19 24 o 9.320000       1.110000      375.5742      84.4   
1 1 1 30 19 25 o 0.5897000      1.029000      171.7784      40.7   
1 1 1 30 19 26 o 1.593000       1.042000      161.3469      95.5   
1 1 1 30 19 27 o 10.32000       1.354000      293.9271      67.0   
1 1 1 30 19 28 o 3.976000       1.329000      187.0345      -142.1 
1 1 1 30 19 29 o 18.57000       1.513000      571.2440      -118.2 
1 1 1 30 19 30 o 4.623000       1.445000      197.0695      179.5  
1 1 1 30 19 31 o 3.022000       1.185000      185.8427      -109.7 
1 1 1 30 19 32 o 13.87000       1.572000      380.5219      -55.5  
1 1 1 30 19 33 o 0.8676000      1.103000      121.5899      -140.9 
1 1 1 30 19 34 o 1.481000       1.102000      191.3164      -10.5  
1 1 1 30 19 35 o -0.4566000     1.184000      144.5240      26.1   
1 1 1 30 19 36 o 2.211000       1.249000      348.3038      120.8  
1 1 1 30 19 37 o 8.227000       1.404000      391.4717      -163.9 
1 1 1 30 19 38 o -1.357000      1.253000      55.54589      -154.0 
1 1 1 30 19 39 o 2.281000       1.430000      363.5457      -59.0  
1 1 1 30 19 40 o -0.6842000     1.357000      140.6639      34.6   
1 1 1 30 19 41 o 0.7606000E-01  1.221000      ?             ?      
1 1 1 30 19 42 o 0.4611000      1.201000      ?             ?      
1 1 1 30 19 43 f -0.5975000E-01 1.174000      ?             ?      
1 1 1 30 19 44 o 9.781000       1.270000      ?             ?      
1 1 1 30 19 45 o -0.6317000     1.152000      ?             ?      
1 1 1 30 19 46 o 2.785000       1.143000      ?             ?      
1 1 1 30 19 47 o -2.006000      1.118000      ?             ?      
1 1 1 30 19 48 o 0.8310000E-01  1.104000      ?             ?      
1 1 1 30 19 49 o 0.5900000      1.116000      ?             ?      
1 1 1 30 19 50 o 0.3325000      1.108000      ?             ?      
1 1 1 30 19 51 o 0.9824000      1.128000      ?             ?      
1 1 1 30 19 52 o 0.2797000      1.130000      ?             ?      
1 1 1 30 19 53 o 0.2541000      1.156000      ?             ?      
1 1 1 30 19 54 o 1.429000       1.327000      ?             ?      
1 1 1 30 19 55 o 2.023000       1.449000      ?             ?      
1 1 1 30 19 56 o 1.986000       1.533000      ?             ?      
1 1 1 30 19 57 o -1.333000      1.375000      ?             ?      
1 1 1 30 19 58 o 1.656000       1.516000      ?             ?      
1 1 1 30 19 59 o -1.191000      1.338000      ?             ?      
1 1 1 30 19 60 o 2.431000       1.972000      ?             ?      
1 1 1 30 19 61 o -1.477000      1.344000      ?             ?      
1 1 1 30 20 0  o -0.3373000     1.655000      174.1455      180.0  
1 1 1 30 20 1  o 3.034000       1.074000      218.8157      -122.7 
1 1 1 30 20 2  o 0.6490000      1.114000      125.6163      -66.1  
1 1 1 30 20 3  o 4.330000       1.234000      318.1306      158.1  
1 1 1 30 20 4  o 2.011000       1.046000      247.3593      88.6   
1 1 1 30 20 5  o 3.448000       1.045000      318.0870      -105.1 
1 1 1 30 20 6  o 8.410000       1.083000      368.6855      -173.3 
1 1 1 30 20 7  o 20.18000       1.215000      573.3320      -131.1 
1 1 1 30 20 8  o 0.5377000      1.083000      117.8305      112.4  
1 1 1 30 20 9  o 7.267000       1.091000      274.3118      -156.7 
1 1 1 30 20 10 o 6.928000       1.120000      338.6487      44.1   
1 1 1 30 20 11 o 2.967000       1.478000      188.1182      -45.9  
1 1 1 30 20 12 o 1.003000       1.437000      41.77606      -105.8 
1 1 1 30 20 13 o 1.151000       1.219000      131.6244      45.7   
1 1 1 30 20 14 o 10.92000       1.285000      457.7325      -74.6  
1 1 1 30 20 15 o 1.798000       1.205000      163.2156      -46.3  
1 1 1 30 20 16 o 3.552000       1.153000      314.5680      -102.8 
1 1 1 30 20 17 o 6.846000       1.377000      288.4232      -23.4  
1 1 1 30 20 18 o -1.322000      1.514000      220.8177      -115.9 
1 1 1 30 20 19 o 0.1485000      1.491000      66.88288      64.2   
1 1 1 30 20 20 o 10.69000       1.308000      446.1220      148.3  
1 1 1 30 20 21 o 1.767000       1.206000      188.0673      85.0   
1 1 1 30 20 22 o 1.825000       1.052000      136.2213      -42.7  
1 1 1 30 20 23 o 1.875000       1.082000      202.4050      -143.0 
1 1 1 30 20 24 o 12.86000       1.146000      508.9153      154.6  
1 1 1 30 20 25 o 2.901000       1.052000      59.79225      -114.6 
1 1 1 30 20 26 o -0.3306000     1.052000      175.4812      -23.4  
1 1 1 30 20 27 o 2.879000       1.270000      127.6208      -45.1  
1 1 1 30 20 28 o 1.548000       1.303000      198.6576      -81.5  
1 1 1 30 20 29 o 16.67000       1.487000      476.0919      -18.2  
1 1 1 30 20 30 o 18.70000       1.663000      353.0392      22.3   
1 1 1 30 20 31 o 4.537000       1.212000      196.5236      -165.2 
1 1 1 30 20 32 o 0.3528000      1.167000      109.3212      -98.3  
1 1 1 30 20 33 o -1.384000      1.169000      168.4066      115.1  
1 1 1 30 20 34 o 1.105000       1.112000      148.8692      30.9   
1 1 1 30 20 35 o 0.2412000      1.139000      45.20348      -12.4  
1 1 1 30 20 36 o 21.85000       1.791000      531.8423      -87.4  
1 1 1 30 20 37 o 1.147000       1.240000      154.7078      -101.5 
1 1 1 30 20 38 o 5.878000       1.452000      425.0170      40.4   
1 1 1 30 20 39 o 2.141000       1.413000      123.3863      75.1   
1 1 1 30 20 40 o -0.9316000     1.517000      128.3187      167.1  
1 1 1 30 20 41 o 3.113000       1.211000      ?             ?      
1 1 1 30 20 42 o -0.4292000     1.107000      ?             ?      
1 1 1 30 20 43 o 6.612000       1.217000      ?             ?      
1 1 1 30 20 44 o 3.324000       1.210000      ?             ?      
1 1 1 30 20 45 o 0.1587000      1.145000      ?             ?      
1 1 1 30 20 46 o 1.615000       1.140000      ?             ?      
1 1 1 30 20 47 o 1.716000       1.123000      ?             ?      
1 1 1 30 20 48 o 1.521000       1.110000      ?             ?      
1 1 1 30 20 49 o 1.054000       1.117000      ?             ?      
1 1 1 30 20 50 o 0.8969000      1.120000      ?             ?      
1 1 1 30 20 51 o 2.151000       1.146000      ?             ?      
1 1 1 30 20 52 o 1.178000       1.132000      ?             ?      
1 1 1 30 20 53 o -0.7037000     1.140000      ?             ?      
1 1 1 30 20 54 o 0.7838000E-01  1.349000      ?             ?      
1 1 1 30 20 55 o 2.093000       1.452000      ?             ?      
1 1 1 30 20 56 o 0.6362000E-01  1.552000      ?             ?      
1 1 1 30 20 57 o 0.9256000      1.638000      ?             ?      
1 1 1 30 20 58 o 1.486000       1.357000      ?             ?      
1 1 1 30 20 59 o 2.354000       1.329000      ?             ?      
1 1 1 30 20 60 o -0.1357000E-01 1.423000      ?             ?      
1 1 1 30 20 61 o -0.5425000     2.438000      ?             ?      
1 1 1 30 21 0  o 6.776000       1.408000      377.3376      0.0    
1 1 1 30 21 1  o 0.4233000      0.9846000     95.87151      -23.3  
1 1 1 30 21 2  o 1.756000       1.041000      157.5867      111.3  
1 1 1 30 21 3  o 2.196000       1.049000      244.3472      -131.3 
1 1 1 30 21 4  o 1.225000       1.085000      143.6889      -6.0   
1 1 1 30 21 5  o 12.59000       1.347000      542.1192      -25.8  
1 1 1 30 21 6  o 0.9853000      1.163000      58.36248      -110.6 
1 1 1 30 21 7  o 0.5860000      1.050000      172.4842      -48.3  
1 1 1 30 21 8  o 16.50000       1.166000      578.6979      48.9   
1 1 1 30 21 9  o 2.462000       1.058000      197.1526      -73.9  
1 1 1 30 21 10 o 0.1983000E-01  1.027000      69.19120      47.9   
1 1 1 30 21 11 o 6.707000       1.181000      316.5540      102.8  
1 1 1 30 21 12 o 27.36000       1.523000      717.8671      94.8   
1 1 1 30 21 13 f 5.223000       1.250000      378.8491      38.4   
1 1 1 30 21 14 o 5.914000       1.293000      210.1247      -97.8  
1 1 1 30 21 15 o 1.459000       1.178000      155.8277      46.3   
1 1 1 30 21 16 o 0.1476000      1.128000      196.5667      97.4   
1 1 1 30 21 17 o 4.476000       1.258000      311.0312      -60.7  
1 1 1 30 21 18 o 8.481000       1.501000      269.2414      -135.2 
1 1 1 30 21 19 o 2.248000       1.165000      98.48687      41.7   
1 1 1 30 21 20 o 4.301000       1.199000      135.3397      8.4    
1 1 1 30 21 21 o 3.936000       1.182000      345.5278      -148.9 
1 1 1 30 21 22 o 2.431000       1.173000      57.09465      -87.3  
1 1 1 30 21 23 o 2.613000       1.055000      209.7498      -116.1 
1 1 1 30 21 24 o -0.6708000     1.071000      93.68041      143.9  
1 1 1 30 21 25 o 7.039000       1.091000      274.7971      -2.1   
1 1 1 30 21 26 o 2.055000       1.066000      94.73335      59.5   
1 1 1 30 21 27 o 2.014000       1.111000      319.9785      110.1  
1 1 1 30 21 28 o 6.249000       1.330000      287.4760      -128.2 
1 1 1 30 21 29 o 1.175000       1.330000      200.6895      -68.1  
1 1 1 30 21 30 o 4.521000       1.420000      230.4992      163.5  
1 1 1 30 21 31 o -0.5582000     1.203000      140.2491      149.5  
1 1 1 30 21 32 o 5.077000       1.200000      285.5421      -48.6  
1 1 1 30 21 33 o 6.453000       1.232000      422.5867      97.8   
1 1 1 30 21 34 o 3.433000       1.138000      246.0645      -54.2  
1 1 1 30 21 35 o 6.977000       1.187000      273.3768      77.0   
1 1 1 30 21 36 o 1.566000       1.252000      234.6201      163.2  
1 1 1 30 21 37 o 1.622000       1.234000      289.9864      -158.6 
1 1 1 30 21 38 o 1.148000       1.414000      216.8769      -87.0  
1 1 1 30 21 39 o 2.408000       1.576000      180.9124      93.3   
1 1 1 30 21 40 o 0.2598000      1.357000      ?             ?      
1 1 1 30 21 41 o 1.997000       1.177000      ?             ?      
1 1 1 30 21 42 o 1.638000       1.116000      ?             ?      
1 1 1 30 21 43 o 5.286000       1.143000      ?             ?      
1 1 1 30 21 44 o 5.056000       1.136000      ?             ?      
1 1 1 30 21 45 o 0.1655000      1.120000      ?             ?      
1 1 1 30 21 46 o 3.043000       1.137000      ?             ?      
1 1 1 30 21 47 o 1.296000       1.097000      ?             ?      
1 1 1 30 21 48 o -0.1214000     1.083000      ?             ?      
1 1 1 30 21 49 o 5.768000       1.148000      ?             ?      
1 1 1 30 21 50 o -1.783000      1.112000      ?             ?      
1 1 1 30 21 51 o 3.130000       1.148000      ?             ?      
1 1 1 30 21 52 o -0.4297000     1.120000      ?             ?      
1 1 1 30 21 53 o 1.178000       1.139000      ?             ?      
1 1 1 30 21 54 o 1.647000       1.329000      ?             ?      
1 1 1 30 21 55 o 0.4201000      1.383000      ?             ?      
1 1 1 30 21 56 o 1.130000       1.599000      ?             ?      
1 1 1 30 21 57 o 1.161000       1.547000      ?             ?      
1 1 1 30 21 58 o -0.2592000     1.211000      ?             ?      
1 1 1 30 21 59 o -1.318000      1.324000      ?             ?      
1 1 1 30 21 60 o -0.2573000     1.497000      ?             ?      
1 1 1 30 22 0  o 1.972000       1.374000      90.33428      180.0  
1 1 1 30 22 1  o 0.4720000      0.9545000     135.4934      -83.8  
1 1 1 30 22 2  o 0.4782000      1.030000      340.9919      28.3   
1 1 1 30 22 3  o 10.60000       1.100000      310.2249      -178.1 
1 1 1 30 22 4  o 3.266000       1.092000      300.5966      -6.4   
1 1 1 30 22 5  o 4.486000       1.049000      266.4047      -121.4 
1 1 1 30 22 6  o 4.086000       1.003000      327.0360      76.7   
1 1 1 30 22 7  o 3.787000       1.082000      142.4031      -127.0 
1 1 1 30 22 8  o 14.49000       1.396000      509.7598      96.1   
1 1 1 30 22 9  o 6.722000       1.151000      245.3347      -170.7 
1 1 1 30 22 10 o -0.2835000     1.083000      36.39357      163.8  
1 1 1 30 22 11 o 7.158000       1.242000      287.6269      -143.0 
1 1 1 30 22 12 o 1.688000       1.210000      113.8516      94.7   
1 1 1 30 22 13 o -0.8474000     1.200000      23.36760      124.1  
1 1 1 30 22 14 o 4.848000       1.123000      252.8539      -121.9 
1 1 1 30 22 15 o 0.2128000      1.060000      163.8437      -134.2 
1 1 1 30 22 16 o 1.956000       1.217000      160.7213      -81.3  
1 1 1 30 22 17 o 0.2786000      1.211000      175.9361      -96.9  
1 1 1 30 22 18 o -2.023000      1.357000      24.41886      108.9  
1 1 1 30 22 19 o -0.7900000     1.182000      126.3544      -156.5 
1 1 1 30 22 20 o 5.172000       1.198000      243.8248      138.7  
1 1 1 30 22 21 o 4.329000       1.183000      287.1598      -44.5  
1 1 1 30 22 22 o 6.065000       1.189000      398.3551      -83.0  
1 1 1 30 22 23 o 1.893000       1.176000      169.9970      -159.3 
1 1 1 30 22 24 o 5.705000       1.085000      365.1583      77.7   
1 1 1 30 22 25 o 3.070000       1.067000      255.2183      36.6   
1 1 1 30 22 26 o 2.693000       1.061000      163.1324      -175.3 
1 1 1 30 22 27 o 8.117000       1.127000      452.5252      -71.9  
1 1 1 30 22 28 o 0.6868000      1.276000      91.89133      -49.0  
1 1 1 30 22 29 o 2.099000       1.299000      153.6634      -33.9  
1 1 1 30 22 30 o 1.370000       1.359000      208.6250      157.3  
1 1 1 30 22 31 o -0.1602000     1.349000      198.6152      -102.6 
1 1 1 30 22 32 o 0.9629000      1.183000      219.8541      151.4  
1 1 1 30 22 33 o 13.76000       1.491000      444.3042      36.6   
1 1 1 30 22 34 o -0.7472000     1.117000      55.08000      -145.8 
1 1 1 30 22 35 o 1.980000       1.135000      157.1466      17.3   
1 1 1 30 22 36 o 5.728000       1.171000      288.8445      -113.9 
1 1 1 30 22 37 o 4.249000       1.292000      338.8160      29.1   
1 1 1 30 22 38 o 3.960000       1.440000      322.7494      83.4   
1 1 1 30 22 39 o -2.360000      1.929000      ?             ?      
1 1 1 30 22 40 o 0.2453000      1.267000      ?             ?      
1 1 1 30 22 41 o -0.5735000     1.215000      ?             ?      
1 1 1 30 22 42 o 4.526000       1.130000      ?             ?      
1 1 1 30 22 43 o -1.087000      1.081000      ?             ?      
1 1 1 30 22 44 o 1.677000       1.078000      ?             ?      
1 1 1 30 22 45 o 1.224000       1.064000      ?             ?      
1 1 1 30 22 46 o 2.961000       1.103000      ?             ?      
1 1 1 30 22 47 o 0.9187000      1.084000      ?             ?      
1 1 1 30 22 48 o 0.8789000      1.090000      ?             ?      
1 1 1 30 22 49 o -0.8890000E-01 1.109000      ?             ?      
1 1 1 30 22 50 o 2.190000       1.119000      ?             ?      
1 1 1 30 22 51 o 3.416000       1.146000      ?             ?      
1 1 1 30 22 52 o 2.980000       1.144000      ?             ?      
1 1 1 30 22 53 o -0.5608000     1.132000      ?             ?      
1 1 1 30 22 54 o -0.7144000     1.160000      ?             ?      
1 1 1 30 22 55 o -0.6359000     1.603000      ?             ?      
1 1 1 30 22 56 o -0.2149000     2.413000      ?             ?      
1 1 1 30 22 57 o -1.409000      1.524000      ?             ?      
1 1 1 30 22 58 o -0.2712000     1.221000      ?             ?      
1 1 1 30 22 59 o 0.7266000      1.331000      ?             ?      
1 1 1 30 22 60 o -0.1249000E-01 1.695000      ?             ?      
1 1 1 30 23 0  o 19.50000       1.587000      702.2264      -0.0   
1 1 1 30 23 1  o 2.655000       0.9495000     154.2001      151.2  
1 1 1 30 23 2  o 3.507000       1.082000      338.0553      40.8   
1 1 1 30 23 3  o 9.455000       1.083000      378.2050      98.0   
1 1 1 30 23 4  o 5.146000       1.204000      357.0908      2.3    
1 1 1 30 23 5  o -0.6802000     1.003000      154.1018      144.4  
1 1 1 30 23 6  o -0.2350000     0.9382000     92.93916      -15.8  
1 1 1 30 23 7  o 1.914000       0.9937000     149.5989      92.8   
1 1 1 30 23 8  o 4.058000       1.044000      295.2115      41.3   
1 1 1 30 23 9  o 6.912000       1.113000      362.0439      -93.6  
1 1 1 30 23 10 o 3.619000       1.203000      260.5514      86.5   
1 1 1 30 23 11 o 4.428000       1.211000      337.1823      126.9  
1 1 1 30 23 12 o -2.010000      1.203000      139.6163      78.6   
1 1 1 30 23 13 o 2.404000       1.130000      321.4943      -40.3  
1 1 1 30 23 14 o 1.538000       1.099000      135.4747      -114.3 
1 1 1 30 23 15 o 2.131000       1.074000      173.7416      78.3   
1 1 1 30 23 16 o 1.512000       1.250000      216.6718      36.0   
1 1 1 30 23 17 o 1.426000       1.375000      179.2679      -61.1  
1 1 1 30 23 18 o 4.032000       1.364000      265.6859      -73.4  
1 1 1 30 23 19 o 1.554000       1.184000      234.7072      53.4   
1 1 1 30 23 20 o 0.4670000      1.341000      57.17059      18.1   
1 1 1 30 23 21 o 2.950000       1.366000      293.4225      154.5  
1 1 1 30 23 22 o 0.4534000      1.172000      265.2388      70.3   
1 1 1 30 23 23 o 3.980000       1.189000      296.8900      159.1  
1 1 1 30 23 24 o 2.770000       1.109000      86.75217      107.5  
1 1 1 30 23 25 o -0.1397000     1.037000      12.38676      169.7  
1 1 1 30 23 26 o -0.1500000     1.052000      205.9792      152.8  
1 1 1 30 23 27 o 4.700000       1.117000      198.8869      -101.5 
1 1 1 30 23 28 o -1.422000      1.242000      68.54447      69.6   
1 1 1 30 23 29 o 2.353000       1.279000      178.5594      44.9   
1 1 1 30 23 30 o 0.4954000      1.258000      65.84621      -111.4 
1 1 1 30 23 31 o 2.712000       1.319000      157.0517      156.2  
1 1 1 30 23 32 o 6.160000       1.223000      355.5201      30.3   
1 1 1 30 23 33 o 0.5299000      1.193000      182.5061      142.4  
1 1 1 30 23 34 o 1.462000       1.135000      194.8457      100.0  
1 1 1 30 23 35 o 2.847000       1.118000      363.1760      116.4  
1 1 1 30 23 36 o 3.471000       1.138000      285.5476      150.8  
1 1 1 30 23 37 o 0.1038000      1.178000      82.86353      -60.9  
1 1 1 30 23 38 o 2.205000       1.594000      ?             ?      
1 1 1 30 23 39 o 2.022000       1.367000      ?             ?      
1 1 1 30 23 40 o -0.4597000     1.366000      ?             ?      
1 1 1 30 23 41 o 3.988000       1.227000      ?             ?      
1 1 1 30 23 42 o 1.221000       1.195000      ?             ?      
1 1 1 30 23 43 o -0.2436000     1.056000      ?             ?      
1 1 1 30 23 44 o 4.254000       1.086000      ?             ?      
1 1 1 30 23 45 o -1.021000      1.035000      ?             ?      
1 1 1 30 23 46 o 0.9110000      1.057000      ?             ?      
1 1 1 30 23 47 o 1.657000       1.092000      ?             ?      
1 1 1 30 23 48 o -0.4016000     1.090000      ?             ?      
1 1 1 30 23 49 o 3.584000       1.129000      ?             ?      
1 1 1 30 23 50 o 0.3535000E-01  1.099000      ?             ?      
1 1 1 30 23 51 o 2.298000       1.128000      ?             ?      
1 1 1 30 23 52 o 1.991000       1.125000      ?             ?      
1 1 1 30 23 53 o -1.440000      1.129000      ?             ?      
1 1 1 30 23 54 o -0.8256000     1.241000      ?             ?      
1 1 1 30 23 55 o 1.604000       1.617000      ?             ?      
1 1 1 30 23 56 o -1.519000      1.761000      ?             ?      
1 1 1 30 23 57 o -0.1440000     1.494000      ?             ?      
1 1 1 30 23 58 o 2.130000       1.258000      ?             ?      
1 1 1 30 23 59 o 1.237000       1.341000      ?             ?      
1 1 1 30 24 0  o 1.290000       1.352000      99.64111      180.0  
1 1 1 30 24 1  o 4.986000       1.018000      304.2350      86.4   
1 1 1 30 24 2  o 1.996000       1.049000      145.3759      -102.3 
1 1 1 30 24 3  f 6.057000       1.066000      492.8715      -141.7 
1 1 1 30 24 4  o 0.9362000      1.006000      199.0938      -34.3  
1 1 1 30 24 5  o 3.086000       1.025000      326.0062      43.0   
1 1 1 30 24 6  o -0.1715000     0.9854000     124.7341      -130.5 
1 1 1 30 24 7  o 2.473000       0.9619000     245.9835      80.1   
1 1 1 30 24 8  o 2.339000       1.056000      135.5188      43.7   
1 1 1 30 24 9  o -0.7002000     1.162000      77.05233      -134.5 
1 1 1 30 24 10 o 1.313000       1.218000      229.7503      62.8   
1 1 1 30 24 11 o 2.563000       1.239000      271.0947      -168.6 
1 1 1 30 24 12 o 4.680000       1.166000      363.0847      18.6   
1 1 1 30 24 13 o 4.121000       1.157000      203.6024      -28.3  
1 1 1 30 24 14 o 6.714000       1.343000      300.2154      -176.6 
1 1 1 30 24 15 o 4.758000       1.235000      408.7717      -104.3 
1 1 1 30 24 16 o 2.027000       1.283000      182.8634      24.4   
1 1 1 30 24 17 o 1.650000       1.388000      186.1506      117.0  
1 1 1 30 24 18 o 1.868000       1.207000      87.33571      49.7   
1 1 1 30 24 19 o 3.487000       1.238000      270.3432      -104.1 
1 1 1 30 24 20 o 1.510000       1.165000      224.9836      -160.9 
1 1 1 30 24 21 o 4.202000       1.193000      315.6895      -133.8 
1 1 1 30 24 22 o -0.7027000     1.166000      166.7199      -155.5 
1 1 1 30 24 23 o 0.2986000      1.320000      129.5779      -3.7   
1 1 1 30 24 24 o 0.6708000      1.288000      52.49377      -53.9  
1 1 1 30 24 25 o 2.115000       1.085000      193.1941      -65.9  
1 1 1 30 24 26 o 2.379000       1.142000      230.2271      -83.8  
1 1 1 30 24 27 o 3.998000       1.180000      408.2025      -94.3  
1 1 1 30 24 28 o -0.8456000     1.217000      60.60076      157.9  
1 1 1 30 24 29 o 2.197000       1.255000      200.7425      144.6  
1 1 1 30 24 30 o 1.311000       1.227000      102.7939      152.8  
1 1 1 30 24 31 o 0.9797000      1.296000      194.1910      -110.5 
1 1 1 30 24 32 o 3.772000       1.199000      306.4513      -156.6 
1 1 1 30 24 33 o 3.238000       1.213000      212.2195      60.9   
1 1 1 30 24 34 o 0.1677000      1.162000      243.1184      -133.5 
1 1 1 30 24 35 o 2.113000       1.108000      197.0743      115.5  
1 1 1 30 24 36 o -0.7990000     1.131000      91.69782      145.2  
1 1 1 30 24 37 o 2.201000       1.314000      213.8799      8.7    
1 1 1 30 24 38 o 1.980000       1.546000      ?             ?      
1 1 1 30 24 39 o 1.307000       1.222000      ?             ?      
1 1 1 30 24 40 o 0.3761000      1.282000      ?             ?      
1 1 1 30 24 41 o -0.5769000     1.203000      ?             ?      
1 1 1 30 24 42 o 1.434000       1.193000      ?             ?      
1 1 1 30 24 43 o 0.2865000      1.037000      ?             ?      
1 1 1 30 24 44 o -1.893000      1.035000      ?             ?      
1 1 1 30 24 45 o -1.690000      1.028000      ?             ?      
1 1 1 30 24 46 o -0.4327000E-01 1.037000      ?             ?      
1 1 1 30 24 47 o 1.941000       1.054000      ?             ?      
1 1 1 30 24 48 o 1.934000       1.097000      ?             ?      
1 1 1 30 24 49 o 0.2104000      1.082000      ?             ?      
1 1 1 30 24 50 o -0.4802000E-01 1.092000      ?             ?      
1 1 1 30 24 51 o 2.457000       1.135000      ?             ?      
1 1 1 30 24 52 o 1.477000       1.129000      ?             ?      
1 1 1 30 24 53 o -0.5649000     1.127000      ?             ?      
1 1 1 30 24 54 o 1.167000       1.300000      ?             ?      
1 1 1 30 24 55 o -0.3349000     2.533000      ?             ?      
1 1 1 30 24 56 o 0.4340000      1.646000      ?             ?      
1 1 1 30 24 57 o 1.636000       1.498000      ?             ?      
1 1 1 30 24 58 o -1.403000      1.328000      ?             ?      
1 1 1 30 24 59 o 1.787000       1.520000      ?             ?      
1 1 1 30 25 0  o 0.5566000      1.352000      312.3999      -0.0   
1 1 1 30 25 1  o 4.194000       0.9711000     357.0674      47.4   
1 1 1 30 25 2  o 4.229000       0.9800000     416.1371      16.9   
1 1 1 30 25 3  o 1.473000       1.013000      175.2596      118.3  
1 1 1 30 25 4  o -0.9320000     1.005000      78.37733      51.2   
1 1 1 30 25 5  o 1.288000       1.003000      258.6960      62.6   
1 1 1 30 25 6  o 0.3112000      1.008000      96.33083      32.5   
1 1 1 30 25 7  o 0.8389000      0.9952000     149.1219      92.2   
1 1 1 30 25 8  o 0.8068000      1.082000      131.7833      122.6  
1 1 1 30 25 9  o -0.8685000     1.198000      206.6517      -157.5 
1 1 1 30 25 10 o 2.648000       1.242000      210.2593      -151.1 
1 1 1 30 25 11 o 3.788000       1.259000      316.7636      149.4  
1 1 1 30 25 12 o 2.163000       1.088000      217.4186      -10.3  
1 1 1 30 25 13 o 1.002000       1.092000      221.7656      -18.7  
1 1 1 30 25 14 o -0.5263000     1.101000      114.0409      179.0  
1 1 1 30 25 15 o 0.5123000      1.312000      138.4505      83.5   
1 1 1 30 25 16 o 6.541000       1.599000      434.1098      -9.5   
1 1 1 30 25 17 o -0.5434000     1.826000      82.09829      175.0  
1 1 1 30 25 18 o 0.4205000      1.422000      142.7574      18.2   
1 1 1 30 25 19 o -0.3757000     1.206000      73.75286      -31.4  
1 1 1 30 25 20 o 1.508000       1.548000      170.6654      -151.0 
1 1 1 30 25 21 o 0.6580000      1.174000      146.6902      151.9  
1 1 1 30 25 22 o 2.715000       1.157000      262.9616      71.7   
1 1 1 30 25 23 o 1.425000       1.147000      237.6171      -164.3 
1 1 1 30 25 24 o 2.324000       1.167000      254.1637      30.6   
1 1 1 30 25 25 o 0.2902000      1.182000      80.68427      18.8   
1 1 1 30 25 26 o 2.915000       1.173000      156.1025      20.8   
1 1 1 30 25 27 o -0.5273000     1.134000      160.9694      -93.2  
1 1 1 30 25 28 o -2.486000      1.191000      51.28677      -85.3  
1 1 1 30 25 29 o 3.930000       1.294000      159.9343      -9.3   
1 1 1 30 25 30 o 0.3322000      1.285000      34.51939      -52.9  
1 1 1 30 25 31 o 2.456000       1.313000      152.1863      97.8   
1 1 1 30 25 32 o 0.6006000      1.206000      164.4678      -40.2  
1 1 1 30 25 33 o 1.067000       1.181000      88.74947      -36.0  
1 1 1 30 25 34 o 3.727000       1.182000      222.9003      148.5  
1 1 1 30 25 35 o 1.561000       1.136000      77.33575      116.3  
1 1 1 30 25 36 o -1.010000      1.131000      60.92487      -161.5 
1 1 1 30 25 37 o 1.996000       1.238000      ?             ?      
1 1 1 30 25 38 o 0.3798000      1.178000      ?             ?      
1 1 1 30 25 39 o 2.353000       1.180000      ?             ?      
1 1 1 30 25 40 o 0.1235000      1.166000      ?             ?      
1 1 1 30 25 41 o 2.528000       1.327000      ?             ?      
1 1 1 30 25 42 o 1.512000       1.165000      ?             ?      
1 1 1 30 25 43 o -0.1030000     1.139000      ?             ?      
1 1 1 30 25 44 o -0.5199000     1.034000      ?             ?      
1 1 1 30 25 45 o -0.8093000     1.018000      ?             ?      
1 1 1 30 25 46 o -0.5361000     1.018000      ?             ?      
1 1 1 30 25 47 o 0.4970000      1.033000      ?             ?      
1 1 1 30 25 48 o -0.5224000     1.032000      ?             ?      
1 1 1 30 25 49 o 1.275000       1.085000      ?             ?      
1 1 1 30 25 50 o 1.146000       1.096000      ?             ?      
1 1 1 30 25 51 o 0.5768000      1.116000      ?             ?      
1 1 1 30 25 52 o 0.8507000      1.128000      ?             ?      
1 1 1 30 25 53 o -0.8360000     1.306000      ?             ?      
1 1 1 30 25 54 o -1.569000      1.333000      ?             ?      
1 1 1 30 25 55 o 1.821000       1.505000      ?             ?      
1 1 1 30 25 56 o -0.3393000     1.552000      ?             ?      
1 1 1 30 25 57 o 0.7378000      1.494000      ?             ?      
1 1 1 30 25 58 o -0.1929000E-01 1.329000      ?             ?      
1 1 1 30 26 0  o 0.9964000      1.328000      61.24508      -0.0   
1 1 1 30 26 1  o 0.9578000      0.9581000     253.0776      86.3   
1 1 1 30 26 2  o 6.187000       1.041000      434.8021      -132.9 
1 1 1 30 26 3  o 1.908000       1.014000      199.6517      -8.3   
1 1 1 30 26 4  o -0.6946000     0.9921000     101.3546      86.9   
1 1 1 30 26 5  o -0.5761000     1.016000      171.0874      111.3  
1 1 1 30 26 6  o -0.4949000     0.9948000     202.7554      -140.3 
1 1 1 30 26 7  o 0.9325000      1.153000      164.8564      11.8   
1 1 1 30 26 8  o -1.229000      1.181000      166.6228      -87.5  
1 1 1 30 26 9  o 7.772000       1.288000      427.7114      -25.8  
1 1 1 30 26 10 o 2.033000       1.236000      182.9833      -157.3 
1 1 1 30 26 11 o 0.3463000E-01  1.110000      164.4885      -24.9  
1 1 1 30 26 12 o 1.631000       1.110000      292.5097      -30.9  
1 1 1 30 26 13 o 1.970000       1.064000      285.4331      -134.4 
1 1 1 30 26 14 o 1.571000       1.089000      324.1711      155.4  
1 1 1 30 26 15 o -1.896000      1.193000      77.30076      -110.6 
1 1 1 30 26 16 o 2.213000       1.337000      128.2501      50.8   
1 1 1 30 26 17 o 2.126000       1.629000      116.0709      132.0  
1 1 1 30 26 18 o 0.7810000      1.254000      229.5049      -57.5  
1 1 1 30 26 19 o 0.4926000      1.259000      154.1220      -133.5 
1 1 1 30 26 20 o 1.874000       1.379000      18.64475      -35.0  
1 1 1 30 26 21 o -1.172000      1.228000      82.12228      -116.2 
1 1 1 30 26 22 o 0.1110000      1.223000      153.1786      -39.3  
1 1 1 30 26 23 o -1.055000      1.174000      68.24912      -117.9 
1 1 1 30 26 24 o 2.702000       1.193000      263.3456      -151.1 
1 1 1 30 26 25 o -1.543000      1.179000      126.1753      36.4   
1 1 1 30 26 26 o 2.980000       1.211000      237.1730      -66.4  
1 1 1 30 26 27 o 2.745000       1.101000      130.2277      -106.8 
1 1 1 30 26 28 f 2.998000       1.196000      120.8072      124.8  
1 1 1 30 26 29 o 0.9985000      1.313000      176.5544      84.0   
1 1 1 30 26 30 o 1.227000       1.347000      73.44822      -90.4  
1 1 1 30 26 31 o 0.8668000      1.303000      115.4493      -108.4 
1 1 1 30 26 32 o 1.899000       1.461000      174.1876      133.6  
1 1 1 30 26 33 o 1.847000       1.338000      185.3970      27.2   
1 1 1 30 26 34 o 3.505000       1.194000      188.0889      91.4   
1 1 1 30 26 35 o -0.6227000     1.123000      54.55910      -89.1  
1 1 1 30 26 36 o 1.599000       1.275000      ?             ?      
1 1 1 30 26 37 o 0.3389000      1.232000      ?             ?      
1 1 1 30 26 38 o -0.2742000E-02 1.101000      ?             ?      
1 1 1 30 26 39 o 0.4859000      1.133000      ?             ?      
1 1 1 30 26 40 o 0.7274000      1.148000      ?             ?      
1 1 1 30 26 41 o 0.5570000      1.155000      ?             ?      
1 1 1 30 26 42 o -0.6719000     1.175000      ?             ?      
1 1 1 30 26 43 o -0.8121000     1.133000      ?             ?      
1 1 1 30 26 44 o -0.1030000     1.020000      ?             ?      
1 1 1 30 26 45 o 0.4867000      1.017000      ?             ?      
1 1 1 30 26 46 o 2.257000       1.022000      ?             ?      
1 1 1 30 26 47 o 1.586000       1.025000      ?             ?      
1 1 1 30 26 48 o 1.427000       1.036000      ?             ?      
1 1 1 30 26 49 o -0.8230000     1.043000      ?             ?      
1 1 1 30 26 50 o -0.6091000E-01 1.059000      ?             ?      
1 1 1 30 26 51 o 0.7198000      1.191000      ?             ?      
1 1 1 30 26 52 o 0.7656000      1.133000      ?             ?      
1 1 1 30 26 53 o 0.3776000      1.484000      ?             ?      
1 1 1 30 26 54 o 0.9490000      1.417000      ?             ?      
1 1 1 30 26 55 o -0.5906000     1.300000      ?             ?      
1 1 1 30 26 56 o 1.622000       1.406000      ?             ?      
1 1 1 30 26 57 o -0.6289000E-01 1.499000      ?             ?      
1 1 1 30 27 0  o 5.591000       1.326000      237.2679      -0.0   
1 1 1 30 27 1  o 3.004000       0.9474000     339.3480      85.3   
1 1 1 30 27 2  o 1.435000       0.9175000     225.3579      -140.3 
1 1 1 30 27 3  o 0.3268000      0.9910000     145.5743      -71.2  
1 1 1 30 27 4  o 2.321000       1.003000      182.1422      90.1   
1 1 1 30 27 5  o -0.2681000     1.006000      174.5206      17.1   
1 1 1 30 27 6  o -0.6968000     1.148000      155.5649      132.4  
1 1 1 30 27 7  o 2.116000       1.298000      196.6706      19.0   
1 1 1 30 27 8  o 3.196000       1.390000      323.6748      69.9   
1 1 1 30 27 9  o -1.076000      1.206000      148.5677      -152.6 
1 1 1 30 27 10 o 2.675000       1.097000      217.3051      38.8   
1 1 1 30 27 11 o -0.8271000     1.019000      140.3818      -69.3  
1 1 1 30 27 12 o -0.7819000     1.072000      86.65958      37.9   
1 1 1 30 27 13 o -0.5416000     1.061000      73.89355      -129.1 
1 1 1 30 27 14 o 1.495000       1.162000      45.03769      -65.2  
1 1 1 30 27 15 o 3.713000       1.219000      185.5476      -5.7   
1 1 1 30 27 16 o -0.4541000     1.293000      180.3203      -31.5  
1 1 1 30 27 17 o -0.3126000     1.269000      105.1879      84.7   
1 1 1 30 27 18 o 1.642000       1.271000      156.4683      -90.8  
1 1 1 30 27 19 o -0.3431000     1.252000      105.6527      101.7  
1 1 1 30 27 20 o -2.110000      1.251000      55.08115      155.3  
1 1 1 30 27 21 o 2.729000       1.272000      210.3189      28.7   
1 1 1 30 27 22 o 6.054000       1.424000      182.3145      44.4   
1 1 1 30 27 23 o 3.733000       1.417000      189.6757      -92.9  
1 1 1 30 27 24 o 0.4354000      1.258000      155.5598      2.2    
1 1 1 30 27 25 o 2.438000       1.209000      199.2924      -47.9  
1 1 1 30 27 26 o 2.131000       1.201000      83.87153      110.7  
1 1 1 30 27 27 o 3.338000       1.236000      255.7414      -50.7  
1 1 1 30 27 28 o -0.7985000     1.231000      27.09896      -2.5   
1 1 1 30 27 29 o -0.7198000     1.179000      83.63651      35.7   
1 1 1 30 27 30 o -1.488000      1.193000      83.70810      -128.6 
1 1 1 30 27 31 o -0.3341000     1.237000      70.45860      -81.5  
1 1 1 30 27 32 o -0.1625000     1.405000      80.93254      69.4   
1 1 1 30 27 33 o -1.512000      1.230000      89.64333      151.8  
1 1 1 30 27 34 o 1.578000       1.212000      64.97359      119.3  
1 1 1 30 27 35 o -0.6824000     1.211000      ?             ?      
1 1 1 30 27 36 o 1.529000       1.235000      ?             ?      
1 1 1 30 27 37 o 0.7645000      1.246000      ?             ?      
1 1 1 30 27 38 o -1.380000      1.075000      ?             ?      
1 1 1 30 27 39 o 0.2803000      1.039000      ?             ?      
1 1 1 30 27 40 o 0.6483000      1.134000      ?             ?      
1 1 1 30 27 41 o -0.4314000     1.107000      ?             ?      
1 1 1 30 27 42 o -0.3891000     1.231000      ?             ?      
1 1 1 30 27 43 o 0.2606000      1.146000      ?             ?      
1 1 1 30 27 44 o -0.8247000     1.119000      ?             ?      
1 1 1 30 27 45 o 0.4172000      1.002000      ?             ?      
1 1 1 30 27 46 o -0.8096000     1.000000      ?             ?      
1 1 1 30 27 47 o 0.8928000      1.011000      ?             ?      
1 1 1 30 27 48 o -0.6733000     1.034000      ?             ?      
1 1 1 30 27 49 o -0.7241000     1.151000      ?             ?      
1 1 1 30 27 50 o -0.2940000     1.093000      ?             ?      
1 1 1 30 27 51 o -1.278000      1.136000      ?             ?      
1 1 1 30 27 52 o -1.860000      1.158000      ?             ?      
1 1 1 30 27 53 o -1.403000      1.435000      ?             ?      
1 1 1 30 27 54 o 0.5537000      1.301000      ?             ?      
1 1 1 30 27 55 o 2.190000       1.223000      ?             ?      
1 1 1 30 27 56 o -1.819000      1.378000      ?             ?      
1 1 1 30 27 57 o 1.569000       1.498000      ?             ?      
1 1 1 30 28 0  o -2.195000      1.229000      117.3743      -0.0   
1 1 1 30 28 1  o -0.6966000     0.8871000     75.66654      55.1   
1 1 1 30 28 2  o 1.244000       0.8742000     113.9363      -168.7 
1 1 1 30 28 3  o 1.484000       0.9861000     201.1221      11.1   
1 1 1 30 28 4  o 0.9593000E-01  0.9752000     252.5440      111.8  
1 1 1 30 28 5  o -0.3841000     1.119000      102.7575      -130.3 
1 1 1 30 28 6  o -1.062000      1.275000      125.0016      131.3  
1 1 1 30 28 7  o -1.994000      1.314000      150.0273      -108.9 
1 1 1 30 28 8  o 0.7824000      1.378000      108.4280      124.1  
1 1 1 30 28 9  o 0.8686000      1.212000      131.7231      76.7   
1 1 1 30 28 10 o -1.294000      1.009000      62.32698      -143.7 
1 1 1 30 28 11 o 0.4965000      1.024000      94.80151      30.0   
1 1 1 30 28 12 o -0.8517000     1.055000      110.8690      -72.7  
1 1 1 30 28 13 o -1.579000      1.078000      53.85859      -121.7 
1 1 1 30 28 14 o -1.097000      1.183000      146.0860      110.0  
1 1 1 30 28 15 o 1.813000       1.185000      142.4812      126.9  
1 1 1 30 28 16 o -1.603000      1.260000      114.0506      -50.5  
1 1 1 30 28 17 o -0.6314000     1.261000      20.49276      118.7  
1 1 1 30 28 18 o -2.099000      1.256000      54.37347      72.2   
1 1 1 30 28 19 o -0.5600000     1.226000      9.664286      -4.4   
1 1 1 30 28 20 o 1.508000       1.251000      148.7578      136.9  
1 1 1 30 28 21 o -0.1394000     1.241000      51.53078      6.2    
1 1 1 30 28 22 o 3.104000       1.296000      175.9407      -30.3  
1 1 1 30 28 23 o 4.735000       1.322000      253.6831      117.6  
1 1 1 30 28 24 o -1.240000      1.277000      14.12309      104.4  
1 1 1 30 28 25 o 0.9807000      1.403000      141.8480      1.8    
1 1 1 30 28 26 o 0.1190000      1.332000      149.4807      20.3   
1 1 1 30 28 27 o 1.074000       1.234000      125.0374      125.0  
1 1 1 30 28 28 o -0.9959000     1.539000      178.5408      65.0   
1 1 1 30 28 29 o 0.8150000      1.237000      116.9985      -0.6   
1 1 1 30 28 30 o 0.1652000      1.188000      68.91724      -83.7  
1 1 1 30 28 31 o 0.1170000E-02  1.205000      49.40734      151.3  
1 1 1 30 28 32 o 1.624000       1.301000      163.2512      135.4  
1 1 1 30 28 33 o 2.684000       1.211000      134.4434      22.5   
1 1 1 30 28 34 o 1.432000       1.209000      ?             ?      
1 1 1 30 28 35 o -1.227000      1.503000      ?             ?      
1 1 1 30 28 36 o 0.7793000      1.235000      ?             ?      
1 1 1 30 28 37 o -0.3318000     1.075000      ?             ?      
1 1 1 30 28 38 o -1.475000      1.102000      ?             ?      
1 1 1 30 28 39 o 0.1538000      1.112000      ?             ?      
1 1 1 30 28 40 o 2.479000       1.116000      ?             ?      
1 1 1 30 28 41 o -0.9036000E-01 1.072000      ?             ?      
1 1 1 30 28 42 o 0.5004000      1.083000      ?             ?      
1 1 1 30 28 43 o 0.9149000      1.216000      ?             ?      
1 1 1 30 28 44 o 0.1292000E-01  1.128000      ?             ?      
1 1 1 30 28 45 o -0.6261000     1.141000      ?             ?      
1 1 1 30 28 46 o -0.6148000     1.007000      ?             ?      
1 1 1 30 28 47 o -1.982000      1.114000      ?             ?      
1 1 1 30 28 48 o 0.9374000      1.153000      ?             ?      
1 1 1 30 28 49 o 0.5359000      1.107000      ?             ?      
1 1 1 30 28 50 o 0.5440000      1.040000      ?             ?      
1 1 1 30 28 51 o 0.2451000      1.065000      ?             ?      
1 1 1 30 28 52 o -0.1494000     1.199000      ?             ?      
1 1 1 30 28 53 o 0.1235000      1.420000      ?             ?      
1 1 1 30 28 54 o -1.059000      1.203000      ?             ?      
1 1 1 30 28 55 o 1.791000       1.278000      ?             ?      
1 1 1 30 28 56 o 0.4316000      1.482000      ?             ?      
1 1 1 30 29 0  o 0.6289000      1.252000      225.6297      -180.0 
1 1 1 30 29 1  o 1.043000       0.9598000     205.8568      145.8  
1 1 1 30 29 2  o 1.052000       0.8657000     80.01472      -111.6 
1 1 1 30 29 3  o 0.1206000      0.9081000     46.04707      -121.7 
1 1 1 30 29 4  o 0.5953000      0.9857000     113.1846      100.1  
1 1 1 30 29 5  o 1.364000       1.286000      88.61225      -115.6 
1 1 1 30 29 6  o -0.9729000     1.299000      17.12931      -96.9  
1 1 1 30 29 7  o 0.6498000      1.362000      70.49150      -130.3 
1 1 1 30 29 8  o 1.195000       1.425000      111.5428      71.2   
1 1 1 30 29 9  o 1.001000       1.138000      174.1491      -146.4 
1 1 1 30 29 10 o 0.7365000      1.115000      53.92727      14.4   
1 1 1 30 29 11 o -0.6162000E-01 1.025000      26.13537      -51.4  
1 1 1 30 29 12 o 0.7274000E-01  1.067000      109.2287      138.2  
1 1 1 30 29 13 o 0.1694000      1.161000      97.77016      -81.9  
1 1 1 30 29 14 o 1.686000       1.160000      40.87096      154.9  
1 1 1 30 29 15 o -2.837000      1.172000      72.09125      -44.4  
1 1 1 30 29 16 o 2.260000       1.188000      128.9309      -138.9 
1 1 1 30 29 17 o -0.3626000     1.304000      98.36578      100.7  
1 1 1 30 29 18 o -1.879000      1.294000      33.50686      161.0  
1 1 1 30 29 19 o -1.067000      1.266000      94.02807      169.4  
1 1 1 30 29 20 o -0.2350000     1.269000      22.98636      81.4   
1 1 1 30 29 21 o 2.229000       1.251000      95.85651      4.8    
1 1 1 30 29 22 o -2.700000      1.245000      95.11787      -156.7 
1 1 1 30 29 23 o -1.354000      1.277000      24.20307      -24.5  
1 1 1 30 29 24 o 1.996000       1.295000      109.4635      -109.5 
1 1 1 30 29 25 o -0.7901000     1.307000      91.71481      5.6    
1 1 1 30 29 26 o -0.1497000     1.299000      126.8965      107.1  
1 1 1 30 29 27 o -1.125000      1.463000      49.41440      4.9    
1 1 1 30 29 28 o 1.067000       1.999000      50.22254      113.5  
1 1 1 30 29 29 o -0.9093000E-01 2.179000      81.17767      -34.8  
1 1 1 30 29 30 o -0.9760000     1.278000      56.02192      -83.5  
1 1 1 30 29 31 o 0.7926000      1.200000      53.77054      53.3   
1 1 1 30 29 32 o -0.5409000     1.288000      ?             ?      
1 1 1 30 29 33 o 0.5323000E-01  1.224000      ?             ?      
1 1 1 30 29 34 o 1.314000       1.289000      ?             ?      
1 1 1 30 29 35 o -0.9814000     1.418000      ?             ?      
1 1 1 30 29 36 o -0.5525000     1.144000      ?             ?      
1 1 1 30 29 37 o 0.9250000      1.052000      ?             ?      
1 1 1 30 29 38 o 1.270000       1.069000      ?             ?      
1 1 1 30 29 39 o -1.044000      1.063000      ?             ?      
1 1 1 30 29 40 o -0.5238000     1.024000      ?             ?      
1 1 1 30 29 41 o 0.3293000E-01  1.188000      ?             ?      
1 1 1 30 29 42 o -0.3192000     1.187000      ?             ?      
1 1 1 30 29 43 o -1.115000      1.280000      ?             ?      
1 1 1 30 29 44 o 0.1186000      1.139000      ?             ?      
1 1 1 30 29 45 o -0.4864000     1.141000      ?             ?      
1 1 1 30 29 46 o -2.004000      1.152000      ?             ?      
1 1 1 30 29 47 o 0.4847000      1.085000      ?             ?      
1 1 1 30 29 48 o -0.3668000     1.018000      ?             ?      
1 1 1 30 29 49 o 0.8745000      1.031000      ?             ?      
1 1 1 30 29 50 o 1.557000       1.033000      ?             ?      
1 1 1 30 29 51 o -0.2668000E-01 1.091000      ?             ?      
1 1 1 30 29 52 o -1.723000      1.293000      ?             ?      
1 1 1 30 29 53 o -0.1484000     1.306000      ?             ?      
1 1 1 30 29 54 o -1.390000      1.512000      ?             ?      
1 1 1 30 29 55 o -1.142000      1.384000      ?             ?      
1 1 1 30 29 56 o -0.1902000     1.495000      ?             ?      
1 1 1 30 30 0  o -1.009000      1.250000      43.29119      -0.0   
1 1 1 30 30 1  o -1.195000      0.8813000     80.09677      -19.0  
1 1 1 30 30 2  o -2.043000      0.8901000     99.04478      152.0  
1 1 1 30 30 3  o 0.2844000      0.8962000     72.43716      61.7   
1 1 1 30 30 4  o -0.1685000     1.112000      121.6352      29.5   
1 1 1 30 30 5  o -0.8436000E-03 1.280000      29.96801      48.3   
1 1 1 30 30 6  o 1.400000       1.323000      62.15606      59.1   
1 1 1 30 30 7  o 0.1692000E-01  1.378000      57.53411      -102.2 
1 1 1 30 30 8  o -0.7719000     1.196000      51.35860      82.5   
1 1 1 30 30 9  o -2.769000      1.126000      17.82476      11.6   
1 1 1 30 30 10 o -0.8226000     1.109000      48.15860      -85.3  
1 1 1 30 30 11 o 0.8605000      1.150000      43.31300      -0.0   
1 1 1 30 30 12 o 0.2818000      1.095000      75.99063      -60.4  
1 1 1 30 30 13 o -0.3587000     1.190000      70.65693      -83.8  
1 1 1 30 30 14 o -1.142000      1.179000      41.17316      -14.6  
1 1 1 30 30 15 o 1.195000       1.197000      29.65411      -92.9  
1 1 1 30 30 16 o -1.621000      1.206000      33.60273      47.9   
1 1 1 30 30 17 o -2.408000      1.327000      36.21302      -161.0 
1 1 1 30 30 18 o 3.546000       1.357000      117.3629      -69.7  
1 1 1 30 30 19 o 0.9909000      1.321000      78.58094      -38.1  
1 1 1 30 30 20 o 0.3064000      1.290000      73.48639      179.9  
1 1 1 30 30 21 o 0.6609000      1.289000      48.65194      -67.9  
1 1 1 30 30 22 o -0.2864000E-01 1.290000      121.0439      31.3   
1 1 1 30 30 23 o 0.1577000      1.284000      92.33640      106.4  
1 1 1 30 30 24 o 0.8078000      1.295000      26.87673      -124.4 
1 1 1 30 30 25 f 1.412000       1.305000      5.632955      85.2   
1 1 1 30 30 26 o -0.4811000     1.296000      111.5187      143.5  
1 1 1 30 30 27 o -0.7888000     1.268000      44.84241      137.8  
1 1 1 30 30 28 o 1.409000       1.318000      119.6889      77.4   
1 1 1 30 30 29 o -1.038000      1.618000      41.65915      32.9   
1 1 1 30 30 30 o -1.034000      1.605000      67.92545      68.0   
1 1 1 30 30 31 o -2.198000      2.214000      ?             ?      
1 1 1 30 30 32 o 2.810000       1.319000      ?             ?      
1 1 1 30 30 33 o -1.584000      1.181000      ?             ?      
1 1 1 30 30 34 o -1.043000      1.421000      ?             ?      
1 1 1 30 30 35 o -0.2852000     1.416000      ?             ?      
1 1 1 30 30 36 o -1.588000      1.067000      ?             ?      
1 1 1 30 30 37 o 0.6999000E-01  1.065000      ?             ?      
1 1 1 30 30 38 o 1.382000       1.034000      ?             ?      
1 1 1 30 30 39 o 0.1805000      1.023000      ?             ?      
1 1 1 30 30 40 o -0.8545000     1.020000      ?             ?      
1 1 1 30 30 41 o -0.4995000     1.040000      ?             ?      
1 1 1 30 30 42 o 0.6772000      1.245000      ?             ?      
1 1 1 30 30 43 o -0.8707000     1.229000      ?             ?      
1 1 1 30 30 44 o 0.2037000      1.251000      ?             ?      
1 1 1 30 30 45 o -0.1520000     1.242000      ?             ?      
1 1 1 30 30 46 o -1.381000      1.224000      ?             ?      
1 1 1 30 30 47 o -0.8633000     1.035000      ?             ?      
1 1 1 30 30 48 o -1.005000      1.033000      ?             ?      
1 1 1 30 30 49 o 0.5364000      1.028000      ?             ?      
1 1 1 30 30 50 o 0.7650000E-01  1.035000      ?             ?      
1 1 1 30 30 51 o -0.4294000     1.292000      ?             ?      
1 1 1 30 30 52 o -1.742000      1.472000      ?             ?      
1 1 1 30 30 53 o 0.7486000      1.452000      ?             ?      
1 1 1 30 30 54 o 0.7650000      1.118000      ?             ?      
1 1 1 30 30 55 o 1.577000       1.184000      ?             ?      
1 1 1 30 31 0  o 1.301000       1.276000      7.108511      0.0    
1 1 1 30 31 1  o -0.1698000     0.8914000     25.77472      -6.3   
1 1 1 30 31 2  o 2.085000       0.8890000     95.98649      150.3  
1 1 1 30 31 3  o 0.7315000      0.9537000     25.18915      -177.6 
1 1 1 30 31 4  o 0.1457000      1.264000      62.73037      97.3   
1 1 1 30 31 5  o -1.784000      1.295000      53.09105      172.3  
1 1 1 30 31 6  o -1.592000      1.343000      20.86267      -173.5 
1 1 1 30 31 7  o -0.3345000     1.188000      54.55572      114.0  
1 1 1 30 31 8  o 1.347000       1.100000      45.23024      57.6   
1 1 1 30 31 9  o -1.944000      1.145000      44.15721      79.7   
1 1 1 30 31 10 o -0.5847000     1.146000      12.29628      13.0   
1 1 1 30 31 11 o -0.2797000     1.181000      27.95507      80.6   
1 1 1 30 31 12 o -1.245000      1.226000      8.894944      -130.8 
1 1 1 30 31 13 o -1.534000      1.185000      85.45875      9.1    
1 1 1 30 31 14 o -1.360000      1.180000      49.09764      -147.2 
1 1 1 30 31 15 o -0.4265000     1.129000      51.34833      -47.6  
1 1 1 30 31 16 o -0.6772000     1.238000      50.26915      82.0   
1 1 1 30 31 17 o 0.1827000      1.368000      25.79438      -157.3 
1 1 1 30 31 18 o -1.341000      1.357000      33.59087      -7.0   
1 1 1 30 31 19 o -0.1504000     1.329000      33.24307      6.9    
1 1 1 30 31 20 o -0.3025000     1.333000      51.19845      31.7   
1 1 1 30 31 21 o -0.2342000     1.340000      34.01946      -95.4  
1 1 1 30 31 22 o 0.3178000      1.329000      20.33036      -93.4  
1 1 1 30 31 23 o -0.5279000     1.333000      20.69995      128.4  
1 1 1 30 31 24 o -0.1920000     1.315000      80.64819      -90.5  
1 1 1 30 31 25 o 0.5825000      1.294000      42.44556      11.2   
1 1 1 30 31 26 o -2.180000      1.271000      81.58640      119.3  
1 1 1 30 31 27 o -2.132000      1.287000      12.84251      0.1    
1 1 1 30 31 28 o -0.3125000     1.300000      57.29215      -161.7 
1 1 1 30 31 29 o 0.5886000      1.641000      18.54612      -59.8  
1 1 1 30 31 30 o -0.6188000     1.653000      ?             ?      
1 1 1 30 31 31 o -1.808000      1.717000      ?             ?      
1 1 1 30 31 32 o -2.928000      2.300000      ?             ?      
1 1 1 30 31 33 o -2.297000      1.243000      ?             ?      
1 1 1 30 31 34 o 0.7849000      1.426000      ?             ?      
1 1 1 30 31 35 o 0.3123000      1.328000      ?             ?      
1 1 1 30 31 36 o -0.3609000     1.154000      ?             ?      
1 1 1 30 31 37 o -0.6366000     1.026000      ?             ?      
1 1 1 30 31 38 o -0.4962000E-01 1.017000      ?             ?      
1 1 1 30 31 39 o -0.2560000     1.013000      ?             ?      
1 1 1 30 31 40 o -1.346000      1.213000      ?             ?      
1 1 1 30 31 41 o -0.6411000     1.155000      ?             ?      
1 1 1 30 31 42 o -1.513000      1.064000      ?             ?      
1 1 1 30 31 43 o -0.4024000     1.075000      ?             ?      
1 1 1 30 31 44 o 0.8790000      1.115000      ?             ?      
1 1 1 30 31 45 o 0.5577000      1.317000      ?             ?      
1 1 1 30 31 46 o -0.2020000     1.164000      ?             ?      
1 1 1 30 31 47 o -0.1047000     1.068000      ?             ?      
1 1 1 30 31 48 o -0.7269000E-01 1.098000      ?             ?      
1 1 1 30 31 49 o 0.4756000      1.241000      ?             ?      
1 1 1 30 31 50 o 0.7711000      1.379000      ?             ?      
1 1 1 30 31 51 o 1.788000       1.556000      ?             ?      
1 1 1 30 31 52 o -0.5032000     1.186000      ?             ?      
1 1 1 30 31 53 o -0.5932000     1.125000      ?             ?      
1 1 1 30 31 54 o 0.5525000      1.157000      ?             ?      
1 1 1 30 32 0  o -1.295000      1.229000      65.21033      -0.0   
1 1 1 30 32 1  o 0.3715000      0.8570000     14.82323      -37.7  
1 1 1 30 32 2  o -0.2139000     0.9080000     28.91321      -157.9 
1 1 1 30 32 3  o -0.3949000     0.9730000     31.63250      20.8   
1 1 1 30 32 4  o -0.9190000     1.306000      76.19323      79.4   
1 1 1 30 32 5  o -0.3673000     1.352000      36.81407      -0.9   
1 1 1 30 32 6  o -1.644000      1.229000      35.91905      -103.0 
1 1 1 30 32 7  o 0.8365000      1.120000      36.58088      -133.4 
1 1 1 30 32 8  o 0.8136000E-01  1.150000      73.70168      168.4  
1 1 1 30 32 9  o -2.041000      1.150000      28.46685      -80.1  
1 1 1 30 32 10 o 0.5479000      1.208000      47.78247      -63.2  
1 1 1 30 32 11 o -0.7994000     1.224000      15.32066      -79.7  
1 1 1 30 32 12 o -1.012000      1.379000      17.98079      34.0   
1 1 1 30 32 13 o 1.978000       1.383000      40.46461      -11.3  
1 1 1 30 32 14 o -2.259000      1.215000      29.99926      113.9  
1 1 1 30 32 15 o -1.832000      1.129000      37.74149      -167.1 
1 1 1 30 32 16 o -0.2647000     1.241000      13.25631      73.0   
1 1 1 30 32 17 o -2.070000      1.396000      46.72403      -65.9  
1 1 1 30 32 18 o 0.2873000      1.411000      72.75491      0.1    
1 1 1 30 32 19 o -1.541000      1.377000      53.39766      164.7  
1 1 1 30 32 20 o -0.4811000     1.365000      17.67890      -154.7 
1 1 1 30 32 21 f -0.4851000     1.364000      76.41340      46.2   
1 1 1 30 32 22 o 0.2490000      1.352000      57.52216      46.7   
1 1 1 30 32 23 o -0.1080000     1.323000      32.24932      141.7  
1 1 1 30 32 24 o -0.5514000     1.307000      42.68444      177.2  
1 1 1 30 32 25 o -0.9645000E-01 1.284000      16.27683      -152.4 
1 1 1 30 32 26 o -0.3660000     1.282000      38.70499      -116.3 
1 1 1 30 32 27 o -1.269000      1.268000      61.66646      68.5   
1 1 1 30 32 28 o 1.645000       1.286000      ?             ?      
1 1 1 30 32 29 o -3.234000      1.647000      ?             ?      
1 1 1 30 32 30 o 0.9677000      1.656000      ?             ?      
1 1 1 30 32 31 o -0.4247000     2.270000      ?             ?      
1 1 1 30 32 32 o -2.025000      2.229000      ?             ?      
1 1 1 30 32 33 o 0.5831000E-01  1.860000      ?             ?      
1 1 1 30 32 34 o 0.9906000E-03  1.361000      ?             ?      
1 1 1 30 32 35 o 0.4676000      1.214000      ?             ?      
1 1 1 30 32 36 o -2.048000      1.132000      ?             ?      
1 1 1 30 32 37 o -2.057000      1.060000      ?             ?      
1 1 1 30 32 38 o -0.5330000     1.267000      ?             ?      
1 1 1 30 32 39 o -2.202000      1.092000      ?             ?      
1 1 1 30 32 40 o 0.5870000      1.067000      ?             ?      
1 1 1 30 32 41 o -0.8088000     0.9852000     ?             ?      
1 1 1 30 32 42 o 0.7285000      0.9989000     ?             ?      
1 1 1 30 32 43 o 0.5160000      1.069000      ?             ?      
1 1 1 30 32 44 o -0.1437000     1.081000      ?             ?      
1 1 1 30 32 45 o 0.6284000      1.212000      ?             ?      
1 1 1 30 32 46 o 0.5770000E-01  1.167000      ?             ?      
1 1 1 30 32 47 o 1.021000       1.355000      ?             ?      
1 1 1 30 32 48 o -1.037000      1.324000      ?             ?      
1 1 1 30 32 49 o 1.082000       1.148000      ?             ?      
1 1 1 30 32 50 o -1.496000      1.165000      ?             ?      
1 1 1 30 32 51 o -0.7249000E-01 1.494000      ?             ?      
1 1 1 30 32 52 o 1.856000       1.194000      ?             ?      
1 1 1 30 32 53 o -0.7580000     1.092000      ?             ?      
1 1 1 30 33 0  o 0.9200000E-01  1.233000      119.7660      -0.0   
1 1 1 30 33 1  o 0.1128000      0.9093000     76.32748      82.5   
1 1 1 30 33 2  o 0.3202000      0.9578000     11.40447      -161.6 
1 1 1 30 33 3  o -1.219000      0.9744000     60.48538      168.9  
1 1 1 30 33 4  o 0.5691000      1.408000      51.36271      116.5  
1 1 1 30 33 5  o 1.703000       1.407000      43.20663      -147.4 
1 1 1 30 33 6  o -0.6500000E-01 1.173000      69.24280      145.4  
1 1 1 30 33 7  o -0.1944000     1.177000      58.58252      130.0  
1 1 1 30 33 8  o -0.1463000     1.194000      53.36277      -171.3 
1 1 1 30 33 9  o -2.145000      1.206000      17.93478      171.8  
1 1 1 30 33 10 o 0.3856000      1.254000      39.57996      -141.5 
1 1 1 30 33 11 o -2.084000      1.276000      40.97851      23.5   
1 1 1 30 33 12 o -0.1827000     1.428000      56.32423      -62.1  
1 1 1 30 33 13 o -0.9146000     1.419000      30.06940      148.9  
1 1 1 30 33 14 o -1.123000      1.269000      39.64190      39.2   
1 1 1 30 33 15 o 0.2010000      1.249000      22.49126      -149.7 
1 1 1 30 33 16 o 0.8304000      1.267000      74.72897      -133.6 
1 1 1 30 33 17 o 0.4105000      1.393000      54.23087      -133.6 
1 1 1 30 33 18 o 1.175000       1.397000      80.24313      -20.4  
1 1 1 30 33 19 o 0.5895000E-01  1.391000      29.89712      -174.1 
1 1 1 30 33 20 o 1.297000       1.387000      14.84089      -166.3 
1 1 1 30 33 21 o -2.003000      1.351000      17.71864      -105.9 
1 1 1 30 33 22 o 0.8661000      1.360000      77.13526      -129.1 
1 1 1 30 33 23 o 1.314000       1.335000      16.86246      23.1   
1 1 1 30 33 24 o 1.964000       1.329000      33.53882      -30.8  
1 1 1 30 33 25 o -1.674000      1.323000      48.90100      -61.2  
1 1 1 30 33 26 o 0.1084000      1.288000      13.35909      117.6  
1 1 1 30 33 27 o -1.561000      1.260000      ?             ?      
1 1 1 30 33 28 o -0.7418000     1.288000      ?             ?      
1 1 1 30 33 29 o 3.209000       1.676000      ?             ?      
1 1 1 30 33 30 o -0.7146000     1.736000      ?             ?      
1 1 1 30 33 31 o 2.615000       2.297000      ?             ?      
1 1 1 30 33 32 o -0.4239000     1.734000      ?             ?      
1 1 1 30 33 33 o -0.2804000E-01 1.861000      ?             ?      
1 1 1 30 33 34 o -0.3904000E-01 1.544000      ?             ?      
1 1 1 30 33 35 o -0.2979000     1.390000      ?             ?      
1 1 1 30 33 36 o 0.6317000      1.329000      ?             ?      
1 1 1 30 33 37 o -1.549000      1.251000      ?             ?      
1 1 1 30 33 38 o -1.008000      1.164000      ?             ?      
1 1 1 30 33 39 o -0.3593000E-01 1.004000      ?             ?      
1 1 1 30 33 40 o -0.3063000E-01 0.9957000     ?             ?      
1 1 1 30 33 41 o -0.3382000     1.023000      ?             ?      
1 1 1 30 33 42 o -0.9662000     1.019000      ?             ?      
1 1 1 30 33 43 o -0.5204000     0.9883000     ?             ?      
1 1 1 30 33 44 o 1.109000       1.089000      ?             ?      
1 1 1 30 33 45 o -1.921000      1.233000      ?             ?      
1 1 1 30 33 46 o 1.218000       1.725000      ?             ?      
1 1 1 30 33 47 o 0.1896000      1.183000      ?             ?      
1 1 1 30 33 48 o -1.784000      1.174000      ?             ?      
1 1 1 30 33 49 o -0.9401000     1.078000      ?             ?      
1 1 1 30 33 50 o 1.008000       1.244000      ?             ?      
1 1 1 30 33 51 o -0.2216000     1.184000      ?             ?      
1 1 1 30 33 52 o -0.5942000     1.125000      ?             ?      
1 1 1 30 33 53 o -0.6505000     1.913000      ?             ?      
1 1 1 30 34 0  o -0.2412000     1.278000      45.25754      -180.0 
1 1 1 30 34 1  o 0.7095000      0.9308000     46.13656      35.2   
1 1 1 30 34 2  o 3.215000       1.005000      100.6393      -127.2 
1 1 1 30 34 3  o 1.885000       0.9967000     68.50097      -81.6  
1 1 1 30 34 4  o 0.5213000      1.441000      65.09996      -144.1 
1 1 1 30 34 5  o 0.3258000E-01  1.199000      55.49126      3.5    
1 1 1 30 34 6  o -0.2353000     1.227000      165.9637      -62.4  
1 1 1 30 34 7  o 3.392000       1.226000      156.0250      -144.9 
1 1 1 30 34 8  o 0.1398000      1.223000      26.23785      -69.8  
1 1 1 30 34 9  o -0.6941000     1.274000      107.0280      -62.9  
1 1 1 30 34 10 o -0.8548000     1.310000      48.33636      53.1   
1 1 1 30 34 11 o 2.543000       1.470000      106.4270      -46.8  
1 1 1 30 34 12 o 2.881000       1.444000      147.4487      -163.8 
1 1 1 30 34 13 o 1.443000       1.437000      33.22216      -179.6 
1 1 1 30 34 14 o -0.5546000     1.270000      103.1055      -136.6 
1 1 1 30 34 15 o 0.9624000      1.413000      11.49384      -59.9  
1 1 1 30 34 16 o 0.5732000      1.258000      91.95023      48.2   
1 1 1 30 34 17 o -0.9003000     1.414000      88.37376      78.4   
1 1 1 30 34 18 o 0.1186000      1.385000      24.12833      115.3  
1 1 1 30 34 19 o -0.2652000E-01 1.380000      4.265466      164.8  
1 1 1 30 34 20 o 1.379000       1.366000      53.70865      -7.4   
1 1 1 30 34 21 o 0.9115000      1.365000      72.81745      -37.5  
1 1 1 30 34 22 o 1.544000       1.360000      19.94062      33.7   
1 1 1 30 34 23 o 0.5661000      1.335000      39.99246      -24.6  
1 1 1 30 34 24 o 2.067000       1.350000      30.53168      -112.5 
1 1 1 30 34 25 o -0.6648000     1.316000      ?             ?      
1 1 1 30 34 26 o -1.777000      1.294000      ?             ?      
1 1 1 30 34 27 o 0.1332000      1.295000      ?             ?      
1 1 1 30 34 28 o -0.6503000     1.284000      ?             ?      
1 1 1 30 34 29 o -0.1810000     1.652000      ?             ?      
1 1 1 30 34 30 o -1.905000      2.196000      ?             ?      
1 1 1 30 34 31 o 0.4110000      2.207000      ?             ?      
1 1 1 30 34 32 o -0.1235000     1.664000      ?             ?      
1 1 1 30 34 33 o -1.617000      1.701000      ?             ?      
1 1 1 30 34 34 o -0.2568000     1.529000      ?             ?      
1 1 1 30 34 35 o -1.156000      1.615000      ?             ?      
1 1 1 30 34 36 o 0.7288000      1.089000      ?             ?      
1 1 1 30 34 37 o 0.8559000      0.9944000     ?             ?      
1 1 1 30 34 38 o 0.2608000      0.9988000     ?             ?      
1 1 1 30 34 39 o -1.006000      0.9976000     ?             ?      
1 1 1 30 34 40 o 1.276000       1.034000      ?             ?      
1 1 1 30 34 41 o 0.3663000      1.028000      ?             ?      
1 1 1 30 34 42 o -0.1462000     1.056000      ?             ?      
1 1 1 30 34 43 o 1.410000       1.087000      ?             ?      
1 1 1 30 34 44 o 1.602000       1.232000      ?             ?      
1 1 1 30 34 45 o -0.3429000     1.124000      ?             ?      
1 1 1 30 34 46 o -1.107000      1.097000      ?             ?      
1 1 1 30 34 47 o -0.1767000E-01 1.276000      ?             ?      
1 1 1 30 34 48 o 1.925000       1.261000      ?             ?      
1 1 1 30 34 49 o -0.8813000E-01 1.462000      ?             ?      
1 1 1 30 34 50 o -1.488000      1.228000      ?             ?      
1 1 1 30 34 51 o -0.9023000     1.110000      ?             ?      
1 1 1 30 34 52 o -1.658000      1.321000      ?             ?      
1 1 1 30 35 0  o -0.9771000     1.372000      54.72079      -180.0 
1 1 1 30 35 1  f -0.7284000E-01 0.9736000     60.43385      -169.5 
1 1 1 30 35 2  o -1.478000      1.002000      32.23476      -64.9  
1 1 1 30 35 3  o 0.8125000      1.082000      84.94823      2.7    
1 1 1 30 35 4  o -0.3030000     1.354000      178.0180      41.7   
1 1 1 30 35 5  o -1.033000      1.228000      139.8617      -44.6  
1 1 1 30 35 6  o -0.7645000     1.258000      71.09482      -161.4 
1 1 1 30 35 7  o -0.8632000     1.232000      32.63458      -96.8  
1 1 1 30 35 8  o 3.720000       1.264000      175.4907      -118.4 
1 1 1 30 35 9  o 2.111000       1.313000      100.7680      76.4   
1 1 1 30 35 10 o 1.169000       1.329000      137.2590      -4.0   
1 1 1 30 35 11 o 0.7711000      1.469000      49.59370      -53.3  
1 1 1 30 35 12 o -1.117000      1.435000      84.89458      -72.0  
1 1 1 30 35 13 o -0.2772000     1.291000      48.27835      -91.3  
1 1 1 30 35 14 o 0.4284000      1.276000      114.1880      168.2  
1 1 1 30 35 15 o 0.9817000      1.421000      116.3455      -97.0  
1 1 1 30 35 16 o -0.3032000     1.444000      105.4166      -117.2 
1 1 1 30 35 17 o -0.4590000     1.406000      69.35390      76.9   
1 1 1 30 35 18 o 1.636000       1.389000      35.91143      -56.6  
1 1 1 30 35 19 o -2.212000      1.387000      13.02691      166.3  
1 1 1 30 35 20 o 2.572000       1.400000      106.1065      -112.6 
1 1 1 30 35 21 o -0.8286000     1.375000      140.5321      90.5   
1 1 1 30 35 22 o 0.4620000      1.366000      85.54803      -38.4  
1 1 1 30 35 23 o 2.442000       1.373000      ?             ?      
1 1 1 30 35 24 o 1.594000       1.368000      ?             ?      
1 1 1 30 35 25 o -0.4375000     1.339000      ?             ?      
1 1 1 30 35 26 o 0.9839000      1.323000      ?             ?      
1 1 1 30 35 27 o 0.6857000      1.314000      ?             ?      
1 1 1 30 35 28 o 0.1769000      1.300000      ?             ?      
1 1 1 30 35 29 o 2.164000       2.210000      ?             ?      
1 1 1 30 35 30 o 2.425000       2.187000      ?             ?      
1 1 1 30 35 31 o 2.162000       1.570000      ?             ?      
1 1 1 30 35 32 o 0.2530000      1.742000      ?             ?      
1 1 1 30 35 33 o 1.192000       2.234000      ?             ?      
1 1 1 30 35 34 o -1.953000      2.100000      ?             ?      
1 1 1 30 35 35 o -0.4491000     1.282000      ?             ?      
1 1 1 30 35 36 o -0.5816000     1.265000      ?             ?      
1 1 1 30 35 37 o 1.070000       1.089000      ?             ?      
1 1 1 30 35 38 o -0.4228000     0.9852000     ?             ?      
1 1 1 30 35 39 o 0.3536000      0.9766000     ?             ?      
1 1 1 30 35 40 o -0.4864000     1.047000      ?             ?      
1 1 1 30 35 41 o -2.189000      1.104000      ?             ?      
1 1 1 30 35 42 o -1.437000      1.100000      ?             ?      
1 1 1 30 35 43 o 0.2901000      1.045000      ?             ?      
1 1 1 30 35 44 o -0.2803000     1.046000      ?             ?      
1 1 1 30 35 45 o 0.5668000      1.085000      ?             ?      
1 1 1 30 35 46 o 0.6870000E-01  1.094000      ?             ?      
1 1 1 30 35 47 o 1.008000       1.148000      ?             ?      
1 1 1 30 35 48 o 0.4405000      1.295000      ?             ?      
1 1 1 30 35 49 o -2.320000      1.391000      ?             ?      
1 1 1 30 35 50 o -1.531000      1.144000      ?             ?      
1 1 1 30 35 51 o -1.673000      1.370000      ?             ?      
1 1 1 30 36 0  o -0.2565000E-01 1.495000      10.65801      0.0    
1 1 1 30 36 1  o -0.6249000     1.026000      10.09729      34.4   
1 1 1 30 36 2  o 0.3512000      1.105000      114.4928      -117.3 
1 1 1 30 36 3  o 0.1579000      1.077000      162.2712      97.0   
1 1 1 30 36 4  o -0.6577000     1.086000      107.8549      31.1   
1 1 1 30 36 5  o -0.6089000     1.228000      105.4794      7.1    
1 1 1 30 36 6  o 2.897000       1.274000      212.7941      4.9    
1 1 1 30 36 7  o 2.401000       1.251000      159.3582      -80.7  
1 1 1 30 36 8  o -0.6939000     1.279000      131.0279      -176.2 
1 1 1 30 36 9  o 2.162000       1.294000      64.67777      -18.0  
1 1 1 30 36 10 o 1.717000       1.477000      152.6750      100.4  
1 1 1 30 36 11 o 2.013000       1.431000      104.2781      -65.2  
1 1 1 30 36 12 o 1.993000       1.436000      168.9712      177.8  
1 1 1 30 36 13 o 1.516000       1.290000      172.3618      -15.2  
1 1 1 30 36 14 o 0.8453000      1.263000      55.11415      -36.2  
1 1 1 30 36 15 o 1.631000       1.425000      120.3464      139.2  
1 1 1 30 36 16 o 3.047000       1.446000      135.5725      123.5  
1 1 1 30 36 17 o 3.041000       1.684000      89.42236      -6.2   
1 1 1 30 36 18 o -1.087000      1.372000      27.96124      -55.1  
1 1 1 30 36 19 o -2.338000      1.365000      45.80322      -47.7  
1 1 1 30 36 20 o 1.561000       1.362000      32.44773      57.5   
1 1 1 30 36 21 o -0.4802000     1.372000      ?             ?      
1 1 1 30 36 22 o -1.151000      1.385000      ?             ?      
1 1 1 30 36 23 o 2.011000       1.390000      ?             ?      
1 1 1 30 36 24 o -0.5875000     1.356000      ?             ?      
1 1 1 30 36 25 o 0.3350000      1.356000      ?             ?      
1 1 1 30 36 26 o 0.9488000      1.323000      ?             ?      
1 1 1 30 36 27 o -0.4446000     1.319000      ?             ?      
1 1 1 30 36 28 o -1.136000      1.295000      ?             ?      
1 1 1 30 36 29 o 0.7557000      1.553000      ?             ?      
1 1 1 30 36 30 o 1.564000       2.229000      ?             ?      
1 1 1 30 36 31 o -1.776000      1.563000      ?             ?      
1 1 1 30 36 32 o -2.381000      1.544000      ?             ?      
1 1 1 30 36 33 o 2.980000       2.133000      ?             ?      
1 1 1 30 36 34 o 0.3836000      2.095000      ?             ?      
1 1 1 30 36 35 o 0.6955000      1.278000      ?             ?      
1 1 1 30 36 36 o 2.312000       1.279000      ?             ?      
1 1 1 30 36 37 o 3.199000       1.287000      ?             ?      
1 1 1 30 36 38 o 0.6280000      1.268000      ?             ?      
1 1 1 30 36 39 o -0.5612000     1.066000      ?             ?      
1 1 1 30 36 40 o -0.5945000     0.9934000     ?             ?      
1 1 1 30 36 41 o 0.3623000      1.003000      ?             ?      
1 1 1 30 36 42 o 0.2989000      1.002000      ?             ?      
1 1 1 30 36 43 o -0.5171000     1.003000      ?             ?      
1 1 1 30 36 44 o -0.8064000     0.9952000     ?             ?      
1 1 1 30 36 45 o -1.019000      0.9996000     ?             ?      
1 1 1 30 36 46 o -1.183000      1.187000      ?             ?      
1 1 1 30 36 47 o -0.3434000     1.238000      ?             ?      
1 1 1 30 36 48 o 1.842000       1.581000      ?             ?      
1 1 1 30 36 49 o 0.4781000      1.439000      ?             ?      
1 1 1 30 36 50 o -1.022000      1.602000      ?             ?      
1 1 1 30 37 0  o 0.1768000      1.546000      8.698512      -180.0 
1 1 1 30 37 1  o 0.9741000      1.250000      111.6194      -81.9  
1 1 1 30 37 2  o 0.4840000      1.157000      59.84428      150.5  
1 1 1 30 37 3  o -0.7239000E-01 1.084000      73.78452      -154.6 
1 1 1 30 37 4  o 0.7638000      1.078000      114.8699      141.6  
1 1 1 30 37 5  o -1.581000      1.188000      37.78666      -124.9 
1 1 1 30 37 6  o 0.6975000      1.236000      113.4248      -112.7 
1 1 1 30 37 7  o 1.958000       1.249000      93.96167      82.0   
1 1 1 30 37 8  o 3.071000       1.302000      168.7496      -36.4  
1 1 1 30 37 9  o 1.021000       1.361000      138.4215      -139.5 
1 1 1 30 37 10 o -0.5892000     1.473000      149.8626      -38.4  
1 1 1 30 37 11 o 0.8730000      1.416000      77.96664      -20.0  
1 1 1 30 37 12 o 1.235000       1.405000      31.73543      -72.2  
1 1 1 30 37 13 o -1.525000      1.254000      85.10595      82.5   
1 1 1 30 37 14 o 1.204000       1.257000      28.42627      -2.2   
1 1 1 30 37 15 o -1.589000      1.405000      74.57587      -99.6  
1 1 1 30 37 16 o 1.031000       1.447000      144.2720      137.0  
1 1 1 30 37 17 o 1.903000       1.671000      30.54004      30.0   
1 1 1 30 37 18 o -0.3145000     1.636000      61.29622      127.7  
1 1 1 30 37 19 o -0.5390000     1.344000      ?             ?      
1 1 1 30 37 20 o 0.2400000      1.355000      ?             ?      
1 1 1 30 37 21 o -0.1194000     1.389000      ?             ?      
1 1 1 30 37 22 o 0.4947000E-01  1.364000      ?             ?      
1 1 1 30 37 23 o 1.504000       1.364000      ?             ?      
1 1 1 30 37 24 o -1.163000      1.347000      ?             ?      
1 1 1 30 37 25 o 0.8903000E-01  1.344000      ?             ?      
1 1 1 30 37 26 o -1.366000      1.327000      ?             ?      
1 1 1 30 37 27 o -0.9852000     1.369000      ?             ?      
1 1 1 30 37 28 o 0.2370000      1.628000      ?             ?      
1 1 1 30 37 29 o 1.447000       2.166000      ?             ?      
1 1 1 30 37 30 o 0.8803000      1.543000      ?             ?      
1 1 1 30 37 31 o -1.164000      1.550000      ?             ?      
1 1 1 30 37 32 o 0.6050000      2.067000      ?             ?      
1 1 1 30 37 33 o 1.396000       2.051000      ?             ?      
1 1 1 30 37 34 f 1.079000       1.583000      ?             ?      
1 1 1 30 37 35 o -0.6581000     1.307000      ?             ?      
1 1 1 30 37 36 o 2.182000       1.325000      ?             ?      
1 1 1 30 37 37 o -1.178000      1.604000      ?             ?      
1 1 1 30 37 38 o 1.076000       1.187000      ?             ?      
1 1 1 30 37 39 o 0.4678000      1.221000      ?             ?      
1 1 1 30 37 40 o -0.5329000     1.006000      ?             ?      
1 1 1 30 37 41 o -0.1701000     0.9884000     ?             ?      
1 1 1 30 37 42 o -0.1259000     0.9866000     ?             ?      
1 1 1 30 37 43 o 0.3539000      0.9970000     ?             ?      
1 1 1 30 37 44 o 2.708000       1.457000      ?             ?      
1 1 1 30 37 45 o 0.1054000E-01  1.008000      ?             ?      
1 1 1 30 37 46 o -0.2873000     1.070000      ?             ?      
1 1 1 30 37 47 o -0.3210000     1.163000      ?             ?      
1 1 1 30 37 48 o -1.278000      1.416000      ?             ?      
1 1 1 30 37 49 f 0.7932000      1.562000      ?             ?      
1 1 1 30 38 0  o 0.6325000      1.618000      43.28529      180.0  
1 1 1 30 38 1  o 3.197000       1.280000      161.8273      -41.0  
1 1 1 30 38 2  o 1.571000       1.235000      197.7016      -47.0  
1 1 1 30 38 3  o -1.142000      1.168000      93.46079      100.1  
1 1 1 30 38 4  o -0.5658000     1.065000      62.72942      37.0   
1 1 1 30 38 5  o 2.424000       1.195000      234.1481      28.8   
1 1 1 30 38 6  o 1.674000       1.218000      122.4243      -12.0  
1 1 1 30 38 7  o -2.071000      1.208000      33.29300      -158.2 
1 1 1 30 38 8  o 0.4247000      1.269000      96.33985      -166.3 
1 1 1 30 38 9  o 2.910000       1.307000      302.6230      41.4   
1 1 1 30 38 10 o -0.8705000     1.396000      57.69076      -155.4 
1 1 1 30 38 11 o -0.1851000     1.394000      93.00235      146.0  
1 1 1 30 38 12 o 0.3524000E-01  1.241000      103.2207      169.4  
1 1 1 30 38 13 o -1.407000      1.276000      36.91184      19.8   
1 1 1 30 38 14 o -0.1405000     1.258000      139.6046      -179.4 
1 1 1 30 38 15 o 1.367000       1.398000      72.71498      -151.8 
1 1 1 30 38 16 o 0.5596000      1.407000      ?             ?      
1 1 1 30 38 17 o -0.4871000     1.419000      ?             ?      
1 1 1 30 38 18 o 0.8084000      1.609000      ?             ?      
1 1 1 30 38 19 o 0.5634000      1.592000      ?             ?      
1 1 1 30 38 20 o 0.9060000      1.383000      ?             ?      
1 1 1 30 38 21 o 0.4467000E-01  1.352000      ?             ?      
1 1 1 30 38 22 o -1.210000      1.346000      ?             ?      
1 1 1 30 38 23 o -0.7949000     1.359000      ?             ?      
1 1 1 30 38 24 o 2.195000       1.361000      ?             ?      
1 1 1 30 38 25 o 3.158000       1.398000      ?             ?      
1 1 1 30 38 26 o 0.3396000      1.337000      ?             ?      
1 1 1 30 38 27 o 2.427000       1.605000      ?             ?      
1 1 1 30 38 28 o -2.378000      1.567000      ?             ?      
1 1 1 30 38 29 o 0.1267000      1.562000      ?             ?      
1 1 1 30 38 30 o -0.4853000     1.529000      ?             ?      
1 1 1 30 38 31 o -1.424000      1.539000      ?             ?      
1 1 1 30 38 32 o -2.320000      2.095000      ?             ?      
1 1 1 30 38 33 o -1.295000      2.121000      ?             ?      
1 1 1 30 38 34 o 1.333000       1.604000      ?             ?      
1 1 1 30 38 35 o 0.8979000      1.624000      ?             ?      
1 1 1 30 38 36 o 2.238000       1.302000      ?             ?      
1 1 1 30 38 37 o 1.065000       1.300000      ?             ?      
1 1 1 30 38 38 o -0.1206000     1.223000      ?             ?      
1 1 1 30 38 39 o 0.9588000      1.209000      ?             ?      
1 1 1 30 38 40 o -0.5675000     1.211000      ?             ?      
1 1 1 30 38 41 o -0.6647000     1.021000      ?             ?      
1 1 1 30 38 42 f 0.3679000      0.9896000     ?             ?      
1 1 1 30 38 43 o 1.415000       0.9942000     ?             ?      
1 1 1 30 38 44 o 0.5383000      1.010000      ?             ?      
1 1 1 30 38 45 o 0.8994000E-03  1.024000      ?             ?      
1 1 1 30 38 46 o -0.5061000     1.070000      ?             ?      
1 1 1 30 38 47 o 1.496000       1.214000      ?             ?      
1 1 1 30 38 48 o 0.1614000      1.694000      ?             ?      
1 1 1 30 39 0  o 0.5747000      2.052000      59.00541      -180.0 
1 1 1 30 39 1  o 0.5116000      1.251000      168.1187      -100.5 
1 1 1 30 39 2  o -0.3366000     1.183000      37.99286      46.1   
1 1 1 30 39 3  o -0.4178000     1.180000      111.7552      143.2  
1 1 1 30 39 4  o -0.8470000     1.013000      161.6203      147.6  
1 1 1 30 39 5  o -0.4524000     1.187000      148.9683      -116.5 
1 1 1 30 39 6  o -0.1668000     1.181000      96.31411      136.5  
1 1 1 30 39 7  o 3.932000       1.255000      241.4194      29.7   
1 1 1 30 39 8  o 1.823000       1.273000      276.8437      -137.9 
1 1 1 30 39 9  o -2.109000      1.381000      76.46891      -123.4 
1 1 1 30 39 10 o 0.1165000      1.379000      131.8168      -48.9  
1 1 1 30 39 11 o 1.011000       1.371000      79.73032      44.7   
1 1 1 30 39 12 o 1.264000       1.218000      ?             ?      
1 1 1 30 39 13 o 1.942000       1.248000      ?             ?      
1 1 1 30 39 14 o 0.3690000      1.229000      ?             ?      
1 1 1 30 39 15 f 2.067000       1.379000      ?             ?      
1 1 1 30 39 16 o 2.389000       1.390000      ?             ?      
1 1 1 30 39 17 o -0.4822000     1.403000      ?             ?      
1 1 1 30 39 18 o 0.2725000      1.613000      ?             ?      
1 1 1 30 39 19 o -0.2725000     1.649000      ?             ?      
1 1 1 30 39 20 o -3.020000      1.599000      ?             ?      
1 1 1 30 39 21 o -1.705000      1.342000      ?             ?      
1 1 1 30 39 22 o 2.491000       1.402000      ?             ?      
1 1 1 30 39 23 o 1.676000       1.400000      ?             ?      
1 1 1 30 39 24 o 0.2409000      1.328000      ?             ?      
1 1 1 30 39 25 o 1.087000       1.319000      ?             ?      
1 1 1 30 39 26 o -0.2376000     1.340000      ?             ?      
1 1 1 30 39 27 o -0.6960000     1.575000      ?             ?      
1 1 1 30 39 28 o 1.583000       1.568000      ?             ?      
1 1 1 30 39 29 o -2.761000      1.541000      ?             ?      
1 1 1 30 39 30 o 0.6272000      1.588000      ?             ?      
1 1 1 30 39 31 o -1.658000      2.117000      ?             ?      
1 1 1 30 39 32 o -0.1268000E-01 2.107000      ?             ?      
1 1 1 30 39 33 o -1.644000      1.513000      ?             ?      
1 1 1 30 39 34 o 2.500000       1.593000      ?             ?      
1 1 1 30 39 35 o 0.8824000      1.609000      ?             ?      
1 1 1 30 39 36 o 0.8248000      1.305000      ?             ?      
1 1 1 30 39 37 o 0.5416000      1.303000      ?             ?      
1 1 1 30 39 38 o 0.2283000E-01  1.255000      ?             ?      
1 1 1 30 39 39 o -0.4557000     1.215000      ?             ?      
1 1 1 30 39 40 o -0.3078000     1.212000      ?             ?      
1 1 1 30 39 41 o -1.170000      1.194000      ?             ?      
1 1 1 30 39 42 o -1.961000      1.232000      ?             ?      
1 1 1 30 39 43 o 0.6703000      1.008000      ?             ?      
1 1 1 30 39 44 o 0.4639000      1.001000      ?             ?      
1 1 1 30 39 45 o 0.7541000      1.053000      ?             ?      
1 1 1 30 39 46 o -0.1462000     1.121000      ?             ?      
1 1 1 30 39 47 o -0.5398000     1.390000      ?             ?      
1 1 1 30 40 0  o 2.263000       1.900000      117.8233      -0.0   
1 1 1 30 40 1  o 0.6956000      1.309000      195.9954      -91.6  
1 1 1 30 40 2  o 0.2510000      1.180000      89.85643      -84.2  
1 1 1 30 40 3  o 4.056000       1.061000      203.1619      -175.0 
1 1 1 30 40 4  o 0.5981000      1.054000      103.9736      -17.4  
1 1 1 30 40 5  o 1.465000       1.157000      ?             ?      
1 1 1 30 40 6  o 0.3209000      1.149000      ?             ?      
1 1 1 30 40 7  o 1.727000       1.207000      ?             ?      
1 1 1 30 40 8  o -1.540000      1.222000      ?             ?      
1 1 1 30 40 9  o -0.4496000     1.385000      ?             ?      
1 1 1 30 40 10 o 0.3841000      1.370000      ?             ?      
1 1 1 30 40 11 o -0.7441000     1.200000      ?             ?      
1 1 1 30 40 12 o 1.869000       1.208000      ?             ?      
1 1 1 30 40 13 o -2.478000      1.208000      ?             ?      
1 1 1 30 40 14 o 1.299000       1.217000      ?             ?      
1 1 1 30 40 15 o -0.4060000     1.579000      ?             ?      
1 1 1 30 40 16 o -0.9481000     1.592000      ?             ?      
1 1 1 30 40 17 o 2.196000       1.402000      ?             ?      
1 1 1 30 40 18 o -0.5952000     1.654000      ?             ?      
1 1 1 30 40 19 o -2.167000      1.609000      ?             ?      
1 1 1 30 40 20 o 3.044000       1.664000      ?             ?      
1 1 1 30 40 21 o 0.1049000      1.586000      ?             ?      
1 1 1 30 40 22 o -0.4663000     1.324000      ?             ?      
1 1 1 30 40 23 o -0.7489000     1.304000      ?             ?      
1 1 1 30 40 24 o -0.9664000     1.312000      ?             ?      
1 1 1 30 40 25 o 1.478000       1.316000      ?             ?      
1 1 1 30 40 26 o -2.472000      1.545000      ?             ?      
1 1 1 30 40 27 o -0.8814000     1.564000      ?             ?      
1 1 1 30 40 28 o 0.8828000      1.343000      ?             ?      
1 1 1 30 40 29 o -1.033000      1.556000      ?             ?      
1 1 1 30 40 30 o 0.3225000      1.571000      ?             ?      
1 1 1 30 40 31 o 1.220000       2.080000      ?             ?      
1 1 1 30 40 32 o 0.8217000E-01  2.058000      ?             ?      
1 1 1 30 40 33 o 0.2770000      1.561000      ?             ?      
1 1 1 30 40 34 o 2.192000       1.571000      ?             ?      
1 1 1 30 40 35 o -0.5627000     1.601000      ?             ?      
1 1 1 30 40 36 o 1.024000       1.334000      ?             ?      
1 1 1 30 40 37 o -1.070000      1.319000      ?             ?      
1 1 1 30 40 38 o 2.088000       1.326000      ?             ?      
1 1 1 30 40 39 o 2.205000       1.264000      ?             ?      
1 1 1 30 40 40 o 0.2221000      1.219000      ?             ?      
1 1 1 30 40 41 o 1.857000       1.082000      ?             ?      
1 1 1 30 40 42 o -0.2665000     2.161000      ?             ?      
1 1 1 30 40 43 o -0.5013000     1.260000      ?             ?      
1 1 1 30 40 44 o -0.4580000     1.047000      ?             ?      
1 1 1 30 40 45 o 0.8265000      1.600000      ?             ?      
1 1 1 30 40 46 o 1.074000       1.385000      ?             ?      
1 1 1 30 41 0  o -0.1690000     1.600000      ?             ?      
1 1 1 30 41 1  o -0.5497000     1.256000      ?             ?      
1 1 1 30 41 2  o 1.938000       1.161000      ?             ?      
1 1 1 30 41 3  o 1.598000       1.020000      ?             ?      
1 1 1 30 41 4  o -0.8604000     1.015000      ?             ?      
1 1 1 30 41 5  o 0.7339000E-01  1.162000      ?             ?      
1 1 1 30 41 6  o 1.556000       1.173000      ?             ?      
1 1 1 30 41 7  o 0.3359000      1.185000      ?             ?      
1 1 1 30 41 8  o 0.8648000      1.326000      ?             ?      
1 1 1 30 41 9  o -0.1662000     1.317000      ?             ?      
1 1 1 30 41 10 o 0.2016000      1.346000      ?             ?      
1 1 1 30 41 11 o -2.151000      1.181000      ?             ?      
1 1 1 30 41 12 o -0.6610000     1.342000      ?             ?      
1 1 1 30 41 13 o 0.9515000      1.347000      ?             ?      
1 1 1 30 41 14 o -0.7478000E-01 1.192000      ?             ?      
1 1 1 30 41 15 o 0.8305000      1.340000      ?             ?      
1 1 1 30 41 16 o 1.311000       1.371000      ?             ?      
1 1 1 30 41 17 o 5.207000       1.467000      ?             ?      
1 1 1 30 41 18 o 0.7546000      1.651000      ?             ?      
1 1 1 30 41 19 o 0.7659000      1.572000      ?             ?      
1 1 1 30 41 20 o 0.5349000      1.561000      ?             ?      
1 1 1 30 41 21 o 0.7535000      1.538000      ?             ?      
1 1 1 30 41 22 o -3.683000      1.541000      ?             ?      
1 1 1 30 41 23 o 1.705000       1.318000      ?             ?      
1 1 1 30 41 24 o -1.443000      1.310000      ?             ?      
1 1 1 30 41 25 o -2.326000      1.561000      ?             ?      
1 1 1 30 41 26 o -1.095000      1.602000      ?             ?      
1 1 1 30 41 27 o 2.359000       1.598000      ?             ?      
1 1 1 30 41 28 o -0.4018000     1.313000      ?             ?      
1 1 1 30 41 29 o -0.1401000     1.549000      ?             ?      
1 1 1 30 41 30 o 0.4453000      2.059000      ?             ?      
1 1 1 30 41 31 o -1.930000      2.072000      ?             ?      
1 1 1 30 41 32 o 2.432000       1.571000      ?             ?      
1 1 1 30 41 33 o 0.3471000      1.549000      ?             ?      
1 1 1 30 41 34 o 2.299000       1.607000      ?             ?      
1 1 1 30 41 35 o -0.8587000     1.604000      ?             ?      
1 1 1 30 41 36 o 0.9102000      1.690000      ?             ?      
1 1 1 30 41 37 o 1.176000       1.359000      ?             ?      
1 1 1 30 41 38 o -0.9100000     1.326000      ?             ?      
1 1 1 30 41 39 o 1.072000       1.275000      ?             ?      
1 1 1 30 41 40 f -0.5348000     1.244000      ?             ?      
1 1 1 30 41 41 o -0.9883000     1.234000      ?             ?      
1 1 1 30 41 42 o 0.6099000      1.216000      ?             ?      
1 1 1 30 41 43 o -0.7442000     1.234000      ?             ?      
1 1 1 30 41 44 o 1.963000       1.443000      ?             ?      
1 1 1 30 41 45 o 3.860000       2.440000      ?             ?      
1 1 1 30 42 0  o 1.112000       1.534000      ?             ?      
1 1 1 30 42 1  o -0.6683000     1.161000      ?             ?      
1 1 1 30 42 2  o 0.5976000      1.110000      ?             ?      
1 1 1 30 42 3  o -0.1131000     1.142000      ?             ?      
1 1 1 30 42 4  o 1.464000       0.9907000     ?             ?      
1 1 1 30 42 5  o 1.375000       1.217000      ?             ?      
1 1 1 30 42 6  o 2.913000       1.201000      ?             ?      
1 1 1 30 42 7  o -0.3777000     1.181000      ?             ?      
1 1 1 30 42 8  o 0.4029000      1.333000      ?             ?      
1 1 1 30 42 9  o -0.3930000     1.316000      ?             ?      
1 1 1 30 42 10 o 0.1665000      1.343000      ?             ?      
1 1 1 30 42 11 o -0.8908000     1.168000      ?             ?      
1 1 1 30 42 12 o -1.506000      1.175000      ?             ?      
1 1 1 30 42 13 o 1.164000       1.195000      ?             ?      
1 1 1 30 42 14 o -0.7808000     1.195000      ?             ?      
1 1 1 30 42 15 o 1.245000       1.366000      ?             ?      
1 1 1 30 42 16 o -0.7335000     1.373000      ?             ?      
1 1 1 30 42 17 o 0.1614000      1.341000      ?             ?      
1 1 1 30 42 18 o 0.3159000      1.578000      ?             ?      
1 1 1 30 42 19 o 0.4829000      1.533000      ?             ?      
1 1 1 30 42 20 o 1.786000       1.524000      ?             ?      
1 1 1 30 42 21 o 2.091000       1.538000      ?             ?      
1 1 1 30 42 22 o 0.1739000      1.548000      ?             ?      
1 1 1 30 42 23 o -0.8078000     1.529000      ?             ?      
1 1 1 30 42 24 o -2.588000      1.548000      ?             ?      
1 1 1 30 42 25 o 1.982000       2.118000      ?             ?      
1 1 1 30 42 26 o -0.1131000     1.570000      ?             ?      
1 1 1 30 42 27 o 1.950000       1.304000      ?             ?      
1 1 1 30 42 28 o -0.9535000     1.289000      ?             ?      
1 1 1 30 42 29 o -0.5237000     1.541000      ?             ?      
1 1 1 30 42 30 o 1.782000       2.066000      ?             ?      
1 1 1 30 42 31 o -2.814000      2.023000      ?             ?      
1 1 1 30 42 32 o 1.920000       1.555000      ?             ?      
1 1 1 30 42 33 o 6.191000       1.611000      ?             ?      
1 1 1 30 42 34 o -0.8096000E-01 1.523000      ?             ?      
1 1 1 30 42 35 o 0.7835000      1.634000      ?             ?      
1 1 1 30 42 36 o 0.9990000      1.704000      ?             ?      
1 1 1 30 42 37 o -0.2911000     1.363000      ?             ?      
1 1 1 30 42 38 o 0.5999000      1.358000      ?             ?      
1 1 1 30 42 39 o -0.8287000     1.340000      ?             ?      
1 1 1 30 42 40 o -2.337000      1.267000      ?             ?      
1 1 1 30 42 41 o 0.4605000      1.264000      ?             ?      
1 1 1 30 42 42 o 0.6681000      1.261000      ?             ?      
1 1 1 30 42 43 o 0.3022000      1.453000      ?             ?      
1 1 1 30 42 44 < 0.000000       -1.000000     ?             ?      
1 1 1 30 43 0  o 1.167000       1.531000      ?             ?      
1 1 1 30 43 1  f -0.3541000     0.9959000     ?             ?      
1 1 1 30 43 2  o -0.7528000     1.047000      ?             ?      
1 1 1 30 43 3  o 1.099000       1.129000      ?             ?      
1 1 1 30 43 4  o -0.6515000     0.9782000     ?             ?      
1 1 1 30 43 5  o -1.018000      1.411000      ?             ?      
1 1 1 30 43 6  o 0.3876000      1.227000      ?             ?      
1 1 1 30 43 7  o 0.7347000      1.647000      ?             ?      
1 1 1 30 43 8  o 0.5096000      1.609000      ?             ?      
1 1 1 30 43 9  o 0.6573000      1.313000      ?             ?      
1 1 1 30 43 10 o -1.272000      1.155000      ?             ?      
1 1 1 30 43 11 o 0.7624000      1.169000      ?             ?      
1 1 1 30 43 12 o 0.1579000      1.204000      ?             ?      
1 1 1 30 43 13 o 0.2281000      1.210000      ?             ?      
1 1 1 30 43 14 o 2.273000       1.176000      ?             ?      
1 1 1 30 43 15 o 1.051000       1.307000      ?             ?      
1 1 1 30 43 16 o -2.669000      1.299000      ?             ?      
1 1 1 30 43 17 o 1.221000       1.305000      ?             ?      
1 1 1 30 43 18 o 3.659000       1.568000      ?             ?      
1 1 1 30 43 19 o 0.4029000      1.509000      ?             ?      
1 1 1 30 43 20 o -2.489000      1.541000      ?             ?      
1 1 1 30 43 21 o -1.544000      1.507000      ?             ?      
1 1 1 30 43 22 o -1.386000      1.472000      ?             ?      
1 1 1 30 43 23 o -0.1672000     1.543000      ?             ?      
1 1 1 30 43 24 o 0.5567000      2.122000      ?             ?      
1 1 1 30 43 25 o -1.948000      2.089000      ?             ?      
1 1 1 30 43 26 o 0.2427000      1.305000      ?             ?      
1 1 1 30 43 27 o -0.7157000     1.279000      ?             ?      
1 1 1 30 43 28 o -1.127000      1.301000      ?             ?      
1 1 1 30 43 29 o -2.385000      1.569000      ?             ?      
1 1 1 30 43 30 o -2.370000      2.062000      ?             ?      
1 1 1 30 43 31 o -1.711000      1.532000      ?             ?      
1 1 1 30 43 32 o 0.2226000E-03  1.555000      ?             ?      
1 1 1 30 43 33 o 1.547000       1.539000      ?             ?      
1 1 1 30 43 34 o 2.483000       1.648000      ?             ?      
1 1 1 30 43 35 o -2.063000      1.676000      ?             ?      
1 1 1 30 43 36 o -0.7661000     1.394000      ?             ?      
1 1 1 30 43 37 o -0.8077000     1.341000      ?             ?      
1 1 1 30 43 38 o 1.827000       1.368000      ?             ?      
1 1 1 30 43 39 o 0.4127000      1.355000      ?             ?      
1 1 1 30 43 40 o -0.5266000     1.292000      ?             ?      
1 1 1 30 43 41 o -0.1017000     1.271000      ?             ?      
1 1 1 30 43 42 o 2.182000       1.663000      ?             ?      
1 1 1 30 44 0  o 2.387000       1.247000      ?             ?      
1 1 1 30 44 1  o 0.1112000      0.9837000     ?             ?      
1 1 1 30 44 2  o -1.346000      1.009000      ?             ?      
1 1 1 30 44 3  o 1.118000       1.130000      ?             ?      
1 1 1 30 44 4  o -0.1101000     1.323000      ?             ?      
1 1 1 30 44 5  o -1.296000      1.540000      ?             ?      
1 1 1 30 44 6  o -1.171000      1.213000      ?             ?      
1 1 1 30 44 7  o 1.017000       1.385000      ?             ?      
1 1 1 30 44 8  o 0.4070000      1.299000      ?             ?      
1 1 1 30 44 9  o 1.338000       1.357000      ?             ?      
1 1 1 30 44 10 o -0.1957000     1.167000      ?             ?      
1 1 1 30 44 11 o -0.8200000     1.125000      ?             ?      
1 1 1 30 44 12 o 4.640000       1.288000      ?             ?      
1 1 1 30 44 13 o -1.644000      1.137000      ?             ?      
1 1 1 30 44 14 o -0.4889000     1.148000      ?             ?      
1 1 1 30 44 15 o -0.8519000     1.267000      ?             ?      
1 1 1 30 44 16 o 2.194000       1.306000      ?             ?      
1 1 1 30 44 17 o 0.2079000      1.286000      ?             ?      
1 1 1 30 44 18 o 1.364000       1.546000      ?             ?      
1 1 1 30 44 19 o 2.058000       1.481000      ?             ?      
1 1 1 30 44 20 o -0.6185000     1.496000      ?             ?      
1 1 1 30 44 21 o 0.1441000      1.475000      ?             ?      
1 1 1 30 44 22 o 0.1054000      1.483000      ?             ?      
1 1 1 30 44 23 o -3.650000      2.018000      ?             ?      
1 1 1 30 44 24 o 2.615000       2.104000      ?             ?      
1 1 1 30 44 25 o -0.1319000     1.593000      ?             ?      
1 1 1 30 44 26 o 0.7205000      1.505000      ?             ?      
1 1 1 30 44 27 o 0.4596000E-01  1.317000      ?             ?      
1 1 1 30 44 28 o -1.514000      1.315000      ?             ?      
1 1 1 30 44 29 o -0.1515000     1.588000      ?             ?      
1 1 1 30 44 30 o -1.538000      2.085000      ?             ?      
1 1 1 30 44 31 o 1.547000       1.548000      ?             ?      
1 1 1 30 44 32 o 0.5840000      1.527000      ?             ?      
1 1 1 30 44 33 o -0.5083000     1.566000      ?             ?      
1 1 1 30 44 34 o -1.555000      1.632000      ?             ?      
1 1 1 30 44 35 o -2.136000      1.663000      ?             ?      
1 1 1 30 44 36 o -0.6069000     1.675000      ?             ?      
1 1 1 30 44 37 o -0.2175000     1.399000      ?             ?      
1 1 1 30 44 38 o -2.656000      1.371000      ?             ?      
1 1 1 30 44 39 o -1.255000      1.358000      ?             ?      
1 1 1 30 44 40 o 1.390000       1.390000      ?             ?      
1 1 1 30 44 41 o -1.332000      1.790000      ?             ?      
1 1 1 30 45 0  o -0.7442000     1.225000      ?             ?      
1 1 1 30 45 1  o 0.6828000      0.9851000     ?             ?      
1 1 1 30 45 2  o 1.090000       1.238000      ?             ?      
1 1 1 30 45 3  o -1.081000      1.280000      ?             ?      
1 1 1 30 45 4  o 0.2392000      1.115000      ?             ?      
1 1 1 30 45 5  o -0.8291000     1.379000      ?             ?      
1 1 1 30 45 6  o 2.088000       1.575000      ?             ?      
1 1 1 30 45 7  o 0.9371000E-02  1.560000      ?             ?      
1 1 1 30 45 8  o 0.6686000      1.309000      ?             ?      
1 1 1 30 45 9  o 0.4324000      1.111000      ?             ?      
1 1 1 30 45 10 o -1.701000      1.116000      ?             ?      
1 1 1 30 45 11 o 0.9795000E-01  1.118000      ?             ?      
1 1 1 30 45 12 o 0.3893000      1.135000      ?             ?      
1 1 1 30 45 13 o 0.2015000      1.149000      ?             ?      
1 1 1 30 45 14 o 0.3078000      1.151000      ?             ?      
1 1 1 30 45 15 o 0.2971000      1.316000      ?             ?      
1 1 1 30 45 16 o -0.7347000     1.282000      ?             ?      
1 1 1 30 45 17 o -0.7533000     1.284000      ?             ?      
1 1 1 30 45 18 o 0.6168000E-01  1.498000      ?             ?      
1 1 1 30 45 19 o 1.148000       1.494000      ?             ?      
1 1 1 30 45 20 o 1.863000       1.503000      ?             ?      
1 1 1 30 45 21 o -1.135000      1.460000      ?             ?      
1 1 1 30 45 22 o -1.479000      1.505000      ?             ?      
1 1 1 30 45 23 o -1.305000      2.070000      ?             ?      
1 1 1 30 45 24 o -0.5680000     2.079000      ?             ?      
1 1 1 30 45 25 o 0.2822000      1.514000      ?             ?      
1 1 1 30 45 26 o 0.1813000      1.533000      ?             ?      
1 1 1 30 45 27 o -0.2456000     1.517000      ?             ?      
1 1 1 30 45 28 o -0.2895000     1.554000      ?             ?      
1 1 1 30 45 29 o 0.3949000E-02  1.561000      ?             ?      
1 1 1 30 45 30 o -0.4375000     1.524000      ?             ?      
1 1 1 30 45 31 o 3.241000       1.575000      ?             ?      
1 1 1 30 45 32 o -0.1454000     1.551000      ?             ?      
1 1 1 30 45 33 o 1.829000       3.086000      ?             ?      
1 1 1 30 45 34 o -1.239000      1.616000      ?             ?      
1 1 1 30 45 35 o -0.1576000     1.617000      ?             ?      
1 1 1 30 45 36 o 2.908000       3.184000      ?             ?      
1 1 1 30 45 37 o 0.4255000      1.450000      ?             ?      
1 1 1 30 45 38 o -2.560000      1.407000      ?             ?      
1 1 1 30 45 39 o -0.9762000     1.738000      ?             ?      
1 1 1 30 46 0  o 1.837000       1.446000      ?             ?      
1 1 1 30 46 1  o 1.207000       0.9546000     ?             ?      
1 1 1 30 46 2  o -0.8765000     0.9989000     ?             ?      
1 1 1 30 46 3  o 1.227000       1.072000      ?             ?      
1 1 1 30 46 4  o -0.7000000     1.331000      ?             ?      
1 1 1 30 46 5  o 1.153000       1.368000      ?             ?      
1 1 1 30 46 6  o -1.177000      1.303000      ?             ?      
1 1 1 30 46 7  o 0.3709000      1.261000      ?             ?      
1 1 1 30 46 8  o 1.083000       1.265000      ?             ?      
1 1 1 30 46 9  o -0.7608000E-01 1.109000      ?             ?      
1 1 1 30 46 10 o 0.4492000      1.130000      ?             ?      
1 1 1 30 46 11 o 1.592000       1.159000      ?             ?      
1 1 1 30 46 12 o -0.6917000     1.158000      ?             ?      
1 1 1 30 46 13 o 1.336000       1.166000      ?             ?      
1 1 1 30 46 14 o 1.458000       1.131000      ?             ?      
1 1 1 30 46 15 o 0.1487000      1.231000      ?             ?      
1 1 1 30 46 16 o -0.4981000E-02 1.228000      ?             ?      
1 1 1 30 46 17 o 0.6079000      1.439000      ?             ?      
1 1 1 30 46 18 o -0.3810000     1.507000      ?             ?      
1 1 1 30 46 19 o 1.496000       1.498000      ?             ?      
1 1 1 30 46 20 o 1.772000       1.474000      ?             ?      
1 1 1 30 46 21 o 0.6667000      1.491000      ?             ?      
1 1 1 30 46 22 o 0.9767000      2.036000      ?             ?      
1 1 1 30 46 23 o -0.3027000     2.051000      ?             ?      
1 1 1 30 46 24 o -1.412000      1.517000      ?             ?      
1 1 1 30 46 25 o -0.4830000     1.480000      ?             ?      
1 1 1 30 46 26 o -0.5515000     1.518000      ?             ?      
1 1 1 30 46 27 o -0.2529000     1.569000      ?             ?      
1 1 1 30 46 28 o -0.5791000     2.085000      ?             ?      
1 1 1 30 46 29 o 0.6917000      1.599000      ?             ?      
1 1 1 30 46 30 o -0.9655000     1.344000      ?             ?      
1 1 1 30 46 31 o 1.908000       1.578000      ?             ?      
1 1 1 30 46 32 o 3.227000       1.637000      ?             ?      
1 1 1 30 46 33 o 0.2402000      1.626000      ?             ?      
1 1 1 30 46 34 o 0.7833000E-01  1.048000      ?             ?      
1 1 1 30 46 35 o 0.5444000      3.152000      ?             ?      
1 1 1 30 46 36 o -0.8080000     1.665000      ?             ?      
1 1 1 30 46 37 o -0.8541000E-02 1.366000      ?             ?      
1 1 1 30 46 38 o -1.011000      1.858000      ?             ?      
1 1 1 30 47 0  o 0.6617000      1.252000      ?             ?      
1 1 1 30 47 1  o -1.080000      0.8539000     ?             ?      
1 1 1 30 47 2  o -0.6628000     0.8416000     ?             ?      
1 1 1 30 47 3  o 0.5280000      1.113000      ?             ?      
1 1 1 30 47 4  o -0.1329000     1.137000      ?             ?      
1 1 1 30 47 5  o -0.9468000     1.334000      ?             ?      
1 1 1 30 47 6  o -0.1237000     1.291000      ?             ?      
1 1 1 30 47 7  o 0.7000000      1.251000      ?             ?      
1 1 1 30 47 8  o 0.6371000      1.117000      ?             ?      
1 1 1 30 47 9  o -0.2642000     1.124000      ?             ?      
1 1 1 30 47 10 o 3.356000       1.162000      ?             ?      
1 1 1 30 47 11 o -1.345000      1.114000      ?             ?      
1 1 1 30 47 12 o -0.1052000     1.104000      ?             ?      
1 1 1 30 47 13 o 0.2361000      1.111000      ?             ?      
1 1 1 30 47 14 o 0.4048000      1.126000      ?             ?      
1 1 1 30 47 15 o 0.5373000      1.248000      ?             ?      
1 1 1 30 47 16 o 0.1098000E-01  1.243000      ?             ?      
1 1 1 30 47 17 o 1.147000       1.452000      ?             ?      
1 1 1 30 47 18 o 0.7397000      1.527000      ?             ?      
1 1 1 30 47 19 o -0.5160000     1.458000      ?             ?      
1 1 1 30 47 20 o 0.5309000      1.495000      ?             ?      
1 1 1 30 47 21 o -1.734000      2.022000      ?             ?      
1 1 1 30 47 22 o 0.7541000      2.065000      ?             ?      
1 1 1 30 47 23 o -0.1478000     2.074000      ?             ?      
1 1 1 30 47 24 o -0.3366000E-02 1.502000      ?             ?      
1 1 1 30 47 25 o 0.7961000      1.518000      ?             ?      
1 1 1 30 47 26 o 1.075000       1.533000      ?             ?      
1 1 1 30 47 27 o -0.8731000     2.076000      ?             ?      
1 1 1 30 47 28 o -0.7055000     2.078000      ?             ?      
1 1 1 30 47 29 o -2.093000      1.576000      ?             ?      
1 1 1 30 47 30 o -1.440000      1.589000      ?             ?      
1 1 1 30 47 31 o 1.747000       1.661000      ?             ?      
1 1 1 30 47 32 o -1.153000      1.641000      ?             ?      
1 1 1 30 47 33 o 1.336000       1.666000      ?             ?      
1 1 1 30 47 34 o 1.376000       1.665000      ?             ?      
1 1 1 30 47 35 o -0.5548000     1.685000      ?             ?      
1 1 1 30 47 36 o 0.1865000      1.691000      ?             ?      
1 1 1 30 48 0  o -0.9987000     1.162000      ?             ?      
1 1 1 30 48 1  o -0.2688000E-01 0.8236000     ?             ?      
1 1 1 30 48 2  o 0.6467000      0.8361000     ?             ?      
1 1 1 30 48 3  o -0.3250000     1.115000      ?             ?      
1 1 1 30 48 4  o -0.8383000     1.253000      ?             ?      
1 1 1 30 48 5  o 2.370000       1.341000      ?             ?      
1 1 1 30 48 6  o 0.4948000      1.298000      ?             ?      
1 1 1 30 48 7  o -0.2343000     1.291000      ?             ?      
1 1 1 30 48 8  o -0.6869000     1.121000      ?             ?      
1 1 1 30 48 9  o -0.5623000     1.109000      ?             ?      
1 1 1 30 48 10 o -0.8373000E-01 1.142000      ?             ?      
1 1 1 30 48 11 o -1.570000      1.102000      ?             ?      
1 1 1 30 48 12 o 1.172000       1.111000      ?             ?      
1 1 1 30 48 13 o -0.5690000     1.115000      ?             ?      
1 1 1 30 48 14 o 0.7199000      1.122000      ?             ?      
1 1 1 30 48 15 o 1.460000       1.259000      ?             ?      
1 1 1 30 48 16 o -0.2477000     1.238000      ?             ?      
1 1 1 30 48 17 o 0.6870000E-01  1.451000      ?             ?      
1 1 1 30 48 18 o 0.8907000      1.492000      ?             ?      
1 1 1 30 48 19 o -0.9983000     1.477000      ?             ?      
1 1 1 30 48 20 o 0.3584000      1.511000      ?             ?      
1 1 1 30 48 21 o -2.002000      2.077000      ?             ?      
1 1 1 30 48 22 o -1.118000      2.092000      ?             ?      
1 1 1 30 48 23 o 1.403000       1.535000      ?             ?      
1 1 1 30 48 24 o -1.399000      1.534000      ?             ?      
1 1 1 30 48 25 o -1.696000      1.544000      ?             ?      
1 1 1 30 48 26 o -0.9440000     1.555000      ?             ?      
1 1 1 30 48 27 o 1.127000       2.083000      ?             ?      
1 1 1 30 48 28 o 0.4519000      2.071000      ?             ?      
1 1 1 30 48 29 o -0.5522000     1.561000      ?             ?      
1 1 1 30 48 30 o 1.358000       1.668000      ?             ?      
1 1 1 30 48 31 o 1.001000       1.183000      ?             ?      
1 1 1 30 48 32 o 1.448000       1.659000      ?             ?      
1 1 1 30 48 33 o -1.212000      1.626000      ?             ?      
1 1 1 30 48 34 o 1.329000       1.709000      ?             ?      
1 1 1 30 49 0  o -0.1901000     1.161000      ?             ?      
1 1 1 30 49 1  o 0.1707000      0.8474000     ?             ?      
1 1 1 30 49 2  o -0.3345000     0.8785000     ?             ?      
1 1 1 30 49 3  o 0.8363000      1.028000      ?             ?      
1 1 1 30 49 4  o -0.4545000     1.129000      ?             ?      
1 1 1 30 49 5  o 0.7421000      1.279000      ?             ?      
1 1 1 30 49 6  o 1.020000       1.198000      ?             ?      
1 1 1 30 49 7  o -0.7391000     1.232000      ?             ?      
1 1 1 30 49 8  o -1.263000      1.116000      ?             ?      
1 1 1 30 49 9  o -1.943000      1.176000      ?             ?      
1 1 1 30 49 10 o -0.1414000     1.184000      ?             ?      
1 1 1 30 49 11 o -0.3727000     1.205000      ?             ?      
1 1 1 30 49 12 o 0.5813000      1.119000      ?             ?      
1 1 1 30 49 13 o -1.773000      1.113000      ?             ?      
1 1 1 30 49 14 o 0.1889000      1.133000      ?             ?      
1 1 1 30 49 15 o 1.366000       1.252000      ?             ?      
1 1 1 30 49 16 o 1.686000       1.261000      ?             ?      
1 1 1 30 49 17 o 0.5900000      1.478000      ?             ?      
1 1 1 30 49 18 o 0.8650000      1.482000      ?             ?      
1 1 1 30 49 19 o -0.3896000E-01 1.464000      ?             ?      
1 1 1 30 49 20 o -0.2322000E-01 2.057000      ?             ?      
1 1 1 30 49 21 o -0.5104000     2.104000      ?             ?      
1 1 1 30 49 22 o -0.9072000     1.525000      ?             ?      
1 1 1 30 49 23 o -1.914000      1.515000      ?             ?      
1 1 1 30 49 24 o 0.3275000      1.531000      ?             ?      
1 1 1 30 49 25 o 0.4041000      1.567000      ?             ?      
1 1 1 30 49 26 o -0.6975000     2.119000      ?             ?      
1 1 1 30 49 27 o -3.631000      3.897000      ?             ?      
1 1 1 30 49 28 o -3.278000      1.572000      ?             ?      
1 1 1 30 49 29 o 1.012000       1.655000      ?             ?      
1 1 1 30 49 30 o -3.865000      1.669000      ?             ?      
1 1 1 30 49 31 o -1.112000      1.080000      ?             ?      
1 1 1 30 49 32 o 1.801000       1.699000      ?             ?      
1 1 1 30 49 33 < 0.000000       -1.000000     ?             ?      
1 1 1 30 50 0  o -0.3361000     1.240000      ?             ?      
1 1 1 30 50 1  o 0.4229000E-02  0.8780000     ?             ?      
1 1 1 30 50 2  o -0.3844000E-01 1.028000      ?             ?      
1 1 1 30 50 3  o -0.9860000     1.105000      ?             ?      
1 1 1 30 50 4  o -0.8885000E-01 0.9638000     ?             ?      
1 1 1 30 50 5  o -1.519000      1.270000      ?             ?      
1 1 1 30 50 6  o 0.2129000      1.205000      ?             ?      
1 1 1 30 50 7  o 1.273000       1.111000      ?             ?      
1 1 1 30 50 8  o -0.4337000     1.106000      ?             ?      
1 1 1 30 50 9  o -0.8532000     1.267000      ?             ?      
1 1 1 30 50 10 o 0.3175000      1.308000      ?             ?      
1 1 1 30 50 11 o -0.1593000     1.303000      ?             ?      
1 1 1 30 50 12 o -0.1018000     1.141000      ?             ?      
1 1 1 30 50 13 o -0.8497000     1.160000      ?             ?      
1 1 1 30 50 14 o -0.6508000     1.166000      ?             ?      
1 1 1 30 50 15 o -1.273000      1.259000      ?             ?      
1 1 1 30 50 16 o 0.5255000      1.273000      ?             ?      
1 1 1 30 50 17 o 1.178000       1.476000      ?             ?      
1 1 1 30 50 18 o 0.6033000      1.491000      ?             ?      
1 1 1 30 50 19 o -1.964000      2.027000      ?             ?      
1 1 1 30 50 20 o -0.9078000     2.050000      ?             ?      
1 1 1 30 50 21 o 0.1601000      2.042000      ?             ?      
1 1 1 30 50 22 o 0.3507000      1.523000      ?             ?      
1 1 1 30 50 23 o -1.134000      1.502000      ?             ?      
1 1 1 30 50 24 o -0.4899000E-01 1.548000      ?             ?      
1 1 1 30 50 25 o -1.826000      3.002000      ?             ?      
1 1 1 30 50 26 o 0.2495000      1.110000      ?             ?      
1 1 1 30 50 27 o -0.2121000     1.109000      ?             ?      
1 1 1 30 50 28 o 0.5321000      1.113000      ?             ?      
1 1 1 30 50 29 o 0.5132000      1.689000      ?             ?      
1 1 1 30 50 30 o -1.535000      3.146000      ?             ?      
1 1 1 30 51 0  o 0.6035000      1.475000      ?             ?      
1 1 1 30 51 1  o -0.3056000     0.9295000     ?             ?      
1 1 1 30 51 2  o 0.1471000      0.8381000     ?             ?      
1 1 1 30 51 3  o -0.4767000     0.9609000     ?             ?      
1 1 1 30 51 4  o -0.1600000     1.039000      ?             ?      
1 1 1 30 51 5  o 0.5316000      1.763000      ?             ?      
1 1 1 30 51 6  o 0.1795000      1.219000      ?             ?      
1 1 1 30 51 7  o -1.520000      1.094000      ?             ?      
1 1 1 30 51 8  o 1.122000       1.117000      ?             ?      
1 1 1 30 51 9  o 0.1794000      1.123000      ?             ?      
1 1 1 30 51 10 o 0.6048000      1.150000      ?             ?      
1 1 1 30 51 11 o -1.065000      1.166000      ?             ?      
1 1 1 30 51 12 o -0.8654000     1.189000      ?             ?      
1 1 1 30 51 13 o 1.134000       1.316000      ?             ?      
1 1 1 30 51 14 o -0.5897000     1.324000      ?             ?      
1 1 1 30 51 15 o 0.5042000      1.269000      ?             ?      
1 1 1 30 51 16 o -0.2295000     1.290000      ?             ?      
1 1 1 30 51 17 o 1.673000       1.496000      ?             ?      
1 1 1 30 51 18 o -0.1107000     1.513000      ?             ?      
1 1 1 30 51 19 o 0.1662000      2.092000      ?             ?      
1 1 1 30 51 20 o -5.255000      2.087000      ?             ?      
1 1 1 30 51 21 o -1.106000      1.174000      ?             ?      
1 1 1 30 51 22 o 0.3744000E-01  1.521000      ?             ?      
1 1 1 30 51 23 o 0.3494000      1.527000      ?             ?      
1 1 1 30 51 24 o -2.901000      1.593000      ?             ?      
1 1 1 30 51 25 o -0.9113000     2.573000      ?             ?      
1 1 1 30 51 26 o -2.041000      2.074000      ?             ?      
1 1 1 30 51 27 o -0.6637000     1.653000      ?             ?      
1 1 1 30 51 28 o 0.4373000      1.648000      ?             ?      
1 1 1 30 52 0  o 1.697000       1.182000      ?             ?      
1 1 1 30 52 1  o -0.3508000     0.8262000     ?             ?      
1 1 1 30 52 2  o -0.3864000     0.9391000     ?             ?      
1 1 1 30 52 3  o 0.2003000E-01  1.153000      ?             ?      
1 1 1 30 52 4  o -0.5601000E-01 1.169000      ?             ?      
1 1 1 30 52 5  o -0.7306000     1.239000      ?             ?      
1 1 1 30 52 6  o -0.1743000E-01 1.242000      ?             ?      
1 1 1 30 52 7  o -0.2219000     1.232000      ?             ?      
1 1 1 30 52 8  o 1.858000       1.474000      ?             ?      
1 1 1 30 52 9  o -0.5357000     1.284000      ?             ?      
1 1 1 30 52 10 o -0.4055000     1.151000      ?             ?      
1 1 1 30 52 11 o -0.9426000E-01 1.173000      ?             ?      
1 1 1 30 52 12 o 0.1460000      1.187000      ?             ?      
1 1 1 30 52 13 o 0.8057000      1.187000      ?             ?      
1 1 1 30 52 14 o -0.9352000     1.148000      ?             ?      
1 1 1 30 52 15 o 0.1908000      1.230000      ?             ?      
1 1 1 30 52 16 o -0.1392000     1.293000      ?             ?      
1 1 1 30 52 17 o 0.4988000      2.024000      ?             ?      
1 1 1 30 52 18 o -0.5726000     1.179000      ?             ?      
1 1 1 30 52 19 o -0.2040000     2.126000      ?             ?      
1 1 1 30 52 20 o 0.5857000      1.661000      ?             ?      
1 1 1 30 52 21 o 0.5496000      1.589000      ?             ?      
1 1 1 30 52 22 o 0.2708000E-01  1.579000      ?             ?      
1 1 1 30 52 23 o 0.7235000      1.618000      ?             ?      
1 1 1 30 52 24 o 1.435000       1.601000      ?             ?      
1 1 1 30 52 25 o -1.637000      2.162000      ?             ?      
1 1 1 30 52 26 o -0.3092000     4.547000      ?             ?      
1 1 1 30 53 0  o 0.3797000      1.187000      ?             ?      
1 1 1 30 53 1  o 0.6413000      0.8307000     ?             ?      
1 1 1 30 53 2  o 0.2278000      0.9299000     ?             ?      
1 1 1 30 53 3  o -1.078000      0.9394000     ?             ?      
1 1 1 30 53 4  o -0.7746000     0.9792000     ?             ?      
1 1 1 30 53 5  o 0.9826000      1.232000      ?             ?      
1 1 1 30 53 6  o 0.9013000      1.107000      ?             ?      
1 1 1 30 53 7  o -1.412000      1.146000      ?             ?      
1 1 1 30 53 8  o -0.5021000E-01 1.121000      ?             ?      
1 1 1 30 53 9  o 1.254000       1.148000      ?             ?      
1 1 1 30 53 10 o 1.182000       1.272000      ?             ?      
1 1 1 30 53 11 o 4.234000       2.804000      ?             ?      
1 1 1 30 53 12 o -1.578000      1.368000      ?             ?      
1 1 1 30 53 13 o -2.236000      1.190000      ?             ?      
1 1 1 30 53 14 o 0.8536000E-01  1.152000      ?             ?      
1 1 1 30 53 15 o -1.029000      1.161000      ?             ?      
1 1 1 30 53 16 o -0.5446000     1.262000      ?             ?      
1 1 1 30 53 17 o 1.263000       2.049000      ?             ?      
1 1 1 30 53 18 o 2.721000       2.067000      ?             ?      
1 1 1 30 53 19 o -0.2978000     4.146000      ?             ?      
1 1 1 30 53 20 o 0.2627000      2.115000      ?             ?      
1 1 1 30 53 21 o -0.3131000     2.127000      ?             ?      
1 1 1 30 53 22 o -0.4219000     2.085000      ?             ?      
1 1 1 30 53 23 o 2.868000       2.992000      ?             ?      
1 1 1 30 54 0  o -0.8493000     1.184000      ?             ?      
1 1 1 30 54 1  o -0.5299000     0.8388000     ?             ?      
1 1 1 30 54 2  o 0.6276000      0.9380000     ?             ?      
1 1 1 30 54 3  o 0.8895000      0.9687000     ?             ?      
1 1 1 30 54 4  o -0.1447000     0.9042000     ?             ?      
1 1 1 30 54 5  o -0.2576000     1.240000      ?             ?      
1 1 1 30 54 6  o -0.8124000     1.089000      ?             ?      
1 1 1 30 54 7  o -1.319000      1.971000      ?             ?      
1 1 1 30 54 8  o 0.6383000      1.119000      ?             ?      
1 1 1 30 54 9  o 1.355000       1.162000      ?             ?      
1 1 1 30 54 10 o -0.7410000     1.209000      ?             ?      
1 1 1 30 54 11 o -1.290000      1.346000      ?             ?      
1 1 1 30 54 12 o -0.1271000     1.183000      ?             ?      
1 1 1 30 54 13 o 0.1034000      1.210000      ?             ?      
1 1 1 30 54 14 o -0.3093000     1.340000      ?             ?      
1 1 1 30 54 15 o 1.942000       1.523000      ?             ?      
1 1 1 30 54 16 o -0.2256000     1.537000      ?             ?      
1 1 1 30 54 17 o 0.3713000      2.060000      ?             ?      
1 1 1 30 54 18 o -2.101000      2.123000      ?             ?      
1 1 1 30 54 19 o -0.2210000     1.575000      ?             ?      
1 1 1 30 54 20 o 2.136000       1.687000      ?             ?      
1 1 1 30 55 0  o 0.1403000      1.183000      ?             ?      
1 1 1 30 55 1  o -0.2245000     0.9280000     ?             ?      
1 1 1 30 55 2  o 1.019000       0.9402000     ?             ?      
1 1 1 30 55 3  o -1.681000      0.9760000     ?             ?      
1 1 1 30 55 4  o -0.2419000     0.9189000     ?             ?      
1 1 1 30 55 5  o 1.954000       1.252000      ?             ?      
1 1 1 30 55 6  o 0.9503000      1.097000      ?             ?      
1 1 1 30 55 7  o 1.338000       1.108000      ?             ?      
1 1 1 30 55 8  o -0.1925000     1.123000      ?             ?      
1 1 1 30 55 9  o 0.3893000      1.127000      ?             ?      
1 1 1 30 55 10 o 1.152000       1.166000      ?             ?      
1 1 1 30 55 11 o -1.368000      1.179000      ?             ?      
1 1 1 30 55 12 o 0.1569000      1.197000      ?             ?      
1 1 1 30 55 13 o 0.1724000      1.528000      ?             ?      
1 1 1 30 55 14 o -1.003000      2.776000      ?             ?      
1 1 1 30 55 15 o 0.8334000      1.519000      ?             ?      
1 1 1 30 55 16 o 1.344000       1.185000      ?             ?      
1 1 1 30 56 0  o 0.4478000      1.185000      ?             ?      
1 1 1 30 56 1  o 0.2236000E-01  0.9334000     ?             ?      
1 1 1 30 56 2  o 0.3107000      0.9417000     ?             ?      
1 1 1 30 56 3  o 0.1136000      0.9742000     ?             ?      
1 1 1 30 56 4  o -0.8374000     0.9624000     ?             ?      
1 1 1 30 56 5  o 0.9623000      1.195000      ?             ?      
1 1 1 30 56 6  o -1.633000      1.386000      ?             ?      
1 1 1 30 56 7  o 0.8121000      1.023000      ?             ?      
1 1 1 30 56 8  o -0.1715000     1.446000      ?             ?      
1 1 1 30 56 9  o 2.454000       2.677000      ?             ?      
1 1 1 30 56 10 o -0.3144000     1.454000      ?             ?      
1 1 1 30 56 11 < 0.000000       -1.000000     ?             ?      
1 1 1 31 0  1  o -0.7201000     1.546000      129.3747      90.0   
1 1 1 31 0  2  o -0.8800000     1.545000      93.64516      -180.0 
1 1 1 31 0  3  o -3.036000      1.544000      66.28374      90.0   
1 1 1 31 0  4  f -0.4378000     1.557000      135.1442      0.0    
1 1 1 31 0  5  o -0.3826000     1.529000      7.387530      90.0   
1 1 1 31 0  6  o -1.810000      1.507000      34.46045      180.0  
1 1 1 31 0  7  o 0.3458000      1.506000      3.986462      -90.0  
1 1 1 31 0  8  o -1.752000      1.532000      42.75566      180.0  
1 1 1 31 0  9  o -2.903000      1.566000      81.27090      90.0   
1 1 1 31 0  10 o -1.847000      1.588000      21.31993      0.0    
1 1 1 31 0  11 o 1.588000       1.592000      84.64561      -90.0  
1 1 1 31 0  12 o 0.9126000      1.576000      3.081267      -0.0   
1 1 1 31 0  13 o -1.168000      1.519000      160.1407      -90.0  
1 1 1 31 0  14 o -2.263000      1.503000      127.7786      180.0  
1 1 1 31 0  15 o -2.063000      1.496000      15.78960      90.0   
1 1 1 31 0  16 o -3.511000      1.512000      13.59950      0.0    
1 1 1 31 0  17 o 1.393000       1.504000      131.2127      -90.0  
1 1 1 31 0  18 o -0.9533000     1.485000      60.65396      0.0    
1 1 1 31 0  19 o 0.2427000      1.636000      10.42603      -90.0  
1 1 1 31 0  20 o 0.6330000      1.657000      157.4616      -0.0   
1 1 1 31 0  21 o 2.234000       2.019000      61.09737      90.0   
1 1 1 31 0  22 o 0.3539000      2.526000      132.7301      -0.0   
1 1 1 31 0  23 o -0.3739000     2.387000      28.24339      90.0   
1 1 1 31 0  24 o -4.054000      3.611000      23.76921      -0.0   
1 1 1 31 0  25 o -4.458000      2.050000      70.20224      90.0   
1 1 1 31 0  26 o -2.011000      2.025000      87.00571      -180.0 
1 1 1 31 0  27 o -0.7296000     1.594000      21.78016      90.0   
1 1 1 31 0  28 o 0.4606000      1.695000      34.44529      -0.0   
1 1 1 31 0  29 o 0.9737000      1.711000      88.82859      90.0   
1 1 1 31 0  30 o 0.9414000      1.690000      26.30539      -180.0 
1 1 1 31 0  31 o -0.3068000E-01 1.745000      24.32990      -90.0  
1 1 1 31 0  32 o -1.549000      1.741000      122.8690      -0.0   
1 1 1 31 0  33 o 0.2397000      1.743000      73.86930      90.0   
1 1 1 31 0  34 o -3.296000      1.725000      50.20498      -180.0 
1 1 1 31 0  35 o 3.906000       1.761000      117.2431      -90.0  
1 1 1 31 0  36 o -0.5321000     1.831000      77.92551      -0.0   
1 1 1 31 0  37 o -1.220000      2.076000      81.39374      90.0   
1 1 1 31 0  38 o -1.575000      2.088000      74.69870      -0.0   
1 1 1 31 0  39 o 1.155000       1.829000      66.43335      90.0   
1 1 1 31 0  40 o 1.079000       2.058000      39.00190      180.0  
1 1 1 31 0  41 o 1.980000       2.122000      5.840816      90.0   
1 1 1 31 0  42 o 2.005000       1.902000      91.31898      180.0  
1 1 1 31 0  43 o 0.2658000      1.879000      32.16938      -90.0  
1 1 1 31 0  44 o 0.9758000      1.858000      24.83845      0.0    
1 1 1 31 0  45 o -2.000000      1.846000      ?             ?      
1 1 1 31 0  46 o 3.830000       2.217000      ?             ?      
1 1 1 31 0  47 o -2.975000      2.697000      ?             ?      
1 1 1 31 0  48 o -1.309000      2.221000      ?             ?      
1 1 1 31 0  49 o 2.851000       2.782000      ?             ?      
1 1 1 31 0  50 o -0.1887000     1.937000      ?             ?      
1 1 1 31 0  51 o 0.6986000      2.124000      ?             ?      
1 1 1 31 0  52 o -1.605000      1.762000      ?             ?      
1 1 1 31 0  53 o 0.3828000      1.686000      ?             ?      
1 1 1 31 0  54 o -2.500000      1.651000      ?             ?      
1 1 1 31 0  55 o 0.5416000      1.640000      ?             ?      
1 1 1 31 0  56 o -1.778000      1.654000      ?             ?      
1 1 1 31 0  57 o -0.2211000     1.656000      ?             ?      
1 1 1 31 0  58 o -0.5984000E-01 1.678000      ?             ?      
1 1 1 31 0  59 o -0.1894000     1.705000      ?             ?      
1 1 1 31 0  60 o -1.388000      1.728000      ?             ?      
1 1 1 31 0  61 o 1.577000       1.764000      ?             ?      
1 1 1 31 0  62 o 1.580000       1.760000      ?             ?      
1 1 1 31 0  63 o -0.9454000     2.206000      ?             ?      
1 1 1 31 0  64 o -3.116000      2.614000      ?             ?      
1 1 1 31 1  0  o -0.5494000     1.561000      118.9714      -90.0  
1 1 1 31 1  1  o -0.9639000E-01 1.097000      167.6695      24.9   
1 1 1 31 1  2  o 0.3461000      1.078000      49.97427      -110.5 
1 1 1 31 1  3  o -0.6460000     1.103000      154.5548      -148.1 
1 1 1 31 1  4  o 0.7381000      1.109000      130.6006      -176.6 
1 1 1 31 1  5  o -0.7521000     1.082000      93.03663      23.5   
1 1 1 31 1  6  o -0.1878000     1.067000      77.16685      44.5   
1 1 1 31 1  7  o -2.956000      1.082000      30.96851      -138.7 
1 1 1 31 1  8  o -1.294000      1.116000      60.16914      163.4  
1 1 1 31 1  9  o -2.458000      1.118000      57.77843      -60.4  
1 1 1 31 1  10 o -0.7094000     1.124000      76.52589      -153.9 
1 1 1 31 1  11 o -0.2728000E-01 1.118000      73.78212      175.5  
1 1 1 31 1  12 o 0.2754000E-01  1.106000      56.34805      -92.4  
1 1 1 31 1  13 o -0.1039000     1.076000      129.2902      -131.8 
1 1 1 31 1  14 o 1.716000       1.070000      110.7453      -51.5  
1 1 1 31 1  15 o -0.3432000     1.062000      26.00125      63.7   
1 1 1 31 1  16 o -0.8080000     1.066000      37.69058      86.3   
1 1 1 31 1  17 o -0.5925000     1.062000      80.97578      -4.5   
1 1 1 31 1  18 o -0.1306000     1.061000      64.75335      -90.0  
1 1 1 31 1  19 o -1.288000      1.157000      72.21087      -95.8  
1 1 1 31 1  20 o -1.298000      1.178000      109.0283      161.5  
1 1 1 31 1  21 o 0.3828000E-01  1.506000      115.9865      141.2  
1 1 1 31 1  22 o -0.5444000     1.770000      35.37644      -42.6  
1 1 1 31 1  23 o 1.130000       1.830000      122.2676      -23.6  
1 1 1 31 1  24 o -1.205000      2.078000      62.11820      63.5   
1 1 1 31 1  25 o 0.9744000      1.622000      102.6960      -59.3  
1 1 1 31 1  26 o -1.831000      1.347000      27.50621      179.6  
1 1 1 31 1  27 o -0.2089000     1.200000      142.2620      121.5  
1 1 1 31 1  28 o -0.3461000     1.172000      40.21947      -26.6  
1 1 1 31 1  29 o 1.640000       1.222000      245.1752      174.8  
1 1 1 31 1  30 o -1.394000      1.207000      67.57061      56.2   
1 1 1 31 1  31 o 1.352000       1.234000      66.72170      87.0   
1 1 1 31 1  32 o -1.186000      1.245000      141.4724      171.1  
1 1 1 31 1  33 o 1.340000       1.234000      64.94145      81.6   
1 1 1 31 1  34 o 0.2844000      1.238000      31.28826      -156.5 
1 1 1 31 1  35 o 0.4544000      1.344000      159.3669      -163.8 
1 1 1 31 1  36 o 0.3796000      1.350000      68.40363      154.0  
1 1 1 31 1  37 o 0.8187000E-01  1.302000      70.75721      144.8  
1 1 1 31 1  38 o 0.7371000      1.385000      76.51089      -177.2 
1 1 1 31 1  39 o -1.428000      1.286000      137.7146      -139.5 
1 1 1 31 1  40 o -0.2663000     1.400000      112.7238      -133.6 
1 1 1 31 1  41 o 1.240000       1.341000      64.29240      -77.1  
1 1 1 31 1  42 o -0.4609000     1.337000      99.80400      83.8   
1 1 1 31 1  43 o -0.4107000     1.415000      79.56185      20.6   
1 1 1 31 1  44 o 0.6275000      1.306000      96.54024      71.7   
1 1 1 31 1  45 o 1.970000       1.415000      ?             ?      
1 1 1 31 1  46 o 2.198000       1.766000      ?             ?      
1 1 1 31 1  47 o -0.8449000     2.056000      ?             ?      
1 1 1 31 1  48 o 0.2028000      1.668000      ?             ?      
1 1 1 31 1  49 o -0.3670000     1.570000      ?             ?      
1 1 1 31 1  50 o -1.304000      1.293000      ?             ?      
1 1 1 31 1  51 o 1.103000       1.291000      ?             ?      
1 1 1 31 1  52 o 0.8226000      1.289000      ?             ?      
1 1 1 31 1  53 o 0.1522000      1.333000      ?             ?      
1 1 1 31 1  54 o 1.266000       1.319000      ?             ?      
1 1 1 31 1  55 o -0.6270000     1.151000      ?             ?      
1 1 1 31 1  56 o -0.4049000E-01 1.176000      ?             ?      
1 1 1 31 1  57 o -0.5718000     1.183000      ?             ?      
1 1 1 31 1  58 o 1.502000       1.693000      ?             ?      
1 1 1 31 1  59 o 0.6813000      1.221000      ?             ?      
1 1 1 31 1  60 o -1.041000      1.224000      ?             ?      
1 1 1 31 1  61 o 0.7712000      1.236000      ?             ?      
1 1 1 31 1  62 o -0.1940000     1.252000      ?             ?      
1 1 1 31 1  63 o -0.5263000     1.552000      ?             ?      
1 1 1 31 1  64 o 0.9859000      1.968000      ?             ?      
1 1 1 31 2  0  o -0.6263000     1.551000      47.81131      90.0   
1 1 1 31 2  1  o 0.1584000      1.094000      77.20472      -49.0  
1 1 1 31 2  2  o -0.6725000E-01 1.078000      75.43307      -47.4  
1 1 1 31 2  3  o -0.4012000     1.094000      152.1879      -54.4  
1 1 1 31 2  4  o -2.254000      1.103000      96.76057      -85.6  
1 1 1 31 2  5  o -0.4873000     1.098000      325.0320      -99.6  
1 1 1 31 2  6  o -1.087000      1.071000      67.28590      24.7   
1 1 1 31 2  7  o -1.208000      1.105000      145.6548      68.4   
1 1 1 31 2  8  o 0.9172000      1.106000      26.80302      -109.5 
1 1 1 31 2  9  o 0.8458000      1.131000      232.9119      -157.5 
1 1 1 31 2  10 o -0.1591000     1.120000      116.4757      6.0    
1 1 1 31 2  11 o 2.003000       1.124000      188.1758      -106.4 
1 1 1 31 2  12 o 0.3147000      1.110000      72.69678      37.3   
1 1 1 31 2  13 o -0.5304000     1.080000      97.94539      102.4  
1 1 1 31 2  14 o -0.6830000     1.074000      51.07553      -160.8 
1 1 1 31 2  15 f -0.1980000     1.065000      70.00623      56.0   
1 1 1 31 2  16 o 0.6245000      1.069000      32.66858      162.5  
1 1 1 31 2  17 o 1.591000       1.068000      52.49704      78.6   
1 1 1 31 2  18 o 0.6355000      1.121000      133.9224      -39.6  
1 1 1 31 2  19 o 0.9277000      1.128000      77.16891      -167.3 
1 1 1 31 2  20 o 1.073000       1.274000      123.1239      -10.1  
1 1 1 31 2  21 o -0.2733000     1.469000      76.31272      47.8   
1 1 1 31 2  22 o 0.1625000      1.712000      215.1161      98.5   
1 1 1 31 2  23 o -0.2686000     2.022000      115.5175      127.1  
1 1 1 31 2  24 o 1.765000       2.063000      63.84951      100.1  
1 1 1 31 2  25 o -0.4540000     2.115000      132.8616      -174.9 
1 1 1 31 2  26 o -0.6155000     1.244000      86.82858      67.9   
1 1 1 31 2  27 o -0.8202000     1.331000      65.46577      -14.2  
1 1 1 31 2  28 f 0.2369000      1.179000      22.72149      50.7   
1 1 1 31 2  29 o -2.421000      1.173000      73.49403      80.4   
1 1 1 31 2  30 o -1.036000      1.211000      132.4295      -110.2 
1 1 1 31 2  31 o -0.5953000     1.237000      81.08805      151.9  
1 1 1 31 2  32 o 0.9458000      1.347000      143.3979      -125.9 
1 1 1 31 2  33 o -0.9777000E-01 1.353000      47.69807      -12.9  
1 1 1 31 2  34 o -0.3486000     1.246000      128.6384      -42.1  
1 1 1 31 2  35 o -0.3209000     1.326000      49.59412      19.6   
1 1 1 31 2  36 o -0.5575000     1.350000      87.41064      -3.1   
1 1 1 31 2  37 o -1.732000      1.281000      68.58800      -103.5 
1 1 1 31 2  38 o 0.7106000E-01  1.300000      169.9859      -9.8   
1 1 1 31 2  39 o 0.6375000      1.283000      167.7476      65.3   
1 1 1 31 2  40 o 0.3985000      1.288000      189.1774      8.5    
1 1 1 31 2  41 o 0.4107000      1.318000      91.01879      -60.4  
1 1 1 31 2  42 o 0.7705000      1.421000      72.86124      105.9  
1 1 1 31 2  43 o 1.145000       1.402000      136.2271      70.9   
1 1 1 31 2  44 o -0.3833000     1.406000      28.28152      155.7  
1 1 1 31 2  45 o -0.8986000E-01 1.685000      ?             ?      
1 1 1 31 2  46 o -0.2746000     2.134000      ?             ?      
1 1 1 31 2  47 o -0.7104000     2.012000      ?             ?      
1 1 1 31 2  48 o -1.366000      1.526000      ?             ?      
1 1 1 31 2  49 o 1.194000       1.670000      ?             ?      
1 1 1 31 2  50 f -0.1908000     1.336000      ?             ?      
1 1 1 31 2  51 o 0.8837000      1.268000      ?             ?      
1 1 1 31 2  52 o -1.262000      1.181000      ?             ?      
1 1 1 31 2  53 o 0.2808000      1.251000      ?             ?      
1 1 1 31 2  54 o -0.9377000     1.226000      ?             ?      
1 1 1 31 2  55 o -1.412000      1.174000      ?             ?      
1 1 1 31 2  56 o -0.8770000     1.326000      ?             ?      
1 1 1 31 2  57 o 0.5863000      1.196000      ?             ?      
1 1 1 31 2  58 o 2.338000       1.210000      ?             ?      
1 1 1 31 2  59 o -1.302000      1.214000      ?             ?      
1 1 1 31 2  60 o -0.2096000     1.221000      ?             ?      
1 1 1 31 2  61 o 1.172000       1.249000      ?             ?      
1 1 1 31 2  62 o 0.7912000      1.407000      ?             ?      
1 1 1 31 2  63 o -0.6829000     1.424000      ?             ?      
1 1 1 31 2  64 o -0.2916000     1.857000      ?             ?      
1 1 1 31 3  0  o 2.105000       1.535000      102.5157      90.0   
1 1 1 31 3  1  o -1.035000      1.096000      171.6664      19.7   
1 1 1 31 3  2  o -1.156000      1.093000      47.55734      15.2   
1 1 1 31 3  3  o 0.4466000      1.087000      89.78896      20.1   
1 1 1 31 3  4  o 0.6021000      1.096000      294.6665      -21.8  
1 1 1 31 3  5  o 1.302000       1.103000      304.2033      52.7   
1 1 1 31 3  6  o -0.6775000     1.155000      129.3927      18.6   
1 1 1 31 3  7  o -0.6717000E-01 1.097000      28.98133      148.7  
1 1 1 31 3  8  o -0.2221000     1.102000      86.57169      32.1   
1 1 1 31 3  9  o -2.577000      1.130000      33.34942      -126.3 
1 1 1 31 3  10 o 0.2609000      1.128000      258.9540      -70.8  
1 1 1 31 3  11 o -1.050000      1.117000      185.3765      115.4  
1 1 1 31 3  12 o 1.388000       1.125000      209.0428      -20.4  
1 1 1 31 3  13 o 2.815000       1.121000      285.4096      -47.8  
1 1 1 31 3  14 o 1.309000       1.111000      31.11369      -4.3   
1 1 1 31 3  15 o 2.343000       1.068000      73.14882      158.8  
1 1 1 31 3  16 o -0.4062000     1.064000      230.6036      -160.2 
1 1 1 31 3  17 o 0.3864000      1.085000      85.88689      -57.7  
1 1 1 31 3  18 o 2.497000       1.160000      302.9448      -47.7  
1 1 1 31 3  19 o 1.570000       1.214000      161.9334      -119.0 
1 1 1 31 3  20 o -1.261000      1.265000      103.8507      132.2  
1 1 1 31 3  21 o 1.749000       1.605000      135.5197      -151.5 
1 1 1 31 3  22 o -3.369000      1.682000      142.0631      -68.9  
1 1 1 31 3  23 o 0.9320000      1.794000      87.12792      -23.6  
1 1 1 31 3  24 o 0.8742000      1.603000      253.5532      -43.0  
1 1 1 31 3  25 o -0.2827000     1.549000      53.28735      67.8   
1 1 1 31 3  26 o -1.557000      1.332000      72.77184      76.1   
1 1 1 31 3  27 o -0.6622000E-01 1.315000      202.9003      102.8  
1 1 1 31 3  28 o -0.8177000     1.470000      188.8585      -102.2 
1 1 1 31 3  29 o 2.506000       1.178000      221.0119      -121.5 
1 1 1 31 3  30 o -1.187000      1.316000      24.87424      -108.8 
1 1 1 31 3  31 o 1.411000       1.340000      71.93652      -8.7   
1 1 1 31 3  32 o 0.2717000      1.263000      199.9505      -155.5 
1 1 1 31 3  33 o 3.588000       1.368000      274.6044      24.7   
1 1 1 31 3  34 o -1.609000      1.260000      43.34027      160.0  
1 1 1 31 3  35 o 0.2955000      1.251000      97.03169      89.7   
1 1 1 31 3  36 o -0.4968000     1.264000      57.91779      -68.7  
1 1 1 31 3  37 o -0.2838000     1.290000      89.60282      50.5   
1 1 1 31 3  38 o 1.726000       1.308000      252.8592      -141.2 
1 1 1 31 3  39 o -0.8529000E-01 1.297000      121.6594      93.2   
1 1 1 31 3  40 o 0.4308000      1.304000      115.2203      -151.1 
1 1 1 31 3  41 o 1.501000       1.328000      101.4489      16.6   
1 1 1 31 3  42 o 1.400000       1.406000      140.5735      -155.3 
1 1 1 31 3  43 o -0.9643000     1.298000      41.03497      139.1  
1 1 1 31 3  44 o 1.546000       1.573000      142.6346      35.9   
1 1 1 31 3  45 o 0.5979000      1.614000      ?             ?      
1 1 1 31 3  46 o 0.6596000      1.490000      ?             ?      
1 1 1 31 3  47 o -0.8447000     2.056000      ?             ?      
1 1 1 31 3  48 o -0.6455000     1.745000      ?             ?      
1 1 1 31 3  49 o 0.6965000      1.425000      ?             ?      
1 1 1 31 3  50 o -1.495000      1.278000      ?             ?      
1 1 1 31 3  51 o 1.025000       1.252000      ?             ?      
1 1 1 31 3  52 o -1.345000      1.169000      ?             ?      
1 1 1 31 3  53 o -0.9263000     1.163000      ?             ?      
1 1 1 31 3  54 o -0.6501000     1.149000      ?             ?      
1 1 1 31 3  55 o 0.4101000      1.161000      ?             ?      
1 1 1 31 3  56 o 0.5334000      1.251000      ?             ?      
1 1 1 31 3  57 o -0.8650000     1.254000      ?             ?      
1 1 1 31 3  58 o 1.875000       1.343000      ?             ?      
1 1 1 31 3  59 o 0.9236000      1.223000      ?             ?      
1 1 1 31 3  60 o 0.4038000E-01  1.231000      ?             ?      
1 1 1 31 3  61 o -0.6966000     1.262000      ?             ?      
1 1 1 31 3  62 o -0.8103000     1.398000      ?             ?      
1 1 1 31 3  63 o -0.9231000E-01 1.375000      ?             ?      
1 1 1 31 3  64 o -1.326000      1.968000      ?             ?      
1 1 1 31 4  0  o 2.602000       1.540000      466.1233      -90.0  
1 1 1 31 4  1  o 0.3966000      1.085000      165.6056      25.4   
1 1 1 31 4  2  o 1.999000       1.097000      106.6870      115.5  
1 1 1 31 4  3  o 1.755000       1.079000      168.1909      160.8  
1 1 1 31 4  4  f 0.6874000      1.089000      330.6638      -159.4 
1 1 1 31 4  5  o 0.7491000      1.076000      60.74333      -166.4 
1 1 1 31 4  6  o 0.7415000      1.112000      140.6265      10.0   
1 1 1 31 4  7  o -0.7986000     1.098000      58.48318      89.2   
1 1 1 31 4  8  o 3.278000       1.129000      200.2507      -65.4  
1 1 1 31 4  9  o 1.866000       1.131000      204.6181      178.0  
1 1 1 31 4  10 o 0.5707000      1.204000      187.9882      10.4   
1 1 1 31 4  11 o -0.1385000     1.109000      80.23129      -41.0  
1 1 1 31 4  12 o 2.817000       1.135000      163.3831      71.9   
1 1 1 31 4  13 o 5.326000       1.155000      404.7042      83.4   
1 1 1 31 4  14 o 2.316000       1.110000      68.83997      143.7  
1 1 1 31 4  15 o 0.9279000      1.080000      114.3952      -174.1 
1 1 1 31 4  16 o 2.251000       1.079000      157.9460      -28.9  
1 1 1 31 4  17 o 0.6856000      1.103000      158.2740      -90.6  
1 1 1 31 4  18 o 2.199000       1.171000      173.4047      -159.4 
1 1 1 31 4  19 o -0.6448000     1.212000      151.9377      -0.7   
1 1 1 31 4  20 o 1.166000       1.457000      162.9436      -49.4  
1 1 1 31 4  21 o 2.101000       1.589000      268.1480      121.5  
1 1 1 31 4  22 o 2.427000       1.705000      39.37175      174.6  
1 1 1 31 4  23 f 2.621000       1.586000      181.6655      104.9  
1 1 1 31 4  24 o 2.555000       1.581000      128.0210      88.4   
1 1 1 31 4  25 o -0.6353000     1.309000      160.3066      139.4  
1 1 1 31 4  26 o 0.3214000      1.404000      79.84150      24.1   
1 1 1 31 4  27 o 2.022000       1.313000      149.1045      -18.5  
1 1 1 31 4  28 o 0.2066000      1.307000      49.50169      -27.6  
1 1 1 31 4  29 o -0.1406000     1.322000      77.34689      115.4  
1 1 1 31 4  30 o 4.422000       1.331000      249.9357      44.0   
1 1 1 31 4  31 o 2.598000       1.345000      306.6811      145.8  
1 1 1 31 4  32 o 1.526000       1.260000      128.7734      130.5  
1 1 1 31 4  33 o 8.133000       1.336000      411.2351      -37.2  
1 1 1 31 4  34 o -1.866000      1.258000      85.16702      87.7   
1 1 1 31 4  35 f 2.695000       1.371000      137.6469      24.6   
1 1 1 31 4  36 o -1.085000      1.273000      93.23198      -123.9 
1 1 1 31 4  37 o 0.9009000E-01  1.284000      158.8857      -39.5  
1 1 1 31 4  38 o -0.9810000E-01 1.288000      79.93063      99.9   
1 1 1 31 4  39 o 1.965000       1.407000      182.3732      -54.5  
1 1 1 31 4  40 o 0.1623000      1.412000      135.4100      75.2   
1 1 1 31 4  41 o 2.031000       1.336000      128.8959      168.1  
1 1 1 31 4  42 o -0.8934000     1.441000      97.23895      144.6  
1 1 1 31 4  43 f 0.7831000      1.307000      118.9958      -9.3   
1 1 1 31 4  44 o 3.791000       1.435000      254.8771      -35.5  
1 1 1 31 4  45 o 1.422000       1.511000      ?             ?      
1 1 1 31 4  46 o -0.4740000     1.462000      ?             ?      
1 1 1 31 4  47 o 2.795000       1.734000      ?             ?      
1 1 1 31 4  48 o -0.1771000     1.557000      ?             ?      
1 1 1 31 4  49 o -1.234000      1.296000      ?             ?      
1 1 1 31 4  50 o 1.897000       1.339000      ?             ?      
1 1 1 31 4  51 o -1.116000      1.323000      ?             ?      
1 1 1 31 4  52 o 1.069000       1.245000      ?             ?      
1 1 1 31 4  53 o 0.5624000      1.164000      ?             ?      
1 1 1 31 4  54 o -0.8642000     1.149000      ?             ?      
1 1 1 31 4  55 o -0.8811000E-01 1.161000      ?             ?      
1 1 1 31 4  56 o -0.8244000     1.182000      ?             ?      
1 1 1 31 4  57 o 1.070000       1.184000      ?             ?      
1 1 1 31 4  58 o -1.755000      1.264000      ?             ?      
1 1 1 31 4  59 o -0.4862000E-01 1.281000      ?             ?      
1 1 1 31 4  60 o 0.1839000      1.363000      ?             ?      
1 1 1 31 4  61 o -0.4947000     1.391000      ?             ?      
1 1 1 31 4  62 o -1.413000      1.404000      ?             ?      
1 1 1 31 4  63 o -1.372000      1.458000      ?             ?      
1 1 1 31 4  64 o -1.689000      2.130000      ?             ?      
1 1 1 31 5  0  o 4.962000       1.531000      435.7543      90.0   
1 1 1 31 5  1  o 4.611000       1.095000      308.2549      9.6    
1 1 1 31 5  2  o 2.049000       1.090000      180.1466      -163.0 
1 1 1 31 5  3  o -1.594000      1.077000      167.0125      160.4  
1 1 1 31 5  4  o 0.3312000      1.070000      106.9223      51.2   
1 1 1 31 5  5  o 5.147000       1.117000      398.2722      21.5   
1 1 1 31 5  6  o 1.882000       1.116000      224.7911      129.7  
1 1 1 31 5  7  o 4.125000       1.113000      157.7342      -177.6 
1 1 1 31 5  8  o 2.333000       1.135000      129.4130      -127.0 
1 1 1 31 5  9  o 3.677000       1.153000      348.7147      -28.1  
1 1 1 31 5  10 o 4.867000       1.175000      287.3128      -81.0  
1 1 1 31 5  11 o 1.731000       1.130000      199.4714      129.4  
1 1 1 31 5  12 o 14.31000       1.219000      557.8274      -86.6  
1 1 1 31 5  13 o 2.464000       1.140000      254.8866      -59.6  
1 1 1 31 5  14 o 3.353000       1.121000      118.5784      155.4  
1 1 1 31 5  15 o 1.758000       1.103000      256.9939      107.2  
1 1 1 31 5  16 o 2.586000       1.094000      305.4838      -121.2 
1 1 1 31 5  17 o 4.028000       1.124000      311.6512      -28.6  
1 1 1 31 5  18 o 11.00000       1.312000      518.0053      -66.1  
1 1 1 31 5  19 o 3.885000       1.264000      285.7711      143.5  
1 1 1 31 5  20 o 0.6154000      1.669000      82.99967      -35.8  
1 1 1 31 5  21 o -0.9061000E-01 1.627000      142.7773      -132.3 
1 1 1 31 5  22 o 11.43000       1.538000      265.6253      -119.0 
1 1 1 31 5  23 o 3.932000       1.415000      320.0465      -119.4 
1 1 1 31 5  24 o -0.2301000     1.312000      184.0480      144.9  
1 1 1 31 5  25 o 3.395000       1.435000      213.6314      100.6  
1 1 1 31 5  26 o -0.5350000     1.391000      148.4406      -57.1  
1 1 1 31 5  27 o 1.385000       1.381000      112.9864      34.9   
1 1 1 31 5  28 o 6.582000       1.403000      308.4353      -178.3 
1 1 1 31 5  29 o 4.519000       1.334000      239.5603      177.8  
1 1 1 31 5  30 o 4.694000       1.220000      393.4595      -86.5  
1 1 1 31 5  31 o 1.302000       1.194000      352.3412      66.0   
1 1 1 31 5  32 o -1.055000      1.240000      66.25008      -176.7 
1 1 1 31 5  33 o 2.218000       1.276000      204.3404      19.4   
1 1 1 31 5  34 o 7.128000       1.293000      319.4918      -8.2   
1 1 1 31 5  35 o 0.7826000      1.257000      123.0590      -152.7 
1 1 1 31 5  36 o 0.9986000      1.275000      187.4739      -40.2  
1 1 1 31 5  37 o -0.5722000E-02 1.359000      91.58785      -86.3  
1 1 1 31 5  38 o 2.818000       1.281000      231.7672      95.8   
1 1 1 31 5  39 o 0.4337000      1.433000      143.9693      -41.4  
1 1 1 31 5  40 o 7.609000       1.502000      357.5032      -56.5  
1 1 1 31 5  41 o -0.3401000     1.310000      131.0656      102.6  
1 1 1 31 5  42 o 0.9233000      1.277000      79.43674      -145.0 
1 1 1 31 5  43 o 3.453000       1.317000      240.6474      73.0   
1 1 1 31 5  44 o 1.858000       1.426000      142.2737      -34.1  
1 1 1 31 5  45 o -0.7129000     1.598000      ?             ?      
1 1 1 31 5  46 o 2.897000       1.521000      ?             ?      
1 1 1 31 5  47 o 1.721000       1.481000      ?             ?      
1 1 1 31 5  48 o -0.7159000E-01 1.369000      ?             ?      
1 1 1 31 5  49 o 2.653000       1.418000      ?             ?      
1 1 1 31 5  50 o 0.6784000      1.640000      ?             ?      
1 1 1 31 5  51 o -0.2682000     1.255000      ?             ?      
1 1 1 31 5  52 o -0.8450000     1.351000      ?             ?      
1 1 1 31 5  53 o -0.2135000     1.171000      ?             ?      
1 1 1 31 5  54 o 1.118000       1.165000      ?             ?      
1 1 1 31 5  55 o -0.2230000     1.164000      ?             ?      
1 1 1 31 5  56 o -0.4046000     1.173000      ?             ?      
1 1 1 31 5  57 o 0.2471000E-01  1.205000      ?             ?      
1 1 1 31 5  58 o 1.504000       1.208000      ?             ?      
1 1 1 31 5  59 o -0.6601000     1.206000      ?             ?      
1 1 1 31 5  60 o 1.398000       1.299000      ?             ?      
1 1 1 31 5  61 o 0.4108000      1.432000      ?             ?      
1 1 1 31 5  62 o -2.264000      1.434000      ?             ?      
1 1 1 31 5  63 o 1.429000       1.570000      ?             ?      
1 1 1 31 5  64 o 0.8268000      1.818000      ?             ?      
1 1 1 31 6  0  o 0.6083000      1.504000      49.44770      90.0   
1 1 1 31 6  1  o 1.474000       1.078000      126.8759      107.8  
1 1 1 31 6  2  o 2.140000       1.072000      88.38322      -39.5  
1 1 1 31 6  3  o 10.32000       1.134000      428.1180      -105.6 
1 1 1 31 6  4  o 0.9076000      1.078000      125.9249      112.1  
1 1 1 31 6  5  o 15.70000       1.228000      655.4115      159.4  
1 1 1 31 6  6  o 0.5757000      1.117000      148.7122      30.4   
1 1 1 31 6  7  o 3.991000       1.126000      359.1977      -128.4 
1 1 1 31 6  8  o 9.494000       1.176000      289.1256      21.8   
1 1 1 31 6  9  o 7.550000       1.180000      368.9254      -119.8 
1 1 1 31 6  10 o 0.6528000      1.132000      260.3716      30.4   
1 1 1 31 6  11 o 14.70000       1.284000      603.8318      9.5    
1 1 1 31 6  12 o 8.543000       1.161000      519.6501      87.9   
1 1 1 31 6  13 o -2.057000      1.098000      74.19542      -67.5  
1 1 1 31 6  14 o 5.130000       1.129000      314.2540      -167.9 
1 1 1 31 6  15 o 0.9830000      1.085000      285.1035      -17.9  
1 1 1 31 6  16 o 5.304000       1.100000      241.6864      72.1   
1 1 1 31 6  17 o 2.368000       1.141000      274.6226      -56.4  
1 1 1 31 6  18 o 1.800000       1.233000      138.3791      139.6  
1 1 1 31 6  19 o 6.967000       1.334000      373.2419      44.9   
1 1 1 31 6  20 o 9.374000       1.697000      544.1644      -168.8 
1 1 1 31 6  21 o 5.812000       1.469000      234.2027      -25.5  
1 1 1 31 6  22 o -0.7462000     2.039000      244.3765      -25.9  
1 1 1 31 6  23 o 0.2585000      1.545000      100.4089      -98.5  
1 1 1 31 6  24 o -1.998000      1.301000      24.99702      -54.9  
1 1 1 31 6  25 o 18.37000       1.662000      514.9828      15.9   
1 1 1 31 6  26 o -0.1708000     1.300000      306.0838      43.2   
1 1 1 31 6  27 o 5.860000       1.329000      321.6428      -99.0  
1 1 1 31 6  28 o 1.683000       1.307000      125.9067      72.6   
1 1 1 31 6  29 o 0.3667000      1.295000      51.91455      -6.9   
1 1 1 31 6  30 o 6.206000       1.329000      419.1089      141.9  
1 1 1 31 6  31 o -1.515000      1.185000      83.74879      -125.3 
1 1 1 31 6  32 o 1.929000       1.233000      264.4164      119.5  
1 1 1 31 6  33 o 9.704000       1.301000      354.7557      19.4   
1 1 1 31 6  34 o 1.020000       1.356000      138.9387      163.4  
1 1 1 31 6  35 o 4.401000       1.363000      268.8578      45.2   
1 1 1 31 6  36 o 1.553000       1.393000      255.4673      -71.3  
1 1 1 31 6  37 o 3.318000       1.405000      94.98081      91.6   
1 1 1 31 6  38 o -0.9166000     1.254000      125.5468      114.5  
1 1 1 31 6  39 o 0.4025000      1.274000      142.6216      2.8    
1 1 1 31 6  40 o 2.503000       1.297000      250.9263      114.5  
1 1 1 31 6  41 o 1.736000       1.287000      185.8556      -174.5 
1 1 1 31 6  42 o 2.247000       1.270000      127.1927      172.6  
1 1 1 31 6  43 o 3.118000       1.398000      243.8049      -6.7   
1 1 1 31 6  44 o 3.481000       1.429000      226.6214      -80.2  
1 1 1 31 6  45 o 4.703000       1.477000      ?             ?      
1 1 1 31 6  46 o 2.111000       1.417000      ?             ?      
1 1 1 31 6  47 o 2.962000       1.328000      ?             ?      
1 1 1 31 6  48 o 0.4116000E-01  1.361000      ?             ?      
1 1 1 31 6  49 o 1.545000       1.411000      ?             ?      
1 1 1 31 6  50 o -0.2706000E-02 1.258000      ?             ?      
1 1 1 31 6  51 o -0.8915000     1.249000      ?             ?      
1 1 1 31 6  52 o 4.057000       1.460000      ?             ?      
1 1 1 31 6  53 o 0.6555000      1.228000      ?             ?      
1 1 1 31 6  54 o 2.265000       1.235000      ?             ?      
1 1 1 31 6  55 o -0.2371000     1.221000      ?             ?      
1 1 1 31 6  56 o -2.151000      1.169000      ?             ?      
1 1 1 31 6  57 o -1.009000      1.194000      ?             ?      
1 1 1 31 6  58 o 1.131000       1.208000      ?             ?      
1 1 1 31 6  59 f 1.595000       1.210000      ?             ?      
1 1 1 31 6  60 o -1.600000      1.216000      ?             ?      
1 1 1 31 6  61 o 0.7649000      1.343000      ?             ?      
1 1 1 31 6  62 o -1.400000      1.403000      ?             ?      
1 1 1 31 6  63 o 1.949000       2.110000      ?             ?      
1 1 1 31 7  0  o 3.027000       1.503000      292.0698      90.0   
1 1 1 31 7  1  o 1.606000       1.059000      204.4278      -93.3  
1 1 1 31 7  2  o 4.506000       1.080000      292.3550      -177.1 
1 1 1 31 7  3  o 0.8223000      1.070000      114.7126      110.7  
1 1 1 31 7  4  o 1.078000       1.094000      200.9975      -178.3 
1 1 1 31 7  5  o 2.903000       1.136000      140.0754      -162.7 
1 1 1 31 7  6  o 8.646000       1.257000      380.9569      -120.1 
1 1 1 31 7  7  o 0.8236000      1.143000      228.2385      -31.8  
1 1 1 31 7  8  o 14.39000       1.239000      346.4953      -24.6  
1 1 1 31 7  9  o 3.569000       1.185000      36.42833      119.5  
1 1 1 31 7  10 o 2.587000       1.135000      281.0247      154.2  
1 1 1 31 7  11 o 6.884000       1.149000      460.6301      -173.0 
1 1 1 31 7  12 o 7.929000       1.152000      419.9084      -108.5 
1 1 1 31 7  13 o 3.829000       1.118000      326.1378      -7.4   
1 1 1 31 7  14 o 5.042000       1.135000      477.9986      130.2  
1 1 1 31 7  15 o 1.458000       1.093000      103.4582      -132.8 
1 1 1 31 7  16 o 3.495000       1.098000      111.3977      152.8  
1 1 1 31 7  17 o 5.424000       1.234000      361.5272      -122.2 
1 1 1 31 7  18 o 2.414000       1.230000      363.4138      -75.9  
1 1 1 31 7  19 o -1.622000      1.510000      174.2435      -55.8  
1 1 1 31 7  20 o 1.033000       2.501000      83.97533      -136.8 
1 1 1 31 7  21 o 0.5042000      2.046000      82.09846      124.6  
1 1 1 31 7  22 o -0.7295000     1.393000      84.56407      -2.7   
1 1 1 31 7  23 o 13.14000       1.375000      645.0944      152.7  
1 1 1 31 7  24 o 13.42000       1.424000      390.3527      126.1  
1 1 1 31 7  25 o 2.643000       1.228000      142.1820      159.9  
1 1 1 31 7  26 o 4.366000       1.295000      266.5028      -40.1  
1 1 1 31 7  27 o 0.7749000      1.218000      119.6441      -178.9 
1 1 1 31 7  28 o 3.383000       1.389000      345.8458      128.8  
1 1 1 31 7  29 o 12.18000       1.389000      362.2675      -127.0 
1 1 1 31 7  30 o 2.722000       1.628000      407.1270      -82.2  
1 1 1 31 7  31 o 14.63000       1.319000      504.3051      169.3  
1 1 1 31 7  32 o 1.918000       1.267000      214.7428      91.2   
1 1 1 31 7  33 f 0.2879000      1.251000      328.4556      -19.7  
1 1 1 31 7  34 o 5.929000       1.404000      239.2749      76.6   
1 1 1 31 7  35 o 2.747000       1.402000      181.2523      -85.6  
1 1 1 31 7  36 o 5.168000       1.293000      258.6275      -103.8 
1 1 1 31 7  37 o 1.994000       1.260000      181.1123      47.7   
1 1 1 31 7  38 o 1.041000       1.246000      165.3457      62.3   
1 1 1 31 7  39 o 5.272000       1.296000      426.9160      -110.9 
1 1 1 31 7  40 o 1.899000       1.287000      146.6706      -100.7 
1 1 1 31 7  41 o 4.995000       1.284000      242.2937      145.3  
1 1 1 31 7  42 o -0.2700000     1.250000      38.48050      -31.3  
1 1 1 31 7  43 o 1.813000       1.364000      183.0001      89.4   
1 1 1 31 7  44 o 4.239000       1.547000      335.8906      -18.4  
1 1 1 31 7  45 o 0.9553000      1.491000      ?             ?      
1 1 1 31 7  46 o 1.822000       1.318000      ?             ?      
1 1 1 31 7  47 o 2.591000       1.229000      ?             ?      
1 1 1 31 7  48 o -1.155000      1.348000      ?             ?      
1 1 1 31 7  49 o -0.2079000     1.421000      ?             ?      
1 1 1 31 7  50 o -1.143000      1.264000      ?             ?      
1 1 1 31 7  51 o 1.569000       1.271000      ?             ?      
1 1 1 31 7  52 o 0.1526000      1.238000      ?             ?      
1 1 1 31 7  53 o 1.387000       1.222000      ?             ?      
1 1 1 31 7  54 o 1.101000       1.243000      ?             ?      
1 1 1 31 7  55 o -0.9379000     1.252000      ?             ?      
1 1 1 31 7  56 o -1.064000      1.173000      ?             ?      
1 1 1 31 7  57 o -1.789000      1.256000      ?             ?      
1 1 1 31 7  58 o 3.631000       1.237000      ?             ?      
1 1 1 31 7  59 o 0.5696000      1.217000      ?             ?      
1 1 1 31 7  60 o 0.4569000E-01  1.337000      ?             ?      
1 1 1 31 7  61 o 2.629000       1.375000      ?             ?      
1 1 1 31 7  62 o 1.325000       1.417000      ?             ?      
1 1 1 31 7  63 o -1.062000      1.364000      ?             ?      
1 1 1 31 8  0  o 3.165000       1.510000      491.8615      90.0   
1 1 1 31 8  1  o 3.544000       1.068000      151.7094      159.7  
1 1 1 31 8  2  o 4.660000       1.081000      412.0468      -125.7 
1 1 1 31 8  3  o 9.822000       1.115000      507.1143      -57.4  
1 1 1 31 8  4  o 3.359000       1.159000      355.2666      118.3  
1 1 1 31 8  5  o 38.74000       1.628000      977.2096      -163.4 
1 1 1 31 8  6  o 1.863000       1.181000      185.9955      41.1   
1 1 1 31 8  7  o 3.663000       1.156000      228.2162      -29.5  
1 1 1 31 8  8  o 11.56000       1.215000      480.2614      -61.9  
1 1 1 31 8  9  o 19.65000       1.267000      523.9468      -126.1 
1 1 1 31 8  10 o 16.70000       1.235000      507.6141      64.2   
1 1 1 31 8  11 f 6.542000       1.148000      211.9599      11.0   
1 1 1 31 8  12 o 2.645000       1.161000      126.0821      -156.5 
1 1 1 31 8  13 o 5.525000       1.111000      423.2618      -114.9 
1 1 1 31 8  14 o 23.57000       1.338000      582.9901      60.5   
1 1 1 31 8  15 o 0.4846000      1.107000      102.1365      -66.1  
1 1 1 31 8  16 o 8.232000       1.222000      255.5273      55.5   
1 1 1 31 8  17 o 7.957000       1.461000      295.2335      -85.8  
1 1 1 31 8  18 o 2.998000       1.592000      34.48303      160.1  
1 1 1 31 8  19 o 11.29000       2.282000      488.6566      20.5   
1 1 1 31 8  20 o 7.865000       1.604000      361.5247      173.7  
1 1 1 31 8  21 o -1.102000      1.460000      94.37884      40.4   
1 1 1 31 8  22 o 0.4386000      1.164000      155.8354      -164.8 
1 1 1 31 8  23 o 5.206000       1.178000      311.5601      -65.4  
1 1 1 31 8  24 o 0.6450000      1.277000      83.23962      -7.7   
1 1 1 31 8  25 o 23.34000       1.496000      723.2859      12.0   
1 1 1 31 8  26 o 9.312000       1.354000      296.4370      -123.6 
1 1 1 31 8  27 o 16.76000       1.350000      564.6784      -78.6  
1 1 1 31 8  28 o 6.348000       1.333000      242.2334      38.5   
1 1 1 31 8  29 o 1.563000       1.590000      186.2029      -72.8  
1 1 1 31 8  30 o 19.64000       1.602000      562.1137      -76.5  
1 1 1 31 8  31 o 1.557000       1.324000      154.3857      -142.4 
1 1 1 31 8  32 o 6.701000       1.378000      328.8210      76.8   
1 1 1 31 8  33 o 4.701000       1.216000      320.6104      107.5  
1 1 1 31 8  34 o -0.4686000     1.256000      93.88712      90.2   
1 1 1 31 8  35 o 5.238000       1.300000      326.0152      3.7    
1 1 1 31 8  36 o 4.659000       1.305000      348.3485      -23.2  
1 1 1 31 8  37 o 0.6422000      1.237000      205.4949      137.2  
1 1 1 31 8  38 o 2.771000       1.251000      245.2647      66.5   
1 1 1 31 8  39 o 1.421000       1.256000      35.60929      68.6   
1 1 1 31 8  40 o 3.639000       1.268000      145.4344      -68.2  
1 1 1 31 8  41 o 4.059000       1.276000      280.8619      2.4    
1 1 1 31 8  42 o 4.204000       1.278000      139.2628      166.4  
1 1 1 31 8  43 o 3.821000       1.390000      264.6678      5.7    
1 1 1 31 8  44 o -0.9026000     1.435000      ?             ?      
1 1 1 31 8  45 o 6.249000       1.408000      ?             ?      
1 1 1 31 8  46 o 0.5426000      1.294000      ?             ?      
1 1 1 31 8  47 o 1.772000       1.188000      ?             ?      
1 1 1 31 8  48 o 0.9630000      1.355000      ?             ?      
1 1 1 31 8  49 o -1.527000      1.358000      ?             ?      
1 1 1 31 8  50 o 3.222000       1.295000      ?             ?      
1 1 1 31 8  51 o 3.081000       1.270000      ?             ?      
1 1 1 31 8  52 o 1.733000       1.233000      ?             ?      
1 1 1 31 8  53 o 1.006000       1.219000      ?             ?      
1 1 1 31 8  54 o -2.065000      1.226000      ?             ?      
1 1 1 31 8  55 o -0.8440000     1.169000      ?             ?      
1 1 1 31 8  56 o 1.715000       1.271000      ?             ?      
1 1 1 31 8  57 o 2.770000       1.300000      ?             ?      
1 1 1 31 8  58 o -0.9433000     1.192000      ?             ?      
1 1 1 31 8  59 o -0.2471000     1.253000      ?             ?      
1 1 1 31 8  60 o -1.339000      1.343000      ?             ?      
1 1 1 31 8  61 o -2.017000      1.498000      ?             ?      
1 1 1 31 8  62 o 0.4544000      1.508000      ?             ?      
1 1 1 31 8  63 o -1.106000      1.365000      ?             ?      
1 1 1 31 9  0  o 22.49000       1.715000      755.9572      -90.0  
1 1 1 31 9  1  o 2.881000       1.044000      196.8626      -126.1 
1 1 1 31 9  2  o 5.811000       1.074000      400.2014      56.8   
1 1 1 31 9  3  o 21.58000       1.346000      654.8298      -19.4  
1 1 1 31 9  4  f 4.228000       1.140000      183.2200      -33.4  
1 1 1 31 9  5  o 25.21000       1.402000      660.3599      -117.8 
1 1 1 31 9  6  o 27.19000       1.479000      746.9296      -25.4  
1 1 1 31 9  7  o 2.461000       1.160000      119.5178      -31.6  
1 1 1 31 9  8  o 0.1957000      1.139000      278.0765      126.6  
1 1 1 31 9  9  o 5.391000       1.135000      329.5720      82.2   
1 1 1 31 9  10 o 9.922000       1.178000      361.7785      -99.4  
1 1 1 31 9  11 o 6.722000       1.145000      415.7573      -139.3 
1 1 1 31 9  12 o 0.8681000      1.157000      28.80208      -137.3 
1 1 1 31 9  13 o 2.471000       1.210000      226.4468      50.3   
1 1 1 31 9  14 o 3.252000       1.135000      208.8850      104.0  
1 1 1 31 9  15 o 12.39000       1.484000      348.8871      52.0   
1 1 1 31 9  16 o 2.516000       1.434000      132.6208      -159.2 
1 1 1 31 9  17 o 1.951000       1.453000      320.5891      -73.1  
1 1 1 31 9  18 o 5.907000       1.666000      291.0279      -10.5  
1 1 1 31 9  19 o 4.089000       1.420000      306.2379      -75.5  
1 1 1 31 9  20 o 5.908000       1.316000      450.1740      171.2  
1 1 1 31 9  21 o 3.853000       1.342000      178.7924      -148.4 
1 1 1 31 9  22 o 6.996000       1.195000      288.1154      -15.0  
1 1 1 31 9  23 o 25.04000       1.432000      576.2903      166.0  
1 1 1 31 9  24 o -0.7535000     1.228000      65.83173      105.0  
1 1 1 31 9  25 o 6.740000       1.298000      382.9605      19.8   
1 1 1 31 9  26 o 10.80000       1.271000      417.3846      48.6   
1 1 1 31 9  27 o 3.279000       1.323000      179.0074      167.1  
1 1 1 31 9  28 o 6.799000       1.256000      399.6082      73.1   
1 1 1 31 9  29 o 5.664000       1.706000      312.3635      70.0   
1 1 1 31 9  30 o 3.949000       1.593000      226.8680      101.7  
1 1 1 31 9  31 o 6.186000       1.353000      323.2083      171.2  
1 1 1 31 9  32 o 4.303000       1.228000      209.9566      -31.9  
1 1 1 31 9  33 o 4.374000       1.222000      302.2571      5.4    
1 1 1 31 9  34 o 2.850000       1.225000      67.36628      95.6   
1 1 1 31 9  35 o 3.920000       1.305000      231.1514      -51.0  
1 1 1 31 9  36 o -3.108000      1.256000      64.07027      23.4   
1 1 1 31 9  37 o 3.809000       1.263000      250.4509      63.0   
1 1 1 31 9  38 o 4.306000       1.271000      336.5345      -126.6 
1 1 1 31 9  39 o 8.358000       1.312000      397.8717      138.3  
1 1 1 31 9  40 o 4.135000       1.276000      218.0250      152.5  
1 1 1 31 9  41 o 1.733000       1.255000      269.1830      27.3   
1 1 1 31 9  42 o -0.3369000     1.353000      120.0168      16.9   
1 1 1 31 9  43 o 0.2884000      1.424000      79.27567      25.6   
1 1 1 31 9  44 o 1.282000       1.477000      ?             ?      
1 1 1 31 9  45 o 3.963000       1.333000      ?             ?      
1 1 1 31 9  46 o 0.6842000      1.200000      ?             ?      
1 1 1 31 9  47 o 1.173000       1.182000      ?             ?      
1 1 1 31 9  48 o 3.859000       1.183000      ?             ?      
1 1 1 31 9  49 o 3.468000       1.374000      ?             ?      
1 1 1 31 9  50 o 9.159000       1.496000      ?             ?      
1 1 1 31 9  51 o 4.999000       1.285000      ?             ?      
1 1 1 31 9  52 o 0.1135000      1.220000      ?             ?      
1 1 1 31 9  53 o -0.2231000     1.239000      ?             ?      
1 1 1 31 9  54 o 6.090000       1.276000      ?             ?      
1 1 1 31 9  55 o 1.535000       1.175000      ?             ?      
1 1 1 31 9  56 o 2.544000       1.181000      ?             ?      
1 1 1 31 9  57 o 1.658000       1.191000      ?             ?      
1 1 1 31 9  58 o 1.579000       1.220000      ?             ?      
1 1 1 31 9  59 o -0.3508000     1.385000      ?             ?      
1 1 1 31 9  60 o 0.4224000      1.356000      ?             ?      
1 1 1 31 9  61 o 0.9220000      1.423000      ?             ?      
1 1 1 31 9  62 o -0.5314000     1.504000      ?             ?      
1 1 1 31 9  63 o 2.844000       1.292000      ?             ?      
1 1 1 31 10 0  o 1.094000       1.464000      9.726592      -90.0  
1 1 1 31 10 1  o 0.6808000E-01  1.033000      29.96189      72.7   
1 1 1 31 10 2  o 5.342000       1.058000      242.4675      103.5  
1 1 1 31 10 3  o 20.40000       1.498000      515.8004      68.0   
1 1 1 31 10 4  o 10.91000       1.339000      411.8145      -152.9 
1 1 1 31 10 5  o 2.453000       1.203000      267.7885      -42.4  
1 1 1 31 10 6  o 4.168000       1.185000      187.8071      -101.6 
1 1 1 31 10 7  o 2.110000       1.165000      124.0981      -76.7  
1 1 1 31 10 8  o 1.990000       1.132000      151.8350      -95.0  
1 1 1 31 10 9  o 4.859000       1.145000      377.8062      78.9   
1 1 1 31 10 10 o 2.269000       1.166000      62.19996      115.6  
1 1 1 31 10 11 o 4.393000       1.176000      210.3271      -67.5  
1 1 1 31 10 12 o 6.170000       1.165000      327.5412      85.8   
1 1 1 31 10 13 o 36.05000       1.693000      724.5541      113.9  
1 1 1 31 10 14 o 31.58000       1.709000      672.6321      113.3  
1 1 1 31 10 15 o 7.314000       1.373000      333.5015      -38.6  
1 1 1 31 10 16 o 0.4051000      1.387000      145.4866      -21.7  
1 1 1 31 10 17 o 1.412000       1.294000      185.0083      -1.6   
1 1 1 31 10 18 o 11.49000       1.603000      564.6974      32.6   
1 1 1 31 10 19 o 2.005000       1.344000      227.8428      -57.9  
1 1 1 31 10 20 o -0.9156000     1.197000      359.4787      65.1   
1 1 1 31 10 21 o 1.086000       1.167000      269.1548      -144.8 
1 1 1 31 10 22 o 17.03000       1.271000      502.1062      -110.1 
1 1 1 31 10 23 o 1.403000       1.216000      149.2209      17.4   
1 1 1 31 10 24 o 3.263000       1.236000      105.3048      143.4  
1 1 1 31 10 25 o 0.2730000      1.157000      186.3139      -37.2  
1 1 1 31 10 26 o 13.68000       1.300000      405.9332      -115.5 
1 1 1 31 10 27 o 21.36000       1.639000      632.1628      -178.0 
1 1 1 31 10 28 o 4.643000       1.213000      267.8587      163.6  
1 1 1 31 10 29 o 18.49000       1.477000      588.1135      -123.9 
1 1 1 31 10 30 o 3.527000       1.366000      192.5212      -137.1 
1 1 1 31 10 31 o 4.109000       1.306000      212.7070      93.3   
1 1 1 31 10 32 o 16.37000       1.468000      621.4368      47.7   
1 1 1 31 10 33 o 4.658000       1.257000      184.6838      34.4   
1 1 1 31 10 34 o 7.680000       1.274000      438.9267      99.9   
1 1 1 31 10 35 o 1.052000       1.298000      25.78176      2.1    
1 1 1 31 10 36 o 1.848000       1.262000      155.3434      44.7   
1 1 1 31 10 37 o 1.765000       1.246000      121.7208      29.0   
1 1 1 31 10 38 o 0.8776000      1.243000      64.92554      158.6  
1 1 1 31 10 39 o -0.7005000     1.264000      68.85851      -60.7  
1 1 1 31 10 40 o 1.690000       1.375000      123.3171      112.9  
1 1 1 31 10 41 o 5.288000       1.282000      361.9744      0.1    
1 1 1 31 10 42 o 4.224000       1.420000      206.1153      151.4  
1 1 1 31 10 43 o 2.606000       1.537000      223.7638      -23.4  
1 1 1 31 10 44 o 3.727000       1.408000      ?             ?      
1 1 1 31 10 45 o 1.351000       1.282000      ?             ?      
1 1 1 31 10 46 o 1.315000       1.188000      ?             ?      
1 1 1 31 10 47 o 1.019000       1.182000      ?             ?      
1 1 1 31 10 48 o 2.010000       1.182000      ?             ?      
1 1 1 31 10 49 o 5.135000       1.393000      ?             ?      
1 1 1 31 10 50 o 2.293000       1.377000      ?             ?      
1 1 1 31 10 51 o 0.5874000      1.221000      ?             ?      
1 1 1 31 10 52 o 0.6825000E-02  1.248000      ?             ?      
1 1 1 31 10 53 o 0.9160000      1.248000      ?             ?      
1 1 1 31 10 54 o -1.542000      1.237000      ?             ?      
1 1 1 31 10 55 o 1.614000       1.240000      ?             ?      
1 1 1 31 10 56 o 3.533000       1.183000      ?             ?      
1 1 1 31 10 57 o -0.5558000E-01 1.182000      ?             ?      
1 1 1 31 10 58 o -0.5599000     1.178000      ?             ?      
1 1 1 31 10 59 o -0.3042000     1.331000      ?             ?      
1 1 1 31 10 60 o -0.7694000     1.412000      ?             ?      
1 1 1 31 10 61 o -1.080000      1.484000      ?             ?      
1 1 1 31 10 62 o 0.2037000      1.357000      ?             ?      
1 1 1 31 10 63 o 1.160000       1.345000      ?             ?      
1 1 1 31 11 0  o 1.406000       1.434000      89.11818      -90.0  
1 1 1 31 11 1  o 2.786000       1.020000      154.7396      55.6   
1 1 1 31 11 2  o 4.690000       1.056000      235.5148      -166.8 
1 1 1 31 11 3  o 42.71000       1.575000      848.2659      -59.6  
1 1 1 31 11 4  o 15.15000       1.236000      385.7224      114.3  
1 1 1 31 11 5  o 42.05000       1.528000      826.5262      -63.8  
1 1 1 31 11 6  o 14.94000       1.243000      513.5617      32.0   
1 1 1 31 11 7  o 17.37000       1.264000      416.9054      -147.5 
1 1 1 31 11 8  o 35.42000       1.553000      922.9559      101.7  
1 1 1 31 11 9  o 13.49000       1.247000      458.0627      -61.9  
1 1 1 31 11 10 o 6.910000       1.160000      386.0657      -144.5 
1 1 1 31 11 11 o 14.75000       1.232000      581.3547      152.8  
1 1 1 31 11 12 o 36.79000       1.543000      738.1928      -145.5 
1 1 1 31 11 13 o 2.490000       1.265000      222.9339      -61.4  
1 1 1 31 11 14 o 5.326000       1.337000      406.1917      84.2   
1 1 1 31 11 15 o 1.404000       1.193000      196.3851      9.9    
1 1 1 31 11 16 o 4.064000       1.272000      287.8053      126.8  
1 1 1 31 11 17 o 8.426000       1.424000      265.8202      -20.5  
1 1 1 31 11 18 o 0.4356000      1.335000      113.7487      -28.5  
1 1 1 31 11 19 o 1.505000       1.225000      140.7488      4.6    
1 1 1 31 11 20 o 20.66000       1.309000      636.3267      -93.0  
1 1 1 31 11 21 o 2.547000       1.069000      29.91216      165.8  
1 1 1 31 11 22 o 5.625000       1.219000      418.0122      1.6    
1 1 1 31 11 23 o 1.280000       1.212000      167.0417      -113.7 
1 1 1 31 11 24 o 12.47000       1.299000      311.8065      -7.1   
1 1 1 31 11 25 o 9.200000       1.401000      462.5658      17.6   
1 1 1 31 11 26 o 6.948000       1.198000      292.5101      -135.3 
1 1 1 31 11 27 o 4.409000       1.185000      109.8717      -23.5  
1 1 1 31 11 28 o 4.647000       1.220000      193.9472      -58.9  
1 1 1 31 11 29 o 6.863000       1.249000      343.7639      96.3   
1 1 1 31 11 30 o 0.5264000      1.341000      140.3730      69.5   
1 1 1 31 11 31 o 13.34000       1.387000      401.3104      160.5  
1 1 1 31 11 32 o 3.959000       1.342000      387.3028      -18.1  
1 1 1 31 11 33 o 12.17000       1.325000      448.3124      173.8  
1 1 1 31 11 34 o 8.962000       1.302000      396.5697      -41.5  
1 1 1 31 11 35 o 13.30000       1.320000      392.4439      -130.3 
1 1 1 31 11 36 o 3.737000       1.266000      214.3976      96.5   
1 1 1 31 11 37 o 2.458000       1.225000      111.7953      -9.5   
1 1 1 31 11 38 o 2.538000       1.230000      153.4150      -151.8 
1 1 1 31 11 39 o 6.541000       1.288000      415.9490      128.4  
1 1 1 31 11 40 o -0.5977000     1.244000      156.5727      154.6  
1 1 1 31 11 41 o 7.442000       1.395000      335.4599      -11.8  
1 1 1 31 11 42 o -0.4871000     1.399000      69.97884      3.3    
1 1 1 31 11 43 o 3.116000       1.456000      193.5828      168.3  
1 1 1 31 11 44 o 5.836000       1.385000      ?             ?      
1 1 1 31 11 45 o 3.034000       1.201000      ?             ?      
1 1 1 31 11 46 o 0.5898000      1.173000      ?             ?      
1 1 1 31 11 47 o 5.625000       1.214000      ?             ?      
1 1 1 31 11 48 o 4.097000       1.193000      ?             ?      
1 1 1 31 11 49 o -1.482000      1.317000      ?             ?      
1 1 1 31 11 50 o -1.096000      1.317000      ?             ?      
1 1 1 31 11 51 o 0.7961000      1.228000      ?             ?      
1 1 1 31 11 52 o 0.3982000      1.240000      ?             ?      
1 1 1 31 11 53 o 1.414000       1.253000      ?             ?      
1 1 1 31 11 54 o 1.194000       1.261000      ?             ?      
1 1 1 31 11 55 o 0.8578000      1.227000      ?             ?      
1 1 1 31 11 56 o 0.8267000      1.173000      ?             ?      
1 1 1 31 11 57 o 2.798000       1.200000      ?             ?      
1 1 1 31 11 58 o 0.6042000      1.214000      ?             ?      
1 1 1 31 11 59 o 0.1232000      1.329000      ?             ?      
1 1 1 31 11 60 o 0.2722000      1.383000      ?             ?      
1 1 1 31 11 61 f 0.5580000      1.392000      ?             ?      
1 1 1 31 11 62 o 0.9428000      1.277000      ?             ?      
1 1 1 31 11 63 o -0.6632000     2.027000      ?             ?      
1 1 1 31 12 0  o 0.5665000      1.446000      104.4095      90.0   
1 1 1 31 12 1  o 4.639000       1.038000      287.5242      -38.1  
1 1 1 31 12 2  o 1.543000       1.046000      149.8927      51.3   
1 1 1 31 12 3  o 14.44000       1.182000      448.8506      126.3  
1 1 1 31 12 4  o 9.965000       1.205000      326.7001      -29.7  
1 1 1 31 12 5  o 10.04000       1.229000      370.3246      -22.9  
1 1 1 31 12 6  o 1.628000       1.203000      284.6441      -91.2  
1 1 1 31 12 7  o 27.89000       1.357000      601.8690      -173.9 
1 1 1 31 12 8  o 1.790000       1.140000      295.1324      58.0   
1 1 1 31 12 9  o 4.307000       1.159000      257.9073      -137.4 
1 1 1 31 12 10 o 7.048000       1.268000      404.5327      -69.2  
1 1 1 31 12 11 o 18.78000       1.356000      580.9600      -7.2   
1 1 1 31 12 12 o 9.994000       1.193000      459.2823      127.6  
1 1 1 31 12 13 o -0.4379000     1.305000      214.5735      134.0  
1 1 1 31 12 14 o 21.33000       1.481000      590.5946      102.2  
1 1 1 31 12 15 o 6.531000       1.448000      184.2305      -79.2  
1 1 1 31 12 16 o 1.625000       1.377000      260.9451      -3.1   
1 1 1 31 12 17 o 14.92000       1.425000      687.0522      55.7   
1 1 1 31 12 18 o 7.636000       1.430000      539.1611      10.1   
1 1 1 31 12 19 o 11.08000       1.383000      286.8745      -51.6  
1 1 1 31 12 20 o 1.778000       1.188000      244.9808      79.4   
1 1 1 31 12 21 o 2.908000       1.071000      300.0915      -105.8 
1 1 1 31 12 22 o 2.591000       1.196000      55.30986      -174.1 
1 1 1 31 12 23 o 15.42000       1.333000      398.8553      67.8   
1 1 1 31 12 24 o 5.150000       1.256000      362.1172      58.0   
1 1 1 31 12 25 o -0.7862000E-01 1.281000      150.7727      156.0  
1 1 1 31 12 26 o 16.25000       1.269000      575.6222      -163.5 
1 1 1 31 12 27 o 3.708000       1.163000      247.4219      -114.1 
1 1 1 31 12 28 o 4.712000       1.225000      338.9632      114.8  
1 1 1 31 12 29 o 4.620000       1.200000      326.2453      -140.0 
1 1 1 31 12 30 o 3.497000       1.216000      216.9583      166.0  
1 1 1 31 12 31 o 0.9676000      1.333000      162.5178      44.2   
1 1 1 31 12 32 o 0.4713000E-01  1.270000      134.1324      -27.0  
1 1 1 31 12 33 o 11.21000       1.419000      587.3231      86.1   
1 1 1 31 12 34 o 1.962000       1.255000      228.5958      -106.2 
1 1 1 31 12 35 o 11.06000       1.301000      505.5694      24.7   
1 1 1 31 12 36 o 5.967000       1.219000      356.8138      -28.8  
1 1 1 31 12 37 o 3.298000       1.216000      89.73258      -55.3  
1 1 1 31 12 38 o 3.487000       1.238000      264.7550      157.9  
1 1 1 31 12 39 o 0.5194000      1.232000      23.70244      -101.6 
1 1 1 31 12 40 o 0.8937000      1.226000      82.24959      -2.5   
1 1 1 31 12 41 o 5.710000       1.421000      430.8027      -48.4  
1 1 1 31 12 42 o 1.019000       1.453000      182.9322      137.7  
1 1 1 31 12 43 o 4.776000       1.384000      ?             ?      
1 1 1 31 12 44 o -0.6877000     1.281000      ?             ?      
1 1 1 31 12 45 o 0.6640000      1.178000      ?             ?      
1 1 1 31 12 46 o 0.8777000      1.175000      ?             ?      
1 1 1 31 12 47 o 3.425000       1.187000      ?             ?      
1 1 1 31 12 48 o 4.703000       1.193000      ?             ?      
1 1 1 31 12 49 o -0.7306000     1.124000      ?             ?      
1 1 1 31 12 50 o 2.070000       1.305000      ?             ?      
1 1 1 31 12 51 o -0.3685000     1.399000      ?             ?      
1 1 1 31 12 52 o 2.351000       1.242000      ?             ?      
1 1 1 31 12 53 o 0.4811000      1.162000      ?             ?      
1 1 1 31 12 54 o -0.4889000     1.226000      ?             ?      
1 1 1 31 12 55 o 0.9916000      1.231000      ?             ?      
1 1 1 31 12 56 o 0.7212000      1.253000      ?             ?      
1 1 1 31 12 57 o 0.8596000      1.186000      ?             ?      
1 1 1 31 12 58 o 1.793000       1.327000      ?             ?      
1 1 1 31 12 59 o -1.477000      1.383000      ?             ?      
1 1 1 31 12 60 o -1.731000      1.467000      ?             ?      
1 1 1 31 12 61 o -0.1171000     1.348000      ?             ?      
1 1 1 31 12 62 o 0.7688000E-01  1.249000      ?             ?      
1 1 1 31 13 0  o 7.058000       1.513000      438.2783      90.0   
1 1 1 31 13 1  o 12.81000       1.103000      284.7737      -83.7  
1 1 1 31 13 2  o 4.916000       1.122000      284.9253      -77.7  
1 1 1 31 13 3  o 1.588000       1.128000      256.2812      -33.3  
1 1 1 31 13 4  o -0.1831000     1.144000      144.9942      -30.2  
1 1 1 31 13 5  o 17.07000       1.241000      607.2556      -54.7  
1 1 1 31 13 6  o 0.7839000      1.120000      227.1333      128.1  
1 1 1 31 13 7  o 2.350000       1.216000      272.6411      129.4  
1 1 1 31 13 8  o 0.7839000      1.187000      268.7209      8.8    
1 1 1 31 13 9  o 2.375000       1.109000      233.6519      -53.3  
1 1 1 31 13 10 o 7.265000       1.151000      363.5153      114.4  
1 1 1 31 13 11 o 34.18000       1.992000      864.6885      143.7  
1 1 1 31 13 12 o 0.5913000      1.143000      47.21596      -69.3  
1 1 1 31 13 13 o 0.3428000      1.249000      92.21055      -66.9  
1 1 1 31 13 14 o 7.107000       1.473000      437.2084      105.7  
1 1 1 31 13 15 o 4.075000       1.514000      118.8214      176.1  
1 1 1 31 13 16 o 19.60000       1.905000      529.6168      134.0  
1 1 1 31 13 17 o 12.65000       1.619000      415.8235      47.8   
1 1 1 31 13 18 o 0.2316000      1.264000      39.50024      -9.3   
1 1 1 31 13 19 o 3.235000       1.328000      339.5839      -34.9  
1 1 1 31 13 20 o 3.288000       1.209000      283.0854      -151.9 
1 1 1 31 13 21 o 10.20000       1.127000      478.9547      138.5  
1 1 1 31 13 22 o -0.3045000     1.181000      69.46999      47.2   
1 1 1 31 13 23 o 2.944000       1.213000      197.1133      63.3   
1 1 1 31 13 24 o -0.9607000     1.232000      83.87360      161.7  
1 1 1 31 13 25 o 3.369000       1.305000      197.6971      -113.3 
1 1 1 31 13 26 o 3.858000       1.153000      217.0332      -63.6  
1 1 1 31 13 27 o 0.7738000      1.128000      79.14444      23.4   
1 1 1 31 13 28 o -0.5680000     1.151000      94.84781      -173.7 
1 1 1 31 13 29 o 1.801000       1.189000      215.4910      -158.7 
1 1 1 31 13 30 o 3.368000       1.208000      253.6154      47.1   
1 1 1 31 13 31 f 3.830000       1.298000      294.3666      -147.6 
1 1 1 31 13 32 o 4.140000       1.256000      373.2080      -140.4 
1 1 1 31 13 33 o -0.4841000     1.286000      83.75249      -165.5 
1 1 1 31 13 34 o 6.950000       1.343000      378.1836      117.6  
1 1 1 31 13 35 o 0.7699000      1.213000      135.7847      53.7   
1 1 1 31 13 36 o 10.52000       1.234000      497.3129      117.3  
1 1 1 31 13 37 o 0.9858000      1.148000      165.3211      -65.3  
1 1 1 31 13 38 o 5.354000       1.248000      211.0125      -160.5 
1 1 1 31 13 39 o 4.092000       1.231000      330.1110      148.5  
1 1 1 31 13 40 o 0.5513000      1.252000      356.6911      26.1   
1 1 1 31 13 41 o 2.083000       1.387000      115.1438      -60.9  
1 1 1 31 13 42 o 0.8721000E-01  1.429000      160.9763      28.8   
1 1 1 31 13 43 o 3.572000       1.369000      ?             ?      
1 1 1 31 13 44 o 0.8996000      1.201000      ?             ?      
1 1 1 31 13 45 o -0.2228000     1.182000      ?             ?      
1 1 1 31 13 46 o 4.858000       1.202000      ?             ?      
1 1 1 31 13 47 o 1.819000       1.175000      ?             ?      
1 1 1 31 13 48 o -2.132000      1.133000      ?             ?      
1 1 1 31 13 49 o -1.386000      1.102000      ?             ?      
1 1 1 31 13 50 o 0.3733000      1.321000      ?             ?      
1 1 1 31 13 51 o 0.5812000      1.339000      ?             ?      
1 1 1 31 13 52 o -1.376000      1.227000      ?             ?      
1 1 1 31 13 53 o 0.3201000      1.234000      ?             ?      
1 1 1 31 13 54 o 1.458000       1.257000      ?             ?      
1 1 1 31 13 55 o 0.6628000      1.325000      ?             ?      
1 1 1 31 13 56 o 1.083000       1.246000      ?             ?      
1 1 1 31 13 57 o -1.735000      1.191000      ?             ?      
1 1 1 31 13 58 o -0.6970000     1.654000      ?             ?      
1 1 1 31 13 59 o 1.671000       1.381000      ?             ?      
1 1 1 31 13 60 o -0.3326000     1.396000      ?             ?      
1 1 1 31 13 61 o 1.898000       1.265000      ?             ?      
1 1 1 31 13 62 o 1.483000       1.252000      ?             ?      
1 1 1 31 14 0  o -1.285000      1.532000      113.5025      -90.0  
1 1 1 31 14 1  o 11.21000       1.155000      534.7169      -44.9  
1 1 1 31 14 2  o 11.30000       1.151000      330.1642      90.6   
1 1 1 31 14 3  o 14.67000       1.184000      726.5785      76.6   
1 1 1 31 14 4  o 6.526000       1.158000      303.9752      -32.8  
1 1 1 31 14 5  o 8.995000       1.277000      467.6156      -51.9  
1 1 1 31 14 6  o 8.856000       1.224000      381.6892      -96.4  
1 1 1 31 14 7  o 6.200000       1.129000      400.1796      138.2  
1 1 1 31 14 8  o 2.731000       1.106000      344.5150      164.6  
1 1 1 31 14 9  o 1.732000       1.103000      180.3439      -84.8  
1 1 1 31 14 10 o 2.165000       1.103000      255.3926      -68.4  
1 1 1 31 14 11 o 0.4739000      1.145000      185.1499      -17.2  
1 1 1 31 14 12 o 14.91000       1.463000      637.9863      -149.5 
1 1 1 31 14 13 o 6.868000       1.820000      363.4708      92.4   
1 1 1 31 14 14 o 9.398000       1.608000      349.3746      55.4   
1 1 1 31 14 15 o 15.76000       2.017000      647.8019      -127.4 
1 1 1 31 14 16 o -0.5158000     1.357000      114.0731      -100.8 
1 1 1 31 14 17 o 1.956000       1.489000      245.2153      2.7    
1 1 1 31 14 18 o 4.929000       1.265000      349.6852      83.7   
1 1 1 31 14 19 o 10.06000       1.349000      474.4985      -146.4 
1 1 1 31 14 20 o 6.134000       1.110000      352.4184      -111.6 
1 1 1 31 14 21 o 3.113000       1.105000      241.1100      -107.5 
1 1 1 31 14 22 o 1.414000       1.203000      100.0988      -140.0 
1 1 1 31 14 23 o 1.327000       1.213000      258.9459      39.5   
1 1 1 31 14 24 o 6.654000       1.285000      382.6921      77.3   
1 1 1 31 14 25 o 1.768000       1.313000      121.3318      162.0  
1 1 1 31 14 26 o 2.521000       1.170000      131.9271      69.6   
1 1 1 31 14 27 o 2.129000       1.144000      191.0315      -67.8  
1 1 1 31 14 28 o 2.003000       1.138000      70.30563      83.5   
1 1 1 31 14 29 o 0.7614000      1.104000      27.24755      -142.2 
1 1 1 31 14 30 o 0.5455000      1.194000      215.6754      -20.7  
1 1 1 31 14 31 o 3.711000       1.215000      207.7046      -146.0 
1 1 1 31 14 32 o -0.2101000     1.334000      157.6396      65.9   
1 1 1 31 14 33 o 5.569000       1.285000      245.7223      -162.5 
1 1 1 31 14 34 o 5.578000       1.333000      346.2886      -53.4  
1 1 1 31 14 35 f 2.112000       1.165000      172.2467      -118.1 
1 1 1 31 14 36 o 1.420000       1.147000      140.9234      -173.3 
1 1 1 31 14 37 o 2.386000       1.149000      198.9641      -155.5 
1 1 1 31 14 38 o 1.500000       1.152000      163.0413      -25.9  
1 1 1 31 14 39 o 3.570000       1.234000      203.4040      -42.1  
1 1 1 31 14 40 o 2.159000       1.382000      286.8912      -86.4  
1 1 1 31 14 41 o -0.2255000E-01 1.390000      213.8554      31.3   
1 1 1 31 14 42 o 0.8073000      1.336000      ?             ?      
1 1 1 31 14 43 o 0.2256000      1.278000      ?             ?      
1 1 1 31 14 44 o -0.2728000     1.177000      ?             ?      
1 1 1 31 14 45 o 2.997000       1.197000      ?             ?      
1 1 1 31 14 46 o 0.4872000      1.180000      ?             ?      
1 1 1 31 14 47 o 1.348000       1.156000      ?             ?      
1 1 1 31 14 48 o 0.6993000      1.130000      ?             ?      
1 1 1 31 14 49 o 0.7024000      1.117000      ?             ?      
1 1 1 31 14 50 o 1.817000       1.326000      ?             ?      
1 1 1 31 14 51 o 0.8042000      1.339000      ?             ?      
1 1 1 31 14 52 o 0.4233000      1.220000      ?             ?      
1 1 1 31 14 53 o -0.5644000     1.275000      ?             ?      
1 1 1 31 14 54 o 1.894000       1.169000      ?             ?      
1 1 1 31 14 55 o 1.276000       1.242000      ?             ?      
1 1 1 31 14 56 o -0.9652000     1.244000      ?             ?      
1 1 1 31 14 57 o -1.400000      1.288000      ?             ?      
1 1 1 31 14 58 o 2.060000       1.397000      ?             ?      
1 1 1 31 14 59 o -0.4413000     1.453000      ?             ?      
1 1 1 31 14 60 o 0.1806000E-01  1.351000      ?             ?      
1 1 1 31 14 61 o -0.8147000     1.235000      ?             ?      
1 1 1 31 14 62 o -1.256000      1.237000      ?             ?      
1 1 1 31 15 0  o -1.489000      1.384000      3.030843      -90.0  
1 1 1 31 15 1  o -0.3428000     1.143000      154.5658      141.2  
1 1 1 31 15 2  o -0.3467000     1.177000      122.4212      131.4  
1 1 1 31 15 3  o -0.3235000     1.116000      88.11190      -10.4  
1 1 1 31 15 4  o 1.457000       1.097000      258.2336      72.4   
1 1 1 31 15 5  o 1.045000       1.071000      112.2063      -60.1  
1 1 1 31 15 6  o 0.9065000      1.092000      150.1372      166.5  
1 1 1 31 15 7  o 5.398000       1.127000      487.5351      27.5   
1 1 1 31 15 8  o 0.9567000      1.099000      150.3096      -78.1  
1 1 1 31 15 9  o 2.295000       1.124000      265.1561      -119.4 
1 1 1 31 15 10 o 1.110000       1.163000      223.5070      115.8  
1 1 1 31 15 11 o 2.653000       1.317000      191.4342      131.5  
1 1 1 31 15 12 o 0.1649000      1.256000      63.27082      37.8   
1 1 1 31 15 13 o 0.3539000      1.334000      67.30377      -48.2  
1 1 1 31 15 14 o 0.7291000      2.003000      159.8878      125.7  
1 1 1 31 15 15 o 9.596000       1.641000      463.7926      91.5   
1 1 1 31 15 16 o 4.825000       1.613000      253.6875      173.4  
1 1 1 31 15 17 o 2.107000       1.389000      172.6571      -64.9  
1 1 1 31 15 18 o 7.470000       1.217000      562.5468      -32.9  
1 1 1 31 15 19 o 2.149000       1.142000      119.0333      -132.3 
1 1 1 31 15 20 o 0.9405000      1.067000      120.7183      176.4  
1 1 1 31 15 21 o -0.8278000     1.068000      94.95970      148.6  
1 1 1 31 15 22 o -0.5118000     1.217000      23.94318      162.0  
1 1 1 31 15 23 o 5.842000       1.276000      265.7727      157.6  
1 1 1 31 15 24 o 11.69000       1.365000      472.8156      176.2  
1 1 1 31 15 25 o -0.4294000     1.331000      97.56234      136.3  
1 1 1 31 15 26 o 11.40000       1.489000      457.7202      -3.5   
1 1 1 31 15 27 o 7.714000       1.265000      374.2484      136.5  
1 1 1 31 15 28 f 1.112000       1.116000      18.20827      -112.9 
1 1 1 31 15 29 o 1.496000       1.081000      197.5151      64.2   
1 1 1 31 15 30 o 0.1253000      1.195000      154.0226      156.4  
1 1 1 31 15 31 o 4.966000       1.251000      347.4754      -141.2 
1 1 1 31 15 32 o 0.3722000      1.304000      185.5267      -172.7 
1 1 1 31 15 33 o 2.134000       1.256000      265.6962      48.6   
1 1 1 31 15 34 o 2.863000       1.238000      165.5747      39.0   
1 1 1 31 15 35 o -0.3696000     1.232000      117.2783      20.4   
1 1 1 31 15 36 o -0.7032000     1.118000      18.40244      -97.7  
1 1 1 31 15 37 o -0.6341000     1.128000      68.31419      63.3   
1 1 1 31 15 38 o 1.706000       1.148000      213.6175      13.9   
1 1 1 31 15 39 o 1.593000       1.169000      290.6704      87.0   
1 1 1 31 15 40 o 1.624000       1.359000      205.5878      46.0   
1 1 1 31 15 41 o 2.284000       1.563000      212.6285      -91.9  
1 1 1 31 15 42 o 0.7400000      1.303000      ?             ?      
1 1 1 31 15 43 o 0.7525000      1.185000      ?             ?      
1 1 1 31 15 44 o 2.915000       1.186000      ?             ?      
1 1 1 31 15 45 o -1.299000      1.164000      ?             ?      
1 1 1 31 15 46 o -0.3529000     1.161000      ?             ?      
1 1 1 31 15 47 o 4.327000       1.178000      ?             ?      
1 1 1 31 15 48 o 1.450000       1.133000      ?             ?      
1 1 1 31 15 49 f -1.459000      1.111000      ?             ?      
1 1 1 31 15 50 o 0.7407000      1.138000      ?             ?      
1 1 1 31 15 51 o 2.154000       1.336000      ?             ?      
1 1 1 31 15 52 o 0.8374000      1.393000      ?             ?      
1 1 1 31 15 53 o -0.5809000     1.222000      ?             ?      
1 1 1 31 15 54 o 0.9759000      1.146000      ?             ?      
1 1 1 31 15 55 o 0.4078000      1.236000      ?             ?      
1 1 1 31 15 56 o 0.2314000      1.325000      ?             ?      
1 1 1 31 15 57 o -1.184000      1.399000      ?             ?      
1 1 1 31 15 58 o 0.2446000      1.489000      ?             ?      
1 1 1 31 15 59 o -0.8836000     1.367000      ?             ?      
1 1 1 31 15 60 o 0.7327000E-01  1.248000      ?             ?      
1 1 1 31 15 61 o 2.156000       1.258000      ?             ?      
1 1 1 31 16 0  o -0.5031000     1.669000      223.0561      -90.0  
1 1 1 31 16 1  o 0.7484000      1.100000      18.37344      63.7   
1 1 1 31 16 2  o 1.965000       1.044000      111.1834      136.2  
1 1 1 31 16 3  o 1.919000       1.053000      177.4364      97.6   
1 1 1 31 16 4  o 1.080000       1.070000      161.0795      -69.2  
1 1 1 31 16 5  o 11.71000       1.180000      493.2726      -39.4  
1 1 1 31 16 6  o 0.2669000      1.120000      137.0441      -17.6  
1 1 1 31 16 7  o -1.202000      1.164000      228.8242      76.8   
1 1 1 31 16 8  o 0.1319000      1.160000      86.91199      -174.0 
1 1 1 31 16 9  o 4.877000       1.179000      344.1866      -65.5  
1 1 1 31 16 10 o 3.233000       1.266000      279.1462      -80.0  
1 1 1 31 16 11 o 0.1976000      1.345000      133.2786      -113.3 
1 1 1 31 16 12 o -1.278000      1.461000      87.09077      164.4  
1 1 1 31 16 13 o 2.906000       1.338000      176.6788      98.3   
1 1 1 31 16 14 o 1.366000       1.487000      314.1585      -119.3 
1 1 1 31 16 15 o 18.32000       1.536000      614.0140      -114.6 
1 1 1 31 16 16 o 0.1104000      1.420000      179.9526      -106.5 
1 1 1 31 16 17 o 1.590000       1.333000      277.9420      14.7   
1 1 1 31 16 18 o -0.6281000     1.315000      107.4837      146.2  
1 1 1 31 16 19 o 4.199000       1.103000      296.4295      -124.8 
1 1 1 31 16 20 o 4.348000       1.081000      325.2353      -115.4 
1 1 1 31 16 21 o 0.5876000      1.082000      139.9506      72.4   
1 1 1 31 16 22 o 4.569000       1.275000      309.7283      -82.3  
1 1 1 31 16 23 o 4.065000       1.281000      297.3209      -57.0  
1 1 1 31 16 24 o -0.7907000     1.278000      179.2726      11.1   
1 1 1 31 16 25 o 8.314000       1.386000      525.7190      85.9   
1 1 1 31 16 26 o 2.253000       1.363000      114.4241      -169.8 
1 1 1 31 16 27 o 0.3613000      1.118000      90.94669      4.9    
1 1 1 31 16 28 o -1.103000      1.110000      35.26621      161.7  
1 1 1 31 16 29 o 2.870000       1.093000      174.8486      7.5    
1 1 1 31 16 30 o 2.499000       1.108000      309.9919      -113.2 
1 1 1 31 16 31 o 5.378000       1.235000      310.2086      -129.4 
1 1 1 31 16 32 o -0.2559000E-01 1.213000      223.8229      39.3   
1 1 1 31 16 33 o -0.3873000     1.333000      202.2220      -146.3 
1 1 1 31 16 34 o -0.3206000     1.229000      94.15605      -48.9  
1 1 1 31 16 35 o 0.6984000      1.222000      152.1094      159.5  
1 1 1 31 16 36 o 2.940000       1.137000      134.0335      156.0  
1 1 1 31 16 37 o 0.3554000      1.124000      78.77621      14.4   
1 1 1 31 16 38 o 0.6086000      1.125000      86.62685      -88.8  
1 1 1 31 16 39 o 0.3757000      1.263000      127.4676      107.1  
1 1 1 31 16 40 o 1.064000       1.282000      272.8745      -112.2 
1 1 1 31 16 41 o 1.769000       1.308000      ?             ?      
1 1 1 31 16 42 o -0.8706000     1.222000      ?             ?      
1 1 1 31 16 43 o -0.2546000     1.148000      ?             ?      
1 1 1 31 16 44 o -0.1123000     1.155000      ?             ?      
1 1 1 31 16 45 o 3.165000       1.183000      ?             ?      
1 1 1 31 16 46 o 1.101000       1.152000      ?             ?      
1 1 1 31 16 47 o -2.190000      1.126000      ?             ?      
1 1 1 31 16 48 o 0.8628000      1.110000      ?             ?      
1 1 1 31 16 49 o -1.923000      1.107000      ?             ?      
1 1 1 31 16 50 o 1.567000       1.117000      ?             ?      
1 1 1 31 16 51 o -0.9466000E-03 1.321000      ?             ?      
1 1 1 31 16 52 o -0.8508000     1.333000      ?             ?      
1 1 1 31 16 53 o 2.616000       1.241000      ?             ?      
1 1 1 31 16 54 o 4.191000       1.264000      ?             ?      
1 1 1 31 16 55 o 1.717000       1.251000      ?             ?      
1 1 1 31 16 56 o -0.5676000     1.270000      ?             ?      
1 1 1 31 16 57 o -0.3143000     2.131000      ?             ?      
1 1 1 31 16 58 o 2.031000       1.624000      ?             ?      
1 1 1 31 16 59 o 2.587000       1.383000      ?             ?      
1 1 1 31 16 60 o 1.412000       1.243000      ?             ?      
1 1 1 31 16 61 o -0.2406000     1.262000      ?             ?      
1 1 1 31 17 0  o 1.142000       1.413000      334.1901      90.0   
1 1 1 31 17 1  o -0.9836000     1.027000      95.94704      66.4   
1 1 1 31 17 2  o 0.7100000      1.019000      93.06695      -102.6 
1 1 1 31 17 3  o 3.966000       1.147000      250.0445      54.2   
1 1 1 31 17 4  o 1.832000       1.175000      181.5518      69.5   
1 1 1 31 17 5  o 1.845000       1.140000      125.3885      86.2   
1 1 1 31 17 6  o 3.637000       1.200000      262.6897      67.6   
1 1 1 31 17 7  o 5.228000       1.168000      327.5675      38.5   
1 1 1 31 17 8  o 3.104000       1.140000      262.6206      -150.9 
1 1 1 31 17 9  o 1.531000       1.193000      55.32821      -60.4  
1 1 1 31 17 10 o 0.9228000      1.359000      105.6834      101.2  
1 1 1 31 17 11 o 0.4983000      1.280000      144.7638      93.3   
1 1 1 31 17 12 o -1.355000      1.226000      28.56333      69.5   
1 1 1 31 17 13 o 1.077000       1.304000      278.2663      -23.1  
1 1 1 31 17 14 o 1.440000       1.185000      231.0398      -28.2  
1 1 1 31 17 15 o 1.454000       1.229000      179.1466      14.5   
1 1 1 31 17 16 o 1.802000       1.374000      237.6252      -76.5  
1 1 1 31 17 17 o 3.128000       1.342000      204.7183      -31.4  
1 1 1 31 17 18 o 3.541000       1.359000      274.6954      -17.9  
1 1 1 31 17 19 o 0.7746000      1.191000      192.7392      -165.7 
1 1 1 31 17 20 o -0.6553000     1.090000      27.07841      107.0  
1 1 1 31 17 21 o 1.787000       1.103000      255.4365      -21.7  
1 1 1 31 17 22 o -0.8367000     1.107000      84.32937      122.0  
1 1 1 31 17 23 o 2.312000       1.293000      254.2774      133.7  
1 1 1 31 17 24 o 4.787000       1.298000      275.9917      169.7  
1 1 1 31 17 25 o 0.7250000      1.289000      31.53481      51.7   
1 1 1 31 17 26 o 2.212000       1.339000      51.16423      130.0  
1 1 1 31 17 27 o 1.171000       1.133000      124.3793      110.9  
1 1 1 31 17 28 o 2.307000       1.140000      150.9769      36.7   
1 1 1 31 17 29 o -0.3602000     1.147000      258.3914      -33.6  
1 1 1 31 17 30 o 0.7687000      1.092000      194.1587      -93.1  
1 1 1 31 17 31 o -1.881000      1.181000      99.84914      -120.2 
1 1 1 31 17 32 o 1.521000       1.202000      121.3577      79.3   
1 1 1 31 17 33 o 2.001000       1.227000      129.3339      37.6   
1 1 1 31 17 34 o 0.8111000      1.345000      168.1328      -20.1  
1 1 1 31 17 35 o 0.6458000      1.227000      85.28198      -28.4  
1 1 1 31 17 36 o 0.6957000      1.225000      87.60283      -163.7 
1 1 1 31 17 37 o 1.233000       1.142000      149.7986      -99.4  
1 1 1 31 17 38 o -0.3962000     1.119000      53.83207      -31.7  
1 1 1 31 17 39 o 1.490000       1.255000      49.85858      -3.8   
1 1 1 31 17 40 o -1.061000      1.379000      50.90354      -162.3 
1 1 1 31 17 41 o -1.278000      1.208000      ?             ?      
1 1 1 31 17 42 o -0.7108000     1.142000      ?             ?      
1 1 1 31 17 43 o -0.2617000     1.144000      ?             ?      
1 1 1 31 17 44 o -0.1241000     1.146000      ?             ?      
1 1 1 31 17 45 o -0.3708000     1.148000      ?             ?      
1 1 1 31 17 46 o -0.8848000     1.125000      ?             ?      
1 1 1 31 17 47 o 0.5836000      1.115000      ?             ?      
1 1 1 31 17 48 o -1.204000      1.096000      ?             ?      
1 1 1 31 17 49 o -1.032000      1.101000      ?             ?      
1 1 1 31 17 50 o 0.6580000      1.109000      ?             ?      
1 1 1 31 17 51 o 0.3319000E-01  1.306000      ?             ?      
1 1 1 31 17 52 o 1.041000       1.328000      ?             ?      
1 1 1 31 17 53 o 0.6983000      1.246000      ?             ?      
1 1 1 31 17 54 o -0.8775000     1.411000      ?             ?      
1 1 1 31 17 55 o 0.5058000      1.149000      ?             ?      
1 1 1 31 17 56 o -1.680000      1.461000      ?             ?      
1 1 1 31 17 57 o -1.045000      1.648000      ?             ?      
1 1 1 31 17 58 o 0.4685000      1.460000      ?             ?      
1 1 1 31 17 59 o -0.7801000     1.234000      ?             ?      
1 1 1 31 17 60 o 0.4795000      1.237000      ?             ?      
1 1 1 31 17 61 o 0.4273000      1.240000      ?             ?      
1 1 1 31 18 0  o -0.9846000     1.579000      42.06835      90.0   
1 1 1 31 18 1  o 0.3069000      1.013000      84.59296      154.6  
1 1 1 31 18 2  o -1.446000      1.071000      25.12242      112.9  
1 1 1 31 18 3  o -0.7392000E-01 1.126000      247.7295      170.8  
1 1 1 31 18 4  o 1.314000       1.071000      173.1765      -99.8  
1 1 1 31 18 5  o -1.476000      1.749000      69.08333      -106.7 
1 1 1 31 18 6  o -3.399000      1.285000      53.27444      136.9  
1 1 1 31 18 7  o -1.924000      1.319000      189.4594      -25.6  
1 1 1 31 18 8  o 0.2662000      1.104000      114.7617      -80.4  
1 1 1 31 18 9  o 1.256000       1.224000      218.1432      -95.2  
1 1 1 31 18 10 o 2.679000       1.299000      142.4504      -172.2 
1 1 1 31 18 11 o -1.414000      1.242000      142.2266      39.3   
1 1 1 31 18 12 o -0.4101000     1.298000      249.5140      60.6   
1 1 1 31 18 13 o 1.158000       1.147000      96.33061      -10.5  
1 1 1 31 18 14 o 0.2327000      1.084000      177.3512      49.6   
1 1 1 31 18 15 o -0.4668000     1.302000      56.54420      -80.1  
1 1 1 31 18 16 o 0.3025000      1.308000      49.77780      -101.4 
1 1 1 31 18 17 o -1.969000      1.322000      101.5378      38.4   
1 1 1 31 18 18 o 2.386000       1.181000      207.1093      -118.1 
1 1 1 31 18 19 o 0.8545000      1.129000      21.68819      -56.1  
1 1 1 31 18 20 o -3.137000      1.226000      93.53798      161.3  
1 1 1 31 18 21 o 0.9396000      1.083000      115.4423      129.7  
1 1 1 31 18 22 o 3.099000       1.273000      367.0725      -63.2  
1 1 1 31 18 23 o 0.5569000      1.258000      96.08549      3.9    
1 1 1 31 18 24 o -2.067000      1.265000      36.51694      160.0  
1 1 1 31 18 25 o 0.8139000      1.267000      71.78501      42.1   
1 1 1 31 18 26 o -0.8043000     1.311000      93.34347      22.4   
1 1 1 31 18 27 f -0.5365000E-01 1.147000      141.8049      99.0   
1 1 1 31 18 28 o 1.441000       1.153000      34.04850      -163.0 
1 1 1 31 18 29 o -0.1461000     1.165000      143.3612      2.1    
1 1 1 31 18 30 o -2.793000      1.099000      57.42583      -134.1 
1 1 1 31 18 31 o -0.5881000     1.100000      92.76781      -114.3 
1 1 1 31 18 32 o 0.9953000      1.180000      94.41149      59.9   
1 1 1 31 18 33 o 0.7054000      1.199000      34.06597      -83.2  
1 1 1 31 18 34 o 1.370000       1.352000      87.73056      -70.3  
1 1 1 31 18 35 o -1.488000      1.217000      33.26367      1.5    
1 1 1 31 18 36 o 0.6779000E-01  1.229000      146.2931      21.7   
1 1 1 31 18 37 o -1.762000      1.122000      82.63718      -23.2  
1 1 1 31 18 38 o 1.036000       1.227000      71.84372      -24.2  
1 1 1 31 18 39 o 0.1219000      1.333000      66.12036      44.3   
1 1 1 31 18 40 o -0.2203000     1.190000      ?             ?      
1 1 1 31 18 41 o -0.5930000     1.138000      ?             ?      
1 1 1 31 18 42 o -0.8681000     1.084000      ?             ?      
1 1 1 31 18 43 o 0.1632000      1.139000      ?             ?      
1 1 1 31 18 44 o 0.5632000      1.153000      ?             ?      
1 1 1 31 18 45 o 1.342000       1.138000      ?             ?      
1 1 1 31 18 46 o 0.2995000      1.109000      ?             ?      
1 1 1 31 18 47 o -2.033000      1.108000      ?             ?      
1 1 1 31 18 48 o -0.5121000     1.092000      ?             ?      
1 1 1 31 18 49 o -0.3681000     1.096000      ?             ?      
1 1 1 31 18 50 o 1.942000       1.107000      ?             ?      
1 1 1 31 18 51 o -1.543000      1.125000      ?             ?      
1 1 1 31 18 52 o 1.519000       1.333000      ?             ?      
1 1 1 31 18 53 o 0.1262000      1.406000      ?             ?      
1 1 1 31 18 54 o -0.9178000     1.233000      ?             ?      
1 1 1 31 18 55 o -1.257000      1.162000      ?             ?      
1 1 1 31 18 56 o 0.6148000      1.533000      ?             ?      
1 1 1 31 18 57 o -0.1641000     1.557000      ?             ?      
1 1 1 31 18 58 o -2.601000      1.472000      ?             ?      
1 1 1 31 18 59 o -2.887000      1.303000      ?             ?      
1 1 1 31 18 60 o 1.168000       1.241000      ?             ?      
1 1 1 31 19 0  o -3.258000      1.872000      10.04772      90.0   
1 1 1 31 19 1  o -1.249000      1.221000      203.2957      -98.6  
1 1 1 31 19 2  o 0.2934000      1.031000      74.28668      -83.9  
1 1 1 31 19 3  o -0.8623000     1.041000      134.3794      12.3   
1 1 1 31 19 4  o 0.4030000      1.060000      79.92267      -61.8  
1 1 1 31 19 5  o 1.185000       1.037000      133.5455      69.3   
1 1 1 31 19 6  o 0.7865000      1.035000      108.9206      116.3  
1 1 1 31 19 7  o 0.1924000      1.055000      92.55157      38.9   
1 1 1 31 19 8  o -0.6090000     1.183000      5.587502      35.5   
1 1 1 31 19 9  o -0.7402000     1.646000      34.30435      -48.5  
1 1 1 31 19 10 o -2.652000      1.583000      81.66432      -131.8 
1 1 1 31 19 11 o 1.364000       1.237000      83.78561      70.1   
1 1 1 31 19 12 o 0.6119000      1.230000      82.04443      79.8   
1 1 1 31 19 13 o -1.490000      1.115000      31.14268      170.3  
1 1 1 31 19 14 o -0.3874000     1.065000      113.0676      -26.6  
1 1 1 31 19 15 o 0.2298000      1.233000      50.57751      142.5  
1 1 1 31 19 16 o -0.8733000     1.253000      130.6776      -61.3  
1 1 1 31 19 17 o -0.7816000E-01 1.323000      172.3020      -26.9  
1 1 1 31 19 18 o -1.524000      1.145000      45.62558      -74.7  
1 1 1 31 19 19 o 1.326000       1.109000      53.06016      -69.5  
1 1 1 31 19 20 o 0.5356000      1.174000      122.4537      100.1  
1 1 1 31 19 21 o -0.2991000     1.100000      47.16183      -147.6 
1 1 1 31 19 22 o 1.058000       1.226000      61.47162      95.4   
1 1 1 31 19 23 o -0.3643000E-01 1.267000      199.2311      81.1   
1 1 1 31 19 24 o -1.068000      1.256000      73.75531      160.8  
1 1 1 31 19 25 o -0.4642000     1.250000      23.11732      59.8   
1 1 1 31 19 26 o 0.8153000      1.300000      68.55924      34.0   
1 1 1 31 19 27 o -0.3025000     1.155000      68.67735      123.3  
1 1 1 31 19 28 o 0.5522000      1.171000      66.61200      -71.7  
1 1 1 31 19 29 o -0.7094000     1.206000      196.4867      -23.1  
1 1 1 31 19 30 o -0.8707000     1.126000      64.03998      -16.8  
1 1 1 31 19 31 o 0.3013000      1.119000      3.313231      -156.8 
1 1 1 31 19 32 o 0.1327000      1.189000      103.0331      79.0   
1 1 1 31 19 33 o -0.8727000     1.189000      66.22904      -59.0  
1 1 1 31 19 34 o -2.397000      1.199000      97.49201      38.9   
1 1 1 31 19 35 o -1.673000      1.341000      90.82555      108.0  
1 1 1 31 19 36 o 1.404000       1.244000      56.61909      -173.3 
1 1 1 31 19 37 o 0.4884000      1.279000      121.4034      -69.6  
1 1 1 31 19 38 o 1.091000       1.235000      86.62653      33.5   
1 1 1 31 19 39 o 1.118000       1.330000      81.97196      109.1  
1 1 1 31 19 40 o -1.541000      1.175000      ?             ?      
1 1 1 31 19 41 o -0.2401000     1.072000      ?             ?      
1 1 1 31 19 42 o 0.5350000      1.076000      ?             ?      
1 1 1 31 19 43 o -0.1278000     1.099000      ?             ?      
1 1 1 31 19 44 o 2.828000       1.157000      ?             ?      
1 1 1 31 19 45 o -0.3651000     1.116000      ?             ?      
1 1 1 31 19 46 o -1.689000      1.120000      ?             ?      
1 1 1 31 19 47 o -1.386000      1.113000      ?             ?      
1 1 1 31 19 48 o -0.8773000     1.100000      ?             ?      
1 1 1 31 19 49 o 0.1357000      1.094000      ?             ?      
1 1 1 31 19 50 o -0.8268000     1.094000      ?             ?      
1 1 1 31 19 51 o -0.4727000E-01 1.118000      ?             ?      
1 1 1 31 19 52 o -0.5334000     1.309000      ?             ?      
1 1 1 31 19 53 o -0.4257000     1.332000      ?             ?      
1 1 1 31 19 54 o -0.7403000     1.239000      ?             ?      
1 1 1 31 19 55 o 1.011000       1.465000      ?             ?      
1 1 1 31 19 56 o 0.4966000      1.349000      ?             ?      
1 1 1 31 19 57 o 0.1509000      1.482000      ?             ?      
1 1 1 31 19 58 o -1.597000      1.382000      ?             ?      
1 1 1 31 19 59 o -0.1869000     1.312000      ?             ?      
1 1 1 31 19 60 o -0.4556000     1.690000      ?             ?      
1 1 1 31 20 0  o 1.183000       1.638000      32.11233      -90.0  
1 1 1 31 20 1  o -0.5326000     1.091000      64.24619      20.6   
1 1 1 31 20 2  o -1.687000      1.126000      63.06598      76.5   
1 1 1 31 20 3  o 1.495000       1.216000      60.68630      -123.4 
1 1 1 31 20 4  o -0.7166000     0.9994000     91.60188      169.8  
1 1 1 31 20 5  o -0.5543000E-01 0.9779000     85.31140      165.3  
1 1 1 31 20 6  o -0.7004000     0.9940000     84.03227      -19.8  
1 1 1 31 20 7  o 1.011000       1.118000      102.6921      -80.6  
1 1 1 31 20 8  o -2.112000      1.112000      69.78215      169.9  
1 1 1 31 20 9  o 1.406000       1.203000      42.38599      11.5   
1 1 1 31 20 10 o -0.9133000     1.194000      81.73486      152.6  
1 1 1 31 20 11 o -1.134000      1.256000      48.54129      75.6   
1 1 1 31 20 12 o -1.475000      1.244000      24.12040      93.7   
1 1 1 31 20 13 o -1.251000      1.168000      76.57995      84.9   
1 1 1 31 20 14 o 0.1032000      1.052000      74.44051      20.6   
1 1 1 31 20 15 o -0.4410000     1.216000      97.83063      22.5   
1 1 1 31 20 16 o 0.5821000      1.228000      20.66910      -129.8 
1 1 1 31 20 17 o -1.299000      1.254000      83.72720      168.6  
1 1 1 31 20 18 o -1.197000      1.100000      48.01291      -69.1  
1 1 1 31 20 19 o -0.1262000     1.153000      80.36676      -67.8  
1 1 1 31 20 20 o -1.931000      1.137000      55.93180      -81.6  
1 1 1 31 20 21 o 0.4672000      1.143000      111.5468      -157.8 
1 1 1 31 20 22 o 0.3787000      1.270000      46.17547      -13.8  
1 1 1 31 20 23 o -2.961000      1.390000      65.27260      163.4  
1 1 1 31 20 24 o -1.561000      1.235000      47.16574      -111.3 
1 1 1 31 20 25 o -0.3308000     1.223000      46.69873      11.1   
1 1 1 31 20 26 o 1.067000       1.266000      38.87791      57.9   
1 1 1 31 20 27 o -0.4799000     1.296000      119.1947      162.9  
1 1 1 31 20 28 o 0.8091000      1.178000      50.49958      150.5  
1 1 1 31 20 29 o -0.4474000     1.201000      92.53554      21.8   
1 1 1 31 20 30 o -0.4910000     1.128000      19.74944      83.9   
1 1 1 31 20 31 o 1.329000       1.111000      98.06346      -91.4  
1 1 1 31 20 32 o -1.531000      1.106000      37.49365      -27.1  
1 1 1 31 20 33 o -1.143000      1.182000      67.97693      -161.4 
1 1 1 31 20 34 o -3.120000      1.200000      64.82248      118.8  
1 1 1 31 20 35 o 0.4291000      1.300000      64.35372      129.2  
1 1 1 31 20 36 o -1.690000      1.259000      65.66499      39.3   
1 1 1 31 20 37 o 1.469000       1.334000      93.50977      -117.7 
1 1 1 31 20 38 o -1.063000      1.365000      41.51291      147.1  
1 1 1 31 20 39 o 0.2320000      1.275000      ?             ?      
1 1 1 31 20 40 o -0.8787000     1.112000      ?             ?      
1 1 1 31 20 41 o -1.542000      1.058000      ?             ?      
1 1 1 31 20 42 o 0.2995000      1.068000      ?             ?      
1 1 1 31 20 43 o 0.9081000E-01  1.090000      ?             ?      
1 1 1 31 20 44 o 0.1122000      1.082000      ?             ?      
1 1 1 31 20 45 o 0.9265000E-01  1.119000      ?             ?      
1 1 1 31 20 46 o -0.5533000     1.109000      ?             ?      
1 1 1 31 20 47 o -0.2479000     1.102000      ?             ?      
1 1 1 31 20 48 o 0.6232000      1.090000      ?             ?      
1 1 1 31 20 49 o -0.6861000     1.092000      ?             ?      
1 1 1 31 20 50 o 0.1771000      1.102000      ?             ?      
1 1 1 31 20 51 o -0.5665000     1.116000      ?             ?      
1 1 1 31 20 52 o -1.374000      1.445000      ?             ?      
1 1 1 31 20 53 o 0.4169000      1.326000      ?             ?      
1 1 1 31 20 54 o -0.8689000     1.248000      ?             ?      
1 1 1 31 20 55 o 0.9830000      1.495000      ?             ?      
1 1 1 31 20 56 o 0.2894000      1.417000      ?             ?      
1 1 1 31 20 57 o 0.4340000      1.493000      ?             ?      
1 1 1 31 20 58 o 0.1169000      1.293000      ?             ?      
1 1 1 31 20 59 o 0.4935000      1.311000      ?             ?      
1 1 1 31 20 60 o -1.286000      1.798000      ?             ?      
1 1 1 31 21 0  o -0.9864000     1.326000      61.37084      90.0   
1 1 1 31 21 1  o 0.3345000      1.057000      62.95242      -64.8  
1 1 1 31 21 2  o -0.2522000     1.048000      69.69641      -48.2  
1 1 1 31 21 3  o -1.462000      1.037000      142.8080      -111.0 
1 1 1 31 21 4  o -0.2605000     1.053000      46.22201      -88.5  
1 1 1 31 21 5  o -0.1809000     1.178000      34.04635      104.9  
1 1 1 31 21 6  o -0.4572000     1.041000      11.68781      172.2  
1 1 1 31 21 7  o -0.4397000     1.062000      30.98207      39.8   
1 1 1 31 21 8  o -2.208000      1.179000      65.90295      -95.4  
1 1 1 31 21 9  o -0.5019000E-01 1.176000      32.73075      -174.9 
1 1 1 31 21 10 o 1.345000       1.246000      45.50385      -147.9 
1 1 1 31 21 11 o -0.5766000     1.105000      65.25166      7.7    
1 1 1 31 21 12 o -0.4012000     1.082000      76.57703      101.9  
1 1 1 31 21 13 o 0.2812000      1.081000      37.58584      108.8  
1 1 1 31 21 14 o 1.920000       1.145000      111.3512      -152.3 
1 1 1 31 21 15 o 0.9150000      1.121000      59.91674      -92.6  
1 1 1 31 21 16 o -1.273000      1.199000      92.02813      -20.3  
1 1 1 31 21 17 o -1.168000      1.075000      52.18424      -17.5  
1 1 1 31 21 18 o 0.2782000      1.097000      24.48563      -52.1  
1 1 1 31 21 19 o -1.524000      1.167000      100.6428      52.0   
1 1 1 31 21 20 o -0.1491000E-01 1.135000      23.27604      91.7   
1 1 1 31 21 21 o -1.007000      1.145000      6.354445      -170.2 
1 1 1 31 21 22 o 0.7672000      1.523000      17.37426      -80.5  
1 1 1 31 21 23 o 0.3776000      1.249000      25.41882      172.5  
1 1 1 31 21 24 o -0.2223000     1.203000      48.73817      -5.9   
1 1 1 31 21 25 o -2.633000      1.186000      45.07865      -170.0 
1 1 1 31 21 26 o 1.662000       1.241000      81.33013      -141.3 
1 1 1 31 21 27 o -0.4142000     1.283000      25.16465      -105.6 
1 1 1 31 21 28 o -1.398000      1.168000      70.44248      55.6   
1 1 1 31 21 29 o -0.2700000E-01 1.168000      37.66619      80.0   
1 1 1 31 21 30 o 1.483000       1.163000      77.74873      -104.8 
1 1 1 31 21 31 o -1.325000      1.095000      53.53730      23.5   
1 1 1 31 21 32 o -0.4024000     1.113000      39.46910      -32.9  
1 1 1 31 21 33 o -0.6401000     1.136000      88.08715      -114.1 
1 1 1 31 21 34 o -0.6237000     1.206000      90.19273      127.8  
1 1 1 31 21 35 o -0.9877000     1.204000      18.49681      58.3   
1 1 1 31 21 36 o -2.992000      1.412000      115.5916      -36.1  
1 1 1 31 21 37 o -0.6698000E-01 1.446000      74.40994      -44.0  
1 1 1 31 21 38 o -1.922000      1.549000      ?             ?      
1 1 1 31 21 39 o -2.927000      1.173000      ?             ?      
1 1 1 31 21 40 o -0.5619000     1.057000      ?             ?      
1 1 1 31 21 41 o 0.4145000      1.059000      ?             ?      
1 1 1 31 21 42 o 0.6481000      1.059000      ?             ?      
1 1 1 31 21 43 o -0.6763000     1.070000      ?             ?      
1 1 1 31 21 44 o -0.6705000     1.067000      ?             ?      
1 1 1 31 21 45 o -0.7528000     1.056000      ?             ?      
1 1 1 31 21 46 o -0.8070000     1.087000      ?             ?      
1 1 1 31 21 47 o -0.1540000     1.565000      ?             ?      
1 1 1 31 21 48 o 0.5596000      1.085000      ?             ?      
1 1 1 31 21 49 o 0.6698000      1.105000      ?             ?      
1 1 1 31 21 50 o 1.303000       1.096000      ?             ?      
1 1 1 31 21 51 o 0.2575000      1.104000      ?             ?      
1 1 1 31 21 52 o -0.8150000     1.131000      ?             ?      
1 1 1 31 21 53 o -0.9820000     1.327000      ?             ?      
1 1 1 31 21 54 o -1.361000      1.452000      ?             ?      
1 1 1 31 21 55 o -2.210000      1.500000      ?             ?      
1 1 1 31 21 56 o -0.9011000     1.770000      ?             ?      
1 1 1 31 21 57 o 0.5656000      1.209000      ?             ?      
1 1 1 31 21 58 o -2.033000      1.311000      ?             ?      
1 1 1 31 21 59 o -1.185000      1.393000      ?             ?      
1 1 1 31 22 0  o 0.1927000      1.340000      3.050680      -90.0  
1 1 1 31 22 1  o 0.9196000      1.068000      77.91438      39.3   
1 1 1 31 22 2  o -2.308000      1.038000      74.46007      -85.1  
1 1 1 31 22 3  o -0.6637000     1.049000      76.04475      70.7   
1 1 1 31 22 4  o -0.2341000     1.044000      22.30120      -92.4  
1 1 1 31 22 5  o -0.3068000     0.9677000     89.91225      -149.1 
1 1 1 31 22 6  o 0.2775000E-01  1.031000      152.5600      -71.8  
1 1 1 31 22 7  o -1.746000      1.166000      45.78153      -103.9 
1 1 1 31 22 8  o -1.467000      1.176000      44.15808      67.4   
1 1 1 31 22 9  o 1.088000       1.240000      52.46888      -12.6  
1 1 1 31 22 10 o -0.4434000     1.096000      95.77556      128.8  
1 1 1 31 22 11 o -2.289000      1.043000      70.76030      15.4   
1 1 1 31 22 12 o -0.4446000     1.066000      35.88745      -128.4 
1 1 1 31 22 13 o -0.5353000     1.053000      47.11146      -2.2   
1 1 1 31 22 14 o -0.4668000E-01 1.144000      43.49458      9.6    
1 1 1 31 22 15 o 1.006000       1.113000      78.14335      119.1  
1 1 1 31 22 16 o -0.8720000E-01 1.207000      62.31010      166.6  
1 1 1 31 22 17 o 0.1089000      1.201000      77.74252      151.9  
1 1 1 31 22 18 o 1.174000       1.219000      70.89792      11.6   
1 1 1 31 22 19 o -2.057000      1.182000      36.52794      23.5   
1 1 1 31 22 20 o 0.4010000      1.160000      21.24419      30.2   
1 1 1 31 22 21 o -0.8264000     1.189000      31.34074      73.3   
1 1 1 31 22 22 o -1.003000      1.495000      28.69987      165.6  
1 1 1 31 22 23 o -1.427000      1.518000      19.48721      97.5   
1 1 1 31 22 24 o -1.561000      1.199000      50.08170      -54.6  
1 1 1 31 22 25 o -0.6241000     1.170000      80.33132      -63.5  
1 1 1 31 22 26 o 0.8152000      1.200000      74.56741      -98.9  
1 1 1 31 22 27 o 0.5561000      1.285000      37.58247      165.6  
1 1 1 31 22 28 o -1.642000      1.159000      39.36627      80.0   
1 1 1 31 22 29 o -1.002000      1.147000      47.37434      -91.9  
1 1 1 31 22 30 o 0.4134000      1.151000      23.66959      30.1   
1 1 1 31 22 31 o -0.9655000     1.095000      21.24972      -49.9  
1 1 1 31 22 32 o 1.370000       1.109000      68.14220      -30.1  
1 1 1 31 22 33 o -1.202000      1.112000      25.34792      -107.5 
1 1 1 31 22 34 o -0.3322000     1.171000      93.96407      75.2   
1 1 1 31 22 35 o 1.080000       1.183000      7.668140      133.4  
1 1 1 31 22 36 o -0.6002000     1.260000      24.76865      66.7   
1 1 1 31 22 37 o -2.668000      1.629000      24.42830      88.1   
1 1 1 31 22 38 o 1.178000       1.548000      ?             ?      
1 1 1 31 22 39 o -1.562000      1.284000      ?             ?      
1 1 1 31 22 40 o 0.6069000      1.060000      ?             ?      
1 1 1 31 22 41 o -1.903000      1.037000      ?             ?      
1 1 1 31 22 42 o -0.1939000     1.041000      ?             ?      
1 1 1 31 22 43 o 0.1254000      1.043000      ?             ?      
1 1 1 31 22 44 o -0.3002000     1.034000      ?             ?      
1 1 1 31 22 45 o 0.6750000      1.040000      ?             ?      
1 1 1 31 22 46 o 1.125000       1.037000      ?             ?      
1 1 1 31 22 47 o -1.703000      1.073000      ?             ?      
1 1 1 31 22 48 o 0.2191000E-01  1.080000      ?             ?      
1 1 1 31 22 49 o 1.059000       1.106000      ?             ?      
1 1 1 31 22 50 o 0.8542000E-01  1.092000      ?             ?      
1 1 1 31 22 51 o -1.721000      1.178000      ?             ?      
1 1 1 31 22 52 o -0.3131000     1.132000      ?             ?      
1 1 1 31 22 53 o 0.1480000      1.321000      ?             ?      
1 1 1 31 22 54 o -1.223000      1.735000      ?             ?      
1 1 1 31 22 55 o 1.657000       1.943000      ?             ?      
1 1 1 31 22 56 o -0.3476000     1.466000      ?             ?      
1 1 1 31 22 57 o 0.9345000      1.656000      ?             ?      
1 1 1 31 22 58 o -2.220000      1.308000      ?             ?      
1 1 1 31 22 59 o 0.1867000E-01  1.955000      ?             ?      
1 1 1 31 23 0  o -0.4533000E-01 1.365000      130.6397      -90.0  
1 1 1 31 23 1  o -0.2074000     0.9751000     26.80186      -74.5  
1 1 1 31 23 2  o -2.579000      1.038000      73.95836      -100.3 
1 1 1 31 23 3  o -1.462000      1.038000      107.5038      -17.0  
1 1 1 31 23 4  o 1.148000       1.022000      61.80532      -74.9  
1 1 1 31 23 5  o -0.6056000     1.120000      86.58865      45.0   
1 1 1 31 23 6  o -1.154000      1.136000      42.63234      -81.4  
1 1 1 31 23 7  o 0.4082000E-01  1.181000      99.71472      -32.2  
1 1 1 31 23 8  o -0.9000000     1.239000      73.71196      37.4   
1 1 1 31 23 9  o -2.755000      1.203000      22.54034      -130.4 
1 1 1 31 23 10 o -2.724000      1.097000      106.6339      57.2   
1 1 1 31 23 11 o -0.2262000     1.273000      169.1062      35.3   
1 1 1 31 23 12 f -2.327000      1.140000      104.7299      46.2   
1 1 1 31 23 13 o 0.7723000      1.158000      47.47166      -155.5 
1 1 1 31 23 14 o -1.834000      1.144000      66.81457      -178.7 
1 1 1 31 23 15 o -0.7284000     1.137000      41.69975      -9.7   
1 1 1 31 23 16 o -0.3890000     1.125000      41.96800      -122.0 
1 1 1 31 23 17 o -1.557000      1.106000      98.28745      -144.0 
1 1 1 31 23 18 o -2.665000      1.174000      35.05125      175.2  
1 1 1 31 23 19 o -1.012000      1.189000      85.82985      -50.6  
1 1 1 31 23 20 o -2.061000      1.372000      145.1475      178.9  
1 1 1 31 23 21 o -0.4865000     1.370000      49.55028      -75.0  
1 1 1 31 23 22 o 0.2837000      1.547000      19.82548      -5.4   
1 1 1 31 23 23 o -2.316000      1.528000      79.64186      41.9   
1 1 1 31 23 24 o -2.799000      1.620000      42.74847      -4.8   
1 1 1 31 23 25 o -0.8948000     1.243000      60.26708      11.2   
1 1 1 31 23 26 o 0.3748000      1.278000      103.4988      55.2   
1 1 1 31 23 27 o -2.190000      1.285000      75.12128      -178.1 
1 1 1 31 23 28 o 0.5156000      1.166000      154.0584      67.3   
1 1 1 31 23 29 o 0.4814000      1.176000      135.8920      -72.0  
1 1 1 31 23 30 o 0.6507000      1.161000      82.95056      -141.7 
1 1 1 31 23 31 o -2.394000      1.108000      45.29951      44.7   
1 1 1 31 23 32 o -1.388000      1.095000      105.4765      -48.4  
1 1 1 31 23 33 o -0.2669000     1.090000      58.56644      110.4  
1 1 1 31 23 34 o 1.359000       1.105000      47.44966      166.2  
1 1 1 31 23 35 o 1.131000       1.233000      137.7043      8.4    
1 1 1 31 23 36 o -0.3163000     1.592000      101.8781      61.4   
1 1 1 31 23 37 o -1.491000      1.925000      ?             ?      
1 1 1 31 23 38 o -1.986000      1.297000      ?             ?      
1 1 1 31 23 39 o 0.6263000E-01  1.230000      ?             ?      
1 1 1 31 23 40 o 0.8300000      1.081000      ?             ?      
1 1 1 31 23 41 o 1.016000       1.029000      ?             ?      
1 1 1 31 23 42 o -0.6143000     1.021000      ?             ?      
1 1 1 31 23 43 o -1.249000      1.014000      ?             ?      
1 1 1 31 23 44 o -0.9138000     1.026000      ?             ?      
1 1 1 31 23 45 o -0.8048000     1.023000      ?             ?      
1 1 1 31 23 46 o 0.1340000      1.027000      ?             ?      
1 1 1 31 23 47 o 0.1435000      1.035000      ?             ?      
1 1 1 31 23 48 o 0.9726000E-01  1.054000      ?             ?      
1 1 1 31 23 49 o -1.638000      1.101000      ?             ?      
1 1 1 31 23 50 o -0.9827000     1.089000      ?             ?      
1 1 1 31 23 51 o 0.8322000      1.096000      ?             ?      
1 1 1 31 23 52 o 0.6391000E-01  1.118000      ?             ?      
1 1 1 31 23 53 o -0.2823000     1.484000      ?             ?      
1 1 1 31 23 54 o -0.4913000     1.603000      ?             ?      
1 1 1 31 23 55 o 0.2691000      1.464000      ?             ?      
1 1 1 31 23 56 o -0.8885000     1.333000      ?             ?      
1 1 1 31 23 57 o -0.8421000     1.287000      ?             ?      
1 1 1 31 23 58 o 0.8270000      1.321000      ?             ?      
1 1 1 31 24 0  o -0.1989000     1.360000      121.6411      -90.0  
1 1 1 31 24 1  o 1.188000       0.9646000     253.4118      20.1   
1 1 1 31 24 2  o -1.033000      1.055000      97.39732      172.8  
1 1 1 31 24 3  o 1.942000       1.071000      189.9693      125.7  
1 1 1 31 24 4  o -0.4855000     1.165000      39.25624      -96.1  
1 1 1 31 24 5  o 0.3755000      1.177000      147.9874      -85.7  
1 1 1 31 24 6  o 1.185000       1.346000      87.19638      118.0  
1 1 1 31 24 7  o 1.082000       1.188000      52.35815      6.2    
1 1 1 31 24 8  o 0.4448000      1.232000      65.04480      -76.8  
1 1 1 31 24 9  o -0.2485000E-02 1.089000      56.23351      87.0   
1 1 1 31 24 10 o -1.184000      1.040000      138.4675      30.5   
1 1 1 31 24 11 o -0.6013000     1.086000      95.69287      114.2  
1 1 1 31 24 12 o -0.4342000     1.062000      96.37193      -70.6  
1 1 1 31 24 13 o -1.449000      1.300000      82.82472      2.0    
1 1 1 31 24 14 o -1.466000      1.517000      110.3710      59.8   
1 1 1 31 24 15 o -1.301000      1.299000      60.49996      -175.1 
1 1 1 31 24 16 o 0.7442000      1.149000      68.04070      -71.6  
1 1 1 31 24 17 o -1.294000      1.132000      94.15323      45.5   
1 1 1 31 24 18 o -0.9558000E-01 1.210000      79.48041      -51.8  
1 1 1 31 24 19 o -2.919000      1.167000      102.8546      167.2  
1 1 1 31 24 20 o 2.889000       1.187000      128.7213      33.5   
1 1 1 31 24 21 o -0.8820000     1.176000      76.27276      99.3   
1 1 1 31 24 22 o -0.4414000     1.507000      73.67381      17.8   
1 1 1 31 24 23 o 0.1136000      2.163000      43.84536      -108.1 
1 1 1 31 24 24 o 0.5038000      2.210000      105.8163      155.4  
1 1 1 31 24 25 o -1.710000      1.614000      23.03114      172.7  
1 1 1 31 24 26 o -0.8389000     1.225000      83.34039      -154.9 
1 1 1 31 24 27 o 1.671000       1.383000      161.2020      -177.7 
1 1 1 31 24 28 o 3.946000       1.305000      115.0729      12.4   
1 1 1 31 24 29 o 0.7747000      1.167000      94.29675      17.1   
1 1 1 31 24 30 o 1.594000       1.163000      41.59472      18.5   
1 1 1 31 24 31 o -0.4000000     1.103000      60.55550      124.8  
1 1 1 31 24 32 o -0.8964000     1.098000      148.5132      61.3   
1 1 1 31 24 33 o 0.4163000      1.088000      42.71642      -48.0  
1 1 1 31 24 34 o 1.059000       1.133000      86.40761      105.1  
1 1 1 31 24 35 o -0.9235000     1.222000      20.98825      -81.9  
1 1 1 31 24 36 o 1.663000       1.546000      ?             ?      
1 1 1 31 24 37 o -1.819000      1.531000      ?             ?      
1 1 1 31 24 38 o 2.140000       1.381000      ?             ?      
1 1 1 31 24 39 o 0.1633000      1.195000      ?             ?      
1 1 1 31 24 40 o -0.7984000     1.183000      ?             ?      
1 1 1 31 24 41 o -1.702000      1.043000      ?             ?      
1 1 1 31 24 42 f 1.679000       1.024000      ?             ?      
1 1 1 31 24 43 o 0.8777000      1.007000      ?             ?      
1 1 1 31 24 44 o -0.8411000     1.011000      ?             ?      
1 1 1 31 24 45 o -1.452000      1.016000      ?             ?      
1 1 1 31 24 46 o 0.7493000      1.027000      ?             ?      
1 1 1 31 24 47 o 1.473000       1.038000      ?             ?      
1 1 1 31 24 48 o 0.4662000E-01  1.041000      ?             ?      
1 1 1 31 24 49 o 0.4914000      1.046000      ?             ?      
1 1 1 31 24 50 o -0.4761000E-01 1.079000      ?             ?      
1 1 1 31 24 51 o -0.2286000     1.094000      ?             ?      
1 1 1 31 24 52 o -2.118000      1.118000      ?             ?      
1 1 1 31 24 53 o 1.056000       1.301000      ?             ?      
1 1 1 31 24 54 o -2.383000      1.760000      ?             ?      
1 1 1 31 24 55 f -0.8078000     4.121000      ?             ?      
1 1 1 31 24 56 o -0.6172000     1.636000      ?             ?      
1 1 1 31 24 57 o -0.2826000     1.295000      ?             ?      
1 1 1 31 24 58 o 1.140000       1.502000      ?             ?      
1 1 1 31 25 0  o -0.1578000     1.337000      99.86935      -90.0  
1 1 1 31 25 1  o 0.6440000      0.9345000     126.6507      -55.1  
1 1 1 31 25 2  o 1.371000       1.059000      209.2701      -91.3  
1 1 1 31 25 3  o -0.4179000     1.136000      56.91612      82.0   
1 1 1 31 25 4  o -1.968000      1.157000      50.54645      91.2   
1 1 1 31 25 5  o -0.2290000     1.329000      154.7666      -63.4  
1 1 1 31 25 6  o 0.2720000      1.292000      45.50172      -95.7  
1 1 1 31 25 7  o 1.131000       1.383000      115.2470      -15.4  
1 1 1 31 25 8  o 1.948000       1.080000      125.1001      48.2   
1 1 1 31 25 9  o -0.6415000E-01 1.015000      91.63303      51.3   
1 1 1 31 25 10 o -0.4414000     1.069000      63.78776      97.5   
1 1 1 31 25 11 o 0.2209000      1.062000      115.7195      81.8   
1 1 1 31 25 12 o -1.003000      1.077000      58.67892      -100.5 
1 1 1 31 25 13 o -0.4203000     1.176000      58.03127      -101.3 
1 1 1 31 25 14 o 1.662000       1.191000      202.0449      95.0   
1 1 1 31 25 15 o -0.3831000     1.175000      129.2502      -43.0  
1 1 1 31 25 16 o 1.633000       1.314000      176.6023      -98.0  
1 1 1 31 25 17 o -0.2453000     1.281000      95.24109      95.0   
1 1 1 31 25 18 o -0.3245000     1.396000      45.37424      -19.7  
1 1 1 31 25 19 o 0.2806000      1.244000      73.61504      -130.0 
1 1 1 31 25 20 o 1.276000       1.246000      141.9179      136.6  
1 1 1 31 25 21 o 2.739000       1.211000      158.6131      54.5   
1 1 1 31 25 22 o -0.9925000     1.493000      79.82140      -54.1  
1 1 1 31 25 23 o 0.3086000      1.529000      89.63766      122.8  
1 1 1 31 25 24 o 2.370000       1.523000      145.9487      -99.6  
1 1 1 31 25 25 o 2.508000       1.475000      70.89783      2.9    
1 1 1 31 25 26 o 6.838000       2.527000      126.4733      14.7   
1 1 1 31 25 27 o 2.312000       1.407000      102.9375      141.3  
1 1 1 31 25 28 o 1.911000       1.162000      115.4231      84.4   
1 1 1 31 25 29 o 1.375000       1.277000      96.49948      -91.1  
1 1 1 31 25 30 o -0.7221000E-02 1.287000      97.82494      -179.7 
1 1 1 31 25 31 o 1.987000       1.300000      125.4748      17.7   
1 1 1 31 25 32 o 2.478000       1.095000      41.55055      160.9  
1 1 1 31 25 33 o -0.1117000     1.091000      106.5550      147.2  
1 1 1 31 25 34 o 0.6257000      1.130000      96.98435      63.3   
1 1 1 31 25 35 o 0.9853000      1.284000      ?             ?      
1 1 1 31 25 36 o 0.6658000      1.474000      ?             ?      
1 1 1 31 25 37 o 0.8414000      1.180000      ?             ?      
1 1 1 31 25 38 o 0.8013000      1.188000      ?             ?      
1 1 1 31 25 39 o 1.458000       1.175000      ?             ?      
1 1 1 31 25 40 o 1.779000       1.173000      ?             ?      
1 1 1 31 25 41 o 0.5427000      1.072000      ?             ?      
1 1 1 31 25 42 o -1.017000      1.021000      ?             ?      
1 1 1 31 25 43 o 0.1086000      1.016000      ?             ?      
1 1 1 31 25 44 o -0.6806000     1.014000      ?             ?      
1 1 1 31 25 45 o -0.3874000E-01 1.006000      ?             ?      
1 1 1 31 25 46 o -0.7099000     1.010000      ?             ?      
1 1 1 31 25 47 o -1.021000      1.021000      ?             ?      
1 1 1 31 25 48 o 0.4410000      1.042000      ?             ?      
1 1 1 31 25 49 o 0.3004000      1.048000      ?             ?      
1 1 1 31 25 50 o 1.149000       1.046000      ?             ?      
1 1 1 31 25 51 o -0.1997000     1.089000      ?             ?      
1 1 1 31 25 52 o -0.6920000     1.275000      ?             ?      
1 1 1 31 25 53 o -0.6814000     1.417000      ?             ?      
1 1 1 31 25 54 o 0.6732000      1.737000      ?             ?      
1 1 1 31 25 55 o -0.2379000     1.617000      ?             ?      
1 1 1 31 25 56 o -0.1844000     1.285000      ?             ?      
1 1 1 31 25 57 o 1.373000       1.302000      ?             ?      
1 1 1 31 26 0  o 1.269000       1.320000      52.12793      -90.0  
1 1 1 31 26 1  o -0.4741000     0.9074000     101.2227      49.8   
1 1 1 31 26 2  o 4.378000       1.157000      375.1616      162.3  
1 1 1 31 26 3  o -0.5013000     1.116000      124.6084      -94.0  
1 1 1 31 26 4  o 2.638000       1.297000      117.2108      -11.5  
1 1 1 31 26 5  o -1.720000      1.273000      67.09506      83.0   
1 1 1 31 26 6  o 1.798000       1.376000      134.5025      82.3   
1 1 1 31 26 7  o 1.173000       1.127000      188.3572      -52.6  
1 1 1 31 26 8  o 0.5866000      0.9983000     101.3733      105.4  
1 1 1 31 26 9  o 1.442000       1.025000      239.4341      -92.3  
1 1 1 31 26 10 o -1.603000      1.049000      80.21577      70.3   
1 1 1 31 26 11 f 1.196000       1.068000      74.64159      -94.6  
1 1 1 31 26 12 o 0.6943000      1.170000      119.7754      -140.4 
1 1 1 31 26 13 o 2.322000       1.156000      260.9339      119.6  
1 1 1 31 26 14 o 1.184000       1.164000      178.6396      52.5   
1 1 1 31 26 15 o -1.919000      1.071000      54.91742      -149.4 
1 1 1 31 26 16 o 0.6107000      1.187000      89.02087      -66.1  
1 1 1 31 26 17 o 2.298000       1.167000      148.2421      82.4   
1 1 1 31 26 18 o 1.125000       1.291000      168.1023      -159.4 
1 1 1 31 26 19 o -0.9221000     1.414000      34.95796      85.7   
1 1 1 31 26 20 o -0.4544000     1.408000      43.26217      37.6   
1 1 1 31 26 21 o 0.2868000E-01  1.285000      49.41524      3.9    
1 1 1 31 26 22 o 3.318000       1.549000      165.9489      -107.6 
1 1 1 31 26 23 o -2.282000      1.514000      55.58391      82.8   
1 1 1 31 26 24 o 2.112000       1.524000      165.6084      148.3  
1 1 1 31 26 25 o 0.6526000E-01  1.583000      72.09312      -88.4  
1 1 1 31 26 26 o 1.889000       1.600000      159.6972      -148.7 
1 1 1 31 26 27 o 2.889000       1.678000      83.52342      177.9  
1 1 1 31 26 28 o 0.7369000      1.173000      154.7238      39.5   
1 1 1 31 26 29 o -0.4168000     1.217000      148.9931      -47.6  
1 1 1 31 26 30 o -0.9333000     1.205000      64.82951      -147.2 
1 1 1 31 26 31 o 0.6203000      1.156000      40.53034      -112.7 
1 1 1 31 26 32 o 0.2270000      1.186000      186.4978      53.6   
1 1 1 31 26 33 o 2.251000       1.210000      139.3111      -121.8 
1 1 1 31 26 34 o 0.6683000      1.192000      ?             ?      
1 1 1 31 26 35 o -0.7334000     1.220000      ?             ?      
1 1 1 31 26 36 o 0.4185000      1.265000      ?             ?      
1 1 1 31 26 37 o 1.151000       1.163000      ?             ?      
1 1 1 31 26 38 o 1.960000       1.137000      ?             ?      
1 1 1 31 26 39 o 2.535000       1.434000      ?             ?      
1 1 1 31 26 40 o -1.419000      1.153000      ?             ?      
1 1 1 31 26 41 o -0.9824000E-01 1.133000      ?             ?      
1 1 1 31 26 42 o -0.3436000E-01 1.014000      ?             ?      
1 1 1 31 26 43 o -0.5494000     1.011000      ?             ?      
1 1 1 31 26 44 o 1.461000       1.011000      ?             ?      
1 1 1 31 26 45 o -1.065000      0.9961000     ?             ?      
1 1 1 31 26 46 o 1.597000       1.008000      ?             ?      
1 1 1 31 26 47 o 0.2281000      1.017000      ?             ?      
1 1 1 31 26 48 o -0.4727000     1.038000      ?             ?      
1 1 1 31 26 49 o -1.254000      1.034000      ?             ?      
1 1 1 31 26 50 o 0.7621000      1.124000      ?             ?      
1 1 1 31 26 51 o -1.065000      1.174000      ?             ?      
1 1 1 31 26 52 o -1.521000      1.454000      ?             ?      
1 1 1 31 26 53 o 1.533000       1.452000      ?             ?      
1 1 1 31 26 54 o 0.6872000      1.598000      ?             ?      
1 1 1 31 26 55 o 2.295000       1.385000      ?             ?      
1 1 1 31 26 56 o -0.2187000     1.307000      ?             ?      
1 1 1 31 27 0  o 5.289000       1.331000      382.6768      -90.0  
1 1 1 31 27 1  o 3.962000       0.9687000     314.2322      6.4    
1 1 1 31 27 2  o 1.367000       0.9856000     237.0525      156.9  
1 1 1 31 27 3  o 3.524000       1.300000      309.0072      -161.5 
1 1 1 31 27 4  o 0.8236000E-01  1.286000      73.39739      0.3    
1 1 1 31 27 5  f 3.290000       1.397000      220.9230      -84.8  
1 1 1 31 27 6  o -0.1815000     1.309000      113.4887      111.4  
1 1 1 31 27 7  o 0.1877000      1.042000      52.52927      -60.7  
1 1 1 31 27 8  o 5.095000       1.100000      309.9103      -3.5   
1 1 1 31 27 9  o 0.3773000      1.047000      101.0933      129.1  
1 1 1 31 27 10 o 3.155000       1.067000      202.0289      -60.0  
1 1 1 31 27 11 o 1.094000       1.070000      245.5327      -140.6 
1 1 1 31 27 12 o 0.6230000      1.175000      125.8403      -7.4   
1 1 1 31 27 13 o -0.4823000     1.151000      123.5166      -170.9 
1 1 1 31 27 14 o 0.1475000      1.156000      84.28989      140.8  
1 1 1 31 27 15 o 3.958000       1.080000      232.7610      -65.2  
1 1 1 31 27 16 o 1.154000       1.072000      150.8468      -143.3 
1 1 1 31 27 17 o -0.2446000E-01 1.174000      103.6785      20.3   
1 1 1 31 27 18 o 1.910000       1.268000      147.6483      -163.3 
1 1 1 31 27 19 o -1.547000      1.274000      66.45142      -25.2  
1 1 1 31 27 20 o -1.004000      1.285000      39.07473      162.4  
1 1 1 31 27 21 o -1.775000      1.311000      133.2542      -64.7  
1 1 1 31 27 22 o 0.2568000      2.172000      126.4490      -76.4  
1 1 1 31 27 23 o 1.816000       2.135000      65.23143      146.5  
1 1 1 31 27 24 o -0.7533000     1.550000      132.1870      -113.6 
1 1 1 31 27 25 o 0.3849000      1.534000      24.78658      136.4  
1 1 1 31 27 26 o 0.4507000      1.583000      94.34251      18.0   
1 1 1 31 27 27 o 5.849000       1.697000      279.1567      -167.2 
1 1 1 31 27 28 o 2.431000       1.381000      31.37430      -2.8   
1 1 1 31 27 29 o 1.159000       1.166000      56.34139      -16.5  
1 1 1 31 27 30 o -0.4404000     1.148000      105.7620      130.1  
1 1 1 31 27 31 o 0.2026000      1.152000      96.50253      150.4  
1 1 1 31 27 32 o 0.1246000      1.135000      122.0771      -33.4  
1 1 1 31 27 33 o 1.261000       1.182000      ?             ?      
1 1 1 31 27 34 o -0.1970000E-01 1.268000      ?             ?      
1 1 1 31 27 35 o 1.516000       1.218000      ?             ?      
1 1 1 31 27 36 o -1.641000      1.162000      ?             ?      
1 1 1 31 27 37 o 0.7848000      1.276000      ?             ?      
1 1 1 31 27 38 o -0.4073000     1.104000      ?             ?      
1 1 1 31 27 39 o -2.245000      1.100000      ?             ?      
1 1 1 31 27 40 o 0.6674000      1.160000      ?             ?      
1 1 1 31 27 41 o -0.1349000     1.122000      ?             ?      
1 1 1 31 27 42 o 0.4763000      1.132000      ?             ?      
1 1 1 31 27 43 o 1.588000       1.017000      ?             ?      
1 1 1 31 27 44 o -0.2634000E-01 1.001000      ?             ?      
1 1 1 31 27 45 o -1.038000      1.003000      ?             ?      
1 1 1 31 27 46 o 0.1169000      1.001000      ?             ?      
1 1 1 31 27 47 o 0.5000000      1.011000      ?             ?      
1 1 1 31 27 48 o 1.713000       1.111000      ?             ?      
1 1 1 31 27 49 o -0.9644000     1.142000      ?             ?      
1 1 1 31 27 50 o -0.5353000     1.119000      ?             ?      
1 1 1 31 27 51 o -0.5792000     1.084000      ?             ?      
1 1 1 31 27 52 o -0.5412000     1.303000      ?             ?      
1 1 1 31 27 53 o -1.327000      1.206000      ?             ?      
1 1 1 31 27 54 o 0.3325000E-01  1.210000      ?             ?      
1 1 1 31 27 55 o -0.4240000     1.380000      ?             ?      
1 1 1 31 27 56 o -1.674000      1.475000      ?             ?      
1 1 1 31 28 0  o -1.223000      1.408000      143.4675      -90.0  
1 1 1 31 28 1  o 1.656000       0.9732000     160.5532      -78.9  
1 1 1 31 28 2  o 0.1369000      1.039000      75.87304      156.8  
1 1 1 31 28 3  o 2.592000       1.294000      249.9838      -60.4  
1 1 1 31 28 4  o 2.324000       1.374000      237.1044      1.5    
1 1 1 31 28 5  o 1.051000       1.331000      98.04486      -168.5 
1 1 1 31 28 6  o 1.332000       1.069000      247.7794      28.7   
1 1 1 31 28 7  o 3.545000       1.085000      107.0034      -159.9 
1 1 1 31 28 8  o 3.210000       1.110000      103.2735      35.6   
1 1 1 31 28 9  o 5.287000       1.173000      316.6104      -14.3  
1 1 1 31 28 10 o -0.6801000E-01 1.097000      50.38801      -117.9 
1 1 1 31 28 11 o -0.7875000     1.152000      139.8909      48.2   
1 1 1 31 28 12 o 0.7136000      1.154000      110.5335      -130.1 
1 1 1 31 28 13 o 0.8625000E-01  1.168000      132.1922      129.9  
1 1 1 31 28 14 o 1.760000       1.088000      200.0316      -26.4  
1 1 1 31 28 15 o 2.360000       1.102000      160.3098      42.2   
1 1 1 31 28 16 o 3.429000       1.130000      275.4298      -130.4 
1 1 1 31 28 17 f 0.1125000      1.297000      57.63163      3.7    
1 1 1 31 28 18 o 0.5880000      1.283000      161.1502      -37.4  
1 1 1 31 28 19 o -3.754000      1.523000      220.0250      -74.3  
1 1 1 31 28 20 o 0.7206000      1.267000      144.5152      87.0   
1 1 1 31 28 21 o 0.8349000      1.315000      124.5971      -63.9  
1 1 1 31 28 22 o 1.820000       1.682000      169.1048      -150.5 
1 1 1 31 28 23 o 7.695000       1.751000      280.3507      4.1    
1 1 1 31 28 24 o 1.872000       1.689000      210.2351      -145.0 
1 1 1 31 28 25 o -1.103000      2.156000      167.6626      -86.7  
1 1 1 31 28 26 o 0.9069000      1.978000      171.4421      -59.9  
1 1 1 31 28 27 o 0.1809000      1.660000      170.9028      -3.4   
1 1 1 31 28 28 o 0.9043000      1.645000      124.6266      -67.9  
1 1 1 31 28 29 o 1.477000       1.349000      201.8727      -74.0  
1 1 1 31 28 30 o 1.767000       1.166000      75.92323      -86.5  
1 1 1 31 28 31 o 2.075000       1.163000      100.9227      23.0   
1 1 1 31 28 32 o -0.5190000     1.129000      ?             ?      
1 1 1 31 28 33 o 1.635000       1.201000      ?             ?      
1 1 1 31 28 34 o 2.158000       1.242000      ?             ?      
1 1 1 31 28 35 o 0.3247000      1.171000      ?             ?      
1 1 1 31 28 36 o -1.808000      1.065000      ?             ?      
1 1 1 31 28 37 o -0.7516000     1.029000      ?             ?      
1 1 1 31 28 38 o -1.576000      1.201000      ?             ?      
1 1 1 31 28 39 o 0.7320000      1.203000      ?             ?      
1 1 1 31 28 40 o -0.1084000     1.214000      ?             ?      
1 1 1 31 28 41 o 0.5363000E-01  1.131000      ?             ?      
1 1 1 31 28 42 o -0.4071000     1.140000      ?             ?      
1 1 1 31 28 43 o -0.7965000     1.015000      ?             ?      
1 1 1 31 28 44 o 0.9055000      0.9988000     ?             ?      
1 1 1 31 28 45 o 0.5711000      1.005000      ?             ?      
1 1 1 31 28 46 o -0.4824000     1.112000      ?             ?      
1 1 1 31 28 47 o 1.162000       1.138000      ?             ?      
1 1 1 31 28 48 o 0.7945000      1.094000      ?             ?      
1 1 1 31 28 49 o -1.266000      1.029000      ?             ?      
1 1 1 31 28 50 o -0.4364000     1.033000      ?             ?      
1 1 1 31 28 51 o -0.5431000     1.155000      ?             ?      
1 1 1 31 28 52 o -0.1721000E-01 1.269000      ?             ?      
1 1 1 31 28 53 o -0.3141000     1.136000      ?             ?      
1 1 1 31 28 54 o 0.7649000E-01  1.109000      ?             ?      
1 1 1 31 28 55 o 3.317000       1.471000      ?             ?      
1 1 1 31 29 0  o 7.697000       1.479000      379.2119      90.0   
1 1 1 31 29 1  o 7.270000       1.095000      368.3418      46.2   
1 1 1 31 29 2  o 0.2419000      1.025000      29.81425      -84.5  
1 1 1 31 29 3  o 2.904000       1.368000      286.0632      -165.8 
1 1 1 31 29 4  o 0.2378000      1.325000      179.5376      39.3   
1 1 1 31 29 5  o -0.4963000     1.155000      103.3737      -149.0 
1 1 1 31 29 6  o 0.4034000      1.061000      44.68824      24.9   
1 1 1 31 29 7  o 1.938000       1.095000      61.39262      133.1  
1 1 1 31 29 8  o 2.798000       1.117000      234.9133      15.3   
1 1 1 31 29 9  o 12.38000       1.315000      447.1609      151.4  
1 1 1 31 29 10 o 1.444000       1.150000      19.19740      91.1   
1 1 1 31 29 11 o 1.625000       1.164000      79.83620      -86.2  
1 1 1 31 29 12 o 4.306000       1.178000      244.2734      45.2   
1 1 1 31 29 13 o -0.3956000     1.175000      8.683736      -49.3  
1 1 1 31 29 14 o 1.051000       1.109000      172.3465      82.3   
1 1 1 31 29 15 o 2.018000       1.143000      147.8345      -13.9  
1 1 1 31 29 16 o 3.800000       1.164000      244.8391      138.4  
1 1 1 31 29 17 o 8.397000       1.403000      314.6092      3.2    
1 1 1 31 29 18 o 0.5610000      1.343000      93.61486      35.4   
1 1 1 31 29 19 o -0.1206000     1.325000      64.44771      86.0   
1 1 1 31 29 20 o -1.372000      1.307000      108.9449      -44.1  
1 1 1 31 29 21 o -1.055000      1.313000      109.4118      -64.2  
1 1 1 31 29 22 o 0.4396000      1.654000      215.9821      85.1   
1 1 1 31 29 23 o 3.042000       1.684000      141.8819      -34.9  
1 1 1 31 29 24 o 2.880000       1.703000      61.99555      115.6  
1 1 1 31 29 25 o 1.372000       1.699000      44.43114      -171.4 
1 1 1 31 29 26 o -0.5280000     1.724000      145.3326      26.8   
1 1 1 31 29 27 o -0.3079000     1.628000      129.2599      -75.2  
1 1 1 31 29 28 o 4.635000       2.122000      198.3327      5.7    
1 1 1 31 29 29 o -1.785000      1.499000      70.09598      -167.7 
1 1 1 31 29 30 o 0.1495000      1.361000      103.7625      165.2  
1 1 1 31 29 31 o -0.1394000     1.206000      ?             ?      
1 1 1 31 29 32 o 0.2137000      1.124000      ?             ?      
1 1 1 31 29 33 o 2.681000       1.234000      ?             ?      
1 1 1 31 29 34 o 3.583000       1.226000      ?             ?      
1 1 1 31 29 35 o 2.781000       1.088000      ?             ?      
1 1 1 31 29 36 o -1.031000      1.053000      ?             ?      
1 1 1 31 29 37 o 2.446000       1.022000      ?             ?      
1 1 1 31 29 38 o 1.116000       1.058000      ?             ?      
1 1 1 31 29 39 o 0.3807000      1.105000      ?             ?      
1 1 1 31 29 40 o -0.4827000     1.075000      ?             ?      
1 1 1 31 29 41 o 1.623000       1.250000      ?             ?      
1 1 1 31 29 42 o -0.2322000     1.210000      ?             ?      
1 1 1 31 29 43 o -0.6639000     1.219000      ?             ?      
1 1 1 31 29 44 o 0.5615000      1.129000      ?             ?      
1 1 1 31 29 45 o 0.4230000      1.041000      ?             ?      
1 1 1 31 29 46 o 0.5812000      1.088000      ?             ?      
1 1 1 31 29 47 o 2.353000       1.053000      ?             ?      
1 1 1 31 29 48 o 0.4425000      1.041000      ?             ?      
1 1 1 31 29 49 o 2.183000       1.041000      ?             ?      
1 1 1 31 29 50 o 0.1396000      1.072000      ?             ?      
1 1 1 31 29 51 o -2.255000      1.243000      ?             ?      
1 1 1 31 29 52 o 0.8086000      1.185000      ?             ?      
1 1 1 31 29 53 o -0.3548000     1.197000      ?             ?      
1 1 1 31 29 54 o 1.745000       1.319000      ?             ?      
1 1 1 31 29 55 o 1.941000       2.103000      ?             ?      
1 1 1 31 30 0  o -1.081000      1.493000      97.44225      -90.0  
1 1 1 31 30 1  o -0.3660000     1.034000      135.2907      -5.0   
1 1 1 31 30 2  o 0.2401000      1.030000      86.74983      47.6   
1 1 1 31 30 3  o 1.066000       1.361000      144.6898      -35.8  
1 1 1 31 30 4  o 6.330000       1.214000      442.9678      -64.4  
1 1 1 31 30 5  o 3.275000       1.095000      158.0176      93.1   
1 1 1 31 30 6  o 5.093000       1.109000      279.8708      -5.4   
1 1 1 31 30 7  o 0.9949000      1.090000      115.0713      139.0  
1 1 1 31 30 8  o 4.354000       1.183000      246.2184      -75.7  
1 1 1 31 30 9  o -0.2358000     1.171000      58.57382      56.9   
1 1 1 31 30 10 o -0.5280000     1.304000      149.3938      -145.6 
1 1 1 31 30 11 o -0.8219000     1.313000      47.81384      -90.5  
1 1 1 31 30 12 o 0.6964000      1.207000      111.3694      -156.9 
1 1 1 31 30 13 o 4.122000       1.143000      261.0606      133.0  
1 1 1 31 30 14 o 4.245000       1.166000      206.5682      172.2  
1 1 1 31 30 15 o 1.298000       1.161000      60.68674      158.4  
1 1 1 31 30 16 o 2.382000       1.173000      183.5758      -82.2  
1 1 1 31 30 17 o 0.4530000      1.390000      104.7765      -72.9  
1 1 1 31 30 18 o 2.024000       1.383000      161.5630      -171.9 
1 1 1 31 30 19 o 0.9098000      1.372000      141.3383      -156.3 
1 1 1 31 30 20 o 0.4878000      1.408000      245.8428      112.1  
1 1 1 31 30 21 o 2.978000       1.638000      188.5848      -131.0 
1 1 1 31 30 22 o -1.631000      1.669000      131.5826      -62.2  
1 1 1 31 30 23 o 2.100000       1.673000      150.8529      -38.8  
1 1 1 31 30 24 o 0.9597000      1.671000      29.76612      -146.1 
1 1 1 31 30 25 o 1.744000       1.690000      98.11314      33.7   
1 1 1 31 30 26 o 1.136000       1.703000      204.7916      31.4   
1 1 1 31 30 27 o 3.082000       1.766000      82.23185      -39.3  
1 1 1 31 30 28 o -1.731000      1.783000      143.4282      -16.3  
1 1 1 31 30 29 o 1.377000       1.437000      ?             ?      
1 1 1 31 30 30 o 0.4803000      1.351000      ?             ?      
1 1 1 31 30 31 o 1.545000       1.448000      ?             ?      
1 1 1 31 30 32 o -1.959000      1.251000      ?             ?      
1 1 1 31 30 33 o -0.4276000     1.179000      ?             ?      
1 1 1 31 30 34 o -0.4652000     1.140000      ?             ?      
1 1 1 31 30 35 o 0.8250000      1.063000      ?             ?      
1 1 1 31 30 36 o 0.3402000      1.018000      ?             ?      
1 1 1 31 30 37 o 1.052000       1.014000      ?             ?      
1 1 1 31 30 38 o 0.1247000      1.012000      ?             ?      
1 1 1 31 30 39 o 1.035000       1.075000      ?             ?      
1 1 1 31 30 40 o 0.4516000      1.072000      ?             ?      
1 1 1 31 30 41 o -0.2037000     1.108000      ?             ?      
1 1 1 31 30 42 o 0.4846000      1.224000      ?             ?      
1 1 1 31 30 43 o -0.7725000     1.219000      ?             ?      
1 1 1 31 30 44 o 1.074000       1.229000      ?             ?      
1 1 1 31 30 45 o -1.317000      1.072000      ?             ?      
1 1 1 31 30 46 o 0.9018000      1.092000      ?             ?      
1 1 1 31 30 47 o 2.292000       1.053000      ?             ?      
1 1 1 31 30 48 o 3.245000       1.071000      ?             ?      
1 1 1 31 30 49 o 1.322000       1.104000      ?             ?      
1 1 1 31 30 50 o 0.2936000      1.155000      ?             ?      
1 1 1 31 30 51 o 0.6034000      1.470000      ?             ?      
1 1 1 31 30 52 o 2.846000       1.449000      ?             ?      
1 1 1 31 30 53 o -0.4904000     1.317000      ?             ?      
1 1 1 31 30 54 o -1.009000      1.150000      ?             ?      
1 1 1 31 31 0  o 18.81000       1.774000      642.3071      90.0   
1 1 1 31 31 1  o -0.9904000E-02 1.095000      57.69993      -10.5  
1 1 1 31 31 2  o 2.018000       1.096000      209.4984      58.2   
1 1 1 31 31 3  o -0.5833000     1.238000      133.9096      -139.7 
1 1 1 31 31 4  o 0.9939000      1.198000      187.0406      51.9   
1 1 1 31 31 5  o 0.9433000      1.140000      132.7282      85.8   
1 1 1 31 31 6  o -1.322000      1.092000      117.3809      140.3  
1 1 1 31 31 7  o 3.195000       1.122000      240.8342      51.9   
1 1 1 31 31 8  o -1.086000      1.172000      108.0239      -89.1  
1 1 1 31 31 9  o 0.4355000      1.227000      229.0350      -62.4  
1 1 1 31 31 10 o -0.6699000     1.382000      120.3084      -38.2  
1 1 1 31 31 11 o 0.5199000      1.349000      72.39671      -131.9 
1 1 1 31 31 12 o 3.389000       1.388000      248.6468      34.5   
1 1 1 31 31 13 o 2.527000       1.139000      203.5435      -73.0  
1 1 1 31 31 14 o 2.090000       1.160000      114.6373      149.3  
1 1 1 31 31 15 o 1.408000       1.148000      101.1411      -88.5  
1 1 1 31 31 16 o 3.369000       1.193000      235.3509      37.5   
1 1 1 31 31 17 o 4.942000       1.430000      189.7853      -19.4  
1 1 1 31 31 18 o -0.7672000     1.399000      78.09678      -86.5  
1 1 1 31 31 19 o 1.306000       1.425000      64.52006      162.8  
1 1 1 31 31 20 o 3.208000       1.688000      79.97540      -47.6  
1 1 1 31 31 21 o 3.509000       1.736000      207.5921      90.8   
1 1 1 31 31 22 o 5.300000       1.736000      204.0062      32.5   
1 1 1 31 31 23 o 3.448000       1.701000      190.2301      15.6   
1 1 1 31 31 24 o 2.286000       1.711000      192.0018      126.1  
1 1 1 31 31 25 o -0.8814000     1.675000      82.33169      159.3  
1 1 1 31 31 26 o 1.262000       1.714000      145.0633      27.7   
1 1 1 31 31 27 o 1.348000       1.704000      122.3568      -26.8  
1 1 1 31 31 28 o -0.1045000     1.772000      ?             ?      
1 1 1 31 31 29 o -0.2379000     1.390000      ?             ?      
1 1 1 31 31 30 o 0.9496000      1.492000      ?             ?      
1 1 1 31 31 31 o 3.237000       1.514000      ?             ?      
1 1 1 31 31 32 o 0.4812000      1.301000      ?             ?      
1 1 1 31 31 33 o -1.429000      1.178000      ?             ?      
1 1 1 31 31 34 o 0.6662000      1.110000      ?             ?      
1 1 1 31 31 35 o -1.909000      1.107000      ?             ?      
1 1 1 31 31 36 o -1.030000      1.011000      ?             ?      
1 1 1 31 31 37 o 2.453000       1.018000      ?             ?      
1 1 1 31 31 38 o 1.745000       1.000000      ?             ?      
1 1 1 31 31 39 o -0.8399000     1.147000      ?             ?      
1 1 1 31 31 40 o 2.138000       1.271000      ?             ?      
1 1 1 31 31 41 o -1.481000      1.134000      ?             ?      
1 1 1 31 31 42 o -0.2758000     1.205000      ?             ?      
1 1 1 31 31 43 o 2.478000       1.173000      ?             ?      
1 1 1 31 31 44 o 1.681000       1.237000      ?             ?      
1 1 1 31 31 45 o 0.2124000      1.084000      ?             ?      
1 1 1 31 31 46 o 0.5779000      1.043000      ?             ?      
1 1 1 31 31 47 o 1.155000       1.039000      ?             ?      
1 1 1 31 31 48 o -0.2024000     1.110000      ?             ?      
1 1 1 31 31 49 o 1.633000       1.304000      ?             ?      
1 1 1 31 31 50 o 0.2444000      1.430000      ?             ?      
1 1 1 31 31 51 o -0.4372000     1.162000      ?             ?      
1 1 1 31 31 52 o 1.111000       1.124000      ?             ?      
1 1 1 31 31 53 o 0.9966000      1.136000      ?             ?      
1 1 1 31 32 0  o -0.4550000     1.554000      222.8020      90.0   
1 1 1 31 32 1  o 4.929000       1.269000      349.1951      91.8   
1 1 1 31 32 2  o 0.2767000      1.207000      146.0371      21.8   
1 1 1 31 32 3  o 1.201000       1.121000      101.7480      -125.2 
1 1 1 31 32 4  o 2.860000       1.136000      307.9416      -71.6  
1 1 1 31 32 5  o 4.833000       1.192000      412.4168      136.6  
1 1 1 31 32 6  o 5.648000       1.197000      363.7678      66.1   
1 1 1 31 32 7  o -0.1723000     1.217000      95.91699      -1.5   
1 1 1 31 32 8  o -2.487000      1.226000      55.07444      65.7   
1 1 1 31 32 9  o 6.492000       1.318000      263.1709      29.5   
1 1 1 31 32 10 o 1.916000       1.421000      140.1300      -23.1  
1 1 1 31 32 11 o -1.465000      1.384000      23.61147      153.4  
1 1 1 31 32 12 o 1.018000       1.289000      56.55169      105.2  
1 1 1 31 32 13 o 5.896000       1.318000      279.1943      140.8  
1 1 1 31 32 14 o 2.169000       1.173000      110.2829      -117.6 
1 1 1 31 32 15 o 3.048000       1.174000      147.7717      -6.5   
1 1 1 31 32 16 o 2.862000       1.187000      141.7839      -10.1  
1 1 1 31 32 17 o 1.335000       1.435000      145.7111      -146.6 
1 1 1 31 32 18 o 4.229000       1.472000      375.9732      -129.8 
1 1 1 31 32 19 o 0.1204000      1.446000      54.79107      -55.9  
1 1 1 31 32 20 o 5.262000       1.747000      193.0135      136.1  
1 1 1 31 32 21 o 2.531000       1.732000      114.1539      -108.2 
1 1 1 31 32 22 o 0.6240000E-01  1.718000      132.8134      134.5  
1 1 1 31 32 23 o -0.6002000     1.670000      29.76459      80.5   
1 1 1 31 32 24 o -2.455000      1.643000      11.74765      -18.1  
1 1 1 31 32 25 o 0.5223000      1.674000      171.1451      59.7   
1 1 1 31 32 26 o -0.4801000     1.659000      ?             ?      
1 1 1 31 32 27 o 0.9414000      1.754000      ?             ?      
1 1 1 31 32 28 o 0.8895000      1.766000      ?             ?      
1 1 1 31 32 29 o 0.1873000      1.431000      ?             ?      
1 1 1 31 32 30 o -2.889000      1.505000      ?             ?      
1 1 1 31 32 31 o -0.3828000E-01 1.506000      ?             ?      
1 1 1 31 32 32 o 1.780000       1.300000      ?             ?      
1 1 1 31 32 33 o 0.2230000      1.352000      ?             ?      
1 1 1 31 32 34 o 1.177000       1.149000      ?             ?      
1 1 1 31 32 35 o -0.2933000     1.040000      ?             ?      
1 1 1 31 32 36 o -0.4688000     0.9994000     ?             ?      
1 1 1 31 32 37 o 2.480000       1.307000      ?             ?      
1 1 1 31 32 38 o 1.011000       1.306000      ?             ?      
1 1 1 31 32 39 o 1.653000       1.146000      ?             ?      
1 1 1 31 32 40 o 0.9721000      1.067000      ?             ?      
1 1 1 31 32 41 o 0.7561000      1.082000      ?             ?      
1 1 1 31 32 42 o 1.782000       1.103000      ?             ?      
1 1 1 31 32 43 o -0.3127000     1.230000      ?             ?      
1 1 1 31 32 44 o 1.328000       1.185000      ?             ?      
1 1 1 31 32 45 o 0.9955000      1.177000      ?             ?      
1 1 1 31 32 46 o 1.035000       1.043000      ?             ?      
1 1 1 31 32 47 o 1.032000       1.123000      ?             ?      
1 1 1 31 32 48 o 1.087000       1.475000      ?             ?      
1 1 1 31 32 49 o -2.461000      1.207000      ?             ?      
1 1 1 31 32 50 o 0.7585000      1.252000      ?             ?      
1 1 1 31 32 51 o 0.3324000      1.194000      ?             ?      
1 1 1 31 32 52 o 0.2376000      1.250000      ?             ?      
1 1 1 31 33 0  o 7.210000       2.104000      354.0464      90.0   
1 1 1 31 33 1  o 1.881000       1.293000      289.9973      -167.0 
1 1 1 31 33 2  o -0.5293000     1.209000      250.7942      -104.7 
1 1 1 31 33 3  o 0.4894000      1.191000      80.94633      -40.0  
1 1 1 31 33 4  o -0.9488000     1.160000      93.43823      -170.2 
1 1 1 31 33 5  o 3.351000       1.185000      309.7586      120.9  
1 1 1 31 33 6  o 0.9713000      1.209000      155.0443      169.5  
1 1 1 31 33 7  o 3.005000       1.279000      182.5762      171.1  
1 1 1 31 33 8  o 2.744000       1.303000      316.8400      -83.2  
1 1 1 31 33 9  o 3.030000       1.502000      232.8122      -70.1  
1 1 1 31 33 10 o 4.385000       1.461000      207.8685      98.2   
1 1 1 31 33 11 o -0.6383000     1.438000      44.44175      179.6  
1 1 1 31 33 12 o 2.440000       1.304000      140.5762      -65.0  
1 1 1 31 33 13 o 3.672000       1.323000      301.4942      -115.0 
1 1 1 31 33 14 o -0.3471000     1.299000      149.5421      164.2  
1 1 1 31 33 15 o 0.6784000      1.188000      96.10826      24.5   
1 1 1 31 33 16 o 4.141000       1.237000      317.3081      1.1    
1 1 1 31 33 17 o -0.4490000E-01 1.462000      153.7312      33.3   
1 1 1 31 33 18 o 3.068000       1.493000      326.5041      55.1   
1 1 1 31 33 19 o 0.4521000      1.715000      45.98752      -80.6  
1 1 1 31 33 20 o -1.349000      1.726000      143.0091      -17.3  
1 1 1 31 33 21 o -0.3009000     1.711000      78.22105      -175.6 
1 1 1 31 33 22 o 1.069000       1.700000      147.6655      37.9   
1 1 1 31 33 23 o 2.152000       1.708000      155.7075      48.7   
1 1 1 31 33 24 o 0.2086000      1.676000      160.6336      158.3  
1 1 1 31 33 25 o -0.3042000     1.666000      ?             ?      
1 1 1 31 33 26 o 3.179000       1.696000      ?             ?      
1 1 1 31 33 27 o 4.070000       1.738000      ?             ?      
1 1 1 31 33 28 o -0.5641000     1.739000      ?             ?      
1 1 1 31 33 29 o 1.059000       1.649000      ?             ?      
1 1 1 31 33 30 o 1.364000       1.566000      ?             ?      
1 1 1 31 33 31 o 2.634000       1.515000      ?             ?      
1 1 1 31 33 32 o -1.060000      1.267000      ?             ?      
1 1 1 31 33 33 o 3.116000       1.355000      ?             ?      
1 1 1 31 33 34 o -0.4531000     1.313000      ?             ?      
1 1 1 31 33 35 o -0.3255000     1.192000      ?             ?      
1 1 1 31 33 36 o 0.6284000      1.065000      ?             ?      
1 1 1 31 33 37 o 0.4269000      1.140000      ?             ?      
1 1 1 31 33 38 o -1.489000      1.043000      ?             ?      
1 1 1 31 33 39 o 0.4250000      0.9964000     ?             ?      
1 1 1 31 33 40 o 2.477000       1.016000      ?             ?      
1 1 1 31 33 41 o -0.1976000     1.110000      ?             ?      
1 1 1 31 33 42 o -1.171000      1.097000      ?             ?      
1 1 1 31 33 43 o 0.4674000      1.069000      ?             ?      
1 1 1 31 33 44 o 1.129000       1.456000      ?             ?      
1 1 1 31 33 45 o 3.295000       1.760000      ?             ?      
1 1 1 31 33 46 o -0.5653000     1.661000      ?             ?      
1 1 1 31 33 47 o -1.090000      1.489000      ?             ?      
1 1 1 31 33 48 o 0.3686000      1.064000      ?             ?      
1 1 1 31 33 49 o -1.191000      1.193000      ?             ?      
1 1 1 31 33 50 o 1.215000       1.109000      ?             ?      
1 1 1 31 33 51 o 0.1994000      1.106000      ?             ?      
1 1 1 31 34 0  o -1.625000      2.007000      78.08260      90.0   
1 1 1 31 34 1  o -0.4457000     1.363000      75.85965      110.9  
1 1 1 31 34 2  o -0.4050000     1.212000      168.9937      -50.0  
1 1 1 31 34 3  o 1.072000       1.213000      139.0190      -89.8  
1 1 1 31 34 4  o 1.348000       1.193000      252.9566      -166.5 
1 1 1 31 34 5  o 2.446000       1.202000      252.0924      98.9   
1 1 1 31 34 6  o 6.685000       1.274000      311.6208      -0.7   
1 1 1 31 34 7  f 7.138000       1.350000      379.1657      -53.4  
1 1 1 31 34 8  o 0.3059000      1.320000      43.69579      -142.7 
1 1 1 31 34 9  o 3.638000       1.504000      339.7829      39.0   
1 1 1 31 34 10 o 0.3513000E-01  1.466000      71.73823      -132.4 
1 1 1 31 34 11 o -0.3546000E-01 1.437000      121.4750      60.3   
1 1 1 31 34 12 o 2.925000       1.294000      281.4999      -44.5  
1 1 1 31 34 13 o 2.225000       1.287000      53.34254      -148.0 
1 1 1 31 34 14 o 2.094000       1.290000      96.84604      -19.9  
1 1 1 31 34 15 o -0.1526000     1.278000      73.58648      122.9  
1 1 1 31 34 16 o 0.8214000      1.197000      205.8649      -170.6 
1 1 1 31 34 17 o 3.720000       1.719000      228.5996      178.0  
1 1 1 31 34 18 o -0.2169000     1.699000      74.12706      98.8   
1 1 1 31 34 19 o -0.4438000     1.706000      143.4543      58.1   
1 1 1 31 34 20 o 2.123000       1.728000      119.3831      -156.7 
1 1 1 31 34 21 o 1.282000       1.706000      164.9449      27.2   
1 1 1 31 34 22 o 1.089000       1.683000      165.2233      -155.2 
1 1 1 31 34 23 o -0.9772000     1.669000      ?             ?      
1 1 1 31 34 24 o 0.7904000      1.670000      ?             ?      
1 1 1 31 34 25 o 1.547000       1.687000      ?             ?      
1 1 1 31 34 26 o -0.6029000E-01 1.737000      ?             ?      
1 1 1 31 34 27 o -0.8750000     1.703000      ?             ?      
1 1 1 31 34 28 o -0.9349000     2.304000      ?             ?      
1 1 1 31 34 29 o 1.386000       1.615000      ?             ?      
1 1 1 31 34 30 o -0.4199000     1.401000      ?             ?      
1 1 1 31 34 31 o -2.405000      1.472000      ?             ?      
1 1 1 31 34 32 o 0.4383000      1.421000      ?             ?      
1 1 1 31 34 33 o 0.1746000      1.200000      ?             ?      
1 1 1 31 34 34 o -1.703000      1.206000      ?             ?      
1 1 1 31 34 35 o 0.4462000      1.173000      ?             ?      
1 1 1 31 34 36 o 0.1252000      1.208000      ?             ?      
1 1 1 31 34 37 o 0.7220000      0.9845000     ?             ?      
1 1 1 31 34 38 o 0.1744000      0.9769000     ?             ?      
1 1 1 31 34 39 o 0.7079000      0.9894000     ?             ?      
1 1 1 31 34 40 o 0.4097000      1.051000      ?             ?      
1 1 1 31 34 41 o 0.8380000      1.089000      ?             ?      
1 1 1 31 34 42 o -2.095000      1.199000      ?             ?      
1 1 1 31 34 43 o 0.4594000      1.319000      ?             ?      
1 1 1 31 34 44 o -0.5758000     1.334000      ?             ?      
1 1 1 31 34 45 o -0.8262000     1.296000      ?             ?      
1 1 1 31 34 46 o 0.7850000      1.207000      ?             ?      
1 1 1 31 34 47 o -2.234000      1.282000      ?             ?      
1 1 1 31 34 48 f 1.168000       1.242000      ?             ?      
1 1 1 31 34 49 o 0.3705000      1.209000      ?             ?      
1 1 1 31 34 50 o 0.2690000      1.100000      ?             ?      
1 1 1 31 34 51 o 0.7993000      1.377000      ?             ?      
1 1 1 31 35 0  o 0.2220000      1.845000      122.9358      -90.0  
1 1 1 31 35 1  o 2.090000       1.309000      93.13451      -37.2  
1 1 1 31 35 2  o -0.9028000     1.337000      101.7191      -75.5  
1 1 1 31 35 3  o -0.3138000     1.089000      56.25024      86.5   
1 1 1 31 35 4  o -0.8740000E-01 1.198000      100.6025      106.6  
1 1 1 31 35 5  o 1.778000       1.239000      226.7765      61.0   
1 1 1 31 35 6  o -1.525000      1.295000      80.21624      178.6  
1 1 1 31 35 7  o 0.6433000      1.290000      151.6979      -55.4  
1 1 1 31 35 8  f 5.452000       1.503000      246.9831      -22.2  
1 1 1 31 35 9  o 3.191000       1.454000      143.7156      -156.5 
1 1 1 31 35 10 o 4.478000       1.477000      219.7030      131.0  
1 1 1 31 35 11 o 0.3200000      1.269000      21.79090      -45.8  
1 1 1 31 35 12 o -2.006000      1.254000      24.17558      -19.8  
1 1 1 31 35 13 o -0.8568000     1.257000      42.30231      95.8   
1 1 1 31 35 14 o 0.4110000      1.272000      37.27992      -50.0  
1 1 1 31 35 15 o -2.162000      1.254000      128.7352      -69.5  
1 1 1 31 35 16 o -2.006000      1.425000      116.7835      -44.1  
1 1 1 31 35 17 o 3.895000       1.735000      237.4615      124.1  
1 1 1 31 35 18 o 1.913000       1.690000      130.0485      86.3   
1 1 1 31 35 19 o 0.6126000      1.701000      141.1434      -93.0  
1 1 1 31 35 20 o 3.752000       1.738000      ?             ?      
1 1 1 31 35 21 o 1.907000       1.695000      ?             ?      
1 1 1 31 35 22 o -1.242000      1.681000      ?             ?      
1 1 1 31 35 23 o 1.533000       1.677000      ?             ?      
1 1 1 31 35 24 o -1.120000      1.722000      ?             ?      
1 1 1 31 35 25 o 1.060000       1.710000      ?             ?      
1 1 1 31 35 26 o 3.403000       1.691000      ?             ?      
1 1 1 31 35 27 o -1.965000      1.720000      ?             ?      
1 1 1 31 35 28 o -0.2097000     2.208000      ?             ?      
1 1 1 31 35 29 o -3.218000      2.237000      ?             ?      
1 1 1 31 35 30 o -0.3513000     1.461000      ?             ?      
1 1 1 31 35 31 o 0.2900000      1.550000      ?             ?      
1 1 1 31 35 32 o -0.4714000     1.657000      ?             ?      
1 1 1 31 35 33 o -0.8747000     1.374000      ?             ?      
1 1 1 31 35 34 o -1.057000      1.158000      ?             ?      
1 1 1 31 35 35 o 1.863000       1.177000      ?             ?      
1 1 1 31 35 36 o -1.237000      1.154000      ?             ?      
1 1 1 31 35 37 o 0.5515000      1.206000      ?             ?      
1 1 1 31 35 38 o -0.2190000     0.9930000     ?             ?      
1 1 1 31 35 39 o -0.1194000     0.9813000     ?             ?      
1 1 1 31 35 40 o 1.215000       1.067000      ?             ?      
1 1 1 31 35 41 o 0.7042000      1.120000      ?             ?      
1 1 1 31 35 42 o 0.4163000      1.127000      ?             ?      
1 1 1 31 35 43 o -0.6705000     1.153000      ?             ?      
1 1 1 31 35 44 o -1.998000      1.162000      ?             ?      
1 1 1 31 35 45 o 0.4961000      1.255000      ?             ?      
1 1 1 31 35 46 o 1.320000       1.304000      ?             ?      
1 1 1 31 35 47 o 0.9683000      1.305000      ?             ?      
1 1 1 31 35 48 o -1.286000      1.255000      ?             ?      
1 1 1 31 35 49 o 0.3864000      1.104000      ?             ?      
1 1 1 31 35 50 o -2.440000      1.414000      ?             ?      
1 1 1 31 36 0  o -2.248000      1.683000      64.42989      90.0   
1 1 1 31 36 1  o 0.4000000      1.262000      122.3157      -80.9  
1 1 1 31 36 2  o 0.1489000      1.350000      69.28590      3.9    
1 1 1 31 36 3  o 1.603000       1.248000      178.3505      -178.9 
1 1 1 31 36 4  o 1.718000       1.294000      244.8394      151.8  
1 1 1 31 36 5  o 1.803000       1.255000      235.6548      103.8  
1 1 1 31 36 6  o 1.630000       1.358000      109.2211      81.2   
1 1 1 31 36 7  o 0.1390000      1.314000      145.7763      -16.1  
1 1 1 31 36 8  o 1.970000       1.481000      176.7264      -22.9  
1 1 1 31 36 9  o -0.2723000E-01 1.418000      76.27424      93.7   
1 1 1 31 36 10 o 0.4339000      1.447000      210.7086      -127.7 
1 1 1 31 36 11 o 0.3546000      1.252000      80.43388      -33.8  
1 1 1 31 36 12 o 1.853000       1.240000      85.25519      -52.5  
1 1 1 31 36 13 o 0.4186000      1.253000      134.6720      93.8   
1 1 1 31 36 14 o -0.4529000     1.250000      51.08062      -6.6   
1 1 1 31 36 15 o 0.5603000E-01  1.255000      135.7001      -128.9 
1 1 1 31 36 16 o 1.286000       1.420000      145.2276      -122.9 
1 1 1 31 36 17 o 2.592000       1.730000      166.0283      84.4   
1 1 1 31 36 18 o 0.6250000      1.677000      ?             ?      
1 1 1 31 36 19 o -0.5503000     1.638000      ?             ?      
1 1 1 31 36 20 o -0.1930000     1.673000      ?             ?      
1 1 1 31 36 21 o -0.1543000E-01 1.645000      ?             ?      
1 1 1 31 36 22 o 4.447000       1.676000      ?             ?      
1 1 1 31 36 23 o -2.806000      1.670000      ?             ?      
1 1 1 31 36 24 o -0.7392000     1.685000      ?             ?      
1 1 1 31 36 25 o 2.238000       1.659000      ?             ?      
1 1 1 31 36 26 o 0.4863000      1.650000      ?             ?      
1 1 1 31 36 27 o -1.433000      2.162000      ?             ?      
1 1 1 31 36 28 o -0.3543000     2.222000      ?             ?      
1 1 1 31 36 29 o -0.4894000     1.807000      ?             ?      
1 1 1 31 36 30 o 1.750000       2.076000      ?             ?      
1 1 1 31 36 31 o -0.7532000     1.514000      ?             ?      
1 1 1 31 36 32 o -0.4334000     1.444000      ?             ?      
1 1 1 31 36 33 o 0.9193000      1.231000      ?             ?      
1 1 1 31 36 34 o 0.4111000      1.183000      ?             ?      
1 1 1 31 36 35 o 0.1211000      1.177000      ?             ?      
1 1 1 31 36 36 o 0.1443000      1.232000      ?             ?      
1 1 1 31 36 37 o 1.203000       1.243000      ?             ?      
1 1 1 31 36 38 o -1.199000      1.189000      ?             ?      
1 1 1 31 36 39 o -1.105000      1.137000      ?             ?      
1 1 1 31 36 40 o -1.720000      0.9956000     ?             ?      
1 1 1 31 36 41 o 0.4747000      1.019000      ?             ?      
1 1 1 31 36 42 o -1.922000      1.008000      ?             ?      
1 1 1 31 36 43 o 0.5983000      1.077000      ?             ?      
1 1 1 31 36 44 o -1.198000      1.446000      ?             ?      
1 1 1 31 36 45 o -0.9375000     1.090000      ?             ?      
1 1 1 31 36 46 o 2.456000       1.527000      ?             ?      
1 1 1 31 36 47 o -1.879000      1.445000      ?             ?      
1 1 1 31 36 48 o -0.3368000     1.426000      ?             ?      
1 1 1 31 36 49 o 0.3674000      1.355000      ?             ?      
1 1 1 31 37 0  o -2.005000      1.674000      27.03924      90.0   
1 1 1 31 37 1  o 1.185000       1.208000      108.8716      74.4   
1 1 1 31 37 2  o 0.2267000E-02  1.200000      31.77308      -76.1  
1 1 1 31 37 3  o 2.295000       1.260000      232.1271      -50.2  
1 1 1 31 37 4  o -1.212000      1.286000      171.6691      -119.8 
1 1 1 31 37 5  o -1.006000      1.305000      35.54442      -98.3  
1 1 1 31 37 6  o -1.154000      1.312000      14.91859      142.3  
1 1 1 31 37 7  o 0.4591000      1.484000      115.5821      61.6   
1 1 1 31 37 8  o -1.873000      1.451000      98.11988      64.9   
1 1 1 31 37 9  o -0.3352000E-01 1.411000      124.4943      -97.0  
1 1 1 31 37 10 o -1.520000      1.250000      11.28000      -39.3  
1 1 1 31 37 11 o 3.185000       1.266000      131.6921      79.6   
1 1 1 31 37 12 o -0.7484000     1.243000      79.49828      97.7   
1 1 1 31 37 13 o 1.288000       1.252000      83.90711      157.8  
1 1 1 31 37 14 o 0.7888000E-01  1.240000      75.19302      22.6   
1 1 1 31 37 15 o -1.598000      1.232000      ?             ?      
1 1 1 31 37 16 o 1.023000       1.417000      ?             ?      
1 1 1 31 37 17 o 3.103000       1.448000      ?             ?      
1 1 1 31 37 18 o 2.284000       1.660000      ?             ?      
1 1 1 31 37 19 o -1.254000      1.610000      ?             ?      
1 1 1 31 37 20 o 0.3839000      1.613000      ?             ?      
1 1 1 31 37 21 o -0.9924000     1.592000      ?             ?      
1 1 1 31 37 22 o -0.3944000     1.646000      ?             ?      
1 1 1 31 37 23 o 0.5711000      1.657000      ?             ?      
1 1 1 31 37 24 o 0.2122000      1.629000      ?             ?      
1 1 1 31 37 25 o 0.4710000E-02  1.604000      ?             ?      
1 1 1 31 37 26 o 2.072000       2.204000      ?             ?      
1 1 1 31 37 27 o -4.003000      2.228000      ?             ?      
1 1 1 31 37 28 o -1.319000      1.749000      ?             ?      
1 1 1 31 37 29 o 1.215000       1.369000      ?             ?      
1 1 1 31 37 30 o -0.1444000     1.362000      ?             ?      
1 1 1 31 37 31 o 0.2205000      1.482000      ?             ?      
1 1 1 31 37 32 o -2.238000      1.430000      ?             ?      
1 1 1 31 37 33 o 0.2011000      1.240000      ?             ?      
1 1 1 31 37 34 o -0.3621000     1.249000      ?             ?      
1 1 1 31 37 35 o -0.1078000     1.270000      ?             ?      
1 1 1 31 37 36 o 2.042000       1.551000      ?             ?      
1 1 1 31 37 37 o 0.4102000      1.527000      ?             ?      
1 1 1 31 37 38 o 0.7525000      1.182000      ?             ?      
1 1 1 31 37 39 o -0.8874000     1.164000      ?             ?      
1 1 1 31 37 40 o -0.3159000     1.278000      ?             ?      
1 1 1 31 37 41 o 0.1130000      1.012000      ?             ?      
1 1 1 31 37 42 o 2.013000       1.005000      ?             ?      
1 1 1 31 37 43 o 1.778000       1.003000      ?             ?      
1 1 1 31 37 44 o 0.4298000      1.084000      ?             ?      
1 1 1 31 37 45 o -0.4450000     1.141000      ?             ?      
1 1 1 31 37 46 o 0.1572000      1.259000      ?             ?      
1 1 1 31 37 47 o -1.490000      1.941000      ?             ?      
1 1 1 31 37 48 o -0.3702000     2.272000      ?             ?      
1 1 1 31 38 0  o 0.9270000      1.698000      151.4026      -90.0  
1 1 1 31 38 1  o 1.769000       1.115000      27.99418      43.3   
1 1 1 31 38 2  o -1.672000      1.199000      131.3983      60.6   
1 1 1 31 38 3  o -0.2650000     1.237000      57.44750      36.5   
1 1 1 31 38 4  o 1.517000       1.289000      63.34225      112.8  
1 1 1 31 38 5  o -1.042000      1.284000      94.66581      121.0  
1 1 1 31 38 6  o 1.144000       1.339000      124.2129      99.0   
1 1 1 31 38 7  o -0.2354000     1.470000      90.01213      -119.2 
1 1 1 31 38 8  o 0.7567000      1.419000      55.97759      -30.1  
1 1 1 31 38 9  o 1.102000       1.376000      127.6272      148.6  
1 1 1 31 38 10 o -0.4710000     1.226000      33.39003      -37.6  
1 1 1 31 38 11 o -1.139000      1.212000      ?             ?      
1 1 1 31 38 12 o -0.7794000     1.222000      ?             ?      
1 1 1 31 38 13 o 0.2427000      1.224000      ?             ?      
1 1 1 31 38 14 o 1.284000       1.241000      ?             ?      
1 1 1 31 38 15 o 0.2742000      1.231000      ?             ?      
1 1 1 31 38 16 o -0.5194000     1.376000      ?             ?      
1 1 1 31 38 17 o 0.2498000      1.401000      ?             ?      
1 1 1 31 38 18 o 0.8774000      1.598000      ?             ?      
1 1 1 31 38 19 o 0.2868000E-01  1.591000      ?             ?      
1 1 1 31 38 20 o 0.9795000      1.568000      ?             ?      
1 1 1 31 38 21 o 2.175000       1.589000      ?             ?      
1 1 1 31 38 22 o 0.5910000      1.625000      ?             ?      
1 1 1 31 38 23 o 1.121000       1.604000      ?             ?      
1 1 1 31 38 24 o -0.8550000     1.634000      ?             ?      
1 1 1 31 38 25 o -2.087000      1.660000      ?             ?      
1 1 1 31 38 26 f -0.6954000     2.107000      ?             ?      
1 1 1 31 38 27 o -3.334000      2.147000      ?             ?      
1 1 1 31 38 28 o 0.8255000      1.629000      ?             ?      
1 1 1 31 38 29 o -0.9316000     1.394000      ?             ?      
1 1 1 31 38 30 o -0.8674000     1.567000      ?             ?      
1 1 1 31 38 31 o -1.635000      1.483000      ?             ?      
1 1 1 31 38 32 o -0.9622000E-01 1.302000      ?             ?      
1 1 1 31 38 33 o 1.568000       1.300000      ?             ?      
1 1 1 31 38 34 o 1.114000       1.523000      ?             ?      
1 1 1 31 38 35 o -1.233000      1.520000      ?             ?      
1 1 1 31 38 36 o 1.066000       1.206000      ?             ?      
1 1 1 31 38 37 o -0.5479000     1.206000      ?             ?      
1 1 1 31 38 38 o 1.706000       1.211000      ?             ?      
1 1 1 31 38 39 o 1.562000       1.201000      ?             ?      
1 1 1 31 38 40 o -1.115000      1.192000      ?             ?      
1 1 1 31 38 41 o 0.5715000E-01  1.245000      ?             ?      
1 1 1 31 38 42 o 0.5200000      1.012000      ?             ?      
1 1 1 31 38 43 o -0.3478000     0.9985000     ?             ?      
1 1 1 31 38 44 o -0.7000000     1.019000      ?             ?      
1 1 1 31 38 45 o -0.8704000     1.147000      ?             ?      
1 1 1 31 38 46 o -2.219000      1.378000      ?             ?      
1 1 1 31 38 47 o 0.9123000      1.977000      ?             ?      
1 1 1 31 39 0  o 2.550000       1.386000      66.85152      -90.0  
1 1 1 31 39 1  o -1.317000      1.088000      106.5095      23.3   
1 1 1 31 39 2  o 1.239000       1.136000      40.68288      103.2  
1 1 1 31 39 3  o -0.5856000     1.174000      ?             ?      
1 1 1 31 39 4  o 0.3730000      1.260000      ?             ?      
1 1 1 31 39 5  o 1.373000       1.278000      ?             ?      
1 1 1 31 39 6  o 0.7030000      1.304000      ?             ?      
1 1 1 31 39 7  o 0.8945000      1.462000      ?             ?      
1 1 1 31 39 8  o -0.7630000     1.365000      ?             ?      
1 1 1 31 39 9  o 2.280000       1.372000      ?             ?      
1 1 1 31 39 10 o -1.580000      1.196000      ?             ?      
1 1 1 31 39 11 o 0.4564000      1.204000      ?             ?      
1 1 1 31 39 12 o 1.698000       1.204000      ?             ?      
1 1 1 31 39 13 o 0.8929000      1.210000      ?             ?      
1 1 1 31 39 14 o -1.882000      2.174000      ?             ?      
1 1 1 31 39 15 o 0.3176000      1.215000      ?             ?      
1 1 1 31 39 16 o -0.7930000     1.365000      ?             ?      
1 1 1 31 39 17 o 0.2271000      1.600000      ?             ?      
1 1 1 31 39 18 o 1.418000       1.573000      ?             ?      
1 1 1 31 39 19 o 1.407000       1.551000      ?             ?      
1 1 1 31 39 20 o -0.4929000     1.589000      ?             ?      
1 1 1 31 39 21 o -0.4995000     1.578000      ?             ?      
1 1 1 31 39 22 o -1.497000      1.618000      ?             ?      
1 1 1 31 39 23 o -0.2068000     1.586000      ?             ?      
1 1 1 31 39 24 o -1.741000      1.532000      ?             ?      
1 1 1 31 39 25 o -0.1742000     2.083000      ?             ?      
1 1 1 31 39 26 o -0.2521000     2.117000      ?             ?      
1 1 1 31 39 27 o 1.126000       1.594000      ?             ?      
1 1 1 31 39 28 o 0.6509000E-01  1.561000      ?             ?      
1 1 1 31 39 29 o -0.1067000     1.429000      ?             ?      
1 1 1 31 39 30 o 1.713000       1.568000      ?             ?      
1 1 1 31 39 31 o -3.551000      2.091000      ?             ?      
1 1 1 31 39 32 f -2.841000      1.603000      ?             ?      
1 1 1 31 39 33 o 0.5894000E-01  1.307000      ?             ?      
1 1 1 31 39 34 o 0.8422000      1.235000      ?             ?      
1 1 1 31 39 35 o -1.283000      1.198000      ?             ?      
1 1 1 31 39 36 o 0.7579000E-01  1.209000      ?             ?      
1 1 1 31 39 37 o -0.3224000     1.205000      ?             ?      
1 1 1 31 39 38 f 0.3442000E-01  1.215000      ?             ?      
1 1 1 31 39 39 o -1.001000      1.209000      ?             ?      
1 1 1 31 39 40 o -0.3008000     1.219000      ?             ?      
1 1 1 31 39 41 o -0.7634000     1.215000      ?             ?      
1 1 1 31 39 42 o -0.1820000     1.191000      ?             ?      
1 1 1 31 39 43 o -0.2853000     1.058000      ?             ?      
1 1 1 31 39 44 o -0.5753000     1.057000      ?             ?      
1 1 1 31 39 45 o -1.335000      1.124000      ?             ?      
1 1 1 31 39 46 f 0.8493000      1.808000      ?             ?      
1 1 1 31 40 0  o -0.1402000     1.308000      ?             ?      
1 1 1 31 40 1  o 1.256000       0.9371000     ?             ?      
1 1 1 31 40 2  o -0.2890000     1.087000      ?             ?      
1 1 1 31 40 3  o 0.5976000      1.105000      ?             ?      
1 1 1 31 40 4  o -0.2239000     1.343000      ?             ?      
1 1 1 31 40 5  o -0.9265000     1.233000      ?             ?      
1 1 1 31 40 6  o -1.367000      1.366000      ?             ?      
1 1 1 31 40 7  o -0.3582000E-01 1.322000      ?             ?      
1 1 1 31 40 8  o -0.1333000     1.336000      ?             ?      
1 1 1 31 40 9  o -3.035000      1.212000      ?             ?      
1 1 1 31 40 10 o -0.9434000     1.216000      ?             ?      
1 1 1 31 40 11 o -0.8693000     1.195000      ?             ?      
1 1 1 31 40 12 o 0.3221000      1.191000      ?             ?      
1 1 1 31 40 13 o -2.393000      1.186000      ?             ?      
1 1 1 31 40 14 o -1.001000      1.334000      ?             ?      
1 1 1 31 40 15 o -0.6835000     1.336000      ?             ?      
1 1 1 31 40 16 o -0.1775000     1.355000      ?             ?      
1 1 1 31 40 17 o -0.2598000     1.345000      ?             ?      
1 1 1 31 40 18 o -1.473000      1.555000      ?             ?      
1 1 1 31 40 19 o -0.3044000     1.607000      ?             ?      
1 1 1 31 40 20 o 0.6600000      1.629000      ?             ?      
1 1 1 31 40 21 o 1.342000       1.547000      ?             ?      
1 1 1 31 40 22 o 0.2552000      1.529000      ?             ?      
1 1 1 31 40 23 o -1.106000      1.514000      ?             ?      
1 1 1 31 40 24 o -2.487000      2.038000      ?             ?      
1 1 1 31 40 25 o 0.7927000      2.042000      ?             ?      
1 1 1 31 40 26 o -0.2091000     1.603000      ?             ?      
1 1 1 31 40 27 o -2.603000      1.525000      ?             ?      
1 1 1 31 40 28 o 1.066000       1.618000      ?             ?      
1 1 1 31 40 29 o 0.9059000      2.166000      ?             ?      
1 1 1 31 40 30 o 0.8450000E-01  2.142000      ?             ?      
1 1 1 31 40 31 o -0.3401000     1.348000      ?             ?      
1 1 1 31 40 32 o 0.9071000      1.348000      ?             ?      
1 1 1 31 40 33 o 0.7795000      1.325000      ?             ?      
1 1 1 31 40 34 o -0.4492000     1.254000      ?             ?      
1 1 1 31 40 35 o -0.5321000     1.251000      ?             ?      
1 1 1 31 40 36 o -0.9327000     1.224000      ?             ?      
1 1 1 31 40 37 o 0.6297000      1.213000      ?             ?      
1 1 1 31 40 38 o 0.1899000      1.219000      ?             ?      
1 1 1 31 40 39 o -0.4846000     1.236000      ?             ?      
1 1 1 31 40 40 o 0.8365000      1.223000      ?             ?      
1 1 1 31 40 41 o 0.1945000      1.225000      ?             ?      
1 1 1 31 40 42 o 0.5767000      1.218000      ?             ?      
1 1 1 31 40 43 o -0.4872000     1.362000      ?             ?      
1 1 1 31 40 44 o -1.507000      1.436000      ?             ?      
1 1 1 31 40 45 o 0.5884000      1.995000      ?             ?      
1 1 1 31 41 0  o 0.3573000      1.279000      ?             ?      
1 1 1 31 41 1  o -1.433000      0.9052000     ?             ?      
1 1 1 31 41 2  o 0.1264000      1.061000      ?             ?      
1 1 1 31 41 3  o 0.1432000      1.088000      ?             ?      
1 1 1 31 41 4  o -1.290000      1.212000      ?             ?      
1 1 1 31 41 5  o 0.2170000      1.184000      ?             ?      
1 1 1 31 41 6  o -1.118000      1.333000      ?             ?      
1 1 1 31 41 7  o 1.690000       1.304000      ?             ?      
1 1 1 31 41 8  o 0.2599000      1.317000      ?             ?      
1 1 1 31 41 9  o -1.064000      1.188000      ?             ?      
1 1 1 31 41 10 o -0.5880000     1.210000      ?             ?      
1 1 1 31 41 11 o 0.1620000      1.235000      ?             ?      
1 1 1 31 41 12 o 1.680000       1.357000      ?             ?      
1 1 1 31 41 13 o -2.246000      1.213000      ?             ?      
1 1 1 31 41 14 f 1.399000       1.196000      ?             ?      
1 1 1 31 41 15 o 0.4946000      1.187000      ?             ?      
1 1 1 31 41 16 o 0.6788000      1.333000      ?             ?      
1 1 1 31 41 17 o -0.3047000     1.362000      ?             ?      
1 1 1 31 41 18 o 1.651000       1.568000      ?             ?      
1 1 1 31 41 19 o -0.2937000     1.537000      ?             ?      
1 1 1 31 41 20 o 0.4217000      1.540000      ?             ?      
1 1 1 31 41 21 o -1.172000      1.516000      ?             ?      
1 1 1 31 41 22 o 1.613000       1.530000      ?             ?      
1 1 1 31 41 23 o 1.781000       1.576000      ?             ?      
1 1 1 31 41 24 o -0.4494000     2.067000      ?             ?      
1 1 1 31 41 25 o 1.448000       2.133000      ?             ?      
1 1 1 31 41 26 o -2.186000      1.532000      ?             ?      
1 1 1 31 41 27 o 1.524000       1.545000      ?             ?      
1 1 1 31 41 28 o -0.6123000     1.573000      ?             ?      
1 1 1 31 41 29 o 0.7675000      1.647000      ?             ?      
1 1 1 31 41 30 o 1.596000       1.597000      ?             ?      
1 1 1 31 41 31 o -0.3865000     1.362000      ?             ?      
1 1 1 31 41 32 o 1.623000       1.361000      ?             ?      
1 1 1 31 41 33 o -0.9722000     1.336000      ?             ?      
1 1 1 31 41 34 o 2.450000       1.338000      ?             ?      
1 1 1 31 41 35 o 1.836000       1.272000      ?             ?      
1 1 1 31 41 36 o -0.9616000     1.268000      ?             ?      
1 1 1 31 41 37 o 1.354000       1.262000      ?             ?      
1 1 1 31 41 38 o 0.1929000      1.249000      ?             ?      
1 1 1 31 41 39 o -0.2171000     1.247000      ?             ?      
1 1 1 31 41 40 o -1.677000      1.240000      ?             ?      
1 1 1 31 41 41 o 1.064000       1.264000      ?             ?      
1 1 1 31 41 42 o 1.904000       1.256000      ?             ?      
1 1 1 31 41 43 o 0.6889000      1.450000      ?             ?      
1 1 1 31 42 0  o -2.342000      1.250000      ?             ?      
1 1 1 31 42 1  o -0.2946000E-01 0.8837000     ?             ?      
1 1 1 31 42 2  o -0.9089000     0.8987000     ?             ?      
1 1 1 31 42 3  o 0.1279000      1.340000      ?             ?      
1 1 1 31 42 4  o -0.1864000     1.192000      ?             ?      
1 1 1 31 42 5  o 0.5507000      1.149000      ?             ?      
1 1 1 31 42 6  o -1.712000      1.259000      ?             ?      
1 1 1 31 42 7  o 0.1414000      1.295000      ?             ?      
1 1 1 31 42 8  o -0.5531000     1.170000      ?             ?      
1 1 1 31 42 9  o 0.2722000      1.311000      ?             ?      
1 1 1 31 42 10 o -1.158000      1.317000      ?             ?      
1 1 1 31 42 11 o -0.7989000     1.210000      ?             ?      
1 1 1 31 42 12 o 0.7526000      1.213000      ?             ?      
1 1 1 31 42 13 o -2.376000      1.182000      ?             ?      
1 1 1 31 42 14 o -1.533000      1.263000      ?             ?      
1 1 1 31 42 15 o 1.923000       1.235000      ?             ?      
1 1 1 31 42 16 o 0.7783000      1.295000      ?             ?      
1 1 1 31 42 17 o -1.818000      1.309000      ?             ?      
1 1 1 31 42 18 o -1.460000      1.516000      ?             ?      
1 1 1 31 42 19 o -0.1377000     1.539000      ?             ?      
1 1 1 31 42 20 o 0.9706000      1.517000      ?             ?      
1 1 1 31 42 21 o 1.873000       1.549000      ?             ?      
1 1 1 31 42 22 o -0.5759000     1.572000      ?             ?      
1 1 1 31 42 23 o -0.5942000     2.040000      ?             ?      
1 1 1 31 42 24 o -0.1809000     2.040000      ?             ?      
1 1 1 31 42 25 o -1.363000      1.535000      ?             ?      
1 1 1 31 42 26 o -2.452000      1.519000      ?             ?      
1 1 1 31 42 27 o 0.7080000E-01  1.566000      ?             ?      
1 1 1 31 42 28 o -2.443000      2.074000      ?             ?      
1 1 1 31 42 29 o -2.523000      2.113000      ?             ?      
1 1 1 31 42 30 o -1.083000      1.375000      ?             ?      
1 1 1 31 42 31 o 1.249000       1.362000      ?             ?      
1 1 1 31 42 32 o -0.4710000     1.335000      ?             ?      
1 1 1 31 42 33 o -0.3178000     1.351000      ?             ?      
1 1 1 31 42 34 o 0.9983000      1.339000      ?             ?      
1 1 1 31 42 35 o -0.2439000     1.282000      ?             ?      
1 1 1 31 42 36 o -2.453000      1.240000      ?             ?      
1 1 1 31 42 37 o -1.428000      1.292000      ?             ?      
1 1 1 31 42 38 o 0.5373000      1.283000      ?             ?      
1 1 1 31 42 39 o 0.7694000      1.254000      ?             ?      
1 1 1 31 42 40 o 1.949000       1.264000      ?             ?      
1 1 1 31 42 41 o -0.8130000     1.270000      ?             ?      
1 1 1 31 42 42 o 4.600000       2.448000      ?             ?      
1 1 1 31 43 0  o -0.6274000     1.224000      ?             ?      
1 1 1 31 43 1  o -0.9181000     0.8630000     ?             ?      
1 1 1 31 43 2  o -0.2983000     0.8723000     ?             ?      
1 1 1 31 43 3  o 0.8159000      0.9948000     ?             ?      
1 1 1 31 43 4  o -1.265000      1.175000      ?             ?      
1 1 1 31 43 5  o 0.5205000      1.256000      ?             ?      
1 1 1 31 43 6  o -0.2117000     1.527000      ?             ?      
1 1 1 31 43 7  o -0.1246000     1.551000      ?             ?      
1 1 1 31 43 8  o -0.5751000     1.312000      ?             ?      
1 1 1 31 43 9  o 0.2555000      1.159000      ?             ?      
1 1 1 31 43 10 o -1.291000      1.179000      ?             ?      
1 1 1 31 43 11 o 0.4616000      1.322000      ?             ?      
1 1 1 31 43 12 o 1.164000       1.320000      ?             ?      
1 1 1 31 43 13 o 1.197000       1.209000      ?             ?      
1 1 1 31 43 14 o 0.2620000      1.165000      ?             ?      
1 1 1 31 43 15 o 1.252000       1.161000      ?             ?      
1 1 1 31 43 16 o -0.7616000     1.288000      ?             ?      
1 1 1 31 43 17 o 0.8338000      1.305000      ?             ?      
1 1 1 31 43 18 o -0.3346000     1.522000      ?             ?      
1 1 1 31 43 19 o -0.9341000     1.516000      ?             ?      
1 1 1 31 43 20 o -0.2470000     1.535000      ?             ?      
1 1 1 31 43 21 o -0.5659000     1.519000      ?             ?      
1 1 1 31 43 22 o -1.171000      2.066000      ?             ?      
1 1 1 31 43 23 o -0.3961000E-01 2.048000      ?             ?      
1 1 1 31 43 24 o -0.2880000     1.576000      ?             ?      
1 1 1 31 43 25 o -0.9147000     1.493000      ?             ?      
1 1 1 31 43 26 o 0.4476000      1.511000      ?             ?      
1 1 1 31 43 27 o -2.086000      1.559000      ?             ?      
1 1 1 31 43 28 o 1.054000       2.061000      ?             ?      
1 1 1 31 43 29 o -3.082000      2.118000      ?             ?      
1 1 1 31 43 30 o -0.6851000     1.380000      ?             ?      
1 1 1 31 43 31 o -0.1263000     1.364000      ?             ?      
1 1 1 31 43 32 o -1.138000      1.341000      ?             ?      
1 1 1 31 43 33 o -0.4774000     1.357000      ?             ?      
1 1 1 31 43 34 o -2.127000      1.651000      ?             ?      
1 1 1 31 43 35 o 0.2027000      1.312000      ?             ?      
1 1 1 31 43 36 o -0.1656000     1.293000      ?             ?      
1 1 1 31 43 37 o 0.4710000E-01  1.036000      ?             ?      
1 1 1 31 43 38 o -1.696000      1.273000      ?             ?      
1 1 1 31 43 39 o 0.8176000      1.303000      ?             ?      
1 1 1 31 43 40 o 0.3768000      1.310000      ?             ?      
1 1 1 31 43 41 o -3.549000      4.631000      ?             ?      
1 1 1 31 44 0  o -1.751000      1.211000      ?             ?      
1 1 1 31 44 1  o 0.7101000      0.8565000     ?             ?      
1 1 1 31 44 2  o -0.8920000     0.8626000     ?             ?      
1 1 1 31 44 3  o -0.3360000     0.9783000     ?             ?      
1 1 1 31 44 4  o 0.3091000      1.096000      ?             ?      
1 1 1 31 44 5  o -0.6558000     1.525000      ?             ?      
1 1 1 31 44 6  o 0.1107000      1.239000      ?             ?      
1 1 1 31 44 7  o 0.1300000      1.261000      ?             ?      
1 1 1 31 44 8  o 1.320000       1.271000      ?             ?      
1 1 1 31 44 9  o 0.5957000      1.273000      ?             ?      
1 1 1 31 44 10 o -1.407000      1.165000      ?             ?      
1 1 1 31 44 11 o -0.6476000     1.155000      ?             ?      
1 1 1 31 44 12 o 1.450000       1.171000      ?             ?      
1 1 1 31 44 13 o 0.2025000      1.199000      ?             ?      
1 1 1 31 44 14 o 0.4251000      1.194000      ?             ?      
1 1 1 31 44 15 o 1.540000       1.165000      ?             ?      
1 1 1 31 44 16 o 0.2108000      1.277000      ?             ?      
1 1 1 31 44 17 o 0.9276000      1.289000      ?             ?      
1 1 1 31 44 18 f 1.144000       1.497000      ?             ?      
1 1 1 31 44 19 o -1.310000      1.501000      ?             ?      
1 1 1 31 44 20 o -1.097000      1.472000      ?             ?      
1 1 1 31 44 21 o -1.640000      1.536000      ?             ?      
1 1 1 31 44 22 o -1.090000      2.023000      ?             ?      
1 1 1 31 44 23 o 0.9801000      2.069000      ?             ?      
1 1 1 31 44 24 o 0.5891000      1.549000      ?             ?      
1 1 1 31 44 25 o 2.957000       1.516000      ?             ?      
1 1 1 31 44 26 o -0.5711000     1.517000      ?             ?      
1 1 1 31 44 27 o -0.9082000     2.077000      ?             ?      
1 1 1 31 44 28 o -0.4441000     2.055000      ?             ?      
1 1 1 31 44 29 o -0.4507000     1.605000      ?             ?      
1 1 1 31 44 30 o -1.071000      1.379000      ?             ?      
1 1 1 31 44 31 o -0.7944000     1.363000      ?             ?      
1 1 1 31 44 32 o -1.687000      1.363000      ?             ?      
1 1 1 31 44 33 o 2.486000       2.378000      ?             ?      
1 1 1 31 44 34 o 0.6661000      1.356000      ?             ?      
1 1 1 31 44 35 o -0.6649000     1.464000      ?             ?      
1 1 1 31 44 36 o 0.9515000      1.373000      ?             ?      
1 1 1 31 44 37 o 0.3691000      1.330000      ?             ?      
1 1 1 31 44 38 o -0.2236000     1.320000      ?             ?      
1 1 1 31 44 39 o 0.5804000      1.712000      ?             ?      
1 1 1 31 45 0  o 0.8864000      1.205000      ?             ?      
1 1 1 31 45 1  o -0.2681000     0.9281000     ?             ?      
1 1 1 31 45 2  o 0.1058000      1.024000      ?             ?      
1 1 1 31 45 3  o 2.037000       0.9630000     ?             ?      
1 1 1 31 45 4  o -1.417000      1.042000      ?             ?      
1 1 1 31 45 5  o 1.330000       1.240000      ?             ?      
1 1 1 31 45 6  o -0.6145000     1.263000      ?             ?      
1 1 1 31 45 7  o -1.019000      1.123000      ?             ?      
1 1 1 31 45 8  o 1.028000       1.114000      ?             ?      
1 1 1 31 45 9  o -0.2686000     1.127000      ?             ?      
1 1 1 31 45 10 o 0.4497000      1.147000      ?             ?      
1 1 1 31 45 11 o -1.994000      1.147000      ?             ?      
1 1 1 31 45 12 o 0.9584000E-01  1.157000      ?             ?      
1 1 1 31 45 13 o 0.4841000      1.183000      ?             ?      
1 1 1 31 45 14 o 0.1594000      1.200000      ?             ?      
1 1 1 31 45 15 o 0.1924000      1.210000      ?             ?      
1 1 1 31 45 16 o -0.9687000     1.322000      ?             ?      
1 1 1 31 45 17 o -1.835000      1.260000      ?             ?      
1 1 1 31 45 18 o -2.358000      1.456000      ?             ?      
1 1 1 31 45 19 o 0.8030000      1.479000      ?             ?      
1 1 1 31 45 20 o 1.607000       1.528000      ?             ?      
1 1 1 31 45 21 o -0.1168000     2.007000      ?             ?      
1 1 1 31 45 22 o -1.113000      2.076000      ?             ?      
1 1 1 31 45 23 o -0.1877000     1.518000      ?             ?      
1 1 1 31 45 24 o -1.917000      1.503000      ?             ?      
1 1 1 31 45 25 o 0.6251000E-01  1.484000      ?             ?      
1 1 1 31 45 26 o 1.104000       1.572000      ?             ?      
1 1 1 31 45 27 o 1.384000       2.071000      ?             ?      
1 1 1 31 45 28 o 0.4073000      2.067000      ?             ?      
1 1 1 31 45 29 o 0.1919000      1.619000      ?             ?      
1 1 1 31 45 30 o -0.7616000     1.403000      ?             ?      
1 1 1 31 45 31 o -1.377000      1.370000      ?             ?      
1 1 1 31 45 32 o 0.6404000      1.378000      ?             ?      
1 1 1 31 45 33 o 0.5666000      1.382000      ?             ?      
1 1 1 31 45 34 o 0.8197000      1.423000      ?             ?      
1 1 1 31 45 35 o 2.076000       1.426000      ?             ?      
1 1 1 31 45 36 o -2.761000      1.387000      ?             ?      
1 1 1 31 45 37 o -2.236000      1.718000      ?             ?      
1 1 1 31 45 38 o -4.041000      1.711000      ?             ?      
1 1 1 31 46 0  o 2.688000       1.448000      ?             ?      
1 1 1 31 46 1  o -0.3313000     0.9386000     ?             ?      
1 1 1 31 46 2  o -0.1464000E-01 0.9836000     ?             ?      
1 1 1 31 46 3  o -0.4682000     1.000000      ?             ?      
1 1 1 31 46 4  o 0.3070000      1.031000      ?             ?      
1 1 1 31 46 5  o 1.667000       1.188000      ?             ?      
1 1 1 31 46 6  o -1.679000      1.198000      ?             ?      
1 1 1 31 46 7  o 0.3669000      1.079000      ?             ?      
1 1 1 31 46 8  o -1.131000      1.073000      ?             ?      
1 1 1 31 46 9  o 0.1624000      1.107000      ?             ?      
1 1 1 31 46 10 o -0.9156000     1.132000      ?             ?      
1 1 1 31 46 11 o -0.4430000     1.150000      ?             ?      
1 1 1 31 46 12 o -0.8624000E-01 1.190000      ?             ?      
1 1 1 31 46 13 o 0.4830000      1.185000      ?             ?      
1 1 1 31 46 14 o -0.1385000     1.186000      ?             ?      
1 1 1 31 46 15 f -0.5656000     1.194000      ?             ?      
1 1 1 31 46 16 o 0.1236000E-01  1.329000      ?             ?      
1 1 1 31 46 17 o 1.856000       1.475000      ?             ?      
1 1 1 31 46 18 o -0.2311000     1.489000      ?             ?      
1 1 1 31 46 19 o 0.3284000E-01  1.483000      ?             ?      
1 1 1 31 46 20 o 1.412000       2.051000      ?             ?      
1 1 1 31 46 21 o 0.4662000      2.096000      ?             ?      
1 1 1 31 46 22 o 1.541000       1.594000      ?             ?      
1 1 1 31 46 23 o -0.3930000     1.514000      ?             ?      
1 1 1 31 46 24 o -1.467000      1.525000      ?             ?      
1 1 1 31 46 25 o -3.226000      1.534000      ?             ?      
1 1 1 31 46 26 o -3.928000      2.098000      ?             ?      
1 1 1 31 46 27 o -4.920000      2.075000      ?             ?      
1 1 1 31 46 28 o -0.2821000     1.624000      ?             ?      
1 1 1 31 46 29 o 2.874000       1.594000      ?             ?      
1 1 1 31 46 30 o -1.686000      1.580000      ?             ?      
1 1 1 31 46 31 o 1.612000       1.427000      ?             ?      
1 1 1 31 46 32 o -1.306000      1.385000      ?             ?      
1 1 1 31 46 33 o 1.714000       2.525000      ?             ?      
1 1 1 31 46 34 o 0.3924000      1.422000      ?             ?      
1 1 1 31 46 35 o 0.3279000      1.451000      ?             ?      
1 1 1 31 46 36 o -2.638000      1.743000      ?             ?      
1 1 1 31 47 0  o 1.398000       1.255000      ?             ?      
1 1 1 31 47 1  o -1.656000      0.8642000     ?             ?      
1 1 1 31 47 2  o 0.4604000E-01  0.9266000     ?             ?      
1 1 1 31 47 3  o 0.9014000      0.9457000     ?             ?      
1 1 1 31 47 4  o 1.509000       1.020000      ?             ?      
1 1 1 31 47 5  o -1.429000      1.207000      ?             ?      
1 1 1 31 47 6  o -0.8688000E-01 1.072000      ?             ?      
1 1 1 31 47 7  o 1.098000       1.086000      ?             ?      
1 1 1 31 47 8  o -1.236000      1.091000      ?             ?      
1 1 1 31 47 9  o -1.458000      1.102000      ?             ?      
1 1 1 31 47 10 o -0.7857000     1.137000      ?             ?      
1 1 1 31 47 11 o -2.147000      1.168000      ?             ?      
1 1 1 31 47 12 o 0.4096000      1.159000      ?             ?      
1 1 1 31 47 13 o 1.114000       1.177000      ?             ?      
1 1 1 31 47 14 o 0.5679000      1.186000      ?             ?      
1 1 1 31 47 15 o 0.5086000      1.203000      ?             ?      
1 1 1 31 47 16 o 1.397000       1.317000      ?             ?      
1 1 1 31 47 17 o -0.1569000     1.528000      ?             ?      
1 1 1 31 47 18 o -1.791000      1.462000      ?             ?      
1 1 1 31 47 19 o -1.967000      1.566000      ?             ?      
1 1 1 31 47 20 f -0.7127000     2.083000      ?             ?      
1 1 1 31 47 21 o 1.736000       2.115000      ?             ?      
1 1 1 31 47 22 o 0.9196000E-01  1.530000      ?             ?      
1 1 1 31 47 23 o 1.383000       1.521000      ?             ?      
1 1 1 31 47 24 o 0.3089000      1.512000      ?             ?      
1 1 1 31 47 25 o -1.768000      1.547000      ?             ?      
1 1 1 31 47 26 o 0.2833000      2.068000      ?             ?      
1 1 1 31 47 27 o -0.4268000     2.097000      ?             ?      
1 1 1 31 47 28 o -0.7408000     1.575000      ?             ?      
1 1 1 31 47 29 o -0.6541000     1.376000      ?             ?      
1 1 1 31 47 30 o -0.8403000     1.646000      ?             ?      
1 1 1 31 47 31 o 0.6731000      1.437000      ?             ?      
1 1 1 31 47 32 o 0.4691000E-01  1.440000      ?             ?      
1 1 1 31 47 33 o -3.390000      1.435000      ?             ?      
1 1 1 31 47 34 o 0.7784000      1.367000      ?             ?      
1 1 1 31 48 0  o 0.8083000      1.174000      ?             ?      
1 1 1 31 48 1  o 0.1149000      0.9259000     ?             ?      
1 1 1 31 48 2  o -1.141000      0.9241000     ?             ?      
1 1 1 31 48 3  o 0.8936000      0.9625000     ?             ?      
1 1 1 31 48 4  o 1.060000       0.9344000     ?             ?      
1 1 1 31 48 5  o 0.7642000      1.203000      ?             ?      
1 1 1 31 48 6  o -0.2989000     1.089000      ?             ?      
1 1 1 31 48 7  o -1.519000      1.149000      ?             ?      
1 1 1 31 48 8  o 0.9239000      1.113000      ?             ?      
1 1 1 31 48 9  o 0.4982000      1.098000      ?             ?      
1 1 1 31 48 10 o -1.093000      1.132000      ?             ?      
1 1 1 31 48 11 o 0.3009000      1.156000      ?             ?      
1 1 1 31 48 12 o -1.101000      1.168000      ?             ?      
1 1 1 31 48 13 o -0.6646000     1.177000      ?             ?      
1 1 1 31 48 14 o 0.6191000      1.185000      ?             ?      
1 1 1 31 48 15 o 0.8716000      1.193000      ?             ?      
1 1 1 31 48 16 o 0.1864000E-01  1.318000      ?             ?      
1 1 1 31 48 17 o -0.2718000     1.537000      ?             ?      
1 1 1 31 48 18 o -1.315000      1.493000      ?             ?      
1 1 1 31 48 19 o 2.668000       2.147000      ?             ?      
1 1 1 31 48 20 o 0.4640000      2.122000      ?             ?      
1 1 1 31 48 21 o -1.852000      1.538000      ?             ?      
1 1 1 31 48 22 o 1.663000       1.554000      ?             ?      
1 1 1 31 48 23 o -0.8215000     1.534000      ?             ?      
1 1 1 31 48 24 o -2.198000      1.568000      ?             ?      
1 1 1 31 48 25 o 0.2443000      2.078000      ?             ?      
1 1 1 31 48 26 o 0.3014000      2.071000      ?             ?      
1 1 1 31 48 27 o -0.5377000     1.583000      ?             ?      
1 1 1 31 48 28 o 3.853000       1.610000      ?             ?      
1 1 1 31 48 29 o 1.260000       1.575000      ?             ?      
1 1 1 31 48 30 o -0.3903000     1.709000      ?             ?      
1 1 1 31 48 31 o -1.175000      1.683000      ?             ?      
1 1 1 31 48 32 o 0.9507000      1.738000      ?             ?      
1 1 1 31 48 33 o 1.271000       2.161000      ?             ?      
1 1 1 31 49 0  o 0.3321000      1.184000      ?             ?      
1 1 1 31 49 1  o 0.2229000      0.9734000     ?             ?      
1 1 1 31 49 2  o 0.7644000      1.063000      ?             ?      
1 1 1 31 49 3  o -0.7920000     1.036000      ?             ?      
1 1 1 31 49 4  o -0.1417000     0.9315000     ?             ?      
1 1 1 31 49 5  o -1.074000      1.178000      ?             ?      
1 1 1 31 49 6  o -1.154000      1.078000      ?             ?      
1 1 1 31 49 7  o -0.6137000     1.220000      ?             ?      
1 1 1 31 49 8  o 0.7461000      1.223000      ?             ?      
1 1 1 31 49 9  o -1.887000      1.099000      ?             ?      
1 1 1 31 49 10 o 1.395000       1.151000      ?             ?      
1 1 1 31 49 11 o -1.393000      1.189000      ?             ?      
1 1 1 31 49 12 o 1.859000       1.262000      ?             ?      
1 1 1 31 49 13 o 1.828000       1.184000      ?             ?      
1 1 1 31 49 14 o 0.1840000      1.204000      ?             ?      
1 1 1 31 49 15 o -0.3436000     1.216000      ?             ?      
1 1 1 31 49 16 o 0.1117000E-01  1.326000      ?             ?      
1 1 1 31 49 17 o 1.601000       1.556000      ?             ?      
1 1 1 31 49 18 o 2.410000       2.119000      ?             ?      
1 1 1 31 49 19 o -0.1119000     2.082000      ?             ?      
1 1 1 31 49 20 o -2.404000      2.128000      ?             ?      
1 1 1 31 49 21 o -0.6739000     1.552000      ?             ?      
1 1 1 31 49 22 o -1.510000      1.520000      ?             ?      
1 1 1 31 49 23 o -0.5603000     1.556000      ?             ?      
1 1 1 31 49 24 o -0.8930000     1.567000      ?             ?      
1 1 1 31 49 25 o -2.440000      2.078000      ?             ?      
1 1 1 31 49 26 o -4.773000      2.116000      ?             ?      
1 1 1 31 49 27 o 4.067000       2.981000      ?             ?      
1 1 1 31 49 28 o -0.6715000     1.596000      ?             ?      
1 1 1 31 49 29 o 0.5158000      1.615000      ?             ?      
1 1 1 31 49 30 o -4.109000      3.050000      ?             ?      
1 1 1 31 49 31 o 0.9054000      3.174000      ?             ?      
1 1 1 31 50 0  o -0.4295000     1.279000      ?             ?      
1 1 1 31 50 1  o 0.6611000      0.9967000     ?             ?      
1 1 1 31 50 2  o -0.9487000     1.129000      ?             ?      
1 1 1 31 50 3  o -0.3810000     1.119000      ?             ?      
1 1 1 31 50 4  o -0.3083000     0.9133000     ?             ?      
1 1 1 31 50 5  o 0.2588000E-01  1.051000      ?             ?      
1 1 1 31 50 6  o 1.467000       1.098000      ?             ?      
1 1 1 31 50 7  o 1.726000       1.104000      ?             ?      
1 1 1 31 50 8  o -0.9431000E-01 1.087000      ?             ?      
1 1 1 31 50 9  o -1.626000      1.112000      ?             ?      
1 1 1 31 50 10 o -0.4495000     1.276000      ?             ?      
1 1 1 31 50 11 o -0.8395000     1.293000      ?             ?      
1 1 1 31 50 12 o 0.8074000      1.339000      ?             ?      
1 1 1 31 50 13 o -2.576000      1.261000      ?             ?      
1 1 1 31 50 14 o -0.2417000     1.291000      ?             ?      
1 1 1 31 50 15 o 0.9032000      1.303000      ?             ?      
1 1 1 31 50 16 o 0.4559000      1.243000      ?             ?      
1 1 1 31 50 17 o -1.187000      1.567000      ?             ?      
1 1 1 31 50 18 o 2.490000       2.117000      ?             ?      
1 1 1 31 50 19 o 3.607000       2.212000      ?             ?      
1 1 1 31 50 20 o 2.081000       1.620000      ?             ?      
1 1 1 31 50 21 o 1.198000       1.531000      ?             ?      
1 1 1 31 50 22 o 1.952000       1.540000      ?             ?      
1 1 1 31 50 23 o 0.1851000      1.555000      ?             ?      
1 1 1 31 50 24 o 1.524000       2.116000      ?             ?      
1 1 1 31 50 25 o -1.402000      2.119000      ?             ?      
1 1 1 31 50 26 o 2.719000       1.626000      ?             ?      
1 1 1 31 50 27 o -0.8187000E-01 1.621000      ?             ?      
1 1 1 31 50 28 o -2.029000      1.571000      ?             ?      
1 1 1 31 51 0  o 0.2720000      2.096000      ?             ?      
1 1 1 31 51 1  o -1.179000      1.188000      ?             ?      
1 1 1 31 51 2  o 0.5739000E-01  0.9697000     ?             ?      
1 1 1 31 51 3  o -0.9433000     0.9105000     ?             ?      
1 1 1 31 51 4  o 0.5862000      0.9647000     ?             ?      
1 1 1 31 51 5  o 0.5466000      1.402000      ?             ?      
1 1 1 31 51 6  o -0.3435000E-01 1.115000      ?             ?      
1 1 1 31 51 7  o 0.9265000      1.111000      ?             ?      
1 1 1 31 51 8  o -0.5498000E-01 1.104000      ?             ?      
1 1 1 31 51 9  o -1.943000      1.102000      ?             ?      
1 1 1 31 51 10 o 0.8335000      1.137000      ?             ?      
1 1 1 31 51 11 o 0.7572000      1.132000      ?             ?      
1 1 1 31 51 12 o -0.6831000     1.187000      ?             ?      
1 1 1 31 51 13 o -1.059000      1.215000      ?             ?      
1 1 1 31 51 14 o 0.4680000      1.392000      ?             ?      
1 1 1 31 51 15 o -2.243000      1.380000      ?             ?      
1 1 1 31 51 16 o -1.046000      1.259000      ?             ?      
1 1 1 31 51 17 o 0.2605000      2.112000      ?             ?      
1 1 1 31 51 18 o -1.027000      2.202000      ?             ?      
1 1 1 31 51 19 o 1.112000       1.713000      ?             ?      
1 1 1 31 51 20 o -0.6455000     1.729000      ?             ?      
1 1 1 31 51 21 o 0.2799000      1.546000      ?             ?      
1 1 1 31 51 22 o 1.907000       1.592000      ?             ?      
1 1 1 31 51 23 o -0.7670000     1.588000      ?             ?      
1 1 1 31 51 24 o 1.577000       2.149000      ?             ?      
1 1 1 31 51 25 o -1.877000      2.123000      ?             ?      
1 1 1 31 51 26 o -1.234000      1.600000      ?             ?      
1 1 1 31 52 0  o 0.3365000E-01  1.411000      ?             ?      
1 1 1 31 52 1  o 0.4763000      0.9302000     ?             ?      
1 1 1 31 52 2  o 1.346000       0.9655000     ?             ?      
1 1 1 31 52 3  o -1.945000      0.9559000     ?             ?      
1 1 1 31 52 4  o 1.104000       1.005000      ?             ?      
1 1 1 31 52 5  o -0.4738000     1.103000      ?             ?      
1 1 1 31 52 6  o 0.7977000E-01  1.117000      ?             ?      
1 1 1 31 52 7  o 1.471000       1.229000      ?             ?      
1 1 1 31 52 8  o 0.5652000      1.456000      ?             ?      
1 1 1 31 52 9  o -1.220000      1.277000      ?             ?      
1 1 1 31 52 10 o -0.7507000     1.132000      ?             ?      
1 1 1 31 52 11 o 0.6001000      1.143000      ?             ?      
1 1 1 31 52 12 o 1.062000       1.146000      ?             ?      
1 1 1 31 52 13 o 1.324000       1.204000      ?             ?      
1 1 1 31 52 14 o 2.198000       1.225000      ?             ?      
1 1 1 31 52 15 o -0.6875000     1.235000      ?             ?      
1 1 1 31 52 16 o 1.123000       1.619000      ?             ?      
1 1 1 31 52 17 o -1.417000      1.344000      ?             ?      
1 1 1 31 52 18 o -1.895000      1.539000      ?             ?      
1 1 1 31 52 19 o -1.102000      2.130000      ?             ?      
1 1 1 31 52 20 o 0.5052000      1.662000      ?             ?      
1 1 1 31 52 21 o -0.2487000     1.687000      ?             ?      
1 1 1 31 52 22 o -0.2511000     1.610000      ?             ?      
1 1 1 31 52 23 o 2.469000       2.202000      ?             ?      
1 1 1 31 53 0  o -0.8970000     1.404000      ?             ?      
1 1 1 31 53 1  o -0.5988000     0.9259000     ?             ?      
1 1 1 31 53 2  o -0.7184000     0.9530000     ?             ?      
1 1 1 31 53 3  o 0.9638000      0.8727000     ?             ?      
1 1 1 31 53 4  o -0.8411000     0.9027000     ?             ?      
1 1 1 31 53 5  o 0.7796000E-01  1.083000      ?             ?      
1 1 1 31 53 6  o 0.5491000E-01  1.120000      ?             ?      
1 1 1 31 53 7  o -0.5684000     1.158000      ?             ?      
1 1 1 31 53 8  o 1.288000       1.144000      ?             ?      
1 1 1 31 53 9  o 0.6397000      1.142000      ?             ?      
1 1 1 31 53 10 o -1.621000      1.155000      ?             ?      
1 1 1 31 53 11 o -1.590000      1.002000      ?             ?      
1 1 1 31 53 12 o 1.674000       1.498000      ?             ?      
1 1 1 31 53 13 o 0.7064000      1.190000      ?             ?      
1 1 1 31 53 14 o -0.8425000     1.215000      ?             ?      
1 1 1 31 53 15 o 0.4132000      1.360000      ?             ?      
1 1 1 31 53 16 o 1.287000       1.333000      ?             ?      
1 1 1 31 53 17 o -3.444000      2.131000      ?             ?      
1 1 1 31 53 18 o 0.5695000E-01  1.617000      ?             ?      
1 1 1 31 53 19 o 0.1166000      2.891000      ?             ?      
1 1 1 31 53 20 o -1.039000      1.701000      ?             ?      
1 1 1 31 54 0  o 0.9169000      1.430000      ?             ?      
1 1 1 31 54 1  o -0.5521000     0.9562000     ?             ?      
1 1 1 31 54 2  o -1.756000      0.8718000     ?             ?      
1 1 1 31 54 3  o 0.5972000      1.283000      ?             ?      
1 1 1 31 54 4  o -0.6245000     1.099000      ?             ?      
1 1 1 31 54 5  o -1.924000      1.065000      ?             ?      
1 1 1 31 54 6  o 0.7121000      1.118000      ?             ?      
1 1 1 31 54 7  o 1.484000       1.997000      ?             ?      
1 1 1 31 54 8  o -0.1355000     1.138000      ?             ?      
1 1 1 31 54 9  o 0.8204000      1.147000      ?             ?      
1 1 1 31 54 10 o 0.3994000      1.149000      ?             ?      
1 1 1 31 54 11 o -0.2492000     1.163000      ?             ?      
1 1 1 31 54 12 o 0.1748000      1.154000      ?             ?      
1 1 1 31 54 13 o -0.1396000     1.169000      ?             ?      
1 1 1 31 54 14 o 1.070000       1.550000      ?             ?      
1 1 1 31 54 15 o -1.362000      2.037000      ?             ?      
1 1 1 31 54 16 o 0.7916000      2.126000      ?             ?      
1 1 1 31 54 17 < 0.000000       -1.000000     ?             ?      
1 1 1 31 55 0  o 1.164000       1.419000      ?             ?      
1 1 1 31 55 1  o 1.223000       1.048000      ?             ?      
1 1 1 31 55 2  o -1.198000      0.8774000     ?             ?      
1 1 1 31 55 3  o 0.9356000      0.8855000     ?             ?      
1 1 1 31 55 4  o 1.330000       1.096000      ?             ?      
1 1 1 31 55 5  o -0.4708000     1.089000      ?             ?      
1 1 1 31 55 6  o -2.018000      1.231000      ?             ?      
1 1 1 31 55 7  o 0.9382000      1.242000      ?             ?      
1 1 1 31 55 8  o -1.157000      1.247000      ?             ?      
1 1 1 31 55 9  o -0.5611000     1.456000      ?             ?      
1 1 1 31 55 10 o -1.757000      1.452000      ?             ?      
1 1 1 31 55 11 o -2.064000      1.455000      ?             ?      
1 1 1 31 55 12 o 1.847000       3.943000      ?             ?      
1 1 1 31 56 0  o 3.346000       1.956000      ?             ?      
1 1 1 31 56 1  o 1.863000       1.881000      ?             ?      
1 1 1 31 56 2  o -1.036000      1.800000      ?             ?      
1 1 1 32 0  0  o 6.944000       2.395000      307.1415      -180.0 
1 1 1 32 0  1  o 12.04000       1.735000      462.5172      90.0   
1 1 1 32 0  2  o 98.25000       4.847000      1160.495      -180.0 
1 1 1 32 0  3  o 13.23000       1.777000      405.4409      -90.0  
1 1 1 32 0  4  o 8.310000       1.632000      154.1254      180.0  
1 1 1 32 0  5  f -1.181000      1.539000      41.73989      -90.0  
1 1 1 32 0  6  o 4.176000       1.568000      110.8265      180.0  
1 1 1 32 0  7  o 5.979000       1.569000      139.9955      90.0   
1 1 1 32 0  8  o 0.9360000      1.647000      62.51865      180.0  
1 1 1 32 0  9  o 121.0000       4.832000      1323.776      -90.0  
1 1 1 32 0  10 o 7.152000       1.671000      143.9856      180.0  
1 1 1 32 0  11 o 5.488000       1.626000      291.7398      -90.0  
1 1 1 32 0  12 o 9.851000       1.635000      364.9800      -180.0 
1 1 1 32 0  13 o 0.3188000      1.559000      0.4974422     90.0   
1 1 1 32 0  14 o 1.207000       1.524000      204.1869      0.0    
1 1 1 32 0  15 o 3.448000       1.630000      272.1421      -90.0  
1 1 1 32 0  16 o 1.264000       1.663000      97.37295      -0.0   
1 1 1 32 0  17 o 4.500000       1.996000      226.2851      -90.0  
1 1 1 32 0  18 o 2.808000       2.637000      193.0496      -0.0   
1 1 1 32 0  19 o 32.05000       3.488000      777.2273      90.0   
1 1 1 32 0  20 o 2.130000       2.586000      214.6138      0.0    
1 1 1 32 0  21 o 4.034000       3.505000      198.2022      -90.0  
1 1 1 32 0  22 o 9.301000       2.077000      549.5443      180.0  
1 1 1 32 0  23 o -1.469000      1.837000      160.8551      90.0   
1 1 1 32 0  24 o 9.926000       1.697000      538.7636      180.0  
1 1 1 32 0  25 o 4.902000       1.638000      441.9498      -90.0  
1 1 1 32 0  26 o 10.20000       1.701000      334.2842      180.0  
1 1 1 32 0  27 o 2.645000       1.607000      116.1010      90.0   
1 1 1 32 0  28 o 9.101000       1.682000      491.1374      180.0  
1 1 1 32 0  29 o 4.323000       1.634000      261.5962      -90.0  
1 1 1 32 0  30 o 2.432000       1.774000      142.6850      0.0    
1 1 1 32 0  31 o 0.6419000E-01  1.731000      101.6209      -90.0  
1 1 1 32 0  32 o 5.203000       1.755000      206.7007      180.0  
1 1 1 32 0  33 o 0.9845000      1.754000      109.6090      90.0   
1 1 1 32 0  34 o 2.198000       1.785000      109.9394      180.0  
1 1 1 32 0  35 o 0.2153000      1.788000      204.8331      90.0   
1 1 1 32 0  36 o -1.937000      1.794000      77.13434      -0.0   
1 1 1 32 0  37 o 4.300000       2.158000      353.4868      90.0   
1 1 1 32 0  38 o -0.5588000     2.166000      178.8382      0.0    
1 1 1 32 0  39 o 6.157000       1.918000      505.3034      -90.0  
1 1 1 32 0  40 o 3.438000       2.098000      297.2466      180.0  
1 1 1 32 0  41 o 0.3431000      1.902000      155.6026      -90.0  
1 1 1 32 0  42 o -0.4335000     1.865000      47.24416      180.0  
1 1 1 32 0  43 f 1.634000       1.885000      618.9557      90.0   
1 1 1 32 0  44 o 0.1471000      2.213000      ?             ?      
1 1 1 32 0  45 o -1.190000      2.775000      ?             ?      
1 1 1 32 0  46 o -0.7952000     2.235000      ?             ?      
1 1 1 32 0  47 o 7.175000       2.058000      ?             ?      
1 1 1 32 0  48 o 0.4771000      1.926000      ?             ?      
1 1 1 32 0  49 o -0.3940000     1.903000      ?             ?      
1 1 1 32 0  50 o -0.7967000     1.677000      ?             ?      
1 1 1 32 0  51 o -0.6160000E-01 2.102000      ?             ?      
1 1 1 32 0  52 o 7.315000       2.142000      ?             ?      
1 1 1 32 0  53 o 2.886000       1.695000      ?             ?      
1 1 1 32 0  54 o 0.5367000      1.631000      ?             ?      
1 1 1 32 0  55 o 1.967000       1.671000      ?             ?      
1 1 1 32 0  56 o 2.286000       1.667000      ?             ?      
1 1 1 32 0  57 o -0.9615000     1.684000      ?             ?      
1 1 1 32 0  58 o 0.4521000      1.686000      ?             ?      
1 1 1 32 0  59 o -0.8742000     1.706000      ?             ?      
1 1 1 32 0  60 o 4.295000       1.775000      ?             ?      
1 1 1 32 0  61 o -1.770000      1.735000      ?             ?      
1 1 1 32 0  62 o 4.475000       2.209000      ?             ?      
1 1 1 32 0  63 o -1.380000      2.081000      ?             ?      
1 1 1 32 1  0  o 20.81000       2.315000      549.1007      -180.0 
1 1 1 32 1  1  o 21.64000       1.405000      590.4452      -165.8 
1 1 1 32 1  2  o 8.820000       1.205000      371.6335      31.0   
1 1 1 32 1  3  o 34.31000       1.541000      794.7932      -56.6  
1 1 1 32 1  4  o 5.456000       1.133000      264.2355      -7.1   
1 1 1 32 1  5  o 1.114000       1.083000      191.7899      -32.6  
1 1 1 32 1  6  o 0.7536000      1.076000      118.3374      -158.2 
1 1 1 32 1  7  o 5.580000       1.111000      283.3700      -88.2  
1 1 1 32 1  8  o 5.100000       1.210000      237.5639      -32.0  
1 1 1 32 1  9  o 3.265000       1.329000      290.7988      152.5  
1 1 1 32 1  10 o 5.947000       1.166000      390.5759      -68.5  
1 1 1 32 1  11 o 10.77000       1.189000      500.3803      -163.8 
1 1 1 32 1  12 o 4.417000       1.125000      359.9745      -19.3  
1 1 1 32 1  13 o 3.849000       1.108000      402.4646      -19.9  
1 1 1 32 1  14 o 0.3663000      1.082000      145.7759      112.2  
1 1 1 32 1  15 o 1.738000       1.151000      276.6579      55.4   
1 1 1 32 1  16 o -0.9401000     1.179000      95.79625      76.3   
1 1 1 32 1  17 o 1.199000       1.316000      105.8411      55.7   
1 1 1 32 1  18 o 3.857000       1.865000      262.2729      54.5   
1 1 1 32 1  19 o 2.448000       1.936000      182.5982      63.1   
1 1 1 32 1  20 o 8.580000       2.245000      277.9198      -148.7 
1 1 1 32 1  21 o -0.3055000     2.129000      210.3178      -23.9  
1 1 1 32 1  22 o -1.208000      1.442000      28.84416      -83.9  
1 1 1 32 1  23 o 2.200000       1.340000      166.4695      140.9  
1 1 1 32 1  24 o 1.306000       1.200000      321.9683      -145.6 
1 1 1 32 1  25 o 12.75000       1.213000      566.8213      160.7  
1 1 1 32 1  26 o 1.062000       1.141000      166.6512      -36.9  
1 1 1 32 1  27 o 14.85000       1.285000      532.0779      -149.8 
1 1 1 32 1  28 o 8.866000       1.186000      449.7185      -38.3  
1 1 1 32 1  29 o 22.70000       1.373000      703.0532      -39.6  
1 1 1 32 1  30 o 0.2408000      1.243000      234.1533      129.1  
1 1 1 32 1  31 o 5.171000       1.274000      271.3176      -94.2  
1 1 1 32 1  32 o 1.976000       1.230000      190.8788      -133.9 
1 1 1 32 1  33 o 7.434000       1.276000      362.1624      168.3  
1 1 1 32 1  34 o 0.7332000      1.272000      63.00044      69.3   
1 1 1 32 1  35 o 6.494000       1.393000      335.2401      -12.2  
1 1 1 32 1  36 o 0.2692000      1.280000      172.2267      144.3  
1 1 1 32 1  37 o 2.909000       1.415000      181.2073      116.8  
1 1 1 32 1  38 o 3.999000       1.388000      387.9591      -58.4  
1 1 1 32 1  39 o 3.034000       1.442000      489.6512      2.9    
1 1 1 32 1  40 o 1.585000       1.414000      197.5494      1.5    
1 1 1 32 1  41 o 1.617000       1.321000      152.2061      -162.6 
1 1 1 32 1  42 o -0.6942000     1.390000      138.5162      -111.7 
1 1 1 32 1  43 o 4.264000       1.414000      250.0248      154.3  
1 1 1 32 1  44 o 3.565000       1.583000      ?             ?      
1 1 1 32 1  45 o 2.102000       1.779000      ?             ?      
1 1 1 32 1  46 o 2.333000       1.524000      ?             ?      
1 1 1 32 1  47 o -0.1702000     1.699000      ?             ?      
1 1 1 32 1  48 o -2.141000      1.469000      ?             ?      
1 1 1 32 1  49 o 3.612000       1.562000      ?             ?      
1 1 1 32 1  50 o 0.2288000      1.185000      ?             ?      
1 1 1 32 1  51 o 5.472000       1.311000      ?             ?      
1 1 1 32 1  52 o 4.877000       1.286000      ?             ?      
1 1 1 32 1  53 o 4.447000       1.351000      ?             ?      
1 1 1 32 1  54 o -0.7019000E-01 1.311000      ?             ?      
1 1 1 32 1  55 o -1.288000      1.165000      ?             ?      
1 1 1 32 1  56 o 7.122000       1.231000      ?             ?      
1 1 1 32 1  57 o 0.9518000      1.185000      ?             ?      
1 1 1 32 1  58 o -1.449000      1.185000      ?             ?      
1 1 1 32 1  59 o 0.6849000      1.215000      ?             ?      
1 1 1 32 1  60 f 2.152000       1.241000      ?             ?      
1 1 1 32 1  61 o -1.731000      1.384000      ?             ?      
1 1 1 32 1  62 o 1.982000       1.556000      ?             ?      
1 1 1 32 1  63 o 3.926000       3.624000      ?             ?      
1 1 1 32 2  0  o 2.360000       1.606000      310.5323      -0.0   
1 1 1 32 2  1  o 14.23000       1.202000      482.0544      47.2   
1 1 1 32 2  2  o 1.828000       1.101000      102.8306      -77.3  
1 1 1 32 2  3  o 6.491000       1.134000      463.9729      -4.9   
1 1 1 32 2  4  o -0.4565000     1.087000      109.6132      51.2   
1 1 1 32 2  5  o 2.630000       1.096000      148.5334      -16.6  
1 1 1 32 2  6  o 1.955000       1.086000      188.1642      129.3  
1 1 1 32 2  7  o 5.494000       1.136000      308.5297      120.5  
1 1 1 32 2  8  o 6.315000       1.156000      155.3158      -117.1 
1 1 1 32 2  9  o 27.70000       1.528000      687.0131      -63.5  
1 1 1 32 2  10 o 6.049000       1.160000      349.5801      131.6  
1 1 1 32 2  11 o 16.66000       1.237000      523.2921      -23.0  
1 1 1 32 2  12 o 0.9463000      1.136000      192.8648      85.2   
1 1 1 32 2  13 o 8.895000       1.234000      437.1204      -174.2 
1 1 1 32 2  14 o 0.3685000      1.099000      128.8396      -56.4  
1 1 1 32 2  15 o 1.817000       1.184000      155.4357      -162.9 
1 1 1 32 2  16 o 3.733000       1.303000      150.9121      59.6   
1 1 1 32 2  17 o 1.500000       1.340000      237.2046      95.9   
1 1 1 32 2  18 o 1.988000       1.783000      228.0777      50.0   
1 1 1 32 2  19 o 2.890000       2.140000      207.6707      -8.4   
1 1 1 32 2  20 o 2.095000       1.749000      158.0245      158.5  
1 1 1 32 2  21 o 6.854000       2.007000      240.4588      -142.6 
1 1 1 32 2  22 o 17.91000       2.157000      594.9426      179.9  
1 1 1 32 2  23 f 2.792000       1.243000      165.2495      -133.6 
1 1 1 32 2  24 o -1.118000      1.237000      87.85348      -136.4 
1 1 1 32 2  25 o 4.536000       1.218000      439.6732      -40.9  
1 1 1 32 2  26 o 2.036000       1.123000      128.8764      -119.7 
1 1 1 32 2  27 o 5.491000       1.155000      312.1733      39.2   
1 1 1 32 2  28 o 0.8754000      1.200000      116.8563      -159.9 
1 1 1 32 2  29 o 12.33000       1.273000      357.5835      -14.7  
1 1 1 32 2  30 o 2.928000       1.217000      254.9093      33.5   
1 1 1 32 2  31 o 12.62000       1.341000      484.3937      -145.2 
1 1 1 32 2  32 o 0.4908000      1.350000      250.1352      -5.5   
1 1 1 32 2  33 o -0.5873000     1.337000      127.5477      98.5   
1 1 1 32 2  34 o 9.229000       1.314000      377.1277      84.4   
1 1 1 32 2  35 o 1.344000       1.364000      210.1443      153.5  
1 1 1 32 2  36 o 4.480000       1.399000      303.7946      93.3   
1 1 1 32 2  37 o 1.866000       1.297000      163.1834      119.7  
1 1 1 32 2  38 o -1.387000      1.288000      146.8633      52.5   
1 1 1 32 2  39 o 1.155000       1.311000      206.7004      -156.7 
1 1 1 32 2  40 o 5.423000       1.335000      303.9877      72.7   
1 1 1 32 2  41 o 1.760000       1.318000      141.2803      -89.2  
1 1 1 32 2  42 o 2.862000       1.409000      117.7846      -115.2 
1 1 1 32 2  43 o -1.035000      1.627000      220.9427      168.3  
1 1 1 32 2  44 o 0.2306000      1.651000      ?             ?      
1 1 1 32 2  45 o 1.002000       2.066000      ?             ?      
1 1 1 32 2  46 o 0.7847000      2.068000      ?             ?      
1 1 1 32 2  47 o -0.2973000     1.802000      ?             ?      
1 1 1 32 2  48 o 1.529000       1.302000      ?             ?      
1 1 1 32 2  49 o 2.192000       1.265000      ?             ?      
1 1 1 32 2  50 o -0.3883000E-01 1.244000      ?             ?      
1 1 1 32 2  51 o 0.8401000      1.174000      ?             ?      
1 1 1 32 2  52 o 3.225000       1.180000      ?             ?      
1 1 1 32 2  53 o 1.600000       1.234000      ?             ?      
1 1 1 32 2  54 o 0.9993000      1.234000      ?             ?      
1 1 1 32 2  55 o 2.349000       1.195000      ?             ?      
1 1 1 32 2  56 o 2.836000       1.340000      ?             ?      
1 1 1 32 2  57 f -0.6459000     1.202000      ?             ?      
1 1 1 32 2  58 o -2.045000      1.202000      ?             ?      
1 1 1 32 2  59 o -0.1960000     1.220000      ?             ?      
1 1 1 32 2  60 o 0.5013000      1.235000      ?             ?      
1 1 1 32 2  61 o 1.528000       1.422000      ?             ?      
1 1 1 32 2  62 o 3.009000       1.504000      ?             ?      
1 1 1 32 2  63 o 2.116000       1.956000      ?             ?      
1 1 1 32 3  0  o 16.39000       1.917000      671.2885      -180.0 
1 1 1 32 3  1  o 2.343000       1.119000      151.8497      117.4  
1 1 1 32 3  2  o 1.162000       1.096000      174.8842      105.2  
1 1 1 32 3  3  o 5.729000       1.107000      223.8460      -111.3 
1 1 1 32 3  4  o 0.9530000      1.110000      125.6779      11.4   
1 1 1 32 3  5  o 5.521000       1.109000      466.8958      -163.4 
1 1 1 32 3  6  o 4.837000       1.108000      328.4062      -163.7 
1 1 1 32 3  7  o 1.839000       1.138000      138.9926      -67.0  
1 1 1 32 3  8  o 10.78000       1.175000      508.5176      39.8   
1 1 1 32 3  9  o -0.2233000     1.146000      94.79327      -36.3  
1 1 1 32 3  10 o 2.060000       1.212000      310.9344      41.6   
1 1 1 32 3  11 o 15.48000       1.214000      485.8436      -139.0 
1 1 1 32 3  12 o 17.45000       1.242000      546.9657      32.5   
1 1 1 32 3  13 o 6.673000       1.178000      505.9436      72.3   
1 1 1 32 3  14 o 2.823000       1.154000      82.52227      136.8  
1 1 1 32 3  15 o -1.195000      1.227000      146.5896      173.0  
1 1 1 32 3  16 o 10.21000       1.375000      391.4201      -41.8  
1 1 1 32 3  17 o 3.727000       1.721000      262.1785      61.3   
1 1 1 32 3  18 o 6.236000       1.799000      402.3227      67.9   
1 1 1 32 3  19 o 3.060000       2.109000      240.8650      -17.2  
1 1 1 32 3  20 o 3.642000       1.725000      359.9906      -137.1 
1 1 1 32 3  21 o 7.260000       1.654000      411.8898      -49.8  
1 1 1 32 3  22 o 0.5056000      1.546000      57.23555      -112.3 
1 1 1 32 3  23 o 3.208000       1.354000      312.2406      132.1  
1 1 1 32 3  24 o 11.56000       1.324000      390.0747      101.8  
1 1 1 32 3  25 o 2.304000       1.196000      135.9297      131.1  
1 1 1 32 3  26 o 0.5008000      1.113000      151.7934      -156.7 
1 1 1 32 3  27 o 5.198000       1.148000      352.2425      -174.2 
1 1 1 32 3  28 o 14.94000       1.287000      498.4344      -37.8  
1 1 1 32 3  29 o 6.738000       1.233000      432.8112      -43.8  
1 1 1 32 3  30 o -1.218000      1.281000      120.0957      101.6  
1 1 1 32 3  31 o 4.389000       1.279000      114.4520      -161.1 
1 1 1 32 3  32 o -1.425000      1.329000      103.7202      -87.5  
1 1 1 32 3  33 o 9.390000       1.402000      552.1509      129.8  
1 1 1 32 3  34 o 6.084000       1.299000      241.3371      -42.4  
1 1 1 32 3  35 o 4.111000       1.308000      265.0171      175.5  
1 1 1 32 3  36 o 2.015000       1.281000      142.0852      27.2   
1 1 1 32 3  37 o 7.061000       1.315000      319.7863      -178.9 
1 1 1 32 3  38 o 13.11000       1.382000      525.4277      -44.0  
1 1 1 32 3  39 o 2.096000       1.304000      227.6648      99.6   
1 1 1 32 3  40 o 0.8927000      1.300000      126.9920      -23.5  
1 1 1 32 3  41 o 5.295000       1.334000      307.3827      115.1  
1 1 1 32 3  42 o 0.3699000      1.411000      253.1037      -31.6  
1 1 1 32 3  43 o 0.2368000      1.418000      102.8362      -95.8  
1 1 1 32 3  44 o 0.6221000      1.949000      ?             ?      
1 1 1 32 3  45 o 0.2045000      2.093000      ?             ?      
1 1 1 32 3  46 o 1.239000       1.645000      ?             ?      
1 1 1 32 3  47 o -0.5297000     1.510000      ?             ?      
1 1 1 32 3  48 o 0.4856000      1.468000      ?             ?      
1 1 1 32 3  49 o -1.873000      1.320000      ?             ?      
1 1 1 32 3  50 o 0.5670000      1.236000      ?             ?      
1 1 1 32 3  51 o -1.594000      1.147000      ?             ?      
1 1 1 32 3  52 o 2.539000       1.165000      ?             ?      
1 1 1 32 3  53 o -0.4780000     1.153000      ?             ?      
1 1 1 32 3  54 o -1.088000      1.146000      ?             ?      
1 1 1 32 3  55 o -0.2323000     1.163000      ?             ?      
1 1 1 32 3  56 o 3.202000       1.253000      ?             ?      
1 1 1 32 3  57 o 0.8030000E-01  1.197000      ?             ?      
1 1 1 32 3  58 o 3.221000       1.388000      ?             ?      
1 1 1 32 3  59 o 0.9186000      1.241000      ?             ?      
1 1 1 32 3  60 o -0.8327000     1.226000      ?             ?      
1 1 1 32 3  61 o 2.045000       1.411000      ?             ?      
1 1 1 32 3  62 o 1.641000       1.468000      ?             ?      
1 1 1 32 3  63 o 0.7847000      2.004000      ?             ?      
1 1 1 32 4  0  o 20.27000       1.812000      717.4544      0.0    
1 1 1 32 4  1  o 4.148000       1.127000      281.5785      21.8   
1 1 1 32 4  2  o 0.7921000E-01  1.090000      124.0110      46.7   
1 1 1 32 4  3  o 6.359000       1.103000      351.3104      -42.1  
1 1 1 32 4  4  o 1.339000       1.071000      283.6677      -72.3  
1 1 1 32 4  5  o 4.307000       1.092000      279.3984      -108.4 
1 1 1 32 4  6  o 6.778000       1.130000      380.5577      94.5   
1 1 1 32 4  7  o 0.4421000      1.106000      238.7280      131.2  
1 1 1 32 4  8  o 0.7040000      1.096000      208.4101      -48.5  
1 1 1 32 4  9  o -0.8884000     1.108000      118.1616      8.8    
1 1 1 32 4  10 o -1.769000      1.147000      110.0113      80.1   
1 1 1 32 4  11 o 0.5906000E-01  1.120000      133.1121      -115.3 
1 1 1 32 4  12 o 1.341000       1.136000      254.7114      175.3  
1 1 1 32 4  13 o 26.64000       1.436000      661.6171      174.2  
1 1 1 32 4  14 o 4.040000       1.194000      201.2831      -174.6 
1 1 1 32 4  15 o 2.839000       1.252000      250.7119      11.1   
1 1 1 32 4  16 o 5.834000       1.358000      195.9071      101.1  
1 1 1 32 4  17 o 1.614000       1.677000      212.0397      52.1   
1 1 1 32 4  18 o -0.9045000     1.732000      19.26030      -73.2  
1 1 1 32 4  19 o 2.836000       1.603000      245.7862      27.2   
1 1 1 32 4  20 o 0.5627000      1.672000      216.8308      60.0   
1 1 1 32 4  21 o 8.782000       1.598000      551.7466      -103.4 
1 1 1 32 4  22 o 2.691000       1.447000      227.1468      160.7  
1 1 1 32 4  23 o 0.2086000      1.337000      319.0208      -96.7  
1 1 1 32 4  24 o 2.116000       1.256000      226.8460      -149.0 
1 1 1 32 4  25 o 9.630000       1.308000      479.4850      -117.5 
1 1 1 32 4  26 o 0.1009000      1.171000      89.42511      -71.8  
1 1 1 32 4  27 o 7.623000       1.303000      384.1911      37.6   
1 1 1 32 4  28 o -0.9819000     1.247000      82.31339      106.3  
1 1 1 32 4  29 o -0.7711000     1.224000      67.51706      1.3    
1 1 1 32 4  30 o 1.910000       1.261000      189.9203      126.5  
1 1 1 32 4  31 o 3.049000       1.267000      258.0565      -159.2 
1 1 1 32 4  32 o 2.627000       1.259000      207.0006      -91.3  
1 1 1 32 4  33 o 12.14000       1.349000      492.8842      55.9   
1 1 1 32 4  34 o -0.9936000     1.265000      74.49979      -82.1  
1 1 1 32 4  35 o 6.909000       1.324000      322.5438      109.3  
1 1 1 32 4  36 o 3.084000       1.289000      178.8784      -71.2  
1 1 1 32 4  37 o 0.5664000      1.268000      237.5954      79.9   
1 1 1 32 4  38 o 3.181000       1.313000      298.1023      -53.3  
1 1 1 32 4  39 o 0.7547000      1.430000      191.2492      34.7   
1 1 1 32 4  40 o -1.024000      1.398000      130.0445      -169.6 
1 1 1 32 4  41 o 2.881000       1.471000      231.1243      -58.0  
1 1 1 32 4  42 o 2.177000       1.452000      203.1882      -113.8 
1 1 1 32 4  43 f 1.959000       1.419000      95.87946      159.2  
1 1 1 32 4  44 o 7.629000       1.629000      ?             ?      
1 1 1 32 4  45 o -1.403000      2.021000      ?             ?      
1 1 1 32 4  46 o -1.447000      1.463000      ?             ?      
1 1 1 32 4  47 o 1.569000       1.454000      ?             ?      
1 1 1 32 4  48 o 0.3805000      1.410000      ?             ?      
1 1 1 32 4  49 o 0.2591000E-01  1.314000      ?             ?      
1 1 1 32 4  50 o 0.3006000      1.335000      ?             ?      
1 1 1 32 4  51 o 0.1756000      1.162000      ?             ?      
1 1 1 32 4  52 o 1.561000       1.146000      ?             ?      
1 1 1 32 4  53 o -0.2856000E-01 1.139000      ?             ?      
1 1 1 32 4  54 o -0.4317000     1.152000      ?             ?      
1 1 1 32 4  55 o 0.1953000      1.150000      ?             ?      
1 1 1 32 4  56 o -0.3326000     1.170000      ?             ?      
1 1 1 32 4  57 o 0.8725000      1.200000      ?             ?      
1 1 1 32 4  58 o 0.3457000      1.280000      ?             ?      
1 1 1 32 4  59 o -0.1890000     1.282000      ?             ?      
1 1 1 32 4  60 o -1.294000      1.379000      ?             ?      
1 1 1 32 4  61 o 1.277000       1.429000      ?             ?      
1 1 1 32 4  62 o 1.254000       1.443000      ?             ?      
1 1 1 32 4  63 o -2.931000      1.717000      ?             ?      
1 1 1 32 5  0  o 5.642000       1.665000      617.0960      180.0  
1 1 1 32 5  1  o 8.575000       1.139000      502.5989      92.2   
1 1 1 32 5  2  o 0.4526000E-01  1.085000      81.50854      -132.3 
1 1 1 32 5  3  o -0.1319000     1.074000      71.57371      -90.0  
1 1 1 32 5  4  o 0.7836000      1.080000      82.95600      -75.0  
1 1 1 32 5  5  o 2.337000       1.085000      230.9115      141.4  
1 1 1 32 5  6  o 0.4031000      1.116000      220.2951      -76.7  
1 1 1 32 5  7  o 2.181000       1.103000      170.4809      87.5   
1 1 1 32 5  8  o 3.371000       1.132000      278.9662      30.4   
1 1 1 32 5  9  o 3.617000       1.124000      237.5857      58.7   
1 1 1 32 5  10 o -0.3229000     1.111000      57.64425      -67.7  
1 1 1 32 5  11 o 2.278000       1.204000      302.7079      -127.7 
1 1 1 32 5  12 o 10.92000       1.195000      586.1650      0.9    
1 1 1 32 5  13 o 2.312000       1.169000      339.2070      69.3   
1 1 1 32 5  14 o 3.192000       1.267000      246.1677      -102.1 
1 1 1 32 5  15 o 1.252000       1.257000      245.0119      -90.1  
1 1 1 32 5  16 o 2.208000       1.414000      201.5770      -9.6   
1 1 1 32 5  17 o -1.433000      1.710000      131.9067      -68.1  
1 1 1 32 5  18 o 4.169000       1.703000      429.5434      33.9   
1 1 1 32 5  19 o -1.374000      1.521000      197.8481      -85.6  
1 1 1 32 5  20 o 0.5413000E-01  1.464000      48.14344      13.0   
1 1 1 32 5  21 o 1.064000       1.264000      198.9021      -71.1  
1 1 1 32 5  22 o 5.315000       1.291000      305.1741      -30.5  
1 1 1 32 5  23 o 3.911000       1.307000      275.0626      -36.9  
1 1 1 32 5  24 o 1.279000       1.339000      164.1785      -81.5  
1 1 1 32 5  25 o 2.499000       1.256000      107.5439      142.2  
1 1 1 32 5  26 o 1.667000       1.202000      69.83377      76.0   
1 1 1 32 5  27 o 1.987000       1.271000      125.8790      127.5  
1 1 1 32 5  28 o 2.304000       1.214000      298.6732      -66.2  
1 1 1 32 5  29 o 5.183000       1.179000      321.9663      -103.4 
1 1 1 32 5  30 o 1.992000       1.185000      190.7275      -12.2  
1 1 1 32 5  31 o 2.469000       1.196000      251.5779      173.4  
1 1 1 32 5  32 o 0.2040000      1.188000      122.5458      177.3  
1 1 1 32 5  33 o 1.374000       1.268000      236.9239      83.9   
1 1 1 32 5  34 o 3.203000       1.289000      184.5080      120.4  
1 1 1 32 5  35 o -1.484000      1.268000      149.9300      -19.7  
1 1 1 32 5  36 o 0.9471000      1.281000      164.7143      54.1   
1 1 1 32 5  37 o 0.6119000E-01  1.348000      16.57994      115.2  
1 1 1 32 5  38 o 0.2259000      1.292000      120.0420      -154.7 
1 1 1 32 5  39 o 2.702000       1.484000      210.4092      55.5   
1 1 1 32 5  40 o 5.209000       1.513000      365.4480      37.8   
1 1 1 32 5  41 o -0.7610000     1.266000      27.90875      44.7   
1 1 1 32 5  42 o 0.8511000E-01  1.404000      81.34308      36.4   
1 1 1 32 5  43 o 3.376000       1.457000      214.6631      -151.3 
1 1 1 32 5  44 o 3.229000       1.452000      ?             ?      
1 1 1 32 5  45 o 0.5335000      1.492000      ?             ?      
1 1 1 32 5  46 o 1.265000       1.481000      ?             ?      
1 1 1 32 5  47 o 2.476000       1.444000      ?             ?      
1 1 1 32 5  48 o -2.689000      1.256000      ?             ?      
1 1 1 32 5  49 o 0.6682000E-01  1.363000      ?             ?      
1 1 1 32 5  50 o 0.1166000E-01  1.412000      ?             ?      
1 1 1 32 5  51 o 0.8112000      1.234000      ?             ?      
1 1 1 32 5  52 o 0.6663000      1.216000      ?             ?      
1 1 1 32 5  53 o -1.401000      1.140000      ?             ?      
1 1 1 32 5  54 o -0.7991000     1.150000      ?             ?      
1 1 1 32 5  55 o 0.6082000      1.151000      ?             ?      
1 1 1 32 5  56 o -0.8713000E-02 1.163000      ?             ?      
1 1 1 32 5  57 o 1.834000       1.197000      ?             ?      
1 1 1 32 5  58 o 0.5782000      1.210000      ?             ?      
1 1 1 32 5  59 o -0.1849000     1.217000      ?             ?      
1 1 1 32 5  60 o -1.515000      1.437000      ?             ?      
1 1 1 32 5  61 o 1.995000       1.459000      ?             ?      
1 1 1 32 5  62 o -0.4152000     1.562000      ?             ?      
1 1 1 32 5  63 o 2.287000       1.735000      ?             ?      
1 1 1 32 6  0  o 2.003000       1.583000      209.4628      -0.0   
1 1 1 32 6  1  o -1.437000      1.088000      12.84187      107.7  
1 1 1 32 6  2  o -0.8576000     1.079000      115.4004      22.2   
1 1 1 32 6  3  o 0.9491000      1.088000      171.1857      -20.0  
1 1 1 32 6  4  o -0.7940000     1.067000      91.25615      173.8  
1 1 1 32 6  5  o 4.050000       1.115000      385.0629      -88.4  
1 1 1 32 6  6  o 1.897000       1.104000      178.9592      125.3  
1 1 1 32 6  7  o -0.5335000     1.096000      73.98064      -26.6  
1 1 1 32 6  8  o -0.1184000     1.118000      134.3387      -150.8 
1 1 1 32 6  9  o -1.500000      1.116000      59.67753      -31.5  
1 1 1 32 6  10 o 1.215000       1.118000      183.2739      102.7  
1 1 1 32 6  11 o 4.808000       1.177000      315.1635      110.9  
1 1 1 32 6  12 o -0.1528000     1.124000      109.5594      173.2  
1 1 1 32 6  13 o 0.1956000      1.216000      83.61847      110.4  
1 1 1 32 6  14 o 1.634000       1.235000      89.53635      -50.7  
1 1 1 32 6  15 o 3.165000       1.300000      235.4706      28.5   
1 1 1 32 6  16 o -1.096000      1.770000      86.85574      87.3   
1 1 1 32 6  17 o 2.924000       1.770000      247.6014      3.3    
1 1 1 32 6  18 o 0.4564000      1.420000      169.2654      33.1   
1 1 1 32 6  19 o -0.6084000     1.361000      203.2163      115.5  
1 1 1 32 6  20 o 3.203000       1.378000      329.5137      -80.7  
1 1 1 32 6  21 o -1.960000      1.238000      104.1049      -81.8  
1 1 1 32 6  22 o 1.639000       1.316000      170.7578      81.4   
1 1 1 32 6  23 o 1.352000       1.501000      143.2427      -58.0  
1 1 1 32 6  24 o -0.2998000     1.311000      85.04678      -169.6 
1 1 1 32 6  25 o 0.8085000      1.318000      134.3136      143.6  
1 1 1 32 6  26 o 1.332000       1.351000      235.1799      139.4  
1 1 1 32 6  27 o 3.144000       1.201000      253.1508      9.0    
1 1 1 32 6  28 o -0.8470000E-01 1.106000      52.56242      -125.8 
1 1 1 32 6  29 o 0.2882000      1.144000      95.72559      -66.8  
1 1 1 32 6  30 o 1.964000       1.174000      193.7784      -138.5 
1 1 1 32 6  31 o 0.7458000E-01  1.165000      72.08710      -112.9 
1 1 1 32 6  32 o 0.5360000      1.186000      41.84671      -43.4  
1 1 1 32 6  33 o -1.402000      1.190000      125.3229      89.5   
1 1 1 32 6  34 o -0.8503000     1.356000      64.15292      140.4  
1 1 1 32 6  35 o 1.175000       1.371000      294.4881      173.4  
1 1 1 32 6  36 o 1.781000       1.285000      174.0397      27.7   
1 1 1 32 6  37 o 1.964000       1.420000      60.96317      2.0    
1 1 1 32 6  38 o -0.5080000     1.280000      98.46349      -113.0 
1 1 1 32 6  39 o -0.3499000     1.303000      112.3603      136.6  
1 1 1 32 6  40 o -0.7185000     1.357000      124.7569      -161.0 
1 1 1 32 6  41 o -1.531000      1.258000      115.8767      -49.2  
1 1 1 32 6  42 o 1.161000       1.380000      160.9301      -92.4  
1 1 1 32 6  43 o 0.3439000      1.569000      ?             ?      
1 1 1 32 6  44 o 3.025000       1.512000      ?             ?      
1 1 1 32 6  45 o 3.598000       1.329000      ?             ?      
1 1 1 32 6  46 o 1.931000       1.420000      ?             ?      
1 1 1 32 6  47 o 0.1044000      1.367000      ?             ?      
1 1 1 32 6  48 o 0.2368000      1.257000      ?             ?      
1 1 1 32 6  49 o 0.8415000      1.369000      ?             ?      
1 1 1 32 6  50 o 1.245000       1.248000      ?             ?      
1 1 1 32 6  51 o -1.037000      1.292000      ?             ?      
1 1 1 32 6  52 o 2.295000       1.249000      ?             ?      
1 1 1 32 6  53 o -0.5572000     1.138000      ?             ?      
1 1 1 32 6  54 o -0.4725000     1.198000      ?             ?      
1 1 1 32 6  55 o 0.7339000      1.160000      ?             ?      
1 1 1 32 6  56 o 0.9139000      1.156000      ?             ?      
1 1 1 32 6  57 o 1.241000       1.175000      ?             ?      
1 1 1 32 6  58 o 1.346000       1.206000      ?             ?      
1 1 1 32 6  59 o 0.1448000      1.706000      ?             ?      
1 1 1 32 6  60 o 1.516000       1.364000      ?             ?      
1 1 1 32 6  61 o 0.5497000      1.420000      ?             ?      
1 1 1 32 6  62 o 1.971000       1.513000      ?             ?      
1 1 1 32 6  63 o -1.872000      3.958000      ?             ?      
1 1 1 32 7  0  o 0.1223000      1.508000      145.8180      180.0  
1 1 1 32 7  1  o 2.585000       1.089000      282.5457      43.0   
1 1 1 32 7  2  o 1.497000       1.089000      134.5413      -69.5  
1 1 1 32 7  3  o 1.516000       1.091000      165.9172      123.5  
1 1 1 32 7  4  o -1.086000      1.081000      104.2562      -70.7  
1 1 1 32 7  5  o -1.538000      1.131000      146.3903      90.8   
1 1 1 32 7  6  o -0.7708000E-01 1.107000      199.5824      -34.3  
1 1 1 32 7  7  o 1.003000       1.122000      18.90821      126.4  
1 1 1 32 7  8  o 4.696000       1.162000      260.7880      69.5   
1 1 1 32 7  9  o -1.793000      1.118000      105.2354      -84.2  
1 1 1 32 7  10 o 1.904000       1.111000      293.1894      -97.0  
1 1 1 32 7  11 o 0.6656000      1.107000      101.3061      -148.7 
1 1 1 32 7  12 o 0.6589000      1.318000      164.8225      -2.4   
1 1 1 32 7  13 o 1.838000       1.240000      201.0879      56.1   
1 1 1 32 7  14 o 2.824000       1.269000      284.7419      -85.0  
1 1 1 32 7  15 o -1.101000      1.281000      137.6627      30.5   
1 1 1 32 7  16 o 2.468000       1.886000      65.44005      -141.0 
1 1 1 32 7  17 o -1.212000      1.468000      234.3901      -60.3  
1 1 1 32 7  18 o 0.9959000      1.418000      147.7971      -22.3  
1 1 1 32 7  19 o 2.379000       1.678000      124.9455      16.6   
1 1 1 32 7  20 o 0.5100000      1.343000      39.43834      43.5   
1 1 1 32 7  21 o 2.091000       1.227000      128.0762      -63.8  
1 1 1 32 7  22 o 0.7060000      1.398000      131.3701      23.1   
1 1 1 32 7  23 o 3.074000       1.295000      294.7870      -107.4 
1 1 1 32 7  24 o 0.4174000      1.238000      162.1391      -94.1  
1 1 1 32 7  25 o 1.545000       1.301000      115.0258      152.0  
1 1 1 32 7  26 o -0.9597000     1.242000      208.7725      -3.4   
1 1 1 32 7  27 o 0.4030000      1.220000      156.9479      -60.8  
1 1 1 32 7  28 o 0.5655000      1.103000      157.4299      -44.9  
1 1 1 32 7  29 o 0.8360000      1.143000      172.2630      -71.5  
1 1 1 32 7  30 o -0.7641000     1.163000      159.8498      -39.7  
1 1 1 32 7  31 o 1.640000       1.199000      257.8867      -114.5 
1 1 1 32 7  32 o -0.5349000     1.251000      180.2055      -171.0 
1 1 1 32 7  33 o 1.623000       1.219000      196.7974      113.7  
1 1 1 32 7  34 o 0.5072000      1.350000      87.40858      157.4  
1 1 1 32 7  35 o 1.555000       1.408000      128.6667      67.3   
1 1 1 32 7  36 o 0.1601000      1.237000      106.7558      -5.7   
1 1 1 32 7  37 o 2.146000       1.261000      114.2196      -170.5 
1 1 1 32 7  38 o -0.6123000     1.267000      92.59927      82.2   
1 1 1 32 7  39 o 3.265000       1.299000      195.6877      -6.8   
1 1 1 32 7  40 o -1.077000      1.262000      188.3004      -11.6  
1 1 1 32 7  41 o 0.5458000      1.360000      140.2434      -137.6 
1 1 1 32 7  42 o -0.6711000     1.398000      72.24558      149.3  
1 1 1 32 7  43 o -0.9954000     1.392000      ?             ?      
1 1 1 32 7  44 o 1.502000       1.381000      ?             ?      
1 1 1 32 7  45 o 1.117000       1.313000      ?             ?      
1 1 1 32 7  46 o -1.453000      1.394000      ?             ?      
1 1 1 32 7  47 o 0.6479000      1.361000      ?             ?      
1 1 1 32 7  48 o 0.8293000      1.267000      ?             ?      
1 1 1 32 7  49 o -0.9509000E-01 1.240000      ?             ?      
1 1 1 32 7  50 o -0.7508000     1.224000      ?             ?      
1 1 1 32 7  51 o -0.4783000     1.281000      ?             ?      
1 1 1 32 7  52 o -1.471000      1.210000      ?             ?      
1 1 1 32 7  53 o 0.2895000      1.152000      ?             ?      
1 1 1 32 7  54 o 0.4337000      1.230000      ?             ?      
1 1 1 32 7  55 o -1.185000      1.158000      ?             ?      
1 1 1 32 7  56 o 0.2151000      1.210000      ?             ?      
1 1 1 32 7  57 o -0.6177000     1.230000      ?             ?      
1 1 1 32 7  58 o 1.699000       1.206000      ?             ?      
1 1 1 32 7  59 o 2.716000       1.356000      ?             ?      
1 1 1 32 7  60 o -0.4330000     1.697000      ?             ?      
1 1 1 32 7  61 o -2.335000      1.405000      ?             ?      
1 1 1 32 7  62 o 0.9309000      1.377000      ?             ?      
1 1 1 32 8  0  o -1.099000      1.489000      112.3020      180.0  
1 1 1 32 8  1  o -0.4085000     1.057000      114.5758      -169.1 
1 1 1 32 8  2  o -0.8426000     1.066000      83.14256      -56.4  
1 1 1 32 8  3  o 0.6167000      1.080000      136.0537      39.7   
1 1 1 32 8  4  o 1.786000       1.109000      267.6083      -132.2 
1 1 1 32 8  5  o 1.426000       1.140000      233.0188      -71.7  
1 1 1 32 8  6  o -0.5784000     1.109000      90.86445      177.3  
1 1 1 32 8  7  o -1.906000      1.112000      191.6344      60.6   
1 1 1 32 8  8  o -1.126000      1.118000      143.9776      -23.1  
1 1 1 32 8  9  o 0.2589000E-01  1.100000      182.7003      -36.0  
1 1 1 32 8  10 o -1.349000      1.104000      176.0171      131.8  
1 1 1 32 8  11 o -0.9993000     1.114000      117.0869      -14.2  
1 1 1 32 8  12 o 0.7940000      1.308000      58.26189      -48.2  
1 1 1 32 8  13 o -0.4826000     1.410000      190.3976      -18.5  
1 1 1 32 8  14 o 2.144000       1.310000      173.6153      146.5  
1 1 1 32 8  15 o 0.6367000      1.419000      162.8898      17.6   
1 1 1 32 8  16 o 0.4590000      1.932000      80.76189      89.1   
1 1 1 32 8  17 o 2.571000       2.050000      250.6437      -31.3  
1 1 1 32 8  18 o -1.783000      1.662000      91.34113      21.8   
1 1 1 32 8  19 o 0.6770000      1.320000      206.1049      116.9  
1 1 1 32 8  20 o -0.3888000     1.418000      98.00639      -121.8 
1 1 1 32 8  21 o 0.1208000      1.227000      60.01506      -162.4 
1 1 1 32 8  22 o -0.3716000E-01 1.127000      72.23769      30.6   
1 1 1 32 8  23 o 0.7968000      1.247000      108.5787      20.4   
1 1 1 32 8  24 o -0.5495000     1.144000      84.02202      34.4   
1 1 1 32 8  25 o 1.778000       1.288000      203.5011      82.6   
1 1 1 32 8  26 o -0.6204000     1.247000      36.88171      77.0   
1 1 1 32 8  27 o 2.175000       1.240000      247.1659      26.8   
1 1 1 32 8  28 o -1.229000      1.227000      44.79716      84.4   
1 1 1 32 8  29 o -0.1291000     1.210000      102.8538      6.3    
1 1 1 32 8  30 o -0.5035000     1.232000      149.3156      49.4   
1 1 1 32 8  31 o 2.551000       1.185000      167.0511      -63.0  
1 1 1 32 8  32 o -0.5577000     1.372000      144.6074      -53.8  
1 1 1 32 8  33 o -0.1978000     1.212000      171.0663      -132.2 
1 1 1 32 8  34 o -1.296000      1.209000      170.8789      171.4  
1 1 1 32 8  35 o -0.9374000     1.244000      125.2842      140.0  
1 1 1 32 8  36 o 3.373000       1.235000      193.9484      49.8   
1 1 1 32 8  37 o 1.855000       1.232000      124.9514      -64.5  
1 1 1 32 8  38 o -0.9677000     1.248000      113.6068      -179.2 
1 1 1 32 8  39 o 2.102000       1.281000      44.69375      130.2  
1 1 1 32 8  40 o 0.3288000      1.240000      110.8365      22.1   
1 1 1 32 8  41 o -0.3766000     1.321000      38.58579      135.1  
1 1 1 32 8  42 o -0.2556000     1.476000      182.4614      -74.8  
1 1 1 32 8  43 o -0.3362000E-01 1.437000      ?             ?      
1 1 1 32 8  44 o -0.1579000     1.282000      ?             ?      
1 1 1 32 8  45 o -0.2157000     1.220000      ?             ?      
1 1 1 32 8  46 o -0.1312000     1.204000      ?             ?      
1 1 1 32 8  47 o 0.3610000      1.343000      ?             ?      
1 1 1 32 8  48 o -1.358000      1.409000      ?             ?      
1 1 1 32 8  49 o -0.2970000     1.226000      ?             ?      
1 1 1 32 8  50 o 0.1709000      1.219000      ?             ?      
1 1 1 32 8  51 o 1.092000       1.225000      ?             ?      
1 1 1 32 8  52 o 0.6912000      1.196000      ?             ?      
1 1 1 32 8  53 o -0.7457000     1.143000      ?             ?      
1 1 1 32 8  54 o 1.334000       1.139000      ?             ?      
1 1 1 32 8  55 o 1.259000       1.152000      ?             ?      
1 1 1 32 8  56 o -1.460000      1.236000      ?             ?      
1 1 1 32 8  57 o 0.1512000E-01  1.259000      ?             ?      
1 1 1 32 8  58 o -0.1482000     1.259000      ?             ?      
1 1 1 32 8  59 o -1.938000      1.378000      ?             ?      
1 1 1 32 8  60 o -1.504000      1.388000      ?             ?      
1 1 1 32 8  61 o -0.4086000     1.497000      ?             ?      
1 1 1 32 8  62 o 0.6970000      1.362000      ?             ?      
1 1 1 32 9  0  o -0.2570000     1.464000      128.7806      0.0    
1 1 1 32 9  1  o 0.2105000      1.042000      133.4105      -10.1  
1 1 1 32 9  2  o 0.1436000      1.060000      46.98758      -49.5  
1 1 1 32 9  3  o -1.411000      1.076000      69.69695      92.4   
1 1 1 32 9  4  o 0.4275000      1.172000      64.65537      90.2   
1 1 1 32 9  5  o -0.3308000     1.118000      239.5782      -17.7  
1 1 1 32 9  6  o -2.362000      1.128000      86.14128      75.4   
1 1 1 32 9  7  o 0.3436000      1.121000      128.3972      25.0   
1 1 1 32 9  8  o 2.212000       1.140000      31.24649      162.4  
1 1 1 32 9  9  o -0.2391000     1.101000      146.5160      -150.4 
1 1 1 32 9  10 o -0.1022000     1.106000      20.10173      -82.3  
1 1 1 32 9  11 o -0.1199000     1.230000      127.7879      -51.8  
1 1 1 32 9  12 o 0.4395000      1.311000      90.44009      34.0   
1 1 1 32 9  13 o -1.295000      1.478000      31.49652      -41.6  
1 1 1 32 9  14 o 1.429000       1.540000      124.0766      28.1   
1 1 1 32 9  15 o -1.588000      1.724000      98.84953      -134.1 
1 1 1 32 9  16 o 1.026000       1.617000      7.472835      -129.9 
1 1 1 32 9  17 o 0.3344000      1.604000      44.17643      22.3   
1 1 1 32 9  18 o -0.7171000     1.451000      127.8655      12.6   
1 1 1 32 9  19 o -0.9864000     1.134000      125.2467      40.0   
1 1 1 32 9  20 o 0.8915000      1.171000      97.19720      -156.9 
1 1 1 32 9  21 o -0.1325000     1.176000      142.4033      -121.8 
1 1 1 32 9  22 o 0.3136000E-01  1.106000      147.6343      29.4   
1 1 1 32 9  23 o -0.1452000     1.229000      74.75698      -86.2  
1 1 1 32 9  24 o -0.8026000     1.136000      42.41789      135.8  
1 1 1 32 9  25 o -0.7554000     1.250000      129.2330      104.4  
1 1 1 32 9  26 o -1.223000      1.326000      49.96349      -47.6  
1 1 1 32 9  27 o -0.7898000E-01 1.307000      37.40966      -131.8 
1 1 1 32 9  28 o 0.7568000      1.238000      146.5337      166.8  
1 1 1 32 9  29 o -3.170000      1.570000      133.3828      -156.8 
1 1 1 32 9  30 o -2.747000      1.353000      32.32249      -14.2  
1 1 1 32 9  31 o 0.4695000      1.226000      90.16519      -73.1  
1 1 1 32 9  32 o 1.193000       1.176000      128.5128      64.5   
1 1 1 32 9  33 o 1.797000       1.226000      161.9011      115.6  
1 1 1 32 9  34 o 0.8862000      1.212000      17.30679      -12.2  
1 1 1 32 9  35 o 0.6580000      1.179000      28.53227      20.7   
1 1 1 32 9  36 o -0.3254000     1.190000      24.59990      174.1  
1 1 1 32 9  37 o 2.377000       1.208000      17.82318      141.6  
1 1 1 32 9  38 o 0.8562000      1.228000      98.94016      30.3   
1 1 1 32 9  39 o 0.5576000E-01  1.241000      42.47612      -42.4  
1 1 1 32 9  40 o 0.9614000      1.241000      71.94604      -49.5  
1 1 1 32 9  41 o 0.2755000E-02  1.391000      167.7429      148.6  
1 1 1 32 9  42 o 1.288000       1.478000      40.44139      -71.7  
1 1 1 32 9  43 o -0.1383000     1.362000      ?             ?      
1 1 1 32 9  44 o 0.2810000      1.280000      ?             ?      
1 1 1 32 9  45 o -1.167000      1.191000      ?             ?      
1 1 1 32 9  46 o 1.227000       1.180000      ?             ?      
1 1 1 32 9  47 o -0.5013000     1.332000      ?             ?      
1 1 1 32 9  48 o 0.1615000      1.327000      ?             ?      
1 1 1 32 9  49 o 1.207000       1.230000      ?             ?      
1 1 1 32 9  50 o -0.6874000     1.229000      ?             ?      
1 1 1 32 9  51 o 1.459000       1.213000      ?             ?      
1 1 1 32 9  52 o 0.3297000E-01  1.270000      ?             ?      
1 1 1 32 9  53 o 0.9664000      1.210000      ?             ?      
1 1 1 32 9  54 o 1.127000       1.141000      ?             ?      
1 1 1 32 9  55 o -1.019000      1.142000      ?             ?      
1 1 1 32 9  56 o 2.108000       1.155000      ?             ?      
1 1 1 32 9  57 o 1.730000       1.175000      ?             ?      
1 1 1 32 9  58 o 2.339000       1.535000      ?             ?      
1 1 1 32 9  59 o 0.3106000      1.537000      ?             ?      
1 1 1 32 9  60 o -0.3444000     1.389000      ?             ?      
1 1 1 32 9  61 o -2.245000      1.391000      ?             ?      
1 1 1 32 9  62 o -0.5199000     1.254000      ?             ?      
1 1 1 32 10 0  o 0.4741000      1.440000      32.33473      -0.0   
1 1 1 32 10 1  o -0.3259000     1.021000      49.86184      -157.7 
1 1 1 32 10 2  o -1.673000      1.039000      97.82699      168.7  
1 1 1 32 10 3  f -1.720000      1.065000      146.6832      131.7  
1 1 1 32 10 4  o -1.084000      1.124000      68.18753      77.4   
1 1 1 32 10 5  o -1.433000      1.116000      113.5403      -75.7  
1 1 1 32 10 6  o -2.333000      1.123000      114.0942      73.8   
1 1 1 32 10 7  o -1.039000      1.122000      68.48296      -179.4 
1 1 1 32 10 8  o -0.2555000     1.103000      36.95264      46.9   
1 1 1 32 10 9  o -1.802000      1.105000      125.0467      -96.1  
1 1 1 32 10 10 o -2.014000      1.304000      38.68756      49.9   
1 1 1 32 10 11 o -2.820000      1.312000      67.21937      -76.7  
1 1 1 32 10 12 o -1.108000      1.356000      63.12472      -93.8  
1 1 1 32 10 13 o -0.7100000     1.461000      104.5494      -107.0 
1 1 1 32 10 14 o -2.115000      1.585000      49.10717      -98.3  
1 1 1 32 10 15 o -0.4810000     1.897000      109.7035      82.3   
1 1 1 32 10 16 o -3.916000      1.545000      19.61731      1.7    
1 1 1 32 10 17 o -2.095000      1.320000      44.09065      118.7  
1 1 1 32 10 18 o 0.4987000      1.273000      116.9047      179.0  
1 1 1 32 10 19 o -0.9829000     1.145000      73.93233      70.1   
1 1 1 32 10 20 o -1.241000      1.164000      85.24483      46.7   
1 1 1 32 10 21 o 1.175000       1.170000      54.83643      -180.0 
1 1 1 32 10 22 o -1.834000      1.094000      134.2380      -6.0   
1 1 1 32 10 23 o -2.052000      1.101000      18.16863      -160.1 
1 1 1 32 10 24 o -1.183000      1.242000      26.26144      -53.6  
1 1 1 32 10 25 o -0.9598000     1.247000      16.38606      -164.9 
1 1 1 32 10 26 o -1.867000      1.271000      64.05845      26.8   
1 1 1 32 10 27 o -2.405000      1.664000      73.96909      5.8    
1 1 1 32 10 28 o -1.218000      1.235000      56.90640      -17.9  
1 1 1 32 10 29 o -1.129000      1.236000      69.25586      2.3    
1 1 1 32 10 30 o 0.3824000      1.106000      15.75988      48.5   
1 1 1 32 10 31 o -0.4211000     1.131000      92.22832      -127.5 
1 1 1 32 10 32 o -1.953000      1.167000      37.61535      -130.7 
1 1 1 32 10 33 o 0.6292000      1.216000      56.30167      -170.1 
1 1 1 32 10 34 o -1.085000      1.201000      49.07594      -129.8 
1 1 1 32 10 35 o -0.9598000E-02 1.153000      90.78773      65.7   
1 1 1 32 10 36 o 0.6269000E-01  1.136000      89.41232      -1.8   
1 1 1 32 10 37 o -1.326000      1.201000      91.63358      -158.2 
1 1 1 32 10 38 o 0.3164000      1.224000      25.19917      167.4  
1 1 1 32 10 39 o -0.5704000     1.228000      37.04887      168.4  
1 1 1 32 10 40 o 0.1747000      1.333000      13.36548      122.9  
1 1 1 32 10 41 o -1.731000      1.382000      23.83807      77.0   
1 1 1 32 10 42 o 0.7182000      1.435000      ?             ?      
1 1 1 32 10 43 o 0.4789000      1.329000      ?             ?      
1 1 1 32 10 44 o 1.701000       1.195000      ?             ?      
1 1 1 32 10 45 o -2.023000      1.176000      ?             ?      
1 1 1 32 10 46 o -0.4892000     1.167000      ?             ?      
1 1 1 32 10 47 o -0.8682000     1.328000      ?             ?      
1 1 1 32 10 48 o 1.708000       1.316000      ?             ?      
1 1 1 32 10 49 o -0.9732000     1.219000      ?             ?      
1 1 1 32 10 50 o -0.5714000     1.212000      ?             ?      
1 1 1 32 10 51 o -0.1130000     1.213000      ?             ?      
1 1 1 32 10 52 o 1.607000       1.222000      ?             ?      
1 1 1 32 10 53 o 0.9238000      1.218000      ?             ?      
1 1 1 32 10 54 o -0.5761000     1.147000      ?             ?      
1 1 1 32 10 55 o 0.2435000      1.148000      ?             ?      
1 1 1 32 10 56 o 1.474000       1.170000      ?             ?      
1 1 1 32 10 57 o -0.5282000     1.170000      ?             ?      
1 1 1 32 10 58 o 0.7574000      1.324000      ?             ?      
1 1 1 32 10 59 o -1.162000      1.457000      ?             ?      
1 1 1 32 10 60 o 2.978000       1.473000      ?             ?      
1 1 1 32 10 61 o -0.4895000     1.335000      ?             ?      
1 1 1 32 10 62 o 1.110000       1.309000      ?             ?      
1 1 1 32 11 0  o 0.2048000      1.430000      50.47329      0.0    
1 1 1 32 11 1  o -1.269000      1.018000      84.12584      -177.1 
1 1 1 32 11 2  o 0.4299000      1.022000      132.1638      -150.4 
1 1 1 32 11 3  o -0.9744000     1.151000      7.636370      -153.8 
1 1 1 32 11 4  o -1.476000      1.093000      146.6241      -69.4  
1 1 1 32 11 5  o -2.864000      1.359000      128.5655      114.0  
1 1 1 32 11 6  o -1.811000      1.115000      29.53942      11.0   
1 1 1 32 11 7  o -0.4242000     1.169000      46.83994      -46.9  
1 1 1 32 11 8  o -2.288000      1.150000      106.2824      -96.8  
1 1 1 32 11 9  o 0.3545000      1.252000      126.6074      -140.4 
1 1 1 32 11 10 o 2.277000       1.262000      72.27846      13.9   
1 1 1 32 11 11 o -1.405000      1.287000      72.57706      54.5   
1 1 1 32 11 12 o -0.7983000     1.506000      89.01984      43.0   
1 1 1 32 11 13 o -1.379000      1.628000      76.60346      -176.6 
1 1 1 32 11 14 o -0.9365000     1.320000      85.24743      -45.0  
1 1 1 32 11 15 o -0.8849000     1.578000      53.45182      -157.4 
1 1 1 32 11 16 o -1.202000      1.304000      13.57475      140.2  
1 1 1 32 11 17 o -0.3030000     1.250000      48.72571      71.9   
1 1 1 32 11 18 o 0.7468000      1.160000      16.96787      84.8   
1 1 1 32 11 19 o -1.418000      1.152000      25.04539      -44.8  
1 1 1 32 11 20 o -2.418000      1.200000      52.54203      127.1  
1 1 1 32 11 21 o -2.014000      1.164000      33.27562      94.0   
1 1 1 32 11 22 o 0.6576000      1.086000      21.50970      16.6   
1 1 1 32 11 23 o -0.2765000     1.088000      22.56916      -39.2  
1 1 1 32 11 24 o -1.412000      1.398000      21.45245      77.2   
1 1 1 32 11 25 o -1.393000      1.335000      31.86799      -177.9 
1 1 1 32 11 26 o -2.177000      1.156000      45.88680      88.7   
1 1 1 32 11 27 o 0.2763000      1.330000      38.18846      -169.3 
1 1 1 32 11 28 o 1.045000       1.238000      19.54598      3.0    
1 1 1 32 11 29 o -2.334000      1.233000      30.58786      -113.9 
1 1 1 32 11 30 o 1.292000       1.174000      36.11755      147.2  
1 1 1 32 11 31 o 0.8043000      1.115000      98.11414      -11.6  
1 1 1 32 11 32 o 0.4352000E-01  1.153000      54.57147      111.4  
1 1 1 32 11 33 o -1.264000      1.189000      59.61074      117.7  
1 1 1 32 11 34 o 1.202000       1.184000      44.08031      7.1    
1 1 1 32 11 35 o 1.274000       1.146000      65.39194      -7.6   
1 1 1 32 11 36 o -1.659000      1.143000      59.09756      -128.0 
1 1 1 32 11 37 o 0.9348000      1.147000      57.29844      -26.1  
1 1 1 32 11 38 o 0.8970000      1.230000      85.06587      42.7   
1 1 1 32 11 39 o 0.7799000      1.239000      34.66168      88.1   
1 1 1 32 11 40 o -0.7259000     1.394000      44.22670      -170.8 
1 1 1 32 11 41 o 1.140000       1.481000      73.72355      170.7  
1 1 1 32 11 42 o 0.9760000      1.336000      ?             ?      
1 1 1 32 11 43 o 0.2939000      1.269000      ?             ?      
1 1 1 32 11 44 o -0.4539000     1.175000      ?             ?      
1 1 1 32 11 45 o 0.4241000      1.167000      ?             ?      
1 1 1 32 11 46 o 1.511000       1.163000      ?             ?      
1 1 1 32 11 47 o 0.1089000      1.160000      ?             ?      
1 1 1 32 11 48 o -1.376000      1.305000      ?             ?      
1 1 1 32 11 49 o -2.488000      1.374000      ?             ?      
1 1 1 32 11 50 o -0.7828000     1.209000      ?             ?      
1 1 1 32 11 51 o 0.7716000      1.130000      ?             ?      
1 1 1 32 11 52 o -1.459000      1.215000      ?             ?      
1 1 1 32 11 53 o -2.020000      1.287000      ?             ?      
1 1 1 32 11 54 o -2.130000      1.203000      ?             ?      
1 1 1 32 11 55 o -0.5738000     1.148000      ?             ?      
1 1 1 32 11 56 o 0.1010000E-01  1.165000      ?             ?      
1 1 1 32 11 57 o -0.3243000     1.183000      ?             ?      
1 1 1 32 11 58 o -1.171000      1.315000      ?             ?      
1 1 1 32 11 59 o 1.237000       2.036000      ?             ?      
1 1 1 32 11 60 o -0.2139000     1.371000      ?             ?      
1 1 1 32 11 61 o 1.030000       1.246000      ?             ?      
1 1 1 32 11 62 o 2.023000       1.808000      ?             ?      
1 1 1 32 12 0  o -1.400000      1.429000      88.57968      -0.0   
1 1 1 32 12 1  o -0.6497000E-01 1.018000      92.43159      -81.5  
1 1 1 32 12 2  o 0.7286000      1.019000      30.66255      134.3  
1 1 1 32 12 3  o -1.709000      1.065000      58.07749      73.2   
1 1 1 32 12 4  o -2.137000      1.077000      77.55207      -140.1 
1 1 1 32 12 5  o -1.735000      1.135000      78.48777      -149.5 
1 1 1 32 12 6  o -2.711000      1.158000      62.99844      59.0   
1 1 1 32 12 7  o -1.709000      1.103000      121.1751      -164.0 
1 1 1 32 12 8  o -0.6985000     1.133000      144.6793      5.1    
1 1 1 32 12 9  o -0.3486000     1.268000      71.89339      87.1   
1 1 1 32 12 10 o -0.7752000     1.344000      75.36561      -153.3 
1 1 1 32 12 11 o -3.697000      1.396000      71.72220      -57.7  
1 1 1 32 12 12 o -1.912000      1.352000      48.16532      -72.7  
1 1 1 32 12 13 o -2.395000      1.478000      50.34665      93.8   
1 1 1 32 12 14 o -1.486000      1.345000      59.68813      -39.8  
1 1 1 32 12 15 o -0.7271000     1.404000      30.86439      -88.1  
1 1 1 32 12 16 o 0.3261000      1.605000      11.82418      -146.8 
1 1 1 32 12 17 o -1.691000      1.252000      114.9309      -54.6  
1 1 1 32 12 18 o -0.4607000     1.163000      177.4534      -125.7 
1 1 1 32 12 19 o -0.2825000     1.227000      56.84747      173.0  
1 1 1 32 12 20 o 0.6575000E-01  1.225000      63.02379      -26.7  
1 1 1 32 12 21 o -0.2962000     1.199000      23.70778      108.7  
1 1 1 32 12 22 o 2.389000       1.187000      35.34280      22.1   
1 1 1 32 12 23 o -1.420000      1.125000      127.2671      -90.6  
1 1 1 32 12 24 o -0.5548000     1.137000      93.06393      -79.8  
1 1 1 32 12 25 o -0.3046000     1.127000      51.83056      133.2  
1 1 1 32 12 26 o -0.1520000     1.166000      95.05755      15.7   
1 1 1 32 12 27 o -0.2376000     1.282000      70.41707      89.2   
1 1 1 32 12 28 o -1.533000      1.347000      85.69212      28.4   
1 1 1 32 12 29 o -0.2357000     1.240000      27.29397      169.1  
1 1 1 32 12 30 o 1.552000       1.234000      81.48087      131.9  
1 1 1 32 12 31 o -2.734000      1.101000      55.29318      -20.9  
1 1 1 32 12 32 o -2.237000      1.121000      47.62738      -127.5 
1 1 1 32 12 33 o 1.180000       1.174000      128.2970      -11.7  
1 1 1 32 12 34 o -0.7492000     1.164000      32.08826      -104.4 
1 1 1 32 12 35 o -0.3986000     1.138000      60.39262      80.2   
1 1 1 32 12 36 o 1.225000       1.140000      56.95293      -117.0 
1 1 1 32 12 37 o 1.439000       1.149000      120.2281      -172.7 
1 1 1 32 12 38 o 0.3893000      1.150000      35.07408      -101.5 
1 1 1 32 12 39 o -0.9874000     1.295000      82.40505      166.4  
1 1 1 32 12 40 o -0.9833000E-01 1.345000      21.82952      -8.5   
1 1 1 32 12 41 o 0.6472000      1.407000      119.4820      158.0  
1 1 1 32 12 42 o 2.086000       1.311000      ?             ?      
1 1 1 32 12 43 o 1.569000       1.185000      ?             ?      
1 1 1 32 12 44 o 2.347000       1.167000      ?             ?      
1 1 1 32 12 45 o -1.521000      1.155000      ?             ?      
1 1 1 32 12 46 o -0.8636000     1.146000      ?             ?      
1 1 1 32 12 47 o 0.4068000      1.143000      ?             ?      
1 1 1 32 12 48 o -0.8217000E-01 1.312000      ?             ?      
1 1 1 32 12 49 o -1.436000      1.285000      ?             ?      
1 1 1 32 12 50 o -0.7722000     1.194000      ?             ?      
1 1 1 32 12 51 o 0.4884000      1.201000      ?             ?      
1 1 1 32 12 52 o 0.2603000      1.223000      ?             ?      
1 1 1 32 12 53 o -0.2753000     1.229000      ?             ?      
1 1 1 32 12 54 o 0.2538000      1.214000      ?             ?      
1 1 1 32 12 55 o -0.9991000     1.162000      ?             ?      
1 1 1 32 12 56 f 0.1895000      1.162000      ?             ?      
1 1 1 32 12 57 o -0.4865000     1.276000      ?             ?      
1 1 1 32 12 58 o 1.016000       1.376000      ?             ?      
1 1 1 32 12 59 o 0.5942000      1.431000      ?             ?      
1 1 1 32 12 60 o 1.209000       1.321000      ?             ?      
1 1 1 32 12 61 o 0.6596000      1.244000      ?             ?      
1 1 1 32 13 0  o 1.820000       1.458000      87.34615      -180.0 
1 1 1 32 13 1  o 0.4495000      1.023000      47.24101      115.5  
1 1 1 32 13 2  o -1.299000      1.065000      17.45157      170.1  
1 1 1 32 13 3  o -0.7659000     1.099000      99.07835      -113.8 
1 1 1 32 13 4  o 0.9053000      1.089000      174.4566      -108.7 
1 1 1 32 13 5  o 0.5149000      1.097000      238.3708      162.6  
1 1 1 32 13 6  o 0.2441000      1.108000      50.22297      17.8   
1 1 1 32 13 7  o 1.562000       1.225000      104.5072      31.2   
1 1 1 32 13 8  o 0.5781000      1.321000      110.3153      -75.9  
1 1 1 32 13 9  o -1.383000      1.260000      155.0674      -102.6 
1 1 1 32 13 10 o 1.329000       1.393000      153.5619      35.1   
1 1 1 32 13 11 o 0.7379000      1.416000      309.8168      49.8   
1 1 1 32 13 12 o -2.080000      1.377000      42.32030      -144.0 
1 1 1 32 13 13 o -0.4456000     1.243000      130.8556      -117.7 
1 1 1 32 13 14 o -1.627000      1.424000      11.02840      47.0   
1 1 1 32 13 15 o -1.463000      1.422000      112.0885      -137.4 
1 1 1 32 13 16 o 1.445000       1.652000      200.0250      70.2   
1 1 1 32 13 17 o -0.2359000     1.333000      94.20007      20.9   
1 1 1 32 13 18 o 1.374000       1.155000      69.94925      -77.9  
1 1 1 32 13 19 o -0.1618000     1.170000      113.5375      -117.8 
1 1 1 32 13 20 o -0.3076000     1.182000      155.8081      64.1   
1 1 1 32 13 21 o 0.6575000      1.238000      168.0077      9.9    
1 1 1 32 13 22 o 0.8525000      1.091000      131.9004      1.7    
1 1 1 32 13 23 o 0.2361000      1.121000      138.2695      -40.2  
1 1 1 32 13 24 o 0.3712000      1.116000      115.4784      82.4   
1 1 1 32 13 25 o 1.054000       1.163000      64.26294      -14.5  
1 1 1 32 13 26 o -0.6305000     1.157000      53.78186      32.6   
1 1 1 32 13 27 o 1.511000       1.181000      49.99146      88.1   
1 1 1 32 13 28 o 2.539000       1.301000      158.9971      127.3  
1 1 1 32 13 29 o 0.6304000      1.247000      172.1209      -148.0 
1 1 1 32 13 30 o -1.068000      1.208000      70.78045      18.5   
1 1 1 32 13 31 o -1.365000      1.212000      36.33523      -33.5  
1 1 1 32 13 32 o -0.6202000     1.140000      128.6728      137.8  
1 1 1 32 13 33 o 1.816000       1.151000      42.30185      -80.7  
1 1 1 32 13 34 o 0.1196000      1.147000      70.81022      18.0   
1 1 1 32 13 35 o 1.488000       1.135000      89.66425      -51.8  
1 1 1 32 13 36 o -1.421000      1.130000      58.16397      -58.5  
1 1 1 32 13 37 o -1.895000      1.135000      18.84503      39.7   
1 1 1 32 13 38 o 2.304000       1.185000      114.6919      141.5  
1 1 1 32 13 39 o 0.6370000E-01  1.257000      93.47215      37.0   
1 1 1 32 13 40 o -0.9153000     1.400000      74.39491      -112.6 
1 1 1 32 13 41 o 1.026000       1.290000      ?             ?      
1 1 1 32 13 42 o 0.9940000E-01  1.247000      ?             ?      
1 1 1 32 13 43 o 0.4409000      1.183000      ?             ?      
1 1 1 32 13 44 o 0.8403000      1.159000      ?             ?      
1 1 1 32 13 45 o -0.5069000     1.156000      ?             ?      
1 1 1 32 13 46 o 0.4439000      1.147000      ?             ?      
1 1 1 32 13 47 o 0.4373000      1.143000      ?             ?      
1 1 1 32 13 48 o -0.3894000     1.291000      ?             ?      
1 1 1 32 13 49 o -0.5193000     1.273000      ?             ?      
1 1 1 32 13 50 o 1.480000       1.217000      ?             ?      
1 1 1 32 13 51 o -0.1917000     1.197000      ?             ?      
1 1 1 32 13 52 o -1.073000      1.137000      ?             ?      
1 1 1 32 13 53 o -1.403000      1.219000      ?             ?      
1 1 1 32 13 54 o -1.274000      1.311000      ?             ?      
1 1 1 32 13 55 o 0.8083000      1.231000      ?             ?      
1 1 1 32 13 56 o -1.409000      1.153000      ?             ?      
1 1 1 32 13 57 o 1.323000       1.299000      ?             ?      
1 1 1 32 13 58 o -0.5212000     1.341000      ?             ?      
1 1 1 32 13 59 o -0.7525000     1.357000      ?             ?      
1 1 1 32 13 60 o -0.3738000     1.232000      ?             ?      
1 1 1 32 13 61 o 1.216000       1.254000      ?             ?      
1 1 1 32 14 0  o -2.133000      1.578000      24.39567      -0.0   
1 1 1 32 14 1  o -0.1234000     1.073000      123.9486      -113.8 
1 1 1 32 14 2  o -1.977000      1.104000      182.5047      52.1   
1 1 1 32 14 3  o 1.108000       1.078000      289.6820      -26.2  
1 1 1 32 14 4  o -0.2654000     1.217000      124.9290      -75.9  
1 1 1 32 14 5  o -0.2185000     1.184000      224.2971      -136.9 
1 1 1 32 14 6  o 3.034000       1.122000      144.5402      -163.0 
1 1 1 32 14 7  o 0.6611000      1.245000      142.5599      76.5   
1 1 1 32 14 8  o 5.803000       1.309000      360.8492      30.8   
1 1 1 32 14 9  o 0.9748000      1.381000      154.6779      147.8  
1 1 1 32 14 10 o -0.2727000     1.346000      190.8856      -163.7 
1 1 1 32 14 11 o 2.775000       1.386000      55.08462      -138.8 
1 1 1 32 14 12 o -1.075000      1.225000      141.9586      99.5   
1 1 1 32 14 13 o -0.8885000     1.312000      199.3203      12.6   
1 1 1 32 14 14 o -3.127000      1.543000      138.0690      -76.6  
1 1 1 32 14 15 o 3.332000       1.430000      306.8550      159.9  
1 1 1 32 14 16 o 0.1037000      1.546000      165.8634      97.9   
1 1 1 32 14 17 o 1.748000       1.275000      134.3673      -76.1  
1 1 1 32 14 18 o -0.4814000     1.165000      102.6619      -66.7  
1 1 1 32 14 19 o 2.120000       1.187000      210.5823      138.5  
1 1 1 32 14 20 o -1.128000      1.193000      150.7134      80.6   
1 1 1 32 14 21 o 3.228000       1.250000      106.9712      125.6  
1 1 1 32 14 22 o 0.3099000      1.103000      81.54031      -29.5  
1 1 1 32 14 23 o 0.6967000      1.131000      138.5410      -108.1 
1 1 1 32 14 24 o 1.284000       1.128000      167.9487      -1.8   
1 1 1 32 14 25 o 1.749000       1.144000      154.0069      114.2  
1 1 1 32 14 26 o 2.081000       1.193000      66.18304      -42.0  
1 1 1 32 14 27 o -2.019000      1.172000      80.49031      -162.0 
1 1 1 32 14 28 o 0.4031000      1.197000      231.8190      -7.7   
1 1 1 32 14 29 o -0.3903000     1.328000      95.99462      154.1  
1 1 1 32 14 30 o 0.4616000      1.217000      95.80531      -168.3 
1 1 1 32 14 31 o -1.280000      1.232000      29.25031      -16.8  
1 1 1 32 14 32 o 2.572000       1.173000      199.4619      -9.0   
1 1 1 32 14 33 o 2.073000       1.144000      89.88188      127.2  
1 1 1 32 14 34 o 1.421000       1.124000      180.7652      -176.2 
1 1 1 32 14 35 o -0.3681000     1.111000      116.7082      179.2  
1 1 1 32 14 36 o 0.5765000      1.115000      58.57220      98.0   
1 1 1 32 14 37 o -0.7638000     1.122000      25.40370      -140.1 
1 1 1 32 14 38 o -1.062000      1.151000      50.24261      158.6  
1 1 1 32 14 39 o -1.371000      1.262000      132.3455      -145.9 
1 1 1 32 14 40 o -0.3970000     1.425000      120.6838      126.2  
1 1 1 32 14 41 o 1.059000       1.281000      ?             ?      
1 1 1 32 14 42 o -0.6764000     1.168000      ?             ?      
1 1 1 32 14 43 o 1.525000       1.169000      ?             ?      
1 1 1 32 14 44 o -1.401000      1.146000      ?             ?      
1 1 1 32 14 45 o 1.026000       1.151000      ?             ?      
1 1 1 32 14 46 o 0.1397000E-01  1.145000      ?             ?      
1 1 1 32 14 47 o -1.185000      1.124000      ?             ?      
1 1 1 32 14 48 o -1.037000      1.107000      ?             ?      
1 1 1 32 14 49 o -0.3487000E-01 1.290000      ?             ?      
1 1 1 32 14 50 o 1.623000       1.381000      ?             ?      
1 1 1 32 14 51 o -0.4266000     1.206000      ?             ?      
1 1 1 32 14 52 o -1.037000      1.138000      ?             ?      
1 1 1 32 14 53 o -1.027000      1.231000      ?             ?      
1 1 1 32 14 54 o -0.2409000     1.246000      ?             ?      
1 1 1 32 14 55 o 0.2989000      1.221000      ?             ?      
1 1 1 32 14 56 o -0.4972000     1.270000      ?             ?      
1 1 1 32 14 57 o -0.5555000     1.348000      ?             ?      
1 1 1 32 14 58 o -2.109000      1.410000      ?             ?      
1 1 1 32 14 59 o -2.449000      1.313000      ?             ?      
1 1 1 32 14 60 o -0.9621000     1.236000      ?             ?      
1 1 1 32 14 61 o -0.3122000     1.229000      ?             ?      
1 1 1 32 15 0  o 0.2225000      1.429000      15.10515      -180.0 
1 1 1 32 15 1  o 1.405000       1.094000      198.6859      34.3   
1 1 1 32 15 2  o 0.9752000      1.223000      11.63307      -74.6  
1 1 1 32 15 3  o -0.2513000     1.168000      145.1106      -133.3 
1 1 1 32 15 4  o 2.116000       1.118000      293.8409      -13.1  
1 1 1 32 15 5  o 0.4947000      1.102000      118.4956      -158.8 
1 1 1 32 15 6  o 0.2603000      1.228000      76.20676      34.1   
1 1 1 32 15 7  o 1.514000       1.241000      167.1837      -67.4  
1 1 1 32 15 8  o -0.4128000     1.374000      54.58072      137.9  
1 1 1 32 15 9  o 1.800000       1.394000      183.8313      109.1  
1 1 1 32 15 10 o -0.7798000E-01 1.416000      105.2061      46.2   
1 1 1 32 15 11 o 0.2045000      1.499000      124.4520      76.8   
1 1 1 32 15 12 o 0.4220000      1.217000      127.8219      -68.7  
1 1 1 32 15 13 o 0.6577000      1.242000      179.0987      -117.9 
1 1 1 32 15 14 o -0.4258000     1.545000      57.91644      -143.1 
1 1 1 32 15 15 f 1.273000       1.561000      252.7678      -26.3  
1 1 1 32 15 16 o 0.6228000      1.551000      92.56596      38.6   
1 1 1 32 15 17 o 1.240000       1.275000      163.0348      -175.7 
1 1 1 32 15 18 o 5.666000       1.386000      359.8908      -113.7 
1 1 1 32 15 19 o -0.9908000     1.172000      32.10834      -89.0  
1 1 1 32 15 20 o 0.6464000      1.177000      252.3853      19.7   
1 1 1 32 15 21 o -0.8808000     1.211000      34.16749      -54.7  
1 1 1 32 15 22 o -0.3573000     1.310000      135.7425      -38.7  
1 1 1 32 15 23 o 3.164000       1.157000      318.9108      58.1   
1 1 1 32 15 24 o -0.1901000     1.146000      276.9021      75.2   
1 1 1 32 15 25 o 2.612000       1.163000      257.5837      39.0   
1 1 1 32 15 26 o 0.6537000E-01  1.100000      113.2177      -125.2 
1 1 1 32 15 27 o 3.446000       1.186000      234.0409      86.9   
1 1 1 32 15 28 o 0.6977000      1.182000      90.73399      -170.5 
1 1 1 32 15 29 o 0.6345000      1.263000      81.43120      -66.7  
1 1 1 32 15 30 o 1.982000       1.369000      200.2690      69.1   
1 1 1 32 15 31 o 3.172000       1.278000      237.5785      151.8  
1 1 1 32 15 32 o 1.203000       1.254000      115.4282      77.7   
1 1 1 32 15 33 o 2.068000       1.147000      98.09525      -144.4 
1 1 1 32 15 34 o -0.2412000     1.117000      100.9608      -94.1  
1 1 1 32 15 35 o -1.693000      1.106000      160.0438      -110.4 
1 1 1 32 15 36 o -1.481000      1.107000      52.68393      -28.5  
1 1 1 32 15 37 o 0.2658000      1.125000      110.7639      125.2  
1 1 1 32 15 38 o 1.235000       1.247000      127.7174      -130.6 
1 1 1 32 15 39 o -1.531000      1.284000      169.1881      -2.0   
1 1 1 32 15 40 o -0.2771000     1.246000      ?             ?      
1 1 1 32 15 41 o 0.2396000E-01  1.224000      ?             ?      
1 1 1 32 15 42 o -1.326000      1.146000      ?             ?      
1 1 1 32 15 43 o 0.1089000      1.138000      ?             ?      
1 1 1 32 15 44 o 2.014000       1.158000      ?             ?      
1 1 1 32 15 45 o -0.3917000     1.145000      ?             ?      
1 1 1 32 15 46 o -0.9351000     1.141000      ?             ?      
1 1 1 32 15 47 o 0.9736000      1.129000      ?             ?      
1 1 1 32 15 48 o -2.510000      1.096000      ?             ?      
1 1 1 32 15 49 o -0.3983000     1.283000      ?             ?      
1 1 1 32 15 50 o 1.632000       1.299000      ?             ?      
1 1 1 32 15 51 o -1.133000      1.211000      ?             ?      
1 1 1 32 15 52 o 0.4491000      1.233000      ?             ?      
1 1 1 32 15 53 o -1.534000      1.159000      ?             ?      
1 1 1 32 15 54 o 1.057000       1.249000      ?             ?      
1 1 1 32 15 55 o -1.170000      1.231000      ?             ?      
1 1 1 32 15 56 o -0.9426000     1.358000      ?             ?      
1 1 1 32 15 57 o 0.6942000      1.416000      ?             ?      
1 1 1 32 15 58 o -1.106000      1.349000      ?             ?      
1 1 1 32 15 59 o 0.5198000      1.224000      ?             ?      
1 1 1 32 15 60 o 0.6533000E-01  1.694000      ?             ?      
1 1 1 32 16 0  o 0.7640000      1.709000      82.69141      180.0  
1 1 1 32 16 1  o 3.610000       1.204000      189.0478      -21.9  
1 1 1 32 16 2  o 0.7458000      1.144000      70.88731      58.4   
1 1 1 32 16 3  o 0.6162000      1.056000      233.1248      28.8   
1 1 1 32 16 4  o -0.5506000     1.087000      46.65500      -41.4  
1 1 1 32 16 5  o 9.921000       1.300000      438.3927      -150.9 
1 1 1 32 16 6  o 1.243000       1.240000      88.33483      -60.5  
1 1 1 32 16 7  o 1.322000       1.275000      141.2545      46.9   
1 1 1 32 16 8  o 0.3527000      1.386000      85.22974      90.2   
1 1 1 32 16 9  o 11.75000       1.451000      489.4500      -167.0 
1 1 1 32 16 10 o 7.180000       1.424000      200.8971      -177.9 
1 1 1 32 16 11 o -1.701000      1.264000      29.14018      -166.7 
1 1 1 32 16 12 o 0.3641000      1.188000      225.0198      -31.3  
1 1 1 32 16 13 o 1.720000       1.223000      141.7545      13.5   
1 1 1 32 16 14 o -1.311000      1.288000      167.1276      152.2  
1 1 1 32 16 15 o 7.948000       1.425000      466.9292      147.5  
1 1 1 32 16 16 o 0.5749000      1.306000      210.3680      95.9   
1 1 1 32 16 17 o 2.693000       1.291000      183.0987      -33.4  
1 1 1 32 16 18 o 1.826000       1.332000      130.0190      151.2  
1 1 1 32 16 19 o 3.722000       1.385000      280.5779      172.9  
1 1 1 32 16 20 o 0.9558000      1.176000      200.6596      91.7   
1 1 1 32 16 21 o 1.887000       1.222000      48.68549      -2.6   
1 1 1 32 16 22 o 4.680000       1.350000      352.7001      -175.6 
1 1 1 32 16 23 o 5.358000       1.181000      368.8539      -170.5 
1 1 1 32 16 24 o 2.786000       1.168000      199.2165      -136.0 
1 1 1 32 16 25 o 2.631000       1.165000      276.8393      -5.9   
1 1 1 32 16 26 o -0.4968000     1.078000      70.93714      149.7  
1 1 1 32 16 27 o 1.016000       1.170000      83.02547      -62.7  
1 1 1 32 16 28 o -2.533000      1.199000      43.91241      43.1   
1 1 1 32 16 29 o 4.653000       1.247000      270.1750      -154.6 
1 1 1 32 16 30 o 3.589000       1.384000      240.8384      173.2  
1 1 1 32 16 31 o 1.668000       1.249000      140.6457      138.9  
1 1 1 32 16 32 o 2.858000       1.252000      246.6886      -50.0  
1 1 1 32 16 33 o -0.3734000     1.205000      219.6680      157.3  
1 1 1 32 16 34 o 1.930000       1.146000      130.5485      -137.7 
1 1 1 32 16 35 o 0.6381000      1.117000      45.50510      -169.7 
1 1 1 32 16 36 o 0.2513000      1.109000      38.27041      111.2  
1 1 1 32 16 37 o 1.924000       1.124000      165.6113      -75.4  
1 1 1 32 16 38 o -0.2358000     1.238000      129.1015      173.7  
1 1 1 32 16 39 o 1.793000       1.408000      146.9255      -49.1  
1 1 1 32 16 40 o 1.435000       1.217000      ?             ?      
1 1 1 32 16 41 o 3.371000       1.125000      ?             ?      
1 1 1 32 16 42 o 2.827000       1.104000      ?             ?      
1 1 1 32 16 43 o 1.102000       1.140000      ?             ?      
1 1 1 32 16 44 o 2.112000       1.161000      ?             ?      
1 1 1 32 16 45 o 5.435000       1.176000      ?             ?      
1 1 1 32 16 46 o 0.9667000      1.129000      ?             ?      
1 1 1 32 16 47 o -0.3057000     1.093000      ?             ?      
1 1 1 32 16 48 o -1.156000      1.084000      ?             ?      
1 1 1 32 16 49 o 1.397000       1.282000      ?             ?      
1 1 1 32 16 50 o 2.291000       1.291000      ?             ?      
1 1 1 32 16 51 o 1.093000       1.242000      ?             ?      
1 1 1 32 16 52 o 0.2942000      1.240000      ?             ?      
1 1 1 32 16 53 o 0.7005000      1.153000      ?             ?      
1 1 1 32 16 54 o 0.5824000      1.254000      ?             ?      
1 1 1 32 16 55 o 0.6048000      1.275000      ?             ?      
1 1 1 32 16 56 o -0.6510000     1.461000      ?             ?      
1 1 1 32 16 57 o -0.4111000E-01 1.395000      ?             ?      
1 1 1 32 16 58 o -0.8458000     1.346000      ?             ?      
1 1 1 32 16 59 o 1.747000       1.218000      ?             ?      
1 1 1 32 16 60 o 1.399000       1.242000      ?             ?      
1 1 1 32 17 0  o 8.688000       1.474000      368.9939      0.0    
1 1 1 32 17 1  o 0.9563000      1.103000      106.2637      109.5  
1 1 1 32 17 2  o 2.023000       1.031000      166.5209      -150.9 
1 1 1 32 17 3  o 2.717000       1.077000      148.4647      -86.0  
1 1 1 32 17 4  o 0.7739000      1.400000      162.1448      -20.1  
1 1 1 32 17 5  o -2.974000      1.459000      14.92000      35.3   
1 1 1 32 17 6  o 4.693000       1.292000      308.9998      -55.7  
1 1 1 32 17 7  o -0.8816000     1.328000      175.1003      -79.8  
1 1 1 32 17 8  o 0.1208000      1.312000      169.2725      98.2   
1 1 1 32 17 9  o 1.704000       1.428000      84.98283      -124.0 
1 1 1 32 17 10 o 2.386000       1.282000      185.3982      -47.8  
1 1 1 32 17 11 o -1.291000      1.097000      136.6423      19.7   
1 1 1 32 17 12 o 0.2103000      1.101000      53.09294      -31.2  
1 1 1 32 17 13 o 7.758000       1.201000      325.5927      -122.0 
1 1 1 32 17 14 o 11.31000       1.230000      449.7370      -133.5 
1 1 1 32 17 15 o 2.636000       1.376000      288.3488      -76.8  
1 1 1 32 17 16 o 5.287000       1.309000      276.5419      -165.3 
1 1 1 32 17 17 o 2.192000       1.302000      117.4450      -133.4 
1 1 1 32 17 18 o 24.49000       1.612000      528.1958      -84.8  
1 1 1 32 17 19 o 0.1715000      1.359000      55.82846      28.7   
1 1 1 32 17 20 o 5.259000       1.244000      306.2909      -13.6  
1 1 1 32 17 21 o 10.41000       1.315000      460.3262      -143.8 
1 1 1 32 17 22 o 5.798000       1.197000      293.2990      -44.5  
1 1 1 32 17 23 o 3.907000       1.185000      236.5304      -11.1  
1 1 1 32 17 24 o 4.548000       1.165000      248.2046      73.6   
1 1 1 32 17 25 o 0.7619000      1.136000      109.6329      -13.4  
1 1 1 32 17 26 o -0.6505000     1.077000      185.1997      133.6  
1 1 1 32 17 27 o 0.3183000      1.109000      45.43093      21.1   
1 1 1 32 17 28 o 4.945000       1.224000      228.2803      -44.1  
1 1 1 32 17 29 o 4.748000       1.244000      204.3261      -163.1 
1 1 1 32 17 30 o 4.653000       1.321000      223.1268      168.8  
1 1 1 32 17 31 o -0.3406000     1.344000      179.9777      135.7  
1 1 1 32 17 32 o -0.6905000     1.246000      103.7054      20.9   
1 1 1 32 17 33 o 2.130000       1.265000      165.5247      -131.2 
1 1 1 32 17 34 o 2.548000       1.162000      305.8544      -91.2  
1 1 1 32 17 35 o 2.366000       1.140000      126.6759      -116.4 
1 1 1 32 17 36 o 3.231000       1.118000      128.7224      29.9   
1 1 1 32 17 37 o -0.1618000     1.224000      175.9597      131.3  
1 1 1 32 17 38 o 1.850000       1.342000      129.2004      -52.8  
1 1 1 32 17 39 o 0.8574000      1.209000      ?             ?      
1 1 1 32 17 40 o 2.790000       1.151000      ?             ?      
1 1 1 32 17 41 o 0.8393000      1.082000      ?             ?      
1 1 1 32 17 42 o 1.370000       1.091000      ?             ?      
1 1 1 32 17 43 o -0.8741000     1.088000      ?             ?      
1 1 1 32 17 44 o 2.498000       1.145000      ?             ?      
1 1 1 32 17 45 o -0.2130000     1.111000      ?             ?      
1 1 1 32 17 46 o 1.192000       1.093000      ?             ?      
1 1 1 32 17 47 o -0.6084000     1.078000      ?             ?      
1 1 1 32 17 48 o 1.707000       1.082000      ?             ?      
1 1 1 32 17 49 o 1.445000       1.106000      ?             ?      
1 1 1 32 17 50 o 2.030000       1.301000      ?             ?      
1 1 1 32 17 51 o 2.583000       1.397000      ?             ?      
1 1 1 32 17 52 o 0.2557000E-01  1.232000      ?             ?      
1 1 1 32 17 53 o 1.618000       1.157000      ?             ?      
1 1 1 32 17 54 o -0.5507000     1.240000      ?             ?      
1 1 1 32 17 55 o -0.7361000E-01 1.456000      ?             ?      
1 1 1 32 17 56 o 1.722000       1.628000      ?             ?      
1 1 1 32 17 57 o 2.649000       1.445000      ?             ?      
1 1 1 32 17 58 o 0.3198000      1.630000      ?             ?      
1 1 1 32 17 59 o -0.1166000     1.219000      ?             ?      
1 1 1 32 17 60 o 1.953000       1.233000      ?             ?      
1 1 1 32 18 0  o 0.9171000      1.407000      46.84804      0.0    
1 1 1 32 18 1  o 0.8933000      1.046000      139.9108      22.4   
1 1 1 32 18 2  o -0.5946000E-01 1.083000      166.1027      -62.2  
1 1 1 32 18 3  o 2.863000       1.251000      297.7610      55.4   
1 1 1 32 18 4  o 3.426000       1.200000      247.6237      -109.5 
1 1 1 32 18 5  o 11.10000       1.264000      379.9315      149.1  
1 1 1 32 18 6  o 7.504000       2.348000      120.7831      -35.2  
1 1 1 32 18 7  o 18.53000       2.447000      500.7749      -116.2 
1 1 1 32 18 8  o 0.5554000      1.290000      237.8399      177.3  
1 1 1 32 18 9  o 3.185000       1.164000      255.1894      175.0  
1 1 1 32 18 10 o 1.135000       1.098000      186.9446      41.6   
1 1 1 32 18 11 o 5.224000       1.113000      344.8991      -55.9  
1 1 1 32 18 12 o 10.57000       1.239000      416.4394      -5.9   
1 1 1 32 18 13 o 3.944000       1.176000      153.9259      -63.4  
1 1 1 32 18 14 o 2.237000       1.161000      212.0211      -8.0   
1 1 1 32 18 15 o 3.480000       1.590000      226.2975      -88.3  
1 1 1 32 18 16 o 2.144000       1.282000      193.4539      115.8  
1 1 1 32 18 17 o 6.805000       1.350000      298.2958      5.6    
1 1 1 32 18 18 o 11.15000       1.449000      454.3475      169.2  
1 1 1 32 18 19 o 0.1074000      1.358000      94.69630      -27.3  
1 1 1 32 18 20 o 2.321000       1.371000      236.4238      16.7   
1 1 1 32 18 21 o 1.493000       1.342000      125.2133      65.9   
1 1 1 32 18 22 o 10.96000       1.242000      436.9875      -153.7 
1 1 1 32 18 23 o 1.165000       1.150000      75.26612      -176.5 
1 1 1 32 18 24 o 1.873000       1.128000      56.34072      43.0   
1 1 1 32 18 25 o -0.2087000     1.101000      9.891902      -157.9 
1 1 1 32 18 26 o 3.288000       1.082000      125.0420      -72.5  
1 1 1 32 18 27 o -0.3999000     1.107000      69.68200      -33.6  
1 1 1 32 18 28 o 1.454000       1.223000      68.42728      157.4  
1 1 1 32 18 29 o 3.058000       1.246000      226.3539      -114.3 
1 1 1 32 18 30 o 5.361000       1.241000      260.2897      161.9  
1 1 1 32 18 31 o -0.1214000     1.293000      104.1225      -140.2 
1 1 1 32 18 32 o 1.722000       1.264000      135.6334      -64.3  
1 1 1 32 18 33 o 1.067000       1.260000      38.73130      81.2   
1 1 1 32 18 34 f 2.258000       1.266000      213.8535      -164.3 
1 1 1 32 18 35 o 2.560000       1.141000      140.3090      -120.8 
1 1 1 32 18 36 o 2.029000       1.168000      235.5052      -88.3  
1 1 1 32 18 37 o 0.3161000      1.230000      196.1569      -76.8  
1 1 1 32 18 38 o -1.118000      1.321000      62.11847      144.4  
1 1 1 32 18 39 o 1.546000       1.185000      ?             ?      
1 1 1 32 18 40 o 0.9661000      1.091000      ?             ?      
1 1 1 32 18 41 o -0.8743000     1.066000      ?             ?      
1 1 1 32 18 42 o 1.771000       1.076000      ?             ?      
1 1 1 32 18 43 o 0.1698000      1.077000      ?             ?      
1 1 1 32 18 44 o 0.5726000      1.091000      ?             ?      
1 1 1 32 18 45 o 0.9937000      1.098000      ?             ?      
1 1 1 32 18 46 o 0.4826000      1.077000      ?             ?      
1 1 1 32 18 47 o 0.3936000      1.075000      ?             ?      
1 1 1 32 18 48 o -0.1007000     1.086000      ?             ?      
1 1 1 32 18 49 o 0.2972000      1.108000      ?             ?      
1 1 1 32 18 50 o 1.060000       1.302000      ?             ?      
1 1 1 32 18 51 o -0.8998000     1.300000      ?             ?      
1 1 1 32 18 52 o 0.9369000      1.234000      ?             ?      
1 1 1 32 18 53 o 0.8533000      1.249000      ?             ?      
1 1 1 32 18 54 o -0.2598000     1.154000      ?             ?      
1 1 1 32 18 55 o 0.6425000      1.524000      ?             ?      
1 1 1 32 18 56 o -1.472000      1.750000      ?             ?      
1 1 1 32 18 57 f -2.360000      1.437000      ?             ?      
1 1 1 32 18 58 o 0.4452000      1.217000      ?             ?      
1 1 1 32 18 59 o 1.280000       1.220000      ?             ?      
1 1 1 32 19 0  o 4.195000       1.925000      353.8089      -0.0   
1 1 1 32 19 1  o 5.178000       1.300000      340.3260      125.5  
1 1 1 32 19 2  o 3.471000       1.256000      184.2990      137.8  
1 1 1 32 19 3  o 2.536000       1.235000      176.3613      -109.2 
1 1 1 32 19 4  o 4.857000       1.232000      264.3667      -166.4 
1 1 1 32 19 5  o 8.832000       1.302000      350.7008      10.7   
1 1 1 32 19 6  o 5.955000       1.280000      198.9488      -73.2  
1 1 1 32 19 7  o -0.8096000     1.254000      93.08565      -96.4  
1 1 1 32 19 8  o 5.268000       1.158000      366.1503      4.1    
1 1 1 32 19 9  o 5.319000       1.334000      257.3724      151.9  
1 1 1 32 19 10 o 0.1511000      1.185000      193.8923      99.7   
1 1 1 32 19 11 o 0.6701000      1.102000      189.4173      -45.3  
1 1 1 32 19 12 o 12.35000       1.285000      408.1487      -27.1  
1 1 1 32 19 13 o 3.939000       1.172000      269.2807      -167.5 
1 1 1 32 19 14 o 1.650000       1.173000      165.3475      -48.4  
1 1 1 32 19 15 o 0.3293000      1.258000      42.98340      80.4   
1 1 1 32 19 16 o 3.602000       1.285000      219.1698      -172.5 
1 1 1 32 19 17 o 20.11000       1.695000      491.0572      -120.3 
1 1 1 32 19 18 o 6.709000       1.347000      266.8142      -95.7  
1 1 1 32 19 19 o 2.218000       1.339000      155.5299      -100.2 
1 1 1 32 19 20 o 2.020000       1.354000      234.8397      38.7   
1 1 1 32 19 21 o 1.884000       1.592000      154.6664      -134.8 
1 1 1 32 19 22 o 6.847000       1.213000      329.3950      -62.4  
1 1 1 32 19 23 o 4.156000       1.136000      269.2024      -61.3  
1 1 1 32 19 24 o 1.341000       1.117000      192.1722      110.1  
1 1 1 32 19 25 o -0.5764000E-01 1.087000      54.26274      6.5    
1 1 1 32 19 26 o 0.8094000      1.124000      110.8290      -163.9 
1 1 1 32 19 27 o 0.7932000E-01  1.100000      104.6069      -93.2  
1 1 1 32 19 28 o 0.7892000      1.160000      252.0199      -126.1 
1 1 1 32 19 29 o 10.41000       1.291000      421.3735      -148.3 
1 1 1 32 19 30 o 1.381000       1.211000      115.8650      -134.0 
1 1 1 32 19 31 o 2.181000       1.210000      88.62809      120.2  
1 1 1 32 19 32 o 0.8651000      1.356000      82.06290      53.9   
1 1 1 32 19 33 o 4.182000       1.278000      313.6196      -114.8 
1 1 1 32 19 34 o -1.541000      1.238000      122.9662      -56.0  
1 1 1 32 19 35 o 0.8959000      1.137000      128.5717      -19.4  
1 1 1 32 19 36 o 2.507000       1.249000      165.3623      52.4   
1 1 1 32 19 37 o -0.3741000     1.346000      56.41079      127.7  
1 1 1 32 19 38 o 2.085000       1.207000      ?             ?      
1 1 1 32 19 39 o 0.8716000      1.107000      ?             ?      
1 1 1 32 19 40 o 1.854000       1.067000      ?             ?      
1 1 1 32 19 41 o -1.223000      1.043000      ?             ?      
1 1 1 32 19 42 o 0.5338000      1.053000      ?             ?      
1 1 1 32 19 43 o 0.7432000      1.076000      ?             ?      
1 1 1 32 19 44 o 7.359000       1.138000      ?             ?      
1 1 1 32 19 45 o -0.9962000     1.043000      ?             ?      
1 1 1 32 19 46 o 1.071000       1.084000      ?             ?      
1 1 1 32 19 47 o 0.5934000      1.089000      ?             ?      
1 1 1 32 19 48 o 0.3683000      1.107000      ?             ?      
1 1 1 32 19 49 o 0.5222000      1.109000      ?             ?      
1 1 1 32 19 50 o 4.058000       1.327000      ?             ?      
1 1 1 32 19 51 o -2.424000      1.281000      ?             ?      
1 1 1 32 19 52 o 0.7248000      1.225000      ?             ?      
1 1 1 32 19 53 o 1.392000       1.240000      ?             ?      
1 1 1 32 19 54 o 0.1048000E-01  1.311000      ?             ?      
1 1 1 32 19 55 o 1.576000       1.540000      ?             ?      
1 1 1 32 19 56 o 3.588000       1.814000      ?             ?      
1 1 1 32 19 57 o -0.4859000     1.366000      ?             ?      
1 1 1 32 19 58 o 0.6803000      1.312000      ?             ?      
1 1 1 32 19 59 o 0.3242000E-01  1.231000      ?             ?      
1 1 1 32 20 0  o 0.9922000      1.689000      210.4429      -180.0 
1 1 1 32 20 1  o -0.8959000     1.351000      96.06599      69.5   
1 1 1 32 20 2  o 4.937000       1.433000      311.8309      -83.7  
1 1 1 32 20 3  o 4.592000       1.411000      396.7368      171.1  
1 1 1 32 20 4  o -0.8471000     1.334000      77.26293      105.5  
1 1 1 32 20 5  o 5.247000       1.233000      266.0560      110.4  
1 1 1 32 20 6  o 5.295000       1.263000      310.2862      -89.3  
1 1 1 32 20 7  o 6.286000       1.274000      439.0458      -122.8 
1 1 1 32 20 8  o 0.7641000      1.106000      204.3244      139.9  
1 1 1 32 20 9  o 1.205000       1.082000      115.8318      -51.9  
1 1 1 32 20 10 o 5.345000       1.119000      280.7627      30.6   
1 1 1 32 20 11 o 0.8633000      1.158000      171.8905      52.2   
1 1 1 32 20 12 o 7.894000       1.374000      359.1062      73.0   
1 1 1 32 20 13 o 9.841000       1.378000      338.8191      14.6   
1 1 1 32 20 14 o 9.022000       1.375000      406.4420      -80.0  
1 1 1 32 20 15 o 0.7269000      1.305000      129.7249      -94.9  
1 1 1 32 20 16 o -1.995000      1.273000      211.4043      -100.3 
1 1 1 32 20 17 o 5.868000       1.328000      204.4630      8.9    
1 1 1 32 20 18 o 1.033000       1.294000      209.9583      -120.3 
1 1 1 32 20 19 o -0.8488000     1.322000      162.1167      102.3  
1 1 1 32 20 20 o 0.1697000      1.339000      185.6979      19.1   
1 1 1 32 20 21 o 0.7144000      1.597000      204.8360      117.5  
1 1 1 32 20 22 o -0.3474000     1.290000      27.80235      -12.6  
1 1 1 32 20 23 o -0.1923000     1.108000      30.11071      25.2   
1 1 1 32 20 24 o 0.3225000E-01  1.088000      82.21064      -164.5 
1 1 1 32 20 25 o 1.664000       1.108000      171.6914      -126.5 
1 1 1 32 20 26 o 2.699000       1.158000      231.6141      8.9    
1 1 1 32 20 27 o 0.7234000      1.103000      61.94976      -15.3  
1 1 1 32 20 28 o 4.490000       1.155000      304.1002      -52.6  
1 1 1 32 20 29 o 9.776000       1.289000      357.7243      -105.0 
1 1 1 32 20 30 o 0.9647000      1.189000      110.4069      130.4  
1 1 1 32 20 31 o 2.857000       1.209000      237.4135      -135.5 
1 1 1 32 20 32 o 3.318000       1.300000      188.2059      -30.0  
1 1 1 32 20 33 o 0.8289000      1.272000      142.1199      164.7  
1 1 1 32 20 34 o -1.153000      1.241000      67.26141      -39.0  
1 1 1 32 20 35 o 1.592000       1.300000      133.5368      -126.2 
1 1 1 32 20 36 o 2.035000       1.265000      245.4469      -46.8  
1 1 1 32 20 37 o 6.183000       1.408000      ?             ?      
1 1 1 32 20 38 o -1.823000      1.185000      ?             ?      
1 1 1 32 20 39 o 3.603000       1.080000      ?             ?      
1 1 1 32 20 40 o -0.8005000     1.048000      ?             ?      
1 1 1 32 20 41 o 0.1698000      1.036000      ?             ?      
1 1 1 32 20 42 o -0.8085000     1.049000      ?             ?      
1 1 1 32 20 43 o 1.261000       1.072000      ?             ?      
1 1 1 32 20 44 o -0.2248000     1.062000      ?             ?      
1 1 1 32 20 45 o -0.3012000     1.045000      ?             ?      
1 1 1 32 20 46 o -0.2326000     1.050000      ?             ?      
1 1 1 32 20 47 o 3.705000       1.108000      ?             ?      
1 1 1 32 20 48 o 1.432000       1.114000      ?             ?      
1 1 1 32 20 49 o 2.854000       1.122000      ?             ?      
1 1 1 32 20 50 o 0.5609000      1.123000      ?             ?      
1 1 1 32 20 51 o 3.000000       1.318000      ?             ?      
1 1 1 32 20 52 o -0.2426000     1.400000      ?             ?      
1 1 1 32 20 53 o 0.5725000      1.236000      ?             ?      
1 1 1 32 20 54 o 2.873000       1.332000      ?             ?      
1 1 1 32 20 55 o -0.4792000     1.381000      ?             ?      
1 1 1 32 20 56 o -1.753000      1.774000      ?             ?      
1 1 1 32 20 57 o -2.068000      1.367000      ?             ?      
1 1 1 32 20 58 o 1.527000       1.315000      ?             ?      
1 1 1 32 20 59 o 2.815000       2.382000      ?             ?      
1 1 1 32 21 0  o 4.948000       1.677000      380.8461      -0.0   
1 1 1 32 21 1  o -1.296000      1.208000      62.30284      68.9   
1 1 1 32 21 2  o 0.9493000      1.303000      240.5822      -170.8 
1 1 1 32 21 3  o -0.1669000     1.119000      147.9855      -162.6 
1 1 1 32 21 4  o -3.512000      1.351000      140.4640      120.8  
1 1 1 32 21 5  o 5.581000       1.360000      287.9469      35.2   
1 1 1 32 21 6  o 1.591000       1.335000      237.4991      -75.0  
1 1 1 32 21 7  o 4.122000       1.228000      282.6597      27.3   
1 1 1 32 21 8  o 3.239000       1.103000      274.2269      47.8   
1 1 1 32 21 9  o 7.847000       1.247000      402.7600      149.1  
1 1 1 32 21 10 o 0.5546000      1.085000      219.2815      -20.8  
1 1 1 32 21 11 o 1.402000       1.298000      199.2186      -144.7 
1 1 1 32 21 12 o 1.562000       1.305000      159.8305      99.0   
1 1 1 32 21 13 o 1.346000       1.293000      158.4141      146.4  
1 1 1 32 21 14 o 1.235000       1.160000      170.4724      28.8   
1 1 1 32 21 15 o 3.060000       1.327000      166.4939      -17.6  
1 1 1 32 21 16 o -0.5230000     1.555000      98.19815      98.9   
1 1 1 32 21 17 o 7.636000       1.342000      472.2963      -54.1  
1 1 1 32 21 18 o -0.2937000     1.312000      155.0313      -132.3 
1 1 1 32 21 19 o 2.270000       1.368000      224.2378      20.3   
1 1 1 32 21 20 o -2.236000      1.515000      97.27357      -119.4 
1 1 1 32 21 21 o 0.7829000      1.575000      81.39817      13.0   
1 1 1 32 21 22 o 4.058000       1.662000      201.7540      -85.9  
1 1 1 32 21 23 o 2.766000       1.291000      84.95778      -124.3 
1 1 1 32 21 24 o -1.455000      1.092000      95.98608      -86.8  
1 1 1 32 21 25 o 1.239000       1.134000      193.6989      137.7  
1 1 1 32 21 26 o 2.740000       1.169000      220.3541      -153.6 
1 1 1 32 21 27 o 1.209000       1.108000      56.85377      -145.0 
1 1 1 32 21 28 o 7.854000       1.147000      371.3317      -89.5  
1 1 1 32 21 29 o 3.183000       1.113000      129.3953      41.2   
1 1 1 32 21 30 o 4.372000       1.191000      219.9082      -61.5  
1 1 1 32 21 31 o 2.759000       1.194000      258.5720      69.4   
1 1 1 32 21 32 o 0.1352000      1.186000      145.9202      2.0    
1 1 1 32 21 33 o 0.2496000      1.337000      107.9788      125.1  
1 1 1 32 21 34 o 2.233000       1.285000      228.1091      -48.0  
1 1 1 32 21 35 o 5.294000       1.347000      219.4202      36.1   
1 1 1 32 21 36 o -0.3445000     1.367000      119.4718      -164.5 
1 1 1 32 21 37 o 1.769000       1.220000      ?             ?      
1 1 1 32 21 38 o 1.123000       1.119000      ?             ?      
1 1 1 32 21 39 o 1.933000       1.070000      ?             ?      
1 1 1 32 21 40 o 1.977000       1.048000      ?             ?      
1 1 1 32 21 41 o -0.5999000     1.028000      ?             ?      
1 1 1 32 21 42 o 0.8276000      1.039000      ?             ?      
1 1 1 32 21 43 o 2.825000       1.059000      ?             ?      
1 1 1 32 21 44 o 2.975000       1.063000      ?             ?      
1 1 1 32 21 45 o 2.090000       1.039000      ?             ?      
1 1 1 32 21 46 o 0.2651000      1.027000      ?             ?      
1 1 1 32 21 47 o 1.831000       1.037000      ?             ?      
1 1 1 32 21 48 o -1.258000      1.085000      ?             ?      
1 1 1 32 21 49 o 1.074000       1.123000      ?             ?      
1 1 1 32 21 50 o -0.6116000     1.091000      ?             ?      
1 1 1 32 21 51 o 0.5126000      1.307000      ?             ?      
1 1 1 32 21 52 o 1.040000       1.411000      ?             ?      
1 1 1 32 21 53 o 0.8518000      1.472000      ?             ?      
1 1 1 32 21 54 o 0.5811000      1.534000      ?             ?      
1 1 1 32 21 55 o -1.091000      1.303000      ?             ?      
1 1 1 32 21 56 o 1.087000       1.288000      ?             ?      
1 1 1 32 21 57 o -1.362000      1.289000      ?             ?      
1 1 1 32 21 58 o 0.4958000      1.397000      ?             ?      
1 1 1 32 22 0  o 0.7868000      1.633000      70.16744      -0.0   
1 1 1 32 22 1  o -0.5096000     1.264000      150.9762      147.3  
1 1 1 32 22 2  o 0.8739000E-01  1.403000      95.77106      -99.3  
1 1 1 32 22 3  o 6.055000       1.448000      356.2405      -139.9 
1 1 1 32 22 4  o 1.336000       1.379000      162.7118      7.7    
1 1 1 32 22 5  o 0.3805000      1.330000      180.6718      85.4   
1 1 1 32 22 6  o -2.051000      1.142000      28.23766      -87.9  
1 1 1 32 22 7  o 1.262000       1.199000      175.6559      174.4  
1 1 1 32 22 8  o 1.149000       1.459000      75.40915      117.5  
1 1 1 32 22 9  o 1.155000       1.301000      224.1399      20.9   
1 1 1 32 22 10 o 2.617000       1.172000      235.4622      106.3  
1 1 1 32 22 11 o 5.367000       1.358000      310.4618      90.8   
1 1 1 32 22 12 o 3.533000       1.341000      324.1156      73.1   
1 1 1 32 22 13 o 1.089000       1.282000      103.8157      47.7   
1 1 1 32 22 14 o -0.2610000     1.144000      227.9978      -165.2 
1 1 1 32 22 15 o 0.6314000      1.139000      183.5653      107.9  
1 1 1 32 22 16 o 4.835000       1.291000      261.9393      24.3   
1 1 1 32 22 17 o -1.010000      1.282000      78.79292      146.9  
1 1 1 32 22 18 o -2.162000      1.606000      141.9426      48.3   
1 1 1 32 22 19 o -0.9451000     1.627000      97.89265      95.6   
1 1 1 32 22 20 o 1.020000       1.553000      189.9346      120.2  
1 1 1 32 22 21 o 3.211000       1.801000      138.1757      178.9  
1 1 1 32 22 22 o -0.6114000     1.712000      41.69148      -92.8  
1 1 1 32 22 23 o 0.6379000      1.322000      99.83394      -57.2  
1 1 1 32 22 24 o 0.2904000      1.289000      100.3821      -98.9  
1 1 1 32 22 25 o -0.2158000     1.149000      181.4008      56.2   
1 1 1 32 22 26 o 1.303000       1.158000      70.79185      -63.6  
1 1 1 32 22 27 o 3.118000       1.129000      215.2606      -29.1  
1 1 1 32 22 28 o 0.3837000      1.099000      159.7150      -69.0  
1 1 1 32 22 29 o 1.907000       1.117000      109.9151      157.6  
1 1 1 32 22 30 f -0.3397000     1.111000      242.5685      111.9  
1 1 1 32 22 31 o 0.1520000      1.168000      80.74560      -90.6  
1 1 1 32 22 32 o 3.600000       1.194000      269.8934      135.9  
1 1 1 32 22 33 o 2.362000       1.200000      230.5193      117.2  
1 1 1 32 22 34 o -0.4901000     1.370000      112.5363      -43.4  
1 1 1 32 22 35 o 1.693000       1.596000      116.5669      130.7  
1 1 1 32 22 36 o -1.067000      1.498000      ?             ?      
1 1 1 32 22 37 o 1.390000       1.170000      ?             ?      
1 1 1 32 22 38 o -0.4318000     1.071000      ?             ?      
1 1 1 32 22 39 o -0.6171000     1.057000      ?             ?      
1 1 1 32 22 40 o 0.8343000E-01  1.049000      ?             ?      
1 1 1 32 22 41 o 2.399000       1.044000      ?             ?      
1 1 1 32 22 42 o 0.9882000      1.020000      ?             ?      
1 1 1 32 22 43 o 1.571000       1.034000      ?             ?      
1 1 1 32 22 44 o 0.6752000      1.033000      ?             ?      
1 1 1 32 22 45 o 2.065000       1.030000      ?             ?      
1 1 1 32 22 46 o 1.370000       1.029000      ?             ?      
1 1 1 32 22 47 o 0.9305000      1.034000      ?             ?      
1 1 1 32 22 48 o -1.208000      1.042000      ?             ?      
1 1 1 32 22 49 o 3.435000       1.118000      ?             ?      
1 1 1 32 22 50 o -0.1516000     1.073000      ?             ?      
1 1 1 32 22 51 o 0.9085000      1.311000      ?             ?      
1 1 1 32 22 52 o -1.050000      1.336000      ?             ?      
1 1 1 32 22 53 o 2.669000       1.471000      ?             ?      
1 1 1 32 22 54 o 0.2553000      1.509000      ?             ?      
1 1 1 32 22 55 o 0.7115000      1.745000      ?             ?      
1 1 1 32 22 56 o -0.8047000     1.171000      ?             ?      
1 1 1 32 22 57 o -1.106000      1.283000      ?             ?      
1 1 1 32 22 58 o -2.595000      2.914000      ?             ?      
1 1 1 32 23 0  o 5.429000       1.585000      399.9958      0.0    
1 1 1 32 23 1  o 1.096000       1.396000      195.4220      -176.7 
1 1 1 32 23 2  o 2.868000       1.408000      167.7238      65.9   
1 1 1 32 23 3  o 2.561000       1.401000      303.1560      82.4   
1 1 1 32 23 4  o -0.5687000     1.364000      56.71248      50.7   
1 1 1 32 23 5  o 2.169000       1.156000      186.7200      69.3   
1 1 1 32 23 6  o 0.7674000      1.154000      215.7815      44.8   
1 1 1 32 23 7  o 4.303000       1.107000      294.0643      85.0   
1 1 1 32 23 8  o 5.934000       1.180000      240.0717      -168.9 
1 1 1 32 23 9  o 0.9531000      1.162000      173.2014      75.5   
1 1 1 32 23 10 o 1.114000       1.562000      125.2069      142.7  
1 1 1 32 23 11 o 6.830000       2.276000      342.4567      176.7  
1 1 1 32 23 12 o 1.054000       1.582000      134.8632      99.7   
1 1 1 32 23 13 o 0.4287000      1.279000      87.80657      -108.8 
1 1 1 32 23 14 o 0.7494000E-01  1.146000      7.499896      40.0   
1 1 1 32 23 15 o 1.646000       1.163000      208.9284      66.9   
1 1 1 32 23 16 o 1.189000       1.299000      133.7515      23.4   
1 1 1 32 23 17 o 5.406000       1.324000      217.8502      -39.8  
1 1 1 32 23 18 o 1.112000       1.330000      172.4421      -149.5 
1 1 1 32 23 19 o 0.1698000      1.339000      120.5838      51.4   
1 1 1 32 23 20 o 2.777000       1.632000      210.9326      -102.5 
1 1 1 32 23 21 o -0.7027000     2.226000      67.29641      38.4   
1 1 1 32 23 22 o -0.3260000     2.237000      77.66530      8.2    
1 1 1 32 23 23 o 0.9693000      1.356000      202.8838      -98.8  
1 1 1 32 23 24 o -0.1204000     1.413000      106.3317      44.2   
1 1 1 32 23 25 o 0.3879000      1.427000      143.2395      155.8  
1 1 1 32 23 26 o 12.35000       1.265000      391.4432      174.7  
1 1 1 32 23 27 o 1.632000       1.133000      207.5101      -66.4  
1 1 1 32 23 28 o 0.8435000      1.113000      118.9748      -157.3 
1 1 1 32 23 29 o 4.471000       1.137000      306.4086      49.7   
1 1 1 32 23 30 o 2.141000       1.114000      221.4605      -63.3  
1 1 1 32 23 31 o 3.321000       1.185000      227.5764      118.9  
1 1 1 32 23 32 o -2.002000      1.163000      71.41605      125.9  
1 1 1 32 23 33 o 0.6021000      1.193000      48.74152      -157.4 
1 1 1 32 23 34 o -0.2928000     1.306000      110.8174      -25.4  
1 1 1 32 23 35 o 4.966000       1.587000      ?             ?      
1 1 1 32 23 36 o 5.152000       1.573000      ?             ?      
1 1 1 32 23 37 o -0.9529000     1.256000      ?             ?      
1 1 1 32 23 38 o 1.174000       1.058000      ?             ?      
1 1 1 32 23 39 o 3.527000       1.078000      ?             ?      
1 1 1 32 23 40 o 1.395000       1.041000      ?             ?      
1 1 1 32 23 41 o 0.4799000      1.031000      ?             ?      
1 1 1 32 23 42 o 0.7500000      1.012000      ?             ?      
1 1 1 32 23 43 o 0.2877000      1.013000      ?             ?      
1 1 1 32 23 44 o 0.8748000      1.005000      ?             ?      
1 1 1 32 23 45 o 0.8612000      1.009000      ?             ?      
1 1 1 32 23 46 o -0.8934000     1.020000      ?             ?      
1 1 1 32 23 47 o 0.4616000E-01  1.043000      ?             ?      
1 1 1 32 23 48 o 1.398000       1.061000      ?             ?      
1 1 1 32 23 49 o 2.833000       1.064000      ?             ?      
1 1 1 32 23 50 o -1.036000      1.076000      ?             ?      
1 1 1 32 23 51 o 2.109000       1.133000      ?             ?      
1 1 1 32 23 52 o 2.066000       1.571000      ?             ?      
1 1 1 32 23 53 o 1.434000       1.774000      ?             ?      
1 1 1 32 23 54 o 2.334000       1.446000      ?             ?      
1 1 1 32 23 55 o 0.2732000      1.219000      ?             ?      
1 1 1 32 23 56 o 1.895000       1.273000      ?             ?      
1 1 1 32 23 57 o 0.7044000      1.299000      ?             ?      
1 1 1 32 24 0  o -1.378000      1.610000      5.650203      -180.0 
1 1 1 32 24 1  o 4.799000       1.355000      386.3794      125.1  
1 1 1 32 24 2  o 3.925000       1.327000      204.8251      -129.0 
1 1 1 32 24 3  o 4.446000       1.389000      385.1036      -152.8 
1 1 1 32 24 4  o 0.2180000      1.143000      154.1833      103.0  
1 1 1 32 24 5  o -0.6447000E-01 1.135000      172.7804      81.9   
1 1 1 32 24 6  o 4.381000       1.092000      311.1719      -104.7 
1 1 1 32 24 7  o -0.3235000     1.115000      37.79908      41.1   
1 1 1 32 24 8  o 1.157000       1.136000      37.50804      115.4  
1 1 1 32 24 9  o 1.011000       1.139000      77.69572      37.9   
1 1 1 32 24 10 o 6.032000       1.380000      444.8578      131.4  
1 1 1 32 24 11 o 2.915000       1.307000      98.00132      110.9  
1 1 1 32 24 12 o -0.2165000E-01 1.516000      98.31666      26.9   
1 1 1 32 24 13 o -1.052000      1.300000      45.14838      110.2  
1 1 1 32 24 14 o 0.4213000      1.341000      192.7713      140.3  
1 1 1 32 24 15 o 1.202000       1.317000      188.8160      15.3   
1 1 1 32 24 16 o 4.667000       1.348000      293.7979      46.9   
1 1 1 32 24 17 o 2.909000       1.349000      218.6386      131.6  
1 1 1 32 24 18 o 3.204000       1.385000      213.8928      24.3   
1 1 1 32 24 19 o 0.1548000      1.357000      109.5207      -48.6  
1 1 1 32 24 20 o -0.9544000     1.571000      194.0131      178.6  
1 1 1 32 24 21 o 0.4491000      1.593000      26.97840      14.8   
1 1 1 32 24 22 o 5.387000       1.709000      356.7216      57.3   
1 1 1 32 24 23 o -0.7639000     1.397000      162.8000      102.0  
1 1 1 32 24 24 o 2.105000       1.555000      316.2305      -89.6  
1 1 1 32 24 25 o 0.9543000      1.456000      218.0441      -93.0  
1 1 1 32 24 26 o 1.622000       1.358000      145.5700      -26.7  
1 1 1 32 24 27 o 0.6395000      1.189000      136.3503      -44.7  
1 1 1 32 24 28 o -0.8495000     1.178000      120.3436      143.9  
1 1 1 32 24 29 o -0.1952000     1.101000      110.4254      145.9  
1 1 1 32 24 30 o -0.1286000     1.096000      158.7185      92.6   
1 1 1 32 24 31 o 0.2515000      1.091000      94.99045      -59.8  
1 1 1 32 24 32 o 2.850000       1.178000      306.5669      167.3  
1 1 1 32 24 33 o -0.4949000E-01 1.186000      139.3334      142.4  
1 1 1 32 24 34 o -0.8044000     1.507000      ?             ?      
1 1 1 32 24 35 o 1.343000       1.859000      ?             ?      
1 1 1 32 24 36 o -1.576000      1.604000      ?             ?      
1 1 1 32 24 37 o 0.7536000      1.273000      ?             ?      
1 1 1 32 24 38 o 0.5262000      1.063000      ?             ?      
1 1 1 32 24 39 o 0.4645000      1.039000      ?             ?      
1 1 1 32 24 40 o 1.072000       1.022000      ?             ?      
1 1 1 32 24 41 o 1.816000       1.021000      ?             ?      
1 1 1 32 24 42 o 2.186000       1.027000      ?             ?      
1 1 1 32 24 43 o 1.444000       1.007000      ?             ?      
1 1 1 32 24 44 o 0.1729000      0.9993000     ?             ?      
1 1 1 32 24 45 o 0.5287000      1.007000      ?             ?      
1 1 1 32 24 46 o -0.2669000     1.012000      ?             ?      
1 1 1 32 24 47 o 1.057000       1.048000      ?             ?      
1 1 1 32 24 48 o 0.3849000      1.044000      ?             ?      
1 1 1 32 24 49 o -0.4425000     1.030000      ?             ?      
1 1 1 32 24 50 o 1.556000       1.036000      ?             ?      
1 1 1 32 24 51 o -0.4450000     1.059000      ?             ?      
1 1 1 32 24 52 o 1.321000       1.552000      ?             ?      
1 1 1 32 24 53 o -2.270000      2.068000      ?             ?      
1 1 1 32 24 54 o 0.7537000      1.548000      ?             ?      
1 1 1 32 24 55 o 2.322000       1.285000      ?             ?      
1 1 1 32 24 56 o -5.238000      1.767000      ?             ?      
1 1 1 32 24 57 o -2.767000      2.354000      ?             ?      
1 1 1 32 25 0  o 1.237000       1.628000      382.7839      -180.0 
1 1 1 32 25 1  o -0.3679000     1.173000      50.22484      62.6   
1 1 1 32 25 2  o 1.769000       1.330000      120.8664      45.4   
1 1 1 32 25 3  o -0.3297000     1.141000      73.29136      -100.4 
1 1 1 32 25 4  o -0.4515000     1.123000      39.62997      137.6  
1 1 1 32 25 5  o 3.876000       1.066000      348.3810      43.7   
1 1 1 32 25 6  o 0.9000000      1.043000      140.8458      25.4   
1 1 1 32 25 7  o 1.832000       1.109000      86.74396      69.8   
1 1 1 32 25 8  o 0.1239000      1.104000      124.8858      -175.3 
1 1 1 32 25 9  o 0.1418000E-01  1.145000      29.93291      -153.6 
1 1 1 32 25 10 o 0.4075000      1.278000      47.89262      -147.0 
1 1 1 32 25 11 o 2.277000       1.260000      77.91847      -177.2 
1 1 1 32 25 12 o 0.6073000      1.281000      160.1978      73.9   
1 1 1 32 25 13 o 1.406000       1.176000      85.13522      31.0   
1 1 1 32 25 14 o 3.009000       1.219000      239.7261      164.3  
1 1 1 32 25 15 o 2.432000       1.333000      276.7802      70.8   
1 1 1 32 25 16 o 2.381000       1.609000      192.7146      21.2   
1 1 1 32 25 17 o -0.1200000     1.591000      117.3060      118.7  
1 1 1 32 25 18 o 1.857000       1.400000      201.1140      148.1  
1 1 1 32 25 19 o -3.099000      1.588000      103.3722      29.4   
1 1 1 32 25 20 o 1.370000       1.552000      116.3653      -145.9 
1 1 1 32 25 21 o 2.739000       1.641000      143.4566      169.3  
1 1 1 32 25 22 o 1.986000       1.654000      121.5323      105.0  
1 1 1 32 25 23 o 0.8479000      1.348000      118.0716      -106.5 
1 1 1 32 25 24 o 1.747000       1.465000      246.8511      1.6    
1 1 1 32 25 25 o -1.365000      1.321000      47.37848      86.0   
1 1 1 32 25 26 o 4.511000       1.308000      214.1554      134.3  
1 1 1 32 25 27 o -0.4420000     1.465000      117.7537      -145.9 
1 1 1 32 25 28 o 1.427000       1.141000      68.43669      -137.7 
1 1 1 32 25 29 o -0.8558000     1.087000      46.79821      64.9   
1 1 1 32 25 30 o -0.6944000     1.168000      94.03746      -10.1  
1 1 1 32 25 31 o 0.7704000      1.169000      186.7909      129.7  
1 1 1 32 25 32 o 1.417000       1.142000      125.8385      -110.7 
1 1 1 32 25 33 o -0.7177000     1.186000      ?             ?      
1 1 1 32 25 34 o 2.151000       1.451000      ?             ?      
1 1 1 32 25 35 o 0.6293000      1.505000      ?             ?      
1 1 1 32 25 36 o -0.6906000     1.294000      ?             ?      
1 1 1 32 25 37 o -0.1292000     1.189000      ?             ?      
1 1 1 32 25 38 o -1.261000      1.157000      ?             ?      
1 1 1 32 25 39 o 1.397000       1.028000      ?             ?      
1 1 1 32 25 40 o 0.6078000      0.9961000     ?             ?      
1 1 1 32 25 41 o -2.141000      0.9934000     ?             ?      
1 1 1 32 25 42 o 0.3866000      0.9979000     ?             ?      
1 1 1 32 25 43 o -0.1182000     0.9963000     ?             ?      
1 1 1 32 25 44 o 1.854000       1.093000      ?             ?      
1 1 1 32 25 45 o 0.5664000      0.9983000     ?             ?      
1 1 1 32 25 46 o -0.5719000     1.013000      ?             ?      
1 1 1 32 25 47 o 1.298000       1.026000      ?             ?      
1 1 1 32 25 48 o 0.2861000      1.029000      ?             ?      
1 1 1 32 25 49 o 1.706000       1.045000      ?             ?      
1 1 1 32 25 50 o -1.216000      1.041000      ?             ?      
1 1 1 32 25 51 o -0.4719000     1.099000      ?             ?      
1 1 1 32 25 52 o 0.1764000      2.354000      ?             ?      
1 1 1 32 25 53 o 0.3460000      1.613000      ?             ?      
1 1 1 32 25 54 o -0.2489000     1.735000      ?             ?      
1 1 1 32 25 55 o -0.8443000     1.261000      ?             ?      
1 1 1 32 25 56 o 1.362000       1.184000      ?             ?      
1 1 1 32 26 0  o -0.9383000E-01 1.726000      65.99503      -0.0   
1 1 1 32 26 1  o 0.9181000      1.292000      73.83743      -131.4 
1 1 1 32 26 2  o 1.516000       1.354000      150.7813      -131.9 
1 1 1 32 26 3  o -0.9204000     1.168000      23.31609      119.9  
1 1 1 32 26 4  o 0.3548000E-01  1.050000      127.0025      146.7  
1 1 1 32 26 5  o 0.5856000      1.059000      174.2717      178.4  
1 1 1 32 26 6  o 0.7292000      1.071000      64.59608      162.1  
1 1 1 32 26 7  o 0.5841000      1.075000      84.44179      95.8   
1 1 1 32 26 8  o 0.3950000E-01  1.124000      170.9506      -164.4 
1 1 1 32 26 9  o -1.304000      1.272000      151.5691      34.6   
1 1 1 32 26 10 o 0.3008000      1.242000      117.3742      157.2  
1 1 1 32 26 11 o -0.6176000     1.261000      115.5284      57.7   
1 1 1 32 26 12 o 2.333000       1.190000      191.7401      -102.7 
1 1 1 32 26 13 o 2.111000       1.189000      283.5713      -146.2 
1 1 1 32 26 14 o 0.9510000      1.163000      143.9378      140.1  
1 1 1 32 26 15 o 1.015000       1.190000      45.72309      11.4   
1 1 1 32 26 16 o 1.040000       1.345000      185.9361      110.6  
1 1 1 32 26 17 o -1.078000      1.375000      132.8073      173.4  
1 1 1 32 26 18 o 1.756000       1.586000      45.64003      -16.5  
1 1 1 32 26 19 o -1.090000      2.185000      124.5534      -79.0  
1 1 1 32 26 20 o 2.481000       2.201000      19.68251      131.7  
1 1 1 32 26 21 o -3.702000      1.749000      145.6825      28.5   
1 1 1 32 26 22 o 3.587000       1.634000      139.5065      28.0   
1 1 1 32 26 23 o 0.3630000E-01  1.341000      159.2154      177.4  
1 1 1 32 26 24 o 0.6001000E-01  1.350000      215.4724      -81.4  
1 1 1 32 26 25 o 0.7806000      1.315000      41.16529      -44.7  
1 1 1 32 26 26 o 0.8390000      1.246000      31.86381      -87.7  
1 1 1 32 26 27 o -0.7683000     1.258000      100.1413      -31.7  
1 1 1 32 26 28 o 1.697000       1.290000      137.5179      -156.6 
1 1 1 32 26 29 o 3.068000       1.105000      255.3981      57.4   
1 1 1 32 26 30 o 0.8640000E-01  1.134000      98.04376      -16.6  
1 1 1 32 26 31 o -1.125000      1.179000      22.92666      -83.1  
1 1 1 32 26 32 o 0.7846000      1.128000      ?             ?      
1 1 1 32 26 33 o -0.2955000E-01 1.445000      ?             ?      
1 1 1 32 26 34 o 3.049000       1.433000      ?             ?      
1 1 1 32 26 35 o -2.571000      1.167000      ?             ?      
1 1 1 32 26 36 o 0.3001000      1.362000      ?             ?      
1 1 1 32 26 37 o 1.495000       1.201000      ?             ?      
1 1 1 32 26 38 o 1.259000       1.165000      ?             ?      
1 1 1 32 26 39 o 0.7936000      1.142000      ?             ?      
1 1 1 32 26 40 o -0.3984000     1.001000      ?             ?      
1 1 1 32 26 41 o 0.4594000      0.9954000     ?             ?      
1 1 1 32 26 42 o -0.1277000     0.9891000     ?             ?      
1 1 1 32 26 43 o -0.5900000     0.9811000     ?             ?      
1 1 1 32 26 44 o 1.144000       0.9897000     ?             ?      
1 1 1 32 26 45 o 0.4815000      1.012000      ?             ?      
1 1 1 32 26 46 o 0.1605000      1.011000      ?             ?      
1 1 1 32 26 47 o 1.769000       1.021000      ?             ?      
1 1 1 32 26 48 o -1.191000      1.018000      ?             ?      
1 1 1 32 26 49 o -1.990000      1.031000      ?             ?      
1 1 1 32 26 50 o -1.228000      1.154000      ?             ?      
1 1 1 32 26 51 o 0.4825000      1.222000      ?             ?      
1 1 1 32 26 52 o -1.535000      1.530000      ?             ?      
1 1 1 32 26 53 o 1.246000       1.584000      ?             ?      
1 1 1 32 26 54 o 0.7524000      1.442000      ?             ?      
1 1 1 32 26 55 o -1.351000      1.231000      ?             ?      
1 1 1 32 27 0  o -0.5154000     2.132000      25.99873      180.0  
1 1 1 32 27 1  o -1.967000      1.290000      84.37428      76.8   
1 1 1 32 27 2  o 3.534000       1.339000      213.5392      -106.1 
1 1 1 32 27 3  o 2.176000       1.146000      285.0864      -80.2  
1 1 1 32 27 4  o 1.198000       1.116000      95.04143      -120.8 
1 1 1 32 27 5  o -0.2978000     1.077000      105.0558      17.1   
1 1 1 32 27 6  o -0.2080000     1.118000      68.40102      -77.8  
1 1 1 32 27 7  o -0.9722000     1.112000      60.53236      40.2   
1 1 1 32 27 8  o 0.1853000      1.145000      106.4691      122.1  
1 1 1 32 27 9  o -0.4542000     1.294000      170.2419      -114.0 
1 1 1 32 27 10 o 1.962000       1.277000      72.64041      80.6   
1 1 1 32 27 11 o -0.7766000     1.303000      157.6706      -32.8  
1 1 1 32 27 12 o 1.325000       1.189000      156.8982      133.6  
1 1 1 32 27 13 o 0.9592000      1.177000      216.0715      -30.8  
1 1 1 32 27 14 f -0.8069000     1.173000      103.2997      -97.8  
1 1 1 32 27 15 o -0.7151000     1.178000      72.18602      62.0   
1 1 1 32 27 16 o -0.5580000     1.196000      68.09927      166.6  
1 1 1 32 27 17 o -0.1696000     1.358000      16.46469      -176.2 
1 1 1 32 27 18 o -0.3230000     1.410000      99.27670      -67.0  
1 1 1 32 27 19 o 0.9453000      1.644000      69.66052      107.1  
1 1 1 32 27 20 o -0.9469000     1.685000      55.27094      -37.3  
1 1 1 32 27 21 o -0.4256000     1.771000      91.39789      120.8  
1 1 1 32 27 22 o -0.3948000     2.245000      67.01995      38.5   
1 1 1 32 27 23 o -1.173000      1.486000      120.1906      -66.8  
1 1 1 32 27 24 o -0.7686000     1.346000      116.0219      -28.0  
1 1 1 32 27 25 o 1.831000       1.330000      121.0245      119.7  
1 1 1 32 27 26 o -0.8661000E-01 1.253000      116.1622      149.3  
1 1 1 32 27 27 o 2.282000       1.260000      156.1985      -83.3  
1 1 1 32 27 28 o 1.385000       1.235000      164.3837      106.1  
1 1 1 32 27 29 o 0.4881000      1.280000      78.57716      110.3  
1 1 1 32 27 30 o -1.423000      1.057000      89.65382      98.3   
1 1 1 32 27 31 o 0.5063000      1.094000      ?             ?      
1 1 1 32 27 32 o -3.031000      1.152000      ?             ?      
1 1 1 32 27 33 o 1.996000       1.270000      ?             ?      
1 1 1 32 27 34 o 1.536000       1.328000      ?             ?      
1 1 1 32 27 35 o 1.692000       1.162000      ?             ?      
1 1 1 32 27 36 o -0.1217000     1.233000      ?             ?      
1 1 1 32 27 37 o -1.010000      1.421000      ?             ?      
1 1 1 32 27 38 o 1.260000       1.163000      ?             ?      
1 1 1 32 27 39 o 0.3448000      1.142000      ?             ?      
1 1 1 32 27 40 o -1.144000      1.005000      ?             ?      
1 1 1 32 27 41 o 1.585000       0.9998000     ?             ?      
1 1 1 32 27 42 o 1.311000       0.9860000     ?             ?      
1 1 1 32 27 43 o -0.2833000E-01 0.9770000     ?             ?      
1 1 1 32 27 44 o -0.4031000     0.9825000     ?             ?      
1 1 1 32 27 45 o -0.4629000     1.006000      ?             ?      
1 1 1 32 27 46 o 0.7175000      1.026000      ?             ?      
1 1 1 32 27 47 o 1.377000       1.026000      ?             ?      
1 1 1 32 27 48 o 1.337000       1.134000      ?             ?      
1 1 1 32 27 49 o 1.321000       1.077000      ?             ?      
1 1 1 32 27 50 o 0.1496000      1.142000      ?             ?      
1 1 1 32 27 51 o 1.573000       1.269000      ?             ?      
1 1 1 32 27 52 o 0.6900000      1.184000      ?             ?      
1 1 1 32 27 53 o 0.5015000      1.470000      ?             ?      
1 1 1 32 27 54 o 2.011000       1.402000      ?             ?      
1 1 1 32 27 55 o -0.4021000     2.182000      ?             ?      
1 1 1 32 28 0  o -2.345000      2.178000      76.22108      -0.0   
1 1 1 32 28 1  o -1.530000      1.889000      70.55859      39.3   
1 1 1 32 28 2  o 0.3561000      1.262000      118.4296      -34.8  
1 1 1 32 28 3  o 0.2901000      1.118000      141.1471      12.4   
1 1 1 32 28 4  o 0.7923000      1.120000      141.8434      126.1  
1 1 1 32 28 5  o 1.014000       1.093000      34.21518      -94.9  
1 1 1 32 28 6  o 1.439000       1.133000      176.4231      128.4  
1 1 1 32 28 7  o 1.225000       1.149000      98.03942      -90.9  
1 1 1 32 28 8  o -2.306000      1.298000      57.82401      -54.5  
1 1 1 32 28 9  o -0.7157000     1.291000      139.0590      85.0   
1 1 1 32 28 10 o -0.6681000     1.273000      68.76720      -5.7   
1 1 1 32 28 11 o -0.3482000     1.309000      99.99382      142.1  
1 1 1 32 28 12 o 0.2598000      1.155000      29.83863      -133.8 
1 1 1 32 28 13 o -1.136000      1.188000      71.69027      -80.4  
1 1 1 32 28 14 o 0.3506000      1.224000      173.5915      57.2   
1 1 1 32 28 15 o 1.053000       1.262000      83.03771      172.9  
1 1 1 32 28 16 o 1.260000       1.289000      190.3309      -29.2  
1 1 1 32 28 17 o 0.5737000      1.418000      32.60802      -2.5   
1 1 1 32 28 18 o 0.8086000      1.401000      104.4878      52.3   
1 1 1 32 28 19 o -2.327000      1.630000      128.4839      21.3   
1 1 1 32 28 20 o -0.7366000     1.684000      124.0553      -166.5 
1 1 1 32 28 21 o 2.199000       1.776000      135.4249      -14.2  
1 1 1 32 28 22 o 1.080000       1.501000      100.5369      -46.5  
1 1 1 32 28 23 o -0.9327000     1.484000      168.7268      99.1   
1 1 1 32 28 24 o -0.3256000     1.411000      98.12347      -45.3  
1 1 1 32 28 25 o 1.426000       1.491000      48.64320      -36.9  
1 1 1 32 28 26 o 1.633000       1.421000      87.36758      -160.4 
1 1 1 32 28 27 o -0.6439000     1.272000      93.17133      70.2   
1 1 1 32 28 28 o -0.6665000E-02 1.235000      39.40060      -39.6  
1 1 1 32 28 29 o -0.3169000     1.217000      46.12652      57.8   
1 1 1 32 28 30 o -1.478000      1.366000      ?             ?      
1 1 1 32 28 31 o -1.131000      1.079000      ?             ?      
1 1 1 32 28 32 o 0.7418000      1.222000      ?             ?      
1 1 1 32 28 33 o -0.1540000     1.229000      ?             ?      
1 1 1 32 28 34 o -0.5523000     1.118000      ?             ?      
1 1 1 32 28 35 o 0.4114000      1.148000      ?             ?      
1 1 1 32 28 36 o -1.908000      1.120000      ?             ?      
1 1 1 32 28 37 o -0.2917000     1.130000      ?             ?      
1 1 1 32 28 38 o 0.6831000      1.172000      ?             ?      
1 1 1 32 28 39 o -0.4024000     1.242000      ?             ?      
1 1 1 32 28 40 o 0.3153000      1.229000      ?             ?      
1 1 1 32 28 41 o -1.720000      1.406000      ?             ?      
1 1 1 32 28 42 o -0.5440000     0.9943000     ?             ?      
1 1 1 32 28 43 o 0.5302000      0.9803000     ?             ?      
1 1 1 32 28 44 o 1.378000       0.9890000     ?             ?      
1 1 1 32 28 45 o -2.432000      1.010000      ?             ?      
1 1 1 32 28 46 o 1.200000       1.150000      ?             ?      
1 1 1 32 28 47 o 0.4711000      1.128000      ?             ?      
1 1 1 32 28 48 o 1.362000       1.115000      ?             ?      
1 1 1 32 28 49 o 0.4111000      1.056000      ?             ?      
1 1 1 32 28 50 o -0.8396000E-01 1.135000      ?             ?      
1 1 1 32 28 51 o 1.836000       1.223000      ?             ?      
1 1 1 32 28 52 o -0.2147000E-01 1.113000      ?             ?      
1 1 1 32 28 53 o -0.7973000     1.315000      ?             ?      
1 1 1 32 28 54 o -0.5160000     1.378000      ?             ?      
1 1 1 32 29 0  o -0.8665000E-01 1.925000      138.5727      180.0  
1 1 1 32 29 1  o 1.542000       1.305000      26.67527      19.4   
1 1 1 32 29 2  o 0.2949000      1.289000      48.44334      -120.5 
1 1 1 32 29 3  o 0.8416000      1.133000      133.3322      -76.5  
1 1 1 32 29 4  o 1.297000       1.098000      51.35259      -168.4 
1 1 1 32 29 5  o 0.7724000      1.183000      37.21516      -61.0  
1 1 1 32 29 6  o 0.2731000      1.217000      100.0350      26.4   
1 1 1 32 29 7  o 0.4771000      1.187000      33.67640      -125.5 
1 1 1 32 29 8  o -0.2035000     1.305000      103.1935      126.6  
1 1 1 32 29 9  o 1.105000       1.314000      112.4719      -120.1 
1 1 1 32 29 10 o -0.6536000     1.303000      65.62994      -156.9 
1 1 1 32 29 11 o 0.1606000      1.178000      28.26733      100.2  
1 1 1 32 29 12 o 0.5014000      1.216000      112.7301      119.0  
1 1 1 32 29 13 o -2.195000      1.253000      97.82914      14.6   
1 1 1 32 29 14 o -1.514000      1.285000      62.62744      119.1  
1 1 1 32 29 15 o -0.3654000     1.300000      92.08469      120.7  
1 1 1 32 29 16 o 0.3899000      1.312000      99.71693      -117.4 
1 1 1 32 29 17 o 1.724000       1.448000      135.9916      79.4   
1 1 1 32 29 18 o -1.744000      1.686000      70.62434      87.6   
1 1 1 32 29 19 o 0.3300000E-01  1.672000      6.856786      -82.9  
1 1 1 32 29 20 o -0.4112000     1.715000      107.5969      -15.5  
1 1 1 32 29 21 o 1.827000       1.422000      62.77861      96.9   
1 1 1 32 29 22 o 0.8288000E-01  1.441000      52.88936      175.1  
1 1 1 32 29 23 o -1.812000      1.430000      44.71981      61.4   
1 1 1 32 29 24 o -0.7177000     1.420000      54.80773      -150.2 
1 1 1 32 29 25 o 1.011000       1.467000      47.69113      70.7   
1 1 1 32 29 26 o 1.564000       1.380000      28.92784      -174.5 
1 1 1 32 29 27 o 0.8569000E-01  1.297000      78.81323      -2.9   
1 1 1 32 29 28 o -1.661000      1.383000      ?             ?      
1 1 1 32 29 29 o 0.9986000      1.354000      ?             ?      
1 1 1 32 29 30 o -2.015000      1.352000      ?             ?      
1 1 1 32 29 31 o 0.4467000      1.427000      ?             ?      
1 1 1 32 29 32 o -0.2545000E-01 1.193000      ?             ?      
1 1 1 32 29 33 o 0.8133000      1.158000      ?             ?      
1 1 1 32 29 34 o -1.591000      1.079000      ?             ?      
1 1 1 32 29 35 o -1.236000      1.078000      ?             ?      
1 1 1 32 29 36 o 1.361000       1.078000      ?             ?      
1 1 1 32 29 37 o 0.4842000      1.065000      ?             ?      
1 1 1 32 29 38 o 0.2618000      1.240000      ?             ?      
1 1 1 32 29 39 o -0.7781000     1.229000      ?             ?      
1 1 1 32 29 40 o 1.816000       1.218000      ?             ?      
1 1 1 32 29 41 o -2.336000      1.131000      ?             ?      
1 1 1 32 29 42 o 0.7843000      1.065000      ?             ?      
1 1 1 32 29 43 o 0.2777000      1.166000      ?             ?      
1 1 1 32 29 44 o -1.880000      1.126000      ?             ?      
1 1 1 32 29 45 o -0.1078000     1.077000      ?             ?      
1 1 1 32 29 46 o 1.116000       1.105000      ?             ?      
1 1 1 32 29 47 o -0.9064000E-01 1.043000      ?             ?      
1 1 1 32 29 48 o 0.5143000      1.041000      ?             ?      
1 1 1 32 29 49 o -0.4812000     1.087000      ?             ?      
1 1 1 32 29 50 o 2.189000       1.218000      ?             ?      
1 1 1 32 29 51 o -0.9242000     1.138000      ?             ?      
1 1 1 32 29 52 o -0.5149000     1.098000      ?             ?      
1 1 1 32 29 53 o 0.3039000      1.593000      ?             ?      
1 1 1 32 30 0  o -0.5932000     1.953000      13.73337      180.0  
1 1 1 32 30 1  o -0.3241000     1.244000      20.08818      75.2   
1 1 1 32 30 2  o -1.256000      1.302000      86.39863      56.1   
1 1 1 32 30 3  o 0.4459000      1.119000      33.99645      35.3   
1 1 1 32 30 4  o -0.6046000     1.099000      86.66123      68.3   
1 1 1 32 30 5  o 0.7538000      1.207000      29.13595      -170.6 
1 1 1 32 30 6  o -0.3806000     1.259000      92.13240      118.2  
1 1 1 32 30 7  o 0.2734000      1.301000      63.03192      -103.9 
1 1 1 32 30 8  o -2.242000      1.438000      58.31274      -14.6  
1 1 1 32 30 9  o 1.947000       1.351000      105.1627      -165.7 
1 1 1 32 30 10 o -0.5030000     1.342000      39.08680      -63.2  
1 1 1 32 30 11 o -0.6132000     1.205000      24.52737      139.9  
1 1 1 32 30 12 o -1.830000      1.235000      4.507312      79.3   
1 1 1 32 30 13 o 0.8457000      1.277000      47.15627      -129.0 
1 1 1 32 30 14 o -0.5993000E-01 1.302000      26.96834      -101.1 
1 1 1 32 30 15 o 1.347000       1.317000      20.92875      87.6   
1 1 1 32 30 16 o 0.8748000      1.322000      83.25430      -4.6   
1 1 1 32 30 17 o -2.104000      1.457000      20.29116      167.4  
1 1 1 32 30 18 o -0.6202000     1.713000      50.84328      68.2   
1 1 1 32 30 19 o -0.8900000     1.726000      16.50966      -85.2  
1 1 1 32 30 20 o 1.042000       1.755000      125.1295      -158.5 
1 1 1 32 30 21 o -1.371000      1.449000      71.25148      23.8   
1 1 1 32 30 22 o 0.2139000      1.428000      36.06183      68.3   
1 1 1 32 30 23 o 0.2153000      1.440000      61.28498      17.8   
1 1 1 32 30 24 o -0.5417000     1.417000      31.71529      -81.4  
1 1 1 32 30 25 o -0.9045000     1.429000      87.75513      175.2  
1 1 1 32 30 26 o 1.563000       1.387000      88.30629      -172.9 
1 1 1 32 30 27 o 0.3680000      1.336000      ?             ?      
1 1 1 32 30 28 o -2.172000      1.256000      ?             ?      
1 1 1 32 30 29 o -0.4274000     1.367000      ?             ?      
1 1 1 32 30 30 o 0.9936000      1.371000      ?             ?      
1 1 1 32 30 31 o -0.3260000     1.381000      ?             ?      
1 1 1 32 30 32 o 0.1393000      1.465000      ?             ?      
1 1 1 32 30 33 o -1.396000      1.074000      ?             ?      
1 1 1 32 30 34 o -0.2754000     1.059000      ?             ?      
1 1 1 32 30 35 o -1.323000      1.006000      ?             ?      
1 1 1 32 30 36 o 0.7529000      1.065000      ?             ?      
1 1 1 32 30 37 o 0.3592000      1.063000      ?             ?      
1 1 1 32 30 38 o -1.166000      1.058000      ?             ?      
1 1 1 32 30 39 o 0.2005000E-01  1.242000      ?             ?      
1 1 1 32 30 40 o -0.3367000     1.159000      ?             ?      
1 1 1 32 30 41 o -0.6925000     1.143000      ?             ?      
1 1 1 32 30 42 o 1.405000       1.202000      ?             ?      
1 1 1 32 30 43 o -1.655000      1.088000      ?             ?      
1 1 1 32 30 44 o -0.1291000     1.015000      ?             ?      
1 1 1 32 30 45 o -0.7524000E-01 1.076000      ?             ?      
1 1 1 32 30 46 o -0.6479000     1.087000      ?             ?      
1 1 1 32 30 47 o 0.1395000      1.103000      ?             ?      
1 1 1 32 30 48 o -0.6889000     1.079000      ?             ?      
1 1 1 32 30 49 o -0.7040000     1.169000      ?             ?      
1 1 1 32 30 50 o 0.2901000      1.230000      ?             ?      
1 1 1 32 30 51 o -0.3589000     1.198000      ?             ?      
1 1 1 32 30 52 o -0.2070000     1.284000      ?             ?      
1 1 1 32 30 53 o -2.924000      1.435000      ?             ?      
1 1 1 32 31 0  o -4.297000      1.679000      31.90927      -0.0   
1 1 1 32 31 1  o -0.3138000     1.251000      37.90756      -2.3   
1 1 1 32 31 2  o 1.411000       1.175000      60.93813      174.9  
1 1 1 32 31 3  o -0.2531000     1.115000      53.77021      -173.6 
1 1 1 32 31 4  o 1.053000       1.126000      25.01016      61.3   
1 1 1 32 31 5  o 0.2996000      1.225000      31.54471      -52.5  
1 1 1 32 31 6  o -0.6324000     1.263000      5.438069      86.6   
1 1 1 32 31 7  o 0.2835000      1.430000      67.10883      -178.6 
1 1 1 32 31 8  o -0.2213000     1.401000      50.97886      39.8   
1 1 1 32 31 9  o 0.2280000      1.467000      39.35397      24.4   
1 1 1 32 31 10 o 1.043000       1.263000      63.25952      -56.5  
1 1 1 32 31 11 o -0.7221000     1.239000      35.53672      83.8   
1 1 1 32 31 12 o -0.6499000     1.259000      34.31662      98.5   
1 1 1 32 31 13 o -0.9403000     1.277000      37.40102      46.3   
1 1 1 32 31 14 o 0.7714000      1.304000      79.12658      -118.2 
1 1 1 32 31 15 o 1.612000       1.310000      30.98750      -15.7  
1 1 1 32 31 16 o 0.7673000      1.333000      51.43453      -176.2 
1 1 1 32 31 17 o -2.693000      1.473000      35.67457      153.1  
1 1 1 32 31 18 o 2.120000       1.744000      93.63638      -36.5  
1 1 1 32 31 19 o 0.1657000E-01  1.731000      34.91370      -129.2 
1 1 1 32 31 20 o -2.927000      1.507000      43.09642      37.6   
1 1 1 32 31 21 o 0.4051000      1.471000      34.50764      -125.5 
1 1 1 32 31 22 o -2.392000      1.446000      23.32128      138.8  
1 1 1 32 31 23 o 0.1947000      1.443000      18.25737      -34.3  
1 1 1 32 31 24 o -2.378000      1.418000      25.35933      -105.5 
1 1 1 32 31 25 o 1.152000       1.434000      ?             ?      
1 1 1 32 31 26 o -0.8368000     1.357000      ?             ?      
1 1 1 32 31 27 o 0.1543000      1.335000      ?             ?      
1 1 1 32 31 28 o -0.9888000     1.439000      ?             ?      
1 1 1 32 31 29 o 0.8511000      1.443000      ?             ?      
1 1 1 32 31 30 o 0.2415000      1.383000      ?             ?      
1 1 1 32 31 31 o -1.349000      1.241000      ?             ?      
1 1 1 32 31 32 o -0.3144000     1.365000      ?             ?      
1 1 1 32 31 33 o -1.040000      1.361000      ?             ?      
1 1 1 32 31 34 o -0.1159000     1.068000      ?             ?      
1 1 1 32 31 35 o 0.3287000      1.035000      ?             ?      
1 1 1 32 31 36 o 0.3577000      1.006000      ?             ?      
1 1 1 32 31 37 o -0.7254000     1.057000      ?             ?      
1 1 1 32 31 38 o -0.3377000     1.067000      ?             ?      
1 1 1 32 31 39 o 1.385000       1.214000      ?             ?      
1 1 1 32 31 40 o 0.7676000      1.185000      ?             ?      
1 1 1 32 31 41 o -0.7731000     1.235000      ?             ?      
1 1 1 32 31 42 o -1.389000      1.146000      ?             ?      
1 1 1 32 31 43 o -1.417000      0.9968000     ?             ?      
1 1 1 32 31 44 o -0.3242000E-01 1.016000      ?             ?      
1 1 1 32 31 45 o -0.4843000     1.055000      ?             ?      
1 1 1 32 31 46 o 1.273000       1.067000      ?             ?      
1 1 1 32 31 47 o -0.2063000     1.453000      ?             ?      
1 1 1 32 31 48 o -2.223000      1.081000      ?             ?      
1 1 1 32 31 49 o 0.8337000      1.462000      ?             ?      
1 1 1 32 31 50 o -1.066000      1.503000      ?             ?      
1 1 1 32 31 51 o -2.570000      1.109000      ?             ?      
1 1 1 32 31 52 o 0.8073000      1.320000      ?             ?      
1 1 1 32 32 0  o -0.4914000     1.689000      56.90952      -0.0   
1 1 1 32 32 1  o -0.8272000     1.152000      20.32800      -93.4  
1 1 1 32 32 2  o 0.8920000E-01  1.162000      33.81065      59.6   
1 1 1 32 32 3  o -0.6972000E-01 1.179000      22.09890      -56.1  
1 1 1 32 32 4  o -0.6194000     1.214000      14.77768      53.6   
1 1 1 32 32 5  o -0.8350000     1.261000      59.13665      -40.7  
1 1 1 32 32 6  o 0.1696000      1.335000      7.861613      22.5   
1 1 1 32 32 7  o 0.9189000      1.497000      59.43402      -135.6 
1 1 1 32 32 8  o 1.143000       1.440000      45.08267      -157.0 
1 1 1 32 32 9  o 0.3541000      1.484000      32.40623      84.5   
1 1 1 32 32 10 o 0.4913000      1.315000      35.78673      27.8   
1 1 1 32 32 11 o 1.154000       1.304000      36.86964      95.6   
1 1 1 32 32 12 o 0.2358000      1.310000      23.52316      -140.5 
1 1 1 32 32 13 o 0.1587000      1.306000      36.60009      74.2   
1 1 1 32 32 14 o -0.6071000     1.314000      19.77549      179.3  
1 1 1 32 32 15 o -0.7154000     1.320000      72.39888      -26.8  
1 1 1 32 32 16 o 1.492000       1.327000      39.99143      -14.1  
1 1 1 32 32 17 o -0.6818000     1.467000      37.40639      -23.8  
1 1 1 32 32 18 o -0.2971000     1.748000      2.152962      -144.8 
1 1 1 32 32 19 o 2.246000       1.768000      39.87537      -150.7 
1 1 1 32 32 20 o -0.6393000     1.500000      31.38221      -24.3  
1 1 1 32 32 21 o -2.716000      1.485000      68.03661      84.4   
1 1 1 32 32 22 o -0.7533000     1.473000      55.63427      -0.8   
1 1 1 32 32 23 o 0.6660000      1.454000      10.35994      -156.4 
1 1 1 32 32 24 o 0.6306000E-01  1.411000      ?             ?      
1 1 1 32 32 25 o -1.303000      1.397000      ?             ?      
1 1 1 32 32 26 o -0.5560000     1.329000      ?             ?      
1 1 1 32 32 27 o -0.7619000     1.353000      ?             ?      
1 1 1 32 32 28 o -0.3966000     1.480000      ?             ?      
1 1 1 32 32 29 o -1.537000      1.454000      ?             ?      
1 1 1 32 32 30 o 0.2688000      1.288000      ?             ?      
1 1 1 32 32 31 o 0.6782000      1.224000      ?             ?      
1 1 1 32 32 32 o -0.2360000     1.347000      ?             ?      
1 1 1 32 32 33 o -0.7656000     1.324000      ?             ?      
1 1 1 32 32 34 o -0.1936000     1.242000      ?             ?      
1 1 1 32 32 35 o 1.268000       1.048000      ?             ?      
1 1 1 32 32 36 o -0.9351000     0.9965000     ?             ?      
1 1 1 32 32 37 o 0.1234000      1.349000      ?             ?      
1 1 1 32 32 38 o -1.016000      1.160000      ?             ?      
1 1 1 32 32 39 o -0.2384000     1.074000      ?             ?      
1 1 1 32 32 40 o -1.516000      1.198000      ?             ?      
1 1 1 32 32 41 o 0.6984000      1.161000      ?             ?      
1 1 1 32 32 42 o -0.4835000E-01 1.160000      ?             ?      
1 1 1 32 32 43 o 0.1250000      1.169000      ?             ?      
1 1 1 32 32 44 o -0.3926000     1.016000      ?             ?      
1 1 1 32 32 45 o 1.474000       1.033000      ?             ?      
1 1 1 32 32 46 o 0.3340000      1.118000      ?             ?      
1 1 1 32 32 47 o -1.770000      1.367000      ?             ?      
1 1 1 32 32 48 o 0.4508000      1.595000      ?             ?      
1 1 1 32 32 49 o -1.855000      1.236000      ?             ?      
1 1 1 32 32 50 f 0.8550000      1.105000      ?             ?      
1 1 1 32 32 51 o -0.1247000E-01 1.528000      ?             ?      
1 1 1 32 33 0  o -1.276000      1.435000      105.5123      0.0    
1 1 1 32 33 1  o 0.5258000      1.130000      44.24238      86.2   
1 1 1 32 33 2  o -0.4433000E-01 1.127000      65.75534      34.2   
1 1 1 32 33 3  o 0.1786000      1.189000      44.35952      121.0  
1 1 1 32 33 4  o -0.6040000     1.205000      15.75552      148.8  
1 1 1 32 33 5  o -0.9271000     1.280000      51.29453      21.1   
1 1 1 32 33 6  o -1.865000      1.473000      63.64007      127.6  
1 1 1 32 33 7  o -1.138000      1.443000      54.45876      146.5  
1 1 1 32 33 8  o 0.1127000      1.462000      54.17205      177.2  
1 1 1 32 33 9  o 1.205000       1.504000      57.59908      179.3  
1 1 1 32 33 10 o 0.6244000E-01  1.325000      19.46954      71.0   
1 1 1 32 33 11 o 1.209000       1.331000      11.67576      119.6  
1 1 1 32 33 12 o 2.900000       1.344000      37.48493      -135.6 
1 1 1 32 33 13 o 0.5647000      1.364000      39.41588      114.4  
1 1 1 32 33 14 o 0.1069000      1.348000      53.72036      71.8   
1 1 1 32 33 15 o -0.8152000     1.304000      11.30807      130.0  
1 1 1 32 33 16 o -1.240000      1.303000      71.36307      -146.4 
1 1 1 32 33 17 o 0.2758000      1.487000      16.52949      -101.8 
1 1 1 32 33 18 o 3.209000       1.780000      65.16266      -27.5  
1 1 1 32 33 19 o -0.6370000E-01 1.509000      12.98368      -165.1 
1 1 1 32 33 20 o -0.8685000     1.500000      15.04369      122.1  
1 1 1 32 33 21 o -2.515000      1.471000      29.79419      -80.4  
1 1 1 32 33 22 o 0.5082000      1.498000      ?             ?      
1 1 1 32 33 23 o 0.6533000      1.446000      ?             ?      
1 1 1 32 33 24 o 2.154000       1.425000      ?             ?      
1 1 1 32 33 25 o 1.863000       1.386000      ?             ?      
1 1 1 32 33 26 o -0.5381000     1.341000      ?             ?      
1 1 1 32 33 27 o -3.888000      1.518000      ?             ?      
1 1 1 32 33 28 o -2.248000      1.467000      ?             ?      
1 1 1 32 33 29 o -0.4747000     1.283000      ?             ?      
1 1 1 32 33 30 o -1.831000      1.269000      ?             ?      
1 1 1 32 33 31 o -1.384000      1.388000      ?             ?      
1 1 1 32 33 32 o -0.9728000     1.362000      ?             ?      
1 1 1 32 33 33 o -1.509000      1.172000      ?             ?      
1 1 1 32 33 34 o -0.7834000     1.150000      ?             ?      
1 1 1 32 33 35 o 0.5389000      1.175000      ?             ?      
1 1 1 32 33 36 o 0.4228000      1.161000      ?             ?      
1 1 1 32 33 37 o 0.6230000      1.114000      ?             ?      
1 1 1 32 33 38 o 0.6558000      1.119000      ?             ?      
1 1 1 32 33 39 o 0.4068000      1.058000      ?             ?      
1 1 1 32 33 40 o -0.4159000     1.066000      ?             ?      
1 1 1 32 33 41 o -0.1821000     1.341000      ?             ?      
1 1 1 32 33 42 o -1.220000      1.255000      ?             ?      
1 1 1 32 33 43 o -2.637000      1.163000      ?             ?      
1 1 1 32 33 44 o 1.709000       1.178000      ?             ?      
1 1 1 32 33 45 o 0.3729000      1.258000      ?             ?      
1 1 1 32 33 46 o -1.217000      1.284000      ?             ?      
1 1 1 32 33 47 o -0.5042000E-01 1.081000      ?             ?      
1 1 1 32 33 48 o 0.9828000E-01  1.497000      ?             ?      
1 1 1 32 33 49 o -0.1908000     1.093000      ?             ?      
1 1 1 32 33 50 o -0.7536000     1.125000      ?             ?      
1 1 1 32 34 0  o 1.934000       1.369000      59.50391      -0.0   
1 1 1 32 34 1  o 0.1512000      1.130000      44.30051      135.6  
1 1 1 32 34 2  o -2.275000      1.130000      13.81563      35.3   
1 1 1 32 34 3  o 0.5109000      1.260000      83.55057      -169.5 
1 1 1 32 34 4  o 1.586000       1.226000      44.77560      155.1  
1 1 1 32 34 5  o -1.655000      1.260000      69.57014      2.4    
1 1 1 32 34 6  o -1.624000      1.467000      93.63915      -70.4  
1 1 1 32 34 7  o -1.268000      1.428000      114.7750      -139.1 
1 1 1 32 34 8  o -1.562000      1.462000      15.93031      -60.5  
1 1 1 32 34 9  o 0.4328000      1.317000      64.15857      -9.7   
1 1 1 32 34 10 o -1.864000      1.314000      25.21990      68.1   
1 1 1 32 34 11 o -0.7844000     1.309000      31.53615      -136.2 
1 1 1 32 34 12 o 2.610000       1.344000      55.94710      -138.7 
1 1 1 32 34 13 o 0.5708000      1.318000      67.83962      168.9  
1 1 1 32 34 14 o 1.608000       1.323000      81.99773      -131.1 
1 1 1 32 34 15 o -0.8817000     1.316000      49.35408      -56.2  
1 1 1 32 34 16 o 1.814000       1.338000      68.50539      80.1   
1 1 1 32 34 17 o -0.3804000     1.350000      37.55645      2.9    
1 1 1 32 34 18 o 1.694000       1.522000      31.07367      12.1   
1 1 1 32 34 19 o 0.1258000      1.484000      30.81289      -47.0  
1 1 1 32 34 20 o -1.657000      1.463000      ?             ?      
1 1 1 32 34 21 o 0.4727000      1.455000      ?             ?      
1 1 1 32 34 22 o -0.1877000     1.457000      ?             ?      
1 1 1 32 34 23 o 0.4094000      1.445000      ?             ?      
1 1 1 32 34 24 o 1.356000       1.407000      ?             ?      
1 1 1 32 34 25 o 1.744000       1.392000      ?             ?      
1 1 1 32 34 26 o 1.476000       1.582000      ?             ?      
1 1 1 32 34 27 o -0.3328000     1.530000      ?             ?      
1 1 1 32 34 28 o -1.276000      1.493000      ?             ?      
1 1 1 32 34 29 o -0.4630000     1.288000      ?             ?      
1 1 1 32 34 30 o 0.3692000      1.251000      ?             ?      
1 1 1 32 34 31 o 1.724000       1.405000      ?             ?      
1 1 1 32 34 32 o 1.237000       1.373000      ?             ?      
1 1 1 32 34 33 o -1.214000      1.195000      ?             ?      
1 1 1 32 34 34 o -0.9053000E-02 1.206000      ?             ?      
1 1 1 32 34 35 o 0.9417000      1.165000      ?             ?      
1 1 1 32 34 36 o -1.141000      1.154000      ?             ?      
1 1 1 32 34 37 o -2.432000      1.196000      ?             ?      
1 1 1 32 34 38 o 0.5663000      0.9897000     ?             ?      
1 1 1 32 34 39 o 0.5472000E-01  1.069000      ?             ?      
1 1 1 32 34 40 o -1.457000      1.320000      ?             ?      
1 1 1 32 34 41 o -1.207000      1.138000      ?             ?      
1 1 1 32 34 42 o 0.3340000      1.274000      ?             ?      
1 1 1 32 34 43 o 0.7747000E-01  1.718000      ?             ?      
1 1 1 32 34 44 o 0.2516000      1.531000      ?             ?      
1 1 1 32 34 45 o -2.403000      1.067000      ?             ?      
1 1 1 32 34 46 o -0.7501000     1.117000      ?             ?      
1 1 1 32 34 47 o 0.1605000      1.587000      ?             ?      
1 1 1 32 34 48 o -1.051000      1.208000      ?             ?      
1 1 1 32 34 49 o -0.5070000     1.095000      ?             ?      
1 1 1 32 34 50 o -2.624000      2.622000      ?             ?      
1 1 1 32 35 0  o 2.139000       1.380000      100.0206      -180.0 
1 1 1 32 35 1  o 1.551000       0.9903000     76.96052      -105.6 
1 1 1 32 35 2  o -0.4465000     1.161000      34.72008      162.6  
1 1 1 32 35 3  o -1.389000      1.262000      26.75193      123.2  
1 1 1 32 35 4  o 0.6101000      1.204000      33.78506      -61.2  
1 1 1 32 35 5  o 0.1610000E-01  1.296000      54.17193      14.2   
1 1 1 32 35 6  o 0.7993000      1.380000      39.58586      25.9   
1 1 1 32 35 7  o -1.351000      1.420000      65.15281      -147.6 
1 1 1 32 35 8  o -0.2095000     1.458000      107.8715      -115.4 
1 1 1 32 35 9  o 0.3827000E-01  1.314000      74.79206      128.8  
1 1 1 32 35 10 o 3.110000       1.314000      50.41791      71.7   
1 1 1 32 35 11 o 0.6119000      1.309000      16.34646      -100.3 
1 1 1 32 35 12 o 0.2941000      1.291000      16.61934      -42.7  
1 1 1 32 35 13 o -2.130000      1.294000      45.76465      37.4   
1 1 1 32 35 14 o -1.334000      1.303000      56.13639      -119.4 
1 1 1 32 35 15 o -1.454000      1.321000      53.47505      135.4  
1 1 1 32 35 16 o -0.9538000     1.317000      35.52492      -51.5  
1 1 1 32 35 17 o 1.559000       1.354000      ?             ?      
1 1 1 32 35 18 o 0.5320000      1.471000      ?             ?      
1 1 1 32 35 19 o 1.568000       1.474000      ?             ?      
1 1 1 32 35 20 o 1.635000       1.473000      ?             ?      
1 1 1 32 35 21 o -0.7373000E-03 1.436000      ?             ?      
1 1 1 32 35 22 o -1.794000      1.438000      ?             ?      
1 1 1 32 35 23 o -0.7389000     1.412000      ?             ?      
1 1 1 32 35 24 o 1.043000       1.443000      ?             ?      
1 1 1 32 35 25 o -0.5439000     1.417000      ?             ?      
1 1 1 32 35 26 o -0.4856000     1.598000      ?             ?      
1 1 1 32 35 27 o 0.8194000      1.534000      ?             ?      
1 1 1 32 35 28 o -0.3682000     1.305000      ?             ?      
1 1 1 32 35 29 o 0.9892000E-01  1.269000      ?             ?      
1 1 1 32 35 30 o 0.4914000E-01  1.428000      ?             ?      
1 1 1 32 35 31 o 2.972000       1.442000      ?             ?      
1 1 1 32 35 32 f 0.5377000      1.238000      ?             ?      
1 1 1 32 35 33 o 1.042000       1.180000      ?             ?      
1 1 1 32 35 34 o 1.426000       1.170000      ?             ?      
1 1 1 32 35 35 o 1.094000       1.163000      ?             ?      
1 1 1 32 35 36 o -0.3486000     1.165000      ?             ?      
1 1 1 32 35 37 o 1.099000       1.166000      ?             ?      
1 1 1 32 35 38 o -0.1781000     1.215000      ?             ?      
1 1 1 32 35 39 o -1.747000      1.064000      ?             ?      
1 1 1 32 35 40 o 0.3336000      1.171000      ?             ?      
1 1 1 32 35 41 o -1.249000      1.174000      ?             ?      
1 1 1 32 35 42 o -0.5153000     1.269000      ?             ?      
1 1 1 32 35 43 o -0.3393000     1.299000      ?             ?      
1 1 1 32 35 44 o -0.5478000E-01 1.288000      ?             ?      
1 1 1 32 35 45 o -2.231000      1.317000      ?             ?      
1 1 1 32 35 46 o -1.246000      1.087000      ?             ?      
1 1 1 32 35 47 o 1.987000       1.244000      ?             ?      
1 1 1 32 35 48 o -0.8386000     1.131000      ?             ?      
1 1 1 32 35 49 o -2.508000      2.548000      ?             ?      
1 1 1 32 36 0  o 1.501000       1.374000      57.98895      0.0    
1 1 1 32 36 1  o 0.4676000      0.9860000     86.79202      -133.6 
1 1 1 32 36 2  o -0.4229000     0.9905000     39.59865      -57.1  
1 1 1 32 36 3  o 0.7757000E-01  1.296000      46.67190      124.7  
1 1 1 32 36 4  o 0.7194000      1.222000      72.29064      43.3   
1 1 1 32 36 5  o -1.106000      1.401000      150.4629      18.8   
1 1 1 32 36 6  o -0.7459000     1.355000      25.66050      -50.7  
1 1 1 32 36 7  o 0.7094000      1.393000      56.31589      -9.8   
1 1 1 32 36 8  o 1.442000       1.293000      116.1224      -128.4 
1 1 1 32 36 9  o 1.063000       1.297000      45.39007      81.0   
1 1 1 32 36 10 o 1.345000       1.321000      97.44058      122.9  
1 1 1 32 36 11 o 0.3023000      1.303000      68.99838      -133.7 
1 1 1 32 36 12 o 0.3001000E-01  1.292000      68.34055      60.8   
1 1 1 32 36 13 o -1.541000      1.294000      39.56530      31.8   
1 1 1 32 36 14 o -0.5260000     1.305000      ?             ?      
1 1 1 32 36 15 o -0.1964000     1.314000      ?             ?      
1 1 1 32 36 16 o 0.9332000      1.313000      ?             ?      
1 1 1 32 36 17 o 2.978000       1.479000      ?             ?      
1 1 1 32 36 18 o -0.6870000     1.432000      ?             ?      
1 1 1 32 36 19 o 1.650000       1.436000      ?             ?      
1 1 1 32 36 20 o -0.6595000     1.422000      ?             ?      
1 1 1 32 36 21 o -2.666000      1.414000      ?             ?      
1 1 1 32 36 22 o -0.2510000     1.425000      ?             ?      
1 1 1 32 36 23 o 1.669000       1.403000      ?             ?      
1 1 1 32 36 24 o -2.552000      1.398000      ?             ?      
1 1 1 32 36 25 o -0.2353000     1.612000      ?             ?      
1 1 1 32 36 26 o -3.208000      1.583000      ?             ?      
1 1 1 32 36 27 o -2.029000      1.330000      ?             ?      
1 1 1 32 36 28 o -0.4361000     1.373000      ?             ?      
1 1 1 32 36 29 o -0.3722000     1.351000      ?             ?      
1 1 1 32 36 30 o -0.7682000     1.419000      ?             ?      
1 1 1 32 36 31 o 0.3017000      1.409000      ?             ?      
1 1 1 32 36 32 o -0.8522000     1.190000      ?             ?      
1 1 1 32 36 33 o -1.960000      1.174000      ?             ?      
1 1 1 32 36 34 o 0.4718000      1.184000      ?             ?      
1 1 1 32 36 35 o -1.066000      1.186000      ?             ?      
1 1 1 32 36 36 o 0.6186000      1.234000      ?             ?      
1 1 1 32 36 37 f 0.8140000      1.260000      ?             ?      
1 1 1 32 36 38 o 0.1952000      1.217000      ?             ?      
1 1 1 32 36 39 o -0.2499000E-01 1.569000      ?             ?      
1 1 1 32 36 40 o -1.346000      1.087000      ?             ?      
1 1 1 32 36 41 o 0.1453000      1.066000      ?             ?      
1 1 1 32 36 42 o -1.484000      1.069000      ?             ?      
1 1 1 32 36 43 o -0.2287000     1.293000      ?             ?      
1 1 1 32 36 44 o -1.466000      1.250000      ?             ?      
1 1 1 32 36 45 o -0.7008000     2.178000      ?             ?      
1 1 1 32 36 46 o -0.3025000     1.559000      ?             ?      
1 1 1 32 36 47 o 0.1743000      1.508000      ?             ?      
1 1 1 32 36 48 o 2.427000       2.183000      ?             ?      
1 1 1 32 37 0  o -0.8219000     1.363000      27.16578      -0.0   
1 1 1 32 37 1  o -0.5392000     0.9797000     137.7480      -9.1   
1 1 1 32 37 2  o -0.2991000     1.097000      91.74993      58.7   
1 1 1 32 37 3  o 1.396000       1.162000      204.6120      -152.8 
1 1 1 32 37 4  o 1.134000       1.233000      123.2224      145.3  
1 1 1 32 37 5  o 0.8770000      1.367000      68.78663      -84.2  
1 1 1 32 37 6  o -1.311000      1.311000      50.93220      136.5  
1 1 1 32 37 7  o -1.963000      1.376000      84.97331      -95.7  
1 1 1 32 37 8  o -0.3720000E-01 1.242000      16.93291      -19.9  
1 1 1 32 37 9  o -2.351000      1.260000      100.6215      -155.6 
1 1 1 32 37 10 o 0.5124000      1.283000      ?             ?      
1 1 1 32 37 11 o 0.5268000      1.280000      ?             ?      
1 1 1 32 37 12 o 0.9242000      1.278000      ?             ?      
1 1 1 32 37 13 o -0.6887000     1.291000      ?             ?      
1 1 1 32 37 14 o -0.7722000     1.293000      ?             ?      
1 1 1 32 37 15 o 2.229000       1.304000      ?             ?      
1 1 1 32 37 16 o 1.000000       1.311000      ?             ?      
1 1 1 32 37 17 o 2.706000       1.333000      ?             ?      
1 1 1 32 37 18 o 2.123000       1.665000      ?             ?      
1 1 1 32 37 19 o 0.5733000      1.406000      ?             ?      
1 1 1 32 37 20 o -0.7098000     1.402000      ?             ?      
1 1 1 32 37 21 o -1.500000      1.392000      ?             ?      
1 1 1 32 37 22 o 3.245000       1.419000      ?             ?      
1 1 1 32 37 23 o 2.103000       1.413000      ?             ?      
1 1 1 32 37 24 o 1.897000       1.630000      ?             ?      
1 1 1 32 37 25 o 1.043000       1.604000      ?             ?      
1 1 1 32 37 26 o -1.516000      1.636000      ?             ?      
1 1 1 32 37 27 o -1.067000      1.466000      ?             ?      
1 1 1 32 37 28 o -1.321000      1.320000      ?             ?      
1 1 1 32 37 29 o -1.089000      1.502000      ?             ?      
1 1 1 32 37 30 o 1.431000       1.448000      ?             ?      
1 1 1 32 37 31 o -0.1454000     1.214000      ?             ?      
1 1 1 32 37 32 o -1.788000      1.196000      ?             ?      
1 1 1 32 37 33 o -0.4873000     1.209000      ?             ?      
1 1 1 32 37 34 o 0.1021000E-01  1.242000      ?             ?      
1 1 1 32 37 35 o -0.6400000     1.226000      ?             ?      
1 1 1 32 37 36 o -0.1237000     1.062000      ?             ?      
1 1 1 32 37 37 o -0.8113000     1.516000      ?             ?      
1 1 1 32 37 38 o 0.8949000      1.190000      ?             ?      
1 1 1 32 37 39 o -0.7798000     1.173000      ?             ?      
1 1 1 32 37 40 o -1.007000      1.176000      ?             ?      
1 1 1 32 37 41 o -1.643000      1.084000      ?             ?      
1 1 1 32 37 42 o -0.8068000     1.072000      ?             ?      
1 1 1 32 37 43 o 0.8535000      1.109000      ?             ?      
1 1 1 32 37 44 o 0.3312000      1.855000      ?             ?      
1 1 1 32 37 45 o 3.858000       2.312000      ?             ?      
1 1 1 32 37 46 o 0.3545000      2.021000      ?             ?      
1 1 1 32 37 47 o -4.358000      2.134000      ?             ?      
1 1 1 32 38 0  o 2.281000       1.377000      ?             ?      
1 1 1 32 38 1  o 0.6452000      0.9656000     ?             ?      
1 1 1 32 38 2  o 1.561000       1.083000      ?             ?      
1 1 1 32 38 3  o -2.569000      1.271000      ?             ?      
1 1 1 32 38 4  o -1.451000      1.299000      ?             ?      
1 1 1 32 38 5  o 0.4638000      1.289000      ?             ?      
1 1 1 32 38 6  o 2.633000       1.316000      ?             ?      
1 1 1 32 38 7  o -1.376000      1.327000      ?             ?      
1 1 1 32 38 8  o -1.865000      1.197000      ?             ?      
1 1 1 32 38 9  o -2.353000      1.194000      ?             ?      
1 1 1 32 38 10 o -0.2450000     1.229000      ?             ?      
1 1 1 32 38 11 o 0.6432000      1.242000      ?             ?      
1 1 1 32 38 12 o -0.4316000     1.263000      ?             ?      
1 1 1 32 38 13 o -1.303000      1.275000      ?             ?      
1 1 1 32 38 14 o 2.556000       1.291000      ?             ?      
1 1 1 32 38 15 o 0.1990000E-01  1.283000      ?             ?      
1 1 1 32 38 16 o 2.581000       1.301000      ?             ?      
1 1 1 32 38 17 o 0.2490000      1.420000      ?             ?      
1 1 1 32 38 18 o -1.435000      1.636000      ?             ?      
1 1 1 32 38 19 o 1.664000       1.611000      ?             ?      
1 1 1 32 38 20 o 0.2415000      1.377000      ?             ?      
1 1 1 32 38 21 o -2.242000      1.385000      ?             ?      
1 1 1 32 38 22 o 0.1296000      1.403000      ?             ?      
1 1 1 32 38 23 o 1.177000       1.404000      ?             ?      
1 1 1 32 38 24 o 4.229000       1.761000      ?             ?      
1 1 1 32 38 25 o 1.062000       1.678000      ?             ?      
1 1 1 32 38 26 o -0.2106000     1.398000      ?             ?      
1 1 1 32 38 27 o -1.186000      1.310000      ?             ?      
1 1 1 32 38 28 o 1.127000       1.340000      ?             ?      
1 1 1 32 38 29 o 1.292000       1.508000      ?             ?      
1 1 1 32 38 30 o 0.8337000      1.486000      ?             ?      
1 1 1 32 38 31 o 0.2121000      1.270000      ?             ?      
1 1 1 32 38 32 o -1.584000      1.260000      ?             ?      
1 1 1 32 38 33 o 1.812000       1.248000      ?             ?      
1 1 1 32 38 34 o 0.4179000      1.486000      ?             ?      
1 1 1 32 38 35 o -0.4386000     1.234000      ?             ?      
1 1 1 32 38 36 o -0.4332000     1.214000      ?             ?      
1 1 1 32 38 37 o 0.1075000      1.241000      ?             ?      
1 1 1 32 38 38 o 2.274000       1.246000      ?             ?      
1 1 1 32 38 39 o 0.8121000      1.211000      ?             ?      
1 1 1 32 38 40 o -1.185000      1.165000      ?             ?      
1 1 1 32 38 41 o 1.057000       1.183000      ?             ?      
1 1 1 32 38 42 o -0.3472000     1.296000      ?             ?      
1 1 1 32 38 43 o -1.330000      1.137000      ?             ?      
1 1 1 32 38 44 o 0.7587000      1.168000      ?             ?      
1 1 1 32 38 45 o -1.468000      1.798000      ?             ?      
1 1 1 32 39 0  o 0.2322000      1.328000      ?             ?      
1 1 1 32 39 1  o 2.315000       0.9511000     ?             ?      
1 1 1 32 39 2  o -1.186000      1.036000      ?             ?      
1 1 1 32 39 3  o 0.1938000      1.067000      ?             ?      
1 1 1 32 39 4  o 0.6182000      1.275000      ?             ?      
1 1 1 32 39 5  o 0.9081000      1.258000      ?             ?      
1 1 1 32 39 6  o -0.3713000     1.278000      ?             ?      
1 1 1 32 39 7  o 1.884000       1.158000      ?             ?      
1 1 1 32 39 8  o 2.143000       1.157000      ?             ?      
1 1 1 32 39 9  o -1.260000      1.176000      ?             ?      
1 1 1 32 39 10 o -1.276000      1.199000      ?             ?      
1 1 1 32 39 11 o 0.9308000      1.244000      ?             ?      
1 1 1 32 39 12 o -0.5438000     1.236000      ?             ?      
1 1 1 32 39 13 o -1.665000      1.251000      ?             ?      
1 1 1 32 39 14 o -0.3449000     1.244000      ?             ?      
1 1 1 32 39 15 o 1.302000       1.274000      ?             ?      
1 1 1 32 39 16 o -0.9210000     1.290000      ?             ?      
1 1 1 32 39 17 o 0.2661000      1.651000      ?             ?      
1 1 1 32 39 18 o 1.646000       1.672000      ?             ?      
1 1 1 32 39 19 o 0.6168000      1.596000      ?             ?      
1 1 1 32 39 20 o 2.444000       1.607000      ?             ?      
1 1 1 32 39 21 o -1.596000      1.567000      ?             ?      
1 1 1 32 39 22 o 0.6656000      1.560000      ?             ?      
1 1 1 32 39 23 o 2.664000       1.631000      ?             ?      
1 1 1 32 39 24 o -0.9679000     1.606000      ?             ?      
1 1 1 32 39 25 o -1.110000      1.397000      ?             ?      
1 1 1 32 39 26 o -0.8427000     1.370000      ?             ?      
1 1 1 32 39 27 o 0.1590000      1.338000      ?             ?      
1 1 1 32 39 28 o 0.3134000      1.561000      ?             ?      
1 1 1 32 39 29 o 1.760000       1.552000      ?             ?      
1 1 1 32 39 30 o 1.733000       1.361000      ?             ?      
1 1 1 32 39 31 o 1.988000       1.544000      ?             ?      
1 1 1 32 39 32 o 1.830000       1.535000      ?             ?      
1 1 1 32 39 33 o -0.1865000     1.236000      ?             ?      
1 1 1 32 39 34 o -0.4380000     1.216000      ?             ?      
1 1 1 32 39 35 o -0.2960000     1.223000      ?             ?      
1 1 1 32 39 36 o 1.300000       1.235000      ?             ?      
1 1 1 32 39 37 o 1.817000       1.240000      ?             ?      
1 1 1 32 39 38 o 0.4660000      1.228000      ?             ?      
1 1 1 32 39 39 o -0.4672000     1.205000      ?             ?      
1 1 1 32 39 40 o 0.2879000      1.210000      ?             ?      
1 1 1 32 39 41 f 2.114000       1.223000      ?             ?      
1 1 1 32 39 42 o 0.4732000      1.216000      ?             ?      
1 1 1 32 39 43 o -1.201000      1.466000      ?             ?      
1 1 1 32 39 44 o 1.017000       1.251000      ?             ?      
1 1 1 32 39 45 o -5.630000      2.331000      ?             ?      
1 1 1 32 40 0  o -0.6962000     1.287000      ?             ?      
1 1 1 32 40 1  o -0.9463000     1.006000      ?             ?      
1 1 1 32 40 2  o -2.489000      1.017000      ?             ?      
1 1 1 32 40 3  o 1.210000       1.047000      ?             ?      
1 1 1 32 40 4  o 3.383000       1.319000      ?             ?      
1 1 1 32 40 5  o -0.8527000     1.226000      ?             ?      
1 1 1 32 40 6  o 1.618000       1.242000      ?             ?      
1 1 1 32 40 7  o -0.6802000     1.122000      ?             ?      
1 1 1 32 40 8  o 0.3249000      1.143000      ?             ?      
1 1 1 32 40 9  o -0.4183000     1.156000      ?             ?      
1 1 1 32 40 10 o -0.4027000     1.211000      ?             ?      
1 1 1 32 40 11 o 0.9546000      1.205000      ?             ?      
1 1 1 32 40 12 o -1.339000      1.229000      ?             ?      
1 1 1 32 40 13 o -1.354000      1.245000      ?             ?      
1 1 1 32 40 14 o -1.019000      1.402000      ?             ?      
1 1 1 32 40 15 o 1.264000       1.400000      ?             ?      
1 1 1 32 40 16 o -1.444000      1.252000      ?             ?      
1 1 1 32 40 17 o 0.4554000      1.387000      ?             ?      
1 1 1 32 40 18 o 0.3096000      1.652000      ?             ?      
1 1 1 32 40 19 o -0.4048000     1.698000      ?             ?      
1 1 1 32 40 20 o 1.972000       1.671000      ?             ?      
1 1 1 32 40 21 o 2.225000       1.634000      ?             ?      
1 1 1 32 40 22 o 1.229000       1.629000      ?             ?      
1 1 1 32 40 23 o 0.7654000E-01  1.615000      ?             ?      
1 1 1 32 40 24 o 1.071000       1.638000      ?             ?      
1 1 1 32 40 25 o 1.454000       1.391000      ?             ?      
1 1 1 32 40 26 o -0.3496000     1.355000      ?             ?      
1 1 1 32 40 27 o -1.541000      1.393000      ?             ?      
1 1 1 32 40 28 o -0.3046000     1.594000      ?             ?      
1 1 1 32 40 29 o 0.5507000      2.089000      ?             ?      
1 1 1 32 40 30 o 3.097000       1.359000      ?             ?      
1 1 1 32 40 31 o -0.4529000     1.279000      ?             ?      
1 1 1 32 40 32 o -0.2971000     1.265000      ?             ?      
1 1 1 32 40 33 o -0.5016000     1.257000      ?             ?      
1 1 1 32 40 34 o 0.8771000      1.248000      ?             ?      
1 1 1 32 40 35 o -1.223000      1.234000      ?             ?      
1 1 1 32 40 36 o 0.6266000      1.266000      ?             ?      
1 1 1 32 40 37 o -0.8471000     2.232000      ?             ?      
1 1 1 32 40 38 o 1.228000       1.226000      ?             ?      
1 1 1 32 40 39 o 1.548000       1.232000      ?             ?      
1 1 1 32 40 40 o 0.1724000      1.254000      ?             ?      
1 1 1 32 40 41 o 2.025000       1.242000      ?             ?      
1 1 1 32 40 42 o 0.8104000      1.428000      ?             ?      
1 1 1 32 40 43 o 0.2111000      1.417000      ?             ?      
1 1 1 32 41 0  o 0.7470000      1.288000      ?             ?      
1 1 1 32 41 1  o 2.679000       1.010000      ?             ?      
1 1 1 32 41 2  o -0.5880000     1.000000      ?             ?      
1 1 1 32 41 3  o -0.3366000     1.036000      ?             ?      
1 1 1 32 41 4  o -0.5254000     1.211000      ?             ?      
1 1 1 32 41 5  o -0.2712000     1.205000      ?             ?      
1 1 1 32 41 6  o -0.3768000     1.105000      ?             ?      
1 1 1 32 41 7  o -1.086000      1.100000      ?             ?      
1 1 1 32 41 8  o -0.1395000     1.129000      ?             ?      
1 1 1 32 41 9  o -1.016000      1.131000      ?             ?      
1 1 1 32 41 10 o -3.117000      1.161000      ?             ?      
1 1 1 32 41 11 o 0.8438000      1.353000      ?             ?      
1 1 1 32 41 12 o -0.4442000     1.349000      ?             ?      
1 1 1 32 41 13 o -0.2017000     1.224000      ?             ?      
1 1 1 32 41 14 o 4.739000       1.270000      ?             ?      
1 1 1 32 41 15 o 0.5775000      1.240000      ?             ?      
1 1 1 32 41 16 o 0.5291000      1.375000      ?             ?      
1 1 1 32 41 17 o 0.4311000      1.491000      ?             ?      
1 1 1 32 41 18 o 1.523000       1.564000      ?             ?      
1 1 1 32 41 19 o 3.204000       1.608000      ?             ?      
1 1 1 32 41 20 o -0.7884000     1.642000      ?             ?      
1 1 1 32 41 21 o 2.409000       1.662000      ?             ?      
1 1 1 32 41 22 o 1.833000       2.201000      ?             ?      
1 1 1 32 41 23 o -0.6343000     1.659000      ?             ?      
1 1 1 32 41 24 o 1.834000       1.417000      ?             ?      
1 1 1 32 41 25 o 0.7057000      1.361000      ?             ?      
1 1 1 32 41 26 o 2.124000       1.616000      ?             ?      
1 1 1 32 41 27 o 0.8252000      2.078000      ?             ?      
1 1 1 32 41 28 o 2.220000       1.563000      ?             ?      
1 1 1 32 41 29 o -0.7256000     1.304000      ?             ?      
1 1 1 32 41 30 o 0.7524000      1.301000      ?             ?      
1 1 1 32 41 31 o -0.2853000     1.290000      ?             ?      
1 1 1 32 41 32 o 0.3805000      1.293000      ?             ?      
1 1 1 32 41 33 o -0.1590000     1.292000      ?             ?      
1 1 1 32 41 34 o 0.7089000      1.280000      ?             ?      
1 1 1 32 41 35 o 1.698000       1.268000      ?             ?      
1 1 1 32 41 36 o 0.9581000      1.262000      ?             ?      
1 1 1 32 41 37 o -0.7578000     1.243000      ?             ?      
1 1 1 32 41 38 o 0.7697000      1.235000      ?             ?      
1 1 1 32 41 39 o 1.091000       1.253000      ?             ?      
1 1 1 32 41 40 o 0.4438000      1.277000      ?             ?      
1 1 1 32 41 41 o 1.167000       1.281000      ?             ?      
1 1 1 32 41 42 o 2.729000       2.424000      ?             ?      
1 1 1 32 42 0  o 0.2461000      1.262000      ?             ?      
1 1 1 32 42 1  o -1.210000      0.9705000     ?             ?      
1 1 1 32 42 2  o -0.6127000     0.9803000     ?             ?      
1 1 1 32 42 3  o 1.544000       1.015000      ?             ?      
1 1 1 32 42 4  o -0.3172000     1.208000      ?             ?      
1 1 1 32 42 5  o -1.098000      1.194000      ?             ?      
1 1 1 32 42 6  o -0.4222000     1.114000      ?             ?      
1 1 1 32 42 7  o 0.9071000      1.110000      ?             ?      
1 1 1 32 42 8  o -1.542000      1.124000      ?             ?      
1 1 1 32 42 9  o -0.9423000     1.242000      ?             ?      
1 1 1 32 42 10 o -0.3895000     1.114000      ?             ?      
1 1 1 32 42 11 o 0.8739000      1.147000      ?             ?      
1 1 1 32 42 12 o 0.2761000      1.189000      ?             ?      
1 1 1 32 42 13 o 0.1455000      1.291000      ?             ?      
1 1 1 32 42 14 o -1.139000      1.301000      ?             ?      
1 1 1 32 42 15 o -0.4203000     1.227000      ?             ?      
1 1 1 32 42 16 o -1.407000      1.207000      ?             ?      
1 1 1 32 42 17 o 1.888000       1.333000      ?             ?      
1 1 1 32 42 18 o 1.358000       1.575000      ?             ?      
1 1 1 32 42 19 o -1.344000      1.554000      ?             ?      
1 1 1 32 42 20 o 2.082000       1.623000      ?             ?      
1 1 1 32 42 21 o 5.509000       2.247000      ?             ?      
1 1 1 32 42 22 o -1.276000      2.122000      ?             ?      
1 1 1 32 42 23 o 0.3877000      1.636000      ?             ?      
1 1 1 32 42 24 o 0.6423000      1.610000      ?             ?      
1 1 1 32 42 25 o -0.4809000E-01 1.363000      ?             ?      
1 1 1 32 42 26 o -0.7771000     1.403000      ?             ?      
1 1 1 32 42 27 o 1.584000       1.567000      ?             ?      
1 1 1 32 42 28 o -0.1170000     1.570000      ?             ?      
1 1 1 32 42 29 o 1.872000       1.325000      ?             ?      
1 1 1 32 42 30 o 0.7128000      1.300000      ?             ?      
1 1 1 32 42 31 o 0.8047000E-01  1.291000      ?             ?      
1 1 1 32 42 32 o -1.292000      1.280000      ?             ?      
1 1 1 32 42 33 o 1.760000       1.341000      ?             ?      
1 1 1 32 42 34 o -0.1265000     1.281000      ?             ?      
1 1 1 32 42 35 o 0.6379000E-01  1.280000      ?             ?      
1 1 1 32 42 36 o -1.452000      1.267000      ?             ?      
1 1 1 32 42 37 o -0.2274000     1.252000      ?             ?      
1 1 1 32 42 38 o -0.8446000     1.304000      ?             ?      
1 1 1 32 42 39 o 0.3639000      1.273000      ?             ?      
1 1 1 32 42 40 o 1.542000       1.285000      ?             ?      
1 1 1 32 42 41 o -8.984000      4.465000      ?             ?      
1 1 1 32 43 0  o -2.400000      1.458000      ?             ?      
1 1 1 32 43 1  o 0.7810000      0.9468000     ?             ?      
1 1 1 32 43 2  o -0.3674000     0.9889000     ?             ?      
1 1 1 32 43 3  o 0.1621000      0.9087000     ?             ?      
1 1 1 32 43 4  o -0.4350000     1.194000      ?             ?      
1 1 1 32 43 5  o -1.033000      1.203000      ?             ?      
1 1 1 32 43 6  o -1.243000      1.256000      ?             ?      
1 1 1 32 43 7  o 0.9047000      1.256000      ?             ?      
1 1 1 32 43 8  o -0.2743000     1.102000      ?             ?      
1 1 1 32 43 9  o 0.7239000      1.108000      ?             ?      
1 1 1 32 43 10 o 0.3082000      1.179000      ?             ?      
1 1 1 32 43 11 o 0.4360000      1.168000      ?             ?      
1 1 1 32 43 12 o -1.031000      1.159000      ?             ?      
1 1 1 32 43 13 o 0.4638000      1.165000      ?             ?      
1 1 1 32 43 14 o -0.4533000E-01 1.170000      ?             ?      
1 1 1 32 43 15 o 1.319000       1.241000      ?             ?      
1 1 1 32 43 16 o 0.4297000      1.205000      ?             ?      
1 1 1 32 43 17 o 1.230000       1.374000      ?             ?      
1 1 1 32 43 18 o 0.8033000      1.573000      ?             ?      
1 1 1 32 43 19 o 4.233000       1.608000      ?             ?      
1 1 1 32 43 20 o 0.4644000      2.101000      ?             ?      
1 1 1 32 43 21 o 1.007000       2.146000      ?             ?      
1 1 1 32 43 22 o 0.6216000      2.122000      ?             ?      
1 1 1 32 43 23 o 0.4191000      1.671000      ?             ?      
1 1 1 32 43 24 o -1.235000      1.558000      ?             ?      
1 1 1 32 43 25 o 2.054000       1.424000      ?             ?      
1 1 1 32 43 26 o 0.8362000E-01  1.633000      ?             ?      
1 1 1 32 43 27 o -1.064000      1.548000      ?             ?      
1 1 1 32 43 28 o 0.9752000      1.352000      ?             ?      
1 1 1 32 43 29 o -1.269000      1.334000      ?             ?      
1 1 1 32 43 30 o 0.8373000      1.303000      ?             ?      
1 1 1 32 43 31 o -0.1100000     1.313000      ?             ?      
1 1 1 32 43 32 o 0.9773000      1.310000      ?             ?      
1 1 1 32 43 33 o 0.3590000      1.306000      ?             ?      
1 1 1 32 43 34 o -0.1313000E-01 1.316000      ?             ?      
1 1 1 32 43 35 o 0.2044000      1.495000      ?             ?      
1 1 1 32 43 36 o 2.559000       1.308000      ?             ?      
1 1 1 32 43 37 o 0.1470000E-01  1.339000      ?             ?      
1 1 1 32 43 38 o 0.7138000      1.304000      ?             ?      
1 1 1 32 43 39 o 2.185000       3.267000      ?             ?      
1 1 1 32 44 0  o -0.6337000     1.439000      ?             ?      
1 1 1 32 44 1  o -0.5453000     0.9413000     ?             ?      
1 1 1 32 44 2  o 0.3207000      0.9819000     ?             ?      
1 1 1 32 44 3  o -0.3654000     0.9691000     ?             ?      
1 1 1 32 44 4  o 0.2554000      1.418000      ?             ?      
1 1 1 32 44 5  o 1.178000       1.062000      ?             ?      
1 1 1 32 44 6  o -0.6340000E-01 1.084000      ?             ?      
1 1 1 32 44 7  o 0.5219000      1.095000      ?             ?      
1 1 1 32 44 8  o -0.4864000     1.132000      ?             ?      
1 1 1 32 44 9  o -1.595000      1.123000      ?             ?      
1 1 1 32 44 10 o 2.109000       1.123000      ?             ?      
1 1 1 32 44 11 o 0.1417000      1.107000      ?             ?      
1 1 1 32 44 12 o 0.7735000E-01  1.114000      ?             ?      
1 1 1 32 44 13 o -0.1487000     1.119000      ?             ?      
1 1 1 32 44 14 o 0.4481000      1.152000      ?             ?      
1 1 1 32 44 15 o -0.5915000     1.173000      ?             ?      
1 1 1 32 44 16 o 2.140000       1.218000      ?             ?      
1 1 1 32 44 17 o 0.2192000E-01  1.353000      ?             ?      
1 1 1 32 44 18 o 4.678000       1.586000      ?             ?      
1 1 1 32 44 19 o 0.2446000      1.567000      ?             ?      
1 1 1 32 44 20 o -0.5376000     2.123000      ?             ?      
1 1 1 32 44 21 o 0.3496000      2.195000      ?             ?      
1 1 1 32 44 22 o -1.576000      1.618000      ?             ?      
1 1 1 32 44 23 o 0.7744000E-01  1.558000      ?             ?      
1 1 1 32 44 24 o -1.486000      1.597000      ?             ?      
1 1 1 32 44 25 o 0.2854000      1.625000      ?             ?      
1 1 1 32 44 26 o -3.376000      2.054000      ?             ?      
1 1 1 32 44 27 o 0.6616000      1.591000      ?             ?      
1 1 1 32 44 28 o -0.9750000     1.338000      ?             ?      
1 1 1 32 44 29 o 0.3817000      1.345000      ?             ?      
1 1 1 32 44 30 o 0.2569000      1.307000      ?             ?      
1 1 1 32 44 31 o -0.8841000E-01 1.315000      ?             ?      
1 1 1 32 44 32 o 0.1719000      1.312000      ?             ?      
1 1 1 32 44 33 o 1.474000       1.326000      ?             ?      
1 1 1 32 44 34 o 0.1914000      1.311000      ?             ?      
1 1 1 32 44 35 o 1.639000       1.322000      ?             ?      
1 1 1 32 44 36 f 1.734000       1.371000      ?             ?      
1 1 1 32 44 37 o 0.6952000      1.720000      ?             ?      
1 1 1 32 44 38 o -0.8054000E-01 3.281000      ?             ?      
1 1 1 32 45 0  o 1.179000       1.424000      ?             ?      
1 1 1 32 45 1  o 1.234000       1.017000      ?             ?      
1 1 1 32 45 2  o -0.6965000     0.9796000     ?             ?      
1 1 1 32 45 3  o 1.042000       0.8933000     ?             ?      
1 1 1 32 45 4  o 0.9341000      1.193000      ?             ?      
1 1 1 32 45 5  o -0.2752000     1.105000      ?             ?      
1 1 1 32 45 6  o -0.8608000E-01 1.124000      ?             ?      
1 1 1 32 45 7  o -0.6023000     1.067000      ?             ?      
1 1 1 32 45 8  o -1.813000      1.067000      ?             ?      
1 1 1 32 45 9  o 0.1046000      1.086000      ?             ?      
1 1 1 32 45 10 o 0.3576000      1.105000      ?             ?      
1 1 1 32 45 11 o -1.734000      1.112000      ?             ?      
1 1 1 32 45 12 o 0.3764000      1.117000      ?             ?      
1 1 1 32 45 13 o 0.5059000      1.134000      ?             ?      
1 1 1 32 45 14 o -0.3651000     1.219000      ?             ?      
1 1 1 32 45 15 o -0.6823000     1.181000      ?             ?      
1 1 1 32 45 16 o 0.4439000E-01  1.183000      ?             ?      
1 1 1 32 45 17 o 1.402000       1.340000      ?             ?      
1 1 1 32 45 18 o 1.657000       1.538000      ?             ?      
1 1 1 32 45 19 o 1.369000       2.077000      ?             ?      
1 1 1 32 45 20 o 1.290000       2.092000      ?             ?      
1 1 1 32 45 21 o 0.8700000      1.720000      ?             ?      
1 1 1 32 45 22 o -2.086000      1.604000      ?             ?      
1 1 1 32 45 23 o 0.8090000E-01  1.561000      ?             ?      
1 1 1 32 45 24 o 0.6857000      1.623000      ?             ?      
1 1 1 32 45 25 o -0.6442000     2.132000      ?             ?      
1 1 1 32 45 26 o 1.345000       2.131000      ?             ?      
1 1 1 32 45 27 o 0.5368000      1.622000      ?             ?      
1 1 1 32 45 28 o 0.1897000      1.351000      ?             ?      
1 1 1 32 45 29 o -0.3817000     1.341000      ?             ?      
1 1 1 32 45 30 o -0.7068000     1.075000      ?             ?      
1 1 1 32 45 31 o 1.042000       1.065000      ?             ?      
1 1 1 32 45 32 o 2.121000       1.330000      ?             ?      
1 1 1 32 45 33 o 1.517000       1.335000      ?             ?      
1 1 1 32 45 34 o 0.2685000      1.320000      ?             ?      
1 1 1 32 45 35 o -1.380000      1.364000      ?             ?      
1 1 1 32 45 36 o -3.075000      1.709000      ?             ?      
1 1 1 32 46 0  o -1.345000      1.406000      ?             ?      
1 1 1 32 46 1  o 1.149000       1.088000      ?             ?      
1 1 1 32 46 2  o -0.4490000     1.020000      ?             ?      
1 1 1 32 46 3  o -0.4956000     0.8891000     ?             ?      
1 1 1 32 46 4  o 0.2026000      1.082000      ?             ?      
1 1 1 32 46 5  o 1.521000       1.052000      ?             ?      
1 1 1 32 46 6  o -0.1136000     1.075000      ?             ?      
1 1 1 32 46 7  o -0.1160000     1.067000      ?             ?      
1 1 1 32 46 8  o -0.9590000E-01 1.077000      ?             ?      
1 1 1 32 46 9  o 0.7719000E-01  1.082000      ?             ?      
1 1 1 32 46 10 o -0.1650000E-01 1.108000      ?             ?      
1 1 1 32 46 11 o 1.204000       1.132000      ?             ?      
1 1 1 32 46 12 o -0.9431000     1.154000      ?             ?      
1 1 1 32 46 13 o 2.241000       1.139000      ?             ?      
1 1 1 32 46 14 o 0.9065000E-01  1.143000      ?             ?      
1 1 1 32 46 15 o -0.4231000     1.157000      ?             ?      
1 1 1 32 46 16 o 0.3181000      1.204000      ?             ?      
1 1 1 32 46 17 o -0.5839000     1.323000      ?             ?      
1 1 1 32 46 18 o 0.4603000      2.065000      ?             ?      
1 1 1 32 46 19 o -0.6666000E-01 2.115000      ?             ?      
1 1 1 32 46 20 o 1.027000       2.148000      ?             ?      
1 1 1 32 46 21 o -0.8155000E-01 1.689000      ?             ?      
1 1 1 32 46 22 o 0.6159000      1.554000      ?             ?      
1 1 1 32 46 23 o -1.656000      1.563000      ?             ?      
1 1 1 32 46 24 o 0.1621000      1.661000      ?             ?      
1 1 1 32 46 25 o -0.6540000     2.133000      ?             ?      
1 1 1 32 46 26 f -0.9657000     2.113000      ?             ?      
1 1 1 32 46 27 o -0.7423000     2.906000      ?             ?      
1 1 1 32 46 28 o -0.4431000     1.582000      ?             ?      
1 1 1 32 46 29 o 0.5165000      1.182000      ?             ?      
1 1 1 32 46 30 o 0.3827000      1.376000      ?             ?      
1 1 1 32 46 31 o 0.2426000      1.352000      ?             ?      
1 1 1 32 46 32 o -0.7100000E-01 1.342000      ?             ?      
1 1 1 32 46 33 o 2.296000       1.640000      ?             ?      
1 1 1 32 46 34 o 3.614000       3.172000      ?             ?      
1 1 1 32 46 35 < 0.000000       -1.000000     ?             ?      
1 1 1 32 47 0  o 0.1475000      1.422000      ?             ?      
1 1 1 32 47 1  o -1.796000      1.033000      ?             ?      
1 1 1 32 47 2  o 0.4746000      0.8811000     ?             ?      
1 1 1 32 47 3  o -0.3007000     0.8766000     ?             ?      
1 1 1 32 47 4  o 0.7378000      1.146000      ?             ?      
1 1 1 32 47 5  o 1.044000       1.086000      ?             ?      
1 1 1 32 47 6  o -1.696000      1.134000      ?             ?      
1 1 1 32 47 7  o 1.222000       1.089000      ?             ?      
1 1 1 32 47 8  o -0.4861000     1.089000      ?             ?      
1 1 1 32 47 9  o -1.537000      1.114000      ?             ?      
1 1 1 32 47 10 o 0.8287000      1.131000      ?             ?      
1 1 1 32 47 11 o 0.6844000      1.113000      ?             ?      
1 1 1 32 47 12 o 0.3392000      1.136000      ?             ?      
1 1 1 32 47 13 o 1.108000       1.142000      ?             ?      
1 1 1 32 47 14 o -0.6142000     1.137000      ?             ?      
1 1 1 32 47 15 o 1.158000       1.148000      ?             ?      
1 1 1 32 47 16 o -0.5499000     1.164000      ?             ?      
1 1 1 32 47 17 o -2.060000      1.530000      ?             ?      
1 1 1 32 47 18 o -1.188000      2.042000      ?             ?      
1 1 1 32 47 19 o 1.633000       2.142000      ?             ?      
1 1 1 32 47 20 o 1.557000       1.628000      ?             ?      
1 1 1 32 47 21 o 1.043000       1.652000      ?             ?      
1 1 1 32 47 22 o 0.1915000E-01  1.566000      ?             ?      
1 1 1 32 47 23 o 0.3892000E-01  1.633000      ?             ?      
1 1 1 32 47 24 o -0.9977000     2.131000      ?             ?      
1 1 1 32 47 25 o 2.385000       2.117000      ?             ?      
1 1 1 32 47 26 o -0.6177000E-01 1.649000      ?             ?      
1 1 1 32 47 27 o -0.6619000     1.618000      ?             ?      
1 1 1 32 47 28 o 1.063000       1.621000      ?             ?      
1 1 1 32 47 29 o 0.2983000      1.638000      ?             ?      
1 1 1 32 47 30 o 1.448000       1.599000      ?             ?      
1 1 1 32 47 31 o 0.6544000      1.350000      ?             ?      
1 1 1 32 47 32 o -1.841000      1.607000      ?             ?      
1 1 1 32 47 33 o 0.8329000      3.179000      ?             ?      
1 1 1 32 48 0  o 0.7082000      1.422000      ?             ?      
1 1 1 32 48 1  o 0.8534000      1.045000      ?             ?      
1 1 1 32 48 2  o -0.3434000     0.8747000     ?             ?      
1 1 1 32 48 3  o 0.8811000E-01  0.8759000     ?             ?      
1 1 1 32 48 4  o -0.1852000     1.193000      ?             ?      
1 1 1 32 48 5  o 2.075000       1.232000      ?             ?      
1 1 1 32 48 6  o -0.7775000     1.085000      ?             ?      
1 1 1 32 48 7  o 1.764000       1.157000      ?             ?      
1 1 1 32 48 8  o -0.9965000     1.118000      ?             ?      
1 1 1 32 48 9  o -0.5991000     1.124000      ?             ?      
1 1 1 32 48 10 o 0.5808000      1.118000      ?             ?      
1 1 1 32 48 11 o 0.1511000      1.126000      ?             ?      
1 1 1 32 48 12 o -1.825000      1.125000      ?             ?      
1 1 1 32 48 13 o -1.107000      1.141000      ?             ?      
1 1 1 32 48 14 o 0.7480000E-02  1.150000      ?             ?      
1 1 1 32 48 15 o -0.9891000     1.136000      ?             ?      
1 1 1 32 48 16 o -0.3279000     1.170000      ?             ?      
1 1 1 32 48 17 o 3.393000       2.067000      ?             ?      
1 1 1 32 48 18 o -1.929000      2.069000      ?             ?      
1 1 1 32 48 19 o -0.3168000     1.586000      ?             ?      
1 1 1 32 48 20 o 1.521000       1.582000      ?             ?      
1 1 1 32 48 21 o -0.1718000     1.637000      ?             ?      
1 1 1 32 48 22 o -1.129000      1.587000      ?             ?      
1 1 1 32 48 23 o -0.4184000     1.658000      ?             ?      
1 1 1 32 48 24 o -0.1768000     2.213000      ?             ?      
1 1 1 32 48 25 o 0.9185000      2.130000      ?             ?      
1 1 1 32 48 26 o 0.9890000      1.606000      ?             ?      
1 1 1 32 48 27 o -0.3908000     1.610000      ?             ?      
1 1 1 32 48 28 o -0.4620000     1.593000      ?             ?      
1 1 1 32 48 29 o -0.6721000E-01 1.591000      ?             ?      
1 1 1 32 48 30 o -1.144000      1.620000      ?             ?      
1 1 1 32 48 31 o -0.6741000     1.621000      ?             ?      
1 1 1 32 49 0  o 0.1643000      1.439000      ?             ?      
1 1 1 32 49 1  o 1.252000       0.9966000     ?             ?      
1 1 1 32 49 2  o -0.1956000     0.9110000     ?             ?      
1 1 1 32 49 3  o -0.1058000     0.8901000     ?             ?      
1 1 1 32 49 4  o 0.2497000      1.079000      ?             ?      
1 1 1 32 49 5  o 0.7407000      1.053000      ?             ?      
1 1 1 32 49 6  o 0.5814000      1.083000      ?             ?      
1 1 1 32 49 7  o -0.1085000     1.101000      ?             ?      
1 1 1 32 49 8  o -0.8837000     1.256000      ?             ?      
1 1 1 32 49 9  o 1.080000       1.285000      ?             ?      
1 1 1 32 49 10 o -1.132000      1.130000      ?             ?      
1 1 1 32 49 11 o 0.3473000      1.167000      ?             ?      
1 1 1 32 49 12 o 0.5540000      1.191000      ?             ?      
1 1 1 32 49 13 o -0.9569000E-01 1.158000      ?             ?      
1 1 1 32 49 14 o 0.4599000E-01  1.152000      ?             ?      
1 1 1 32 49 15 o 0.1808000      1.178000      ?             ?      
1 1 1 32 49 16 o -1.555000      1.544000      ?             ?      
1 1 1 32 49 17 o -0.5354000     1.055000      ?             ?      
1 1 1 32 49 18 o -0.5752000     2.069000      ?             ?      
1 1 1 32 49 19 o 1.940000       1.559000      ?             ?      
1 1 1 32 49 20 o -0.5193000     1.578000      ?             ?      
1 1 1 32 49 21 o -0.8900000     1.595000      ?             ?      
1 1 1 32 49 22 o 1.118000       1.640000      ?             ?      
1 1 1 32 49 23 o -0.4520000     2.168000      ?             ?      
1 1 1 32 49 24 o 1.117000       2.211000      ?             ?      
1 1 1 32 49 25 o -0.8432000     1.655000      ?             ?      
1 1 1 32 49 26 o -1.593000      1.609000      ?             ?      
1 1 1 32 49 27 o 4.705000       1.682000      ?             ?      
1 1 1 32 49 28 o -1.625000      1.609000      ?             ?      
1 1 1 32 49 29 o -1.542000      3.011000      ?             ?      
1 1 1 32 50 0  o -2.192000      1.729000      ?             ?      
1 1 1 32 50 1  o -0.4593000     1.070000      ?             ?      
1 1 1 32 50 2  o 0.1180000      1.954000      ?             ?      
1 1 1 32 50 3  o -1.600000      1.057000      ?             ?      
1 1 1 32 50 4  o -1.096000      1.080000      ?             ?      
1 1 1 32 50 5  o -1.131000      1.067000      ?             ?      
1 1 1 32 50 6  o -0.4102000     1.103000      ?             ?      
1 1 1 32 50 7  o -0.4079000     1.100000      ?             ?      
1 1 1 32 50 8  o -0.1166000     1.107000      ?             ?      
1 1 1 32 50 9  o -0.1154000     1.117000      ?             ?      
1 1 1 32 50 10 o -1.789000      1.140000      ?             ?      
1 1 1 32 50 11 o 0.1373000E-01  1.298000      ?             ?      
1 1 1 32 50 12 o -0.9320000     1.327000      ?             ?      
1 1 1 32 50 13 o -1.347000      1.156000      ?             ?      
1 1 1 32 50 14 o 2.554000       1.215000      ?             ?      
1 1 1 32 50 15 o -0.4015000     1.333000      ?             ?      
1 1 1 32 50 16 o 1.169000       1.584000      ?             ?      
1 1 1 32 50 17 o -0.3282000     1.130000      ?             ?      
1 1 1 32 50 18 o 1.172000       1.545000      ?             ?      
1 1 1 32 50 19 o -0.8274000     1.554000      ?             ?      
1 1 1 32 50 20 o -0.1000000     1.545000      ?             ?      
1 1 1 32 50 21 o 1.099000       1.658000      ?             ?      
1 1 1 32 50 22 o 0.8792000      1.660000      ?             ?      
1 1 1 32 50 23 o -0.8241000     1.646000      ?             ?      
1 1 1 32 50 24 o -1.959000      2.195000      ?             ?      
1 1 1 32 50 25 o 0.5412000      1.629000      ?             ?      
1 1 1 32 50 26 o 2.834000       1.662000      ?             ?      
1 1 1 32 51 0  o 2.054000       2.508000      ?             ?      
1 1 1 32 51 1  o 0.1031000      1.068000      ?             ?      
1 1 1 32 51 2  o 1.279000       1.044000      ?             ?      
1 1 1 32 51 3  o -1.028000      0.8609000     ?             ?      
1 1 1 32 51 4  o -0.7405000     1.211000      ?             ?      
1 1 1 32 51 5  o -0.4184000     1.382000      ?             ?      
1 1 1 32 51 6  o -2.180000      1.260000      ?             ?      
1 1 1 32 51 7  o 0.9040000      1.126000      ?             ?      
1 1 1 32 51 8  o 0.6724000      1.132000      ?             ?      
1 1 1 32 51 9  o -0.1873000     1.137000      ?             ?      
1 1 1 32 51 10 o 0.6797000      1.135000      ?             ?      
1 1 1 32 51 11 o -0.8427000     1.143000      ?             ?      
1 1 1 32 51 12 o -1.039000      1.147000      ?             ?      
1 1 1 32 51 13 o 0.4718000      1.163000      ?             ?      
1 1 1 32 51 14 o 0.8600000      1.379000      ?             ?      
1 1 1 32 51 15 o -1.153000      1.031000      ?             ?      
1 1 1 32 51 16 o 0.4824000      2.303000      ?             ?      
1 1 1 32 51 17 o -0.2744000     1.379000      ?             ?      
1 1 1 32 51 18 o -2.194000      1.567000      ?             ?      
1 1 1 32 51 19 o 0.8103000      1.558000      ?             ?      
1 1 1 32 51 20 o -0.1315000E-01 1.616000      ?             ?      
1 1 1 32 51 21 o -0.9018000     1.646000      ?             ?      
1 1 1 32 51 22 o 2.518000       2.215000      ?             ?      
1 1 1 32 51 23 o -1.172000      1.590000      ?             ?      
1 1 1 32 51 24 o -1.204000      2.701000      ?             ?      
1 1 1 32 52 0  o -2.530000      1.528000      ?             ?      
1 1 1 32 52 1  o -1.039000      0.9672000     ?             ?      
1 1 1 32 52 2  o 0.2031000      0.9580000     ?             ?      
1 1 1 32 52 3  o -0.3922000E-01 0.8709000     ?             ?      
1 1 1 32 52 4  o 1.260000       1.178000      ?             ?      
1 1 1 32 52 5  o -1.419000      1.143000      ?             ?      
1 1 1 32 52 6  o -0.5232000     1.136000      ?             ?      
1 1 1 32 52 7  o 2.854000       1.261000      ?             ?      
1 1 1 32 52 8  o 0.9079000      1.014000      ?             ?      
1 1 1 32 52 9  o 0.2842000      1.335000      ?             ?      
1 1 1 32 52 10 o 1.363000       1.160000      ?             ?      
1 1 1 32 52 11 o 0.5349000      1.151000      ?             ?      
1 1 1 32 52 12 o 3.939000       2.107000      ?             ?      
1 1 1 32 52 13 o -0.3011000     1.161000      ?             ?      
1 1 1 32 52 14 o 1.802000       1.533000      ?             ?      
1 1 1 32 52 15 o -0.1560000     1.037000      ?             ?      
1 1 1 32 52 16 o 0.9895000      1.420000      ?             ?      
1 1 1 32 52 17 o -1.548000      1.357000      ?             ?      
1 1 1 32 52 18 o 0.2851000      3.968000      ?             ?      
1 1 1 32 52 19 o 0.1802000      2.100000      ?             ?      
1 1 1 32 52 20 o -0.5338000     2.155000      ?             ?      
1 1 1 32 52 21 o -0.2229000     4.145000      ?             ?      
1 1 1 32 53 0  o 0.7746000      1.289000      ?             ?      
1 1 1 32 53 1  o 0.5910000      0.9908000     ?             ?      
1 1 1 32 53 2  o -0.8268000     0.9100000     ?             ?      
1 1 1 32 53 3  o -0.7962000     0.9184000     ?             ?      
1 1 1 32 53 4  o 1.735000       1.114000      ?             ?      
1 1 1 32 53 5  o -0.3185000     1.113000      ?             ?      
1 1 1 32 53 6  o 0.7977000      1.142000      ?             ?      
1 1 1 32 53 7  o -0.4557000     1.151000      ?             ?      
1 1 1 32 53 8  o -0.6229000     1.152000      ?             ?      
1 1 1 32 53 9  o 1.108000       1.144000      ?             ?      
1 1 1 32 53 10 o -0.7562000     1.156000      ?             ?      
1 1 1 32 53 11 o -2.197000      2.368000      ?             ?      
1 1 1 32 53 12 o -2.110000      1.503000      ?             ?      
1 1 1 32 53 13 o -0.7061000     1.513000      ?             ?      
1 1 1 32 53 14 o 0.8526000      2.031000      ?             ?      
1 1 1 32 53 15 o -1.854000      2.073000      ?             ?      
1 1 1 32 53 16 o -0.8620000     1.531000      ?             ?      
1 1 1 32 53 17 o -5.329000      2.881000      ?             ?      
1 1 1 32 54 0  o 1.124000       1.297000      ?             ?      
1 1 1 32 54 1  o -0.6660000     0.9832000     ?             ?      
1 1 1 32 54 2  o -0.2059000     0.9188000     ?             ?      
1 1 1 32 54 3  o -0.5481000     0.9262000     ?             ?      
1 1 1 32 54 4  o -1.881000      1.116000      ?             ?      
1 1 1 32 54 5  o -1.052000      1.113000      ?             ?      
1 1 1 32 54 6  o 1.348000       1.132000      ?             ?      
1 1 1 32 54 7  o 1.079000       1.125000      ?             ?      
1 1 1 32 54 8  o 2.045000       2.280000      ?             ?      
1 1 1 32 54 9  o -1.821000      1.250000      ?             ?      
1 1 1 32 54 10 o 2.242000       2.750000      ?             ?      
1 1 1 32 54 11 o 2.237000       2.769000      ?             ?      
1 1 1 32 54 12 o -1.687000      1.823000      ?             ?      
1 1 1 32 54 13 < 0.000000       -1.000000     ?             ?      
1 1 1 32 55 0  o -1.392000      1.391000      ?             ?      
1 1 1 32 55 1  o 1.322000       1.094000      ?             ?      
1 1 1 32 55 2  o -0.5374000E-01 1.533000      ?             ?      
1 1 1 32 55 3  o 0.2206000      1.033000      ?             ?      
1 1 1 32 55 4  o -0.3350000E-01 2.259000      ?             ?      
1 1 1 32 55 5  < 0.000000       -1.000000     ?             ?      
1 1 1 33 0  1  o -1.593000      1.605000      47.65533      90.0   
1 1 1 33 0  2  o -1.868000      1.605000      143.7026      -180.0 
1 1 1 33 0  3  o -1.063000      1.570000      110.3884      90.0   
1 1 1 33 0  4  o -0.4868000     1.546000      106.5032      -0.0   
1 1 1 33 0  5  o -3.868000      1.523000      30.86371      90.0   
1 1 1 33 0  6  o 0.7685000      1.541000      23.44161      -180.0 
1 1 1 33 0  7  o 1.614000       1.534000      46.13841      90.0   
1 1 1 33 0  8  o -2.924000      1.667000      3.516017      -180.0 
1 1 1 33 0  9  o -2.794000      1.760000      37.29524      90.0   
1 1 1 33 0  10 o -0.1859000     1.683000      120.0708      -0.0   
1 1 1 33 0  11 o -2.144000      1.715000      145.6307      -90.0  
1 1 1 33 0  12 o 0.3856000      2.044000      80.25745      180.0  
1 1 1 33 0  13 o -1.100000      2.592000      79.95649      90.0   
1 1 1 33 0  14 o -0.5080000     2.558000      13.92267      180.0  
1 1 1 33 0  15 o -1.609000      2.596000      64.46548      90.0   
1 1 1 33 0  16 o 1.117000       2.724000      85.90218      180.0  
1 1 1 33 0  17 o -0.9802000     3.887000      150.3853      -90.0  
1 1 1 33 0  18 o 1.414000       2.521000      31.79175      180.0  
1 1 1 33 0  19 o 1.581000       1.930000      66.79628      -90.0  
1 1 1 33 0  20 o 0.5947000      1.690000      92.12854      0.0    
1 1 1 33 0  21 o 1.694000       1.511000      11.42303      -90.0  
1 1 1 33 0  22 o -3.193000      1.507000      113.3904      -0.0   
1 1 1 33 0  23 o 0.6224000      1.540000      83.35097      -90.0  
1 1 1 33 0  24 o -0.1179000     1.516000      90.00488      -0.0   
1 1 1 33 0  25 o -1.054000      1.535000      4.446924      90.0   
1 1 1 33 0  26 o 0.3602000      1.548000      100.3299      -0.0   
1 1 1 33 0  27 o 1.494000       1.570000      52.59917      -90.0  
1 1 1 33 0  28 o -0.9457000E-01 1.584000      0.2996129     -180.0 
1 1 1 33 0  29 o -1.597000      1.597000      0.3807836E-02 90.0   
1 1 1 33 0  30 o -0.2562000     1.595000      81.05416      180.0  
1 1 1 33 0  31 o 2.741000       1.763000      6.959071      -90.0  
1 1 1 33 0  32 o -0.5754000E-01 1.745000      71.13107      0.0    
1 1 1 33 0  33 o 1.458000       1.792000      17.71671      -90.0  
1 1 1 33 0  34 o -2.326000      1.812000      39.08511      0.0    
1 1 1 33 0  35 o 0.1968000E-01  1.834000      93.20514      -90.0  
1 1 1 33 0  36 f -1.472000      1.856000      105.7199      180.0  
1 1 1 33 0  37 o 1.479000       2.165000      61.45470      90.0   
1 1 1 33 0  38 o -3.048000      1.885000      44.53349      0.0    
1 1 1 33 0  39 o 2.562000       2.018000      66.84972      90.0   
1 1 1 33 0  40 o -0.8101000     2.030000      35.18980      0.0    
1 1 1 33 0  41 o -1.520000      1.794000      12.43884      -90.0  
1 1 1 33 0  42 o -0.1429000     2.235000      32.07138      180.0  
1 1 1 33 0  43 o -1.106000      2.213000      ?             ?      
1 1 1 33 0  44 o -3.605000      2.316000      ?             ?      
1 1 1 33 0  45 o -0.1898000     2.150000      ?             ?      
1 1 1 33 0  46 o 0.9693000      2.145000      ?             ?      
1 1 1 33 0  47 o -1.245000      1.801000      ?             ?      
1 1 1 33 0  48 o 0.1574000      1.607000      ?             ?      
1 1 1 33 0  49 o 2.667000       1.808000      ?             ?      
1 1 1 33 0  50 o -1.946000      1.624000      ?             ?      
1 1 1 33 0  51 o 2.243000       2.057000      ?             ?      
1 1 1 33 0  52 o 4.150000       2.042000      ?             ?      
1 1 1 33 0  53 o 1.674000       1.635000      ?             ?      
1 1 1 33 0  54 o -1.615000      1.627000      ?             ?      
1 1 1 33 0  55 o 0.1107000E-01  1.645000      ?             ?      
1 1 1 33 0  56 o 1.876000       1.686000      ?             ?      
1 1 1 33 0  57 o 2.020000       1.660000      ?             ?      
1 1 1 33 0  58 o 0.3866000      1.698000      ?             ?      
1 1 1 33 0  59 o 1.219000       1.715000      ?             ?      
1 1 1 33 0  60 o -0.7226000     1.751000      ?             ?      
1 1 1 33 0  61 o -0.8973000     2.163000      ?             ?      
1 1 1 33 0  62 o -0.5218000E-01 2.016000      ?             ?      
1 1 1 33 1  0  o -3.170000      1.590000      130.9083      90.0   
1 1 1 33 1  1  o 0.5725000      1.132000      113.9959      -149.9 
1 1 1 33 1  2  o -3.346000      1.123000      37.91183      82.3   
1 1 1 33 1  3  o -1.578000      1.103000      83.82145      -145.1 
1 1 1 33 1  4  o -0.3865000     1.093000      171.6066      157.7  
1 1 1 33 1  5  o -1.614000      1.075000      66.70992      -136.9 
1 1 1 33 1  6  o -0.4640000     1.076000      89.48475      120.7  
1 1 1 33 1  7  o -0.7267000     1.074000      29.70815      146.2  
1 1 1 33 1  8  o -2.338000      1.202000      106.7761      -84.3  
1 1 1 33 1  9  o -0.9698000     1.260000      77.37409      17.4   
1 1 1 33 1  10 o -2.324000      1.189000      11.16358      -172.9 
1 1 1 33 1  11 o 0.6451000      1.318000      117.5962      118.4  
1 1 1 33 1  12 o -0.7611000     1.341000      77.62760      -43.1  
1 1 1 33 1  13 o -0.3809000     1.486000      141.6949      -135.4 
1 1 1 33 1  14 o -0.8492000     2.019000      46.76094      29.4   
1 1 1 33 1  15 o 0.7681000      1.904000      66.97635      -72.4  
1 1 1 33 1  16 o -0.1854000     2.536000      33.83040      -139.9 
1 1 1 33 1  17 o 2.292000       2.339000      75.75778      -51.4  
1 1 1 33 1  18 o -1.638000      1.619000      67.85396      -120.4 
1 1 1 33 1  19 o 0.2811000      1.300000      86.38062      -51.5  
1 1 1 33 1  20 o -1.873000      1.131000      83.21642      141.6  
1 1 1 33 1  21 o -0.4905000E-01 1.137000      52.19450      118.6  
1 1 1 33 1  22 o -0.8701000     1.074000      3.788081      -53.0  
1 1 1 33 1  23 o 1.046000       1.089000      67.12710      41.7   
1 1 1 33 1  24 o 0.2125000      1.083000      176.6339      109.1  
1 1 1 33 1  25 o -0.1503000     1.079000      51.51262      132.6  
1 1 1 33 1  26 o 1.319000       1.091000      105.2178      142.8  
1 1 1 33 1  27 o -1.366000      1.100000      77.82832      143.7  
1 1 1 33 1  28 o 1.224000       1.131000      165.1552      -53.4  
1 1 1 33 1  29 o -2.679000      1.132000      52.34163      -167.7 
1 1 1 33 1  30 o 0.2626000      1.189000      79.13776      79.7   
1 1 1 33 1  31 o -0.3095000     1.193000      47.41465      -157.7 
1 1 1 33 1  32 o 0.5044000      1.254000      64.78828      -85.7  
1 1 1 33 1  33 o 1.697000       1.268000      154.1436      51.5   
1 1 1 33 1  34 o -1.604000      1.369000      32.64779      -91.5  
1 1 1 33 1  35 o 3.665000       1.371000      140.1394      -157.5 
1 1 1 33 1  36 o 1.158000       1.292000      113.1515      76.1   
1 1 1 33 1  37 o -1.481000      1.380000      54.47714      79.0   
1 1 1 33 1  38 o -0.6160000     1.388000      30.58655      -143.3 
1 1 1 33 1  39 o -1.222000      1.393000      48.05350      -127.2 
1 1 1 33 1  40 o 0.6943000E-02  1.355000      34.47259      -158.8 
1 1 1 33 1  41 o 0.6495000      1.287000      37.82069      -76.1  
1 1 1 33 1  42 o 0.4596000      1.508000      43.61421      59.3   
1 1 1 33 1  43 o -1.661000      1.769000      ?             ?      
1 1 1 33 1  44 o -2.643000      2.030000      ?             ?      
1 1 1 33 1  45 o 0.7842000      1.779000      ?             ?      
1 1 1 33 1  46 o -1.095000      1.665000      ?             ?      
1 1 1 33 1  47 o -0.3320000     1.312000      ?             ?      
1 1 1 33 1  48 o -0.7350000     1.151000      ?             ?      
1 1 1 33 1  49 o 2.460000       1.333000      ?             ?      
1 1 1 33 1  50 o 1.806000       1.171000      ?             ?      
1 1 1 33 1  51 o -0.9307000     1.213000      ?             ?      
1 1 1 33 1  52 o -0.7520000     1.213000      ?             ?      
1 1 1 33 1  53 o -0.4737000E-01 1.295000      ?             ?      
1 1 1 33 1  54 o -1.445000      1.295000      ?             ?      
1 1 1 33 1  55 o -1.272000      1.167000      ?             ?      
1 1 1 33 1  56 o 0.1120000      1.176000      ?             ?      
1 1 1 33 1  57 o -0.1211000     1.179000      ?             ?      
1 1 1 33 1  58 o 0.7930000      1.199000      ?             ?      
1 1 1 33 1  59 o 0.4732000E-01  1.210000      ?             ?      
1 1 1 33 1  60 o 0.2014000      1.384000      ?             ?      
1 1 1 33 1  61 o -0.9118000     1.552000      ?             ?      
1 1 1 33 1  62 o -0.5673000     2.051000      ?             ?      
1 1 1 33 2  0  o -1.593000      1.574000      168.6906      -90.0  
1 1 1 33 2  1  o -1.371000      1.117000      56.69199      -85.6  
1 1 1 33 2  2  o 0.1357000E-01  1.102000      66.53258      107.4  
1 1 1 33 2  3  o 1.678000       1.095000      241.2620      -73.3  
1 1 1 33 2  4  o 0.5356000      1.081000      117.0947      -17.5  
1 1 1 33 2  5  o 0.6427000      1.081000      133.0399      -101.0 
1 1 1 33 2  6  o -1.765000      1.078000      132.9388      58.7   
1 1 1 33 2  7  o -0.8087000     1.081000      169.5642      24.4   
1 1 1 33 2  8  o 0.1147000      1.206000      43.49747      -146.1 
1 1 1 33 2  9  o 1.301000       1.219000      215.9117      158.2  
1 1 1 33 2  10 o -3.042000      1.565000      165.5596      86.1   
1 1 1 33 2  11 o -0.5001000     1.324000      66.75928      -122.7 
1 1 1 33 2  12 o 0.7001000      1.393000      28.82528      4.4    
1 1 1 33 2  13 o 1.133000       1.721000      296.3431      88.5   
1 1 1 33 2  14 o -3.542000      2.092000      54.86843      -167.9 
1 1 1 33 2  15 o 1.865000       2.264000      22.26778      -76.2  
1 1 1 33 2  16 o -1.147000      1.869000      138.6407      -33.5  
1 1 1 33 2  17 o -1.451000      2.164000      135.9410      -7.3   
1 1 1 33 2  18 o 2.284000       1.966000      60.52448      -88.5  
1 1 1 33 2  19 o -1.214000      1.309000      102.4953      -55.2  
1 1 1 33 2  20 o 0.7082000      1.190000      127.5074      -18.1  
1 1 1 33 2  21 o 1.593000       1.152000      53.55413      103.4  
1 1 1 33 2  22 o 2.567000       1.104000      204.4270      111.0  
1 1 1 33 2  23 o 1.675000       1.086000      40.41383      -166.6 
1 1 1 33 2  24 o -0.1137000     1.078000      80.36598      -167.9 
1 1 1 33 2  25 o -0.1802000     1.072000      93.93816      -105.8 
1 1 1 33 2  26 o -0.3298000     1.084000      55.07632      69.5   
1 1 1 33 2  27 o 1.772000       1.107000      94.88641      -35.7  
1 1 1 33 2  28 o -0.5084000     1.122000      69.47827      5.2    
1 1 1 33 2  29 o -0.7259000     1.133000      58.23096      -33.3  
1 1 1 33 2  30 o -0.8319000     1.186000      59.60590      -105.6 
1 1 1 33 2  31 o 2.064000       1.210000      130.8991      91.5   
1 1 1 33 2  32 o 0.4958000      1.348000      74.27730      -166.9 
1 1 1 33 2  33 o 0.4328000      1.297000      158.9673      17.3   
1 1 1 33 2  34 o -0.1013000E-01 1.291000      67.46960      -15.6  
1 1 1 33 2  35 o 0.4807000      1.330000      105.0985      155.9  
1 1 1 33 2  36 o 0.7073000E-01  1.288000      52.52512      175.5  
1 1 1 33 2  37 o -1.431000      1.298000      33.20561      9.0    
1 1 1 33 2  38 o -0.5076000E-01 1.310000      61.76423      -88.4  
1 1 1 33 2  39 o 2.578000       1.286000      167.7822      78.0   
1 1 1 33 2  40 o 0.8101000      1.274000      162.8027      -19.0  
1 1 1 33 2  41 o 1.650000       1.308000      42.29341      -85.2  
1 1 1 33 2  42 o -1.090000      1.630000      ?             ?      
1 1 1 33 2  43 o 2.190000       2.128000      ?             ?      
1 1 1 33 2  44 o 1.071000       2.026000      ?             ?      
1 1 1 33 2  45 o 1.617000       1.497000      ?             ?      
1 1 1 33 2  46 o -1.791000      1.748000      ?             ?      
1 1 1 33 2  47 o -3.507000      1.537000      ?             ?      
1 1 1 33 2  48 o -1.519000      1.224000      ?             ?      
1 1 1 33 2  49 o 1.216000       1.151000      ?             ?      
1 1 1 33 2  50 o 0.6396000      1.141000      ?             ?      
1 1 1 33 2  51 o 0.9018000      1.139000      ?             ?      
1 1 1 33 2  52 o 1.671000       1.140000      ?             ?      
1 1 1 33 2  53 o -2.158000      1.197000      ?             ?      
1 1 1 33 2  54 o -0.3853000     1.222000      ?             ?      
1 1 1 33 2  55 o -1.300000      1.177000      ?             ?      
1 1 1 33 2  56 o 1.542000       1.339000      ?             ?      
1 1 1 33 2  57 o -0.4060000     1.178000      ?             ?      
1 1 1 33 2  58 o 0.4786000      1.206000      ?             ?      
1 1 1 33 2  59 o -0.3757000     1.223000      ?             ?      
1 1 1 33 2  60 o 1.858000       1.392000      ?             ?      
1 1 1 33 2  61 o -0.9274000     2.079000      ?             ?      
1 1 1 33 2  62 o -1.503000      2.008000      ?             ?      
1 1 1 33 3  0  o -2.161000      1.579000      68.68618      90.0   
1 1 1 33 3  1  o -0.8164000     1.101000      23.11534      17.9   
1 1 1 33 3  2  o 2.059000       1.108000      158.0724      56.8   
1 1 1 33 3  3  o -0.6720000     1.097000      48.16351      150.7  
1 1 1 33 3  4  o -0.1941000     1.091000      74.22594      128.9  
1 1 1 33 3  5  o 0.3829000      1.086000      152.8778      96.3   
1 1 1 33 3  6  o -0.2814000     1.078000      61.26901      74.3   
1 1 1 33 3  7  o -0.6256000     1.111000      115.4109      -135.8 
1 1 1 33 3  8  o 3.096000       1.211000      246.7171      -66.7  
1 1 1 33 3  9  o -0.5430000     1.226000      87.69241      -111.9 
1 1 1 33 3  10 o 2.210000       1.539000      120.4998      137.5  
1 1 1 33 3  11 o 0.8870000      1.349000      287.3648      136.6  
1 1 1 33 3  12 o 1.042000       1.371000      208.0265      -116.7 
1 1 1 33 3  13 o 1.494000       1.929000      246.2235      -7.8   
1 1 1 33 3  14 o 1.481000       2.703000      237.9465      27.3   
1 1 1 33 3  15 o -2.873000      2.275000      112.6740      119.6  
1 1 1 33 3  16 o 0.2764000      1.760000      93.93873      -130.4 
1 1 1 33 3  17 o -2.125000      2.054000      29.09402      151.5  
1 1 1 33 3  18 o 0.9595000      1.870000      92.55831      16.6   
1 1 1 33 3  19 o 0.1926000      1.295000      207.4394      -112.1 
1 1 1 33 3  20 o 0.9466000E-01  1.215000      245.0780      138.5  
1 1 1 33 3  21 o 1.366000       1.215000      180.5230      -133.0 
1 1 1 33 3  22 o -1.273000      1.182000      112.1365      118.4  
1 1 1 33 3  23 o -0.1703000     1.090000      196.0939      26.2   
1 1 1 33 3  24 o -0.6490000     1.070000      97.17991      -44.4  
1 1 1 33 3  25 o 0.8754000      1.066000      100.5829      -69.9  
1 1 1 33 3  26 o 1.669000       1.076000      86.01995      140.9  
1 1 1 33 3  27 o 1.504000       1.096000      166.0741      76.4   
1 1 1 33 3  28 o -1.217000      1.113000      29.98087      27.0   
1 1 1 33 3  29 o -1.525000      1.263000      131.0186      -174.7 
1 1 1 33 3  30 o -1.956000      1.270000      96.10338      -88.8  
1 1 1 33 3  31 o 1.546000       1.330000      75.70264      -150.3 
1 1 1 33 3  32 o 1.021000       1.279000      51.01888      129.3  
1 1 1 33 3  33 o 0.9116000      1.370000      194.6523      28.7   
1 1 1 33 3  34 o 0.6044000      1.276000      108.2980      -129.2 
1 1 1 33 3  35 o -0.1347000     1.260000      167.5967      110.0  
1 1 1 33 3  36 o -1.418000      1.272000      79.97971      -5.9   
1 1 1 33 3  37 o 0.2813000E-01  1.311000      103.5542      53.2   
1 1 1 33 3  38 o 2.258000       1.324000      186.0016      -144.9 
1 1 1 33 3  39 o -0.8261000     1.279000      167.6576      49.4   
1 1 1 33 3  40 o -0.4430000     1.250000      23.81301      -124.7 
1 1 1 33 3  41 o -2.468000      1.426000      87.40301      17.9   
1 1 1 33 3  42 o 0.6525000      1.622000      ?             ?      
1 1 1 33 3  43 o -0.4544000     2.017000      ?             ?      
1 1 1 33 3  44 o 0.9224000      2.066000      ?             ?      
1 1 1 33 3  45 o -0.7645000     1.541000      ?             ?      
1 1 1 33 3  46 o -0.2815000     1.416000      ?             ?      
1 1 1 33 3  47 o 1.119000       1.299000      ?             ?      
1 1 1 33 3  48 o 2.462000       1.238000      ?             ?      
1 1 1 33 3  49 o -2.040000      1.212000      ?             ?      
1 1 1 33 3  50 o -1.296000      1.129000      ?             ?      
1 1 1 33 3  51 o -2.050000      1.129000      ?             ?      
1 1 1 33 3  52 o -0.5522000     1.128000      ?             ?      
1 1 1 33 3  53 o 1.601000       1.132000      ?             ?      
1 1 1 33 3  54 o -1.700000      1.174000      ?             ?      
1 1 1 33 3  55 o 0.7470000      1.163000      ?             ?      
1 1 1 33 3  56 o -0.8258000     1.232000      ?             ?      
1 1 1 33 3  57 o 2.278000       1.197000      ?             ?      
1 1 1 33 3  58 o 1.213000       1.362000      ?             ?      
1 1 1 33 3  59 o 0.6001000E-01  1.382000      ?             ?      
1 1 1 33 3  60 o 0.8557000      1.402000      ?             ?      
1 1 1 33 3  61 o -2.148000      1.468000      ?             ?      
1 1 1 33 3  62 o 2.836000       2.069000      ?             ?      
1 1 1 33 4  0  o 6.817000       1.660000      711.3158      -90.0  
1 1 1 33 4  1  o 0.8634000      1.121000      166.9181      -44.4  
1 1 1 33 4  2  o -0.3280000     1.091000      41.55847      -85.0  
1 1 1 33 4  3  o 0.7543000E-02  1.079000      128.0193      -117.1 
1 1 1 33 4  4  o 0.6339000E-01  1.079000      168.0297      -173.6 
1 1 1 33 4  5  o -0.2493000     1.093000      188.4859      -141.2 
1 1 1 33 4  6  o 1.425000       1.106000      233.5245      6.9    
1 1 1 33 4  7  o 2.389000       1.142000      222.7238      21.4   
1 1 1 33 4  8  o -0.7523000     1.198000      125.3129      -131.9 
1 1 1 33 4  9  o -0.3841000     1.405000      122.8016      -112.9 
1 1 1 33 4  10 o 0.6547000      1.557000      83.91637      -30.8  
1 1 1 33 4  11 o -2.054000      1.689000      110.5207      47.8   
1 1 1 33 4  12 o 1.768000       1.478000      180.5773      68.9   
1 1 1 33 4  13 o 5.629000       1.910000      325.0768      101.5  
1 1 1 33 4  14 o 1.547000       2.068000      299.0107      140.1  
1 1 1 33 4  15 o 0.4863000      1.925000      173.4012      -95.8  
1 1 1 33 4  16 o -1.372000      1.698000      75.87646      -48.3  
1 1 1 33 4  17 o 2.074000       1.505000      133.2098      -121.5 
1 1 1 33 4  18 o -0.7949000     1.356000      56.23675      -82.6  
1 1 1 33 4  19 o 2.578000       1.446000      164.6816      -45.0  
1 1 1 33 4  20 o 0.8086000      1.209000      203.6837      -50.8  
1 1 1 33 4  21 o 4.736000       1.233000      365.2000      136.5  
1 1 1 33 4  22 o 3.630000       1.197000      302.6329      68.1   
1 1 1 33 4  23 o 1.834000       1.090000      182.1093      -178.3 
1 1 1 33 4  24 o 0.7727000      1.073000      156.1865      52.7   
1 1 1 33 4  25 o -0.5253000     1.077000      146.0500      164.9  
1 1 1 33 4  26 o 1.459000       1.079000      138.5826      -128.1 
1 1 1 33 4  27 o 2.035000       1.154000      250.1597      -46.0  
1 1 1 33 4  28 o -0.6158000     1.206000      44.07283      129.7  
1 1 1 33 4  29 o 0.7994000      1.227000      89.30531      -52.9  
1 1 1 33 4  30 o 1.931000       1.232000      168.4093      44.8   
1 1 1 33 4  31 o 0.2807000      1.185000      168.3036      70.5   
1 1 1 33 4  32 o 0.3796000      1.200000      65.65241      144.7  
1 1 1 33 4  33 o -0.3050000     1.205000      252.5205      -35.7  
1 1 1 33 4  34 o 0.2300000      1.257000      104.1377      160.4  
1 1 1 33 4  35 o 0.6637000      1.250000      116.7443      40.8   
1 1 1 33 4  36 o 1.140000       1.271000      97.38607      171.2  
1 1 1 33 4  37 o 0.8598000      1.292000      151.9121      -0.1   
1 1 1 33 4  38 o 0.5518000      1.301000      352.3667      -165.7 
1 1 1 33 4  39 o 1.009000       1.382000      145.3312      -12.3  
1 1 1 33 4  40 o 0.8603000      1.361000      40.24567      65.0   
1 1 1 33 4  41 o -0.7435000     1.581000      130.5236      -157.7 
1 1 1 33 4  42 o 1.777000       2.186000      ?             ?      
1 1 1 33 4  43 o -0.5526000E-01 1.465000      ?             ?      
1 1 1 33 4  44 o 0.9698000      1.491000      ?             ?      
1 1 1 33 4  45 o 1.696000       1.528000      ?             ?      
1 1 1 33 4  46 o -0.4229000     1.399000      ?             ?      
1 1 1 33 4  47 o 1.711000       1.365000      ?             ?      
1 1 1 33 4  48 o 0.6179000      1.282000      ?             ?      
1 1 1 33 4  49 o 0.1606000E-01  1.304000      ?             ?      
1 1 1 33 4  50 o -0.9159000     1.195000      ?             ?      
1 1 1 33 4  51 o 0.9318000      1.137000      ?             ?      
1 1 1 33 4  52 o -1.000000      1.127000      ?             ?      
1 1 1 33 4  53 o -1.035000      1.130000      ?             ?      
1 1 1 33 4  54 o 1.548000       1.147000      ?             ?      
1 1 1 33 4  55 o -0.4663000E-01 1.154000      ?             ?      
1 1 1 33 4  56 o 0.2058000      1.168000      ?             ?      
1 1 1 33 4  57 o -0.6643000     1.184000      ?             ?      
1 1 1 33 4  58 o -2.546000      1.259000      ?             ?      
1 1 1 33 4  59 o -0.6555000     1.435000      ?             ?      
1 1 1 33 4  60 o 0.7547000      1.772000      ?             ?      
1 1 1 33 4  61 o 0.5826000      1.598000      ?             ?      
1 1 1 33 4  62 o 2.309000       1.565000      ?             ?      
1 1 1 33 5  0  o 6.810000       1.660000      598.3204      90.0   
1 1 1 33 5  1  o 5.307000       1.140000      411.9286      -4.5   
1 1 1 33 5  2  o -0.2076000E-01 1.089000      195.0271      -161.6 
1 1 1 33 5  3  o 0.1492000      1.077000      100.6745      146.7  
1 1 1 33 5  4  o 0.8941000      1.103000      148.4753      106.0  
1 1 1 33 5  5  o 0.1093000      1.093000      129.5697      44.6   
1 1 1 33 5  6  o 0.7252000E-01  1.108000      152.4107      -154.0 
1 1 1 33 5  7  o -1.648000      1.118000      114.0619      -9.7   
1 1 1 33 5  8  o 2.113000       1.410000      391.6620      -32.0  
1 1 1 33 5  9  o 1.672000       1.444000      129.6913      -49.2  
1 1 1 33 5  10 o 5.858000       1.517000      202.4066      89.4   
1 1 1 33 5  11 o -1.059000      1.901000      173.6377      168.2  
1 1 1 33 5  12 o 5.728000       1.616000      459.0114      -94.2  
1 1 1 33 5  13 o 0.6788000      1.902000      89.36676      -70.6  
1 1 1 33 5  14 o 0.8875000      1.632000      232.6571      -158.4 
1 1 1 33 5  15 o 0.1200000      1.630000      78.12122      -142.7 
1 1 1 33 5  16 o -3.708000      1.619000      183.3670      24.6   
1 1 1 33 5  17 o 2.115000       1.493000      264.7299      174.4  
1 1 1 33 5  18 o 1.345000       1.228000      134.0353      -105.8 
1 1 1 33 5  19 o -1.125000      1.342000      170.8296      -135.2 
1 1 1 33 5  20 o 0.3391000      1.272000      113.0661      -159.5 
1 1 1 33 5  21 o 2.093000       1.219000      260.6319      172.7  
1 1 1 33 5  22 o -0.3473000     1.204000      184.6463      154.9  
1 1 1 33 5  23 o 1.154000       1.158000      140.6870      167.3  
1 1 1 33 5  24 o 2.628000       1.139000      206.7775      -118.0 
1 1 1 33 5  25 o 2.929000       1.136000      186.1031      -3.0   
1 1 1 33 5  26 o 0.3176000      1.120000      106.5383      13.7   
1 1 1 33 5  27 o 1.110000       1.247000      129.5257      28.7   
1 1 1 33 5  28 o -0.1212000     1.178000      127.9184      127.5  
1 1 1 33 5  29 o 4.005000       1.179000      316.7017      143.6  
1 1 1 33 5  30 f 2.166000       1.149000      231.0803      -64.0  
1 1 1 33 5  31 o 1.117000       1.169000      50.44886      61.1   
1 1 1 33 5  32 o 1.684000       1.189000      196.5715      30.4   
1 1 1 33 5  33 o 0.7691000      1.212000      100.9065      -33.0  
1 1 1 33 5  34 o 2.584000       1.203000      50.13795      161.8  
1 1 1 33 5  35 o 0.7962000      1.229000      153.9277      -150.4 
1 1 1 33 5  36 o 3.487000       1.286000      200.7031      -49.0  
1 1 1 33 5  37 o -0.7550000     1.347000      92.63886      -25.5  
1 1 1 33 5  38 o 0.2764000      1.293000      128.0919      114.6  
1 1 1 33 5  39 o 6.369000       1.493000      255.5871      -39.6  
1 1 1 33 5  40 o 1.473000       1.573000      148.5249      -97.9  
1 1 1 33 5  41 o -1.920000      1.373000      27.85961      176.7  
1 1 1 33 5  42 o 0.9611000      1.537000      ?             ?      
1 1 1 33 5  43 o -1.067000      1.470000      ?             ?      
1 1 1 33 5  44 o -1.067000      1.442000      ?             ?      
1 1 1 33 5  45 o -1.354000      1.361000      ?             ?      
1 1 1 33 5  46 o 0.6674000      1.264000      ?             ?      
1 1 1 33 5  47 o 0.1625000      1.359000      ?             ?      
1 1 1 33 5  48 o -0.7453000E-01 1.227000      ?             ?      
1 1 1 33 5  49 o 2.334000       1.259000      ?             ?      
1 1 1 33 5  50 o 0.8734000      1.157000      ?             ?      
1 1 1 33 5  51 o 0.1742000      1.202000      ?             ?      
1 1 1 33 5  52 o 2.167000       1.206000      ?             ?      
1 1 1 33 5  53 o 1.270000       1.143000      ?             ?      
1 1 1 33 5  54 o -1.417000      1.137000      ?             ?      
1 1 1 33 5  55 o 1.063000       1.154000      ?             ?      
1 1 1 33 5  56 o 0.1858000E-01  1.153000      ?             ?      
1 1 1 33 5  57 o 0.1786000E-01  1.184000      ?             ?      
1 1 1 33 5  58 o 0.5089000      1.204000      ?             ?      
1 1 1 33 5  59 o -0.2106000     1.379000      ?             ?      
1 1 1 33 5  60 o 1.008000       1.420000      ?             ?      
1 1 1 33 5  61 o -1.105000      1.434000      ?             ?      
1 1 1 33 5  62 o 0.8548000      2.027000      ?             ?      
1 1 1 33 6  0  o 10.47000       1.693000      486.3700      -90.0  
1 1 1 33 6  1  o 0.1892000      1.110000      80.08129      10.4   
1 1 1 33 6  2  o 3.308000       1.127000      309.5435      -53.6  
1 1 1 33 6  3  o 0.3275000      1.108000      115.7353      -131.3 
1 1 1 33 6  4  o 0.6032000      1.109000      125.4853      175.8  
1 1 1 33 6  5  o -0.8178000     1.094000      266.2082      -161.8 
1 1 1 33 6  6  o -0.1135000     1.140000      240.6765      28.1   
1 1 1 33 6  7  o 2.177000       1.364000      200.0036      17.0   
1 1 1 33 6  8  o 1.959000       1.417000      292.5516      -168.8 
1 1 1 33 6  9  o 2.391000       1.453000      62.71238      -124.5 
1 1 1 33 6  10 o 8.412000       1.890000      458.9632      26.6   
1 1 1 33 6  11 o 1.066000       1.973000      259.4670      19.6   
1 1 1 33 6  12 o 0.5601000E-01  1.889000      41.69632      -90.7  
1 1 1 33 6  13 o -3.583000      1.898000      59.68703      14.3   
1 1 1 33 6  14 o 1.767000       1.503000      162.9678      -162.2 
1 1 1 33 6  15 o 2.787000       1.538000      276.8051      -122.5 
1 1 1 33 6  16 o 1.940000       1.630000      44.29679      -79.3  
1 1 1 33 6  17 o -0.6275000     1.237000      176.7867      -128.4 
1 1 1 33 6  18 o -0.3620000     1.299000      231.5805      -32.2  
1 1 1 33 6  19 o -0.2489000E-01 1.240000      31.12129      68.6   
1 1 1 33 6  20 o 4.133000       1.253000      271.3430      -143.4 
1 1 1 33 6  21 o -0.1851000     1.282000      208.2114      -179.5 
1 1 1 33 6  22 o 1.906000       1.202000      162.3939      10.6   
1 1 1 33 6  23 o 7.589000       1.253000      343.3995      -170.5 
1 1 1 33 6  24 o -0.1550000     1.189000      195.9995      54.8   
1 1 1 33 6  25 o 0.8125000      1.130000      100.4150      72.0   
1 1 1 33 6  26 o 1.539000       1.067000      228.3049      44.3   
1 1 1 33 6  27 o -2.347000      1.051000      70.70509      -49.9  
1 1 1 33 6  28 o 0.9034000      1.114000      215.8863      163.8  
1 1 1 33 6  29 o 0.7374000      1.127000      32.39725      95.5   
1 1 1 33 6  30 o 2.360000       1.149000      133.6472      81.2   
1 1 1 33 6  31 o 1.606000       1.174000      142.3095      10.9   
1 1 1 33 6  32 o 1.823000       1.198000      147.1533      -148.3 
1 1 1 33 6  33 o 0.1713000      1.192000      155.3714      -66.6  
1 1 1 33 6  34 o 4.451000       1.270000      235.8756      -20.1  
1 1 1 33 6  35 o 0.5681000      1.356000      279.3210      64.7   
1 1 1 33 6  36 o 1.630000       1.279000      162.5472      -18.1  
1 1 1 33 6  37 o 2.943000       1.478000      229.1996      -118.1 
1 1 1 33 6  38 o 0.8336000      1.284000      131.3091      142.8  
1 1 1 33 6  39 o 0.1247000      1.269000      167.2650      -18.8  
1 1 1 33 6  40 o -0.6674000     1.370000      91.34323      122.7  
1 1 1 33 6  41 o 0.9727000      1.440000      183.8156      -172.0 
1 1 1 33 6  42 o 2.466000       1.398000      ?             ?      
1 1 1 33 6  43 o 0.7014000      1.354000      ?             ?      
1 1 1 33 6  44 o 2.563000       1.680000      ?             ?      
1 1 1 33 6  45 o 1.592000       1.367000      ?             ?      
1 1 1 33 6  46 o -1.900000      1.427000      ?             ?      
1 1 1 33 6  47 o 2.798000       1.265000      ?             ?      
1 1 1 33 6  48 o 0.2141000      1.204000      ?             ?      
1 1 1 33 6  49 o -2.627000      1.551000      ?             ?      
1 1 1 33 6  50 o 0.2146000      1.202000      ?             ?      
1 1 1 33 6  51 o 1.473000       1.224000      ?             ?      
1 1 1 33 6  52 o 3.691000       1.234000      ?             ?      
1 1 1 33 6  53 o -0.9330000     1.140000      ?             ?      
1 1 1 33 6  54 o 0.6736000      1.211000      ?             ?      
1 1 1 33 6  55 o 0.7962000      1.166000      ?             ?      
1 1 1 33 6  56 o 1.065000       1.156000      ?             ?      
1 1 1 33 6  57 o 0.3645000      1.170000      ?             ?      
1 1 1 33 6  58 o 0.7131000      1.332000      ?             ?      
1 1 1 33 6  59 o -0.7133000     1.345000      ?             ?      
1 1 1 33 6  60 o -1.445000      1.397000      ?             ?      
1 1 1 33 6  61 o -1.257000      1.413000      ?             ?      
1 1 1 33 6  62 o -3.684000      4.029000      ?             ?      
1 1 1 33 7  0  o 6.859000       1.621000      306.7614      90.0   
1 1 1 33 7  1  o 20.09000       1.257000      522.0508      -38.0  
1 1 1 33 7  2  o 3.942000       1.148000      145.1110      131.7  
1 1 1 33 7  3  o 23.56000       1.361000      728.6686      23.8   
1 1 1 33 7  4  o 5.014000       1.191000      407.3861      177.3  
1 1 1 33 7  5  o 1.822000       1.128000      285.7646      47.1   
1 1 1 33 7  6  o 5.888000       1.314000      229.0992      -53.2  
1 1 1 33 7  7  o 8.781000       1.446000      496.3543      -78.6  
1 1 1 33 7  8  o 7.697000       1.457000      294.8189      -1.1   
1 1 1 33 7  9  o 1.847000       1.747000      158.0783      -169.4 
1 1 1 33 7  10 o 9.123000       1.762000      412.8018      131.9  
1 1 1 33 7  11 o -0.4638000E-01 1.816000      179.9314      40.8   
1 1 1 33 7  12 o 6.081000       1.984000      386.6086      -141.3 
1 1 1 33 7  13 o 9.728000       2.188000      461.0516      -49.1  
1 1 1 33 7  14 o 10.61000       1.590000      469.8985      -166.3 
1 1 1 33 7  15 o 11.22000       1.604000      482.4259      -18.5  
1 1 1 33 7  16 o -1.342000      1.397000      131.4264      158.3  
1 1 1 33 7  17 o 14.68000       1.369000      509.6277      -167.4 
1 1 1 33 7  18 o 6.302000       1.266000      390.5845      -141.9 
1 1 1 33 7  19 o 11.76000       1.395000      522.1630      -64.8  
1 1 1 33 7  20 o 2.724000       1.320000      233.3026      -107.9 
1 1 1 33 7  21 o 1.311000       1.269000      261.3703      126.5  
1 1 1 33 7  22 o -0.8825000     1.262000      127.9630      -152.5 
1 1 1 33 7  23 o 8.832000       1.337000      370.7970      -170.5 
1 1 1 33 7  24 o 4.790000       1.148000      365.9712      -128.6 
1 1 1 33 7  25 o 5.139000       1.077000      311.6770      60.9   
1 1 1 33 7  26 o 2.854000       1.068000      315.3043      -113.8 
1 1 1 33 7  27 o 0.9171000      1.095000      215.0841      -109.4 
1 1 1 33 7  28 o 2.329000       1.104000      270.7198      126.9  
1 1 1 33 7  29 o 3.416000       1.115000      300.5829      -180.0 
1 1 1 33 7  30 o 3.370000       1.137000      190.2623      -130.0 
1 1 1 33 7  31 o -0.5444000     1.163000      112.2989      45.2   
1 1 1 33 7  32 o 3.111000       1.271000      388.8636      54.1   
1 1 1 33 7  33 o 1.881000       1.216000      246.8725      18.6   
1 1 1 33 7  34 o 1.600000       1.396000      103.7108      144.7  
1 1 1 33 7  35 o 1.272000       1.404000      102.0626      -84.2  
1 1 1 33 7  36 o 7.134000       1.277000      274.9802      -92.5  
1 1 1 33 7  37 o 3.313000       1.276000      237.5314      81.3   
1 1 1 33 7  38 o 2.620000       1.388000      227.3544      -50.8  
1 1 1 33 7  39 o 3.617000       1.268000      227.5122      -123.6 
1 1 1 33 7  40 o 0.8308000      1.357000      242.9775      -102.5 
1 1 1 33 7  41 o 2.877000       1.501000      146.5118      105.5  
1 1 1 33 7  42 o -0.2727000     1.432000      ?             ?      
1 1 1 33 7  43 o 0.8930000      1.264000      ?             ?      
1 1 1 33 7  44 o 0.9810000      1.195000      ?             ?      
1 1 1 33 7  45 o -2.500000      1.358000      ?             ?      
1 1 1 33 7  46 o 2.363000       1.458000      ?             ?      
1 1 1 33 7  47 o 2.436000       1.259000      ?             ?      
1 1 1 33 7  48 o 1.840000       1.222000      ?             ?      
1 1 1 33 7  49 o -0.1524000     1.195000      ?             ?      
1 1 1 33 7  50 o 0.6462000      1.185000      ?             ?      
1 1 1 33 7  51 o 0.2234000      1.155000      ?             ?      
1 1 1 33 7  52 o 0.6369000      1.144000      ?             ?      
1 1 1 33 7  53 o 0.2660000      1.211000      ?             ?      
1 1 1 33 7  54 o 2.176000       1.245000      ?             ?      
1 1 1 33 7  55 o 0.1567000      1.151000      ?             ?      
1 1 1 33 7  56 o 0.8432000      1.223000      ?             ?      
1 1 1 33 7  57 o 0.4197000      1.222000      ?             ?      
1 1 1 33 7  58 o 0.7525000      1.348000      ?             ?      
1 1 1 33 7  59 o -0.4518000     1.471000      ?             ?      
1 1 1 33 7  60 o 1.675000       1.387000      ?             ?      
1 1 1 33 7  61 o 0.6376000      1.328000      ?             ?      
1 1 1 33 8  0  o 0.3018000      1.569000      313.1258      90.0   
1 1 1 33 8  1  o 3.889000       1.127000      372.2757      85.4   
1 1 1 33 8  2  o 2.312000       1.141000      189.2037      -128.1 
1 1 1 33 8  3  o -0.8549000     1.168000      40.86264      32.0   
1 1 1 33 8  4  o 21.85000       1.496000      809.7917      136.2  
1 1 1 33 8  5  o 1.871000       1.436000      118.8982      -89.9  
1 1 1 33 8  6  o 4.445000       1.386000      328.7899      51.2   
1 1 1 33 8  7  o 1.407000       1.393000      94.98465      -30.0  
1 1 1 33 8  8  o 6.326000       1.474000      378.6777      -99.7  
1 1 1 33 8  9  o 2.003000       1.714000      176.5903      131.9  
1 1 1 33 8  10 o 8.868000       1.751000      446.8457      57.4   
1 1 1 33 8  11 o 6.564000       1.908000      393.8986      -149.2 
1 1 1 33 8  12 o 4.956000       2.086000      132.3111      30.2   
1 1 1 33 8  13 o 13.81000       2.128000      461.1822      -91.4  
1 1 1 33 8  14 o 8.950000       1.523000      537.5938      67.2   
1 1 1 33 8  15 o 19.48000       1.667000      533.3915      -108.5 
1 1 1 33 8  16 o 2.245000       1.173000      65.81175      -66.7  
1 1 1 33 8  17 o 4.201000       1.266000      315.9247      -146.4 
1 1 1 33 8  18 o 9.788000       1.451000      242.4711      -31.6  
1 1 1 33 8  19 o 5.530000       1.416000      394.6889      -24.9  
1 1 1 33 8  20 o 1.642000       1.153000      116.8024      108.9  
1 1 1 33 8  21 o 0.6237000      1.210000      137.6552      84.0   
1 1 1 33 8  22 o 1.241000       1.285000      190.2326      -31.2  
1 1 1 33 8  23 o 6.095000       1.193000      271.6518      -164.2 
1 1 1 33 8  24 o 1.115000       1.148000      190.6424      -33.9  
1 1 1 33 8  25 o 2.044000       1.102000      240.1967      -26.7  
1 1 1 33 8  26 o 2.571000       1.059000      162.8993      66.9   
1 1 1 33 8  27 o 5.481000       1.126000      468.7424      -78.6  
1 1 1 33 8  28 o 1.156000       1.100000      146.4169      -115.5 
1 1 1 33 8  29 o 0.7978000      1.154000      142.7344      -87.2  
1 1 1 33 8  30 o 2.403000       1.173000      334.9418      -44.1  
1 1 1 33 8  31 o 5.690000       1.170000      409.7754      172.6  
1 1 1 33 8  32 o 0.6415000      1.644000      263.6509      131.3  
1 1 1 33 8  33 o -0.5913000     1.194000      110.4928      100.6  
1 1 1 33 8  34 o 5.781000       1.205000      357.5801      43.1   
1 1 1 33 8  35 o 0.1568000      1.150000      127.3538      15.3   
1 1 1 33 8  36 o 3.075000       1.178000      276.4372      -80.5  
1 1 1 33 8  37 o 1.803000       1.242000      119.5115      159.9  
1 1 1 33 8  38 o 2.082000       1.259000      158.6800      59.8   
1 1 1 33 8  39 o -1.195000      1.333000      73.28191      -51.7  
1 1 1 33 8  40 o 0.7920000      1.399000      115.7349      -151.6 
1 1 1 33 8  41 o 0.3476000      1.370000      73.84628      -35.2  
1 1 1 33 8  42 o 2.784000       1.330000      ?             ?      
1 1 1 33 8  43 o -0.6154000     1.238000      ?             ?      
1 1 1 33 8  44 o -1.416000      1.156000      ?             ?      
1 1 1 33 8  45 o 3.232000       1.384000      ?             ?      
1 1 1 33 8  46 o 1.660000       1.375000      ?             ?      
1 1 1 33 8  47 o -0.6813000     1.224000      ?             ?      
1 1 1 33 8  48 o 1.271000       1.237000      ?             ?      
1 1 1 33 8  49 o 0.8382000      1.190000      ?             ?      
1 1 1 33 8  50 o 1.254000       1.236000      ?             ?      
1 1 1 33 8  51 o 2.896000       1.208000      ?             ?      
1 1 1 33 8  52 o 1.930000       1.141000      ?             ?      
1 1 1 33 8  53 o -1.044000      1.134000      ?             ?      
1 1 1 33 8  54 o 4.346000       1.180000      ?             ?      
1 1 1 33 8  55 o -1.057000      1.149000      ?             ?      
1 1 1 33 8  56 o 0.4574000      1.224000      ?             ?      
1 1 1 33 8  57 o 0.9546000      1.192000      ?             ?      
1 1 1 33 8  58 o 0.5702000      1.371000      ?             ?      
1 1 1 33 8  59 o 0.8819000E-02  1.350000      ?             ?      
1 1 1 33 8  60 o 1.332000       1.466000      ?             ?      
1 1 1 33 8  61 o 1.771000       1.344000      ?             ?      
1 1 1 33 9  0  o 0.6037000      1.550000      127.2188      -90.0  
1 1 1 33 9  1  o 6.879000       1.130000      260.6039      -79.2  
1 1 1 33 9  2  o -0.8421000     1.120000      273.4831      115.8  
1 1 1 33 9  3  o 12.95000       1.223000      367.5801      -20.4  
1 1 1 33 9  4  o 10.41000       1.542000      286.7865      112.6  
1 1 1 33 9  5  o 8.085000       1.415000      435.9240      -98.1  
1 1 1 33 9  6  o 4.594000       1.411000      264.8872      -15.9  
1 1 1 33 9  7  o 24.98000       2.026000      620.0159      -83.8  
1 1 1 33 9  8  o -0.5786000     1.483000      57.24874      145.9  
1 1 1 33 9  9  o 5.638000       1.666000      311.4585      164.2  
1 1 1 33 9  10 o 5.318000       1.745000      292.6408      -111.3 
1 1 1 33 9  11 o -0.2831000     1.551000      107.0789      123.5  
1 1 1 33 9  12 o 2.992000       1.982000      163.1814      -83.2  
1 1 1 33 9  13 o 5.805000       1.730000      302.9287      -72.4  
1 1 1 33 9  14 o 8.867000       1.747000      347.9019      -65.1  
1 1 1 33 9  15 o 5.085000       1.663000      247.3351      29.1   
1 1 1 33 9  16 o 0.7239000      1.219000      87.78185      -106.6 
1 1 1 33 9  17 o 4.105000       1.384000      218.3510      -94.1  
1 1 1 33 9  18 o 4.304000       1.304000      279.2293      -128.5 
1 1 1 33 9  19 o 12.84000       1.364000      443.6684      -46.6  
1 1 1 33 9  20 o 3.760000       1.258000      302.6518      118.5  
1 1 1 33 9  21 o 1.390000       1.138000      81.58211      162.2  
1 1 1 33 9  22 o 18.47000       1.428000      597.7560      -98.2  
1 1 1 33 9  23 o 0.1337000      1.163000      96.79842      -94.8  
1 1 1 33 9  24 o 8.369000       1.185000      316.5220      -81.6  
1 1 1 33 9  25 o 7.413000       1.183000      467.2416      21.2   
1 1 1 33 9  26 o 0.2538000      1.101000      53.14093      -120.1 
1 1 1 33 9  27 o 0.8674000      1.179000      156.4508      -4.2   
1 1 1 33 9  28 o 0.2019000      1.113000      159.9298      42.6   
1 1 1 33 9  29 o 4.516000       1.372000      296.7420      86.1   
1 1 1 33 9  30 o 4.904000       1.367000      173.3765      -153.6 
1 1 1 33 9  31 o 1.181000       1.113000      26.56737      -79.4  
1 1 1 33 9  32 o 1.738000       1.153000      123.6999      7.8    
1 1 1 33 9  33 o 4.005000       1.209000      338.7495      32.6   
1 1 1 33 9  34 o -0.7059000     1.155000      112.2684      -71.4  
1 1 1 33 9  35 o 0.1039000      1.136000      145.0207      -95.7  
1 1 1 33 9  36 o 0.8805000      1.147000      132.6525      34.7   
1 1 1 33 9  37 o 2.827000       1.166000      145.8662      40.0   
1 1 1 33 9  38 o 8.713000       1.528000      362.2002      -104.1 
1 1 1 33 9  39 o 0.9613000      1.324000      228.8489      168.8  
1 1 1 33 9  40 o -0.6400000     1.456000      171.7249      -117.4 
1 1 1 33 9  41 o 0.2113000      1.414000      ?             ?      
1 1 1 33 9  42 o 2.687000       1.249000      ?             ?      
1 1 1 33 9  43 o 0.9578000      1.166000      ?             ?      
1 1 1 33 9  44 o -1.288000      1.158000      ?             ?      
1 1 1 33 9  45 o 0.1856000      1.357000      ?             ?      
1 1 1 33 9  46 o 0.1879000      1.345000      ?             ?      
1 1 1 33 9  47 o -0.7573000     1.223000      ?             ?      
1 1 1 33 9  48 o 1.732000       1.209000      ?             ?      
1 1 1 33 9  49 o -2.417000      1.400000      ?             ?      
1 1 1 33 9  50 o 2.140000       1.210000      ?             ?      
1 1 1 33 9  51 o 2.966000       1.212000      ?             ?      
1 1 1 33 9  52 o 1.080000       1.152000      ?             ?      
1 1 1 33 9  53 o 1.349000       1.143000      ?             ?      
1 1 1 33 9  54 o -1.084000      1.144000      ?             ?      
1 1 1 33 9  55 o 1.657000       1.145000      ?             ?      
1 1 1 33 9  56 o 1.078000       1.159000      ?             ?      
1 1 1 33 9  57 o -0.2658000     1.291000      ?             ?      
1 1 1 33 9  58 o -0.8050000     1.834000      ?             ?      
1 1 1 33 9  59 o 0.8115000      1.450000      ?             ?      
1 1 1 33 9  60 o -1.591000      1.385000      ?             ?      
1 1 1 33 9  61 o -2.147000      1.797000      ?             ?      
1 1 1 33 10 0  o 2.943000       1.583000      215.6768      -90.0  
1 1 1 33 10 1  o 4.032000       1.131000      381.9464      148.5  
1 1 1 33 10 2  o 2.380000       1.143000      246.8549      138.3  
1 1 1 33 10 3  o 1.366000       1.234000      196.5652      111.5  
1 1 1 33 10 4  o 0.7280000      1.425000      164.4181      -92.5  
1 1 1 33 10 5  o 8.024000       1.424000      346.8366      -75.0  
1 1 1 33 10 6  o 6.125000       1.446000      195.5761      -47.5  
1 1 1 33 10 7  o 0.8740000      1.662000      40.03920      -3.7   
1 1 1 33 10 8  o 12.54000       1.825000      479.9195      -6.7   
1 1 1 33 10 9  o 5.002000       1.711000      296.9264      104.2  
1 1 1 33 10 10 o 14.29000       2.151000      363.2228      -144.4 
1 1 1 33 10 11 o 4.563000       2.037000      282.0743      -125.7 
1 1 1 33 10 12 o 5.558000       1.768000      326.1221      30.9   
1 1 1 33 10 13 o 12.55000       1.844000      520.6433      91.1   
1 1 1 33 10 14 o 0.7205000E-01  1.697000      248.3031      104.7  
1 1 1 33 10 15 o 10.57000       1.757000      466.3492      -53.1  
1 1 1 33 10 16 o 2.542000       1.150000      60.28225      -68.2  
1 1 1 33 10 17 o 5.950000       1.167000      314.1149      103.0  
1 1 1 33 10 18 o 11.37000       1.248000      465.2088      24.6   
1 1 1 33 10 19 f 11.23000       1.362000      325.7832      -48.7  
1 1 1 33 10 20 o 10.39000       1.331000      444.8368      64.4   
1 1 1 33 10 21 o 1.094000       1.128000      262.9055      -96.0  
1 1 1 33 10 22 o 1.420000       1.211000      197.3682      -87.8  
1 1 1 33 10 23 o 6.410000       1.276000      354.4874      42.0   
1 1 1 33 10 24 o 0.7216000      1.224000      87.38358      58.2   
1 1 1 33 10 25 o 0.3470000      1.235000      139.5004      -71.5  
1 1 1 33 10 26 o 11.83000       1.282000      480.9347      56.3   
1 1 1 33 10 27 o 0.1674000      1.341000      224.3113      -114.6 
1 1 1 33 10 28 o 1.440000       1.115000      133.0473      173.4  
1 1 1 33 10 29 o 7.101000       1.123000      368.8690      -77.7  
1 1 1 33 10 30 o 2.886000       1.087000      169.0274      -164.9 
1 1 1 33 10 31 o 2.768000       1.119000      300.4606      151.2  
1 1 1 33 10 32 o 12.43000       1.224000      471.3254      46.6   
1 1 1 33 10 33 o 5.052000       1.198000      271.1506      55.5   
1 1 1 33 10 34 o 0.8741000      1.137000      283.2412      86.9   
1 1 1 33 10 35 o 3.851000       1.143000      287.3097      -170.0 
1 1 1 33 10 36 o -0.8742000E-01 1.137000      183.4485      171.0  
1 1 1 33 10 37 o -1.040000      1.158000      29.87997      150.7  
1 1 1 33 10 38 o 5.474000       1.218000      319.2362      -23.4  
1 1 1 33 10 39 o 2.564000       1.382000      161.0362      -86.6  
1 1 1 33 10 40 o 2.490000       1.475000      274.5898      93.7   
1 1 1 33 10 41 o 2.057000       1.318000      ?             ?      
1 1 1 33 10 42 o -0.4995000E-01 1.241000      ?             ?      
1 1 1 33 10 43 o 1.115000       1.161000      ?             ?      
1 1 1 33 10 44 o 0.9341000      1.162000      ?             ?      
1 1 1 33 10 45 o 3.352000       1.177000      ?             ?      
1 1 1 33 10 46 o 0.3312000      1.324000      ?             ?      
1 1 1 33 10 47 o 1.195000       1.402000      ?             ?      
1 1 1 33 10 48 o -1.256000      1.199000      ?             ?      
1 1 1 33 10 49 o 0.1982000      1.184000      ?             ?      
1 1 1 33 10 50 o 0.6654000      1.191000      ?             ?      
1 1 1 33 10 51 o 2.346000       1.285000      ?             ?      
1 1 1 33 10 52 o 1.941000       1.215000      ?             ?      
1 1 1 33 10 53 o 0.3578000      1.132000      ?             ?      
1 1 1 33 10 54 o 0.2674000      1.127000      ?             ?      
1 1 1 33 10 55 o 0.7570000      1.149000      ?             ?      
1 1 1 33 10 56 o 0.3536000      1.158000      ?             ?      
1 1 1 33 10 57 o 1.610000       1.308000      ?             ?      
1 1 1 33 10 58 o 2.199000       1.361000      ?             ?      
1 1 1 33 10 59 o -0.1751000     2.092000      ?             ?      
1 1 1 33 10 60 o -1.565000      1.329000      ?             ?      
1 1 1 33 10 61 o -2.360000      1.349000      ?             ?      
1 1 1 33 11 0  o 16.95000       1.764000      609.5997      -90.0  
1 1 1 33 11 1  o 10.61000       1.293000      447.9732      -62.0  
1 1 1 33 11 2  o 9.313000       1.268000      422.8841      -115.9 
1 1 1 33 11 3  o 6.349000       1.259000      274.5686      -56.4  
1 1 1 33 11 4  o -1.063000      1.355000      124.1081      47.4   
1 1 1 33 11 5  o 3.719000       1.414000      170.9792      -32.0  
1 1 1 33 11 6  o 5.937000       1.686000      313.6205      14.6   
1 1 1 33 11 7  o -0.1634000     2.017000      160.4564      -82.3  
1 1 1 33 11 8  o 2.064000       1.844000      257.6147      152.1  
1 1 1 33 11 9  o 1.653000       1.653000      221.0010      19.8   
1 1 1 33 11 10 o 5.116000       1.539000      366.6324      -71.2  
1 1 1 33 11 11 o 3.620000       1.886000      451.2258      167.8  
1 1 1 33 11 12 o 8.388000       1.864000      416.3703      -129.7 
1 1 1 33 11 13 f 6.327000       1.740000      377.5717      -67.6  
1 1 1 33 11 14 o 3.682000       1.565000      230.7360      133.3  
1 1 1 33 11 15 o 3.868000       1.377000      211.8734      29.9   
1 1 1 33 11 16 o 0.8592000      1.149000      94.22764      137.3  
1 1 1 33 11 17 o 1.321000       1.153000      221.7292      -139.1 
1 1 1 33 11 18 o -0.1951000     1.152000      84.60302      177.1  
1 1 1 33 11 19 o -1.271000      1.148000      93.25370      -12.7  
1 1 1 33 11 20 o 0.3577000      1.253000      247.7068      -51.1  
1 1 1 33 11 21 o 0.2945000      1.118000      90.54529      103.3  
1 1 1 33 11 22 o 1.940000       1.227000      263.9444      -22.4  
1 1 1 33 11 23 o 2.154000       1.230000      173.4395      -36.5  
1 1 1 33 11 24 o -0.2571000     1.492000      78.43622      -13.6  
1 1 1 33 11 25 o 12.84000       1.719000      325.0947      118.0  
1 1 1 33 11 26 o 1.452000       1.204000      136.5938      155.1  
1 1 1 33 11 27 o 1.125000       1.161000      187.8839      46.1   
1 1 1 33 11 28 o 2.979000       1.106000      270.4445      -10.0  
1 1 1 33 11 29 o -2.399000      1.132000      77.24281      54.6   
1 1 1 33 11 30 o 2.731000       1.109000      171.7839      -70.3  
1 1 1 33 11 31 o 2.799000       1.130000      243.7799      126.4  
1 1 1 33 11 32 o 7.771000       1.206000      407.4371      10.2   
1 1 1 33 11 33 o -0.3917000     1.153000      40.63307      79.9   
1 1 1 33 11 34 o 5.182000       1.152000      382.9091      -87.6  
1 1 1 33 11 35 o 1.903000       1.150000      305.5476      -111.4 
1 1 1 33 11 36 o 2.826000       1.179000      300.3080      20.3   
1 1 1 33 11 37 o 1.295000       1.168000      211.0531      15.1   
1 1 1 33 11 38 o 0.6127000      1.262000      129.7357      -89.1  
1 1 1 33 11 39 o 11.09000       1.502000      430.5420      123.3  
1 1 1 33 11 40 o 5.103000       1.446000      201.3276      -131.4 
1 1 1 33 11 41 o -1.315000      1.297000      ?             ?      
1 1 1 33 11 42 o 0.1338000      1.144000      ?             ?      
1 1 1 33 11 43 o -0.6059000E-02 1.150000      ?             ?      
1 1 1 33 11 44 o 0.9831000      1.152000      ?             ?      
1 1 1 33 11 45 o -0.8372000     1.136000      ?             ?      
1 1 1 33 11 46 o -0.6649000E-01 1.320000      ?             ?      
1 1 1 33 11 47 o 2.993000       1.349000      ?             ?      
1 1 1 33 11 48 o 0.2121000      1.205000      ?             ?      
1 1 1 33 11 49 o -1.833000      1.212000      ?             ?      
1 1 1 33 11 50 o 3.094000       1.207000      ?             ?      
1 1 1 33 11 51 o -0.6421000     1.205000      ?             ?      
1 1 1 33 11 52 o 0.7615000      1.214000      ?             ?      
1 1 1 33 11 53 o 1.368000       1.156000      ?             ?      
1 1 1 33 11 54 o 2.157000       1.142000      ?             ?      
1 1 1 33 11 55 f 2.923000       1.150000      ?             ?      
1 1 1 33 11 56 o 1.722000       1.291000      ?             ?      
1 1 1 33 11 57 o 0.7100000      1.354000      ?             ?      
1 1 1 33 11 58 o 0.9092000      1.349000      ?             ?      
1 1 1 33 11 59 o 0.2997000      1.679000      ?             ?      
1 1 1 33 11 60 o -0.2875000     1.234000      ?             ?      
1 1 1 33 11 61 o 0.2798000      2.429000      ?             ?      
1 1 1 33 12 0  o 5.782000       1.892000      206.7926      -90.0  
1 1 1 33 12 1  o 8.017000       1.275000      331.1857      51.1   
1 1 1 33 12 2  o 2.388000       1.206000      281.6712      102.8  
1 1 1 33 12 3  o 7.782000       1.281000      463.7965      -62.8  
1 1 1 33 12 4  o 0.7186000      1.558000      248.6150      -139.2 
1 1 1 33 12 5  o 0.3479000      1.853000      101.0991      114.7  
1 1 1 33 12 6  o 2.475000       1.683000      340.5887      56.6   
1 1 1 33 12 7  o -0.9463000E-02 1.599000      207.6114      148.2  
1 1 1 33 12 8  o 3.532000       1.681000      324.1189      131.6  
1 1 1 33 12 9  o 4.030000       1.632000      115.4101      -44.0  
1 1 1 33 12 10 o 6.962000       1.813000      332.0102      -108.9 
1 1 1 33 12 11 o 5.653000       1.561000      307.4497      3.8    
1 1 1 33 12 12 o 3.304000       1.399000      54.34295      -3.2   
1 1 1 33 12 13 o 6.909000       1.565000      288.7878      121.1  
1 1 1 33 12 14 o 2.980000       1.550000      191.1746      -90.8  
1 1 1 33 12 15 o 15.11000       1.468000      542.7646      -84.9  
1 1 1 33 12 16 o 2.703000       1.262000      136.1209      24.4   
1 1 1 33 12 17 o 23.11000       1.357000      565.4116      110.9  
1 1 1 33 12 18 o 12.32000       1.232000      415.5851      -9.5   
1 1 1 33 12 19 o 4.462000       1.161000      334.3036      -45.5  
1 1 1 33 12 20 o 0.1338000      1.242000      46.65482      57.4   
1 1 1 33 12 21 o 1.062000       1.139000      137.0529      -142.8 
1 1 1 33 12 22 o 1.870000       1.268000      92.12352      67.7   
1 1 1 33 12 23 o 3.807000       1.166000      306.3300      43.0   
1 1 1 33 12 24 o 0.3611000E-01  1.255000      145.8250      -15.7  
1 1 1 33 12 25 o -0.5173000     1.170000      72.57224      -153.5 
1 1 1 33 12 26 o 0.9089000      1.199000      106.2933      -178.5 
1 1 1 33 12 27 o 5.667000       1.254000      141.8360      24.5   
1 1 1 33 12 28 o 6.303000       1.171000      349.4799      100.2  
1 1 1 33 12 29 o 3.792000       1.129000      58.89345      -169.7 
1 1 1 33 12 30 o 5.060000       1.148000      243.6966      -158.3 
1 1 1 33 12 31 o 8.866000       1.197000      338.8766      92.2   
1 1 1 33 12 32 o 4.375000       1.177000      259.1446      13.7   
1 1 1 33 12 33 o 7.212000       1.191000      424.5423      107.6  
1 1 1 33 12 34 o 1.742000       1.192000      86.97461      97.6   
1 1 1 33 12 35 o 0.6050000      1.130000      96.61618      115.0  
1 1 1 33 12 36 o 0.6574000      1.148000      46.71939      -3.5   
1 1 1 33 12 37 o 0.1650000      1.158000      69.71738      -127.5 
1 1 1 33 12 38 o -1.037000      1.277000      81.40118      165.8  
1 1 1 33 12 39 o 0.3030000      1.376000      77.72618      -64.7  
1 1 1 33 12 40 o 0.8849000      1.308000      ?             ?      
1 1 1 33 12 41 o 1.101000       1.215000      ?             ?      
1 1 1 33 12 42 o -0.7332000E-01 1.133000      ?             ?      
1 1 1 33 12 43 o 2.583000       1.161000      ?             ?      
1 1 1 33 12 44 o 2.712000       1.148000      ?             ?      
1 1 1 33 12 45 o 0.7921000      1.137000      ?             ?      
1 1 1 33 12 46 o 0.6831000E-01  1.314000      ?             ?      
1 1 1 33 12 47 o -1.582000      1.308000      ?             ?      
1 1 1 33 12 48 o 3.262000       1.235000      ?             ?      
1 1 1 33 12 49 o 0.5356000      1.205000      ?             ?      
1 1 1 33 12 50 o 1.914000       1.197000      ?             ?      
1 1 1 33 12 51 o 1.608000       1.200000      ?             ?      
1 1 1 33 12 52 o 2.088000       1.298000      ?             ?      
1 1 1 33 12 53 o -0.2269000     1.215000      ?             ?      
1 1 1 33 12 54 o 1.268000       1.141000      ?             ?      
1 1 1 33 12 55 o -1.664000      1.136000      ?             ?      
1 1 1 33 12 56 o -1.438000      1.266000      ?             ?      
1 1 1 33 12 57 o -0.5461000E-01 1.417000      ?             ?      
1 1 1 33 12 58 o 1.196000       1.403000      ?             ?      
1 1 1 33 12 59 o -0.1656000     1.335000      ?             ?      
1 1 1 33 12 60 o -0.1052000     1.231000      ?             ?      
1 1 1 33 13 0  o 8.099000       1.923000      436.5495      -90.0  
1 1 1 33 13 1  o 2.253000       1.308000      142.7092      -73.4  
1 1 1 33 13 2  o 0.1877000      1.314000      31.09912      -20.3  
1 1 1 33 13 3  o 3.602000       1.812000      260.1752      -78.0  
1 1 1 33 13 4  o 4.984000       1.588000      386.7366      -11.6  
1 1 1 33 13 5  o 1.934000       1.557000      184.2602      -127.4 
1 1 1 33 13 6  o 1.022000       1.594000      204.8051      -68.5  
1 1 1 33 13 7  o 0.5672000E-01  1.766000      97.81333      27.3   
1 1 1 33 13 8  o -1.403000      1.370000      42.64895      83.1   
1 1 1 33 13 9  o 1.481000       1.426000      262.9499      -39.3  
1 1 1 33 13 10 o 0.5034000      1.725000      272.0890      92.8   
1 1 1 33 13 11 o 7.331000       1.518000      475.3096      -164.0 
1 1 1 33 13 12 o 2.077000       1.324000      153.2227      -65.8  
1 1 1 33 13 13 o 5.180000       1.366000      426.9131      -10.2  
1 1 1 33 13 14 o -0.8916000     1.514000      133.5955      133.0  
1 1 1 33 13 15 o 2.412000       1.324000      272.8924      -7.9   
1 1 1 33 13 16 o 1.747000       1.246000      151.6480      -175.9 
1 1 1 33 13 17 o 0.2267000      1.222000      88.82399      156.4  
1 1 1 33 13 18 o -0.4359000     1.134000      180.6237      -16.1  
1 1 1 33 13 19 o 5.851000       1.248000      233.8009      -35.1  
1 1 1 33 13 20 o 1.370000       1.236000      127.0836      55.4   
1 1 1 33 13 21 o 4.906000       1.163000      334.6787      76.6   
1 1 1 33 13 22 f -0.1782000E-01 1.133000      232.1106      25.9   
1 1 1 33 13 23 o 0.5825000      1.141000      292.6529      48.7   
1 1 1 33 13 24 o 0.5032000      1.255000      118.8999      134.6  
1 1 1 33 13 25 o 3.479000       1.342000      242.3180      157.2  
1 1 1 33 13 26 o 3.458000       1.257000      312.9136      105.1  
1 1 1 33 13 27 o 1.573000       1.247000      124.6037      140.1  
1 1 1 33 13 28 o 1.679000       1.224000      234.7057      -149.6 
1 1 1 33 13 29 o 7.050000       1.152000      366.6877      -71.7  
1 1 1 33 13 30 o 1.792000       1.128000      78.92148      -115.6 
1 1 1 33 13 31 o 0.7092000      1.163000      204.2878      11.1   
1 1 1 33 13 32 o 3.913000       1.188000      347.9503      -125.8 
1 1 1 33 13 33 o 2.677000       1.160000      54.66050      49.7   
1 1 1 33 13 34 o 2.883000       1.144000      240.8956      -146.4 
1 1 1 33 13 35 o 2.731000       1.142000      174.1703      9.5    
1 1 1 33 13 36 o 2.704000       1.144000      216.5940      33.4   
1 1 1 33 13 37 o 1.933000       1.247000      141.7234      -164.8 
1 1 1 33 13 38 o 0.2571000      1.276000      259.6580      -90.8  
1 1 1 33 13 39 o 3.531000       1.345000      391.0065      157.2  
1 1 1 33 13 40 o 0.8883000      1.213000      ?             ?      
1 1 1 33 13 41 o 0.2543000      1.124000      ?             ?      
1 1 1 33 13 42 o 2.324000       1.138000      ?             ?      
1 1 1 33 13 43 o 2.015000       1.164000      ?             ?      
1 1 1 33 13 44 o 1.771000       1.152000      ?             ?      
1 1 1 33 13 45 o 3.343000       1.153000      ?             ?      
1 1 1 33 13 46 o 1.700000       1.147000      ?             ?      
1 1 1 33 13 47 o 1.131000       1.304000      ?             ?      
1 1 1 33 13 48 o -0.9067000     1.370000      ?             ?      
1 1 1 33 13 49 o 2.278000       1.213000      ?             ?      
1 1 1 33 13 50 o 2.055000       1.119000      ?             ?      
1 1 1 33 13 51 o 1.002000       1.190000      ?             ?      
1 1 1 33 13 52 o 1.142000       1.243000      ?             ?      
1 1 1 33 13 53 o 0.4854000      1.201000      ?             ?      
1 1 1 33 13 54 o 1.742000       1.151000      ?             ?      
1 1 1 33 13 55 o -1.453000      1.142000      ?             ?      
1 1 1 33 13 56 o 0.2928000      1.755000      ?             ?      
1 1 1 33 13 57 o -0.5124000     1.307000      ?             ?      
1 1 1 33 13 58 o 0.2413000      1.358000      ?             ?      
1 1 1 33 13 59 o -0.1946000     1.242000      ?             ?      
1 1 1 33 13 60 o 0.6905000      1.232000      ?             ?      
1 1 1 33 14 0  o -0.9740000E-02 2.029000      39.67677      90.0   
1 1 1 33 14 1  o 7.647000       1.405000      357.6385      17.6   
1 1 1 33 14 2  o -1.071000      1.329000      122.3974      62.1   
1 1 1 33 14 3  o 5.206000       1.607000      315.4552      55.4   
1 1 1 33 14 4  o 0.7693000      1.731000      194.5794      114.6  
1 1 1 33 14 5  o 0.3815000E-02  1.843000      146.6281      18.2   
1 1 1 33 14 6  o 1.747000       1.589000      54.27049      171.9  
1 1 1 33 14 7  o 3.231000       1.313000      350.3028      161.1  
1 1 1 33 14 8  o 16.65000       1.570000      637.6974      103.6  
1 1 1 33 14 9  o 0.6329000      1.386000      121.6534      0.0    
1 1 1 33 14 10 o 4.108000       1.432000      280.1965      -88.6  
1 1 1 33 14 11 o 1.202000       1.309000      69.75947      -126.3 
1 1 1 33 14 12 o 2.450000       1.311000      176.1319      90.1   
1 1 1 33 14 13 o -0.5877000     1.266000      105.0444      108.8  
1 1 1 33 14 14 o 2.291000       1.316000      266.6817      -8.1   
1 1 1 33 14 15 o 6.538000       1.347000      469.0146      -97.1  
1 1 1 33 14 16 o 1.736000       1.319000      106.3175      128.0  
1 1 1 33 14 17 o 2.022000       1.326000      176.9271      139.4  
1 1 1 33 14 18 o 3.166000       1.250000      210.2474      -43.6  
1 1 1 33 14 19 o -0.7594000     1.104000      35.05607      -110.3 
1 1 1 33 14 20 o 1.789000       1.112000      245.2435      161.6  
1 1 1 33 14 21 o 0.1875000      1.071000      136.9362      177.7  
1 1 1 33 14 22 o 2.566000       1.153000      144.4154      44.8   
1 1 1 33 14 23 o 2.719000       1.158000      278.6841      25.6   
1 1 1 33 14 24 o -0.2099000     1.187000      153.0339      119.5  
1 1 1 33 14 25 o 4.403000       1.363000      366.7972      -136.9 
1 1 1 33 14 26 o -0.1004000     1.235000      139.9393      26.0   
1 1 1 33 14 27 o 0.4600000      1.310000      37.67855      53.4   
1 1 1 33 14 28 o 0.5569000      1.235000      247.4527      101.5  
1 1 1 33 14 29 o 0.4802000E-02  1.190000      202.3997      -27.4  
1 1 1 33 14 30 o 0.9420000      1.129000      52.23816      33.6   
1 1 1 33 14 31 o 3.249000       1.164000      74.03688      -26.6  
1 1 1 33 14 32 o 6.594000       1.207000      405.3035      100.0  
1 1 1 33 14 33 o 0.6677000      1.161000      133.4171      -136.2 
1 1 1 33 14 34 o -2.101000      1.126000      30.82576      125.8  
1 1 1 33 14 35 o 2.166000       1.119000      185.8945      -57.7  
1 1 1 33 14 36 o -1.094000      1.111000      203.1924      173.2  
1 1 1 33 14 37 o 0.6983000E-01  1.245000      40.18996      133.9  
1 1 1 33 14 38 o 1.256000       1.405000      150.9924      -107.8 
1 1 1 33 14 39 o 1.728000       1.238000      ?             ?      
1 1 1 33 14 40 o 1.268000       1.168000      ?             ?      
1 1 1 33 14 41 o -0.9011000     1.077000      ?             ?      
1 1 1 33 14 42 o 2.577000       1.148000      ?             ?      
1 1 1 33 14 43 o 0.7052000      1.128000      ?             ?      
1 1 1 33 14 44 o -0.1944000     1.121000      ?             ?      
1 1 1 33 14 45 o -1.083000      1.122000      ?             ?      
1 1 1 33 14 46 o 0.1779000      1.121000      ?             ?      
1 1 1 33 14 47 o -0.4302000     1.294000      ?             ?      
1 1 1 33 14 48 o 2.922000       1.390000      ?             ?      
1 1 1 33 14 49 o -1.433000      1.198000      ?             ?      
1 1 1 33 14 50 o 0.4420000      1.204000      ?             ?      
1 1 1 33 14 51 o 0.7733000      1.194000      ?             ?      
1 1 1 33 14 52 o 0.2654000      1.214000      ?             ?      
1 1 1 33 14 53 o 0.4414000      1.214000      ?             ?      
1 1 1 33 14 54 o -0.5115000     1.194000      ?             ?      
1 1 1 33 14 55 o 0.7263000      1.273000      ?             ?      
1 1 1 33 14 56 o 1.698000       1.339000      ?             ?      
1 1 1 33 14 57 o 0.6605000      1.420000      ?             ?      
1 1 1 33 14 58 o 1.995000       1.311000      ?             ?      
1 1 1 33 14 59 o -1.598000      1.218000      ?             ?      
1 1 1 33 14 60 o -0.9318000     1.224000      ?             ?      
1 1 1 33 15 0  o 2.178000       1.912000      1.243003      90.0   
1 1 1 33 15 1  o 6.960000       1.738000      376.1424      113.0  
1 1 1 33 15 2  o 1.315000       1.832000      49.94583      -126.1 
1 1 1 33 15 3  o -2.061000      1.501000      250.7605      -74.5  
1 1 1 33 15 4  o 2.791000       1.569000      237.9090      111.5  
1 1 1 33 15 5  o 0.9525000      1.492000      195.1740      -127.6 
1 1 1 33 15 6  o -0.6464000E-01 1.339000      100.6883      -115.1 
1 1 1 33 15 7  o -0.7920000     1.333000      125.7184      11.6   
1 1 1 33 15 8  o -0.5593000     1.364000      75.53602      -126.2 
1 1 1 33 15 9  o 1.099000       1.281000      188.3639      -143.2 
1 1 1 33 15 10 o 2.299000       1.359000      178.2890      151.7  
1 1 1 33 15 11 o 5.426000       1.341000      265.7946      -109.4 
1 1 1 33 15 12 o -0.1773000     1.312000      132.2928      35.4   
1 1 1 33 15 13 o 1.087000       1.297000      84.46118      49.9   
1 1 1 33 15 14 o 0.4419000      1.282000      126.6106      -28.5  
1 1 1 33 15 15 o 2.515000       1.340000      264.0900      66.1   
1 1 1 33 15 16 o -1.363000      1.207000      87.34457      -10.6  
1 1 1 33 15 17 o 1.390000       1.208000      104.6986      -66.4  
1 1 1 33 15 18 o 7.137000       1.265000      388.1326      -14.3  
1 1 1 33 15 19 o 3.531000       1.135000      198.2654      0.1    
1 1 1 33 15 20 o 3.110000       1.112000      313.5396      89.4   
1 1 1 33 15 21 o 1.106000       1.058000      137.6225      53.1   
1 1 1 33 15 22 o 2.116000       1.148000      174.9452      94.1   
1 1 1 33 15 23 o 3.493000       1.164000      200.0492      -159.2 
1 1 1 33 15 24 o 0.6125000      1.177000      177.8379      159.1  
1 1 1 33 15 25 o 3.761000       1.214000      256.0794      128.2  
1 1 1 33 15 26 o 0.8571000      1.321000      118.1193      11.2   
1 1 1 33 15 27 o 4.288000       1.386000      279.6468      -162.5 
1 1 1 33 15 28 o -0.1487000     1.230000      149.0601      -34.2  
1 1 1 33 15 29 o 2.186000       1.216000      167.0308      -46.6  
1 1 1 33 15 30 o 1.788000       1.169000      200.4488      170.4  
1 1 1 33 15 31 o 5.119000       1.166000      394.0716      -122.4 
1 1 1 33 15 32 o -0.5393000     1.142000      184.0846      -147.0 
1 1 1 33 15 33 o -0.6004000     1.133000      128.8809      -82.1  
1 1 1 33 15 34 o -1.726000      1.132000      164.2942      14.7   
1 1 1 33 15 35 o 1.430000       1.110000      168.8011      -19.0  
1 1 1 33 15 36 o 0.8836000      1.161000      82.11032      77.4   
1 1 1 33 15 37 o 0.6896000      1.240000      216.4801      -125.6 
1 1 1 33 15 38 o 1.752000       1.372000      165.8182      -7.9   
1 1 1 33 15 39 o 0.2421000      1.205000      ?             ?      
1 1 1 33 15 40 o 0.6230000      1.096000      ?             ?      
1 1 1 33 15 41 o 1.242000       1.079000      ?             ?      
1 1 1 33 15 42 o 0.5634000E-01  1.082000      ?             ?      
1 1 1 33 15 43 o -0.5830000E-01 1.115000      ?             ?      
1 1 1 33 15 44 o 0.5538000      1.114000      ?             ?      
1 1 1 33 15 45 o 2.671000       1.129000      ?             ?      
1 1 1 33 15 46 o 0.5110000      1.103000      ?             ?      
1 1 1 33 15 47 o 2.403000       1.310000      ?             ?      
1 1 1 33 15 48 o -1.637000      1.289000      ?             ?      
1 1 1 33 15 49 o 0.2567000E-01  1.206000      ?             ?      
1 1 1 33 15 50 o 0.8055000      1.194000      ?             ?      
1 1 1 33 15 51 o -0.6058000     1.106000      ?             ?      
1 1 1 33 15 52 o 0.3542000      1.218000      ?             ?      
1 1 1 33 15 53 o 1.672000       1.301000      ?             ?      
1 1 1 33 15 54 o -0.4702000     1.238000      ?             ?      
1 1 1 33 15 55 o 0.5947000      1.343000      ?             ?      
1 1 1 33 15 56 o 1.405000       1.324000      ?             ?      
1 1 1 33 15 57 o 0.3264000      1.355000      ?             ?      
1 1 1 33 15 58 o 0.8963000      1.203000      ?             ?      
1 1 1 33 15 59 o 1.731000       1.212000      ?             ?      
1 1 1 33 16 0  o 2.205000       2.071000      86.22784      90.0   
1 1 1 33 16 1  o -2.469000      2.388000      195.8671      73.4   
1 1 1 33 16 2  o -0.3566000     2.158000      75.56214      -151.4 
1 1 1 33 16 3  o 1.269000       1.463000      190.0085      90.5   
1 1 1 33 16 4  o 2.745000       1.431000      136.4990      42.8   
1 1 1 33 16 5  o 4.602000       1.357000      299.5365      -58.5  
1 1 1 33 16 6  o 2.153000       1.304000      250.9519      106.2  
1 1 1 33 16 7  o 2.013000       1.320000      146.1577      81.3   
1 1 1 33 16 8  o 1.826000       1.270000      260.8246      83.0   
1 1 1 33 16 9  o 4.776000       1.485000      344.5497      -96.2  
1 1 1 33 16 10 o 4.547000       1.367000      269.4480      -72.7  
1 1 1 33 16 11 o -1.498000      1.270000      150.2702      4.3    
1 1 1 33 16 12 o 2.876000       1.312000      211.8236      65.8   
1 1 1 33 16 13 o -1.677000      1.182000      59.56222      155.5  
1 1 1 33 16 14 o 0.6049000E-01  1.304000      227.2550      -119.2 
1 1 1 33 16 15 o -2.225000      1.281000      178.6558      -117.9 
1 1 1 33 16 16 o -1.478000      1.193000      194.8075      137.3  
1 1 1 33 16 17 o 0.6403000      1.202000      269.2653      99.8   
1 1 1 33 16 18 o 0.9898000E-01  1.208000      161.0565      -168.6 
1 1 1 33 16 19 o 1.332000       1.133000      37.42811      4.6    
1 1 1 33 16 20 o 0.9624000      1.103000      218.0511      179.3  
1 1 1 33 16 21 o -0.5858000     1.096000      111.9158      -124.2 
1 1 1 33 16 22 o 0.2588000      1.073000      205.3704      -39.4  
1 1 1 33 16 23 o -0.3165000     1.176000      105.9890      -133.5 
1 1 1 33 16 24 o 1.913000       1.161000      112.5777      -15.6  
1 1 1 33 16 25 o -0.5734000     1.173000      146.3209      102.8  
1 1 1 33 16 26 o -0.6499000     1.255000      28.10334      -87.4  
1 1 1 33 16 27 o 2.856000       1.346000      122.7785      71.0   
1 1 1 33 16 28 o -1.750000      1.246000      5.415056      139.6  
1 1 1 33 16 29 o 3.840000       1.305000      281.4721      -24.8  
1 1 1 33 16 30 o -0.2199000     1.218000      224.9225      -90.0  
1 1 1 33 16 31 o 2.348000       1.147000      180.8000      -46.8  
1 1 1 33 16 32 o 4.169000       1.149000      267.5441      41.5   
1 1 1 33 16 33 o -0.6609000     1.127000      105.2264      -109.3 
1 1 1 33 16 34 o -0.2930000     1.134000      58.10103      -57.6  
1 1 1 33 16 35 o 0.3939000      1.134000      36.04243      148.0  
1 1 1 33 16 36 o 0.3171000      1.225000      95.62293      128.2  
1 1 1 33 16 37 o 0.6164000      1.337000      62.37462      22.7   
1 1 1 33 16 38 o 0.5208000      1.208000      ?             ?      
1 1 1 33 16 39 o -1.353000      1.143000      ?             ?      
1 1 1 33 16 40 o 1.473000       1.085000      ?             ?      
1 1 1 33 16 41 o 0.2761000      1.080000      ?             ?      
1 1 1 33 16 42 o -0.6133000E-01 1.075000      ?             ?      
1 1 1 33 16 43 o 0.7642000      1.066000      ?             ?      
1 1 1 33 16 44 o 0.9486000      1.108000      ?             ?      
1 1 1 33 16 45 o 0.6726000      1.116000      ?             ?      
1 1 1 33 16 46 o 0.5629000      1.086000      ?             ?      
1 1 1 33 16 47 o -0.9887000     1.106000      ?             ?      
1 1 1 33 16 48 o -2.262000      1.284000      ?             ?      
1 1 1 33 16 49 o -1.175000      1.366000      ?             ?      
1 1 1 33 16 50 o 0.8863000      1.192000      ?             ?      
1 1 1 33 16 51 o 0.3551000      1.101000      ?             ?      
1 1 1 33 16 52 o 0.1786000E-01  1.192000      ?             ?      
1 1 1 33 16 53 o -0.1007000     1.217000      ?             ?      
1 1 1 33 16 54 o 0.3532000      1.363000      ?             ?      
1 1 1 33 16 55 o 1.330000       1.452000      ?             ?      
1 1 1 33 16 56 o -0.4190000     1.333000      ?             ?      
1 1 1 33 16 57 o 1.122000       1.296000      ?             ?      
1 1 1 33 16 58 o -0.2671000     1.194000      ?             ?      
1 1 1 33 16 59 o -1.220000      1.214000      ?             ?      
1 1 1 33 17 0  o 4.891000       1.896000      266.6726      90.0   
1 1 1 33 17 1  o 0.3081000      1.345000      118.4328      150.5  
1 1 1 33 17 2  o 1.484000       1.483000      119.5155      -85.5  
1 1 1 33 17 3  o -1.110000      1.496000      99.90564      -53.0  
1 1 1 33 17 4  o 1.434000       1.466000      95.74800      133.6  
1 1 1 33 17 5  o -1.385000      1.436000      106.7241      163.7  
1 1 1 33 17 6  o -3.897000      1.417000      50.41774      -99.2  
1 1 1 33 17 7  o -1.822000      1.313000      125.5797      -69.0  
1 1 1 33 17 8  o 0.8432000E-01  1.223000      8.935057      126.5  
1 1 1 33 17 9  o 0.2540000      1.286000      108.1919      176.6  
1 1 1 33 17 10 o 0.8107000      1.275000      115.3634      52.8   
1 1 1 33 17 11 o -2.033000      1.262000      106.5956      21.1   
1 1 1 33 17 12 o 1.357000       1.305000      172.0689      98.0   
1 1 1 33 17 13 o 0.5563000      1.168000      165.4351      -44.9  
1 1 1 33 17 14 o 1.404000       1.201000      223.4833      -41.5  
1 1 1 33 17 15 o -0.6290000     1.292000      183.8084      23.2   
1 1 1 33 17 16 o -0.2438000     1.167000      156.6389      -66.3  
1 1 1 33 17 17 o 0.4913000      1.175000      151.7761      -103.4 
1 1 1 33 17 18 o 1.309000       1.200000      226.9877      17.1   
1 1 1 33 17 19 o 0.5296000      1.124000      71.63425      26.6   
1 1 1 33 17 20 o 1.148000       1.128000      154.6135      87.6   
1 1 1 33 17 21 o 1.575000       1.108000      196.8976      -50.5  
1 1 1 33 17 22 o -0.4221000     1.049000      68.84997      124.5  
1 1 1 33 17 23 o -1.620000      1.154000      60.03100      103.5  
1 1 1 33 17 24 o 0.1078000      1.141000      121.4171      164.5  
1 1 1 33 17 25 o 0.4686000      1.152000      91.84039      111.1  
1 1 1 33 17 26 o -1.118000      1.189000      157.1196      -113.5 
1 1 1 33 17 27 o 1.544000       1.344000      85.37995      3.2    
1 1 1 33 17 28 o 3.302000       1.290000      211.3837      41.5   
1 1 1 33 17 29 o -0.4881000     1.286000      245.0243      -72.0  
1 1 1 33 17 30 o -0.9768000     1.244000      59.71498      112.2  
1 1 1 33 17 31 o -0.7655000     1.131000      170.3518      -151.9 
1 1 1 33 17 32 o 0.7896000      1.136000      138.1480      44.0   
1 1 1 33 17 33 o -0.3431000     1.123000      73.04789      13.5   
1 1 1 33 17 34 o -0.6690000     1.127000      136.6828      -3.2   
1 1 1 33 17 35 o 1.212000       1.167000      130.7453      -38.9  
1 1 1 33 17 36 o -0.7718000     1.241000      107.8004      95.2   
1 1 1 33 17 37 o 0.4712000      1.338000      89.63310      167.6  
1 1 1 33 17 38 o 0.4940000      1.187000      ?             ?      
1 1 1 33 17 39 o 0.2862000      1.066000      ?             ?      
1 1 1 33 17 40 o -0.4897000E-01 1.060000      ?             ?      
1 1 1 33 17 41 o 1.268000       1.065000      ?             ?      
1 1 1 33 17 42 o -2.027000      1.054000      ?             ?      
1 1 1 33 17 43 o 0.5547000      1.055000      ?             ?      
1 1 1 33 17 44 o -0.1013000     1.046000      ?             ?      
1 1 1 33 17 45 o -2.089000      1.076000      ?             ?      
1 1 1 33 17 46 o -1.501000      1.065000      ?             ?      
1 1 1 33 17 47 o -0.3421000     1.064000      ?             ?      
1 1 1 33 17 48 o -0.7202000     1.279000      ?             ?      
1 1 1 33 17 49 o -0.7543000     1.504000      ?             ?      
1 1 1 33 17 50 f -0.3702000     1.199000      ?             ?      
1 1 1 33 17 51 o -3.024000      1.187000      ?             ?      
1 1 1 33 17 52 o -2.173000      1.100000      ?             ?      
1 1 1 33 17 53 o -0.2559000     1.226000      ?             ?      
1 1 1 33 17 54 o -0.3043000     1.576000      ?             ?      
1 1 1 33 17 55 o 0.4604000      1.598000      ?             ?      
1 1 1 33 17 56 o -0.6195000     1.336000      ?             ?      
1 1 1 33 17 57 o -0.2136000     1.187000      ?             ?      
1 1 1 33 17 58 o 2.004000       1.203000      ?             ?      
1 1 1 33 17 59 o -4.974000      1.660000      ?             ?      
1 1 1 33 18 0  o -2.480000      1.828000      89.02577      90.0   
1 1 1 33 18 1  o -1.186000      1.565000      51.29547      24.5   
1 1 1 33 18 2  o 2.387000       1.625000      147.6242      17.2   
1 1 1 33 18 3  o -0.8463000     1.488000      107.4749      150.7  
1 1 1 33 18 4  o 0.2723000      1.263000      172.9551      5.9    
1 1 1 33 18 5  f 0.2285000      1.319000      124.6445      -110.3 
1 1 1 33 18 6  o 1.726000       1.281000      136.9961      127.7  
1 1 1 33 18 7  o 1.809000       1.401000      280.7314      6.4    
1 1 1 33 18 8  o -0.1631000     1.272000      35.60157      -83.9  
1 1 1 33 18 9  o 0.5905000      1.464000      48.47650      -118.9 
1 1 1 33 18 10 o -1.473000      1.290000      86.35894      -171.3 
1 1 1 33 18 11 o 0.5002000      1.314000      172.5427      54.7   
1 1 1 33 18 12 o -0.7032000     1.292000      169.2134      98.6   
1 1 1 33 18 13 o -2.081000      1.185000      64.02248      -151.7 
1 1 1 33 18 14 o 1.554000       1.166000      153.4758      32.6   
1 1 1 33 18 15 o 0.6652000      1.154000      145.6214      57.9   
1 1 1 33 18 16 o 0.3106000      1.152000      141.0612      153.2  
1 1 1 33 18 17 o 1.295000       1.174000      90.07719      132.6  
1 1 1 33 18 18 o 0.2211000      1.180000      145.5388      -79.5  
1 1 1 33 18 19 o 0.1474000      1.113000      91.16494      67.8   
1 1 1 33 18 20 o -1.454000      1.103000      142.2770      128.8  
1 1 1 33 18 21 o -1.115000      1.182000      119.9647      -149.5 
1 1 1 33 18 22 o -1.872000      1.044000      97.39688      -44.4  
1 1 1 33 18 23 o -1.241000      1.059000      16.48211      -115.0 
1 1 1 33 18 24 o 0.2579000      1.128000      116.7032      -2.9   
1 1 1 33 18 25 o 1.902000       1.149000      130.5643      -82.8  
1 1 1 33 18 26 o 0.9543000      1.181000      37.08609      -47.5  
1 1 1 33 18 27 o -0.3115000     1.213000      85.78494      120.5  
1 1 1 33 18 28 o -0.2065000     1.388000      12.77574      -4.2   
1 1 1 33 18 29 o -0.4193000     1.271000      60.38715      -18.3  
1 1 1 33 18 30 o -0.5710000     1.343000      116.2110      -64.3  
1 1 1 33 18 31 o -0.6475000E-01 1.205000      44.14909      -7.9   
1 1 1 33 18 32 o 1.621000       1.131000      79.28226      62.0   
1 1 1 33 18 33 o 1.326000       1.127000      180.0455      144.0  
1 1 1 33 18 34 o -2.340000      1.128000      55.13514      -95.6  
1 1 1 33 18 35 o 0.2822000      1.241000      126.5386      36.2   
1 1 1 33 18 36 o 0.6510000      1.342000      125.7950      73.2   
1 1 1 33 18 37 o 1.685000       1.211000      ?             ?      
1 1 1 33 18 38 o 0.7098000      1.112000      ?             ?      
1 1 1 33 18 39 o -1.302000      1.043000      ?             ?      
1 1 1 33 18 40 o 0.2255000      1.050000      ?             ?      
1 1 1 33 18 41 o -0.5646000     1.049000      ?             ?      
1 1 1 33 18 42 o 2.435000       1.054000      ?             ?      
1 1 1 33 18 43 o 0.5024000      1.038000      ?             ?      
1 1 1 33 18 44 o 0.7497000E-01  1.047000      ?             ?      
1 1 1 33 18 45 o -1.821000      1.028000      ?             ?      
1 1 1 33 18 46 o -0.3424000     1.065000      ?             ?      
1 1 1 33 18 47 o -1.168000      1.059000      ?             ?      
1 1 1 33 18 48 o 0.4686000      1.290000      ?             ?      
1 1 1 33 18 49 o 0.6061000      1.304000      ?             ?      
1 1 1 33 18 50 o 0.7626000      1.208000      ?             ?      
1 1 1 33 18 51 o 1.001000       1.206000      ?             ?      
1 1 1 33 18 52 o -0.5889000     1.100000      ?             ?      
1 1 1 33 18 53 o 0.8750000E-01  1.450000      ?             ?      
1 1 1 33 18 54 o 0.7662000      1.504000      ?             ?      
1 1 1 33 18 55 o -1.451000      1.447000      ?             ?      
1 1 1 33 18 56 o -1.338000      1.430000      ?             ?      
1 1 1 33 18 57 o 0.7317000      1.189000      ?             ?      
1 1 1 33 18 58 o 0.9936000      1.219000      ?             ?      
1 1 1 33 19 0  o -1.863000      1.816000      190.2570      90.0   
1 1 1 33 19 1  o 0.8426000      1.583000      123.2024      -154.5 
1 1 1 33 19 2  o -1.926000      1.514000      51.48970      -0.1   
1 1 1 33 19 3  o -1.623000      1.307000      54.53642      -84.1  
1 1 1 33 19 4  o -0.5489000     1.254000      36.76611      14.8   
1 1 1 33 19 5  o -3.058000      1.351000      149.4799      148.3  
1 1 1 33 19 6  o -0.9138000     1.244000      63.36219      -114.0 
1 1 1 33 19 7  o 0.4767000      1.178000      96.04099      -140.1 
1 1 1 33 19 8  o -2.443000      1.288000      143.5226      108.8  
1 1 1 33 19 9  o -1.256000      1.281000      102.6346      -73.5  
1 1 1 33 19 10 o 1.341000       1.242000      12.33162      10.5   
1 1 1 33 19 11 o -0.2438000     1.266000      31.41608      23.2   
1 1 1 33 19 12 o 0.1190000      1.193000      94.13824      102.6  
1 1 1 33 19 13 o -1.105000      1.215000      74.44614      -32.2  
1 1 1 33 19 14 o -0.3917000     1.203000      163.5813      50.6   
1 1 1 33 19 15 o 1.053000       1.130000      62.72470      105.5  
1 1 1 33 19 16 o -1.338000      1.155000      81.93754      -130.1 
1 1 1 33 19 17 o 0.5007000      1.168000      71.87607      -14.1  
1 1 1 33 19 18 o -0.8251000     1.172000      47.41448      106.5  
1 1 1 33 19 19 o -0.4437000     1.109000      5.789977      151.0  
1 1 1 33 19 20 o -0.3506000     1.104000      60.57173      -99.3  
1 1 1 33 19 21 o -0.9011000     1.213000      78.66432      -170.2 
1 1 1 33 19 22 o 1.316000       1.225000      98.90366      5.1    
1 1 1 33 19 23 o 0.9094000      1.048000      107.8331      91.7   
1 1 1 33 19 24 o -0.1267000     1.063000      55.02090      -57.6  
1 1 1 33 19 25 o -0.7781000     1.150000      53.01418      53.4   
1 1 1 33 19 26 o -2.736000      1.171000      111.4530      -33.7  
1 1 1 33 19 27 o -0.2488000     1.196000      108.1296      6.2    
1 1 1 33 19 28 o 1.116000       1.391000      61.81160      -71.2  
1 1 1 33 19 29 o 1.410000       1.289000      48.62230      -71.6  
1 1 1 33 19 30 o -1.016000      1.271000      68.79037      86.1   
1 1 1 33 19 31 o -3.669000      1.247000      47.84391      -179.5 
1 1 1 33 19 32 o -0.1708000     1.128000      72.30663      103.5  
1 1 1 33 19 33 o -1.002000      1.109000      52.63815      -62.4  
1 1 1 33 19 34 o 1.532000       1.156000      61.39113      -99.8  
1 1 1 33 19 35 o 2.264000       1.248000      57.76855      93.0   
1 1 1 33 19 36 o -0.1411000     1.336000      ?             ?      
1 1 1 33 19 37 o 0.4582000      1.181000      ?             ?      
1 1 1 33 19 38 o 0.1265000      1.057000      ?             ?      
1 1 1 33 19 39 o 1.498000       1.039000      ?             ?      
1 1 1 33 19 40 o 0.9622000      1.033000      ?             ?      
1 1 1 33 19 41 o -0.7056000     1.033000      ?             ?      
1 1 1 33 19 42 o 1.957000       1.040000      ?             ?      
1 1 1 33 19 43 o 1.746000       1.040000      ?             ?      
1 1 1 33 19 44 o 0.6343000      1.039000      ?             ?      
1 1 1 33 19 45 o -0.5462000     1.028000      ?             ?      
1 1 1 33 19 46 o 1.015000       1.031000      ?             ?      
1 1 1 33 19 47 o -0.6685000     1.079000      ?             ?      
1 1 1 33 19 48 o -0.1444000     1.306000      ?             ?      
1 1 1 33 19 49 o 1.280000       1.295000      ?             ?      
1 1 1 33 19 50 o 1.100000       1.375000      ?             ?      
1 1 1 33 19 51 o 0.5234000      1.195000      ?             ?      
1 1 1 33 19 52 o -2.562000      1.104000      ?             ?      
1 1 1 33 19 53 o 0.4076000      1.305000      ?             ?      
1 1 1 33 19 54 o -0.6385000     1.597000      ?             ?      
1 1 1 33 19 55 o 0.4795000      1.588000      ?             ?      
1 1 1 33 19 56 o 1.038000       1.897000      ?             ?      
1 1 1 33 19 57 o -0.5488000     1.190000      ?             ?      
1 1 1 33 19 58 o -0.2714000     1.660000      ?             ?      
1 1 1 33 20 0  o 1.088000       1.846000      77.81886      -90.0  
1 1 1 33 20 1  o -0.1801000     1.529000      105.0961      125.4  
1 1 1 33 20 2  o 1.138000       1.521000      87.44472      42.0   
1 1 1 33 20 3  o -2.455000      1.486000      90.66350      -171.1 
1 1 1 33 20 4  o -2.859000      1.148000      53.82253      154.1  
1 1 1 33 20 5  o -1.405000      1.334000      91.88734      -162.9 
1 1 1 33 20 6  o 1.256000       1.233000      96.79730      2.7    
1 1 1 33 20 7  o 0.6688000      1.227000      151.5971      -0.2   
1 1 1 33 20 8  o -0.3230000     1.333000      63.83667      -144.6 
1 1 1 33 20 9  o 1.518000       1.257000      70.05825      -135.8 
1 1 1 33 20 10 o 0.9492000      1.253000      33.01325      -96.8  
1 1 1 33 20 11 o 1.285000       1.269000      89.49039      144.2  
1 1 1 33 20 12 o -0.9536000     1.207000      73.42307      169.6  
1 1 1 33 20 13 o 0.6301000      1.196000      85.79450      146.1  
1 1 1 33 20 14 o -2.442000      1.084000      38.40424      45.2   
1 1 1 33 20 15 o 1.122000       1.153000      88.38902      168.2  
1 1 1 33 20 16 o -1.444000      1.219000      42.27518      -74.9  
1 1 1 33 20 17 o -1.355000      1.239000      52.62201      97.9   
1 1 1 33 20 18 o -1.105000      1.173000      19.27256      27.2   
1 1 1 33 20 19 o -0.1186000     1.109000      89.19273      -137.0 
1 1 1 33 20 20 o 0.3261000      1.115000      60.20757      -83.2  
1 1 1 33 20 21 o 0.3835000      1.108000      5.335976      10.8   
1 1 1 33 20 22 o 0.8345000      1.173000      78.13548      -159.7 
1 1 1 33 20 23 o -2.569000      1.221000      22.67774      -21.3  
1 1 1 33 20 24 o -0.4805000     1.078000      99.09252      -27.6  
1 1 1 33 20 25 o 2.799000       1.175000      83.89916      35.7   
1 1 1 33 20 26 o 0.3027000      1.170000      106.8343      150.9  
1 1 1 33 20 27 o 1.484000       1.178000      74.47675      150.4  
1 1 1 33 20 28 o 0.6781000      1.206000      64.79678      37.1   
1 1 1 33 20 29 o -2.450000      1.367000      50.05001      -53.1  
1 1 1 33 20 30 o -0.3626000     1.266000      49.94530      -83.7  
1 1 1 33 20 31 o -0.7912000     1.244000      47.48267      -124.6 
1 1 1 33 20 32 o -0.4715000     1.238000      46.04606      135.5  
1 1 1 33 20 33 o 0.2963000      1.151000      108.4254      -167.5 
1 1 1 33 20 34 o -1.403000      1.227000      69.36875      -19.2  
1 1 1 33 20 35 o 0.2919000      1.307000      88.96922      25.0   
1 1 1 33 20 36 o -2.454000      1.174000      ?             ?      
1 1 1 33 20 37 o 0.2553000      1.104000      ?             ?      
1 1 1 33 20 38 o -1.051000      1.047000      ?             ?      
1 1 1 33 20 39 o -1.739000      1.040000      ?             ?      
1 1 1 33 20 40 o -1.013000      1.020000      ?             ?      
1 1 1 33 20 41 o 0.3960000      1.019000      ?             ?      
1 1 1 33 20 42 o 0.4948000      1.018000      ?             ?      
1 1 1 33 20 43 o 0.6423000      1.023000      ?             ?      
1 1 1 33 20 44 f -0.1731000     1.024000      ?             ?      
1 1 1 33 20 45 o 1.064000       1.027000      ?             ?      
1 1 1 33 20 46 o -0.9005000     1.031000      ?             ?      
1 1 1 33 20 47 o -0.2930000     1.042000      ?             ?      
1 1 1 33 20 48 o 0.1399000E-01  1.060000      ?             ?      
1 1 1 33 20 49 o 0.6376000      1.303000      ?             ?      
1 1 1 33 20 50 o -0.6696000     1.379000      ?             ?      
1 1 1 33 20 51 o -0.2235000     1.190000      ?             ?      
1 1 1 33 20 52 o -0.1957000     1.235000      ?             ?      
1 1 1 33 20 53 o 1.022000       1.292000      ?             ?      
1 1 1 33 20 54 o -0.1595000     1.465000      ?             ?      
1 1 1 33 20 55 o -2.541000      1.444000      ?             ?      
1 1 1 33 20 56 o 0.6269000      1.273000      ?             ?      
1 1 1 33 20 57 o 0.8855000      1.273000      ?             ?      
1 1 1 33 20 58 o 5.412000       4.177000      ?             ?      
1 1 1 33 21 0  o -0.9664000     2.411000      86.24796      90.0   
1 1 1 33 21 1  o -1.228000      1.293000      15.64686      -51.0  
1 1 1 33 21 2  o -2.713000      1.300000      78.79153      -69.7  
1 1 1 33 21 3  o -1.315000      1.187000      73.84332      -127.7 
1 1 1 33 21 4  o 0.2995000      1.352000      13.68578      -28.8  
1 1 1 33 21 5  o -1.730000      1.434000      43.77484      129.5  
1 1 1 33 21 6  o 0.2530000E-01  1.220000      34.19834      104.7  
1 1 1 33 21 7  o -0.6225000     1.188000      27.91386      164.3  
1 1 1 33 21 8  o -1.960000      1.332000      27.25783      82.1   
1 1 1 33 21 9  o 2.269000       1.262000      65.86942      5.4    
1 1 1 33 21 10 o -0.6191000     1.177000      33.66467      91.8   
1 1 1 33 21 11 o 0.9490000      1.204000      21.10962      97.7   
1 1 1 33 21 12 o 0.3433000      1.105000      24.64780      -109.7 
1 1 1 33 21 13 o -0.4374000     1.084000      25.52282      118.4  
1 1 1 33 21 14 o -0.3807000     1.078000      67.43165      170.9  
1 1 1 33 21 15 o -2.323000      1.209000      80.57465      -77.7  
1 1 1 33 21 16 o 0.4469000      1.346000      91.80643      -93.7  
1 1 1 33 21 17 o -1.902000      1.203000      58.38355      36.5   
1 1 1 33 21 18 o 1.156000       1.187000      45.64347      -161.4 
1 1 1 33 21 19 o -2.000000      1.150000      55.08689      32.8   
1 1 1 33 21 20 o -0.5891000E-01 1.121000      13.32941      -38.7  
1 1 1 33 21 21 o 0.1344000      1.130000      17.32038      79.1   
1 1 1 33 21 22 o -1.611000      1.206000      35.82002      129.7  
1 1 1 33 21 23 o -1.992000      1.216000      29.69136      -153.2 
1 1 1 33 21 24 o 0.6485000      1.136000      59.92772      33.3   
1 1 1 33 21 25 o -0.4709000     1.099000      14.49275      -28.0  
1 1 1 33 21 26 o -1.325000      1.166000      63.44567      -104.9 
1 1 1 33 21 27 o -0.3564000     1.192000      74.45371      -69.6  
1 1 1 33 21 28 o 0.4509000E-01  1.168000      51.81014      -168.1 
1 1 1 33 21 29 o 2.248000       1.256000      68.38331      115.1  
1 1 1 33 21 30 o 0.6583000      1.336000      30.06701      -118.8 
1 1 1 33 21 31 o 0.6784000      1.237000      31.61930      24.7   
1 1 1 33 21 32 o 0.4154000      1.238000      49.34224      -15.3  
1 1 1 33 21 33 o 1.291000       1.271000      59.83721      -102.7 
1 1 1 33 21 34 o -2.417000      1.335000      62.02267      120.4  
1 1 1 33 21 35 o 0.7184000      1.304000      ?             ?      
1 1 1 33 21 36 o 1.681000       1.096000      ?             ?      
1 1 1 33 21 37 o -0.9592000     1.030000      ?             ?      
1 1 1 33 21 38 o -1.018000      1.031000      ?             ?      
1 1 1 33 21 39 o -0.4472000     1.034000      ?             ?      
1 1 1 33 21 40 o -0.8885000     1.030000      ?             ?      
1 1 1 33 21 41 o 0.1666000      1.020000      ?             ?      
1 1 1 33 21 42 o 0.2905000      1.004000      ?             ?      
1 1 1 33 21 43 o -1.491000      1.008000      ?             ?      
1 1 1 33 21 44 o -1.390000      1.015000      ?             ?      
1 1 1 33 21 45 o -1.228000      1.015000      ?             ?      
1 1 1 33 21 46 o -1.083000      1.013000      ?             ?      
1 1 1 33 21 47 o -0.6596000E-01 1.025000      ?             ?      
1 1 1 33 21 48 o 0.1597000E-02  1.037000      ?             ?      
1 1 1 33 21 49 o -0.6663000     1.251000      ?             ?      
1 1 1 33 21 50 o 1.297000       1.296000      ?             ?      
1 1 1 33 21 51 o 0.1107000      1.203000      ?             ?      
1 1 1 33 21 52 o -0.1782000     1.434000      ?             ?      
1 1 1 33 21 53 o 1.429000       1.448000      ?             ?      
1 1 1 33 21 54 o 0.5553000      1.294000      ?             ?      
1 1 1 33 21 55 o -0.9810000     1.598000      ?             ?      
1 1 1 33 21 56 o 2.740000       1.366000      ?             ?      
1 1 1 33 21 57 o -1.503000      1.273000      ?             ?      
1 1 1 33 22 0  o -3.084000      1.786000      6.438601      -90.0  
1 1 1 33 22 1  o -2.010000      1.183000      82.86908      42.8   
1 1 1 33 22 2  o -0.1042000     1.158000      45.81275      -43.6  
1 1 1 33 22 3  o 0.4011000      1.129000      36.34995      -79.5  
1 1 1 33 22 4  o -1.691000      1.307000      43.23983      118.2  
1 1 1 33 22 5  o 0.4702000E-01  1.244000      27.63667      -69.9  
1 1 1 33 22 6  o -1.081000      1.153000      28.57348      -52.0  
1 1 1 33 22 7  o 1.145000       1.575000      21.61592      120.6  
1 1 1 33 22 8  o -0.5947000     1.592000      40.25465      123.9  
1 1 1 33 22 9  o -0.1133000E-01 1.327000      60.65147      -69.0  
1 1 1 33 22 10 o -0.5366000E-01 1.198000      49.83152      -144.2 
1 1 1 33 22 11 o -1.715000      1.102000      26.66743      -101.2 
1 1 1 33 22 12 o -1.795000      1.105000      40.50401      -55.3  
1 1 1 33 22 13 o 0.8186000      1.106000      9.305460      42.8   
1 1 1 33 22 14 o -0.6018000     1.101000      36.45536      -12.7  
1 1 1 33 22 15 o -0.2998000     1.105000      28.93884      -91.6  
1 1 1 33 22 16 o -0.7056000     1.177000      22.21909      63.3   
1 1 1 33 22 17 o -0.3711000E-02 1.184000      53.23499      123.6  
1 1 1 33 22 18 o 2.037000       1.340000      44.96137      2.8    
1 1 1 33 22 19 o -2.234000      1.282000      26.77722      -82.9  
1 1 1 33 22 20 o -2.474000      1.156000      23.32136      125.8  
1 1 1 33 22 21 o 1.244000       1.262000      54.41173      28.0   
1 1 1 33 22 22 o 1.465000       1.255000      32.63340      -138.7 
1 1 1 33 22 23 o -0.6690000     1.248000      24.56294      120.7  
1 1 1 33 22 24 o 0.2183000      1.231000      69.75006      65.2   
1 1 1 33 22 25 o -2.352000      1.126000      23.49919      15.3   
1 1 1 33 22 26 o -0.9939000     1.101000      67.70339      -177.4 
1 1 1 33 22 27 o -0.1844000     1.189000      31.00961      -57.8  
1 1 1 33 22 28 o -0.6338000     1.168000      29.78614      -61.4  
1 1 1 33 22 29 o -1.820000      1.178000      41.06859      -97.1  
1 1 1 33 22 30 o 0.1654000      1.329000      29.61710      -134.8 
1 1 1 33 22 31 o -1.192000      1.256000      32.23962      -54.3  
1 1 1 33 22 32 o -1.121000      1.309000      47.68003      -43.7  
1 1 1 33 22 33 o 0.9007000      1.430000      71.35763      36.0   
1 1 1 33 22 34 o -0.1628000     1.295000      ?             ?      
1 1 1 33 22 35 o -2.436000      1.282000      ?             ?      
1 1 1 33 22 36 o -0.4631000     1.076000      ?             ?      
1 1 1 33 22 37 o 0.8726000      1.037000      ?             ?      
1 1 1 33 22 38 o -0.7308000     1.028000      ?             ?      
1 1 1 33 22 39 o -0.5494000     1.028000      ?             ?      
1 1 1 33 22 40 f -0.6473000     1.025000      ?             ?      
1 1 1 33 22 41 o 0.6888000      1.027000      ?             ?      
1 1 1 33 22 42 o -0.3458000     1.002000      ?             ?      
1 1 1 33 22 43 o 0.6133000      1.000000      ?             ?      
1 1 1 33 22 44 o -0.4187000     0.9974000     ?             ?      
1 1 1 33 22 45 o -1.283000      0.9965000     ?             ?      
1 1 1 33 22 46 o 0.7318000      1.010000      ?             ?      
1 1 1 33 22 47 f -0.4544000     1.011000      ?             ?      
1 1 1 33 22 48 o 0.1331000      1.027000      ?             ?      
1 1 1 33 22 49 o 0.6945000      1.257000      ?             ?      
1 1 1 33 22 50 o 0.5405000      1.258000      ?             ?      
1 1 1 33 22 51 o -0.9606000     1.423000      ?             ?      
1 1 1 33 22 52 o 0.5984000      1.428000      ?             ?      
1 1 1 33 22 53 o -0.6358000     1.280000      ?             ?      
1 1 1 33 22 54 o 0.2182000      1.206000      ?             ?      
1 1 1 33 22 55 o -1.067000      1.266000      ?             ?      
1 1 1 33 22 56 o -1.297000      1.269000      ?             ?      
1 1 1 33 22 57 o -1.072000      2.888000      ?             ?      
1 1 1 33 23 0  o -1.993000      1.716000      57.24093      -90.0  
1 1 1 33 23 1  o -1.002000      1.066000      75.10638      133.1  
1 1 1 33 23 2  o 0.8178000E-01  1.082000      113.8634      72.3   
1 1 1 33 23 3  o -2.545000      1.110000      52.85917      16.0   
1 1 1 33 23 4  o 1.213000       1.184000      53.29860      -170.6 
1 1 1 33 23 5  o -1.599000      1.191000      62.48356      80.7   
1 1 1 33 23 6  o 0.5771000      1.187000      63.57841      6.4    
1 1 1 33 23 7  f -0.9806000     1.405000      53.84784      24.1   
1 1 1 33 23 8  o 0.6158000      1.198000      141.5557      86.7   
1 1 1 33 23 9  o -0.8863000E-01 1.196000      54.17196      -17.4  
1 1 1 33 23 10 o -1.897000      1.365000      12.77433      124.2  
1 1 1 33 23 11 o -0.4391000     1.339000      10.07966      3.1    
1 1 1 33 23 12 o -0.1296000     1.195000      54.06352      -77.2  
1 1 1 33 23 13 o -1.098000      1.100000      36.46994      129.8  
1 1 1 33 23 14 o -0.8671000     1.105000      31.62552      -66.5  
1 1 1 33 23 15 o -1.800000      1.124000      25.11575      -90.4  
1 1 1 33 23 16 o 0.8792000      1.187000      32.11821      -87.8  
1 1 1 33 23 17 o -2.066000      1.195000      74.81148      167.6  
1 1 1 33 23 18 o 0.8519000      1.199000      20.83453      64.0   
1 1 1 33 23 19 o -1.898000      1.164000      45.49662      91.8   
1 1 1 33 23 20 o -0.2085000     1.180000      73.51428      139.9  
1 1 1 33 23 21 o 1.075000       1.455000      16.18268      -117.3 
1 1 1 33 23 22 o -1.524000      1.440000      72.24578      -171.6 
1 1 1 33 23 23 o 0.7635000      1.285000      100.8554      173.4  
1 1 1 33 23 24 o 2.060000       1.290000      96.90314      -54.6  
1 1 1 33 23 25 o -3.330000      1.264000      32.28874      -30.4  
1 1 1 33 23 26 o 0.8859000      1.165000      109.2322      70.6   
1 1 1 33 23 27 o 0.4915000      1.175000      36.28484      -141.9 
1 1 1 33 23 28 o -1.191000      1.161000      91.19454      111.0  
1 1 1 33 23 29 o 0.5088000      1.158000      47.05229      -5.3   
1 1 1 33 23 30 o 0.3555000      1.167000      28.96683      -147.9 
1 1 1 33 23 31 o -0.3010000     1.362000      60.12568      12.1   
1 1 1 33 23 32 o 0.1479000      1.326000      71.27615      93.3   
1 1 1 33 23 33 o 0.2095000      1.548000      ?             ?      
1 1 1 33 23 34 o -0.3970000E-02 1.462000      ?             ?      
1 1 1 33 23 35 o -1.423000      1.094000      ?             ?      
1 1 1 33 23 36 o -0.1072000     1.071000      ?             ?      
1 1 1 33 23 37 o -0.7694000     1.029000      ?             ?      
1 1 1 33 23 38 o 0.3480000E-01  1.027000      ?             ?      
1 1 1 33 23 39 o 1.161000       1.026000      ?             ?      
1 1 1 33 23 40 o 1.135000       1.016000      ?             ?      
1 1 1 33 23 41 o 0.4551000      1.003000      ?             ?      
1 1 1 33 23 42 o -3.245000      1.003000      ?             ?      
1 1 1 33 23 43 o -0.4818000     1.002000      ?             ?      
1 1 1 33 23 44 o -0.9140000     0.9883000     ?             ?      
1 1 1 33 23 45 o 1.488000       1.001000      ?             ?      
1 1 1 33 23 46 o -1.277000      0.9943000     ?             ?      
1 1 1 33 23 47 o 0.4772000E-01  1.008000      ?             ?      
1 1 1 33 23 48 o -1.431000      1.018000      ?             ?      
1 1 1 33 23 49 o -1.025000      1.037000      ?             ?      
1 1 1 33 23 50 o -0.4123000     1.262000      ?             ?      
1 1 1 33 23 51 o 1.089000       1.610000      ?             ?      
1 1 1 33 23 52 o -1.081000      1.808000      ?             ?      
1 1 1 33 23 53 o -0.6050000     1.417000      ?             ?      
1 1 1 33 23 54 o -1.551000      1.154000      ?             ?      
1 1 1 33 23 55 o -0.4357000     1.177000      ?             ?      
1 1 1 33 23 56 o -0.9059000     1.341000      ?             ?      
1 1 1 33 24 0  o 0.9309000      1.513000      59.34132      -90.0  
1 1 1 33 24 1  o -1.138000      1.074000      169.9458      22.4   
1 1 1 33 24 2  o -1.598000      1.048000      32.16669      1.5    
1 1 1 33 24 3  o 1.205000       1.123000      152.7585      77.5   
1 1 1 33 24 4  o 0.3295000E-01  1.201000      85.02413      59.0   
1 1 1 33 24 5  o 0.4382000E-01  1.215000      92.57293      -178.7 
1 1 1 33 24 6  o 0.9561000      1.262000      152.2715      174.1  
1 1 1 33 24 7  o -0.6076000     1.287000      66.62480      -96.8  
1 1 1 33 24 8  o 0.2577000      1.163000      21.07963      -48.5  
1 1 1 33 24 9  o -0.3104000     1.171000      19.92986      -100.4 
1 1 1 33 24 10 o 0.5130000E-01  1.167000      136.3025      20.9   
1 1 1 33 24 11 o 0.9767000      1.138000      75.09444      1.6    
1 1 1 33 24 12 o -1.796000      1.175000      56.46214      10.3   
1 1 1 33 24 13 o -0.8312000     1.193000      37.07590      47.3   
1 1 1 33 24 14 o -0.4896000     1.210000      74.19318      -38.7  
1 1 1 33 24 15 o -0.2412000     1.222000      121.4015      -44.8  
1 1 1 33 24 16 o 0.3249000      1.225000      114.7727      -91.5  
1 1 1 33 24 17 o -1.548000      1.242000      90.79865      90.3   
1 1 1 33 24 18 o -0.3207000     1.223000      88.83904      -93.0  
1 1 1 33 24 19 o 0.5190000      1.192000      58.72355      168.0  
1 1 1 33 24 20 o 0.8075000E-01  1.196000      81.61103      155.6  
1 1 1 33 24 21 o 0.9868000      1.313000      100.8329      -47.0  
1 1 1 33 24 22 o 1.426000       1.284000      114.0620      -54.7  
1 1 1 33 24 23 o -0.6728000     1.286000      138.4358      22.3   
1 1 1 33 24 24 o 1.844000       1.451000      75.84283      158.9  
1 1 1 33 24 25 o 0.1609000      1.453000      89.04528      169.7  
1 1 1 33 24 26 o -1.871000      1.228000      24.87005      176.4  
1 1 1 33 24 27 o 0.9606000      1.209000      104.2445      -104.2 
1 1 1 33 24 28 o 0.6069000      1.250000      28.40881      -89.1  
1 1 1 33 24 29 o -0.1405000     1.162000      7.228753      171.2  
1 1 1 33 24 30 o 0.5042000E-01  1.161000      66.01803      -66.4  
1 1 1 33 24 31 o 0.2483000      1.285000      88.69824      -89.7  
1 1 1 33 24 32 o 1.514000       1.366000      ?             ?      
1 1 1 33 24 33 o 1.711000       1.471000      ?             ?      
1 1 1 33 24 34 o -1.982000      1.503000      ?             ?      
1 1 1 33 24 35 o 0.2869000      1.096000      ?             ?      
1 1 1 33 24 36 o -0.5166000     1.023000      ?             ?      
1 1 1 33 24 37 o 0.2437000E-01  1.015000      ?             ?      
1 1 1 33 24 38 o 1.288000       1.016000      ?             ?      
1 1 1 33 24 39 o 0.6220000      1.013000      ?             ?      
1 1 1 33 24 40 o -0.9085000     0.9882000     ?             ?      
1 1 1 33 24 41 o -0.7204000     0.9910000     ?             ?      
1 1 1 33 24 42 o 0.4584000E-01  0.9981000     ?             ?      
1 1 1 33 24 43 o 0.2758000      0.9979000     ?             ?      
1 1 1 33 24 44 o 0.4189000      1.017000      ?             ?      
1 1 1 33 24 45 o 0.3337000      1.004000      ?             ?      
1 1 1 33 24 46 o 1.280000       0.9933000     ?             ?      
1 1 1 33 24 47 o 0.1724000      1.006000      ?             ?      
1 1 1 33 24 48 o -0.4631000     1.007000      ?             ?      
1 1 1 33 24 49 o -0.2943000E-02 1.026000      ?             ?      
1 1 1 33 24 50 o 0.9573000      1.415000      ?             ?      
1 1 1 33 24 51 o -1.163000      1.509000      ?             ?      
1 1 1 33 24 52 o -0.7725000     1.524000      ?             ?      
1 1 1 33 24 53 o 0.7571000      1.235000      ?             ?      
1 1 1 33 24 54 o 0.1147000      1.238000      ?             ?      
1 1 1 33 24 55 o 0.2012000      1.268000      ?             ?      
1 1 1 33 25 0  o 3.667000       1.559000      192.5790      90.0   
1 1 1 33 25 1  o -0.4082000     1.087000      61.95248      130.1  
1 1 1 33 25 2  o 0.4293000      1.020000      108.1225      137.0  
1 1 1 33 25 3  o -1.282000      1.110000      120.1893      161.7  
1 1 1 33 25 4  o 1.554000       1.134000      67.57830      163.3  
1 1 1 33 25 5  o 2.439000       1.239000      181.0693      -44.9  
1 1 1 33 25 6  o 0.4605000      1.332000      91.97548      -46.9  
1 1 1 33 25 7  o -0.7166000     1.253000      94.46642      26.7   
1 1 1 33 25 8  o 0.8626000      1.164000      108.9521      5.2    
1 1 1 33 25 9  o -0.2999000     1.189000      59.67593      147.8  
1 1 1 33 25 10 o 0.6610000      1.106000      121.9710      -122.8 
1 1 1 33 25 11 o -1.166000      1.089000      71.72559      -48.3  
1 1 1 33 25 12 o 0.2141000      1.108000      184.4036      -15.3  
1 1 1 33 25 13 o 2.354000       1.146000      134.8691      36.1   
1 1 1 33 25 14 o -0.1248000     1.170000      127.0822      60.7   
1 1 1 33 25 15 o -0.3512000     1.240000      128.7075      -22.5  
1 1 1 33 25 16 o -1.407000      1.514000      50.35419      1.5    
1 1 1 33 25 17 o -0.9324000E-01 1.380000      124.3481      8.6    
1 1 1 33 25 18 o 0.1455000E-01  1.247000      96.82762      35.8   
1 1 1 33 25 19 o -0.4776000     1.211000      76.11209      -68.6  
1 1 1 33 25 20 o -0.1030000     1.210000      61.90346      76.9   
1 1 1 33 25 21 o -0.3864000     1.283000      84.16067      78.0   
1 1 1 33 25 22 o -3.508000      1.409000      90.36819      113.9  
1 1 1 33 25 23 o 1.439000       1.270000      73.42387      176.7  
1 1 1 33 25 24 o 0.9276000      1.270000      182.2510      -71.8  
1 1 1 33 25 25 o -0.8270000     1.239000      79.58582      58.9   
1 1 1 33 25 26 o -0.2114000     1.245000      160.5519      30.2   
1 1 1 33 25 27 o 0.8965000      1.405000      112.6030      76.1   
1 1 1 33 25 28 o 0.4391000E-01  1.225000      87.39291      51.2   
1 1 1 33 25 29 o 1.437000       1.134000      83.31707      39.5   
1 1 1 33 25 30 o 0.9857000      1.307000      8.721246      95.1   
1 1 1 33 25 31 o -0.5679000     1.318000      ?             ?      
1 1 1 33 25 32 o 4.310000       1.838000      ?             ?      
1 1 1 33 25 33 o -0.7388000     1.453000      ?             ?      
1 1 1 33 25 34 o 3.324000       1.333000      ?             ?      
1 1 1 33 25 35 o -0.4973000     1.281000      ?             ?      
1 1 1 33 25 36 o -0.4076000     1.030000      ?             ?      
1 1 1 33 25 37 o -0.8877000     1.011000      ?             ?      
1 1 1 33 25 38 o 0.4596000      1.002000      ?             ?      
1 1 1 33 25 39 o 1.040000       0.9947000     ?             ?      
1 1 1 33 25 40 o -0.6740000     0.9800000     ?             ?      
1 1 1 33 25 41 o 0.8315000      0.9802000     ?             ?      
1 1 1 33 25 42 o -0.3890000     0.9884000     ?             ?      
1 1 1 33 25 43 o 1.320000       0.9922000     ?             ?      
1 1 1 33 25 44 o 0.4798000      1.022000      ?             ?      
1 1 1 33 25 45 o -0.2188000     1.007000      ?             ?      
1 1 1 33 25 46 o -1.739000      1.028000      ?             ?      
1 1 1 33 25 47 o 0.8281000      0.9977000     ?             ?      
1 1 1 33 25 48 o 0.3266000      1.004000      ?             ?      
1 1 1 33 25 49 o -0.7425000     1.028000      ?             ?      
1 1 1 33 25 50 o -0.8559000     1.474000      ?             ?      
1 1 1 33 25 51 o -1.428000      2.312000      ?             ?      
1 1 1 33 25 52 o 2.976000       2.387000      ?             ?      
1 1 1 33 25 53 o 0.7639000E-01  1.303000      ?             ?      
1 1 1 33 25 54 o 1.006000       1.196000      ?             ?      
1 1 1 33 25 55 o -0.5313000     1.166000      ?             ?      
1 1 1 33 26 0  o 0.4124000      1.570000      5.884327      -90.0  
1 1 1 33 26 1  o 2.196000       1.057000      114.1374      176.1  
1 1 1 33 26 2  o -1.417000      1.003000      77.43027      61.0   
1 1 1 33 26 3  o -2.075000      1.103000      62.98460      16.7   
1 1 1 33 26 4  o -0.1269000E-01 1.139000      143.1120      90.7   
1 1 1 33 26 5  o 1.974000       1.172000      178.2383      102.5  
1 1 1 33 26 6  o -0.1202000     1.321000      99.16267      57.8   
1 1 1 33 26 7  o 1.364000       1.258000      103.8252      -37.2  
1 1 1 33 26 8  o 1.032000       1.217000      210.6678      112.8  
1 1 1 33 26 9  o -0.1379000     1.118000      142.3695      4.0    
1 1 1 33 26 10 o -0.6873000     1.095000      5.057045      88.7   
1 1 1 33 26 11 o 3.127000       1.121000      171.1546      17.8   
1 1 1 33 26 12 o -0.3726000     1.132000      199.2973      133.2  
1 1 1 33 26 13 o 1.940000       1.150000      191.4546      114.8  
1 1 1 33 26 14 o 0.3048000      1.135000      105.2618      82.8   
1 1 1 33 26 15 o -1.029000      1.163000      65.84150      -107.1 
1 1 1 33 26 16 o 0.2129000E-02  1.291000      144.5505      70.6   
1 1 1 33 26 17 o -0.6870000     1.296000      71.51392      155.3  
1 1 1 33 26 18 o 1.829000       1.368000      93.93021      44.2   
1 1 1 33 26 19 o -0.4456000     1.564000      47.12554      147.8  
1 1 1 33 26 20 o -0.6551000     1.547000      76.47452      -167.8 
1 1 1 33 26 21 o 0.9597000E-01  1.299000      98.70169      -65.8  
1 1 1 33 26 22 o -1.051000      1.280000      46.52278      -81.5  
1 1 1 33 26 23 o 1.703000       1.292000      173.7999      79.3   
1 1 1 33 26 24 o 2.331000       1.277000      162.1407      -163.2 
1 1 1 33 26 25 o 0.7202000E-02  1.245000      99.57935      165.6  
1 1 1 33 26 26 o 2.254000       1.244000      73.47338      143.9  
1 1 1 33 26 27 o 0.3787000      1.227000      55.38889      -105.5 
1 1 1 33 26 28 o 2.158000       1.242000      118.5765      151.1  
1 1 1 33 26 29 o 0.9086000      1.169000      130.3898      -69.6  
1 1 1 33 26 30 o 1.373000       1.216000      ?             ?      
1 1 1 33 26 31 o 1.052000       1.308000      ?             ?      
1 1 1 33 26 32 f 0.7343000E-01  1.434000      ?             ?      
1 1 1 33 26 33 o 1.138000       1.658000      ?             ?      
1 1 1 33 26 34 o -1.754000      1.444000      ?             ?      
1 1 1 33 26 35 f 3.365000       1.240000      ?             ?      
1 1 1 33 26 36 o -0.1129000     1.170000      ?             ?      
1 1 1 33 26 37 o -0.5355000     1.015000      ?             ?      
1 1 1 33 26 38 o -0.2828000     0.9961000     ?             ?      
1 1 1 33 26 39 o -0.5111000E-01 0.9945000     ?             ?      
1 1 1 33 26 40 o 0.1133000      0.9885000     ?             ?      
1 1 1 33 26 41 o -1.870000      0.9842000     ?             ?      
1 1 1 33 26 42 o -0.4547000     0.9884000     ?             ?      
1 1 1 33 26 43 o 1.783000       0.9859000     ?             ?      
1 1 1 33 26 44 o 0.4613000E-01  0.9837000     ?             ?      
1 1 1 33 26 45 o 0.6907000E-01  1.013000      ?             ?      
1 1 1 33 26 46 o 0.6597000      1.019000      ?             ?      
1 1 1 33 26 47 o 0.8666000      1.011000      ?             ?      
1 1 1 33 26 48 o 0.2362000      1.019000      ?             ?      
1 1 1 33 26 49 o -0.3617000     1.168000      ?             ?      
1 1 1 33 26 50 o -1.694000      1.339000      ?             ?      
1 1 1 33 26 51 o -0.1874000     1.750000      ?             ?      
1 1 1 33 26 52 o -0.4729000E-01 1.531000      ?             ?      
1 1 1 33 26 53 o -1.096000      1.168000      ?             ?      
1 1 1 33 26 54 o -0.4400000     1.169000      ?             ?      
1 1 1 33 27 0  o 1.278000       1.332000      11.81980      90.0   
1 1 1 33 27 1  o 2.340000       1.064000      108.7132      107.0  
1 1 1 33 27 2  o 2.339000       1.080000      281.8976      168.2  
1 1 1 33 27 3  o 3.603000       1.122000      335.3766      -172.6 
1 1 1 33 27 4  o 1.706000       1.165000      231.1698      166.1  
1 1 1 33 27 5  o -1.592000      1.259000      78.42480      -40.7  
1 1 1 33 27 6  o -0.9194000     1.208000      53.09594      -87.1  
1 1 1 33 27 7  o -1.353000      1.228000      62.74601      -70.3  
1 1 1 33 27 8  o 4.172000       1.340000      179.8973      17.4   
1 1 1 33 27 9  o 3.705000       1.114000      152.4694      -159.0 
1 1 1 33 27 10 o -1.366000      1.113000      82.75100      -127.5 
1 1 1 33 27 11 o 2.414000       1.151000      241.9927      -101.5 
1 1 1 33 27 12 o -0.2861000     1.157000      116.2653      38.8   
1 1 1 33 27 13 o 2.828000       1.199000      213.3306      -114.3 
1 1 1 33 27 14 o -0.8181000     1.178000      79.75080      131.2  
1 1 1 33 27 15 o 3.226000       1.176000      85.87450      54.6   
1 1 1 33 27 16 o 3.323000       1.188000      125.9604      50.2   
1 1 1 33 27 17 o 1.783000       1.241000      26.33537      157.4  
1 1 1 33 27 18 o -0.5030000     1.285000      31.39926      158.4  
1 1 1 33 27 19 o -0.1152000E-01 1.291000      38.14453      121.0  
1 1 1 33 27 20 o 0.2792000      1.401000      69.90983      -139.9 
1 1 1 33 27 21 o 2.431000       1.378000      83.71078      -31.3  
1 1 1 33 27 22 o -1.149000      1.533000      65.95791      -85.3  
1 1 1 33 27 23 o -0.3252000     1.435000      77.61337      -89.9  
1 1 1 33 27 24 o 0.9154000      1.283000      161.6266      -108.3 
1 1 1 33 27 25 o 0.7065000      1.264000      141.3898      65.3   
1 1 1 33 27 26 o -0.2684000     1.233000      105.2742      19.4   
1 1 1 33 27 27 o -0.9368000     1.230000      89.13936      151.5  
1 1 1 33 27 28 o -0.3135000     1.230000      174.4262      1.3    
1 1 1 33 27 29 o 3.113000       1.359000      ?             ?      
1 1 1 33 27 30 o 0.2785000      1.182000      ?             ?      
1 1 1 33 27 31 o 0.2754000      1.368000      ?             ?      
1 1 1 33 27 32 o 0.3822000      1.400000      ?             ?      
1 1 1 33 27 33 o -0.9140000E-01 1.464000      ?             ?      
1 1 1 33 27 34 o 2.757000       1.391000      ?             ?      
1 1 1 33 27 35 o -0.7896000     1.208000      ?             ?      
1 1 1 33 27 36 o -0.3178000     1.257000      ?             ?      
1 1 1 33 27 37 o 1.017000       1.108000      ?             ?      
1 1 1 33 27 38 o -0.6312000     1.014000      ?             ?      
1 1 1 33 27 39 o -0.1689000     0.9975000     ?             ?      
1 1 1 33 27 40 o 0.4335000      0.9877000     ?             ?      
1 1 1 33 27 41 o 2.278000       1.002000      ?             ?      
1 1 1 33 27 42 o 0.4409000      0.9951000     ?             ?      
1 1 1 33 27 43 o -0.7065000     0.9844000     ?             ?      
1 1 1 33 27 44 o -0.8256000     0.9822000     ?             ?      
1 1 1 33 27 45 o -1.043000      1.008000      ?             ?      
1 1 1 33 27 46 o 0.5372000      1.018000      ?             ?      
1 1 1 33 27 47 o 0.3875000      1.119000      ?             ?      
1 1 1 33 27 48 o 0.5148000      1.151000      ?             ?      
1 1 1 33 27 49 o 0.4209000      1.263000      ?             ?      
1 1 1 33 27 50 o -0.5636000     1.242000      ?             ?      
1 1 1 33 27 51 o -2.458000      1.471000      ?             ?      
1 1 1 33 27 52 o 1.012000       1.529000      ?             ?      
1 1 1 33 27 53 o -2.178000      1.160000      ?             ?      
1 1 1 33 27 54 o -0.1060000     2.146000      ?             ?      
1 1 1 33 28 0  o 0.2340000      1.312000      105.2545      -90.0  
1 1 1 33 28 1  o 1.194000       0.9507000     129.4093      -84.2  
1 1 1 33 28 2  o 1.955000       1.098000      144.9296      -90.5  
1 1 1 33 28 3  o 3.337000       1.133000      279.1414      -101.0 
1 1 1 33 28 4  o 1.118000       1.142000      193.5590      77.2   
1 1 1 33 28 5  o 0.5449000      1.277000      54.43769      113.5  
1 1 1 33 28 6  o 2.912000       1.248000      220.1348      47.0   
1 1 1 33 28 7  o -1.386000      1.276000      42.00542      164.6  
1 1 1 33 28 8  o 0.1791000      1.318000      94.09818      110.0  
1 1 1 33 28 9  o 2.100000       1.193000      143.5522      -24.7  
1 1 1 33 28 10 o 0.1107000      1.133000      101.2080      -76.6  
1 1 1 33 28 11 o 5.890000       1.194000      257.0099      32.3   
1 1 1 33 28 12 o 0.6422000E-01  1.175000      26.41392      -82.7  
1 1 1 33 28 13 o 3.316000       1.203000      135.8183      -154.8 
1 1 1 33 28 14 o 1.188000       1.214000      28.76225      -110.6 
1 1 1 33 28 15 o 0.9275000      1.211000      77.65002      145.3  
1 1 1 33 28 16 o 3.495000       1.185000      227.7475      -133.3 
1 1 1 33 28 17 o 0.8885000      1.265000      222.6995      -119.7 
1 1 1 33 28 18 o 3.046000       1.289000      182.0941      -1.8   
1 1 1 33 28 19 o -1.300000      1.266000      131.6925      -85.3  
1 1 1 33 28 20 o 0.1986000      1.406000      122.3499      105.5  
1 1 1 33 28 21 o -0.3477000     1.382000      15.87803      -124.6 
1 1 1 33 28 22 o 2.767000       1.366000      116.3716      127.1  
1 1 1 33 28 23 o 0.7182000      1.344000      79.27459      -28.9  
1 1 1 33 28 24 o 4.146000       1.353000      192.7358      -139.3 
1 1 1 33 28 25 o -1.924000      1.448000      14.86465      -145.8 
1 1 1 33 28 26 o 3.578000       1.423000      109.5324      121.9  
1 1 1 33 28 27 o 0.3836000      1.258000      96.78916      23.1   
1 1 1 33 28 28 o -0.7961000     1.370000      ?             ?      
1 1 1 33 28 29 o 2.249000       1.352000      ?             ?      
1 1 1 33 28 30 o 0.7448000      1.391000      ?             ?      
1 1 1 33 28 31 o 0.9378000      1.391000      ?             ?      
1 1 1 33 28 32 o 2.395000       1.283000      ?             ?      
1 1 1 33 28 33 o -0.5829000     1.168000      ?             ?      
1 1 1 33 28 34 o -1.916000      1.315000      ?             ?      
1 1 1 33 28 35 o 1.479000       1.227000      ?             ?      
1 1 1 33 28 36 o -0.5655000     1.274000      ?             ?      
1 1 1 33 28 37 o -0.9153000     1.251000      ?             ?      
1 1 1 33 28 38 o 0.9761000      1.001000      ?             ?      
1 1 1 33 28 39 o -1.505000      1.059000      ?             ?      
1 1 1 33 28 40 o 0.6959000      1.068000      ?             ?      
1 1 1 33 28 41 o 0.4333000      1.009000      ?             ?      
1 1 1 33 28 42 o -0.5922000     0.9993000     ?             ?      
1 1 1 33 28 43 o -0.1723000     0.9863000     ?             ?      
1 1 1 33 28 44 o -0.1369000     0.9914000     ?             ?      
1 1 1 33 28 45 o 0.5916000      1.108000      ?             ?      
1 1 1 33 28 46 o 1.038000       1.164000      ?             ?      
1 1 1 33 28 47 o -0.3138000     1.099000      ?             ?      
1 1 1 33 28 48 o 1.467000       1.080000      ?             ?      
1 1 1 33 28 49 o 1.327000       1.248000      ?             ?      
1 1 1 33 28 50 o -0.8045000     1.236000      ?             ?      
1 1 1 33 28 51 o 0.9035000      1.430000      ?             ?      
1 1 1 33 28 52 o -0.3498000E-02 1.312000      ?             ?      
1 1 1 33 28 53 o 1.277000       1.268000      ?             ?      
1 1 1 33 29 0  o -3.672000      1.328000      161.9485      90.0   
1 1 1 33 29 1  o -1.001000      0.9507000     47.99861      -72.8  
1 1 1 33 29 2  o 0.3784000      1.120000      37.65279      -23.0  
1 1 1 33 29 3  o 4.857000       1.171000      312.2764      -164.9 
1 1 1 33 29 4  o 1.071000       1.262000      150.2711      137.6  
1 1 1 33 29 5  o 0.7091000      1.265000      50.37253      81.7   
1 1 1 33 29 6  o 2.687000       1.280000      209.7895      -59.5  
1 1 1 33 29 7  o 1.614000       1.317000      123.8142      -157.6 
1 1 1 33 29 8  o 0.5210000      1.200000      202.3261      36.5   
1 1 1 33 29 9  o 2.819000       1.222000      210.2819      168.2  
1 1 1 33 29 10 o 1.146000       1.230000      194.3688      134.7  
1 1 1 33 29 11 o 5.302000       1.178000      170.0054      -55.8  
1 1 1 33 29 12 o 2.474000       1.190000      285.6574      16.5   
1 1 1 33 29 13 o 4.895000       1.226000      312.6068      -71.9  
1 1 1 33 29 14 o 2.869000       1.207000      119.4031      21.2   
1 1 1 33 29 15 o 3.178000       1.206000      195.0681      2.9    
1 1 1 33 29 16 o -1.392000      1.173000      42.27403      40.5   
1 1 1 33 29 17 o -0.4374000     1.287000      113.8046      -40.0  
1 1 1 33 29 18 o 1.008000       1.275000      80.31409      -37.9  
1 1 1 33 29 19 o 3.578000       1.291000      184.7161      129.7  
1 1 1 33 29 20 o 0.6182000E-01  1.414000      155.9209      -86.2  
1 1 1 33 29 21 o -0.1118000     1.364000      79.69472      -27.4  
1 1 1 33 29 22 o -0.1610000     1.346000      51.01445      -124.9 
1 1 1 33 29 23 o 1.450000       1.346000      124.1754      -47.3  
1 1 1 33 29 24 o -1.409000      1.341000      14.26824      80.0   
1 1 1 33 29 25 o -1.008000      1.358000      30.93106      162.9  
1 1 1 33 29 26 o -1.829000      1.297000      ?             ?      
1 1 1 33 29 27 o 1.207000       1.281000      ?             ?      
1 1 1 33 29 28 o 0.7406000      1.393000      ?             ?      
1 1 1 33 29 29 o 3.226000       1.407000      ?             ?      
1 1 1 33 29 30 o -0.6748000     1.268000      ?             ?      
1 1 1 33 29 31 o -0.4324000     1.330000      ?             ?      
1 1 1 33 29 32 o -0.1934000     1.180000      ?             ?      
1 1 1 33 29 33 o -0.3156000     1.115000      ?             ?      
1 1 1 33 29 34 o 1.279000       1.090000      ?             ?      
1 1 1 33 29 35 o 0.9444000      1.280000      ?             ?      
1 1 1 33 29 36 o 1.573000       1.199000      ?             ?      
1 1 1 33 29 37 o 2.131000       1.181000      ?             ?      
1 1 1 33 29 38 o 0.7477000      1.157000      ?             ?      
1 1 1 33 29 39 o 1.084000       1.042000      ?             ?      
1 1 1 33 29 40 o 0.6770000E-01  1.025000      ?             ?      
1 1 1 33 29 41 o 0.2210000      0.9915000     ?             ?      
1 1 1 33 29 42 o -1.384000      1.069000      ?             ?      
1 1 1 33 29 43 o 0.2315000      1.220000      ?             ?      
1 1 1 33 29 44 o 0.2146000      1.236000      ?             ?      
1 1 1 33 29 45 o 0.5020000      1.079000      ?             ?      
1 1 1 33 29 46 o 1.437000       1.039000      ?             ?      
1 1 1 33 29 47 o -1.084000      1.037000      ?             ?      
1 1 1 33 29 48 o -0.7118000     1.135000      ?             ?      
1 1 1 33 29 49 o -0.8663000     1.211000      ?             ?      
1 1 1 33 29 50 o 0.8765000      1.601000      ?             ?      
1 1 1 33 29 51 o 2.372000       1.404000      ?             ?      
1 1 1 33 29 52 o -1.086000      1.317000      ?             ?      
1 1 1 33 30 0  o 1.292000       1.358000      171.7959      90.0   
1 1 1 33 30 1  o 1.267000       1.043000      128.2577      49.7   
1 1 1 33 30 2  o 4.597000       1.232000      300.4424      -89.7  
1 1 1 33 30 3  o 0.5136000      1.148000      157.6089      -124.2 
1 1 1 33 30 4  o -1.515000      1.279000      93.84862      16.3   
1 1 1 33 30 5  o 2.061000       1.247000      27.67947      11.5   
1 1 1 33 30 6  o 2.257000       1.279000      107.3438      3.7    
1 1 1 33 30 7  o 0.8654000      1.307000      105.7016      102.5  
1 1 1 33 30 8  o 1.576000       1.226000      150.7294      -99.0  
1 1 1 33 30 9  o 5.653000       1.292000      239.9866      136.8  
1 1 1 33 30 10 o -1.457000      1.252000      44.23389      173.7  
1 1 1 33 30 11 o 1.015000       1.271000      140.1933      1.8    
1 1 1 33 30 12 o 0.1465000      1.192000      102.9201      7.6    
1 1 1 33 30 13 o 0.7598000      1.209000      222.4136      110.9  
1 1 1 33 30 14 o -1.418000      1.205000      99.63615      82.2   
1 1 1 33 30 15 o 0.5260000      1.217000      163.9105      52.7   
1 1 1 33 30 16 o 1.160000       1.223000      213.2426      -112.4 
1 1 1 33 30 17 o 2.353000       1.299000      115.2622      -134.0 
1 1 1 33 30 18 o 1.734000       1.294000      173.2163      -49.0  
1 1 1 33 30 19 o 2.629000       1.310000      57.86104      147.0  
1 1 1 33 30 20 o 1.239000       1.416000      199.1461      127.7  
1 1 1 33 30 21 o -0.5884000     1.370000      105.2491      -51.6  
1 1 1 33 30 22 o 0.3287000      1.360000      27.79677      -101.3 
1 1 1 33 30 23 o 4.741000       1.394000      240.1550      -93.1  
1 1 1 33 30 24 o 2.631000       1.370000      63.67162      -38.8  
1 1 1 33 30 25 o 2.639000       1.368000      ?             ?      
1 1 1 33 30 26 o 0.1814000      1.321000      ?             ?      
1 1 1 33 30 27 o 1.778000       1.509000      ?             ?      
1 1 1 33 30 28 o 2.235000       1.436000      ?             ?      
1 1 1 33 30 29 o 2.016000       1.266000      ?             ?      
1 1 1 33 30 30 o 0.6299000      1.261000      ?             ?      
1 1 1 33 30 31 o -2.048000      1.665000      ?             ?      
1 1 1 33 30 32 o -1.757000      1.594000      ?             ?      
1 1 1 33 30 33 o 2.039000       1.286000      ?             ?      
1 1 1 33 30 34 o 0.8342000      1.064000      ?             ?      
1 1 1 33 30 35 o -0.4616000     1.237000      ?             ?      
1 1 1 33 30 36 o 2.593000       1.211000      ?             ?      
1 1 1 33 30 37 o 1.311000       1.192000      ?             ?      
1 1 1 33 30 38 o 0.2578000      1.164000      ?             ?      
1 1 1 33 30 39 o -1.467000      1.001000      ?             ?      
1 1 1 33 30 40 o -0.3396000     0.9904000     ?             ?      
1 1 1 33 30 41 o -0.2813000     1.118000      ?             ?      
1 1 1 33 30 42 f 3.632000       1.082000      ?             ?      
1 1 1 33 30 43 o -1.990000      1.090000      ?             ?      
1 1 1 33 30 44 o 0.4618000      1.014000      ?             ?      
1 1 1 33 30 45 o 0.3774000      1.100000      ?             ?      
1 1 1 33 30 46 o 0.5155000E-01  1.100000      ?             ?      
1 1 1 33 30 47 o 0.8499000      1.135000      ?             ?      
1 1 1 33 30 48 o 1.288000       1.226000      ?             ?      
1 1 1 33 30 49 o -0.5678000E-02 1.245000      ?             ?      
1 1 1 33 30 50 o -0.1854000     1.105000      ?             ?      
1 1 1 33 30 51 o -1.137000      1.331000      ?             ?      
1 1 1 33 30 52 o -0.7103000     2.375000      ?             ?      
1 1 1 33 31 0  o -0.2991000     1.354000      45.55342      90.0   
1 1 1 33 31 1  o 0.3757000      1.054000      137.4425      -49.4  
1 1 1 33 31 2  o -0.5114000E-02 1.209000      55.14019      -18.9  
1 1 1 33 31 3  o 0.1433000      1.136000      111.9289      -119.8 
1 1 1 33 31 4  o 0.5283000      1.314000      177.7769      -93.9  
1 1 1 33 31 5  o -0.4120000     1.270000      83.87287      96.7   
1 1 1 33 31 6  o -2.370000      1.299000      57.67715      -38.4  
1 1 1 33 31 7  o 0.4312000      1.215000      43.26045      145.4  
1 1 1 33 31 8  o 2.759000       1.249000      241.9813      -88.2  
1 1 1 33 31 9  o 4.590000       1.341000      208.4236      -84.9  
1 1 1 33 31 10 o 3.463000       1.319000      186.7303      159.5  
1 1 1 33 31 11 o 2.991000       1.300000      82.25818      -74.5  
1 1 1 33 31 12 o 5.695000       1.335000      243.2231      32.8   
1 1 1 33 31 13 o 2.585000       1.215000      185.2173      -102.0 
1 1 1 33 31 14 o 1.584000       1.220000      140.7794      -157.6 
1 1 1 33 31 15 o 2.426000       1.237000      75.27397      -17.4  
1 1 1 33 31 16 o 0.7605000      1.207000      62.95660      84.8   
1 1 1 33 31 17 o 2.970000       1.320000      258.8974      -50.2  
1 1 1 33 31 18 o 1.272000       1.293000      97.21706      -135.3 
1 1 1 33 31 19 o 3.196000       1.463000      230.0271      68.0   
1 1 1 33 31 20 o 3.859000       1.453000      197.9658      -113.1 
1 1 1 33 31 21 o 0.5397000      1.400000      101.1465      56.4   
1 1 1 33 31 22 o 1.361000       1.391000      191.4620      38.2   
1 1 1 33 31 23 o 2.461000       1.359000      ?             ?      
1 1 1 33 31 24 o 1.725000       1.364000      ?             ?      
1 1 1 33 31 25 o 2.578000       1.339000      ?             ?      
1 1 1 33 31 26 o 2.439000       1.538000      ?             ?      
1 1 1 33 31 27 o 0.8937000      1.510000      ?             ?      
1 1 1 33 31 28 o 3.764000       1.536000      ?             ?      
1 1 1 33 31 29 o 1.877000       1.304000      ?             ?      
1 1 1 33 31 30 o 1.905000       1.294000      ?             ?      
1 1 1 33 31 31 o -0.8035000     1.382000      ?             ?      
1 1 1 33 31 32 o -0.4488000     1.365000      ?             ?      
1 1 1 33 31 33 o -0.7982000E-01 1.199000      ?             ?      
1 1 1 33 31 34 o -0.1908000E-01 1.360000      ?             ?      
1 1 1 33 31 35 o -0.5982000     1.095000      ?             ?      
1 1 1 33 31 36 o 2.264000       1.300000      ?             ?      
1 1 1 33 31 37 o 1.823000       1.211000      ?             ?      
1 1 1 33 31 38 o 0.6167000      1.195000      ?             ?      
1 1 1 33 31 39 o 0.8538000      1.187000      ?             ?      
1 1 1 33 31 40 o -1.297000      1.102000      ?             ?      
1 1 1 33 31 41 o 0.7002000      1.044000      ?             ?      
1 1 1 33 31 42 o -0.7218000     0.9994000     ?             ?      
1 1 1 33 31 43 f -0.6715000E-01 0.9974000     ?             ?      
1 1 1 33 31 44 o 1.198000       1.020000      ?             ?      
1 1 1 33 31 45 o -0.4299000E-01 1.056000      ?             ?      
1 1 1 33 31 46 o 1.453000       1.117000      ?             ?      
1 1 1 33 31 47 o 0.3960000      1.192000      ?             ?      
1 1 1 33 31 48 o -1.515000      1.429000      ?             ?      
1 1 1 33 31 49 o 0.3000000      1.500000      ?             ?      
1 1 1 33 31 50 o 1.031000       1.708000      ?             ?      
1 1 1 33 31 51 o 0.5641000      1.306000      ?             ?      
1 1 1 33 32 0  o 8.670000       1.720000      409.9013      90.0   
1 1 1 33 32 1  o 2.187000       1.096000      192.8887      19.8   
1 1 1 33 32 2  o 2.351000       1.114000      106.5994      -6.7   
1 1 1 33 32 3  o 1.305000       1.261000      115.1855      59.1   
1 1 1 33 32 4  o 0.3748000      1.299000      126.1920      156.0  
1 1 1 33 32 5  o 0.5722000      1.306000      137.2258      -98.4  
1 1 1 33 32 6  o 5.150000       1.378000      184.7970      70.8   
1 1 1 33 32 7  o 8.434000       1.312000      342.3056      32.9   
1 1 1 33 32 8  o 0.2825000E-01  1.284000      58.06804      -133.4 
1 1 1 33 32 9  o 0.2568000      1.291000      126.7090      56.3   
1 1 1 33 32 10 o 3.677000       1.317000      238.7826      -35.5  
1 1 1 33 32 11 o 0.2145000      1.306000      72.14193      -40.9  
1 1 1 33 32 12 o -1.062000      1.298000      59.60691      100.1  
1 1 1 33 32 13 o -0.1391000     1.319000      124.3415      87.4   
1 1 1 33 32 14 o 0.6061000      1.222000      189.8869      -9.7   
1 1 1 33 32 15 o 4.160000       1.227000      245.3680      35.5   
1 1 1 33 32 16 o 0.9145000      1.194000      106.2323      -168.1 
1 1 1 33 32 17 o 0.3744000      1.308000      105.0069      -133.0 
1 1 1 33 32 18 o 1.054000       1.316000      98.17025      -37.6  
1 1 1 33 32 19 o 1.352000       1.458000      71.59445      -145.6 
1 1 1 33 32 20 o 4.737000       1.442000      152.0464      144.4  
1 1 1 33 32 21 o 4.076000       1.450000      ?             ?      
1 1 1 33 32 22 o 1.219000       1.435000      ?             ?      
1 1 1 33 32 23 o 2.078000       1.379000      ?             ?      
1 1 1 33 32 24 o 3.480000       1.359000      ?             ?      
1 1 1 33 32 25 o -0.8893000     1.318000      ?             ?      
1 1 1 33 32 26 o 0.6007000      1.513000      ?             ?      
1 1 1 33 32 27 o 4.332000       1.211000      ?             ?      
1 1 1 33 32 28 o -0.1365000     1.307000      ?             ?      
1 1 1 33 32 29 o -1.312000      1.310000      ?             ?      
1 1 1 33 32 30 o 2.138000       1.438000      ?             ?      
1 1 1 33 32 31 o -1.203000      1.375000      ?             ?      
1 1 1 33 32 32 o 1.779000       1.213000      ?             ?      
1 1 1 33 32 33 o 0.6165000      1.185000      ?             ?      
1 1 1 33 32 34 o 0.5751000      1.195000      ?             ?      
1 1 1 33 32 35 o 2.631000       1.299000      ?             ?      
1 1 1 33 32 36 o -1.063000      1.240000      ?             ?      
1 1 1 33 32 37 o 0.6962000      1.382000      ?             ?      
1 1 1 33 32 38 o 1.131000       1.371000      ?             ?      
1 1 1 33 32 39 o 2.415000       1.216000      ?             ?      
1 1 1 33 32 40 o 0.5937000      1.169000      ?             ?      
1 1 1 33 32 41 o -0.8720000E-01 0.9864000     ?             ?      
1 1 1 33 32 42 o 0.1442000      0.9928000     ?             ?      
1 1 1 33 32 43 o -1.211000      1.001000      ?             ?      
1 1 1 33 32 44 o 2.334000       1.031000      ?             ?      
1 1 1 33 32 45 o 0.6141000E-01  1.018000      ?             ?      
1 1 1 33 32 46 o 1.220000       1.586000      ?             ?      
1 1 1 33 32 47 o 1.848000       1.648000      ?             ?      
1 1 1 33 32 48 o 0.3612000      2.262000      ?             ?      
1 1 1 33 32 49 o 0.1052000      1.102000      ?             ?      
1 1 1 33 32 50 o -0.2224000E-01 1.363000      ?             ?      
1 1 1 33 33 0  o 1.678000       1.642000      55.95411      90.0   
1 1 1 33 33 1  o 0.8244000      1.096000      136.6108      -153.5 
1 1 1 33 33 2  o 1.256000       1.122000      216.6914      -155.1 
1 1 1 33 33 3  o 2.492000       1.305000      176.1912      -64.2  
1 1 1 33 33 4  o -0.5669000     1.298000      154.3325      -54.8  
1 1 1 33 33 5  o 2.678000       1.329000      166.2001      140.9  
1 1 1 33 33 6  o 4.849000       1.408000      342.7431      97.6   
1 1 1 33 33 7  o 1.668000       1.272000      186.5288      -108.8 
1 1 1 33 33 8  o 1.086000       1.270000      140.7985      -102.7 
1 1 1 33 33 9  o 1.338000       1.293000      136.7028      -55.0  
1 1 1 33 33 10 o 3.647000       1.299000      237.5531      116.4  
1 1 1 33 33 11 o 3.554000       1.303000      199.4988      -16.3  
1 1 1 33 33 12 o 1.397000       1.272000      110.0893      -155.8 
1 1 1 33 33 13 o 1.866000       1.281000      229.1262      -140.2 
1 1 1 33 33 14 o 2.677000       1.302000      150.5591      144.0  
1 1 1 33 33 15 o -1.122000      1.182000      73.51881      178.8  
1 1 1 33 33 16 o -2.162000      1.186000      43.82083      -83.4  
1 1 1 33 33 17 o 1.797000       1.304000      91.65910      3.4    
1 1 1 33 33 18 o 0.8148000      1.312000      209.8604      40.2   
1 1 1 33 33 19 o 1.295000       1.418000      ?             ?      
1 1 1 33 33 20 o 0.5438000      1.415000      ?             ?      
1 1 1 33 33 21 o -0.3132000     1.400000      ?             ?      
1 1 1 33 33 22 o 3.414000       1.450000      ?             ?      
1 1 1 33 33 23 o 0.8751000      1.384000      ?             ?      
1 1 1 33 33 24 o -0.7107000     1.335000      ?             ?      
1 1 1 33 33 25 o 2.469000       1.558000      ?             ?      
1 1 1 33 33 26 o 1.970000       1.109000      ?             ?      
1 1 1 33 33 27 o 0.9198000E-01  1.299000      ?             ?      
1 1 1 33 33 28 o -0.7276000     1.290000      ?             ?      
1 1 1 33 33 29 o 0.8865000      1.274000      ?             ?      
1 1 1 33 33 30 o -0.7626000     1.399000      ?             ?      
1 1 1 33 33 31 o -2.743000      1.378000      ?             ?      
1 1 1 33 33 32 o 0.2346000      1.189000      ?             ?      
1 1 1 33 33 33 o -1.140000      1.176000      ?             ?      
1 1 1 33 33 34 o -0.8837000     1.173000      ?             ?      
1 1 1 33 33 35 o -0.5620000E-01 1.189000      ?             ?      
1 1 1 33 33 36 o -0.5994000     1.245000      ?             ?      
1 1 1 33 33 37 o -2.044000      1.140000      ?             ?      
1 1 1 33 33 38 o -2.670000      1.371000      ?             ?      
1 1 1 33 33 39 o -0.2594000     1.212000      ?             ?      
1 1 1 33 33 40 o 0.7885000      1.319000      ?             ?      
1 1 1 33 33 41 o -1.359000      1.089000      ?             ?      
1 1 1 33 33 42 o 0.1250000      1.039000      ?             ?      
1 1 1 33 33 43 o 1.735000       1.009000      ?             ?      
1 1 1 33 33 44 o -1.549000      1.097000      ?             ?      
1 1 1 33 33 45 o -1.740000      1.258000      ?             ?      
1 1 1 33 33 46 o -1.495000      1.318000      ?             ?      
1 1 1 33 33 47 o -1.922000      1.190000      ?             ?      
1 1 1 33 33 48 o 0.3412000      1.112000      ?             ?      
1 1 1 33 33 49 o 0.6236000      1.636000      ?             ?      
1 1 1 33 34 0  o -2.053000      1.628000      15.54110      -90.0  
1 1 1 33 34 1  o -0.4077000     1.102000      80.06439      -60.4  
1 1 1 33 34 2  o -0.2183000E-02 1.138000      193.8719      99.9   
1 1 1 33 34 3  o -0.4965000     1.311000      29.96813      -136.6 
1 1 1 33 34 4  o 2.733000       1.300000      160.6696      -166.3 
1 1 1 33 34 5  o 1.436000       1.331000      125.7325      119.6  
1 1 1 33 34 6  o 1.053000       1.255000      144.8074      10.4   
1 1 1 33 34 7  o -0.2213000     1.256000      144.5765      -112.9 
1 1 1 33 34 8  o -2.315000      1.246000      108.4908      77.6   
1 1 1 33 34 9  o -0.2887000     1.257000      115.1769      68.1   
1 1 1 33 34 10 o -0.3858000     1.256000      39.13986      -91.3  
1 1 1 33 34 11 o 0.4545000      1.253000      115.2428      -104.1 
1 1 1 33 34 12 o 0.4769000      1.257000      90.09656      40.4   
1 1 1 33 34 13 o -0.5449000     1.249000      66.75379      -79.3  
1 1 1 33 34 14 o 0.2407000      1.237000      113.6776      -30.7  
1 1 1 33 34 15 o -0.4759000     1.271000      37.94324      109.8  
1 1 1 33 34 16 o 2.550000       1.156000      ?             ?      
1 1 1 33 34 17 o -0.2741000     1.256000      ?             ?      
1 1 1 33 34 18 o 2.320000       1.250000      ?             ?      
1 1 1 33 34 19 o -0.1659000     1.383000      ?             ?      
1 1 1 33 34 20 o 0.8179000      1.383000      ?             ?      
1 1 1 33 34 21 o 0.4912000E-01  1.357000      ?             ?      
1 1 1 33 34 22 o 3.227000       1.419000      ?             ?      
1 1 1 33 34 23 o 0.6372000      1.367000      ?             ?      
1 1 1 33 34 24 o 0.4135000      1.552000      ?             ?      
1 1 1 33 34 25 o -1.174000      1.521000      ?             ?      
1 1 1 33 34 26 o -2.083000      1.526000      ?             ?      
1 1 1 33 34 27 o -1.633000      1.282000      ?             ?      
1 1 1 33 34 28 o -0.1071000     1.301000      ?             ?      
1 1 1 33 34 29 o -0.8817000     1.460000      ?             ?      
1 1 1 33 34 30 o 0.6211000      1.410000      ?             ?      
1 1 1 33 34 31 o 1.169000       1.216000      ?             ?      
1 1 1 33 34 32 o 1.203000       1.224000      ?             ?      
1 1 1 33 34 33 o -0.5496000     1.228000      ?             ?      
1 1 1 33 34 34 o -0.2963000     1.173000      ?             ?      
1 1 1 33 34 35 o 0.4292000E-01  1.172000      ?             ?      
1 1 1 33 34 36 o 0.8518000      1.162000      ?             ?      
1 1 1 33 34 37 o -1.686000      1.184000      ?             ?      
1 1 1 33 34 38 o 2.578000       1.282000      ?             ?      
1 1 1 33 34 39 o 2.528000       1.281000      ?             ?      
1 1 1 33 34 40 o -1.848000      1.280000      ?             ?      
1 1 1 33 34 41 o 0.1996000      1.283000      ?             ?      
1 1 1 33 34 42 o 0.3877000      1.100000      ?             ?      
1 1 1 33 34 43 o 0.2640000      1.161000      ?             ?      
1 1 1 33 34 44 o -0.8917000     1.076000      ?             ?      
1 1 1 33 34 45 o -0.9507000     1.055000      ?             ?      
1 1 1 33 34 46 o -0.5179000     1.188000      ?             ?      
1 1 1 33 34 47 o -2.050000      1.235000      ?             ?      
1 1 1 33 34 48 o 0.8713000      1.114000      ?             ?      
1 1 1 33 35 0  o 2.156000       1.638000      248.8342      -90.0  
1 1 1 33 35 1  o 0.2666000      1.152000      42.39761      -25.1  
1 1 1 33 35 2  o 1.248000       1.162000      126.3759      -161.6 
1 1 1 33 35 3  o 2.135000       1.288000      175.9393      -87.7  
1 1 1 33 35 4  o 1.122000       1.294000      99.14812      6.5    
1 1 1 33 35 5  o -1.137000      1.328000      24.51158      133.0  
1 1 1 33 35 6  o -2.571000      1.239000      45.62561      165.1  
1 1 1 33 35 7  o 4.653000       1.269000      232.4712      -58.2  
1 1 1 33 35 8  o 1.072000       1.250000      112.5062      -75.0  
1 1 1 33 35 9  o -1.463000      1.242000      65.79295      -123.6 
1 1 1 33 35 10 o 0.3183000      1.250000      102.1268      -169.6 
1 1 1 33 35 11 o -1.483000      1.247000      37.63829      -93.6  
1 1 1 33 35 12 o -0.3615000E-01 1.238000      62.04670      -140.7 
1 1 1 33 35 13 o -0.2184000     1.228000      ?             ?      
1 1 1 33 35 14 o -1.410000      1.228000      ?             ?      
1 1 1 33 35 15 o 1.880000       1.257000      ?             ?      
1 1 1 33 35 16 o -0.8167000     1.240000      ?             ?      
1 1 1 33 35 17 o 0.4175000      1.234000      ?             ?      
1 1 1 33 35 18 o -0.2234000E-01 1.209000      ?             ?      
1 1 1 33 35 19 o -0.6358000     1.360000      ?             ?      
1 1 1 33 35 20 o -0.4970000     1.365000      ?             ?      
1 1 1 33 35 21 o -0.1201000     1.350000      ?             ?      
1 1 1 33 35 22 o 1.562000       1.373000      ?             ?      
1 1 1 33 35 23 o -0.8371000E-01 1.344000      ?             ?      
1 1 1 33 35 24 o 2.012000       1.573000      ?             ?      
1 1 1 33 35 25 o 0.4811000      1.546000      ?             ?      
1 1 1 33 35 26 o -0.3713000     1.332000      ?             ?      
1 1 1 33 35 27 o -0.4265000E-01 1.352000      ?             ?      
1 1 1 33 35 28 o 2.380000       1.313000      ?             ?      
1 1 1 33 35 29 o 0.9941000      1.457000      ?             ?      
1 1 1 33 35 30 o -0.7057000     1.423000      ?             ?      
1 1 1 33 35 31 o 0.3964000      1.254000      ?             ?      
1 1 1 33 35 32 o -0.6661000     1.204000      ?             ?      
1 1 1 33 35 33 o -0.3827000     1.188000      ?             ?      
1 1 1 33 35 34 o 0.6092000      1.164000      ?             ?      
1 1 1 33 35 35 o -0.3729000     1.158000      ?             ?      
1 1 1 33 35 36 o 0.1951000      1.175000      ?             ?      
1 1 1 33 35 37 o 0.1672000      1.183000      ?             ?      
1 1 1 33 35 38 o -1.143000      1.262000      ?             ?      
1 1 1 33 35 39 o -0.8176000     1.476000      ?             ?      
1 1 1 33 35 40 o -0.6501000     1.336000      ?             ?      
1 1 1 33 35 41 o 2.644000       1.662000      ?             ?      
1 1 1 33 35 42 o -0.8555000     1.223000      ?             ?      
1 1 1 33 35 43 o -0.2499000     1.088000      ?             ?      
1 1 1 33 35 44 o 1.383000       1.124000      ?             ?      
1 1 1 33 35 45 o -0.6191000     1.117000      ?             ?      
1 1 1 33 35 46 o 0.2668000      1.196000      ?             ?      
1 1 1 33 35 47 o -0.1306000     1.744000      ?             ?      
1 1 1 33 36 0  o -0.8005000     1.602000      20.67120      90.0   
1 1 1 33 36 1  o 0.4565000E-01  1.139000      95.91833      -25.2  
1 1 1 33 36 2  o 1.452000       1.136000      41.41891      53.2   
1 1 1 33 36 3  o -0.3419000     1.311000      51.52148      -138.4 
1 1 1 33 36 4  o 1.929000       1.286000      6.719699      36.3   
1 1 1 33 36 5  o 2.809000       1.236000      203.8080      126.5  
1 1 1 33 36 6  o 0.2634000      1.201000      36.89057      -17.1  
1 1 1 33 36 7  o 0.2260000      1.210000      57.49006      39.7   
1 1 1 33 36 8  o 1.307000       1.227000      ?             ?      
1 1 1 33 36 9  o 0.4582000      1.238000      ?             ?      
1 1 1 33 36 10 o 1.834000       1.255000      ?             ?      
1 1 1 33 36 11 o -0.1764000     1.227000      ?             ?      
1 1 1 33 36 12 o 1.538000       1.225000      ?             ?      
1 1 1 33 36 13 o 2.767000       1.225000      ?             ?      
1 1 1 33 36 14 o 0.5279000      1.232000      ?             ?      
1 1 1 33 36 15 o 0.3395000      1.232000      ?             ?      
1 1 1 33 36 16 o -0.1141000     1.217000      ?             ?      
1 1 1 33 36 17 o -3.315000      1.351000      ?             ?      
1 1 1 33 36 18 o -0.5158000     1.194000      ?             ?      
1 1 1 33 36 19 o 4.579000       1.369000      ?             ?      
1 1 1 33 36 20 o -0.1499000     1.361000      ?             ?      
1 1 1 33 36 21 o 1.570000       1.359000      ?             ?      
1 1 1 33 36 22 o -0.2589000E-01 1.355000      ?             ?      
1 1 1 33 36 23 o 1.813000       1.535000      ?             ?      
1 1 1 33 36 24 o 0.1050000      1.502000      ?             ?      
1 1 1 33 36 25 o -0.3071000     1.331000      ?             ?      
1 1 1 33 36 26 o -2.696000      1.322000      ?             ?      
1 1 1 33 36 27 o -3.096000      1.288000      ?             ?      
1 1 1 33 36 28 o 2.629000       1.607000      ?             ?      
1 1 1 33 36 29 o 0.4048000E-01  1.477000      ?             ?      
1 1 1 33 36 30 o -0.1561000     1.244000      ?             ?      
1 1 1 33 36 31 o -0.8851000     1.215000      ?             ?      
1 1 1 33 36 32 o -0.2289000     1.199000      ?             ?      
1 1 1 33 36 33 o -0.6831000     1.194000      ?             ?      
1 1 1 33 36 34 o -0.5013000     1.189000      ?             ?      
1 1 1 33 36 35 o 0.9232000      1.191000      ?             ?      
1 1 1 33 36 36 o 1.783000       1.279000      ?             ?      
1 1 1 33 36 37 o -2.328000      1.301000      ?             ?      
1 1 1 33 36 38 o 0.9997000      1.560000      ?             ?      
1 1 1 33 36 39 o -0.3330000     1.572000      ?             ?      
1 1 1 33 36 40 o 1.685000       1.347000      ?             ?      
1 1 1 33 36 41 o 0.2343000E-02  1.266000      ?             ?      
1 1 1 33 36 42 o -1.395000      1.247000      ?             ?      
1 1 1 33 36 43 o 0.6456000      1.369000      ?             ?      
1 1 1 33 36 44 o -1.000000      1.082000      ?             ?      
1 1 1 33 36 45 o -0.1900000     1.191000      ?             ?      
1 1 1 33 36 46 o 1.087000       1.633000      ?             ?      
1 1 1 33 37 0  o 0.7373000E-01  1.588000      ?             ?      
1 1 1 33 37 1  o 0.1778000      1.180000      ?             ?      
1 1 1 33 37 2  o 1.157000       1.189000      ?             ?      
1 1 1 33 37 3  o 2.705000       1.308000      ?             ?      
1 1 1 33 37 4  o -0.7035000     1.253000      ?             ?      
1 1 1 33 37 5  o -0.4366000     1.154000      ?             ?      
1 1 1 33 37 6  o 0.2066000      1.144000      ?             ?      
1 1 1 33 37 7  o -1.008000      1.150000      ?             ?      
1 1 1 33 37 8  o -0.1947000     1.163000      ?             ?      
1 1 1 33 37 9  o -0.5386000     1.211000      ?             ?      
1 1 1 33 37 10 o 0.2713000      1.195000      ?             ?      
1 1 1 33 37 11 o 1.487000       1.191000      ?             ?      
1 1 1 33 37 12 o 0.9493000      1.198000      ?             ?      
1 1 1 33 37 13 o -0.3392000     1.199000      ?             ?      
1 1 1 33 37 14 o 2.034000       1.219000      ?             ?      
1 1 1 33 37 15 o 0.8561000      1.211000      ?             ?      
1 1 1 33 37 16 o -0.5226000     1.208000      ?             ?      
1 1 1 33 37 17 o 0.5423000      1.211000      ?             ?      
1 1 1 33 37 18 o 0.1175000E-01  1.347000      ?             ?      
1 1 1 33 37 19 o -1.244000      1.348000      ?             ?      
1 1 1 33 37 20 o 0.4440000E-01  1.338000      ?             ?      
1 1 1 33 37 21 o 0.5460000      1.337000      ?             ?      
1 1 1 33 37 22 o 0.7062000      1.557000      ?             ?      
1 1 1 33 37 23 o -1.300000      1.533000      ?             ?      
1 1 1 33 37 24 o -0.2435000     1.536000      ?             ?      
1 1 1 33 37 25 o -0.7816000     1.354000      ?             ?      
1 1 1 33 37 26 o -0.1469000E-01 1.384000      ?             ?      
1 1 1 33 37 27 o -1.560000      1.323000      ?             ?      
1 1 1 33 37 28 o 1.763000       1.530000      ?             ?      
1 1 1 33 37 29 o 4.073000       1.527000      ?             ?      
1 1 1 33 37 30 o 0.6214000      1.252000      ?             ?      
1 1 1 33 37 31 o -0.5278000     1.227000      ?             ?      
1 1 1 33 37 32 o -1.104000      1.204000      ?             ?      
1 1 1 33 37 33 o 0.2936000      1.206000      ?             ?      
1 1 1 33 37 34 o 0.2101000      1.226000      ?             ?      
1 1 1 33 37 35 o 0.5099000      1.243000      ?             ?      
1 1 1 33 37 36 o 1.635000       1.576000      ?             ?      
1 1 1 33 37 37 o -0.4859000     1.274000      ?             ?      
1 1 1 33 37 38 f -0.4765000     1.219000      ?             ?      
1 1 1 33 37 39 o 0.9219000E-02  1.202000      ?             ?      
1 1 1 33 37 40 o 0.1104000      1.203000      ?             ?      
1 1 1 33 37 41 o 0.6650000      1.352000      ?             ?      
1 1 1 33 37 42 o -0.1996000     1.277000      ?             ?      
1 1 1 33 37 43 o 2.316000       1.418000      ?             ?      
1 1 1 33 37 44 o 0.3689000      1.358000      ?             ?      
1 1 1 33 37 45 o 0.6804000      1.401000      ?             ?      
1 1 1 33 38 0  o 0.6149000      1.596000      ?             ?      
1 1 1 33 38 1  o 2.023000       1.162000      ?             ?      
1 1 1 33 38 2  o 0.1136000      1.074000      ?             ?      
1 1 1 33 38 3  o 0.5944000      1.263000      ?             ?      
1 1 1 33 38 4  o 0.5937000      1.225000      ?             ?      
1 1 1 33 38 5  o -0.9037000     1.130000      ?             ?      
1 1 1 33 38 6  o -1.204000      1.120000      ?             ?      
1 1 1 33 38 7  o 1.545000       1.135000      ?             ?      
1 1 1 33 38 8  o -1.647000      1.155000      ?             ?      
1 1 1 33 38 9  o -0.1092000     1.163000      ?             ?      
1 1 1 33 38 10 o -1.797000      1.194000      ?             ?      
1 1 1 33 38 11 o 0.6445000      1.174000      ?             ?      
1 1 1 33 38 12 o 0.1448000      1.187000      ?             ?      
1 1 1 33 38 13 o 0.2342000      1.202000      ?             ?      
1 1 1 33 38 14 o 0.8209000      1.219000      ?             ?      
1 1 1 33 38 15 o 0.5499000      1.197000      ?             ?      
1 1 1 33 38 16 o -0.3409000     1.194000      ?             ?      
1 1 1 33 38 17 o -0.4604000     1.223000      ?             ?      
1 1 1 33 38 18 o 0.3240000      1.334000      ?             ?      
1 1 1 33 38 19 o -0.3905000     1.568000      ?             ?      
1 1 1 33 38 20 o 0.1721000      1.328000      ?             ?      
1 1 1 33 38 21 o 0.9899000      1.327000      ?             ?      
1 1 1 33 38 22 o 0.5699000      1.538000      ?             ?      
1 1 1 33 38 23 o -0.4354000E-01 1.616000      ?             ?      
1 1 1 33 38 24 o -1.148000      1.395000      ?             ?      
1 1 1 33 38 25 o 0.8082000      1.309000      ?             ?      
1 1 1 33 38 26 o -0.5546000     1.334000      ?             ?      
1 1 1 33 38 27 o 0.5169000      1.572000      ?             ?      
1 1 1 33 38 28 o 2.293000       1.557000      ?             ?      
1 1 1 33 38 29 o -0.3784000     1.305000      ?             ?      
1 1 1 33 38 30 o 0.1171000      1.251000      ?             ?      
1 1 1 33 38 31 o 0.3897000      1.276000      ?             ?      
1 1 1 33 38 32 o -0.5571000     1.285000      ?             ?      
1 1 1 33 38 33 o -1.750000      1.261000      ?             ?      
1 1 1 33 38 34 o 0.7005000      1.502000      ?             ?      
1 1 1 33 38 35 o -1.044000      1.231000      ?             ?      
1 1 1 33 38 36 o -0.7474000     1.252000      ?             ?      
1 1 1 33 38 37 o 0.5068000      1.242000      ?             ?      
1 1 1 33 38 38 o 2.633000       1.183000      ?             ?      
1 1 1 33 38 39 o -0.1313000     1.243000      ?             ?      
1 1 1 33 38 40 o -2.326000      1.207000      ?             ?      
1 1 1 33 38 41 o 0.4871000E-01  1.208000      ?             ?      
1 1 1 33 38 42 o 0.9838000      1.375000      ?             ?      
1 1 1 33 38 43 o 0.5147000      1.497000      ?             ?      
1 1 1 33 38 44 o 2.525000       1.850000      ?             ?      
1 1 1 33 39 0  o 1.771000       1.545000      ?             ?      
1 1 1 33 39 1  o 1.380000       1.144000      ?             ?      
1 1 1 33 39 2  o 1.355000       1.046000      ?             ?      
1 1 1 33 39 3  o 0.9241000E-01  1.238000      ?             ?      
1 1 1 33 39 4  o -1.049000      1.092000      ?             ?      
1 1 1 33 39 5  o 1.683000       1.118000      ?             ?      
1 1 1 33 39 6  o 0.8422000      1.105000      ?             ?      
1 1 1 33 39 7  o 0.5084000      1.147000      ?             ?      
1 1 1 33 39 8  o -0.1199000     1.121000      ?             ?      
1 1 1 33 39 9  o 0.1036000E-01  1.142000      ?             ?      
1 1 1 33 39 10 o 2.201000       1.155000      ?             ?      
1 1 1 33 39 11 o -1.033000      1.169000      ?             ?      
1 1 1 33 39 12 o 0.2213000      1.180000      ?             ?      
1 1 1 33 39 13 o 0.5364000      1.179000      ?             ?      
1 1 1 33 39 14 o -1.279000      1.180000      ?             ?      
1 1 1 33 39 15 o -0.3721000     1.193000      ?             ?      
1 1 1 33 39 16 o -1.262000      1.333000      ?             ?      
1 1 1 33 39 17 o 1.396000       1.346000      ?             ?      
1 1 1 33 39 18 o -0.6889000     1.339000      ?             ?      
1 1 1 33 39 19 o 0.5925000      1.549000      ?             ?      
1 1 1 33 39 20 o -0.3144000     1.560000      ?             ?      
1 1 1 33 39 21 o -0.5279000     1.586000      ?             ?      
1 1 1 33 39 22 f -0.3333000     1.588000      ?             ?      
1 1 1 33 39 23 o 1.664000       1.406000      ?             ?      
1 1 1 33 39 24 o 0.8111000      1.315000      ?             ?      
1 1 1 33 39 25 o 1.792000       1.333000      ?             ?      
1 1 1 33 39 26 o 1.657000       1.327000      ?             ?      
1 1 1 33 39 27 o -1.090000      1.547000      ?             ?      
1 1 1 33 39 28 o -2.303000      1.550000      ?             ?      
1 1 1 33 39 29 o 0.1779000      1.369000      ?             ?      
1 1 1 33 39 30 o 1.099000       1.333000      ?             ?      
1 1 1 33 39 31 o 1.068000       1.530000      ?             ?      
1 1 1 33 39 32 o -2.912000      1.518000      ?             ?      
1 1 1 33 39 33 o 0.7224000      1.259000      ?             ?      
1 1 1 33 39 34 o 0.4605000      1.230000      ?             ?      
1 1 1 33 39 35 o -1.790000      1.242000      ?             ?      
1 1 1 33 39 36 o -0.4010000E-01 1.252000      ?             ?      
1 1 1 33 39 37 o 0.8315000E-01  1.239000      ?             ?      
1 1 1 33 39 38 o -1.187000      1.245000      ?             ?      
1 1 1 33 39 39 o 0.9693000      1.263000      ?             ?      
1 1 1 33 39 40 o 0.4690000E-01  1.176000      ?             ?      
1 1 1 33 39 41 o 1.000000       1.403000      ?             ?      
1 1 1 33 39 42 o 1.503000       1.406000      ?             ?      
1 1 1 33 39 43 o -0.8547000     1.710000      ?             ?      
1 1 1 33 40 0  o 0.9122000      1.639000      ?             ?      
1 1 1 33 40 1  o 0.4867000      1.105000      ?             ?      
1 1 1 33 40 2  o -0.9340000     1.023000      ?             ?      
1 1 1 33 40 3  o 0.2605000      1.465000      ?             ?      
1 1 1 33 40 4  o -3.194000      1.055000      ?             ?      
1 1 1 33 40 5  o 0.8261000      1.082000      ?             ?      
1 1 1 33 40 6  o -1.294000      1.098000      ?             ?      
1 1 1 33 40 7  o -0.7999000     1.100000      ?             ?      
1 1 1 33 40 8  o 0.4697000      1.125000      ?             ?      
1 1 1 33 40 9  o 0.3993000      1.141000      ?             ?      
1 1 1 33 40 10 o -1.139000      1.162000      ?             ?      
1 1 1 33 40 11 o -0.3121000     1.167000      ?             ?      
1 1 1 33 40 12 o 1.969000       1.180000      ?             ?      
1 1 1 33 40 13 o -0.8992000     1.316000      ?             ?      
1 1 1 33 40 14 o -0.9332000     1.320000      ?             ?      
1 1 1 33 40 15 o -1.320000      1.178000      ?             ?      
1 1 1 33 40 16 o -0.2756000     1.184000      ?             ?      
1 1 1 33 40 17 o 0.6995000      1.183000      ?             ?      
1 1 1 33 40 18 o 0.2012000      1.350000      ?             ?      
1 1 1 33 40 19 o -0.9240000     1.561000      ?             ?      
1 1 1 33 40 20 o -1.388000      2.039000      ?             ?      
1 1 1 33 40 21 o 2.296000       2.121000      ?             ?      
1 1 1 33 40 22 o 1.635000       1.607000      ?             ?      
1 1 1 33 40 23 o -0.6544000     1.334000      ?             ?      
1 1 1 33 40 24 o -0.4656000E-01 1.321000      ?             ?      
1 1 1 33 40 25 o 0.6347000E-01  1.338000      ?             ?      
1 1 1 33 40 26 o 0.5398000      1.642000      ?             ?      
1 1 1 33 40 27 o -1.771000      1.593000      ?             ?      
1 1 1 33 40 28 o 1.452000       1.603000      ?             ?      
1 1 1 33 40 29 o -0.9381000     1.534000      ?             ?      
1 1 1 33 40 30 o -0.8448000     1.312000      ?             ?      
1 1 1 33 40 31 o 0.2283000      1.294000      ?             ?      
1 1 1 33 40 32 o 0.9540000      1.294000      ?             ?      
1 1 1 33 40 33 o -1.993000      1.291000      ?             ?      
1 1 1 33 40 34 o 0.8945000E-01  1.257000      ?             ?      
1 1 1 33 40 35 o 1.087000       1.246000      ?             ?      
1 1 1 33 40 36 o 1.147000       1.255000      ?             ?      
1 1 1 33 40 37 o -1.261000      1.238000      ?             ?      
1 1 1 33 40 38 o -1.111000      1.236000      ?             ?      
1 1 1 33 40 39 o -0.9824000     1.242000      ?             ?      
1 1 1 33 40 40 o -1.218000      1.258000      ?             ?      
1 1 1 33 40 41 o -1.481000      1.195000      ?             ?      
1 1 1 33 40 42 o 4.121000       4.702000      ?             ?      
1 1 1 33 41 0  o -0.3703000     1.609000      ?             ?      
1 1 1 33 41 1  o 0.4274000      1.012000      ?             ?      
1 1 1 33 41 2  o 0.1897000      1.002000      ?             ?      
1 1 1 33 41 3  o -1.386000      1.015000      ?             ?      
1 1 1 33 41 4  o -1.399000      1.049000      ?             ?      
1 1 1 33 41 5  o -1.028000      1.072000      ?             ?      
1 1 1 33 41 6  o 0.6487000      1.066000      ?             ?      
1 1 1 33 41 7  o 0.7481000      1.094000      ?             ?      
1 1 1 33 41 8  o -0.3641000     1.106000      ?             ?      
1 1 1 33 41 9  o -0.6563000     1.135000      ?             ?      
1 1 1 33 41 10 o 1.521000       1.294000      ?             ?      
1 1 1 33 41 11 o -0.6968000     1.284000      ?             ?      
1 1 1 33 41 12 o -0.5330000     1.175000      ?             ?      
1 1 1 33 41 13 o -0.1552000     1.167000      ?             ?      
1 1 1 33 41 14 f 0.1752000      1.183000      ?             ?      
1 1 1 33 41 15 o 0.1879000      1.179000      ?             ?      
1 1 1 33 41 16 o 0.1894000      1.202000      ?             ?      
1 1 1 33 41 17 o 1.582000       1.166000      ?             ?      
1 1 1 33 41 18 o 1.658000       1.307000      ?             ?      
1 1 1 33 41 19 f 2.584000       1.562000      ?             ?      
1 1 1 33 41 20 o -1.088000      2.078000      ?             ?      
1 1 1 33 41 21 o -1.044000      2.207000      ?             ?      
1 1 1 33 41 22 o -0.5856000     1.594000      ?             ?      
1 1 1 33 41 23 o -0.6490000     1.333000      ?             ?      
1 1 1 33 41 24 o 1.471000       1.397000      ?             ?      
1 1 1 33 41 25 o 2.364000       1.387000      ?             ?      
1 1 1 33 41 26 o -0.6750000     2.065000      ?             ?      
1 1 1 33 41 27 o 1.029000       2.119000      ?             ?      
1 1 1 33 41 28 f 1.999000       1.314000      ?             ?      
1 1 1 33 41 29 o 0.2071000      1.287000      ?             ?      
1 1 1 33 41 30 o 2.540000       1.309000      ?             ?      
1 1 1 33 41 31 o 1.368000       1.309000      ?             ?      
1 1 1 33 41 32 o 0.7152000      1.310000      ?             ?      
1 1 1 33 41 33 o 1.486000       1.283000      ?             ?      
1 1 1 33 41 34 o 1.947000       1.290000      ?             ?      
1 1 1 33 41 35 o -0.8317000     1.269000      ?             ?      
1 1 1 33 41 36 o -1.199000      1.273000      ?             ?      
1 1 1 33 41 37 o 0.5695000      1.265000      ?             ?      
1 1 1 33 41 38 o 1.892000       2.274000      ?             ?      
1 1 1 33 41 39 o 0.5412000      1.252000      ?             ?      
1 1 1 33 41 40 o -0.6001000     1.456000      ?             ?      
1 1 1 33 41 41 < 0.000000       -1.000000     ?             ?      
1 1 1 33 42 0  o 1.667000       1.576000      ?             ?      
1 1 1 33 42 1  o 0.7210000      0.9946000     ?             ?      
1 1 1 33 42 2  o -0.6058000     0.9788000     ?             ?      
1 1 1 33 42 3  o -0.4461000     0.9644000     ?             ?      
1 1 1 33 42 4  o 0.1388000      1.047000      ?             ?      
1 1 1 33 42 5  o -0.8667000     1.054000      ?             ?      
1 1 1 33 42 6  o 1.264000       1.074000      ?             ?      
1 1 1 33 42 7  o 1.753000       1.083000      ?             ?      
1 1 1 33 42 8  o -1.307000      1.232000      ?             ?      
1 1 1 33 42 9  o 0.6991000      1.237000      ?             ?      
1 1 1 33 42 10 o -1.831000      1.122000      ?             ?      
1 1 1 33 42 11 o -0.4205000     1.129000      ?             ?      
1 1 1 33 42 12 o 0.8374000      1.143000      ?             ?      
1 1 1 33 42 13 o 0.8692000      1.178000      ?             ?      
1 1 1 33 42 14 o 1.485000       1.175000      ?             ?      
1 1 1 33 42 15 o -0.6756000     1.143000      ?             ?      
1 1 1 33 42 16 o -1.033000      1.151000      ?             ?      
1 1 1 33 42 17 o 0.8130000      1.170000      ?             ?      
1 1 1 33 42 18 o 0.8876000      1.317000      ?             ?      
1 1 1 33 42 19 o -0.9330000     2.053000      ?             ?      
1 1 1 33 42 20 o -0.5023000     2.134000      ?             ?      
1 1 1 33 42 21 o -1.655000      1.658000      ?             ?      
1 1 1 33 42 22 o -0.9972000     1.636000      ?             ?      
1 1 1 33 42 23 o 0.3361000      1.560000      ?             ?      
1 1 1 33 42 24 o 2.008000       1.531000      ?             ?      
1 1 1 33 42 25 o -0.9973000     1.563000      ?             ?      
1 1 1 33 42 26 o 1.173000       1.563000      ?             ?      
1 1 1 33 42 27 o -0.3129000     1.326000      ?             ?      
1 1 1 33 42 28 o 0.5399000      1.344000      ?             ?      
1 1 1 33 42 29 o 1.407000       1.307000      ?             ?      
1 1 1 33 42 30 o -0.9448000     1.287000      ?             ?      
1 1 1 33 42 31 o 1.159000       1.299000      ?             ?      
1 1 1 33 42 32 o -1.254000      1.303000      ?             ?      
1 1 1 33 42 33 o -1.429000      1.316000      ?             ?      
1 1 1 33 42 34 o -0.8249000     2.409000      ?             ?      
1 1 1 33 42 35 o 1.558000       1.307000      ?             ?      
1 1 1 33 42 36 o -0.6166000     1.281000      ?             ?      
1 1 1 33 42 37 o -0.2883000     1.280000      ?             ?      
1 1 1 33 42 38 o 1.428000       1.277000      ?             ?      
1 1 1 33 42 39 o -0.7184000     1.670000      ?             ?      
1 1 1 33 43 0  o 0.1177000      1.531000      ?             ?      
1 1 1 33 43 1  o -1.009000      0.9935000     ?             ?      
1 1 1 33 43 2  o 0.4733000E-01  0.9651000     ?             ?      
1 1 1 33 43 3  o -0.8489000     0.9496000     ?             ?      
1 1 1 33 43 4  o -0.2468000E-01 1.081000      ?             ?      
1 1 1 33 43 5  o -0.5707000     1.185000      ?             ?      
1 1 1 33 43 6  o -0.8210000     1.195000      ?             ?      
1 1 1 33 43 7  o 0.3485000      1.080000      ?             ?      
1 1 1 33 43 8  o 0.8069000E-01  1.076000      ?             ?      
1 1 1 33 43 9  o -0.3046000     1.106000      ?             ?      
1 1 1 33 43 10 o 0.5923000      1.153000      ?             ?      
1 1 1 33 43 11 o -2.218000      1.158000      ?             ?      
1 1 1 33 43 12 o 0.4286000      1.104000      ?             ?      
1 1 1 33 43 13 o 0.7691000      1.109000      ?             ?      
1 1 1 33 43 14 o -2.058000      1.126000      ?             ?      
1 1 1 33 43 15 o -1.255000      1.125000      ?             ?      
1 1 1 33 43 16 o 0.6108000      1.157000      ?             ?      
1 1 1 33 43 17 o 0.5824000      1.172000      ?             ?      
1 1 1 33 43 18 o -0.7854000E-01 2.109000      ?             ?      
1 1 1 33 43 19 o -3.228000      2.098000      ?             ?      
1 1 1 33 43 20 o -1.232000      2.068000      ?             ?      
1 1 1 33 43 21 o 0.8837000      1.544000      ?             ?      
1 1 1 33 43 22 o 0.9448000      1.513000      ?             ?      
1 1 1 33 43 23 o -0.8851000     1.558000      ?             ?      
1 1 1 33 43 24 o 1.768000       1.545000      ?             ?      
1 1 1 33 43 25 o -0.8139000     1.590000      ?             ?      
1 1 1 33 43 26 o -1.713000      1.539000      ?             ?      
1 1 1 33 43 27 o -0.9386000     1.308000      ?             ?      
1 1 1 33 43 28 o 0.1943000      1.306000      ?             ?      
1 1 1 33 43 29 o -1.993000      1.292000      ?             ?      
1 1 1 33 43 30 o -2.862000      1.316000      ?             ?      
1 1 1 33 43 31 o -0.1335000     1.321000      ?             ?      
1 1 1 33 43 32 f 0.5651000      1.325000      ?             ?      
1 1 1 33 43 33 o 0.2434000      1.309000      ?             ?      
1 1 1 33 43 34 o -1.541000      1.326000      ?             ?      
1 1 1 33 43 35 o 0.4137000      1.317000      ?             ?      
1 1 1 33 43 36 o -0.8820000E-01 1.309000      ?             ?      
1 1 1 33 43 37 o -0.1402000     1.601000      ?             ?      
1 1 1 33 43 38 f 0.4891000      1.949000      ?             ?      
1 1 1 33 44 0  o -0.2454000     1.286000      ?             ?      
1 1 1 33 44 1  o 0.1923000      0.9932000     ?             ?      
1 1 1 33 44 2  o 0.2228000      0.9682000     ?             ?      
1 1 1 33 44 3  o 1.355000       0.9462000     ?             ?      
1 1 1 33 44 4  o -0.2343000     1.199000      ?             ?      
1 1 1 33 44 5  o -0.3501000     1.034000      ?             ?      
1 1 1 33 44 6  o -0.8294000     1.055000      ?             ?      
1 1 1 33 44 7  o 0.2136000      1.112000      ?             ?      
1 1 1 33 44 8  o 1.125000       1.118000      ?             ?      
1 1 1 33 44 9  o 0.6888000      1.096000      ?             ?      
1 1 1 33 44 10 o 0.6726000      1.100000      ?             ?      
1 1 1 33 44 11 o 1.067000       1.115000      ?             ?      
1 1 1 33 44 12 o -1.254000      1.114000      ?             ?      
1 1 1 33 44 13 o -0.5624000     1.114000      ?             ?      
1 1 1 33 44 14 o -0.3593000     1.132000      ?             ?      
1 1 1 33 44 15 o 1.249000       1.152000      ?             ?      
1 1 1 33 44 16 o 0.5249000      1.162000      ?             ?      
1 1 1 33 44 17 o -0.9619000E-01 1.257000      ?             ?      
1 1 1 33 44 18 o 0.6101000      2.052000      ?             ?      
1 1 1 33 44 19 o 0.6692000E-01  2.094000      ?             ?      
1 1 1 33 44 20 o 1.862000       1.527000      ?             ?      
1 1 1 33 44 21 o -3.688000      1.515000      ?             ?      
1 1 1 33 44 22 o -1.782000      1.532000      ?             ?      
1 1 1 33 44 23 o 1.599000       1.561000      ?             ?      
1 1 1 33 44 24 o -0.8831000     2.085000      ?             ?      
1 1 1 33 44 25 o -0.6256000E-01 2.111000      ?             ?      
1 1 1 33 44 26 o 0.3593000E-01  1.578000      ?             ?      
1 1 1 33 44 27 o 2.076000       1.315000      ?             ?      
1 1 1 33 44 28 o 3.429000       1.346000      ?             ?      
1 1 1 33 44 29 o -0.6692000     2.405000      ?             ?      
1 1 1 33 44 30 o 0.5287000      1.330000      ?             ?      
1 1 1 33 44 31 o 0.4171000E-01  1.331000      ?             ?      
1 1 1 33 44 32 o -0.7695000     1.314000      ?             ?      
1 1 1 33 44 33 o -0.4099000     1.330000      ?             ?      
1 1 1 33 44 34 o 0.1932000      1.321000      ?             ?      
1 1 1 33 44 35 o -0.4210000     1.329000      ?             ?      
1 1 1 33 44 36 o 0.9976000      1.644000      ?             ?      
1 1 1 33 45 0  o -1.085000      1.512000      ?             ?      
1 1 1 33 45 1  o -0.6704000     0.9851000     ?             ?      
1 1 1 33 45 2  o -0.2741000     0.9152000     ?             ?      
1 1 1 33 45 3  o -1.097000      0.9508000     ?             ?      
1 1 1 33 45 4  o -0.5143000     1.221000      ?             ?      
1 1 1 33 45 5  o -0.9286000     1.078000      ?             ?      
1 1 1 33 45 6  o -0.2757000     1.045000      ?             ?      
1 1 1 33 45 7  o 0.9426000      1.077000      ?             ?      
1 1 1 33 45 8  o -0.1146000     1.090000      ?             ?      
1 1 1 33 45 9  o -0.6866000     1.099000      ?             ?      
1 1 1 33 45 10 o -0.2075000     1.135000      ?             ?      
1 1 1 33 45 11 o 0.1981000      1.099000      ?             ?      
1 1 1 33 45 12 o 0.1173000      1.106000      ?             ?      
1 1 1 33 45 13 o 0.4560000      1.139000      ?             ?      
1 1 1 33 45 14 o -2.097000      1.152000      ?             ?      
1 1 1 33 45 15 o -0.4910000     1.176000      ?             ?      
1 1 1 33 45 16 o 0.2020000      1.178000      ?             ?      
1 1 1 33 45 17 o 0.6120000      1.582000      ?             ?      
1 1 1 33 45 18 o -1.420000      2.021000      ?             ?      
1 1 1 33 45 19 o -0.6774000     1.553000      ?             ?      
1 1 1 33 45 20 o -2.118000      1.515000      ?             ?      
1 1 1 33 45 21 o 0.7673000      1.516000      ?             ?      
1 1 1 33 45 22 o -1.760000      1.529000      ?             ?      
1 1 1 33 45 23 o 0.3186000      1.541000      ?             ?      
1 1 1 33 45 24 o 0.6043000      2.123000      ?             ?      
1 1 1 33 45 25 o 0.9640000E-01  2.090000      ?             ?      
1 1 1 33 45 26 o 1.039000       1.549000      ?             ?      
1 1 1 33 45 27 o -2.544000      1.543000      ?             ?      
1 1 1 33 45 28 o 0.6593000E-01  1.343000      ?             ?      
1 1 1 33 45 29 o -1.790000      1.334000      ?             ?      
1 1 1 33 45 30 o -0.4242000     1.332000      ?             ?      
1 1 1 33 45 31 o 0.8624000      1.357000      ?             ?      
1 1 1 33 45 32 o -2.435000      1.338000      ?             ?      
1 1 1 33 45 33 o 0.2005000      1.338000      ?             ?      
1 1 1 33 45 34 o -0.3085000     1.631000      ?             ?      
1 1 1 33 46 0  o -2.798000      1.258000      ?             ?      
1 1 1 33 46 1  o -0.9810000     0.9730000     ?             ?      
1 1 1 33 46 2  o -0.5730000     1.034000      ?             ?      
1 1 1 33 46 3  o -1.138000      1.018000      ?             ?      
1 1 1 33 46 4  o -1.611000      1.217000      ?             ?      
1 1 1 33 46 5  o -1.696000      1.088000      ?             ?      
1 1 1 33 46 6  o -0.3506000     1.071000      ?             ?      
1 1 1 33 46 7  o -0.3412000     1.086000      ?             ?      
1 1 1 33 46 8  o -1.454000      1.087000      ?             ?      
1 1 1 33 46 9  o -0.2756000     1.104000      ?             ?      
1 1 1 33 46 10 o 0.1789000      1.112000      ?             ?      
1 1 1 33 46 11 o -0.7263000     1.142000      ?             ?      
1 1 1 33 46 12 o -0.6538000     1.142000      ?             ?      
1 1 1 33 46 13 o 0.5976000      1.125000      ?             ?      
1 1 1 33 46 14 o 0.2793000      1.146000      ?             ?      
1 1 1 33 46 15 o 0.6600000      1.166000      ?             ?      
1 1 1 33 46 16 o -1.066000      1.553000      ?             ?      
1 1 1 33 46 17 o 1.310000       1.607000      ?             ?      
1 1 1 33 46 18 o 2.039000       2.032000      ?             ?      
1 1 1 33 46 19 o 1.358000       1.539000      ?             ?      
1 1 1 33 46 20 o 0.9252000      1.518000      ?             ?      
1 1 1 33 46 21 o 0.4959000      1.534000      ?             ?      
1 1 1 33 46 22 o 1.186000       1.558000      ?             ?      
1 1 1 33 46 23 o -0.4414000     2.081000      ?             ?      
1 1 1 33 46 24 o 2.179000       2.125000      ?             ?      
1 1 1 33 46 25 o -0.6948000     1.600000      ?             ?      
1 1 1 33 46 26 o -1.640000      1.559000      ?             ?      
1 1 1 33 46 27 o 2.840000       1.597000      ?             ?      
1 1 1 33 46 28 o -0.2997000     1.566000      ?             ?      
1 1 1 33 46 29 o -0.3991000     2.515000      ?             ?      
1 1 1 33 46 30 o 1.102000       1.370000      ?             ?      
1 1 1 33 46 31 o -0.2516000     1.354000      ?             ?      
1 1 1 33 46 32 o -0.9032000     1.087000      ?             ?      
1 1 1 33 46 33 o 0.4002000      4.239000      ?             ?      
1 1 1 33 47 0  o -1.851000      1.238000      ?             ?      
1 1 1 33 47 1  o 0.2865000      0.8841000     ?             ?      
1 1 1 33 47 2  o 0.1486000      0.9587000     ?             ?      
1 1 1 33 47 3  o -0.7776000     0.9782000     ?             ?      
1 1 1 33 47 4  o 0.3764000      1.218000      ?             ?      
1 1 1 33 47 5  o 0.2691000E-01  1.175000      ?             ?      
1 1 1 33 47 6  o 0.7341000      1.121000      ?             ?      
1 1 1 33 47 7  o 0.1526000      1.095000      ?             ?      
1 1 1 33 47 8  o 0.3262000      1.100000      ?             ?      
1 1 1 33 47 9  o 0.6525000      1.135000      ?             ?      
1 1 1 33 47 10 o -0.3068000E-01 1.110000      ?             ?      
1 1 1 33 47 11 o 0.8880000      1.124000      ?             ?      
1 1 1 33 47 12 o 0.6258000      1.115000      ?             ?      
1 1 1 33 47 13 o 0.6391000      1.160000      ?             ?      
1 1 1 33 47 14 o -0.2789000     1.159000      ?             ?      
1 1 1 33 47 15 o 0.8489000E-01  1.338000      ?             ?      
1 1 1 33 47 16 o 1.204000       1.578000      ?             ?      
1 1 1 33 47 17 o -3.824000      2.034000      ?             ?      
1 1 1 33 47 18 o -0.2611000     1.326000      ?             ?      
1 1 1 33 47 19 o -1.701000      1.509000      ?             ?      
1 1 1 33 47 20 o -0.5281000     1.540000      ?             ?      
1 1 1 33 47 21 o 0.6894000      1.568000      ?             ?      
1 1 1 33 47 22 o -0.9187000     1.582000      ?             ?      
1 1 1 33 47 23 o 0.1612000      2.060000      ?             ?      
1 1 1 33 47 24 o 0.6485000      2.069000      ?             ?      
1 1 1 33 47 25 o 0.5194000      1.575000      ?             ?      
1 1 1 33 47 26 o -1.620000      1.554000      ?             ?      
1 1 1 33 47 27 o -1.932000      1.559000      ?             ?      
1 1 1 33 47 28 o 1.758000       1.590000      ?             ?      
1 1 1 33 47 29 o -1.675000      1.577000      ?             ?      
1 1 1 33 47 30 f -0.1701000E-01 1.606000      ?             ?      
1 1 1 33 47 31 o 0.2399000      1.639000      ?             ?      
1 1 1 33 48 0  o 0.1122000E-01  1.255000      ?             ?      
1 1 1 33 48 1  o 0.4237000      0.8744000     ?             ?      
1 1 1 33 48 2  o 0.7638000      0.9282000     ?             ?      
1 1 1 33 48 3  o -1.014000      0.9456000     ?             ?      
1 1 1 33 48 4  o -1.428000      1.255000      ?             ?      
1 1 1 33 48 5  o 0.4485000      1.504000      ?             ?      
1 1 1 33 48 6  o 0.4084000      1.231000      ?             ?      
1 1 1 33 48 7  o -1.088000      1.103000      ?             ?      
1 1 1 33 48 8  o 1.288000       1.267000      ?             ?      
1 1 1 33 48 9  o -1.230000      1.136000      ?             ?      
1 1 1 33 48 10 o -0.3884000     1.146000      ?             ?      
1 1 1 33 48 11 o 0.1267000      1.129000      ?             ?      
1 1 1 33 48 12 o -0.7650000E-01 1.149000      ?             ?      
1 1 1 33 48 13 o 1.502000       1.166000      ?             ?      
1 1 1 33 48 14 o -0.2995000     1.181000      ?             ?      
1 1 1 33 48 15 o -1.242000      1.582000      ?             ?      
1 1 1 33 48 16 o -2.648000      1.579000      ?             ?      
1 1 1 33 48 17 o -0.6163000     1.361000      ?             ?      
1 1 1 33 48 18 o 1.688000       1.357000      ?             ?      
1 1 1 33 48 19 o -0.5540000     1.502000      ?             ?      
1 1 1 33 48 20 o -0.8377000     1.525000      ?             ?      
1 1 1 33 48 21 o -2.627000      2.893000      ?             ?      
1 1 1 33 48 22 o -0.2483000E-02 2.104000      ?             ?      
1 1 1 33 48 23 o 2.107000       2.119000      ?             ?      
1 1 1 33 48 24 o 1.694000       2.136000      ?             ?      
1 1 1 33 48 25 f 1.341000       1.570000      ?             ?      
1 1 1 33 48 26 o -0.3826000     2.970000      ?             ?      
1 1 1 33 48 27 o -2.386000      1.564000      ?             ?      
1 1 1 33 48 28 o -0.8318000     1.117000      ?             ?      
1 1 1 33 48 29 o 0.1049000      2.211000      ?             ?      
1 1 1 33 49 0  o -0.3760000E-01 1.368000      ?             ?      
1 1 1 33 49 1  o -0.6741000     0.9117000     ?             ?      
1 1 1 33 49 2  o -0.2075000     0.9782000     ?             ?      
1 1 1 33 49 3  o 1.380000       0.9486000     ?             ?      
1 1 1 33 49 4  o 0.8919000E-01  1.242000      ?             ?      
1 1 1 33 49 5  o -0.1755000     1.248000      ?             ?      
1 1 1 33 49 6  o -0.8048000     1.075000      ?             ?      
1 1 1 33 49 7  o 0.4204000      1.082000      ?             ?      
1 1 1 33 49 8  o -0.9388000E-01 1.263000      ?             ?      
1 1 1 33 49 9  o -0.5316000     1.279000      ?             ?      
1 1 1 33 49 10 o -1.998000      1.295000      ?             ?      
1 1 1 33 49 11 o 0.8961000      1.167000      ?             ?      
1 1 1 33 49 12 o 0.8663000      1.206000      ?             ?      
1 1 1 33 49 13 o -0.3701000     1.208000      ?             ?      
1 1 1 33 49 14 o -1.085000      1.567000      ?             ?      
1 1 1 33 49 15 o 4.324000       3.018000      ?             ?      
1 1 1 33 49 16 o 0.8595000      1.419000      ?             ?      
1 1 1 33 49 17 o 0.4756000E-01  1.331000      ?             ?      
1 1 1 33 49 18 o 0.5722000      1.327000      ?             ?      
1 1 1 33 49 19 o 0.3181000      1.546000      ?             ?      
1 1 1 33 49 20 o 0.1244000      1.566000      ?             ?      
1 1 1 33 49 21 o -1.834000      2.876000      ?             ?      
1 1 1 33 49 22 o 0.5903000      2.102000      ?             ?      
1 1 1 33 49 23 o 0.4886000      2.135000      ?             ?      
1 1 1 33 49 24 o -1.807000      1.555000      ?             ?      
1 1 1 33 49 25 o 0.9659000      1.121000      ?             ?      
1 1 1 33 49 26 o -0.8908000     1.576000      ?             ?      
1 1 1 33 50 0  o 1.746000       1.305000      ?             ?      
1 1 1 33 50 1  o 0.4323000      1.107000      ?             ?      
1 1 1 33 50 2  o -1.632000      1.264000      ?             ?      
1 1 1 33 50 3  o -0.1324000     1.026000      ?             ?      
1 1 1 33 50 4  o 1.168000       1.252000      ?             ?      
1 1 1 33 50 5  o 0.6507000      1.265000      ?             ?      
1 1 1 33 50 6  o -1.114000      1.127000      ?             ?      
1 1 1 33 50 7  o -0.9438000     1.106000      ?             ?      
1 1 1 33 50 8  o -1.356000      1.109000      ?             ?      
1 1 1 33 50 9  o 0.2085000E-01  1.143000      ?             ?      
1 1 1 33 50 10 o -1.452000      2.073000      ?             ?      
1 1 1 33 50 11 o -0.1008000E-01 1.157000      ?             ?      
1 1 1 33 50 12 o 0.1632000      1.324000      ?             ?      
1 1 1 33 50 13 o 0.7218000      1.658000      ?             ?      
1 1 1 33 50 14 o -2.251000      1.577000      ?             ?      
1 1 1 33 50 15 o -0.4759000     1.633000      ?             ?      
1 1 1 33 50 16 o -0.1723000     1.265000      ?             ?      
1 1 1 33 50 17 o -0.6418000     1.373000      ?             ?      
1 1 1 33 50 18 o 0.8340000      1.328000      ?             ?      
1 1 1 33 50 19 o -1.494000      1.541000      ?             ?      
1 1 1 33 50 20 o -0.3462000E-01 1.569000      ?             ?      
1 1 1 33 50 21 o -0.9628000     2.099000      ?             ?      
1 1 1 33 50 22 o 1.384000       2.076000      ?             ?      
1 1 1 33 50 23 o 2.033000       2.131000      ?             ?      
1 1 1 33 50 24 o -1.930000      1.543000      ?             ?      
1 1 1 33 51 0  o -1.691000      1.249000      ?             ?      
1 1 1 33 51 1  o -0.1131000     1.033000      ?             ?      
1 1 1 33 51 2  o -0.2611000     1.013000      ?             ?      
1 1 1 33 51 3  o -0.5073000     0.9813000     ?             ?      
1 1 1 33 51 4  o -0.8099000     1.484000      ?             ?      
1 1 1 33 51 5  o -1.803000      1.917000      ?             ?      
1 1 1 33 51 6  o 0.3292000      1.283000      ?             ?      
1 1 1 33 51 7  o -0.1167000     1.137000      ?             ?      
1 1 1 33 51 8  o -0.4541000     1.148000      ?             ?      
1 1 1 33 51 9  o -0.5364000     1.138000      ?             ?      
1 1 1 33 51 10 o 1.406000       2.079000      ?             ?      
1 1 1 33 51 11 o 1.645000       1.160000      ?             ?      
1 1 1 33 51 12 o -1.007000      1.295000      ?             ?      
1 1 1 33 51 13 o 1.163000       1.549000      ?             ?      
1 1 1 33 51 14 o -1.636000      1.581000      ?             ?      
1 1 1 33 51 15 o -0.7317000     1.438000      ?             ?      
1 1 1 33 51 16 o 1.192000       1.399000      ?             ?      
1 1 1 33 51 17 o -0.5622000     1.626000      ?             ?      
1 1 1 33 51 18 o -0.2951000     1.350000      ?             ?      
1 1 1 33 51 19 o -0.4254000     1.186000      ?             ?      
1 1 1 33 51 20 o -2.861000      2.866000      ?             ?      
1 1 1 33 51 21 o -2.440000      2.158000      ?             ?      
1 1 1 33 52 0  o -1.308000      1.219000      ?             ?      
1 1 1 33 52 1  o 1.048000       0.8871000     ?             ?      
1 1 1 33 52 2  o -1.272000      0.8836000     ?             ?      
1 1 1 33 52 3  o -0.5090000     0.9782000     ?             ?      
1 1 1 33 52 4  o -0.1449000     1.334000      ?             ?      
1 1 1 33 52 5  o -1.169000      1.377000      ?             ?      
1 1 1 33 52 6  o 1.131000       1.191000      ?             ?      
1 1 1 33 52 7  o -1.776000      1.158000      ?             ?      
1 1 1 33 52 8  o -0.4321000     2.416000      ?             ?      
1 1 1 33 52 9  o 1.372000       2.792000      ?             ?      
1 1 1 33 52 10 o 0.6938000      1.308000      ?             ?      
1 1 1 33 52 11 o 0.2741000      1.172000      ?             ?      
1 1 1 33 52 12 o 0.6979000      1.527000      ?             ?      
1 1 1 33 52 13 o -1.394000      1.547000      ?             ?      
1 1 1 33 52 14 o -0.4027000     1.412000      ?             ?      
1 1 1 33 52 15 o 0.5741000      1.528000      ?             ?      
1 1 1 33 52 16 o 0.7854000      1.555000      ?             ?      
1 1 1 33 52 17 o -0.5902000     1.560000      ?             ?      
1 1 1 33 53 0  o -0.7261000     1.209000      ?             ?      
1 1 1 33 53 1  o -0.4474000     0.8908000     ?             ?      
1 1 1 33 53 2  o -0.8258000     0.8921000     ?             ?      
1 1 1 33 53 3  o 1.821000       1.010000      ?             ?      
1 1 1 33 53 4  o -1.671000      1.272000      ?             ?      
1 1 1 33 53 5  o 1.411000       1.338000      ?             ?      
1 1 1 33 53 6  o 1.542000       1.190000      ?             ?      
1 1 1 33 53 7  o 0.2794000      1.159000      ?             ?      
1 1 1 33 53 8  o -0.7866000     1.153000      ?             ?      
1 1 1 33 53 9  o 0.2981000      2.277000      ?             ?      
1 1 1 33 53 10 o -0.4565000     1.492000      ?             ?      
1 1 1 33 53 11 o -0.4927000     2.009000      ?             ?      
1 1 1 33 53 12 o -0.5279000     2.040000      ?             ?      
1 1 1 33 53 13 o 0.1478000      1.269000      ?             ?      
1 1 1 33 54 0  o -1.226000      1.311000      ?             ?      
1 1 1 33 54 1  o -0.9343000     0.9670000     ?             ?      
1 1 1 33 54 2  o -2.704000      1.040000      ?             ?      
1 1 1 33 54 3  o -0.4064000     1.564000      ?             ?      
1 1 1 33 54 4  o 1.094000       1.557000      ?             ?      
1 1 1 33 54 5  o -0.1753000     1.542000      ?             ?      
1 1 1 33 54 6  o 3.316000       2.419000      ?             ?      
1 1 1 33 54 7  < 0.000000       -1.000000     ?             ?      
1 1 1 34 0  0  o 24.22000       5.396000      488.2525      -0.0   
1 1 1 34 0  1  o 21.60000       3.733000      646.7639      90.0   
1 1 1 34 0  2  o -2.539000      3.404000      39.00026      -180.0 
1 1 1 34 0  3  o 6.826000       3.497000      191.5300      -90.0  
1 1 1 34 0  4  o 6.163000       3.131000      47.47985      0.0    
1 1 1 34 0  5  o 3.452000       2.971000      254.0820      90.0   
1 1 1 34 0  6  o 3.962000       3.121000      167.9665      180.0  
1 1 1 34 0  7  o -1.707000      4.845000      38.79921      90.0   
1 1 1 34 0  8  o 5.157000       4.595000      74.53545      0.0    
1 1 1 34 0  9  o -0.8069000     4.363000      635.0271      -90.0  
1 1 1 34 0  10 o 54.13000       6.073000      1097.204      180.0  
1 1 1 34 0  11 o -0.9861000     4.344000      37.58670      90.0   
1 1 1 34 0  12 o 11.23000       2.765000      448.2027      -0.0   
1 1 1 34 0  13 o 3.178000       2.470000      302.0572      90.0   
1 1 1 34 0  14 o 0.3189000      1.888000      88.69882      180.0  
1 1 1 34 0  15 o -0.7461000     1.856000      122.3534      90.0   
1 1 1 34 0  16 o 4.854000       1.739000      98.75928      0.0    
1 1 1 34 0  17 o 0.5243000      1.493000      41.16402      90.0   
1 1 1 34 0  18 o 4.694000       1.547000      176.8431      -0.0   
1 1 1 34 0  19 o 21.20000       1.747000      791.6152      90.0   
1 1 1 34 0  20 o 5.817000       1.539000      210.6905      0.0    
1 1 1 34 0  21 o 0.4130000      1.480000      82.62545      -90.0  
1 1 1 34 0  22 o -1.247000      1.456000      333.6834      180.0  
1 1 1 34 0  23 o 1.148000       1.494000      22.92050      90.0   
1 1 1 34 0  24 o 0.1992000E-01  1.515000      91.06392      0.0    
1 1 1 34 0  25 o 1.572000       1.489000      161.1827      90.0   
1 1 1 34 0  26 o 3.478000       1.538000      271.4981      180.0  
1 1 1 34 0  27 o 10.97000       1.660000      433.8629      90.0   
1 1 1 34 0  28 o 1.465000       1.619000      193.3680      180.0  
1 1 1 34 0  29 o 2.115000       1.636000      24.55630      -90.0  
1 1 1 34 0  30 o 10.97000       1.757000      316.3926      0.0    
1 1 1 34 0  31 o 13.54000       1.820000      473.5493      90.0   
1 1 1 34 0  32 o 5.527000       1.737000      270.8338      0.0    
1 1 1 34 0  33 o 4.305000       1.791000      216.3664      90.0   
1 1 1 34 0  34 o 0.4363000      1.779000      6.371584      0.0    
1 1 1 34 0  35 o 2.187000       1.865000      188.4280      90.0   
1 1 1 34 0  36 o 19.31000       2.412000      716.1511      0.0    
1 1 1 34 0  37 o 0.9877000      2.961000      364.6066      90.0   
1 1 1 34 0  38 o 4.342000       1.851000      525.3235      -0.0   
1 1 1 34 0  39 o 2.281000       1.959000      302.5457      -90.0  
1 1 1 34 0  40 o 1.195000       2.646000      145.0830      0.0    
1 1 1 34 0  41 o -0.2337000     2.194000      ?             ?      
1 1 1 34 0  42 o -1.426000      2.820000      ?             ?      
1 1 1 34 0  43 o -0.8937000     2.215000      ?             ?      
1 1 1 34 0  44 o 3.616000       2.211000      ?             ?      
1 1 1 34 0  45 o 2.009000       1.864000      ?             ?      
1 1 1 34 0  46 o 0.1450000      1.608000      ?             ?      
1 1 1 34 0  47 o -0.2097000     1.559000      ?             ?      
1 1 1 34 0  48 o -0.5033000     1.558000      ?             ?      
1 1 1 34 0  49 o 0.1552000      1.751000      ?             ?      
1 1 1 34 0  50 o -0.1192000     1.601000      ?             ?      
1 1 1 34 0  51 o -1.681000      2.058000      ?             ?      
1 1 1 34 0  52 o -1.426000      1.993000      ?             ?      
1 1 1 34 0  53 o 5.042000       1.652000      ?             ?      
1 1 1 34 0  54 o 0.1114000      1.627000      ?             ?      
1 1 1 34 0  55 o 1.622000       1.657000      ?             ?      
1 1 1 34 0  56 o -0.6008000     1.660000      ?             ?      
1 1 1 34 0  57 o 0.4385000      1.668000      ?             ?      
1 1 1 34 0  58 o -0.7316000     1.676000      ?             ?      
1 1 1 34 0  59 o -3.012000      2.129000      ?             ?      
1 1 1 34 0  60 o 0.1749000      2.213000      ?             ?      
1 1 1 34 0  61 o 2.877000       2.044000      ?             ?      
1 1 1 34 1  0  o 3.395000       3.449000      374.5942      -180.0 
1 1 1 34 1  1  o -3.664000      2.420000      155.8504      83.3   
1 1 1 34 1  2  o 10.59000       2.509000      553.2291      -72.5  
1 1 1 34 1  3  o 2.692000       2.315000      272.2969      36.0   
1 1 1 34 1  4  o 0.8769000      2.180000      202.5298      74.4   
1 1 1 34 1  5  o 1.881000       2.102000      334.2636      -28.2  
1 1 1 34 1  6  o 2.019000       2.161000      183.5480      -172.9 
1 1 1 34 1  7  o 1.741000       4.613000      216.3396      -55.6  
1 1 1 34 1  8  o 1.259000       3.158000      282.6605      -0.7   
1 1 1 34 1  9  o 1.442000       3.075000      140.6902      47.5   
1 1 1 34 1  10 o 1.523000       3.191000      143.0521      -152.3 
1 1 1 34 1  11 o 8.760000       2.699000      247.5913      -139.8 
1 1 1 34 1  12 o 1.718000       2.235000      96.90354      -28.2  
1 1 1 34 1  13 o 9.714000       1.816000      477.6435      8.8    
1 1 1 34 1  14 o 1.679000       1.358000      203.1890      175.4  
1 1 1 34 1  15 o 2.320000       1.277000      204.3518      3.0    
1 1 1 34 1  16 o 2.021000       1.157000      202.7678      8.2    
1 1 1 34 1  17 o 4.033000       1.087000      287.9994      1.9    
1 1 1 34 1  18 o 2.391000       1.073000      237.4098      -113.4 
1 1 1 34 1  19 o 1.226000       1.084000      132.2742      61.7   
1 1 1 34 1  20 o 11.45000       1.132000      502.6990      -98.4  
1 1 1 34 1  21 o 0.7824000      1.048000      191.5257      3.4    
1 1 1 34 1  22 o -1.171000      1.029000      196.0947      -113.3 
1 1 1 34 1  23 o 0.3710000      1.053000      51.60385      166.6  
1 1 1 34 1  24 o 22.45000       1.234000      586.4923      -85.5  
1 1 1 34 1  25 f 5.228000       1.082000      373.1127      153.2  
1 1 1 34 1  26 o 1.321000       1.089000      120.8887      -62.7  
1 1 1 34 1  27 o 1.549000       1.118000      173.1793      -28.5  
1 1 1 34 1  28 o 8.694000       1.193000      452.3799      69.2   
1 1 1 34 1  29 o 0.7661000      1.149000      186.6936      -130.5 
1 1 1 34 1  30 o 4.274000       1.190000      237.9697      134.4  
1 1 1 34 1  31 o 3.660000       1.208000      259.9280      3.8    
1 1 1 34 1  32 o 7.086000       1.270000      368.0420      141.7  
1 1 1 34 1  33 o 1.007000       1.263000      167.5090      144.7  
1 1 1 34 1  34 o 6.032000       1.360000      390.7782      80.7   
1 1 1 34 1  35 o 5.953000       1.424000      437.0008      23.2   
1 1 1 34 1  36 o 1.924000       1.357000      221.4763      139.9  
1 1 1 34 1  37 o 3.364000       1.388000      287.5820      120.3  
1 1 1 34 1  38 o 0.8900000      1.276000      35.93041      -98.8  
1 1 1 34 1  39 o 6.686000       1.382000      426.2655      15.7   
1 1 1 34 1  40 o -0.2242000E-01 1.625000      126.5141      -10.8  
1 1 1 34 1  41 o -1.481000      1.718000      ?             ?      
1 1 1 34 1  42 o 0.9820000      2.064000      ?             ?      
1 1 1 34 1  43 o 5.486000       1.631000      ?             ?      
1 1 1 34 1  44 o 0.2569000      1.608000      ?             ?      
1 1 1 34 1  45 o -0.8928000     1.304000      ?             ?      
1 1 1 34 1  46 o -0.7833000     1.268000      ?             ?      
1 1 1 34 1  47 o -1.273000      1.198000      ?             ?      
1 1 1 34 1  48 o -1.057000      1.129000      ?             ?      
1 1 1 34 1  49 o -1.037000      1.279000      ?             ?      
1 1 1 34 1  50 o -0.8510000     1.130000      ?             ?      
1 1 1 34 1  51 o -1.422000      1.186000      ?             ?      
1 1 1 34 1  52 o -1.796000      1.192000      ?             ?      
1 1 1 34 1  53 o 0.3382000      1.304000      ?             ?      
1 1 1 34 1  54 o -0.3116000E-03 1.309000      ?             ?      
1 1 1 34 1  55 o -0.5626000     1.161000      ?             ?      
1 1 1 34 1  56 o 1.498000       1.194000      ?             ?      
1 1 1 34 1  57 o -1.207000      1.187000      ?             ?      
1 1 1 34 1  58 o 2.724000       1.207000      ?             ?      
1 1 1 34 1  59 f 1.114000       1.736000      ?             ?      
1 1 1 34 1  60 o -2.407000      1.719000      ?             ?      
1 1 1 34 1  61 o -0.3163000     1.525000      ?             ?      
1 1 1 34 2  0  o 13.73000       3.561000      358.8879      -0.0   
1 1 1 34 2  1  o 15.91000       2.546000      624.8906      28.6   
1 1 1 34 2  2  o 5.803000       2.451000      375.1798      -116.2 
1 1 1 34 2  3  o 7.028000       2.297000      367.4849      50.0   
1 1 1 34 2  4  o 1.881000       2.241000      207.0674      34.5   
1 1 1 34 2  5  o 8.625000       2.257000      454.7782      10.6   
1 1 1 34 2  6  o 18.03000       2.886000      510.1092      175.6  
1 1 1 34 2  7  o 3.582000       4.498000      239.7810      -176.1 
1 1 1 34 2  8  o -1.308000      2.795000      148.5432      47.3   
1 1 1 34 2  9  o 5.863000       3.214000      389.4679      -145.5 
1 1 1 34 2  10 o 30.09000       3.597000      771.5426      -174.2 
1 1 1 34 2  11 o 3.506000       2.351000      181.6498      -40.7  
1 1 1 34 2  12 o 4.322000       2.194000      316.1801      63.4   
1 1 1 34 2  13 o 9.875000       2.216000      308.1638      131.4  
1 1 1 34 2  14 o 1.329000       1.502000      261.3861      -141.0 
1 1 1 34 2  15 o -1.025000      1.171000      50.73971      113.8  
1 1 1 34 2  16 o 8.690000       1.216000      382.6988      29.7   
1 1 1 34 2  17 o 6.457000       1.176000      454.7062      84.4   
1 1 1 34 2  18 o 1.535000       1.077000      175.1920      -43.1  
1 1 1 34 2  19 o 7.344000       1.122000      362.0890      71.9   
1 1 1 34 2  20 o 0.3775000E-01  1.071000      159.2873      -141.3 
1 1 1 34 2  21 o -0.9566000     1.048000      111.0766      91.5   
1 1 1 34 2  22 o 8.988000       1.077000      536.0010      174.6  
1 1 1 34 2  23 o 0.1639000      1.029000      103.4817      0.9    
1 1 1 34 2  24 o 7.297000       1.092000      361.3067      4.5    
1 1 1 34 2  25 o 6.663000       1.115000      409.4132      38.5   
1 1 1 34 2  26 o 5.375000       1.111000      283.5271      -111.9 
1 1 1 34 2  27 o 6.485000       1.143000      447.7135      103.6  
1 1 1 34 2  28 o 3.548000       1.148000      301.7635      -173.3 
1 1 1 34 2  29 o 3.202000       1.154000      205.7674      21.0   
1 1 1 34 2  30 o 2.268000       1.161000      192.1575      27.9   
1 1 1 34 2  31 o 1.641000       1.328000      287.7716      168.7  
1 1 1 34 2  32 o 3.546000       1.323000      143.6229      30.5   
1 1 1 34 2  33 o 6.616000       1.302000      387.7917      153.3  
1 1 1 34 2  34 o 4.341000       1.345000      410.5106      106.4  
1 1 1 34 2  35 o 1.249000       1.374000      161.1893      -157.6 
1 1 1 34 2  36 o 0.7524000      1.293000      112.5781      13.6   
1 1 1 34 2  37 o 0.3857000E-01  1.367000      201.6071      127.2  
1 1 1 34 2  38 o 3.501000       1.288000      305.6389      0.6    
1 1 1 34 2  39 o 0.3384000E-01  1.255000      170.1277      169.3  
1 1 1 34 2  40 o 2.118000       1.424000      278.9047      85.3   
1 1 1 34 2  41 o -1.333000      1.954000      ?             ?      
1 1 1 34 2  42 o 4.162000       2.088000      ?             ?      
1 1 1 34 2  43 o 0.7911000      1.506000      ?             ?      
1 1 1 34 2  44 o 2.636000       1.671000      ?             ?      
1 1 1 34 2  45 o 1.139000       1.512000      ?             ?      
1 1 1 34 2  46 o 2.274000       1.499000      ?             ?      
1 1 1 34 2  47 o 0.7126000      1.305000      ?             ?      
1 1 1 34 2  48 o 0.9250000      1.115000      ?             ?      
1 1 1 34 2  49 o 0.9984000      1.118000      ?             ?      
1 1 1 34 2  50 o 0.8476000      1.122000      ?             ?      
1 1 1 34 2  51 o 0.5999000      1.117000      ?             ?      
1 1 1 34 2  52 o 1.194000       1.139000      ?             ?      
1 1 1 34 2  53 o -0.5895000     1.202000      ?             ?      
1 1 1 34 2  54 o 3.269000       1.235000      ?             ?      
1 1 1 34 2  55 o -0.5751000     1.174000      ?             ?      
1 1 1 34 2  56 o -1.379000      1.333000      ?             ?      
1 1 1 34 2  57 o 0.2011000      1.200000      ?             ?      
1 1 1 34 2  58 o -0.2519000     1.216000      ?             ?      
1 1 1 34 2  59 o -0.5316000     1.387000      ?             ?      
1 1 1 34 2  60 o 1.112000       1.622000      ?             ?      
1 1 1 34 2  61 o 0.7763000      2.145000      ?             ?      
1 1 1 34 3  0  o -7.639000      3.271000      63.80114      -180.0 
1 1 1 34 3  1  o 4.742000       2.371000      197.2515      39.4   
1 1 1 34 3  2  o 1.064000       2.282000      207.7766      167.7  
1 1 1 34 3  3  o 0.3762000      2.231000      33.18351      113.0  
1 1 1 34 3  4  o 4.531000       2.315000      399.3461      -133.5 
1 1 1 34 3  5  o 4.156000       2.628000      271.1581      -171.8 
1 1 1 34 3  6  o -1.583000      3.324000      205.5431      123.1  
1 1 1 34 3  7  o -3.086000      4.508000      292.1881      -58.2  
1 1 1 34 3  8  o 0.2301000      2.828000      344.3253      41.6   
1 1 1 34 3  9  o -1.231000      2.719000      232.2875      -61.4  
1 1 1 34 3  10 o 4.255000       2.625000      254.5767      -91.9  
1 1 1 34 3  11 o 2.327000       3.725000      375.8544      -127.2 
1 1 1 34 3  12 o -1.338000      2.048000      212.5247      22.0   
1 1 1 34 3  13 o 9.191000       2.057000      423.2083      86.6   
1 1 1 34 3  14 o 5.329000       1.595000      477.6075      146.7  
1 1 1 34 3  15 o 0.6342000      1.174000      111.3591      37.8   
1 1 1 34 3  16 o 2.426000       1.159000      189.4902      33.8   
1 1 1 34 3  17 o 1.327000       1.171000      179.5888      117.4  
1 1 1 34 3  18 o 3.752000       1.165000      291.6266      -159.0 
1 1 1 34 3  19 o 15.17000       1.202000      566.3513      -27.0  
1 1 1 34 3  20 o 12.47000       1.156000      451.0651      -132.9 
1 1 1 34 3  21 o 3.968000       1.077000      282.3265      -59.1  
1 1 1 34 3  22 o -0.4357000     1.042000      288.5577      166.8  
1 1 1 34 3  23 o 3.315000       1.020000      185.9527      117.3  
1 1 1 34 3  24 o 1.133000       1.040000      202.5747      110.2  
1 1 1 34 3  25 o -1.623000      1.077000      26.99744      60.3   
1 1 1 34 3  26 o 3.328000       1.107000      205.1597      -67.3  
1 1 1 34 3  27 o -0.1726000     1.096000      98.50650      -110.3 
1 1 1 34 3  28 o 4.662000       1.124000      201.3232      120.1  
1 1 1 34 3  29 o 5.651000       1.213000      280.4354      -112.9 
1 1 1 34 3  30 o 0.1629000      1.265000      216.8909      63.2   
1 1 1 34 3  31 o 0.6732000E-01  1.276000      190.1999      -51.0  
1 1 1 34 3  32 o 3.248000       1.278000      230.1479      -153.5 
1 1 1 34 3  33 o 0.8922000      1.199000      181.7870      118.2  
1 1 1 34 3  34 o 4.718000       1.209000      219.4931      9.9    
1 1 1 34 3  35 o 2.912000       1.283000      247.5922      -122.2 
1 1 1 34 3  36 o 1.445000       1.286000      114.6718      40.8   
1 1 1 34 3  37 o 2.971000       1.289000      338.3378      161.8  
1 1 1 34 3  38 o 1.434000       1.264000      163.6735      -28.3  
1 1 1 34 3  39 o 0.1569000      1.422000      225.1917      88.9   
1 1 1 34 3  40 o 0.3108000      1.411000      99.91325      155.4  
1 1 1 34 3  41 o 0.6365000      2.142000      ?             ?      
1 1 1 34 3  42 o -0.1343000E-01 2.087000      ?             ?      
1 1 1 34 3  43 o 1.541000       1.583000      ?             ?      
1 1 1 34 3  44 o 6.385000       1.873000      ?             ?      
1 1 1 34 3  45 o -0.2093000     1.410000      ?             ?      
1 1 1 34 3  46 o 1.397000       1.310000      ?             ?      
1 1 1 34 3  47 o 0.6919000      1.276000      ?             ?      
1 1 1 34 3  48 o 0.1590000      1.117000      ?             ?      
1 1 1 34 3  49 o 0.4715000      1.112000      ?             ?      
1 1 1 34 3  50 o 2.607000       1.134000      ?             ?      
1 1 1 34 3  51 o -0.5774000E-01 1.118000      ?             ?      
1 1 1 34 3  52 o 2.219000       1.131000      ?             ?      
1 1 1 34 3  53 o -0.9318000     1.129000      ?             ?      
1 1 1 34 3  54 o -0.1660000     1.143000      ?             ?      
1 1 1 34 3  55 o 0.7251000      1.154000      ?             ?      
1 1 1 34 3  56 o -2.375000      1.239000      ?             ?      
1 1 1 34 3  57 o -0.2869000     1.199000      ?             ?      
1 1 1 34 3  58 o 0.8731000      1.351000      ?             ?      
1 1 1 34 3  59 o -0.8027000     1.387000      ?             ?      
1 1 1 34 3  60 o 2.466000       2.009000      ?             ?      
1 1 1 34 3  61 o -0.6476000E-01 1.712000      ?             ?      
1 1 1 34 4  0  o 3.583000       3.345000      381.8351      0.0    
1 1 1 34 4  1  o 6.894000       2.379000      202.9185      34.3   
1 1 1 34 4  2  o -3.206000      2.254000      68.53461      -170.7 
1 1 1 34 4  3  o 12.96000       2.719000      470.6940      18.6   
1 1 1 34 4  4  o 14.73000       3.488000      326.7902      -94.6  
1 1 1 34 4  5  o 7.158000       3.027000      402.8663      -51.1  
1 1 1 34 4  6  o 7.784000       3.048000      340.7965      162.1  
1 1 1 34 4  7  o 8.687000       4.602000      440.7245      127.8  
1 1 1 34 4  8  o 0.4940000      2.843000      187.5848      -5.0   
1 1 1 34 4  9  o -1.285000      2.028000      67.72941      -18.3  
1 1 1 34 4  10 o -1.378000      2.021000      223.8716      -88.6  
1 1 1 34 4  11 o 1.525000       1.867000      281.8304      153.4  
1 1 1 34 4  12 o 1.631000       2.031000      360.1014      145.0  
1 1 1 34 4  13 o 2.664000       2.001000      257.0422      -162.0 
1 1 1 34 4  14 o 10.52000       1.576000      598.1279      -134.7 
1 1 1 34 4  15 o 1.054000       1.195000      92.51063      -30.3  
1 1 1 34 4  16 o 0.3441000      1.156000      120.5185      51.7   
1 1 1 34 4  17 o 1.219000       1.142000      132.8971      67.8   
1 1 1 34 4  18 o 0.9995000E-01  1.130000      126.9376      -22.7  
1 1 1 34 4  19 o 2.894000       1.110000      217.0545      57.3   
1 1 1 34 4  20 o 5.192000       1.099000      256.1343      32.8   
1 1 1 34 4  21 o 0.9501000      1.047000      216.0537      -123.1 
1 1 1 34 4  22 o 4.202000       1.045000      310.4786      -174.7 
1 1 1 34 4  23 o 1.534000       1.012000      198.0690      -77.2  
1 1 1 34 4  24 o 4.010000       1.057000      226.7626      58.5   
1 1 1 34 4  25 o 0.8301000      1.074000      98.97877      -128.8 
1 1 1 34 4  26 o 11.35000       1.238000      401.9209      -39.9  
1 1 1 34 4  27 o 2.033000       1.163000      283.0869      81.1   
1 1 1 34 4  28 o 0.7998000      1.155000      105.2122      -126.6 
1 1 1 34 4  29 o 2.919000       1.259000      211.7248      58.3   
1 1 1 34 4  30 o -0.7381000     1.212000      16.46109      -108.7 
1 1 1 34 4  31 f 2.274000       1.196000      219.8038      159.1  
1 1 1 34 4  32 o 0.5856000      1.178000      103.0962      3.4    
1 1 1 34 4  33 o -0.4737000E-01 1.163000      139.3745      69.7   
1 1 1 34 4  34 o -0.2088000     1.166000      96.11831      -9.6   
1 1 1 34 4  35 o 6.182000       1.286000      305.9705      158.3  
1 1 1 34 4  36 o 0.8423000      1.269000      132.0679      -64.9  
1 1 1 34 4  37 o 2.086000       1.271000      180.5327      108.5  
1 1 1 34 4  38 o 2.223000       1.274000      322.8177      -47.3  
1 1 1 34 4  39 o 3.944000       1.658000      229.5220      132.5  
1 1 1 34 4  40 o 1.631000       1.637000      138.3897      163.2  
1 1 1 34 4  41 o 1.676000       2.040000      ?             ?      
1 1 1 34 4  42 o 1.349000       2.116000      ?             ?      
1 1 1 34 4  43 o 0.7185000E-02  1.575000      ?             ?      
1 1 1 34 4  44 o -0.9622000     1.261000      ?             ?      
1 1 1 34 4  45 o -0.2761000     1.331000      ?             ?      
1 1 1 34 4  46 o 0.3583000      1.403000      ?             ?      
1 1 1 34 4  47 o -0.7352000     1.256000      ?             ?      
1 1 1 34 4  48 o -0.5916000     1.125000      ?             ?      
1 1 1 34 4  49 f -0.3532000     1.169000      ?             ?      
1 1 1 34 4  50 o -0.2938000     1.108000      ?             ?      
1 1 1 34 4  51 o -1.614000      1.123000      ?             ?      
1 1 1 34 4  52 o -0.3349000E-01 1.125000      ?             ?      
1 1 1 34 4  53 o -1.909000      1.108000      ?             ?      
1 1 1 34 4  54 o -0.4663000     1.147000      ?             ?      
1 1 1 34 4  55 o 0.7467000      1.153000      ?             ?      
1 1 1 34 4  56 o 0.4771000      1.178000      ?             ?      
1 1 1 34 4  57 o 0.3039000      1.196000      ?             ?      
1 1 1 34 4  58 o -2.724000      1.851000      ?             ?      
1 1 1 34 4  59 o -0.7000000     1.445000      ?             ?      
1 1 1 34 4  60 o -0.9968000     1.748000      ?             ?      
1 1 1 34 4  61 o -0.2641000     1.805000      ?             ?      
1 1 1 34 5  0  o 5.584000       3.354000      480.2536      -180.0 
1 1 1 34 5  1  o 6.903000       2.643000      290.3572      87.2   
1 1 1 34 5  2  o 0.6640000      2.601000      139.7344      -148.6 
1 1 1 34 5  3  o 6.097000       2.369000      181.9739      -18.6  
1 1 1 34 5  4  o 8.291000       2.924000      277.7751      142.8  
1 1 1 34 5  5  o 1.127000       2.889000      178.6522      -130.9 
1 1 1 34 5  6  o -0.9518000     3.363000      133.9210      12.0   
1 1 1 34 5  7  o 0.4384000      4.753000      132.2980      87.0   
1 1 1 34 5  8  o 0.3961000      2.086000      199.0424      57.2   
1 1 1 34 5  9  o 4.859000       2.081000      381.1458      -8.3   
1 1 1 34 5  10 o 0.8841000      1.956000      341.7881      -151.9 
1 1 1 34 5  11 o -1.161000      1.576000      94.69670      151.5  
1 1 1 34 5  12 o 2.196000       1.732000      387.4884      -19.7  
1 1 1 34 5  13 o 0.1560000      1.442000      162.0893      0.2    
1 1 1 34 5  14 o 0.6075000      1.444000      127.7884      -70.7  
1 1 1 34 5  15 o 2.102000       1.273000      235.4199      5.6    
1 1 1 34 5  16 o 8.703000       1.220000      397.2146      137.5  
1 1 1 34 5  17 o 2.182000       1.147000      215.4887      -102.1 
1 1 1 34 5  18 o 1.375000       1.151000      44.42246      -172.7 
1 1 1 34 5  19 o -1.162000      1.123000      250.9546      -12.3  
1 1 1 34 5  20 o -1.373000      1.051000      103.8513      -125.4 
1 1 1 34 5  21 o -0.3394000     1.029000      212.2204      -68.3  
1 1 1 34 5  22 o 2.746000       1.020000      225.8995      -149.1 
1 1 1 34 5  23 o -0.6510000     1.016000      89.87682      174.3  
1 1 1 34 5  24 o -0.4207000     1.095000      114.2268      97.1   
1 1 1 34 5  25 o 2.815000       1.195000      229.5152      56.5   
1 1 1 34 5  26 o 1.933000       1.182000      130.6573      67.8   
1 1 1 34 5  27 o 2.978000       1.176000      228.5472      94.0   
1 1 1 34 5  28 o 1.275000       1.091000      72.92548      149.1  
1 1 1 34 5  29 o 4.976000       1.109000      307.5753      -96.3  
1 1 1 34 5  30 o -1.203000      1.126000      105.8775      9.5    
1 1 1 34 5  31 o -0.6927000E-01 1.160000      60.48839      116.0  
1 1 1 34 5  32 o -1.417000      1.166000      36.80842      115.7  
1 1 1 34 5  33 o 4.167000       1.174000      266.0583      32.7   
1 1 1 34 5  34 o 3.932000       1.186000      272.8735      -76.9  
1 1 1 34 5  35 o -0.8614000     1.188000      123.8879      -34.5  
1 1 1 34 5  36 o 0.1249000      1.261000      92.17483      14.8   
1 1 1 34 5  37 o 2.397000       1.330000      108.7568      149.8  
1 1 1 34 5  38 o 0.6912000E-01  1.274000      105.1747      -38.0  
1 1 1 34 5  39 o -0.4497000     1.575000      142.3140      66.3   
1 1 1 34 5  40 o -0.3486000E-01 2.228000      146.8183      6.7    
1 1 1 34 5  41 o -1.069000      1.377000      ?             ?      
1 1 1 34 5  42 o 2.100000       1.455000      ?             ?      
1 1 1 34 5  43 o 2.229000       1.434000      ?             ?      
1 1 1 34 5  44 o -1.081000      1.248000      ?             ?      
1 1 1 34 5  45 o -1.171000      1.328000      ?             ?      
1 1 1 34 5  46 o -1.101000      1.195000      ?             ?      
1 1 1 34 5  47 o 0.6610000      1.206000      ?             ?      
1 1 1 34 5  48 o 0.7610000      1.240000      ?             ?      
1 1 1 34 5  49 o -0.7281000     1.165000      ?             ?      
1 1 1 34 5  50 o -1.929000      1.094000      ?             ?      
1 1 1 34 5  51 o 0.5400000      1.197000      ?             ?      
1 1 1 34 5  52 o 0.9790000      1.195000      ?             ?      
1 1 1 34 5  53 o -1.287000      1.130000      ?             ?      
1 1 1 34 5  54 o -0.1684000     1.152000      ?             ?      
1 1 1 34 5  55 o 0.3954000      1.162000      ?             ?      
1 1 1 34 5  56 o 1.659000       1.179000      ?             ?      
1 1 1 34 5  57 o 1.503000       1.213000      ?             ?      
1 1 1 34 5  58 o 0.2954000      1.357000      ?             ?      
1 1 1 34 5  59 o -0.7780000     1.390000      ?             ?      
1 1 1 34 5  60 o 0.9105000      1.510000      ?             ?      
1 1 1 34 5  61 o -1.708000      2.821000      ?             ?      
1 1 1 34 6  0  o -4.391000      3.996000      126.0978      -0.0   
1 1 1 34 6  1  o -3.209000      2.874000      94.42161      11.0   
1 1 1 34 6  2  o 1.623000       2.292000      332.3676      39.1   
1 1 1 34 6  3  o 1.589000       2.293000      146.1251      41.2   
1 1 1 34 6  4  o 5.802000       2.411000      175.4014      -79.9  
1 1 1 34 6  5  o -0.7404000     2.877000      63.90480      -34.4  
1 1 1 34 6  6  o -1.198000      3.408000      330.6888      132.0  
1 1 1 34 6  7  o 5.662000       2.898000      298.6746      120.2  
1 1 1 34 6  8  o 2.639000       2.084000      266.7036      -65.8  
1 1 1 34 6  9  o -3.733000      1.942000      35.34413      -118.8 
1 1 1 34 6  10 o 3.414000       1.934000      306.6057      136.3  
1 1 1 34 6  11 o 1.823000       1.570000      244.0088      93.4   
1 1 1 34 6  12 o 1.855000       1.430000      158.3896      75.3   
1 1 1 34 6  13 o -1.967000      1.465000      33.94933      166.9  
1 1 1 34 6  14 o 0.5233000      1.374000      211.5167      -93.7  
1 1 1 34 6  15 o 0.6657000      1.291000      182.6882      -68.4  
1 1 1 34 6  16 o -1.737000      1.189000      114.9246      -38.4  
1 1 1 34 6  17 o 0.7127000      1.147000      182.5887      -83.9  
1 1 1 34 6  18 o 0.7983000      1.155000      231.7187      54.1   
1 1 1 34 6  19 o -1.601000      1.165000      82.82520      -78.9  
1 1 1 34 6  20 o 1.001000       1.107000      260.5916      -6.0   
1 1 1 34 6  21 o -2.207000      1.068000      68.38589      -108.3 
1 1 1 34 6  22 o 1.192000       1.050000      59.74531      162.4  
1 1 1 34 6  23 o 1.473000       1.088000      230.4516      -104.7 
1 1 1 34 6  24 o -0.9422000     1.168000      150.7562      -171.0 
1 1 1 34 6  25 o -0.1533000     1.114000      141.7901      172.4  
1 1 1 34 6  26 o -0.5899000     1.059000      111.6220      61.6   
1 1 1 34 6  27 o 0.2854000      1.060000      49.28675      140.1  
1 1 1 34 6  28 o 1.442000       1.064000      112.4603      -82.8  
1 1 1 34 6  29 o 0.7113000      1.086000      41.04325      152.4  
1 1 1 34 6  30 o 0.4034000      1.103000      59.72210      -151.0 
1 1 1 34 6  31 o 2.062000       1.154000      149.7224      103.9  
1 1 1 34 6  32 o 0.9341000      1.177000      203.8843      0.3    
1 1 1 34 6  33 o 1.568000       1.172000      160.7603      31.0   
1 1 1 34 6  34 o 0.2273000      1.232000      112.5169      72.7   
1 1 1 34 6  35 o 1.344000       1.263000      218.5827      165.1  
1 1 1 34 6  36 o -0.7893000E-01 1.208000      93.64964      91.0   
1 1 1 34 6  37 o -0.2485000E-01 1.460000      133.8410      15.5   
1 1 1 34 6  38 o 0.1357000      1.366000      61.42313      -164.9 
1 1 1 34 6  39 o -0.4694000     1.408000      170.1131      84.0   
1 1 1 34 6  40 f 0.5905000      1.378000      ?             ?      
1 1 1 34 6  41 o 2.020000       1.425000      ?             ?      
1 1 1 34 6  42 o 0.4456000      1.429000      ?             ?      
1 1 1 34 6  43 o -1.256000      1.347000      ?             ?      
1 1 1 34 6  44 f -0.6330000     1.393000      ?             ?      
1 1 1 34 6  45 o 0.2155000      1.209000      ?             ?      
1 1 1 34 6  46 o 1.498000       1.197000      ?             ?      
1 1 1 34 6  47 o -0.3538000E-01 1.260000      ?             ?      
1 1 1 34 6  48 o 1.778000       1.194000      ?             ?      
1 1 1 34 6  49 o 1.507000       1.116000      ?             ?      
1 1 1 34 6  50 o -0.5142000     1.111000      ?             ?      
1 1 1 34 6  51 o 1.094000       1.210000      ?             ?      
1 1 1 34 6  52 o 2.216000       1.145000      ?             ?      
1 1 1 34 6  53 o -0.5099000     1.196000      ?             ?      
1 1 1 34 6  54 o 0.2303000      1.214000      ?             ?      
1 1 1 34 6  55 o -0.9775000     1.158000      ?             ?      
1 1 1 34 6  56 o -0.4565000     1.178000      ?             ?      
1 1 1 34 6  57 o 0.8649000      1.332000      ?             ?      
1 1 1 34 6  58 o 1.143000       1.700000      ?             ?      
1 1 1 34 6  59 o 2.539000       2.161000      ?             ?      
1 1 1 34 6  60 o -0.9408000     1.322000      ?             ?      
1 1 1 34 7  0  o 0.9924000      3.270000      111.8918      -180.0 
1 1 1 34 7  1  o 0.1828000      2.013000      207.1182      97.7   
1 1 1 34 7  2  o 1.335000       2.043000      138.2759      167.6  
1 1 1 34 7  3  o 3.006000       2.110000      456.6232      98.5   
1 1 1 34 7  4  o 0.8840000      2.078000      206.9007      -120.9 
1 1 1 34 7  5  o -3.319000      2.086000      125.4349      -173.7 
1 1 1 34 7  6  o 1.743000       2.107000      120.3087      113.2  
1 1 1 34 7  7  o -2.484000      2.180000      204.4864      -36.3  
1 1 1 34 7  8  o -2.424000      2.014000      38.55696      -32.3  
1 1 1 34 7  9  o 1.547000       1.889000      214.9800      -42.7  
1 1 1 34 7  10 o 1.374000       1.692000      125.5745      157.5  
1 1 1 34 7  11 o -0.8844000     1.527000      157.8101      107.4  
1 1 1 34 7  12 o -0.8869000     1.290000      214.7345      -40.7  
1 1 1 34 7  13 o 0.5240000E-01  1.276000      207.6470      -9.6   
1 1 1 34 7  14 o 0.5652000      1.380000      202.7667      -74.2  
1 1 1 34 7  15 o 2.429000       1.257000      295.9424      56.0   
1 1 1 34 7  16 o 1.920000       1.265000      74.47178      -92.7  
1 1 1 34 7  17 o 2.733000       1.170000      201.5371      -51.5  
1 1 1 34 7  18 o -0.3081000     1.159000      120.4834      -104.6 
1 1 1 34 7  19 o 0.5203000      1.177000      308.4081      40.6   
1 1 1 34 7  20 o -0.9913000     1.145000      108.3811      33.6   
1 1 1 34 7  21 o 1.230000       1.061000      40.21315      -163.3 
1 1 1 34 7  22 o 1.028000       1.067000      117.2961      -141.9 
1 1 1 34 7  23 o -0.2454000     1.029000      36.57895      -0.3   
1 1 1 34 7  24 o -2.016000      1.017000      101.4217      -28.3  
1 1 1 34 7  25 o 1.623000       1.044000      131.7168      109.6  
1 1 1 34 7  26 o 1.554000       1.057000      155.3425      -4.3   
1 1 1 34 7  27 o 0.2908000      1.050000      133.5748      84.9   
1 1 1 34 7  28 o -1.114000      1.054000      61.47983      -76.2  
1 1 1 34 7  29 o 0.1736000      1.075000      166.5559      -74.6  
1 1 1 34 7  30 o 0.1485000      1.081000      69.04416      -88.8  
1 1 1 34 7  31 o -0.5602000     1.138000      169.5706      120.0  
1 1 1 34 7  32 o 0.3142000      1.224000      154.9868      144.1  
1 1 1 34 7  33 o -0.4178000     1.156000      78.99995      63.0   
1 1 1 34 7  34 o 0.7910000      1.419000      129.9502      -110.6 
1 1 1 34 7  35 o -1.059000      1.428000      67.32041      18.3   
1 1 1 34 7  36 o 0.6077000      1.188000      56.88779      -45.2  
1 1 1 34 7  37 o 0.2580000      1.186000      109.9121      -148.3 
1 1 1 34 7  38 o 2.250000       1.371000      124.1545      52.9   
1 1 1 34 7  39 o 0.9597000      1.406000      66.58203      -46.1  
1 1 1 34 7  40 o 1.680000       1.361000      ?             ?      
1 1 1 34 7  41 o 0.4371000      1.316000      ?             ?      
1 1 1 34 7  42 o -0.6999000     1.233000      ?             ?      
1 1 1 34 7  43 o 0.2847000      1.339000      ?             ?      
1 1 1 34 7  44 o -1.032000      1.401000      ?             ?      
1 1 1 34 7  45 o 1.444000       1.227000      ?             ?      
1 1 1 34 7  46 o -1.014000      1.312000      ?             ?      
1 1 1 34 7  47 o 0.1189000      1.183000      ?             ?      
1 1 1 34 7  48 o 0.5038000      1.189000      ?             ?      
1 1 1 34 7  49 o -1.088000      1.172000      ?             ?      
1 1 1 34 7  50 o 1.167000       1.103000      ?             ?      
1 1 1 34 7  51 o 0.4642000      1.113000      ?             ?      
1 1 1 34 7  52 o 0.3455000      1.122000      ?             ?      
1 1 1 34 7  53 o -0.5544000     1.198000      ?             ?      
1 1 1 34 7  54 o 1.781000       1.235000      ?             ?      
1 1 1 34 7  55 o 0.7350000      1.147000      ?             ?      
1 1 1 34 7  56 o 0.9535000      1.229000      ?             ?      
1 1 1 34 7  57 o 0.1498000      1.302000      ?             ?      
1 1 1 34 7  58 o -0.9723000     1.356000      ?             ?      
1 1 1 34 7  59 o 0.7281000      1.445000      ?             ?      
1 1 1 34 7  60 o -1.174000      1.688000      ?             ?      
1 1 1 34 8  0  o -1.211000      3.129000      63.39341      -180.0 
1 1 1 34 8  1  o 2.352000       1.925000      150.0787      -154.7 
1 1 1 34 8  2  o -0.9963000     1.963000      46.17639      -25.1  
1 1 1 34 8  3  o 0.8049000      2.040000      68.29983      3.8    
1 1 1 34 8  4  o 0.5835000      2.026000      190.2972      -115.2 
1 1 1 34 8  5  o 1.070000       1.671000      180.0251      122.1  
1 1 1 34 8  6  o 0.2307000      1.807000      131.3385      125.8  
1 1 1 34 8  7  o 0.1042000      1.708000      85.06927      36.0   
1 1 1 34 8  8  o -0.5987000     1.927000      145.2825      -8.6   
1 1 1 34 8  9  o -2.194000      1.693000      28.59305      111.8  
1 1 1 34 8  10 o 0.8526000E-01  1.636000      113.7469      136.5  
1 1 1 34 8  11 o -1.995000      1.370000      90.37270      -42.7  
1 1 1 34 8  12 o -2.644000      1.252000      43.86059      61.1   
1 1 1 34 8  13 o -1.991000      1.225000      96.03959      58.0   
1 1 1 34 8  14 o -1.235000      1.323000      70.77627      18.7   
1 1 1 34 8  15 o 2.121000       1.248000      276.6144      -12.0  
1 1 1 34 8  16 o -0.3657000     1.267000      19.55716      172.1  
1 1 1 34 8  17 o 1.820000       1.264000      110.3869      -106.3 
1 1 1 34 8  18 o -0.3883000     1.160000      102.1490      52.8   
1 1 1 34 8  19 o -0.3491000     1.217000      13.89498      -85.8  
1 1 1 34 8  20 o 0.2521000      1.187000      186.3088      171.8  
1 1 1 34 8  21 o -0.1569000     1.060000      35.56875      -76.4  
1 1 1 34 8  22 o 0.5346000      1.014000      78.52500      132.3  
1 1 1 34 8  23 o 1.976000       1.043000      168.6118      -101.8 
1 1 1 34 8  24 o -0.2323000     1.030000      114.5396      148.3  
1 1 1 34 8  25 o -0.4217000     1.040000      81.69057      96.0   
1 1 1 34 8  26 o 1.440000       1.057000      143.1828      -152.3 
1 1 1 34 8  27 o -0.3643000     1.042000      98.69760      36.2   
1 1 1 34 8  28 o -0.9816000     1.058000      33.54256      -76.2  
1 1 1 34 8  29 o -0.8606000     1.122000      30.42685      120.1  
1 1 1 34 8  30 o 0.2773000      1.143000      54.18754      70.0   
1 1 1 34 8  31 o -0.4325000     1.107000      70.69225      -104.8 
1 1 1 34 8  32 o -0.6496000     1.412000      221.5405      -73.2  
1 1 1 34 8  33 o -0.7614000     1.166000      54.47315      169.1  
1 1 1 34 8  34 o 3.073000       1.167000      92.37465      134.6  
1 1 1 34 8  35 o -1.034000      1.165000      52.48766      91.9   
1 1 1 34 8  36 o -2.164000      1.229000      125.5047      48.7   
1 1 1 34 8  37 o 0.7558000      1.172000      93.23866      -82.0  
1 1 1 34 8  38 o -0.6876000     1.373000      63.94909      -175.6 
1 1 1 34 8  39 o 1.898000       1.448000      58.08182      87.1   
1 1 1 34 8  40 o 0.9858000      1.382000      ?             ?      
1 1 1 34 8  41 o -1.018000      1.216000      ?             ?      
1 1 1 34 8  42 o -0.1181000     1.156000      ?             ?      
1 1 1 34 8  43 o 1.053000       1.336000      ?             ?      
1 1 1 34 8  44 o 0.2729000      1.330000      ?             ?      
1 1 1 34 8  45 o 0.5176000      1.216000      ?             ?      
1 1 1 34 8  46 o -0.3557000     1.207000      ?             ?      
1 1 1 34 8  47 o 0.3194000      1.174000      ?             ?      
1 1 1 34 8  48 o 0.4804000      1.239000      ?             ?      
1 1 1 34 8  49 o -0.6793000     1.154000      ?             ?      
1 1 1 34 8  50 o -0.3766000E-01 1.109000      ?             ?      
1 1 1 34 8  51 f 0.8679000      1.113000      ?             ?      
1 1 1 34 8  52 o 0.8105000      1.129000      ?             ?      
1 1 1 34 8  53 o -0.9879000     1.132000      ?             ?      
1 1 1 34 8  54 o -0.4969000     1.145000      ?             ?      
1 1 1 34 8  55 o -3.002000      1.211000      ?             ?      
1 1 1 34 8  56 o 2.056000       1.477000      ?             ?      
1 1 1 34 8  57 o -0.1690000     1.308000      ?             ?      
1 1 1 34 8  58 o -1.923000      1.332000      ?             ?      
1 1 1 34 8  59 o 2.307000       1.348000      ?             ?      
1 1 1 34 8  60 o -0.7711000     1.303000      ?             ?      
1 1 1 34 9  0  o 2.802000       3.155000      204.5611      0.0    
1 1 1 34 9  1  o 1.588000       1.897000      76.20628      56.0   
1 1 1 34 9  2  o -3.847000      1.958000      44.25364      -157.8 
1 1 1 34 9  3  o -0.3252000     1.954000      64.57352      140.1  
1 1 1 34 9  4  o 1.216000       1.617000      165.2751      -98.6  
1 1 1 34 9  5  o -0.7685000     1.545000      55.27088      39.6   
1 1 1 34 9  6  o -2.359000      1.775000      92.87363      174.4  
1 1 1 34 9  7  o 0.3285000      1.687000      102.6384      -1.5   
1 1 1 34 9  8  o 0.2096000      1.483000      50.68522      -19.4  
1 1 1 34 9  9  o -2.926000      1.438000      30.73313      68.6   
1 1 1 34 9  10 o -2.345000      1.434000      97.04223      -148.9 
1 1 1 34 9  11 o -0.5290000     1.331000      105.3045      -90.9  
1 1 1 34 9  12 o -1.320000      1.217000      151.0942      14.6   
1 1 1 34 9  13 o -0.4842000     1.231000      89.30563      14.3   
1 1 1 34 9  14 o -2.306000      1.220000      48.00761      167.7  
1 1 1 34 9  15 o 0.4127000      1.306000      49.06410      -20.0  
1 1 1 34 9  16 o -1.613000      1.200000      48.92861      32.8   
1 1 1 34 9  17 o -0.2486000     1.272000      20.24701      -129.9 
1 1 1 34 9  18 o 0.8430000      1.252000      143.1514      -31.1  
1 1 1 34 9  19 o -0.1963000     1.143000      150.5831      51.8   
1 1 1 34 9  20 o 0.3653000      1.101000      64.13536      -88.6  
1 1 1 34 9  21 o -0.6659000     1.095000      125.3166      -104.1 
1 1 1 34 9  22 o -0.4002000E-01 1.062000      134.8444      4.5    
1 1 1 34 9  23 o 0.5213000      1.032000      45.44781      -101.9 
1 1 1 34 9  24 o 0.3313000      1.045000      71.39696      -46.9  
1 1 1 34 9  25 o 0.5944000      1.040000      80.20599      74.0   
1 1 1 34 9  26 o -0.3737000     1.052000      71.62449      49.9   
1 1 1 34 9  27 o -1.601000      1.096000      5.636309      42.7   
1 1 1 34 9  28 o -1.779000      1.468000      59.97774      -155.5 
1 1 1 34 9  29 o -1.229000      1.324000      41.64026      -108.9 
1 1 1 34 9  30 o 0.8789000      1.348000      38.08508      -174.6 
1 1 1 34 9  31 o -0.7587000E-02 1.097000      34.42647      49.2   
1 1 1 34 9  32 o 1.401000       1.115000      21.82612      104.2  
1 1 1 34 9  33 o 0.6870000      1.147000      77.43933      73.9   
1 1 1 34 9  34 o 0.9099000E-01  1.149000      48.76963      -176.2 
1 1 1 34 9  35 o 0.2420000      1.165000      88.87726      -46.3  
1 1 1 34 9  36 o -0.8337000     1.153000      71.96686      131.6  
1 1 1 34 9  37 o -0.8619000E-01 1.246000      93.72161      -66.9  
1 1 1 34 9  38 o -0.1029000     1.280000      69.05661      -5.9   
1 1 1 34 9  39 o 0.7068000      1.384000      18.23044      38.9   
1 1 1 34 9  40 o 1.474000       1.276000      ?             ?      
1 1 1 34 9  41 o -0.7262000E-01 1.184000      ?             ?      
1 1 1 34 9  42 o -0.5949000     1.125000      ?             ?      
1 1 1 34 9  43 o 1.573000       1.327000      ?             ?      
1 1 1 34 9  44 o 0.7834000      1.305000      ?             ?      
1 1 1 34 9  45 o 3.150000       1.384000      ?             ?      
1 1 1 34 9  46 o -0.7794000     1.195000      ?             ?      
1 1 1 34 9  47 o 1.378000       1.175000      ?             ?      
1 1 1 34 9  48 o -0.4674000     1.165000      ?             ?      
1 1 1 34 9  49 o 0.6278000      1.171000      ?             ?      
1 1 1 34 9  50 o -0.8227000E-01 1.168000      ?             ?      
1 1 1 34 9  51 o 0.1999000E-01  1.125000      ?             ?      
1 1 1 34 9  52 o -0.4870000     1.143000      ?             ?      
1 1 1 34 9  53 o -0.7188000     1.132000      ?             ?      
1 1 1 34 9  54 o -0.2878000     1.131000      ?             ?      
1 1 1 34 9  55 o -0.4490000E-01 1.142000      ?             ?      
1 1 1 34 9  56 o -0.8051000     1.281000      ?             ?      
1 1 1 34 9  57 o -2.117000      1.429000      ?             ?      
1 1 1 34 9  58 o -1.266000      1.397000      ?             ?      
1 1 1 34 9  59 o -1.550000      1.287000      ?             ?      
1 1 1 34 9  60 o -0.1735000     1.290000      ?             ?      
1 1 1 34 10 0  o -3.298000      3.101000      27.38449      180.0  
1 1 1 34 10 1  o -1.999000      1.901000      13.50517      -140.6 
1 1 1 34 10 2  o 0.1916000      2.027000      87.25778      -116.6 
1 1 1 34 10 3  o -1.732000      1.512000      9.833343      -68.1  
1 1 1 34 10 4  o 1.258000       1.540000      64.47247      78.8   
1 1 1 34 10 5  o -0.9882000     1.513000      39.67513      25.6   
1 1 1 34 10 6  o 0.6430000      1.728000      132.8906      65.8   
1 1 1 34 10 7  o -1.168000      1.470000      85.84521      -92.4  
1 1 1 34 10 8  o 0.7715000      1.441000      76.35934      138.8  
1 1 1 34 10 9  o 0.4018000      1.337000      41.33617      -130.4 
1 1 1 34 10 10 o 0.1255000E-01  1.313000      26.98743      -39.3  
1 1 1 34 10 11 o -0.6785000     1.294000      20.94340      -144.1 
1 1 1 34 10 12 o 0.1346000      1.215000      55.39908      68.7   
1 1 1 34 10 13 o -0.1758000     1.301000      27.72972      -160.5 
1 1 1 34 10 14 o -1.171000      1.284000      47.39965      -57.9  
1 1 1 34 10 15 o 0.6719000      1.189000      82.47457      33.3   
1 1 1 34 10 16 o -1.701000      1.217000      42.65004      -166.1 
1 1 1 34 10 17 o 1.805000       1.211000      56.79087      101.8  
1 1 1 34 10 18 o -0.3424000     1.241000      90.94878      100.4  
1 1 1 34 10 19 o -1.586000      1.113000      50.01851      -28.5  
1 1 1 34 10 20 o -1.273000      1.100000      33.73701      -157.8 
1 1 1 34 10 21 o -0.6616000     1.104000      68.83920      -3.8   
1 1 1 34 10 22 o 0.7794000      1.113000      40.04131      33.8   
1 1 1 34 10 23 f 0.8171000      1.039000      109.2863      178.0  
1 1 1 34 10 24 o 0.7394000      1.107000      52.69061      -154.4 
1 1 1 34 10 25 o 1.393000       1.123000      58.94291      80.4   
1 1 1 34 10 26 o -0.9201000     1.082000      64.80735      168.4  
1 1 1 34 10 27 o -0.2299000     1.331000      28.50205      -65.7  
1 1 1 34 10 28 o -1.347000      1.062000      26.83997      -37.1  
1 1 1 34 10 29 o -1.151000      1.068000      47.21950      68.1   
1 1 1 34 10 30 o -0.6433000     1.078000      62.38014      77.3   
1 1 1 34 10 31 o 0.8588000E-01  1.111000      50.22250      -116.0 
1 1 1 34 10 32 o 1.634000       1.126000      51.05603      -80.5  
1 1 1 34 10 33 o -0.6937000     1.129000      62.38865      -141.4 
1 1 1 34 10 34 o -1.533000      1.137000      48.35353      82.7   
1 1 1 34 10 35 o -0.9735000E-01 1.148000      51.00249      -2.1   
1 1 1 34 10 36 o 0.5518000      1.146000      91.02663      -40.9  
1 1 1 34 10 37 o -1.224000      1.259000      36.10043      -80.6  
1 1 1 34 10 38 o 1.208000       1.345000      41.56379      92.5   
1 1 1 34 10 39 o -0.8820000     1.245000      ?             ?      
1 1 1 34 10 40 o 0.9236000E-01  1.211000      ?             ?      
1 1 1 34 10 41 o -0.5297000     1.114000      ?             ?      
1 1 1 34 10 42 o -0.1208000     1.109000      ?             ?      
1 1 1 34 10 43 o 0.1471000      1.132000      ?             ?      
1 1 1 34 10 44 f -1.564000      1.302000      ?             ?      
1 1 1 34 10 45 o -1.841000      1.377000      ?             ?      
1 1 1 34 10 46 o -0.2446000     1.200000      ?             ?      
1 1 1 34 10 47 o -2.056000      1.198000      ?             ?      
1 1 1 34 10 48 o -0.5755000     1.157000      ?             ?      
1 1 1 34 10 49 o -1.999000      1.242000      ?             ?      
1 1 1 34 10 50 o -0.5968000     1.183000      ?             ?      
1 1 1 34 10 51 o -1.296000      1.130000      ?             ?      
1 1 1 34 10 52 o 1.114000       1.139000      ?             ?      
1 1 1 34 10 53 o 0.3914000      1.127000      ?             ?      
1 1 1 34 10 54 o 0.8279000      1.130000      ?             ?      
1 1 1 34 10 55 o 0.8891000      1.151000      ?             ?      
1 1 1 34 10 56 o -1.045000      1.264000      ?             ?      
1 1 1 34 10 57 o 0.1500000      1.312000      ?             ?      
1 1 1 34 10 58 o -1.105000      1.327000      ?             ?      
1 1 1 34 10 59 o -0.2349000     1.278000      ?             ?      
1 1 1 34 10 60 o -1.349000      1.308000      ?             ?      
1 1 1 34 11 0  o 4.811000       3.129000      29.90166      180.0  
1 1 1 34 11 1  o 2.387000       1.885000      74.20979      -163.1 
1 1 1 34 11 2  o -2.540000      1.474000      64.34294      -136.7 
1 1 1 34 11 3  o -0.1177000E-01 1.503000      26.51025      88.1   
1 1 1 34 11 4  o -1.434000      1.486000      103.7833      -30.2  
1 1 1 34 11 5  o -0.2919000     1.515000      40.36193      73.6   
1 1 1 34 11 6  o -1.743000      1.544000      50.09347      -179.9 
1 1 1 34 11 7  o 1.668000       1.472000      94.60235      179.9  
1 1 1 34 11 8  o -1.222000      1.369000      63.63292      -167.8 
1 1 1 34 11 9  o -0.4659000     1.314000      43.31037      -120.3 
1 1 1 34 11 10 o -1.579000      1.334000      72.86979      -64.8  
1 1 1 34 11 11 o -2.446000      1.251000      39.09630      -169.1 
1 1 1 34 11 12 o -1.201000      1.187000      33.53236      64.0   
1 1 1 34 11 13 o -1.966000      1.201000      54.41829      154.8  
1 1 1 34 11 14 o 1.174000       1.220000      92.37508      -98.5  
1 1 1 34 11 15 o 0.2820000      1.183000      19.78904      -140.2 
1 1 1 34 11 16 o 0.5928000      1.190000      46.47118      70.0   
1 1 1 34 11 17 o -2.316000      1.189000      72.39429      74.0   
1 1 1 34 11 18 o 1.923000       1.258000      34.32320      72.7   
1 1 1 34 11 19 o -1.277000      1.202000      53.33754      -174.4 
1 1 1 34 11 20 o -0.3328000     1.101000      28.22199      159.9  
1 1 1 34 11 21 o 0.7969000E-01  1.118000      65.99847      -12.4  
1 1 1 34 11 22 o -0.6320000     1.208000      37.25669      -124.3 
1 1 1 34 11 23 o -1.001000      1.106000      50.85191      163.5  
1 1 1 34 11 24 o -1.392000      1.239000      55.72159      -16.5  
1 1 1 34 11 25 o -2.201000      1.247000      23.17352      63.1   
1 1 1 34 11 26 o 0.4372000      1.069000      51.83016      153.3  
1 1 1 34 11 27 o -0.1633000     1.093000      18.83866      -101.9 
1 1 1 34 11 28 o -0.3881000     1.090000      60.78961      -20.0  
1 1 1 34 11 29 o 0.1616000      1.085000      70.30112      143.7  
1 1 1 34 11 30 o -1.554000      1.097000      92.57620      -167.3 
1 1 1 34 11 31 o -0.9262000     1.113000      39.21360      -2.8   
1 1 1 34 11 32 o -1.927000      1.126000      16.53913      -131.0 
1 1 1 34 11 33 o -0.8778000E-01 1.126000      24.69547      138.4  
1 1 1 34 11 34 o 0.8744000      1.143000      41.44492      67.7   
1 1 1 34 11 35 o 1.415000       1.138000      48.70025      -132.5 
1 1 1 34 11 36 o -2.915000      1.235000      17.15252      -171.9 
1 1 1 34 11 37 o 1.721000       1.268000      66.84202      -15.9  
1 1 1 34 11 38 o 1.354000       1.442000      79.60116      61.1   
1 1 1 34 11 39 o -2.035000      1.226000      ?             ?      
1 1 1 34 11 40 o 1.199000       1.147000      ?             ?      
1 1 1 34 11 41 o -1.030000      1.111000      ?             ?      
1 1 1 34 11 42 o 0.1474000      1.111000      ?             ?      
1 1 1 34 11 43 o -0.4474000     1.114000      ?             ?      
1 1 1 34 11 44 o 1.835000       1.318000      ?             ?      
1 1 1 34 11 45 o -0.3519000     1.316000      ?             ?      
1 1 1 34 11 46 o -0.7871000E-01 1.193000      ?             ?      
1 1 1 34 11 47 o -0.1771000     1.178000      ?             ?      
1 1 1 34 11 48 o -0.2920000     1.164000      ?             ?      
1 1 1 34 11 49 o 2.543000       1.196000      ?             ?      
1 1 1 34 11 50 o -2.001000      1.191000      ?             ?      
1 1 1 34 11 51 o 2.518000       1.197000      ?             ?      
1 1 1 34 11 52 o -1.249000      1.120000      ?             ?      
1 1 1 34 11 53 o 0.3015000      1.122000      ?             ?      
1 1 1 34 11 54 o 1.118000       1.140000      ?             ?      
1 1 1 34 11 55 o -2.218000      1.268000      ?             ?      
1 1 1 34 11 56 f -1.187000      1.330000      ?             ?      
1 1 1 34 11 57 o 1.289000       2.041000      ?             ?      
1 1 1 34 11 58 o -1.213000      1.270000      ?             ?      
1 1 1 34 11 59 o -0.5611000     1.192000      ?             ?      
1 1 1 34 11 60 o -3.616000      4.105000      ?             ?      
1 1 1 34 12 0  o -3.397000      2.195000      40.05580      -180.0 
1 1 1 34 12 1  o 0.6928000      1.499000      77.89204      -114.2 
1 1 1 34 12 2  o -3.130000      1.424000      31.22791      -104.5 
1 1 1 34 12 3  o -1.831000      1.467000      24.61615      -76.0  
1 1 1 34 12 4  o -2.778000      1.503000      60.96004      74.5   
1 1 1 34 12 5  o -2.870000      1.543000      16.36139      40.1   
1 1 1 34 12 6  o 1.783000       1.547000      126.4924      -40.7  
1 1 1 34 12 7  o -1.417000      1.378000      69.61382      -43.1  
1 1 1 34 12 8  o -0.3711000     1.427000      164.4010      97.1   
1 1 1 34 12 9  o 2.329000       1.498000      15.26937      -47.0  
1 1 1 34 12 10 o -2.510000      1.268000      62.86768      117.1  
1 1 1 34 12 11 o -2.397000      1.097000      73.69296      -174.4 
1 1 1 34 12 12 o -1.117000      1.116000      48.42590      150.2  
1 1 1 34 12 13 o -0.2540000     1.182000      89.03821      14.2   
1 1 1 34 12 14 o -2.448000      1.198000      52.39077      -177.3 
1 1 1 34 12 15 o -0.8780000     1.182000      46.02435      133.1  
1 1 1 34 12 16 o -1.333000      1.157000      32.43406      -109.5 
1 1 1 34 12 17 o -2.120000      1.192000      49.98170      110.9  
1 1 1 34 12 18 o 1.230000       1.170000      39.51473      -151.5 
1 1 1 34 12 19 o -0.1090000     1.321000      84.85332      -105.4 
1 1 1 34 12 20 o -3.111000      1.219000      29.44911      -65.7  
1 1 1 34 12 21 o -0.7110000     1.142000      27.18418      104.6  
1 1 1 34 12 22 o -1.011000      1.421000      41.03485      166.7  
1 1 1 34 12 23 o -1.538000      1.181000      51.77238      -52.7  
1 1 1 34 12 24 o -0.4037000     1.105000      7.644959      -157.0 
1 1 1 34 12 25 o -0.8522000     1.062000      77.06225      -173.4 
1 1 1 34 12 26 o -0.8813000E-02 1.106000      40.46161      -95.7  
1 1 1 34 12 27 o -0.3673000     1.114000      27.29933      16.9   
1 1 1 34 12 28 o -1.698000      1.100000      50.01576      39.0   
1 1 1 34 12 29 o 0.1701000      1.101000      87.15519      -57.3  
1 1 1 34 12 30 o -1.824000      1.107000      51.46272      -163.0 
1 1 1 34 12 31 o -0.2429000     1.145000      110.6803      -11.4  
1 1 1 34 12 32 o -0.1008000     1.151000      28.93565      -161.6 
1 1 1 34 12 33 o -1.687000      1.155000      99.45764      -8.5   
1 1 1 34 12 34 o 1.057000       1.140000      40.27558      -49.7  
1 1 1 34 12 35 o 0.7310000      1.130000      41.35672      53.0   
1 1 1 34 12 36 o 0.1467000      1.260000      31.35204      -41.4  
1 1 1 34 12 37 o -1.014000      1.271000      53.40522      96.8   
1 1 1 34 12 38 o 0.2930000      1.255000      41.41809      -154.9 
1 1 1 34 12 39 o 1.590000       1.215000      ?             ?      
1 1 1 34 12 40 o -0.8692000     1.074000      ?             ?      
1 1 1 34 12 41 o -0.4218000     1.052000      ?             ?      
1 1 1 34 12 42 o -2.131000      1.096000      ?             ?      
1 1 1 34 12 43 o 0.2754000      1.099000      ?             ?      
1 1 1 34 12 44 o -0.1221000     1.327000      ?             ?      
1 1 1 34 12 45 o -1.375000      1.323000      ?             ?      
1 1 1 34 12 46 o -1.490000      1.363000      ?             ?      
1 1 1 34 12 47 o 2.139000       1.190000      ?             ?      
1 1 1 34 12 48 o 0.2340000      1.095000      ?             ?      
1 1 1 34 12 49 o -1.083000      1.173000      ?             ?      
1 1 1 34 12 50 o -0.6180000     1.256000      ?             ?      
1 1 1 34 12 51 o 0.2186000      1.192000      ?             ?      
1 1 1 34 12 52 o -0.8634000     1.120000      ?             ?      
1 1 1 34 12 53 o -1.852000      1.130000      ?             ?      
1 1 1 34 12 54 o -0.4041000     1.134000      ?             ?      
1 1 1 34 12 55 o 1.161000       1.275000      ?             ?      
1 1 1 34 12 56 o -0.5690000     1.297000      ?             ?      
1 1 1 34 12 57 o -0.1925000     1.296000      ?             ?      
1 1 1 34 12 58 o 0.1329000      1.264000      ?             ?      
1 1 1 34 12 59 o -2.297000      1.664000      ?             ?      
1 1 1 34 13 0  o -1.398000      2.133000      158.2891      180.0  
1 1 1 34 13 1  o -1.847000      1.351000      105.3607      -7.4   
1 1 1 34 13 2  o 0.6843000      1.486000      35.66527      48.6   
1 1 1 34 13 3  o 0.7084000      1.458000      92.54363      -136.3 
1 1 1 34 13 4  o -2.752000      1.345000      89.33564      -155.8 
1 1 1 34 13 5  o -0.6695000     1.760000      161.9420      122.1  
1 1 1 34 13 6  o -0.3027000     2.001000      147.4778      167.9  
1 1 1 34 13 7  o 0.2469000      1.377000      52.37384      173.5  
1 1 1 34 13 8  o -1.716000      1.230000      17.91337      27.5   
1 1 1 34 13 9  o -1.632000      1.184000      114.0320      -126.5 
1 1 1 34 13 10 o -0.5458000     1.205000      79.56844      -21.6  
1 1 1 34 13 11 o -0.9033000     1.106000      123.4562      164.3  
1 1 1 34 13 12 o 0.8488000E-01  1.104000      48.66273      153.6  
1 1 1 34 13 13 o 0.7104000      1.127000      124.7345      -92.4  
1 1 1 34 13 14 o -0.3765000     1.185000      85.22411      -153.3 
1 1 1 34 13 15 o -0.8793000     1.204000      162.4505      -163.5 
1 1 1 34 13 16 o 2.148000       1.179000      52.94066      -126.1 
1 1 1 34 13 17 o -1.314000      1.154000      41.17844      82.8   
1 1 1 34 13 18 o 1.420000       1.110000      135.2756      -63.6  
1 1 1 34 13 19 o 0.2441000E-02  1.282000      74.94131      -154.3 
1 1 1 34 13 20 o -0.6532000E-01 1.458000      21.58718      -168.7 
1 1 1 34 13 21 o 0.1175000      1.179000      144.8479      -20.1  
1 1 1 34 13 22 o -1.328000      1.161000      86.81245      -118.9 
1 1 1 34 13 23 o -1.027000      1.171000      55.87239      12.3   
1 1 1 34 13 24 o -1.245000      1.181000      55.28484      -3.4   
1 1 1 34 13 25 o 0.7191000      1.078000      37.39062      77.5   
1 1 1 34 13 26 o 0.6118000      1.111000      111.7002      -2.2   
1 1 1 34 13 27 o 0.4007000      1.138000      42.21242      50.6   
1 1 1 34 13 28 o -0.8445000     1.135000      135.9261      78.6   
1 1 1 34 13 29 o -2.283000      1.127000      106.1105      -137.7 
1 1 1 34 13 30 o 1.074000       1.125000      114.3129      176.7  
1 1 1 34 13 31 o 0.7000000      1.151000      67.05560      -60.5  
1 1 1 34 13 32 o -0.2424000     1.157000      105.3102      94.7   
1 1 1 34 13 33 o 0.4487000      1.157000      54.38179      -44.5  
1 1 1 34 13 34 o 0.9900000      1.128000      54.16348      121.3  
1 1 1 34 13 35 o -0.1243000     1.138000      59.28132      -49.0  
1 1 1 34 13 36 o -1.108000      1.246000      82.43248      -79.6  
1 1 1 34 13 37 o 2.766000       1.422000      107.4608      69.6   
1 1 1 34 13 38 o -0.9321000     1.216000      ?             ?      
1 1 1 34 13 39 o -1.346000      1.089000      ?             ?      
1 1 1 34 13 40 o 0.1424000      1.066000      ?             ?      
1 1 1 34 13 41 o -2.764000      1.049000      ?             ?      
1 1 1 34 13 42 o 0.2476000      1.055000      ?             ?      
1 1 1 34 13 43 o 2.124000       1.098000      ?             ?      
1 1 1 34 13 44 o -0.1818000     1.107000      ?             ?      
1 1 1 34 13 45 o -0.9299000     1.308000      ?             ?      
1 1 1 34 13 46 o -0.4992000     1.372000      ?             ?      
1 1 1 34 13 47 o -0.6037000     1.173000      ?             ?      
1 1 1 34 13 48 o -0.1487000     1.184000      ?             ?      
1 1 1 34 13 49 o 0.7558000      1.196000      ?             ?      
1 1 1 34 13 50 o 0.8647000      1.185000      ?             ?      
1 1 1 34 13 51 o 1.493000       1.189000      ?             ?      
1 1 1 34 13 52 o 0.3736000      1.183000      ?             ?      
1 1 1 34 13 53 o 0.7224000E-01  1.137000      ?             ?      
1 1 1 34 13 54 o 1.836000       1.279000      ?             ?      
1 1 1 34 13 55 o -1.461000      1.312000      ?             ?      
1 1 1 34 13 56 o -0.1638000E-01 1.960000      ?             ?      
1 1 1 34 13 57 o -1.234000      1.256000      ?             ?      
1 1 1 34 13 58 o 1.699000       1.204000      ?             ?      
1 1 1 34 13 59 o -0.5839000     1.207000      ?             ?      
1 1 1 34 14 0  o -2.582000      2.115000      11.27861      -0.0   
1 1 1 34 14 1  o 0.8421000      1.418000      118.0969      -95.4  
1 1 1 34 14 2  o -0.7760000     1.279000      113.8988      -4.6   
1 1 1 34 14 3  o 2.106000       1.390000      121.9322      -12.5  
1 1 1 34 14 4  o 1.382000       1.796000      62.22173      39.4   
1 1 1 34 14 5  o 0.1204000      1.348000      124.1659      -79.9  
1 1 1 34 14 6  o 0.8075000      1.251000      115.2451      38.2   
1 1 1 34 14 7  o 1.277000       1.198000      216.4163      53.4   
1 1 1 34 14 8  o -0.1228000     1.213000      190.7877      -0.7   
1 1 1 34 14 9  o 0.3631000E-02  1.135000      58.63039      5.5    
1 1 1 34 14 10 o 1.049000       1.067000      161.6306      173.7  
1 1 1 34 14 11 o -1.421000      1.058000      95.44226      -149.3 
1 1 1 34 14 12 o -1.370000      1.098000      101.7765      -73.5  
1 1 1 34 14 13 o 0.6410000      1.153000      145.0781      -17.9  
1 1 1 34 14 14 o -0.3206000     1.209000      48.85648      -142.1 
1 1 1 34 14 15 f -2.701000      1.152000      81.73309      123.4  
1 1 1 34 14 16 o 1.160000       1.149000      61.04353      -10.2  
1 1 1 34 14 17 o 0.9737000      1.263000      117.6280      63.8   
1 1 1 34 14 18 o 1.463000       1.143000      58.02114      -81.7  
1 1 1 34 14 19 o -0.2077000     1.210000      94.82515      57.3   
1 1 1 34 14 20 o -0.3917000     1.275000      82.11600      45.9   
1 1 1 34 14 21 o 2.087000       1.308000      53.99601      -3.3   
1 1 1 34 14 22 o 0.7190000E-01  1.191000      98.95326      -57.9  
1 1 1 34 14 23 o 1.403000       1.229000      124.6912      -46.2  
1 1 1 34 14 24 o 0.9164000E-01  1.228000      161.8261      72.7   
1 1 1 34 14 25 o 0.6137000      1.213000      131.3598      136.9  
1 1 1 34 14 26 o 0.3601000      1.121000      33.96003      -61.6  
1 1 1 34 14 27 o 0.4323000      1.121000      42.43178      140.2  
1 1 1 34 14 28 o 0.7139000      1.136000      134.8152      -29.1  
1 1 1 34 14 29 o -0.6371000     1.130000      147.6512      -117.8 
1 1 1 34 14 30 o -1.908000      1.136000      26.33138      80.7   
1 1 1 34 14 31 o 0.3192000      1.149000      129.1779      -97.5  
1 1 1 34 14 32 o -0.5079000     1.171000      180.4906      13.0   
1 1 1 34 14 33 o 0.4620000      1.139000      35.74203      -24.4  
1 1 1 34 14 34 o 0.4009000      1.125000      61.42201      84.1   
1 1 1 34 14 35 o -2.738000      1.228000      93.16895      167.5  
1 1 1 34 14 36 o -0.2112000     1.239000      101.4667      93.0   
1 1 1 34 14 37 o -0.8595000E-01 1.213000      18.81646      -62.6  
1 1 1 34 14 38 o 0.2486000      1.184000      ?             ?      
1 1 1 34 14 39 o -0.1752000     1.065000      ?             ?      
1 1 1 34 14 40 o 0.9476000      1.053000      ?             ?      
1 1 1 34 14 41 o 0.1905000      1.041000      ?             ?      
1 1 1 34 14 42 o 1.419000       1.061000      ?             ?      
1 1 1 34 14 43 o -1.048000      1.035000      ?             ?      
1 1 1 34 14 44 o 1.341000       1.090000      ?             ?      
1 1 1 34 14 45 o 0.5689000      1.295000      ?             ?      
1 1 1 34 14 46 o 1.082000       1.306000      ?             ?      
1 1 1 34 14 47 o 0.7640000      1.175000      ?             ?      
1 1 1 34 14 48 o 1.392000       1.192000      ?             ?      
1 1 1 34 14 49 o 0.1139000      1.110000      ?             ?      
1 1 1 34 14 50 o 1.343000       1.189000      ?             ?      
1 1 1 34 14 51 f -0.3478000     1.253000      ?             ?      
1 1 1 34 14 52 o 1.013000       1.180000      ?             ?      
1 1 1 34 14 53 o 0.5584000      1.130000      ?             ?      
1 1 1 34 14 54 o -0.3561000     1.257000      ?             ?      
1 1 1 34 14 55 o 1.893000       1.417000      ?             ?      
1 1 1 34 14 56 o -1.762000      1.293000      ?             ?      
1 1 1 34 14 57 o 0.2171000      1.274000      ?             ?      
1 1 1 34 14 58 o 2.105000       1.205000      ?             ?      
1 1 1 34 14 59 o 1.034000       1.305000      ?             ?      
1 1 1 34 15 0  o 7.593000       2.562000      33.92672      0.0    
1 1 1 34 15 1  o 4.189000       1.810000      364.0965      16.4   
1 1 1 34 15 2  o -5.090000      1.477000      33.21152      -160.4 
1 1 1 34 15 3  o -0.8067000     1.200000      81.67039      -163.1 
1 1 1 34 15 4  o 2.561000       1.208000      193.3267      75.0   
1 1 1 34 15 5  o 0.6441000      1.229000      140.7549      152.6  
1 1 1 34 15 6  o -0.2726000     1.193000      119.6765      145.0  
1 1 1 34 15 7  o 1.200000       1.186000      104.2633      -173.9 
1 1 1 34 15 8  o -0.1441000     1.147000      67.49336      167.8  
1 1 1 34 15 9  f 0.8466000E-01  1.135000      108.7064      139.4  
1 1 1 34 15 10 o 1.862000       1.100000      28.52020      76.7   
1 1 1 34 15 11 o 2.214000       1.110000      202.4759      -161.6 
1 1 1 34 15 12 o -1.177000      1.041000      85.46448      -17.4  
1 1 1 34 15 13 o 0.4486000      1.107000      114.7937      -52.6  
1 1 1 34 15 14 o -2.243000      1.239000      136.5298      -163.7 
1 1 1 34 15 15 o 0.2784000      1.253000      117.6686      118.6  
1 1 1 34 15 16 o 3.722000       1.120000      165.6193      -103.8 
1 1 1 34 15 17 o 0.3911000      1.113000      135.6634      -138.6 
1 1 1 34 15 18 o 2.191000       1.129000      170.0810      -95.2  
1 1 1 34 15 19 o 1.888000       1.154000      127.8030      -65.7  
1 1 1 34 15 20 o 2.455000       1.256000      127.6551      -1.1   
1 1 1 34 15 21 o 2.606000       1.316000      145.6058      -23.0  
1 1 1 34 15 22 o 0.5800000      1.249000      96.29819      68.4   
1 1 1 34 15 23 o 1.576000       1.228000      182.2244      94.5   
1 1 1 34 15 24 o -1.519000      1.203000      90.14045      6.5    
1 1 1 34 15 25 o 0.3931000      1.252000      133.1297      88.3   
1 1 1 34 15 26 o 0.5446000      1.113000      87.85126      -65.3  
1 1 1 34 15 27 o 1.936000       1.135000      154.8449      125.6  
1 1 1 34 15 28 o 1.500000       1.150000      100.8585      -52.6  
1 1 1 34 15 29 o 3.248000       1.145000      146.6184      -115.6 
1 1 1 34 15 30 o 2.028000       1.141000      96.82067      89.6   
1 1 1 34 15 31 o 1.491000       1.158000      200.9734      126.3  
1 1 1 34 15 32 o -0.4582000     1.149000      96.75555      65.4   
1 1 1 34 15 33 o 0.2868000      1.121000      154.0417      -173.4 
1 1 1 34 15 34 o 0.5410000      1.145000      68.91584      -74.2  
1 1 1 34 15 35 o -0.2445000     1.245000      116.6093      -120.4 
1 1 1 34 15 36 o -0.1222000     1.379000      110.2763      -70.0  
1 1 1 34 15 37 o 0.8067000      1.185000      ?             ?      
1 1 1 34 15 38 o 0.2268000E-01  1.117000      ?             ?      
1 1 1 34 15 39 o -0.5271000     1.046000      ?             ?      
1 1 1 34 15 40 o 0.8974000      1.045000      ?             ?      
1 1 1 34 15 41 o 1.790000       1.097000      ?             ?      
1 1 1 34 15 42 o 0.7896000      1.037000      ?             ?      
1 1 1 34 15 43 o 0.3188000E-01  1.043000      ?             ?      
1 1 1 34 15 44 o -1.049000      1.039000      ?             ?      
1 1 1 34 15 45 o 1.486000       1.324000      ?             ?      
1 1 1 34 15 46 o 1.609000       1.301000      ?             ?      
1 1 1 34 15 47 o 0.9064000      1.378000      ?             ?      
1 1 1 34 15 48 o -0.6630000E-01 1.198000      ?             ?      
1 1 1 34 15 49 o 0.7763000      1.112000      ?             ?      
1 1 1 34 15 50 o -0.6679000     1.182000      ?             ?      
1 1 1 34 15 51 o -0.1775000     1.177000      ?             ?      
1 1 1 34 15 52 o -0.3858000     1.191000      ?             ?      
1 1 1 34 15 53 o 0.1822000      1.218000      ?             ?      
1 1 1 34 15 54 o 0.4516000      1.313000      ?             ?      
1 1 1 34 15 55 o -3.137000      1.973000      ?             ?      
1 1 1 34 15 56 o 0.3694000      1.315000      ?             ?      
1 1 1 34 15 57 o -1.066000      1.195000      ?             ?      
1 1 1 34 15 58 o 1.046000       1.199000      ?             ?      
1 1 1 34 16 0  o -0.9190000     2.224000      44.47279      -180.0 
1 1 1 34 16 1  o -0.4552000     1.447000      38.06490      -36.3  
1 1 1 34 16 2  o 0.2395000      1.385000      44.30884      52.7   
1 1 1 34 16 3  o 2.110000       1.393000      89.85513      21.8   
1 1 1 34 16 4  o 0.2102000      1.220000      102.4098      -38.8  
1 1 1 34 16 5  o -1.778000      1.226000      155.7053      -102.2 
1 1 1 34 16 6  o -0.4437000     1.262000      195.9642      21.9   
1 1 1 34 16 7  o 1.752000       1.232000      212.3590      -2.1   
1 1 1 34 16 8  o 1.696000       1.209000      196.7696      -9.7   
1 1 1 34 16 9  o 1.162000       1.147000      243.2719      143.5  
1 1 1 34 16 10 o -0.6072000E-01 1.045000      121.7983      -118.5 
1 1 1 34 16 11 o 1.057000       1.059000      206.3964      -76.3  
1 1 1 34 16 12 o 2.016000       1.137000      214.6116      -53.3  
1 1 1 34 16 13 o 1.131000       1.049000      20.46297      -139.0 
1 1 1 34 16 14 o 0.6691000      1.092000      140.5115      -176.1 
1 1 1 34 16 15 o 0.2095000      1.097000      42.48663      -14.9  
1 1 1 34 16 16 f 2.024000       1.117000      166.9017      -20.3  
1 1 1 34 16 17 o 7.224000       1.165000      362.4066      33.9   
1 1 1 34 16 18 o 1.600000       1.134000      103.0337      87.1   
1 1 1 34 16 19 o -0.5909000     1.139000      20.18290      58.8   
1 1 1 34 16 20 o 1.322000       1.222000      195.4406      91.9   
1 1 1 34 16 21 o -1.179000      1.244000      112.4331      175.7  
1 1 1 34 16 22 o 0.4857000      1.328000      163.0992      -118.4 
1 1 1 34 16 23 o 3.232000       1.251000      209.2560      100.2  
1 1 1 34 16 24 o -2.537000      1.209000      92.57610      -130.0 
1 1 1 34 16 25 o 1.141000       1.249000      121.6608      13.1   
1 1 1 34 16 26 o 0.1188000      1.250000      83.10388      -116.9 
1 1 1 34 16 27 o -1.093000      1.141000      110.8782      60.8   
1 1 1 34 16 28 o 2.152000       1.144000      97.07571      -76.7  
1 1 1 34 16 29 o 2.861000       1.143000      178.4631      -132.0 
1 1 1 34 16 30 o -0.5002000     1.130000      221.3864      -154.9 
1 1 1 34 16 31 o 1.264000       1.160000      244.1062      -135.9 
1 1 1 34 16 32 o 1.761000       1.148000      327.4468      -42.3  
1 1 1 34 16 33 o -0.1290000     1.108000      32.97386      -62.3  
1 1 1 34 16 34 o -1.193000      1.229000      28.50450      149.5  
1 1 1 34 16 35 o -0.8669000     1.349000      66.05313      48.9   
1 1 1 34 16 36 o 0.9143000      1.249000      181.6273      35.1   
1 1 1 34 16 37 o -0.7564000     1.185000      ?             ?      
1 1 1 34 16 38 o 2.024000       1.065000      ?             ?      
1 1 1 34 16 39 o 0.6858000      1.044000      ?             ?      
1 1 1 34 16 40 o 0.7130000      1.044000      ?             ?      
1 1 1 34 16 41 o -0.1060000     1.031000      ?             ?      
1 1 1 34 16 42 o 1.654000       1.042000      ?             ?      
1 1 1 34 16 43 o 0.8996000      1.030000      ?             ?      
1 1 1 34 16 44 o 0.2875000      1.029000      ?             ?      
1 1 1 34 16 45 o 0.4165000      1.067000      ?             ?      
1 1 1 34 16 46 o 0.3030000      1.281000      ?             ?      
1 1 1 34 16 47 o -2.353000      1.354000      ?             ?      
1 1 1 34 16 48 o 0.4106000      1.184000      ?             ?      
1 1 1 34 16 49 o -0.5873000     1.112000      ?             ?      
1 1 1 34 16 50 o -1.719000      1.095000      ?             ?      
1 1 1 34 16 51 f 1.527000       1.181000      ?             ?      
1 1 1 34 16 52 o 0.4434000      1.238000      ?             ?      
1 1 1 34 16 53 o 1.097000       1.322000      ?             ?      
1 1 1 34 16 54 o -1.112000      1.334000      ?             ?      
1 1 1 34 16 55 o 0.5078000      1.287000      ?             ?      
1 1 1 34 16 56 o -0.1753000     1.187000      ?             ?      
1 1 1 34 16 57 o 1.225000       1.187000      ?             ?      
1 1 1 34 16 58 o -0.3101000     1.195000      ?             ?      
1 1 1 34 17 0  o 5.619000       1.929000      184.6455      -0.0   
1 1 1 34 17 1  o 0.5651000      1.465000      201.8869      -4.7   
1 1 1 34 17 2  o 0.5653000E-01  1.270000      135.7271      160.0  
1 1 1 34 17 3  o -0.9088000     1.222000      6.739676      -122.0 
1 1 1 34 17 4  o 0.6793000      1.225000      91.51087      99.3   
1 1 1 34 17 5  o 3.142000       1.325000      104.5596      47.4   
1 1 1 34 17 6  o 3.706000       1.274000      242.1027      114.6  
1 1 1 34 17 7  o 0.6004000      1.188000      239.5045      168.6  
1 1 1 34 17 8  o -1.881000      1.186000      62.42282      -98.0  
1 1 1 34 17 9  o 0.4402000      1.148000      121.3907      108.3  
1 1 1 34 17 10 o -0.1875000     1.103000      106.6956      -66.4  
1 1 1 34 17 11 o 1.272000       1.047000      31.79787      -75.5  
1 1 1 34 17 12 o 1.977000       1.055000      222.2304      -1.4   
1 1 1 34 17 13 o 3.146000       1.046000      165.3361      -83.4  
1 1 1 34 17 14 o 1.531000       1.032000      98.75818      -161.6 
1 1 1 34 17 15 o -0.2681000     1.091000      122.2835      46.8   
1 1 1 34 17 16 o 4.287000       1.111000      161.4610      -151.7 
1 1 1 34 17 17 o 1.882000       1.124000      97.64718      122.9  
1 1 1 34 17 18 o 0.5362000      1.126000      178.0564      -92.3  
1 1 1 34 17 19 o 5.166000       1.171000      317.6134      -50.7  
1 1 1 34 17 20 o 2.171000       1.143000      199.1681      -14.2  
1 1 1 34 17 21 o 0.7598000      1.239000      238.9618      -136.5 
1 1 1 34 17 22 o 3.278000       1.333000      134.7713      154.2  
1 1 1 34 17 23 o 2.406000       1.334000      95.76128      -49.5  
1 1 1 34 17 24 o -0.7666000     1.295000      106.2738      81.1   
1 1 1 34 17 25 o -0.5540000     1.272000      81.57366      -9.5   
1 1 1 34 17 26 o 1.993000       1.267000      128.0426      159.8  
1 1 1 34 17 27 o 1.106000       1.223000      24.28339      148.9  
1 1 1 34 17 28 o 4.330000       1.153000      210.5425      -54.5  
1 1 1 34 17 29 o 1.002000       1.137000      179.8857      -172.4 
1 1 1 34 17 30 o 3.327000       1.145000      187.9335      10.6   
1 1 1 34 17 31 o 0.4746000      1.141000      137.1420      79.3   
1 1 1 34 17 32 o 2.681000       1.133000      186.7667      -16.6  
1 1 1 34 17 33 o 0.7721000E-01  1.149000      80.78217      93.9   
1 1 1 34 17 34 o 0.8441000      1.231000      74.98276      -122.3 
1 1 1 34 17 35 o 2.741000       1.376000      184.4072      -153.3 
1 1 1 34 17 36 o 1.322000       1.214000      ?             ?      
1 1 1 34 17 37 o -1.148000      1.140000      ?             ?      
1 1 1 34 17 38 o -0.8469000     1.053000      ?             ?      
1 1 1 34 17 39 o 0.6906000      1.029000      ?             ?      
1 1 1 34 17 40 o 0.2494000      1.073000      ?             ?      
1 1 1 34 17 41 o 1.155000       1.047000      ?             ?      
1 1 1 34 17 42 o 0.9704000      1.019000      ?             ?      
1 1 1 34 17 43 o -0.5311000     1.023000      ?             ?      
1 1 1 34 17 44 o -0.3284000E-01 1.019000      ?             ?      
1 1 1 34 17 45 o 0.4776000      1.035000      ?             ?      
1 1 1 34 17 46 o -1.432000      1.235000      ?             ?      
1 1 1 34 17 47 o 0.1031000      1.289000      ?             ?      
1 1 1 34 17 48 o 0.1747000      1.182000      ?             ?      
1 1 1 34 17 49 o -0.2272000     1.198000      ?             ?      
1 1 1 34 17 50 o 2.348000       1.108000      ?             ?      
1 1 1 34 17 51 o -1.241000      1.165000      ?             ?      
1 1 1 34 17 52 o 0.3836000      1.186000      ?             ?      
1 1 1 34 17 53 o 0.2362000      1.396000      ?             ?      
1 1 1 34 17 54 o -1.379000      1.523000      ?             ?      
1 1 1 34 17 55 o -0.5006000E-01 1.293000      ?             ?      
1 1 1 34 17 56 o 1.389000       1.180000      ?             ?      
1 1 1 34 17 57 o -0.9930000     1.180000      ?             ?      
1 1 1 34 17 58 o 2.420000       1.506000      ?             ?      
1 1 1 34 18 0  o 3.970000       1.824000      262.9144      -0.0   
1 1 1 34 18 1  o 0.6411000      1.321000      70.85983      -173.0 
1 1 1 34 18 2  o 5.937000       1.273000      240.1210      -35.8  
1 1 1 34 18 3  o 2.482000       1.299000      195.0215      65.2   
1 1 1 34 18 4  o 0.5590000      1.218000      224.4061      -70.1  
1 1 1 34 18 5  o 3.334000       1.251000      201.4754      -171.6 
1 1 1 34 18 6  o 2.851000       1.285000      246.2069      56.5   
1 1 1 34 18 7  o 13.56000       1.385000      598.6516      -85.0  
1 1 1 34 18 8  o 0.8277000E-01  1.140000      37.36224      -78.3  
1 1 1 34 18 9  o 1.153000       1.033000      19.58761      152.9  
1 1 1 34 18 10 o 1.524000       1.035000      160.8968      -26.8  
1 1 1 34 18 11 o 3.875000       1.106000      260.0344      -47.6  
1 1 1 34 18 12 o -1.165000      1.158000      227.1228      81.2   
1 1 1 34 18 13 o 1.889000       1.061000      231.4300      126.3  
1 1 1 34 18 14 o 0.7012000      1.025000      64.01856      44.2   
1 1 1 34 18 15 o 0.7074000      1.094000      103.0194      -31.4  
1 1 1 34 18 16 o 4.181000       1.117000      164.6647      163.2  
1 1 1 34 18 17 o 2.084000       1.129000      245.4217      39.0   
1 1 1 34 18 18 o -0.3890000     1.127000      75.05243      -179.7 
1 1 1 34 18 19 o 1.846000       1.137000      194.7593      0.6    
1 1 1 34 18 20 o 1.885000       1.128000      126.2262      48.3   
1 1 1 34 18 21 o 3.626000       1.143000      233.7612      -174.0 
1 1 1 34 18 22 o 1.786000       1.347000      118.9150      -57.8  
1 1 1 34 18 23 o -0.3886000     1.327000      38.24628      147.1  
1 1 1 34 18 24 o -1.500000      1.315000      108.1923      -105.6 
1 1 1 34 18 25 o 5.650000       1.341000      215.4754      173.6  
1 1 1 34 18 26 o 0.1910000      1.291000      27.27254      -64.6  
1 1 1 34 18 27 o 0.2000000      1.273000      93.46894      55.2   
1 1 1 34 18 28 o 2.259000       1.151000      140.6115      -131.1 
1 1 1 34 18 29 o 1.015000       1.142000      65.81258      75.2   
1 1 1 34 18 30 o 4.982000       1.169000      246.1194      -167.4 
1 1 1 34 18 31 o 0.1049000      1.116000      70.51500      112.7  
1 1 1 34 18 32 o 2.810000       1.136000      222.6772      -54.8  
1 1 1 34 18 33 o 1.654000       1.246000      161.2700      30.2   
1 1 1 34 18 34 o 0.7283000E-01  1.345000      99.45149      140.1  
1 1 1 34 18 35 o 0.6326000E-01  1.332000      ?             ?      
1 1 1 34 18 36 o 2.088000       1.186000      ?             ?      
1 1 1 34 18 37 o 0.3920000      1.065000      ?             ?      
1 1 1 34 18 38 o 0.8804000      1.065000      ?             ?      
1 1 1 34 18 39 o -1.130000      1.032000      ?             ?      
1 1 1 34 18 40 o 0.9509000      1.032000      ?             ?      
1 1 1 34 18 41 o 0.6251000      1.040000      ?             ?      
1 1 1 34 18 42 o 1.665000       1.026000      ?             ?      
1 1 1 34 18 43 o 0.5520000      1.013000      ?             ?      
1 1 1 34 18 44 o -1.002000      1.015000      ?             ?      
1 1 1 34 18 45 o 1.476000       1.035000      ?             ?      
1 1 1 34 18 46 o -0.4681000     1.256000      ?             ?      
1 1 1 34 18 47 o -0.1236000     1.260000      ?             ?      
1 1 1 34 18 48 o -0.5111000     1.207000      ?             ?      
1 1 1 34 18 49 o 0.6184000E-01  1.191000      ?             ?      
1 1 1 34 18 50 o -1.995000      1.088000      ?             ?      
1 1 1 34 18 51 o 0.9610000      1.089000      ?             ?      
1 1 1 34 18 52 o 0.6786000      1.408000      ?             ?      
1 1 1 34 18 53 o 1.019000       1.551000      ?             ?      
1 1 1 34 18 54 o -2.871000      1.361000      ?             ?      
1 1 1 34 18 55 o -0.4111000     1.175000      ?             ?      
1 1 1 34 18 56 o 0.6384000      1.172000      ?             ?      
1 1 1 34 18 57 o 0.7901000      1.197000      ?             ?      
1 1 1 34 19 0  o 0.8343000      2.364000      339.1944      0.0    
1 1 1 34 19 1  o 8.312000       1.751000      365.5532      63.3   
1 1 1 34 19 2  o 2.321000       1.278000      156.9068      -168.9 
1 1 1 34 19 3  o 0.8434000      1.227000      68.00562      129.7  
1 1 1 34 19 4  o 1.423000       1.271000      75.30354      115.7  
1 1 1 34 19 5  o 8.396000       1.216000      397.7770      54.9   
1 1 1 34 19 6  o 2.296000       1.156000      78.48186      89.5   
1 1 1 34 19 7  o 3.207000       1.160000      310.2132      146.6  
1 1 1 34 19 8  o 9.702000       1.193000      467.8228      -11.8  
1 1 1 34 19 9  o 6.444000       1.083000      442.3249      158.9  
1 1 1 34 19 10 o 2.020000       1.131000      221.9880      68.3   
1 1 1 34 19 11 o 1.621000       1.152000      120.3770      -145.0 
1 1 1 34 19 12 o 0.5702000      1.062000      220.7419      -82.0  
1 1 1 34 19 13 o 6.583000       1.123000      340.5445      -123.9 
1 1 1 34 19 14 o 1.882000       1.089000      252.8595      -25.8  
1 1 1 34 19 15 o -0.5856000     1.121000      207.5023      45.0   
1 1 1 34 19 16 o 1.558000       1.120000      186.5585      162.1  
1 1 1 34 19 17 o -1.066000      1.118000      191.5991      -54.2  
1 1 1 34 19 18 o 2.282000       1.150000      28.06732      -103.2 
1 1 1 34 19 19 o 5.518000       1.180000      287.1816      -35.1  
1 1 1 34 19 20 o 1.784000       1.132000      152.7386      -124.8 
1 1 1 34 19 21 o 0.5879000      1.143000      135.3025      167.3  
1 1 1 34 19 22 o 1.367000       1.163000      238.5694      -76.3  
1 1 1 34 19 23 o 2.142000       1.355000      150.1170      -48.5  
1 1 1 34 19 24 o 5.474000       1.430000      218.3178      -99.3  
1 1 1 34 19 25 o -2.413000      1.339000      55.12357      -21.5  
1 1 1 34 19 26 o 2.232000       1.302000      119.5410      -168.6 
1 1 1 34 19 27 o -1.339000      1.282000      91.77805      153.8  
1 1 1 34 19 28 o 3.418000       1.257000      231.0781      -160.7 
1 1 1 34 19 29 o 2.038000       1.150000      186.1948      -150.9 
1 1 1 34 19 30 o 1.990000       1.142000      213.2100      15.8   
1 1 1 34 19 31 o 2.676000       1.117000      110.7670      4.7    
1 1 1 34 19 32 o 3.461000       1.160000      140.7523      65.0   
1 1 1 34 19 33 o -0.6683000     1.240000      42.23161      67.3   
1 1 1 34 19 34 o 2.810000       1.320000      181.5260      154.3  
1 1 1 34 19 35 o 2.136000       1.179000      ?             ?      
1 1 1 34 19 36 o 4.282000       1.115000      ?             ?      
1 1 1 34 19 37 o 0.8565000      1.046000      ?             ?      
1 1 1 34 19 38 f 0.6305000      1.041000      ?             ?      
1 1 1 34 19 39 o 0.9824000      1.036000      ?             ?      
1 1 1 34 19 40 o 0.8450000      1.029000      ?             ?      
1 1 1 34 19 41 o 0.2442000      1.013000      ?             ?      
1 1 1 34 19 42 o 0.6939000      1.010000      ?             ?      
1 1 1 34 19 43 o 2.356000       1.017000      ?             ?      
1 1 1 34 19 44 o 0.2415000      1.022000      ?             ?      
1 1 1 34 19 45 o -1.317000      1.016000      ?             ?      
1 1 1 34 19 46 o -0.2381000E-02 1.267000      ?             ?      
1 1 1 34 19 47 o -0.2311000     1.285000      ?             ?      
1 1 1 34 19 48 o 0.4953000      1.351000      ?             ?      
1 1 1 34 19 49 o 0.7605000      1.169000      ?             ?      
1 1 1 34 19 50 o 1.092000       1.087000      ?             ?      
1 1 1 34 19 51 o 0.9112000      1.092000      ?             ?      
1 1 1 34 19 52 o 0.6638000      1.418000      ?             ?      
1 1 1 34 19 53 o 0.5563000E-01  1.810000      ?             ?      
1 1 1 34 19 54 o 1.938000       1.388000      ?             ?      
1 1 1 34 19 55 o 0.4671000E-01  1.228000      ?             ?      
1 1 1 34 19 56 o 2.098000       1.184000      ?             ?      
1 1 1 34 19 57 o 1.439000       1.202000      ?             ?      
1 1 1 34 20 0  o 0.6938000      1.828000      2.163627      -0.0   
1 1 1 34 20 1  o 8.686000       1.680000      309.3025      84.2   
1 1 1 34 20 2  o -0.2567000     1.989000      70.72633      1.5    
1 1 1 34 20 3  o 8.728000       1.825000      312.9543      133.7  
1 1 1 34 20 4  o 3.565000       1.152000      304.0782      168.2  
1 1 1 34 20 5  o 1.790000       1.073000      280.0792      102.0  
1 1 1 34 20 6  o -0.5879000     1.065000      51.69669      -37.5  
1 1 1 34 20 7  o 6.941000       1.158000      389.1533      -71.1  
1 1 1 34 20 8  o 1.318000       1.049000      211.4785      -174.8 
1 1 1 34 20 9  o 1.103000       1.032000      59.52821      -161.7 
1 1 1 34 20 10 o 3.147000       1.036000      248.1503      -99.8  
1 1 1 34 20 11 o 2.131000       1.071000      94.16879      79.5   
1 1 1 34 20 12 o 4.844000       1.115000      351.7854      100.2  
1 1 1 34 20 13 o 3.347000       1.188000      210.6140      73.7   
1 1 1 34 20 14 o 1.948000       1.198000      78.30750      -157.8 
1 1 1 34 20 15 o 3.446000       1.163000      232.0859      113.3  
1 1 1 34 20 16 o 9.786000       1.255000      372.8163      175.4  
1 1 1 34 20 17 o 1.507000       1.184000      180.5779      -7.6   
1 1 1 34 20 18 o 0.7600000      1.167000      24.53526      -47.6  
1 1 1 34 20 19 o 1.076000       1.156000      54.47986      112.9  
1 1 1 34 20 20 o -0.9514000     1.151000      112.1749      98.4   
1 1 1 34 20 21 o 0.9418000E-01  1.155000      72.97508      164.6  
1 1 1 34 20 22 o 0.5402000      1.184000      133.9473      52.7   
1 1 1 34 20 23 o 2.999000       1.287000      134.8053      -45.1  
1 1 1 34 20 24 o 11.17000       1.526000      403.8282      -148.4 
1 1 1 34 20 25 o 8.557000       1.456000      253.9473      -121.6 
1 1 1 34 20 26 o -1.307000      1.315000      103.9929      1.8    
1 1 1 34 20 27 o -0.1311000     1.293000      89.65004      -42.3  
1 1 1 34 20 28 o 1.070000       1.293000      117.0959      -95.3  
1 1 1 34 20 29 o 0.5324000      1.145000      154.1526      -161.7 
1 1 1 34 20 30 o 0.1734000E-01  1.103000      96.84473      151.8  
1 1 1 34 20 31 o 1.869000       1.145000      118.7363      89.0   
1 1 1 34 20 32 o 2.215000       1.159000      164.1897      0.6    
1 1 1 34 20 33 o 2.929000       1.349000      210.5179      137.3  
1 1 1 34 20 34 o 2.217000       1.325000      ?             ?      
1 1 1 34 20 35 o -1.159000      1.094000      ?             ?      
1 1 1 34 20 36 o 0.2697000      1.045000      ?             ?      
1 1 1 34 20 37 o 3.378000       1.033000      ?             ?      
1 1 1 34 20 38 o -0.5981000E-01 1.025000      ?             ?      
1 1 1 34 20 39 o 1.311000       1.029000      ?             ?      
1 1 1 34 20 40 o 0.8032000      1.036000      ?             ?      
1 1 1 34 20 41 o 0.7627000      1.013000      ?             ?      
1 1 1 34 20 42 o 0.1905000      0.9992000     ?             ?      
1 1 1 34 20 43 o 1.140000       0.9985000     ?             ?      
1 1 1 34 20 44 o 1.518000       1.026000      ?             ?      
1 1 1 34 20 45 o 2.079000       1.037000      ?             ?      
1 1 1 34 20 46 o 0.8160000E-01  1.043000      ?             ?      
1 1 1 34 20 47 o 4.453000       1.313000      ?             ?      
1 1 1 34 20 48 o 2.361000       1.357000      ?             ?      
1 1 1 34 20 49 o -0.6813000     1.112000      ?             ?      
1 1 1 34 20 50 o 0.4496000      1.126000      ?             ?      
1 1 1 34 20 51 o -1.085000      1.232000      ?             ?      
1 1 1 34 20 52 o -1.265000      1.257000      ?             ?      
1 1 1 34 20 53 o -1.430000      1.355000      ?             ?      
1 1 1 34 20 54 o -0.7363000     1.322000      ?             ?      
1 1 1 34 20 55 o -1.749000      1.248000      ?             ?      
1 1 1 34 20 56 o -0.5153000E-01 1.635000      ?             ?      
1 1 1 34 21 0  o 4.951000       1.892000      128.8540      0.0    
1 1 1 34 21 1  o -0.9681000E-01 1.292000      139.6810      119.0  
1 1 1 34 21 2  o 13.18000       1.659000      518.3777      178.2  
1 1 1 34 21 3  o 3.419000       1.385000      271.4228      117.4  
1 1 1 34 21 4  o -1.060000      1.292000      51.65079      120.1  
1 1 1 34 21 5  o 1.769000       1.481000      59.64124      135.0  
1 1 1 34 21 6  o -0.6941000     1.208000      170.2184      126.5  
1 1 1 34 21 7  o 0.4610000      1.098000      48.83633      69.5   
1 1 1 34 21 8  o 0.5743000      1.010000      93.79179      12.5   
1 1 1 34 21 9  o 3.253000       1.036000      243.1744      146.6  
1 1 1 34 21 10 o 2.100000       1.053000      205.1922      -4.8   
1 1 1 34 21 11 o 13.40000       1.170000      419.3056      -110.4 
1 1 1 34 21 12 o 9.603000       1.122000      324.2570      -135.6 
1 1 1 34 21 13 o 1.726000       1.059000      178.6481      -123.0 
1 1 1 34 21 14 o 1.420000       1.058000      94.22952      20.8   
1 1 1 34 21 15 o 2.560000       1.219000      201.1358      -90.4  
1 1 1 34 21 16 o -1.071000      1.323000      65.73223      158.1  
1 1 1 34 21 17 o 8.486000       1.378000      388.2493      -55.5  
1 1 1 34 21 18 o -0.1312000     1.151000      63.19862      174.2  
1 1 1 34 21 19 o 0.2882000      1.202000      171.0614      -102.7 
1 1 1 34 21 20 o 1.965000       1.211000      165.9072      -124.6 
1 1 1 34 21 21 o -1.141000      1.191000      138.8845      61.4   
1 1 1 34 21 22 o 12.49000       1.313000      465.2045      -59.6  
1 1 1 34 21 23 o 9.702000       1.369000      323.5595      -66.6  
1 1 1 34 21 24 o 3.852000       1.356000      233.3627      -38.6  
1 1 1 34 21 25 o 1.566000       1.431000      126.7311      79.3   
1 1 1 34 21 26 o -0.1991000     1.304000      124.8809      -127.8 
1 1 1 34 21 27 o -0.3139000     1.291000      105.4152      -175.4 
1 1 1 34 21 28 o -0.1818000     1.278000      57.29704      -91.4  
1 1 1 34 21 29 o 0.8586000      1.271000      49.01021      40.4   
1 1 1 34 21 30 o -1.269000      1.099000      131.8338      -63.8  
1 1 1 34 21 31 o -0.3296000     1.132000      30.00382      77.9   
1 1 1 34 21 32 o 0.5568000      1.335000      135.4364      56.6   
1 1 1 34 21 33 o -0.4542000     1.287000      ?             ?      
1 1 1 34 21 34 o -0.1010000     1.147000      ?             ?      
1 1 1 34 21 35 o -0.6798000     1.067000      ?             ?      
1 1 1 34 21 36 o 0.6904000      1.032000      ?             ?      
1 1 1 34 21 37 o 1.357000       1.013000      ?             ?      
1 1 1 34 21 38 o -0.5747000     1.004000      ?             ?      
1 1 1 34 21 39 o -0.2518000     1.011000      ?             ?      
1 1 1 34 21 40 o -1.682000      1.014000      ?             ?      
1 1 1 34 21 41 f -1.177000      1.003000      ?             ?      
1 1 1 34 21 42 o 1.446000       1.011000      ?             ?      
1 1 1 34 21 43 o 1.422000       1.003000      ?             ?      
1 1 1 34 21 44 o 0.8173000      1.011000      ?             ?      
1 1 1 34 21 45 o -0.7233000     1.012000      ?             ?      
1 1 1 34 21 46 o 1.694000       1.025000      ?             ?      
1 1 1 34 21 47 o -2.001000      1.257000      ?             ?      
1 1 1 34 21 48 o -0.2458000     1.269000      ?             ?      
1 1 1 34 21 49 o -0.8671000     1.125000      ?             ?      
1 1 1 34 21 50 o 1.311000       1.131000      ?             ?      
1 1 1 34 21 51 o 0.1387000      1.175000      ?             ?      
1 1 1 34 21 52 o 1.567000       1.442000      ?             ?      
1 1 1 34 21 53 o 0.3703000E-01  1.369000      ?             ?      
1 1 1 34 21 54 o -0.3870000     1.257000      ?             ?      
1 1 1 34 21 55 o 0.9661000      1.250000      ?             ?      
1 1 1 34 21 56 o -0.5218000     1.263000      ?             ?      
1 1 1 34 22 0  o -0.4486000     1.778000      64.79938      180.0  
1 1 1 34 22 1  o 0.5071000      1.201000      173.5388      138.9  
1 1 1 34 22 2  o 3.477000       1.253000      138.0678      -177.6 
1 1 1 34 22 3  o 0.9800000      1.348000      257.8043      -166.4 
1 1 1 34 22 4  o 0.7705000      1.165000      261.8535      130.4  
1 1 1 34 22 5  o -1.701000      1.053000      127.1388      56.3   
1 1 1 34 22 6  o -0.4046000     1.083000      91.35497      -77.3  
1 1 1 34 22 7  o 0.4529000      1.299000      207.9103      -137.1 
1 1 1 34 22 8  o 2.418000       1.290000      104.1423      123.0  
1 1 1 34 22 9  o -0.7187000     1.123000      65.08068      -121.4 
1 1 1 34 22 10 o -1.864000      1.050000      73.22517      159.6  
1 1 1 34 22 11 o -0.8397000     1.051000      138.7490      86.9   
1 1 1 34 22 12 o 3.936000       1.095000      262.5807      91.3   
1 1 1 34 22 13 o 1.938000       1.078000      180.7620      -144.9 
1 1 1 34 22 14 o 2.414000       1.055000      82.31982      172.4  
1 1 1 34 22 15 o 2.630000       1.061000      182.9294      107.5  
1 1 1 34 22 16 o 2.919000       1.151000      213.3627      53.9   
1 1 1 34 22 17 o 2.039000       1.158000      266.8981      -62.0  
1 1 1 34 22 18 o 1.424000       1.179000      88.88214      -56.7  
1 1 1 34 22 19 o 0.8047000      1.332000      105.2118      92.1   
1 1 1 34 22 20 o 2.162000       1.348000      131.6450      -170.3 
1 1 1 34 22 21 o 5.221000       1.252000      275.7703      89.7   
1 1 1 34 22 22 o -0.7805000     1.279000      99.84959      81.0   
1 1 1 34 22 23 o 3.403000       1.389000      206.8819      8.1    
1 1 1 34 22 24 o 5.362000       1.334000      288.4144      -160.4 
1 1 1 34 22 25 o 1.428000       1.417000      61.20353      34.1   
1 1 1 34 22 26 o 0.5230000      1.399000      29.44095      -3.4   
1 1 1 34 22 27 o 1.003000       1.270000      34.01377      -47.0  
1 1 1 34 22 28 o -0.2779000     1.282000      81.22306      -160.2 
1 1 1 34 22 29 o -1.470000      1.286000      69.83222      -145.3 
1 1 1 34 22 30 o 4.352000       1.320000      182.1408      -0.1   
1 1 1 34 22 31 o 2.523000       1.178000      303.6512      66.4   
1 1 1 34 22 32 o 1.032000       1.308000      ?             ?      
1 1 1 34 22 33 o 4.548000       1.346000      ?             ?      
1 1 1 34 22 34 o 0.5285000      1.077000      ?             ?      
1 1 1 34 22 35 o 0.5971000      1.027000      ?             ?      
1 1 1 34 22 36 o 0.9878000      1.015000      ?             ?      
1 1 1 34 22 37 o -0.7086000     1.006000      ?             ?      
1 1 1 34 22 38 o 0.7940000E-01  1.013000      ?             ?      
1 1 1 34 22 39 o -0.8258000E-01 1.007000      ?             ?      
1 1 1 34 22 40 o 1.294000       1.007000      ?             ?      
1 1 1 34 22 41 o 0.8506000      1.025000      ?             ?      
1 1 1 34 22 42 o 0.6876000      1.009000      ?             ?      
1 1 1 34 22 43 o 1.130000       1.007000      ?             ?      
1 1 1 34 22 44 o 0.7878000      0.9956000     ?             ?      
1 1 1 34 22 45 o -1.329000      0.9852000     ?             ?      
1 1 1 34 22 46 o 0.8322000      1.001000      ?             ?      
1 1 1 34 22 47 o -0.4382000E-01 1.244000      ?             ?      
1 1 1 34 22 48 o 0.5684000      1.254000      ?             ?      
1 1 1 34 22 49 o -0.4876000     1.305000      ?             ?      
1 1 1 34 22 50 o 0.3230000      1.175000      ?             ?      
1 1 1 34 22 51 o -0.1264000     1.192000      ?             ?      
1 1 1 34 22 52 o -0.1156000     1.158000      ?             ?      
1 1 1 34 22 53 o 0.9133000      1.164000      ?             ?      
1 1 1 34 22 54 o -0.4160000     1.247000      ?             ?      
1 1 1 34 22 55 o 1.990000       1.621000      ?             ?      
1 1 1 34 23 0  o -0.3351000E-01 1.815000      76.95051      180.0  
1 1 1 34 23 1  o 1.101000       1.202000      145.6174      -108.0 
1 1 1 34 23 2  o 2.844000       1.362000      159.9220      144.7  
1 1 1 34 23 3  o 1.221000       1.342000      30.16340      134.4  
1 1 1 34 23 4  o 1.238000       1.147000      79.19736      -98.4  
1 1 1 34 23 5  o 0.2483000      1.145000      104.7064      135.2  
1 1 1 34 23 6  o 4.884000       1.253000      244.1140      94.3   
1 1 1 34 23 7  o -0.9985000     1.059000      87.86212      -162.3 
1 1 1 34 23 8  o -0.6374000     1.043000      75.27028      -143.2 
1 1 1 34 23 9  o 1.194000       1.168000      152.5474      108.9  
1 1 1 34 23 10 o 4.031000       1.215000      281.5866      -60.8  
1 1 1 34 23 11 o 2.743000       1.291000      242.4616      -110.5 
1 1 1 34 23 12 o 0.2594000E-01  1.143000      160.6748      42.1   
1 1 1 34 23 13 o -0.1807000     1.059000      110.4794      -140.1 
1 1 1 34 23 14 o -0.9572000     1.063000      33.57396      -79.8  
1 1 1 34 23 15 o -1.162000      1.079000      50.05559      -21.2  
1 1 1 34 23 16 o 2.371000       1.161000      156.6734      7.7    
1 1 1 34 23 17 o 1.839000       1.179000      202.1246      -70.0  
1 1 1 34 23 18 o 2.763000       1.183000      175.2829      136.9  
1 1 1 34 23 19 f 1.027000       1.183000      150.5191      -135.9 
1 1 1 34 23 20 o 0.6570000      1.204000      106.4399      172.1  
1 1 1 34 23 21 o -0.3463000     1.392000      69.51448      -105.6 
1 1 1 34 23 22 o 1.707000       1.547000      177.6733      -105.8 
1 1 1 34 23 23 o 10.32000       1.453000      432.3734      -66.8  
1 1 1 34 23 24 o 2.718000       1.329000      217.9359      67.8   
1 1 1 34 23 25 o -2.791000      1.319000      71.70213      -106.4 
1 1 1 34 23 26 o 3.257000       1.641000      156.5739      -145.6 
1 1 1 34 23 27 o -1.421000      1.282000      88.82464      62.9   
1 1 1 34 23 28 o -0.9717000     1.277000      39.90033      15.6   
1 1 1 34 23 29 o -0.4016000     1.305000      74.97693      141.2  
1 1 1 34 23 30 o 2.526000       1.409000      77.77863      130.4  
1 1 1 34 23 31 o 0.2486000      1.360000      ?             ?      
1 1 1 34 23 32 o 0.2721000      1.276000      ?             ?      
1 1 1 34 23 33 o 0.6575000      1.108000      ?             ?      
1 1 1 34 23 34 o -0.3860000     1.061000      ?             ?      
1 1 1 34 23 35 o 0.5404000      1.012000      ?             ?      
1 1 1 34 23 36 o -0.3494000E-01 1.006000      ?             ?      
1 1 1 34 23 37 o 0.1143000      1.001000      ?             ?      
1 1 1 34 23 38 o 2.030000       1.018000      ?             ?      
1 1 1 34 23 39 o 1.653000       1.017000      ?             ?      
1 1 1 34 23 40 o 1.651000       0.9971000     ?             ?      
1 1 1 34 23 41 o 1.307000       0.9992000     ?             ?      
1 1 1 34 23 42 o 0.3938000      0.9942000     ?             ?      
1 1 1 34 23 43 o 1.034000       0.9847000     ?             ?      
1 1 1 34 23 44 o -0.4702000     0.9981000     ?             ?      
1 1 1 34 23 45 o 1.580000       0.9959000     ?             ?      
1 1 1 34 23 46 o 0.9285000      0.9901000     ?             ?      
1 1 1 34 23 47 o 0.4199000      1.023000      ?             ?      
1 1 1 34 23 48 o -0.5258000E-01 1.229000      ?             ?      
1 1 1 34 23 49 o 1.075000       1.323000      ?             ?      
1 1 1 34 23 50 o 0.3883000      1.301000      ?             ?      
1 1 1 34 23 51 o -2.656000      1.534000      ?             ?      
1 1 1 34 23 52 o 0.9352000      1.168000      ?             ?      
1 1 1 34 23 53 o 0.9991000      1.082000      ?             ?      
1 1 1 34 23 54 o 0.2671000      1.262000      ?             ?      
1 1 1 34 23 55 o -0.3961000     1.362000      ?             ?      
1 1 1 34 24 0  o -3.958000      1.859000      84.63142      -0.0   
1 1 1 34 24 1  o 2.681000       1.220000      280.7025      165.4  
1 1 1 34 24 2  o -1.869000      1.345000      67.94403      56.0   
1 1 1 34 24 3  o 2.074000       1.393000      271.6786      170.7  
1 1 1 34 24 4  o 2.541000       1.346000      235.5735      116.9  
1 1 1 34 24 5  o 2.233000       1.198000      224.9017      -102.4 
1 1 1 34 24 6  o 2.887000       1.235000      182.4141      -84.2  
1 1 1 34 24 7  o 0.5119000E-01  1.053000      29.14648      -176.9 
1 1 1 34 24 8  o -2.091000      1.053000      45.57097      -121.6 
1 1 1 34 24 9  o -1.459000      1.082000      72.68822      -107.4 
1 1 1 34 24 10 o 6.371000       1.137000      322.6158      145.3  
1 1 1 34 24 11 o 0.2122000      1.072000      125.9965      82.3   
1 1 1 34 24 12 o 0.7283000      1.140000      80.73121      125.2  
1 1 1 34 24 13 o 1.173000       1.181000      131.5088      -129.3 
1 1 1 34 24 14 o 4.243000       1.226000      259.3771      32.8   
1 1 1 34 24 15 o 1.503000       1.205000      131.9818      -6.1   
1 1 1 34 24 16 o 1.781000       1.194000      265.2843      24.3   
1 1 1 34 24 17 o 3.311000       1.199000      194.7781      -116.0 
1 1 1 34 24 18 o -0.5589000     1.180000      44.14342      -19.0  
1 1 1 34 24 19 o 1.607000       1.197000      151.3700      -142.5 
1 1 1 34 24 20 o 3.138000       1.222000      304.9008      -79.3  
1 1 1 34 24 21 o 2.120000       1.238000      189.1052      11.1   
1 1 1 34 24 22 o 5.997000       1.369000      313.5637      21.2   
1 1 1 34 24 23 o 1.629000       1.329000      153.0319      139.7  
1 1 1 34 24 24 o -0.1037000     1.486000      115.6393      -147.5 
1 1 1 34 24 25 o 1.419000       1.474000      163.2325      -87.7  
1 1 1 34 24 26 o -0.2187000     1.268000      137.3961      66.3   
1 1 1 34 24 27 o 0.7766000      1.555000      142.0844      52.2   
1 1 1 34 24 28 o -2.400000      1.410000      48.64068      -131.8 
1 1 1 34 24 29 o 1.475000       1.485000      73.55492      -130.5 
1 1 1 34 24 30 o -0.2187000     1.400000      ?             ?      
1 1 1 34 24 31 o 2.713000       1.541000      ?             ?      
1 1 1 34 24 32 o 1.376000       1.312000      ?             ?      
1 1 1 34 24 33 o 1.854000       1.105000      ?             ?      
1 1 1 34 24 34 o -1.103000      1.026000      ?             ?      
1 1 1 34 24 35 o -0.1036000     1.009000      ?             ?      
1 1 1 34 24 36 o 0.8483000      0.9998000     ?             ?      
1 1 1 34 24 37 o 1.028000       0.9983000     ?             ?      
1 1 1 34 24 38 o -0.7860000     0.9945000     ?             ?      
1 1 1 34 24 39 o 1.484000       1.002000      ?             ?      
1 1 1 34 24 40 o -0.1913000E-01 0.9896000     ?             ?      
1 1 1 34 24 41 o 0.5860000      0.9834000     ?             ?      
1 1 1 34 24 42 o 1.654000       0.9917000     ?             ?      
1 1 1 34 24 43 o 0.7043000E-01  0.9827000     ?             ?      
1 1 1 34 24 44 o -2.578000      0.9873000     ?             ?      
1 1 1 34 24 45 o 0.4434000      0.9984000     ?             ?      
1 1 1 34 24 46 o 0.4144000      0.9847000     ?             ?      
1 1 1 34 24 47 f 1.047000       0.9997000     ?             ?      
1 1 1 34 24 48 o -0.6731000     1.230000      ?             ?      
1 1 1 34 24 49 o 0.8963000      1.429000      ?             ?      
1 1 1 34 24 50 o 0.4176000      1.341000      ?             ?      
1 1 1 34 24 51 o -1.999000      1.268000      ?             ?      
1 1 1 34 24 52 o 0.6381000      1.118000      ?             ?      
1 1 1 34 24 53 o 2.282000       1.224000      ?             ?      
1 1 1 34 24 54 o -0.1084000     1.173000      ?             ?      
1 1 1 34 25 0  o 4.292000       1.565000      384.6223      180.0  
1 1 1 34 25 1  o 0.3547000      1.227000      115.0679      116.4  
1 1 1 34 25 2  o 1.224000       1.374000      170.9768      -122.5 
1 1 1 34 25 3  o -0.5045000     1.341000      68.42644      -99.8  
1 1 1 34 25 4  o 1.613000       1.354000      150.9458      -45.3  
1 1 1 34 25 5  o 0.2150000      1.204000      156.6452      89.2   
1 1 1 34 25 6  o -1.224000      1.115000      142.9268      -0.7   
1 1 1 34 25 7  o -1.211000      1.124000      91.99225      15.8   
1 1 1 34 25 8  o -1.527000      1.089000      132.6261      37.0   
1 1 1 34 25 9  o 3.281000       1.086000      171.7401      -116.3 
1 1 1 34 25 10 o 2.284000       1.088000      219.3388      -32.1  
1 1 1 34 25 11 o 0.1391000      1.056000      83.69536      -2.1   
1 1 1 34 25 12 o 1.377000       1.075000      241.3118      68.3   
1 1 1 34 25 13 o 1.874000       1.107000      182.8374      139.0  
1 1 1 34 25 14 o -0.1978000     1.111000      90.39222      83.4   
1 1 1 34 25 15 o 2.624000       1.214000      199.8912      107.6  
1 1 1 34 25 16 o 0.6119000      1.537000      181.3204      -1.7   
1 1 1 34 25 17 o 1.147000       1.371000      214.8485      101.9  
1 1 1 34 25 18 o 2.003000       1.253000      148.8128      92.2   
1 1 1 34 25 19 o -0.1136000E-01 1.194000      155.5080      10.2   
1 1 1 34 25 20 o 2.173000       1.198000      12.84203      -100.3 
1 1 1 34 25 21 o -0.4668000     1.204000      36.87640      82.7   
1 1 1 34 25 22 o -2.602000      1.311000      41.53485      -104.8 
1 1 1 34 25 23 o -0.6520000E-01 1.303000      119.5935      -59.4  
1 1 1 34 25 24 o 1.020000       1.284000      139.8855      25.0   
1 1 1 34 25 25 o -0.3413000     1.268000      109.9981      -161.0 
1 1 1 34 25 26 o 1.743000       1.261000      172.9295      94.8   
1 1 1 34 25 27 o 3.418000       1.477000      182.5791      146.6  
1 1 1 34 25 28 o -2.428000      1.726000      76.29386      -165.2 
1 1 1 34 25 29 o 0.5353000      1.433000      ?             ?      
1 1 1 34 25 30 o 0.5278000      1.590000      ?             ?      
1 1 1 34 25 31 o -1.016000      1.482000      ?             ?      
1 1 1 34 25 32 o 2.038000       1.447000      ?             ?      
1 1 1 34 25 33 o 0.6341000      1.103000      ?             ?      
1 1 1 34 25 34 o 0.8184000      1.025000      ?             ?      
1 1 1 34 25 35 o 0.2417000      0.9983000     ?             ?      
1 1 1 34 25 36 o 1.512000       0.9935000     ?             ?      
1 1 1 34 25 37 o 1.016000       0.9961000     ?             ?      
1 1 1 34 25 38 o -0.3171000     0.9887000     ?             ?      
1 1 1 34 25 39 o 1.450000       0.9945000     ?             ?      
1 1 1 34 25 40 o -0.5747000     0.9780000     ?             ?      
1 1 1 34 25 41 o -0.2659000     0.9791000     ?             ?      
1 1 1 34 25 42 o 0.4385000      0.9776000     ?             ?      
1 1 1 34 25 43 o -0.4036000     0.9843000     ?             ?      
1 1 1 34 25 44 o 0.8429000      0.9897000     ?             ?      
1 1 1 34 25 45 o -0.2106000     0.9872000     ?             ?      
1 1 1 34 25 46 o 0.8586000      1.001000      ?             ?      
1 1 1 34 25 47 o -0.6244000     1.016000      ?             ?      
1 1 1 34 25 48 o -0.5528000     1.252000      ?             ?      
1 1 1 34 25 49 o 0.7736000      1.467000      ?             ?      
1 1 1 34 25 50 o -0.8925000     1.663000      ?             ?      
1 1 1 34 25 51 o -1.389000      1.437000      ?             ?      
1 1 1 34 25 52 o -0.5999000     1.126000      ?             ?      
1 1 1 34 25 53 o -0.7657000E-01 1.169000      ?             ?      
1 1 1 34 25 54 o -1.648000      1.478000      ?             ?      
1 1 1 34 26 0  o 1.130000       1.479000      91.72853      180.0  
1 1 1 34 26 1  o 1.455000       1.371000      191.6488      -69.8  
1 1 1 34 26 2  o 1.610000       1.411000      223.7720      100.9  
1 1 1 34 26 3  o -1.371000      1.361000      120.8328      76.5   
1 1 1 34 26 4  o 1.645000       1.372000      161.2745      -174.6 
1 1 1 34 26 5  o 0.7885000      1.202000      166.2091      179.2  
1 1 1 34 26 6  o 0.3142000      1.123000      158.8937      140.1  
1 1 1 34 26 7  o -0.8248000     1.150000      97.26670      58.9   
1 1 1 34 26 8  o 3.399000       1.090000      134.0177      -127.3 
1 1 1 34 26 9  o 2.460000       1.093000      219.2578      106.3  
1 1 1 34 26 10 o 0.8839000      1.077000      59.90330      -86.3  
1 1 1 34 26 11 o 1.051000       1.080000      124.9264      96.7   
1 1 1 34 26 12 o 0.8597000      1.084000      192.6189      -142.1 
1 1 1 34 26 13 o -2.960000      1.080000      106.8507      -129.8 
1 1 1 34 26 14 o 0.5244000      1.085000      96.09245      -115.1 
1 1 1 34 26 15 o -0.5325000     1.108000      56.32022      -78.6  
1 1 1 34 26 16 o 1.474000       1.244000      171.8448      167.5  
1 1 1 34 26 17 o 0.1557000E-01  1.268000      48.73409      109.3  
1 1 1 34 26 18 o 1.664000       1.419000      162.7902      144.3  
1 1 1 34 26 19 o -0.2861000E-01 1.570000      87.15893      -108.0 
1 1 1 34 26 20 o 2.402000       1.415000      162.8118      -29.8  
1 1 1 34 26 21 o 0.5284000      1.212000      167.0088      4.5    
1 1 1 34 26 22 o -1.473000      1.293000      46.29002      149.6  
1 1 1 34 26 23 o -0.2653000     1.310000      121.8504      -169.7 
1 1 1 34 26 24 o -0.5807000     1.282000      110.5985      -77.4  
1 1 1 34 26 25 o -1.268000      1.256000      49.33251      -136.5 
1 1 1 34 26 26 o 1.471000       1.262000      65.60947      146.9  
1 1 1 34 26 27 o 0.9228000      1.284000      52.75733      7.4    
1 1 1 34 26 28 o 1.031000       1.410000      ?             ?      
1 1 1 34 26 29 o -2.844000      1.457000      ?             ?      
1 1 1 34 26 30 o -1.092000      1.599000      ?             ?      
1 1 1 34 26 31 o -1.248000      1.587000      ?             ?      
1 1 1 34 26 32 o -0.6379000     1.382000      ?             ?      
1 1 1 34 26 33 o 1.583000       1.118000      ?             ?      
1 1 1 34 26 34 o -1.024000      1.107000      ?             ?      
1 1 1 34 26 35 o -0.7644000     1.084000      ?             ?      
1 1 1 34 26 36 o 0.9378000      0.9967000     ?             ?      
1 1 1 34 26 37 o -0.9319000E-01 0.9925000     ?             ?      
1 1 1 34 26 38 o 0.5936000      0.9911000     ?             ?      
1 1 1 34 26 39 o -0.9881000     0.9797000     ?             ?      
1 1 1 34 26 40 o -1.087000      0.9847000     ?             ?      
1 1 1 34 26 41 o 1.473000       0.9969000     ?             ?      
1 1 1 34 26 42 o -0.9598000     0.9854000     ?             ?      
1 1 1 34 26 43 o 0.4406000      0.9803000     ?             ?      
1 1 1 34 26 44 o -0.7840000     0.9824000     ?             ?      
1 1 1 34 26 45 o 0.6615000      1.006000      ?             ?      
1 1 1 34 26 46 o -0.4684000     1.009000      ?             ?      
1 1 1 34 26 47 o -0.4181000     1.017000      ?             ?      
1 1 1 34 26 48 o 0.6183000      1.385000      ?             ?      
1 1 1 34 26 49 o 0.7526000      2.315000      ?             ?      
1 1 1 34 26 50 o -0.4810000     1.672000      ?             ?      
1 1 1 34 26 51 o 0.9183000      1.296000      ?             ?      
1 1 1 34 26 52 o -0.3145000E-01 1.153000      ?             ?      
1 1 1 34 26 53 o 1.147000       1.120000      ?             ?      
1 1 1 34 27 0  o -0.7905000     1.528000      99.01633      180.0  
1 1 1 34 27 1  o 2.694000       1.419000      197.8360      167.1  
1 1 1 34 27 2  o 4.686000       1.440000      207.7511      -89.2  
1 1 1 34 27 3  o 0.4963000      1.421000      187.1369      -89.8  
1 1 1 34 27 4  o 1.151000       1.438000      175.7193      -83.0  
1 1 1 34 27 5  o -0.1357000     1.229000      85.24323      154.0  
1 1 1 34 27 6  o 0.3879000      1.146000      68.15105      -5.1   
1 1 1 34 27 7  o 1.312000       1.121000      148.5217      36.4   
1 1 1 34 27 8  o -0.7356000     1.155000      84.54852      106.4  
1 1 1 34 27 9  o 0.9169000      1.064000      98.63589      -57.8  
1 1 1 34 27 10 o -0.5878000E-01 1.079000      71.21260      -61.5  
1 1 1 34 27 11 o 0.8357000      1.097000      192.2423      -14.9  
1 1 1 34 27 12 o 0.8905000      1.100000      73.48680      155.0  
1 1 1 34 27 13 o 1.597000       1.109000      139.3138      -34.2  
1 1 1 34 27 14 o 0.6313000      1.961000      73.22906      -87.4  
1 1 1 34 27 15 o -0.2052000     1.121000      74.74886      -170.9 
1 1 1 34 27 16 o 0.6382000E-01  1.146000      98.74605      115.3  
1 1 1 34 27 17 o -0.4113000     1.255000      39.85003      93.1   
1 1 1 34 27 18 o -1.185000      1.269000      25.75336      -51.5  
1 1 1 34 27 19 o 1.629000       1.282000      68.09996      -85.9  
1 1 1 34 27 20 o 0.4891000      1.263000      60.21675      5.6    
1 1 1 34 27 21 o 0.4307000      1.363000      125.4723      81.4   
1 1 1 34 27 22 o 0.8621000      1.487000      76.04190      26.8   
1 1 1 34 27 23 o 1.756000       1.486000      137.4876      -57.8  
1 1 1 34 27 24 o 0.1944000      1.316000      113.8312      -34.9  
1 1 1 34 27 25 o -0.5765000     1.280000      90.02499      175.7  
1 1 1 34 27 26 o 0.9629000      1.278000      ?             ?      
1 1 1 34 27 27 o 0.5584000      1.411000      ?             ?      
1 1 1 34 27 28 o 0.7779000      1.383000      ?             ?      
1 1 1 34 27 29 o -0.1655000     1.389000      ?             ?      
1 1 1 34 27 30 o -0.3252000     1.486000      ?             ?      
1 1 1 34 27 31 o -0.3089000     1.482000      ?             ?      
1 1 1 34 27 32 o -0.8338000     1.346000      ?             ?      
1 1 1 34 27 33 o -0.9884000E-01 1.351000      ?             ?      
1 1 1 34 27 34 o -0.7787000     1.084000      ?             ?      
1 1 1 34 27 35 o 0.5175000      1.020000      ?             ?      
1 1 1 34 27 36 o -0.1594000     1.006000      ?             ?      
1 1 1 34 27 37 o -0.4213000     1.079000      ?             ?      
1 1 1 34 27 38 o -0.2839000     1.067000      ?             ?      
1 1 1 34 27 39 o -0.3750000     0.9775000     ?             ?      
1 1 1 34 27 40 o 0.7187000      0.9927000     ?             ?      
1 1 1 34 27 41 o 2.574000       1.002000      ?             ?      
1 1 1 34 27 42 o -0.4184000     0.9896000     ?             ?      
1 1 1 34 27 43 o 0.3080000      0.9876000     ?             ?      
1 1 1 34 27 44 o 0.5769000      0.9979000     ?             ?      
1 1 1 34 27 45 o 0.6321000      0.9994000     ?             ?      
1 1 1 34 27 46 o -0.4020000E-01 1.008000      ?             ?      
1 1 1 34 27 47 o 0.2137000      1.208000      ?             ?      
1 1 1 34 27 48 o -0.2637000E-02 1.232000      ?             ?      
1 1 1 34 27 49 o -1.461000      1.576000      ?             ?      
1 1 1 34 27 50 o 0.3315000      1.456000      ?             ?      
1 1 1 34 27 51 o -1.815000      1.135000      ?             ?      
1 1 1 34 27 52 o 0.5781000      1.163000      ?             ?      
1 1 1 34 28 0  o 0.3081000      1.554000      142.5683      -0.0   
1 1 1 34 28 1  o -1.682000      1.447000      78.31670      12.9   
1 1 1 34 28 2  o 2.125000       1.428000      25.61264      -9.5   
1 1 1 34 28 3  o -0.2609000     1.443000      215.4765      6.8    
1 1 1 34 28 4  o 1.831000       1.460000      160.7971      174.3  
1 1 1 34 28 5  o 0.2480000      1.156000      145.5828      143.4  
1 1 1 34 28 6  o 1.233000       1.130000      88.42162      148.3  
1 1 1 34 28 7  o -0.9044000     1.121000      58.92696      19.8   
1 1 1 34 28 8  o -0.8271000     1.164000      29.75046      98.3   
1 1 1 34 28 9  o -0.1291000     1.150000      85.77406      89.6   
1 1 1 34 28 10 o 0.9118000      1.097000      109.2521      -15.0  
1 1 1 34 28 11 o 1.577000       1.122000      126.9767      94.2   
1 1 1 34 28 12 o -0.1600000     1.110000      32.68367      139.7  
1 1 1 34 28 13 o 0.7814000      1.132000      127.2837      -19.9  
1 1 1 34 28 14 o -0.6427000     1.134000      46.99901      -58.4  
1 1 1 34 28 15 o 1.129000       1.135000      65.04874      -122.4 
1 1 1 34 28 16 o -0.7262000     1.145000      127.9545      -98.9  
1 1 1 34 28 17 o 0.5513000E-01  1.266000      118.4041      -49.9  
1 1 1 34 28 18 o -0.7063000     1.265000      85.45599      114.7  
1 1 1 34 28 19 o 1.639000       1.253000      44.83363      36.1   
1 1 1 34 28 20 o -0.5437000     1.246000      54.97434      -127.6 
1 1 1 34 28 21 o -0.6208000     1.384000      77.56419      -21.8  
1 1 1 34 28 22 o -0.4949000E-01 1.362000      31.69978      -180.0 
1 1 1 34 28 23 o 0.1356000      1.351000      44.44648      16.5   
1 1 1 34 28 24 o -1.832000      1.315000      33.75035      -37.1  
1 1 1 34 28 25 o -0.3029000     1.462000      ?             ?      
1 1 1 34 28 26 o -0.2692000     1.429000      ?             ?      
1 1 1 34 28 27 o -0.1915000     1.413000      ?             ?      
1 1 1 34 28 28 o 0.4844000      1.401000      ?             ?      
1 1 1 34 28 29 o 0.5757000E-01  1.312000      ?             ?      
1 1 1 34 28 30 o -2.882000      1.316000      ?             ?      
1 1 1 34 28 31 o 0.4769000E-02  1.403000      ?             ?      
1 1 1 34 28 32 o 0.6446000E-01  1.361000      ?             ?      
1 1 1 34 28 33 o 0.4451000      1.212000      ?             ?      
1 1 1 34 28 34 o 1.410000       1.083000      ?             ?      
1 1 1 34 28 35 o 0.1848000      1.011000      ?             ?      
1 1 1 34 28 36 o -0.2601000     1.036000      ?             ?      
1 1 1 34 28 37 o -1.096000      1.029000      ?             ?      
1 1 1 34 28 38 o -0.8750000     1.013000      ?             ?      
1 1 1 34 28 39 o -0.9996000     0.9856000     ?             ?      
1 1 1 34 28 40 o -0.5063000E-01 1.059000      ?             ?      
1 1 1 34 28 41 o -0.8579000     1.067000      ?             ?      
1 1 1 34 28 42 o 0.3548000      0.9968000     ?             ?      
1 1 1 34 28 43 o 0.7453000      0.9886000     ?             ?      
1 1 1 34 28 44 o -1.603000      1.004000      ?             ?      
1 1 1 34 28 45 o 0.2525000      1.142000      ?             ?      
1 1 1 34 28 46 o 0.2486000      1.098000      ?             ?      
1 1 1 34 28 47 o -0.3598000     1.129000      ?             ?      
1 1 1 34 28 48 o -2.269000      1.578000      ?             ?      
1 1 1 34 28 49 o -0.7155000E-01 1.400000      ?             ?      
1 1 1 34 28 50 o 1.979000       1.394000      ?             ?      
1 1 1 34 28 51 o 0.2244000      1.161000      ?             ?      
1 1 1 34 28 52 o -2.331000      1.429000      ?             ?      
1 1 1 34 29 0  o -1.418000      1.663000      59.56589      180.0  
1 1 1 34 29 1  o 1.969000       1.116000      77.70750      146.1  
1 1 1 34 29 2  o -2.485000      1.431000      11.90623      -77.8  
1 1 1 34 29 3  o -2.467000      1.457000      141.3914      -36.4  
1 1 1 34 29 4  o -0.1617000     1.489000      107.7086      -118.2 
1 1 1 34 29 5  o 1.636000       1.284000      91.42241      165.5  
1 1 1 34 29 6  o -1.214000      1.131000      48.79411      38.4   
1 1 1 34 29 7  o 0.6575000E-01  1.144000      65.76662      15.6   
1 1 1 34 29 8  o -0.5287000     1.175000      103.9303      113.1  
1 1 1 34 29 9  o -1.517000      1.196000      16.32893      104.6  
1 1 1 34 29 10 o -1.949000      1.227000      124.6813      -125.8 
1 1 1 34 29 11 o -0.3257000     1.127000      24.13680      85.3   
1 1 1 34 29 12 o 1.512000       1.150000      142.9676      120.2  
1 1 1 34 29 13 o -1.642000      1.148000      131.3851      -2.1   
1 1 1 34 29 14 o 0.6008000      1.150000      56.56393      8.7    
1 1 1 34 29 15 o 1.026000       1.161000      56.16026      29.4   
1 1 1 34 29 16 o 0.8584000E-01  1.155000      19.50539      42.7   
1 1 1 34 29 17 o 0.6706000E-01  1.263000      99.36771      0.7    
1 1 1 34 29 18 o 2.345000       1.272000      48.58253      31.2   
1 1 1 34 29 19 o 1.309000       1.255000      77.26740      -100.0 
1 1 1 34 29 20 o -0.1010000     1.239000      40.98774      21.8   
1 1 1 34 29 21 o -3.454000      1.356000      27.43619      81.6   
1 1 1 34 29 22 o 0.1237000      1.372000      65.15806      47.2   
1 1 1 34 29 23 o 1.194000       1.352000      ?             ?      
1 1 1 34 29 24 o -0.2291000     1.353000      ?             ?      
1 1 1 34 29 25 o -1.123000      1.366000      ?             ?      
1 1 1 34 29 26 o 0.2364000      1.474000      ?             ?      
1 1 1 34 29 27 o 0.9366000      1.455000      ?             ?      
1 1 1 34 29 28 o 0.8717000      1.416000      ?             ?      
1 1 1 34 29 29 o -0.2691000     1.447000      ?             ?      
1 1 1 34 29 30 o 1.269000       1.456000      ?             ?      
1 1 1 34 29 31 o -1.600000      1.342000      ?             ?      
1 1 1 34 29 32 o 0.2386000E-01  1.239000      ?             ?      
1 1 1 34 29 33 o -0.1269000     1.227000      ?             ?      
1 1 1 34 29 34 o -0.9762000E-01 1.223000      ?             ?      
1 1 1 34 29 35 o -0.2211000E-01 1.001000      ?             ?      
1 1 1 34 29 36 o 1.148000       0.9964000     ?             ?      
1 1 1 34 29 37 o 1.363000       0.9997000     ?             ?      
1 1 1 34 29 38 o -0.8989000E-01 0.9901000     ?             ?      
1 1 1 34 29 39 f -0.7499000     1.019000      ?             ?      
1 1 1 34 29 40 o 0.3954000      1.023000      ?             ?      
1 1 1 34 29 41 o -0.7892000     1.015000      ?             ?      
1 1 1 34 29 42 o -0.7025000     1.131000      ?             ?      
1 1 1 34 29 43 o -0.6566000E-01 1.236000      ?             ?      
1 1 1 34 29 44 o -2.050000      1.198000      ?             ?      
1 1 1 34 29 45 o -0.4861000     1.080000      ?             ?      
1 1 1 34 29 46 o -1.587000      1.057000      ?             ?      
1 1 1 34 29 47 o -0.1391000     1.127000      ?             ?      
1 1 1 34 29 48 o -0.8007000     1.203000      ?             ?      
1 1 1 34 29 49 o -0.7854000     1.357000      ?             ?      
1 1 1 34 29 50 o 0.3037000      1.261000      ?             ?      
1 1 1 34 29 51 o 1.250000       2.074000      ?             ?      
1 1 1 34 30 0  o -0.3172000     1.696000      27.07596      -180.0 
1 1 1 34 30 1  o -0.2707000     1.128000      36.98290      103.4  
1 1 1 34 30 2  o -2.645000      1.459000      93.04477      9.4    
1 1 1 34 30 3  o -1.222000      1.475000      37.06289      -19.2  
1 1 1 34 30 4  o 1.474000       1.507000      94.74333      158.7  
1 1 1 34 30 5  o -0.3495000     1.309000      41.31698      -57.4  
1 1 1 34 30 6  o -0.1106000     1.166000      15.59130      51.2   
1 1 1 34 30 7  o -0.5373000     1.170000      52.68814      -130.0 
1 1 1 34 30 8  o -1.803000      1.203000      57.44215      -123.2 
1 1 1 34 30 9  o 0.7728000E-01  1.226000      69.48067      -127.9 
1 1 1 34 30 10 o 0.1186000      1.243000      6.954307      -24.8  
1 1 1 34 30 11 o -0.1112000     1.259000      58.75284      79.4   
1 1 1 34 30 12 o -1.239000      1.158000      52.56231      61.1   
1 1 1 34 30 13 o 0.5455000E-01  1.164000      26.96740      34.9   
1 1 1 34 30 14 o -1.570000      1.174000      26.56558      92.5   
1 1 1 34 30 15 o -1.661000      1.175000      20.73668      82.7   
1 1 1 34 30 16 o 0.7607000      1.164000      38.48114      -73.1  
1 1 1 34 30 17 f -0.7939000     1.282000      46.70757      -99.8  
1 1 1 34 30 18 o 1.730000       1.276000      117.3783      72.0   
1 1 1 34 30 19 o 2.247000       1.260000      26.36741      -134.4 
1 1 1 34 30 20 o -1.762000      1.236000      37.34951      -95.7  
1 1 1 34 30 21 o -1.829000      1.380000      45.27570      36.3   
1 1 1 34 30 22 o -0.7320000     1.378000      ?             ?      
1 1 1 34 30 23 o 1.087000       1.364000      ?             ?      
1 1 1 34 30 24 o -0.4340000     1.337000      ?             ?      
1 1 1 34 30 25 o 0.8989000      1.542000      ?             ?      
1 1 1 34 30 26 o -0.9484000     1.517000      ?             ?      
1 1 1 34 30 27 o 2.035000       1.298000      ?             ?      
1 1 1 34 30 28 o -1.585000      1.324000      ?             ?      
1 1 1 34 30 29 o 1.724000       1.319000      ?             ?      
1 1 1 34 30 30 o -2.423000      1.405000      ?             ?      
1 1 1 34 30 31 o -0.2681000     1.655000      ?             ?      
1 1 1 34 30 32 o 0.6817000      1.319000      ?             ?      
1 1 1 34 30 33 o -0.3374000     1.186000      ?             ?      
1 1 1 34 30 34 o 0.1869000      1.204000      ?             ?      
1 1 1 34 30 35 o 0.5522000      1.200000      ?             ?      
1 1 1 34 30 36 o 0.7952000      0.9901000     ?             ?      
1 1 1 34 30 37 o 0.5679000      0.9843000     ?             ?      
1 1 1 34 30 38 o -0.1103000     0.9792000     ?             ?      
1 1 1 34 30 39 o -0.9355000     0.9799000     ?             ?      
1 1 1 34 30 40 o -0.2442000     1.117000      ?             ?      
1 1 1 34 30 41 o -0.4366000     1.154000      ?             ?      
1 1 1 34 30 42 o 0.9491000      1.436000      ?             ?      
1 1 1 34 30 43 o 0.7786000      1.080000      ?             ?      
1 1 1 34 30 44 o 0.5686000E-01  1.046000      ?             ?      
1 1 1 34 30 45 o 0.4439000E-01  1.034000      ?             ?      
1 1 1 34 30 46 o 1.159000       1.138000      ?             ?      
1 1 1 34 30 47 o -1.150000      1.189000      ?             ?      
1 1 1 34 30 48 o -1.109000      1.137000      ?             ?      
1 1 1 34 30 49 o 0.1898000      1.330000      ?             ?      
1 1 1 34 30 50 o -0.5696000     1.369000      ?             ?      
1 1 1 34 31 0  o 1.371000       1.521000      23.73851      -180.0 
1 1 1 34 31 1  o 0.9598000      1.131000      31.84300      95.9   
1 1 1 34 31 2  o 2.779000       1.484000      20.94351      -8.1   
1 1 1 34 31 3  o -0.6076000E-01 1.518000      9.528335      -46.9  
1 1 1 34 31 4  o -1.921000      1.336000      31.20715      -166.4 
1 1 1 34 31 5  o 0.6598000      1.353000      14.86246      -58.2  
1 1 1 34 31 6  o 0.6413000      1.201000      48.20318      -7.0   
1 1 1 34 31 7  o -1.513000      1.199000      20.85222      75.9   
1 1 1 34 31 8  o -1.307000      1.247000      71.47515      32.7   
1 1 1 34 31 9  o 0.5991000      1.246000      34.88942      -103.0 
1 1 1 34 31 10 o -1.845000      1.260000      30.83609      -105.5 
1 1 1 34 31 11 o 0.6618000      1.265000      34.21873      80.3   
1 1 1 34 31 12 o 1.447000       1.284000      39.80524      117.9  
1 1 1 34 31 13 o -0.1558000     1.169000      57.79232      -24.7  
1 1 1 34 31 14 o 0.9569000      1.173000      30.93761      -11.3  
1 1 1 34 31 15 o 0.8576000      1.169000      20.55472      68.1   
1 1 1 34 31 16 o -0.4240000E-01 1.181000      27.16957      -123.9 
1 1 1 34 31 17 o -0.6686000     1.263000      39.33857      32.1   
1 1 1 34 31 18 o 2.054000       1.278000      46.00644      7.4    
1 1 1 34 31 19 o -2.269000      1.281000      44.67081      -172.1 
1 1 1 34 31 20 o 0.4307000      1.273000      ?             ?      
1 1 1 34 31 21 o -0.9382000     1.379000      ?             ?      
1 1 1 34 31 22 o 0.9952000      1.375000      ?             ?      
1 1 1 34 31 23 f 1.181000       1.348000      ?             ?      
1 1 1 34 31 24 o 0.8384000      1.561000      ?             ?      
1 1 1 34 31 25 o 1.505000       1.531000      ?             ?      
1 1 1 34 31 26 o -0.3667000     1.528000      ?             ?      
1 1 1 34 31 27 o 0.2385000      1.341000      ?             ?      
1 1 1 34 31 28 o -0.3417000     1.345000      ?             ?      
1 1 1 34 31 29 o -0.7441000     1.519000      ?             ?      
1 1 1 34 31 30 o 0.7029000      1.428000      ?             ?      
1 1 1 34 31 31 o -0.9502000     1.216000      ?             ?      
1 1 1 34 31 32 o -0.8211000     1.235000      ?             ?      
1 1 1 34 31 33 o 0.3638000      1.163000      ?             ?      
1 1 1 34 31 34 o 1.564000       1.311000      ?             ?      
1 1 1 34 31 35 o -0.2812000     1.337000      ?             ?      
1 1 1 34 31 36 o -0.2747000     1.212000      ?             ?      
1 1 1 34 31 37 o -1.214000      0.9865000     ?             ?      
1 1 1 34 31 38 o -0.6111000     1.144000      ?             ?      
1 1 1 34 31 39 o -2.457000      1.180000      ?             ?      
1 1 1 34 31 40 o -0.6253000     1.043000      ?             ?      
1 1 1 34 31 41 o -0.6469000     0.9900000     ?             ?      
1 1 1 34 31 42 o -0.6141000     0.9950000     ?             ?      
1 1 1 34 31 43 o 0.5240000      1.016000      ?             ?      
1 1 1 34 31 44 o 0.6728000E-01  1.013000      ?             ?      
1 1 1 34 31 45 o -1.031000      1.065000      ?             ?      
1 1 1 34 31 46 o 1.006000       1.259000      ?             ?      
1 1 1 34 31 47 o 0.1418000      1.229000      ?             ?      
1 1 1 34 31 48 o -0.6708000     1.164000      ?             ?      
1 1 1 34 31 49 o 1.547000       1.431000      ?             ?      
1 1 1 34 32 0  o -1.029000      1.508000      8.780959      180.0  
1 1 1 34 32 1  o 1.286000       1.165000      30.52270      -15.8  
1 1 1 34 32 2  o 1.071000       1.505000      48.25814      23.6   
1 1 1 34 32 3  o 0.5393000      1.537000      31.11065      -127.2 
1 1 1 34 32 4  o -3.176000      1.361000      15.66264      55.0   
1 1 1 34 32 5  o -0.3799000     1.380000      48.23286      -17.2  
1 1 1 34 32 6  o -0.6067000     1.242000      18.48028      133.0  
1 1 1 34 32 7  o -1.431000      1.272000      78.68774      -134.2 
1 1 1 34 32 8  o 0.5332000      1.274000      23.04494      -156.8 
1 1 1 34 32 9  o -0.5227000     1.257000      51.41953      27.8   
1 1 1 34 32 10 o -0.6243000     1.271000      15.22405      -21.5  
1 1 1 34 32 11 o -1.009000      1.259000      23.40700      88.9   
1 1 1 34 32 12 o 1.580000       1.267000      31.80520      77.8   
1 1 1 34 32 13 o -0.4320000     1.249000      50.95206      139.5  
1 1 1 34 32 14 o -0.5482000     1.144000      43.47414      167.6  
1 1 1 34 32 15 o -1.200000      1.172000      38.30561      -11.6  
1 1 1 34 32 16 o -0.1759000     1.156000      9.045012      -66.2  
1 1 1 34 32 17 o -0.4418000E-01 1.262000      ?             ?      
1 1 1 34 32 18 o -0.5290000     1.272000      ?             ?      
1 1 1 34 32 19 o 0.6952000E-01  1.270000      ?             ?      
1 1 1 34 32 20 o -0.3850000     1.259000      ?             ?      
1 1 1 34 32 21 o 1.750000       1.422000      ?             ?      
1 1 1 34 32 22 o 1.706000       1.394000      ?             ?      
1 1 1 34 32 23 o -0.7967000     1.371000      ?             ?      
1 1 1 34 32 24 o -1.178000      1.560000      ?             ?      
1 1 1 34 32 25 o 0.4687000      1.561000      ?             ?      
1 1 1 34 32 26 o 0.5065000      1.330000      ?             ?      
1 1 1 34 32 27 o -0.1226000     1.331000      ?             ?      
1 1 1 34 32 28 o 1.130000       1.334000      ?             ?      
1 1 1 34 32 29 o 1.124000       1.456000      ?             ?      
1 1 1 34 32 30 o 0.9062000E-01  1.409000      ?             ?      
1 1 1 34 32 31 o -0.4028000     1.206000      ?             ?      
1 1 1 34 32 32 o -0.7065000     1.189000      ?             ?      
1 1 1 34 32 33 o 1.441000       1.194000      ?             ?      
1 1 1 34 32 34 o -0.3156000E-01 1.182000      ?             ?      
1 1 1 34 32 35 o -0.7119000     1.182000      ?             ?      
1 1 1 34 32 36 o -1.155000      1.211000      ?             ?      
1 1 1 34 32 37 o -0.2735000     1.154000      ?             ?      
1 1 1 34 32 38 o 0.3051000      1.087000      ?             ?      
1 1 1 34 32 39 o -0.8966000     0.9969000     ?             ?      
1 1 1 34 32 40 o -0.3987000     1.460000      ?             ?      
1 1 1 34 32 41 o 0.3962000      0.9980000     ?             ?      
1 1 1 34 32 42 o 0.6155000      1.010000      ?             ?      
1 1 1 34 32 43 o -0.6801000     1.013000      ?             ?      
1 1 1 34 32 44 o -1.245000      1.053000      ?             ?      
1 1 1 34 32 45 o 0.5429000      1.066000      ?             ?      
1 1 1 34 32 46 o 0.6871000      1.422000      ?             ?      
1 1 1 34 32 47 o -1.390000      1.320000      ?             ?      
1 1 1 34 32 48 o -2.024000      1.100000      ?             ?      
1 1 1 34 32 49 o -1.766000      2.233000      ?             ?      
1 1 1 34 33 0  o -0.4111000     1.508000      40.80894      -0.0   
1 1 1 34 33 1  o 1.111000       1.155000      18.11999      87.1   
1 1 1 34 33 2  o 0.5855000      1.507000      37.86259      53.9   
1 1 1 34 33 3  o 0.9522000E-02  1.332000      43.27034      152.8  
1 1 1 34 33 4  o 2.167000       1.392000      43.65800      -103.4 
1 1 1 34 33 5  o 0.6508000      1.389000      5.141884      63.3   
1 1 1 34 33 6  o 0.1759000      1.434000      26.85981      44.4   
1 1 1 34 33 7  o 1.846000       1.290000      59.22515      -152.8 
1 1 1 34 33 8  o 0.1383000      1.263000      25.25000      114.5  
1 1 1 34 33 9  o 0.4259000      1.256000      74.82742      -137.8 
1 1 1 34 33 10 o -1.456000      1.248000      31.02228      93.2   
1 1 1 34 33 11 o -0.5592000     1.262000      37.73590      -104.8 
1 1 1 34 33 12 o -1.400000      1.242000      34.42002      -75.1  
1 1 1 34 33 13 o -1.168000      1.223000      20.22037      -177.1 
1 1 1 34 33 14 o -0.8552000     1.249000      13.82200      23.2   
1 1 1 34 33 15 o -0.7627000     1.129000      ?             ?      
1 1 1 34 33 16 o -0.7012000     1.135000      ?             ?      
1 1 1 34 33 17 o -0.5272000     1.252000      ?             ?      
1 1 1 34 33 18 o -1.511000      1.243000      ?             ?      
1 1 1 34 33 19 o -1.391000      1.232000      ?             ?      
1 1 1 34 33 20 o -1.310000      1.379000      ?             ?      
1 1 1 34 33 21 o -1.906000      1.399000      ?             ?      
1 1 1 34 33 22 o -0.9489000     1.406000      ?             ?      
1 1 1 34 33 23 o -0.2509000     1.621000      ?             ?      
1 1 1 34 33 24 o 1.106000       1.578000      ?             ?      
1 1 1 34 33 25 o 0.8431000E-02  1.348000      ?             ?      
1 1 1 34 33 26 o -2.102000      1.316000      ?             ?      
1 1 1 34 33 27 o -1.300000      1.296000      ?             ?      
1 1 1 34 33 28 o 0.9369000      1.497000      ?             ?      
1 1 1 34 33 29 o -1.031000      1.433000      ?             ?      
1 1 1 34 33 30 o -0.7343000     1.255000      ?             ?      
1 1 1 34 33 31 o 1.561000       1.216000      ?             ?      
1 1 1 34 33 32 o -0.1207000     1.194000      ?             ?      
1 1 1 34 33 33 o -0.9621000     1.172000      ?             ?      
1 1 1 34 33 34 o 0.6837000      1.169000      ?             ?      
1 1 1 34 33 35 o 0.4123000      1.204000      ?             ?      
1 1 1 34 33 36 o -0.9269000     1.192000      ?             ?      
1 1 1 34 33 37 o -0.9148000     1.272000      ?             ?      
1 1 1 34 33 38 o -0.7897000E-01 1.059000      ?             ?      
1 1 1 34 33 39 o 0.8394000E-01  1.005000      ?             ?      
1 1 1 34 33 40 o -1.891000      1.042000      ?             ?      
1 1 1 34 33 41 o 0.5986000      1.057000      ?             ?      
1 1 1 34 33 42 o -0.9466000     1.057000      ?             ?      
1 1 1 34 33 43 o -0.1701000     1.030000      ?             ?      
1 1 1 34 33 44 o -0.2245000     1.133000      ?             ?      
1 1 1 34 33 45 o 0.5612000E-01  2.098000      ?             ?      
1 1 1 34 33 46 o 2.524000       1.209000      ?             ?      
1 1 1 34 33 47 o -1.353000      1.078000      ?             ?      
1 1 1 34 33 48 o 2.091000       1.344000      ?             ?      
1 1 1 34 34 0  o 2.418000       1.537000      10.05965      0.0    
1 1 1 34 34 1  o -0.6238000     1.069000      31.90009      147.9  
1 1 1 34 34 2  o 2.544000       1.580000      69.31832      45.5   
1 1 1 34 34 3  o -0.6416000     1.337000      46.99038      -90.1  
1 1 1 34 34 4  o -0.3489000     1.379000      21.99068      34.1   
1 1 1 34 34 5  o 2.180000       1.380000      73.29512      18.2   
1 1 1 34 34 6  o 0.7116000      1.437000      56.39242      -82.4  
1 1 1 34 34 7  o -1.849000      1.269000      37.59207      129.9  
1 1 1 34 34 8  o -0.4293000     1.240000      83.98367      13.0   
1 1 1 34 34 9  o -1.155000      1.245000      25.09314      27.8   
1 1 1 34 34 10 o -0.2475000     1.237000      28.21370      40.3   
1 1 1 34 34 11 o 1.960000       1.415000      ?             ?      
1 1 1 34 34 12 o -0.6297000     1.228000      ?             ?      
1 1 1 34 34 13 o 0.3008000      1.223000      ?             ?      
1 1 1 34 34 14 o -1.781000      1.211000      ?             ?      
1 1 1 34 34 15 o 0.3300000      1.225000      ?             ?      
1 1 1 34 34 16 o 0.9285000      1.123000      ?             ?      
1 1 1 34 34 17 o 0.6456000      1.221000      ?             ?      
1 1 1 34 34 18 o -0.2109000     1.220000      ?             ?      
1 1 1 34 34 19 o -1.712000      1.202000      ?             ?      
1 1 1 34 34 20 o 0.1714000      1.371000      ?             ?      
1 1 1 34 34 21 o 1.339000       1.395000      ?             ?      
1 1 1 34 34 22 o 2.004000       1.646000      ?             ?      
1 1 1 34 34 23 o -0.5934000     1.593000      ?             ?      
1 1 1 34 34 24 o -2.059000      1.568000      ?             ?      
1 1 1 34 34 25 o -1.364000      1.341000      ?             ?      
1 1 1 34 34 26 o -1.676000      1.327000      ?             ?      
1 1 1 34 34 27 o -1.341000      1.306000      ?             ?      
1 1 1 34 34 28 o -0.3659000     1.456000      ?             ?      
1 1 1 34 34 29 o -1.017000      1.430000      ?             ?      
1 1 1 34 34 30 o -1.601000      1.229000      ?             ?      
1 1 1 34 34 31 o 0.1551000      1.222000      ?             ?      
1 1 1 34 34 32 o -0.9715000     1.241000      ?             ?      
1 1 1 34 34 33 o 0.9632000      1.221000      ?             ?      
1 1 1 34 34 34 o -0.1613000     1.155000      ?             ?      
1 1 1 34 34 35 o 1.298000       1.169000      ?             ?      
1 1 1 34 34 36 o -0.2464000     1.168000      ?             ?      
1 1 1 34 34 37 o -1.062000      1.173000      ?             ?      
1 1 1 34 34 38 o -0.3358000     1.260000      ?             ?      
1 1 1 34 34 39 f 1.396000       1.036000      ?             ?      
1 1 1 34 34 40 o -1.859000      1.045000      ?             ?      
1 1 1 34 34 41 o -0.4403000     1.066000      ?             ?      
1 1 1 34 34 42 o -0.7157000     1.105000      ?             ?      
1 1 1 34 34 43 o 0.3463000      1.257000      ?             ?      
1 1 1 34 34 44 o -1.310000      1.079000      ?             ?      
1 1 1 34 34 45 o 2.046000       1.226000      ?             ?      
1 1 1 34 34 46 o 1.351000       1.614000      ?             ?      
1 1 1 34 34 47 o -0.1280000     1.317000      ?             ?      
1 1 1 34 35 0  o 0.4610000E-01  1.507000      89.97900      180.0  
1 1 1 34 35 1  o -0.1369000     1.048000      42.05218      -100.2 
1 1 1 34 35 2  o -1.185000      1.543000      49.44832      110.6  
1 1 1 34 35 3  o 2.349000       1.325000      62.69773      156.2  
1 1 1 34 35 4  o 0.3938000      1.341000      38.12958      24.7   
1 1 1 34 35 5  o -0.9910000     1.372000      ?             ?      
1 1 1 34 35 6  o 0.3518000      1.384000      ?             ?      
1 1 1 34 35 7  o 2.048000       1.242000      ?             ?      
1 1 1 34 35 8  o 0.2048000      1.210000      ?             ?      
1 1 1 34 35 9  o -1.449000      1.220000      ?             ?      
1 1 1 34 35 10 o -0.1069000E-01 1.206000      ?             ?      
1 1 1 34 35 11 o 1.515000       1.212000      ?             ?      
1 1 1 34 35 12 o 1.776000       1.214000      ?             ?      
1 1 1 34 35 13 o -0.2193000E-02 1.206000      ?             ?      
1 1 1 34 35 14 o 0.6145000      1.205000      ?             ?      
1 1 1 34 35 15 o 0.7277000      1.214000      ?             ?      
1 1 1 34 35 16 o 0.9634000      1.202000      ?             ?      
1 1 1 34 35 17 o -0.6849000     1.199000      ?             ?      
1 1 1 34 35 18 o -1.018000      1.202000      ?             ?      
1 1 1 34 35 19 o 1.813000       1.199000      ?             ?      
1 1 1 34 35 20 o 1.402000       1.358000      ?             ?      
1 1 1 34 35 21 o 1.812000       1.392000      ?             ?      
1 1 1 34 35 22 o 0.4605000      1.582000      ?             ?      
1 1 1 34 35 23 o -1.734000      1.535000      ?             ?      
1 1 1 34 35 24 o -1.512000      1.333000      ?             ?      
1 1 1 34 35 25 o 1.869000       1.348000      ?             ?      
1 1 1 34 35 26 o -1.287000      1.315000      ?             ?      
1 1 1 34 35 27 o 0.9601000      1.499000      ?             ?      
1 1 1 34 35 28 o -0.9796000     1.472000      ?             ?      
1 1 1 34 35 29 o 0.7811000      1.268000      ?             ?      
1 1 1 34 35 30 o -1.908000      1.272000      ?             ?      
1 1 1 34 35 31 o -0.4809000     1.234000      ?             ?      
1 1 1 34 35 32 o 0.2047000      1.216000      ?             ?      
1 1 1 34 35 33 o -0.6155000     1.202000      ?             ?      
1 1 1 34 35 34 o 0.4818000      1.196000      ?             ?      
1 1 1 34 35 35 o -0.7595000     1.190000      ?             ?      
1 1 1 34 35 36 o -0.4340000     1.187000      ?             ?      
1 1 1 34 35 37 o -2.045000      1.195000      ?             ?      
1 1 1 34 35 38 o 0.4656000      1.264000      ?             ?      
1 1 1 34 35 39 o 1.774000       1.350000      ?             ?      
1 1 1 34 35 40 o 0.9125000      1.266000      ?             ?      
1 1 1 34 35 41 o -0.6008000     1.121000      ?             ?      
1 1 1 34 35 42 o 0.5022000E-01  1.536000      ?             ?      
1 1 1 34 35 43 o -1.227000      1.123000      ?             ?      
1 1 1 34 35 44 o -1.435000      1.186000      ?             ?      
1 1 1 34 35 45 o -0.3310000     1.527000      ?             ?      
1 1 1 34 35 46 o -0.9157000     1.317000      ?             ?      
1 1 1 34 36 0  o -0.6199000     1.467000      ?             ?      
1 1 1 34 36 1  o -0.5519000     1.030000      ?             ?      
1 1 1 34 36 2  o -1.351000      1.081000      ?             ?      
1 1 1 34 36 3  o 0.2959000      1.291000      ?             ?      
1 1 1 34 36 4  o 2.122000       1.315000      ?             ?      
1 1 1 34 36 5  o -2.019000      1.313000      ?             ?      
1 1 1 34 36 6  o -1.261000      1.321000      ?             ?      
1 1 1 34 36 7  o 0.8528000      1.178000      ?             ?      
1 1 1 34 36 8  o 1.045000       1.182000      ?             ?      
1 1 1 34 36 9  o 1.705000       1.213000      ?             ?      
1 1 1 34 36 10 o -0.1343000     1.193000      ?             ?      
1 1 1 34 36 11 o 0.9211000      1.212000      ?             ?      
1 1 1 34 36 12 o 1.846000       1.213000      ?             ?      
1 1 1 34 36 13 o -2.988000      1.177000      ?             ?      
1 1 1 34 36 14 o 0.3627000      1.216000      ?             ?      
1 1 1 34 36 15 o -0.9487000     1.181000      ?             ?      
1 1 1 34 36 16 o -1.213000      1.186000      ?             ?      
1 1 1 34 36 17 o 0.9171000E-01  1.331000      ?             ?      
1 1 1 34 36 18 o 0.1663000      1.202000      ?             ?      
1 1 1 34 36 19 o -1.559000      1.203000      ?             ?      
1 1 1 34 36 20 o -0.7245000     1.360000      ?             ?      
1 1 1 34 36 21 o 1.135000       1.610000      ?             ?      
1 1 1 34 36 22 o -1.494000      1.563000      ?             ?      
1 1 1 34 36 23 o -2.190000      1.328000      ?             ?      
1 1 1 34 36 24 o -2.738000      1.307000      ?             ?      
1 1 1 34 36 25 o 0.9644000      1.311000      ?             ?      
1 1 1 34 36 26 o 0.1542000      1.325000      ?             ?      
1 1 1 34 36 27 o -2.423000      1.529000      ?             ?      
1 1 1 34 36 28 o 0.4625000      1.525000      ?             ?      
1 1 1 34 36 29 o -1.168000      1.248000      ?             ?      
1 1 1 34 36 30 o -1.026000      1.247000      ?             ?      
1 1 1 34 36 31 o -0.1242000     1.247000      ?             ?      
1 1 1 34 36 32 o 0.5937000      1.225000      ?             ?      
1 1 1 34 36 33 o -2.053000      1.211000      ?             ?      
1 1 1 34 36 34 o 0.6890000      1.213000      ?             ?      
1 1 1 34 36 35 o 0.1006000      1.215000      ?             ?      
1 1 1 34 36 36 o -1.246000      1.270000      ?             ?      
1 1 1 34 36 37 o 0.8276000      1.257000      ?             ?      
1 1 1 34 36 38 o 2.963000       1.546000      ?             ?      
1 1 1 34 36 39 o -1.913000      1.568000      ?             ?      
1 1 1 34 36 40 o 1.703000       1.215000      ?             ?      
1 1 1 34 36 41 o -1.114000      1.236000      ?             ?      
1 1 1 34 36 42 o 0.4843000      1.074000      ?             ?      
1 1 1 34 36 43 o 1.751000       1.128000      ?             ?      
1 1 1 34 36 44 o -1.163000      1.189000      ?             ?      
1 1 1 34 36 45 o 0.2697000      1.307000      ?             ?      
1 1 1 34 37 0  o 0.8291000      1.467000      ?             ?      
1 1 1 34 37 1  o 1.382000       1.019000      ?             ?      
1 1 1 34 37 2  o -0.1834000     1.017000      ?             ?      
1 1 1 34 37 3  o 2.661000       1.314000      ?             ?      
1 1 1 34 37 4  o -2.075000      1.270000      ?             ?      
1 1 1 34 37 5  o -1.329000      1.279000      ?             ?      
1 1 1 34 37 6  o -0.2601000E-01 1.284000      ?             ?      
1 1 1 34 37 7  o 1.072000       1.183000      ?             ?      
1 1 1 34 37 8  o -0.1261000     1.137000      ?             ?      
1 1 1 34 37 9  o -0.3378000     1.172000      ?             ?      
1 1 1 34 37 10 o 1.547000       1.199000      ?             ?      
1 1 1 34 37 11 o 0.5917000E-01  1.186000      ?             ?      
1 1 1 34 37 12 o -0.6724000     1.176000      ?             ?      
1 1 1 34 37 13 o -1.057000      1.174000      ?             ?      
1 1 1 34 37 14 o 1.342000       1.191000      ?             ?      
1 1 1 34 37 15 o 2.020000       1.206000      ?             ?      
1 1 1 34 37 16 o -0.6396000     1.188000      ?             ?      
1 1 1 34 37 17 o -1.716000      1.190000      ?             ?      
1 1 1 34 37 18 o -0.7512000     1.340000      ?             ?      
1 1 1 34 37 19 o 1.514000       1.199000      ?             ?      
1 1 1 34 37 20 o -0.7722000     1.596000      ?             ?      
1 1 1 34 37 21 o 1.739000       1.579000      ?             ?      
1 1 1 34 37 22 o -0.4211000     1.560000      ?             ?      
1 1 1 34 37 23 o -0.3387000     1.330000      ?             ?      
1 1 1 34 37 24 o -0.4689000     1.304000      ?             ?      
1 1 1 34 37 25 o 1.621000       1.384000      ?             ?      
1 1 1 34 37 26 o -0.8299000     1.616000      ?             ?      
1 1 1 34 37 27 o 0.7050000      1.541000      ?             ?      
1 1 1 34 37 28 o 0.4808000      1.311000      ?             ?      
1 1 1 34 37 29 o -1.709000      1.280000      ?             ?      
1 1 1 34 37 30 o 0.3692000      1.245000      ?             ?      
1 1 1 34 37 31 o -1.817000      1.244000      ?             ?      
1 1 1 34 37 32 o -1.052000      1.233000      ?             ?      
1 1 1 34 37 33 o -0.6791000     1.275000      ?             ?      
1 1 1 34 37 34 o -0.6927000     1.285000      ?             ?      
1 1 1 34 37 35 o -0.7698000     1.290000      ?             ?      
1 1 1 34 37 36 o -1.024000      1.586000      ?             ?      
1 1 1 34 37 37 o 1.863000       1.268000      ?             ?      
1 1 1 34 37 38 o 0.7247000      1.239000      ?             ?      
1 1 1 34 37 39 o -1.956000      1.231000      ?             ?      
1 1 1 34 37 40 o 1.403000       2.121000      ?             ?      
1 1 1 34 37 41 o 1.461000       1.388000      ?             ?      
1 1 1 34 37 42 o 0.8454000      1.424000      ?             ?      
1 1 1 34 37 43 o -0.3068000     1.197000      ?             ?      
1 1 1 34 37 44 o 1.784000       1.309000      ?             ?      
1 1 1 34 38 0  o 0.2227000      1.429000      ?             ?      
1 1 1 34 38 1  o -0.1216000     0.9647000     ?             ?      
1 1 1 34 38 2  o 0.4382000      0.9890000     ?             ?      
1 1 1 34 38 3  o 1.741000       1.289000      ?             ?      
1 1 1 34 38 4  o 0.1755000      1.265000      ?             ?      
1 1 1 34 38 5  o 2.972000       1.281000      ?             ?      
1 1 1 34 38 6  o 0.1164000      1.272000      ?             ?      
1 1 1 34 38 7  o -0.2167000     1.269000      ?             ?      
1 1 1 34 38 8  o -0.9660000     1.134000      ?             ?      
1 1 1 34 38 9  o 0.2750000      1.165000      ?             ?      
1 1 1 34 38 10 o 0.9465000      1.164000      ?             ?      
1 1 1 34 38 11 o 1.757000       1.169000      ?             ?      
1 1 1 34 38 12 o 0.8698000      1.161000      ?             ?      
1 1 1 34 38 13 o -2.630000      1.164000      ?             ?      
1 1 1 34 38 14 o -1.026000      1.187000      ?             ?      
1 1 1 34 38 15 o 0.1302000      1.191000      ?             ?      
1 1 1 34 38 16 o -1.551000      1.181000      ?             ?      
1 1 1 34 38 17 o -0.1922000     1.191000      ?             ?      
1 1 1 34 38 18 o -0.7491000     1.337000      ?             ?      
1 1 1 34 38 19 o 0.8496000      1.399000      ?             ?      
1 1 1 34 38 20 o 0.2535000      1.587000      ?             ?      
1 1 1 34 38 21 o 1.892000       1.568000      ?             ?      
1 1 1 34 38 22 o 0.4157000      1.343000      ?             ?      
1 1 1 34 38 23 o 0.2857000      1.374000      ?             ?      
1 1 1 34 38 24 o 0.8597000      1.320000      ?             ?      
1 1 1 34 38 25 o -1.181000      1.339000      ?             ?      
1 1 1 34 38 26 o 0.2677000      1.559000      ?             ?      
1 1 1 34 38 27 o -0.1759000     1.561000      ?             ?      
1 1 1 34 38 28 o 1.868000       1.340000      ?             ?      
1 1 1 34 38 29 o 0.7205000      1.293000      ?             ?      
1 1 1 34 38 30 o 2.360000       1.286000      ?             ?      
1 1 1 34 38 31 o -2.694000      1.281000      ?             ?      
1 1 1 34 38 32 o 0.1716000      1.263000      ?             ?      
1 1 1 34 38 33 o 0.4947000      1.552000      ?             ?      
1 1 1 34 38 34 o 0.1328000      1.521000      ?             ?      
1 1 1 34 38 35 o 0.2224000      1.257000      ?             ?      
1 1 1 34 38 36 o 0.3038000      1.265000      ?             ?      
1 1 1 34 38 37 o 2.418000       1.296000      ?             ?      
1 1 1 34 38 38 o 0.2911000      1.275000      ?             ?      
1 1 1 34 38 39 o 0.8073000      1.258000      ?             ?      
1 1 1 34 38 40 o -3.572000      2.157000      ?             ?      
1 1 1 34 38 41 o 0.4182000      1.393000      ?             ?      
1 1 1 34 38 42 o 2.044000       1.256000      ?             ?      
1 1 1 34 38 43 o -4.705000      4.058000      ?             ?      
1 1 1 34 39 0  o -1.503000      1.344000      ?             ?      
1 1 1 34 39 1  o 0.4591000      0.9443000     ?             ?      
1 1 1 34 39 2  o 0.9925000      0.9716000     ?             ?      
1 1 1 34 39 3  o -1.626000      1.244000      ?             ?      
1 1 1 34 39 4  o -0.9110000     1.250000      ?             ?      
1 1 1 34 39 5  o -1.898000      1.268000      ?             ?      
1 1 1 34 39 6  o 0.1472000      1.272000      ?             ?      
1 1 1 34 39 7  o -1.520000      1.264000      ?             ?      
1 1 1 34 39 8  o 0.8857000E-01  1.139000      ?             ?      
1 1 1 34 39 9  o -0.6879000     1.148000      ?             ?      
1 1 1 34 39 10 o -0.5421000     1.146000      ?             ?      
1 1 1 34 39 11 o 0.4566000      1.155000      ?             ?      
1 1 1 34 39 12 o 1.505000       1.168000      ?             ?      
1 1 1 34 39 13 o 0.1959000      1.152000      ?             ?      
1 1 1 34 39 14 o -0.5426000     1.190000      ?             ?      
1 1 1 34 39 15 o -0.1525000     1.307000      ?             ?      
1 1 1 34 39 16 o 2.552000       1.324000      ?             ?      
1 1 1 34 39 17 o -1.399000      1.189000      ?             ?      
1 1 1 34 39 18 o 0.3905000      1.347000      ?             ?      
1 1 1 34 39 19 o 1.844000       2.105000      ?             ?      
1 1 1 34 39 20 o 2.732000       2.142000      ?             ?      
1 1 1 34 39 21 o 0.9351000      1.407000      ?             ?      
1 1 1 34 39 22 o 0.5533000      1.321000      ?             ?      
1 1 1 34 39 23 o -0.9577000     1.312000      ?             ?      
1 1 1 34 39 24 o -0.1802000     1.345000      ?             ?      
1 1 1 34 39 25 o 1.311000       1.616000      ?             ?      
1 1 1 34 39 26 o 0.5205000      1.557000      ?             ?      
1 1 1 34 39 27 o 0.4943000      1.325000      ?             ?      
1 1 1 34 39 28 o 0.1876000E-01  1.328000      ?             ?      
1 1 1 34 39 29 o -0.2491000     1.344000      ?             ?      
1 1 1 34 39 30 o 1.263000       1.335000      ?             ?      
1 1 1 34 39 31 o 1.402000       1.553000      ?             ?      
1 1 1 34 39 32 o -2.881000      1.279000      ?             ?      
1 1 1 34 39 33 o 0.5310000      1.260000      ?             ?      
1 1 1 34 39 34 o -0.2945000     1.260000      ?             ?      
1 1 1 34 39 35 o 0.6514000      1.267000      ?             ?      
1 1 1 34 39 36 o -1.413000      1.277000      ?             ?      
1 1 1 34 39 37 o 1.137000       1.281000      ?             ?      
1 1 1 34 39 38 o 1.166000       1.286000      ?             ?      
1 1 1 34 39 39 o 2.022000       1.269000      ?             ?      
1 1 1 34 39 40 o -1.524000      1.444000      ?             ?      
1 1 1 34 39 41 o 0.1059000      1.452000      ?             ?      
1 1 1 34 39 42 < 0.000000       -1.000000     ?             ?      
1 1 1 34 40 0  o -0.6966000     1.322000      ?             ?      
1 1 1 34 40 1  o 0.7574000      0.9259000     ?             ?      
1 1 1 34 40 2  o -0.4012000     0.9376000     ?             ?      
1 1 1 34 40 3  o -0.2785000     1.233000      ?             ?      
1 1 1 34 40 4  o -0.3423000E-02 1.223000      ?             ?      
1 1 1 34 40 5  o -0.2777000     1.259000      ?             ?      
1 1 1 34 40 6  o 1.021000       1.239000      ?             ?      
1 1 1 34 40 7  o -0.5976000     1.259000      ?             ?      
1 1 1 34 40 8  o 0.6769000E-02  1.126000      ?             ?      
1 1 1 34 40 9  o 1.264000       1.142000      ?             ?      
1 1 1 34 40 10 o -0.2080000     1.142000      ?             ?      
1 1 1 34 40 11 o 1.688000       1.162000      ?             ?      
1 1 1 34 40 12 o 0.2555000      1.295000      ?             ?      
1 1 1 34 40 13 o 0.5788000      1.286000      ?             ?      
1 1 1 34 40 14 o 0.3747000      1.173000      ?             ?      
1 1 1 34 40 15 o 0.2553000E-01  1.166000      ?             ?      
1 1 1 34 40 16 o 0.2177000      1.170000      ?             ?      
1 1 1 34 40 17 o -0.8074000     1.189000      ?             ?      
1 1 1 34 40 18 o -0.1499000     2.082000      ?             ?      
1 1 1 34 40 19 o -0.1326000     2.070000      ?             ?      
1 1 1 34 40 20 o 3.220000       2.081000      ?             ?      
1 1 1 34 40 21 o 0.6558000      1.569000      ?             ?      
1 1 1 34 40 22 o 0.5877000      1.331000      ?             ?      
1 1 1 34 40 23 o -1.636000      1.356000      ?             ?      
1 1 1 34 40 24 o -0.4180000     1.348000      ?             ?      
1 1 1 34 40 25 o 2.561000       1.616000      ?             ?      
1 1 1 34 40 26 o 0.6900000      1.584000      ?             ?      
1 1 1 34 40 27 o -1.189000      1.335000      ?             ?      
1 1 1 34 40 28 o -2.863000      1.542000      ?             ?      
1 1 1 34 40 29 o 0.3175000E-02  1.520000      ?             ?      
1 1 1 34 40 30 o 0.1874000      1.335000      ?             ?      
1 1 1 34 40 31 o -0.5812000E-01 1.301000      ?             ?      
1 1 1 34 40 32 o 0.8311000      1.295000      ?             ?      
1 1 1 34 40 33 o 0.9526000E-01  1.295000      ?             ?      
1 1 1 34 40 34 o -0.1861000     2.320000      ?             ?      
1 1 1 34 40 35 o 0.8963000      1.269000      ?             ?      
1 1 1 34 40 36 o 1.168000       1.287000      ?             ?      
1 1 1 34 40 37 o -0.7484000     1.269000      ?             ?      
1 1 1 34 40 38 o 0.2805000      1.273000      ?             ?      
1 1 1 34 40 39 o 0.6613000      1.494000      ?             ?      
1 1 1 34 40 40 o -0.3033000     2.289000      ?             ?      
1 1 1 34 41 0  o 0.7959000      1.229000      ?             ?      
1 1 1 34 41 1  o 0.8407000      0.9032000     ?             ?      
1 1 1 34 41 2  o -0.2657000     0.9108000     ?             ?      
1 1 1 34 41 3  o 0.5758000      1.087000      ?             ?      
1 1 1 34 41 4  o 0.8207000      1.224000      ?             ?      
1 1 1 34 41 5  o 0.6161000      1.244000      ?             ?      
1 1 1 34 41 6  o 1.558000       1.257000      ?             ?      
1 1 1 34 41 7  o 1.028000       1.241000      ?             ?      
1 1 1 34 41 8  o -0.7595000E-01 1.140000      ?             ?      
1 1 1 34 41 9  o -0.6288000     1.127000      ?             ?      
1 1 1 34 41 10 o -1.404000      1.261000      ?             ?      
1 1 1 34 41 11 o -0.8584000     1.153000      ?             ?      
1 1 1 34 41 12 o 1.004000       1.144000      ?             ?      
1 1 1 34 41 13 o 1.596000       1.147000      ?             ?      
1 1 1 34 41 14 o -0.6416000     1.162000      ?             ?      
1 1 1 34 41 15 o 0.5337000      1.195000      ?             ?      
1 1 1 34 41 16 o -0.7818000E-01 1.188000      ?             ?      
1 1 1 34 41 17 o 0.1121000      1.355000      ?             ?      
1 1 1 34 41 18 o 0.4837000      2.032000      ?             ?      
1 1 1 34 41 19 o 1.379000       2.059000      ?             ?      
1 1 1 34 41 20 o 0.7392000      1.549000      ?             ?      
1 1 1 34 41 21 o 1.093000       1.550000      ?             ?      
1 1 1 34 41 22 o 4.373000       1.609000      ?             ?      
1 1 1 34 41 23 o -1.214000      1.374000      ?             ?      
1 1 1 34 41 24 o 1.168000       1.638000      ?             ?      
1 1 1 34 41 25 o -2.363000      1.647000      ?             ?      
1 1 1 34 41 26 o 0.5611000      1.590000      ?             ?      
1 1 1 34 41 27 o 1.689000       1.322000      ?             ?      
1 1 1 34 41 28 o -0.6910000E-01 1.314000      ?             ?      
1 1 1 34 41 29 o 0.7336000      1.310000      ?             ?      
1 1 1 34 41 30 o -0.1931000     1.300000      ?             ?      
1 1 1 34 41 31 o 1.136000       1.327000      ?             ?      
1 1 1 34 41 32 o 2.059000       1.345000      ?             ?      
1 1 1 34 41 33 o 1.265000       1.300000      ?             ?      
1 1 1 34 41 34 o 0.4004000      1.305000      ?             ?      
1 1 1 34 41 35 o -1.100000      1.286000      ?             ?      
1 1 1 34 41 36 o 1.473000       1.322000      ?             ?      
1 1 1 34 41 37 o -1.736000      1.298000      ?             ?      
1 1 1 34 41 38 o -2.903000      2.325000      ?             ?      
1 1 1 34 41 39 o 1.654000       2.357000      ?             ?      
1 1 1 34 42 0  o 0.8205000      1.213000      ?             ?      
1 1 1 34 42 1  o -1.052000      0.8832000     ?             ?      
1 1 1 34 42 2  o 1.364000       0.8979000     ?             ?      
1 1 1 34 42 3  o -0.2941000     1.069000      ?             ?      
1 1 1 34 42 4  o -0.2669000     1.237000      ?             ?      
1 1 1 34 42 5  o -0.6156000E-01 1.259000      ?             ?      
1 1 1 34 42 6  o 0.3286000      1.233000      ?             ?      
1 1 1 34 42 7  o -1.799000      1.224000      ?             ?      
1 1 1 34 42 8  o 0.4400000      1.237000      ?             ?      
1 1 1 34 42 9  o -0.5954000     1.112000      ?             ?      
1 1 1 34 42 10 o 0.2589000      1.105000      ?             ?      
1 1 1 34 42 11 o 0.3197000      1.108000      ?             ?      
1 1 1 34 42 12 o -0.2766000     1.168000      ?             ?      
1 1 1 34 42 13 o 0.9273000      1.176000      ?             ?      
1 1 1 34 42 14 o -0.8683000     1.133000      ?             ?      
1 1 1 34 42 15 o -0.6068000     1.147000      ?             ?      
1 1 1 34 42 16 o 1.567000       1.201000      ?             ?      
1 1 1 34 42 17 o -1.216000      1.552000      ?             ?      
1 1 1 34 42 18 o -1.086000      1.980000      ?             ?      
1 1 1 34 42 19 o 0.4839000      1.336000      ?             ?      
1 1 1 34 42 20 o -1.133000      1.557000      ?             ?      
1 1 1 34 42 21 o 1.741000       1.568000      ?             ?      
1 1 1 34 42 22 o 0.2575000      1.605000      ?             ?      
1 1 1 34 42 23 o 0.9853000      1.604000      ?             ?      
1 1 1 34 42 24 o 0.4578000      2.079000      ?             ?      
1 1 1 34 42 25 o -3.852000      1.582000      ?             ?      
1 1 1 34 42 26 o -0.9898000     1.312000      ?             ?      
1 1 1 34 42 27 o -0.5576000E-01 1.342000      ?             ?      
1 1 1 34 42 28 o 0.4662000      1.340000      ?             ?      
1 1 1 34 42 29 o 0.8550000      1.325000      ?             ?      
1 1 1 34 42 30 o 1.207000       1.300000      ?             ?      
1 1 1 34 42 31 o 2.192000       1.313000      ?             ?      
1 1 1 34 42 32 o 1.075000       1.049000      ?             ?      
1 1 1 34 42 33 o 0.7704000      1.347000      ?             ?      
1 1 1 34 42 34 o -1.762000      1.314000      ?             ?      
1 1 1 34 42 35 o -0.9603000     1.319000      ?             ?      
1 1 1 34 42 36 o 0.7539000      1.332000      ?             ?      
1 1 1 34 42 37 o -0.8686000     1.609000      ?             ?      
1 1 1 34 42 38 < 0.000000       -1.000000     ?             ?      
1 1 1 34 43 0  o 0.6335000      1.202000      ?             ?      
1 1 1 34 43 1  o 0.5925000      0.8830000     ?             ?      
1 1 1 34 43 2  o 0.8309000      0.8869000     ?             ?      
1 1 1 34 43 3  o 0.8833000E-01  1.074000      ?             ?      
1 1 1 34 43 4  o 1.786000       1.228000      ?             ?      
1 1 1 34 43 5  o -0.1938000E-01 1.233000      ?             ?      
1 1 1 34 43 6  o 0.2362000      1.237000      ?             ?      
1 1 1 34 43 7  o -1.120000      1.227000      ?             ?      
1 1 1 34 43 8  o -0.1290000     1.231000      ?             ?      
1 1 1 34 43 9  o 0.3278000      1.147000      ?             ?      
1 1 1 34 43 10 o -1.600000      1.133000      ?             ?      
1 1 1 34 43 11 o 0.4216000      1.104000      ?             ?      
1 1 1 34 43 12 o -0.6232000     1.108000      ?             ?      
1 1 1 34 43 13 o 0.3126000      1.115000      ?             ?      
1 1 1 34 43 14 o 0.6473000E-01  1.141000      ?             ?      
1 1 1 34 43 15 o -0.1288000     1.158000      ?             ?      
1 1 1 34 43 16 o 0.8875000      1.550000      ?             ?      
1 1 1 34 43 17 o -2.455000      1.544000      ?             ?      
1 1 1 34 43 18 o -1.519000      2.000000      ?             ?      
1 1 1 34 43 19 o -0.5735000     1.336000      ?             ?      
1 1 1 34 43 20 o -1.860000      1.558000      ?             ?      
1 1 1 34 43 21 o -2.842000      1.519000      ?             ?      
1 1 1 34 43 22 o -1.008000      1.535000      ?             ?      
1 1 1 34 43 23 o 0.2256000      2.088000      ?             ?      
1 1 1 34 43 24 o 1.382000       2.144000      ?             ?      
1 1 1 34 43 25 o 0.4913000      1.573000      ?             ?      
1 1 1 34 43 26 o -0.6336000     1.337000      ?             ?      
1 1 1 34 43 27 o -1.625000      1.320000      ?             ?      
1 1 1 34 43 28 o 1.991000       1.337000      ?             ?      
1 1 1 34 43 29 o 1.552000       1.318000      ?             ?      
1 1 1 34 43 30 o -0.7494000     1.305000      ?             ?      
1 1 1 34 43 31 o 0.1642000      1.356000      ?             ?      
1 1 1 34 43 32 o 0.2962000      1.338000      ?             ?      
1 1 1 34 43 33 o 0.6405000      1.337000      ?             ?      
1 1 1 34 43 34 o -0.1008000     1.329000      ?             ?      
1 1 1 34 43 35 o 2.242000       3.070000      ?             ?      
1 1 1 34 43 36 o 2.397000       1.673000      ?             ?      
1 1 1 34 44 0  o -0.4534000     1.194000      ?             ?      
1 1 1 34 44 1  o -1.513000      0.8382000     ?             ?      
1 1 1 34 44 2  o 1.834000       0.9403000     ?             ?      
1 1 1 34 44 3  o -1.507000      1.080000      ?             ?      
1 1 1 34 44 4  o -0.4111000     1.202000      ?             ?      
1 1 1 34 44 5  o -0.8571000     1.254000      ?             ?      
1 1 1 34 44 6  o 1.090000       1.246000      ?             ?      
1 1 1 34 44 7  o 1.849000       1.249000      ?             ?      
1 1 1 34 44 8  o -0.4328000     1.219000      ?             ?      
1 1 1 34 44 9  o 1.526000       1.091000      ?             ?      
1 1 1 34 44 10 o 0.8480000      1.107000      ?             ?      
1 1 1 34 44 11 o 1.261000       1.109000      ?             ?      
1 1 1 34 44 12 o -1.660000      1.108000      ?             ?      
1 1 1 34 44 13 o -0.6589000E-01 1.121000      ?             ?      
1 1 1 34 44 14 o -2.076000      1.134000      ?             ?      
1 1 1 34 44 15 o 0.4090000      1.538000      ?             ?      
1 1 1 34 44 16 o -0.5856000     1.549000      ?             ?      
1 1 1 34 44 17 o 2.620000       1.614000      ?             ?      
1 1 1 34 44 18 o -2.052000      1.380000      ?             ?      
1 1 1 34 44 19 o 0.3241000      1.327000      ?             ?      
1 1 1 34 44 20 o 0.8029000      1.509000      ?             ?      
1 1 1 34 44 21 o 0.5638000      1.543000      ?             ?      
1 1 1 34 44 22 o -2.481000      1.541000      ?             ?      
1 1 1 34 44 23 o 2.487000       2.144000      ?             ?      
1 1 1 34 44 24 o -0.5468000     2.088000      ?             ?      
1 1 1 34 44 25 o 1.980000       1.557000      ?             ?      
1 1 1 34 44 26 o -0.4038000     1.536000      ?             ?      
1 1 1 34 44 27 o -1.271000      1.329000      ?             ?      
1 1 1 34 44 28 o 2.369000       1.335000      ?             ?      
1 1 1 34 44 29 o 0.8217000      1.315000      ?             ?      
1 1 1 34 44 30 o -0.4371000     1.338000      ?             ?      
1 1 1 34 44 31 o -0.8444000     1.348000      ?             ?      
1 1 1 34 44 32 o 0.8360000E-01  1.354000      ?             ?      
1 1 1 34 44 33 o -2.061000      1.343000      ?             ?      
1 1 1 34 44 34 o 0.2612000      1.606000      ?             ?      
1 1 1 34 45 0  o 0.2651000      1.370000      ?             ?      
1 1 1 34 45 1  o -0.2704000     0.9256000     ?             ?      
1 1 1 34 45 2  o 0.6466000E-01  0.8775000     ?             ?      
1 1 1 34 45 3  o 0.4432000      1.073000      ?             ?      
1 1 1 34 45 4  o -0.5050000     1.092000      ?             ?      
1 1 1 34 45 5  o 1.884000       1.275000      ?             ?      
1 1 1 34 45 6  o -0.8546000     1.250000      ?             ?      
1 1 1 34 45 7  o -1.271000      1.230000      ?             ?      
1 1 1 34 45 8  o 0.4041000      1.272000      ?             ?      
1 1 1 34 45 9  o -1.071000      1.103000      ?             ?      
1 1 1 34 45 10 o -1.901000      1.097000      ?             ?      
1 1 1 34 45 11 o 0.9203000      1.110000      ?             ?      
1 1 1 34 45 12 o 0.2620000      1.127000      ?             ?      
1 1 1 34 45 13 o -0.3296000     1.149000      ?             ?      
1 1 1 34 45 14 o -1.743000      1.207000      ?             ?      
1 1 1 34 45 15 o 2.076000       1.562000      ?             ?      
1 1 1 34 45 16 o 1.603000       1.565000      ?             ?      
1 1 1 34 45 17 o -0.9469000E-01 1.237000      ?             ?      
1 1 1 34 45 18 o -0.1831000     1.329000      ?             ?      
1 1 1 34 45 19 o 1.269000       1.309000      ?             ?      
1 1 1 34 45 20 o -0.1942000     1.507000      ?             ?      
1 1 1 34 45 21 o -0.7149000     1.537000      ?             ?      
1 1 1 34 45 22 o 0.1935000E-01  2.119000      ?             ?      
1 1 1 34 45 23 o -1.865000      2.098000      ?             ?      
1 1 1 34 45 24 o 1.511000       1.564000      ?             ?      
1 1 1 34 45 25 o 1.603000       1.587000      ?             ?      
1 1 1 34 45 26 o 0.9700000      1.588000      ?             ?      
1 1 1 34 45 27 o 0.1169000E-01  1.583000      ?             ?      
1 1 1 34 45 28 o 0.3344000      1.342000      ?             ?      
1 1 1 34 45 29 o -0.7173000     1.349000      ?             ?      
1 1 1 34 45 30 o -0.6508000     1.344000      ?             ?      
1 1 1 34 45 31 o 2.755000       1.359000      ?             ?      
1 1 1 34 45 32 o 0.4834000      1.601000      ?             ?      
1 1 1 34 45 33 < 0.000000       -1.000000     ?             ?      
1 1 1 34 46 0  o -0.3079000     1.250000      ?             ?      
1 1 1 34 46 1  o -0.5798000     0.8705000     ?             ?      
1 1 1 34 46 2  o -0.3924000     0.8771000     ?             ?      
1 1 1 34 46 3  o -0.5779000     1.143000      ?             ?      
1 1 1 34 46 4  o -1.225000      1.083000      ?             ?      
1 1 1 34 46 5  o 0.3047000      1.286000      ?             ?      
1 1 1 34 46 6  o 1.108000       1.265000      ?             ?      
1 1 1 34 46 7  o -0.1160000     1.243000      ?             ?      
1 1 1 34 46 8  o 1.102000       1.265000      ?             ?      
1 1 1 34 46 9  o 0.8219000      1.163000      ?             ?      
1 1 1 34 46 10 o 0.2957000      1.120000      ?             ?      
1 1 1 34 46 11 o 0.9833000      1.159000      ?             ?      
1 1 1 34 46 12 o 0.8462000      1.164000      ?             ?      
1 1 1 34 46 13 o -0.1840000     1.155000      ?             ?      
1 1 1 34 46 14 o 0.9883000      1.495000      ?             ?      
1 1 1 34 46 15 o 0.7153000      1.568000      ?             ?      
1 1 1 34 46 16 o 1.262000       1.254000      ?             ?      
1 1 1 34 46 17 o 0.9049000E-01  1.334000      ?             ?      
1 1 1 34 46 18 o 1.260000       1.325000      ?             ?      
1 1 1 34 46 19 o 0.1738000      1.328000      ?             ?      
1 1 1 34 46 20 o -0.8743000     1.540000      ?             ?      
1 1 1 34 46 21 o -0.5818000E-01 1.557000      ?             ?      
1 1 1 34 46 22 o -0.7943000     2.140000      ?             ?      
1 1 1 34 46 23 o -3.405000      2.119000      ?             ?      
1 1 1 34 46 24 o 1.909000       1.593000      ?             ?      
1 1 1 34 46 25 o -0.9885000     1.565000      ?             ?      
1 1 1 34 46 26 o -1.863000      1.588000      ?             ?      
1 1 1 34 46 27 o 7.419000       3.005000      ?             ?      
1 1 1 34 46 28 o -1.978000      1.571000      ?             ?      
1 1 1 34 46 29 o -0.7449000     1.354000      ?             ?      
1 1 1 34 46 30 o 1.979000       3.037000      ?             ?      
1 1 1 34 46 31 o 3.639000       4.347000      ?             ?      
1 1 1 34 47 0  o -1.497000      1.186000      ?             ?      
1 1 1 34 47 1  o -0.8571000     0.8470000     ?             ?      
1 1 1 34 47 2  o 0.4057000      0.9003000     ?             ?      
1 1 1 34 47 3  o -1.206000      1.178000      ?             ?      
1 1 1 34 47 4  o -0.7900000     1.179000      ?             ?      
1 1 1 34 47 5  o -1.393000      1.286000      ?             ?      
1 1 1 34 47 6  o 0.8236000      1.360000      ?             ?      
1 1 1 34 47 7  o -1.456000      1.343000      ?             ?      
1 1 1 34 47 8  o 0.4995000      1.290000      ?             ?      
1 1 1 34 47 9  o -0.3927000     1.179000      ?             ?      
1 1 1 34 47 10 o -0.8594000     1.122000      ?             ?      
1 1 1 34 47 11 o 0.2395000      1.123000      ?             ?      
1 1 1 34 47 12 o 2.212000       1.152000      ?             ?      
1 1 1 34 47 13 o 1.514000       1.509000      ?             ?      
1 1 1 34 47 14 o 0.1226000      1.552000      ?             ?      
1 1 1 34 47 15 o -0.6651000     1.625000      ?             ?      
1 1 1 34 47 16 o 0.7155000      1.243000      ?             ?      
1 1 1 34 47 17 o -0.3103000     1.342000      ?             ?      
1 1 1 34 47 18 o -0.2079000     1.326000      ?             ?      
1 1 1 34 47 19 o -1.457000      1.326000      ?             ?      
1 1 1 34 47 20 o -1.763000      1.556000      ?             ?      
1 1 1 34 47 21 o 3.774000       2.233000      ?             ?      
1 1 1 34 47 22 o 0.2109000      1.113000      ?             ?      
1 1 1 34 47 23 o 1.786000       1.603000      ?             ?      
1 1 1 34 47 24 o -0.9677000     1.578000      ?             ?      
1 1 1 34 47 25 o -1.033000      1.557000      ?             ?      
1 1 1 34 47 26 o -1.123000      1.566000      ?             ?      
1 1 1 34 47 27 o 1.486000       1.583000      ?             ?      
1 1 1 34 47 28 o 0.1940000      1.604000      ?             ?      
1 1 1 34 47 29 o 1.038000       2.514000      ?             ?      
1 1 1 34 48 0  o 0.9012000      1.211000      ?             ?      
1 1 1 34 48 1  o 0.9959000      0.8551000     ?             ?      
1 1 1 34 48 2  o -0.3374000     0.8557000     ?             ?      
1 1 1 34 48 3  o -0.4551000     1.097000      ?             ?      
1 1 1 34 48 4  o -0.1359000     1.098000      ?             ?      
1 1 1 34 48 5  o -0.2953000     1.315000      ?             ?      
1 1 1 34 48 6  o 1.039000       1.542000      ?             ?      
1 1 1 34 48 7  o -0.7908000     1.475000      ?             ?      
1 1 1 34 48 8  o -0.5095000     1.260000      ?             ?      
1 1 1 34 48 9  o -0.9580000     1.207000      ?             ?      
1 1 1 34 48 10 o -0.9633000     1.167000      ?             ?      
1 1 1 34 48 11 o -0.8446000     1.180000      ?             ?      
1 1 1 34 48 12 o 1.802000       1.523000      ?             ?      
1 1 1 34 48 13 o -2.239000      1.563000      ?             ?      
1 1 1 34 48 14 o 0.3342000      1.610000      ?             ?      
1 1 1 34 48 15 o -0.6781000     1.231000      ?             ?      
1 1 1 34 48 16 o 0.3601000E-01  1.215000      ?             ?      
1 1 1 34 48 17 o -1.149000      1.327000      ?             ?      
1 1 1 34 48 18 o -0.6942000     1.321000      ?             ?      
1 1 1 34 48 19 o -1.082000      1.368000      ?             ?      
1 1 1 34 48 20 o -2.681000      1.587000      ?             ?      
1 1 1 34 48 21 o 0.8506000      1.123000      ?             ?      
1 1 1 34 48 22 o 2.197000       2.141000      ?             ?      
1 1 1 34 48 23 o -1.060000      1.553000      ?             ?      
1 1 1 34 48 24 o -0.3182000     1.601000      ?             ?      
1 1 1 34 48 25 o -0.6869000     1.582000      ?             ?      
1 1 1 34 48 26 o -0.5464000     1.577000      ?             ?      
1 1 1 34 49 0  o -1.675000      1.290000      ?             ?      
1 1 1 34 49 1  o 0.3122000      0.9379000     ?             ?      
1 1 1 34 49 2  o 0.2806000      0.9050000     ?             ?      
1 1 1 34 49 3  o -0.5369000     1.095000      ?             ?      
1 1 1 34 49 4  o 0.3534000E-02  1.079000      ?             ?      
1 1 1 34 49 5  o -0.4686000     1.252000      ?             ?      
1 1 1 34 49 6  o -0.6819000     1.287000      ?             ?      
1 1 1 34 49 7  o 0.6226000      1.254000      ?             ?      
1 1 1 34 49 8  o 1.079000       1.279000      ?             ?      
1 1 1 34 49 9  o -0.8743000     1.318000      ?             ?      
1 1 1 34 49 10 o 0.1447000      1.311000      ?             ?      
1 1 1 34 49 11 o 0.4344000      1.216000      ?             ?      
1 1 1 34 49 12 o -0.1636000     1.607000      ?             ?      
1 1 1 34 49 13 o -1.543000      1.601000      ?             ?      
1 1 1 34 49 14 o -0.7023000E-02 1.287000      ?             ?      
1 1 1 34 49 15 o 2.188000       1.230000      ?             ?      
1 1 1 34 49 16 o -0.6545000     1.208000      ?             ?      
1 1 1 34 49 17 o -0.5004000     1.328000      ?             ?      
1 1 1 34 49 18 o -0.9628000     1.368000      ?             ?      
1 1 1 34 49 19 o -0.4645000     1.400000      ?             ?      
1 1 1 34 49 20 o -1.054000      2.125000      ?             ?      
1 1 1 34 49 21 o 0.5081000      2.121000      ?             ?      
1 1 1 34 49 22 o -0.1602000     1.596000      ?             ?      
1 1 1 34 49 23 o 0.5473000      1.582000      ?             ?      
1 1 1 34 49 24 o 1.642000       1.595000      ?             ?      
1 1 1 34 50 0  o -0.4978000     1.249000      ?             ?      
1 1 1 34 50 1  o 0.7884000      1.142000      ?             ?      
1 1 1 34 50 2  o 0.3144000E-01  1.311000      ?             ?      
1 1 1 34 50 3  o 0.9201000      1.213000      ?             ?      
1 1 1 34 50 4  o -0.6440000     1.093000      ?             ?      
1 1 1 34 50 5  o -0.7458000     1.128000      ?             ?      
1 1 1 34 50 6  o 1.951000       1.299000      ?             ?      
1 1 1 34 50 7  o -0.6891000     1.266000      ?             ?      
1 1 1 34 50 8  o -1.320000      1.282000      ?             ?      
1 1 1 34 50 9  o 1.093000       1.164000      ?             ?      
1 1 1 34 50 10 o -1.228000      1.168000      ?             ?      
1 1 1 34 50 11 o -0.5569000     1.574000      ?             ?      
1 1 1 34 50 12 o 3.364000       2.245000      ?             ?      
1 1 1 34 50 13 o -0.7883000     2.261000      ?             ?      
1 1 1 34 50 14 o -0.1216000     1.402000      ?             ?      
1 1 1 34 50 15 o 0.7334000E-01  1.219000      ?             ?      
1 1 1 34 50 16 o 0.6444000      1.239000      ?             ?      
1 1 1 34 50 17 o -1.668000      1.367000      ?             ?      
1 1 1 34 50 18 o 0.1676000      1.399000      ?             ?      
1 1 1 34 50 19 o -2.807000      1.579000      ?             ?      
1 1 1 34 50 20 o -0.9623000     2.151000      ?             ?      
1 1 1 34 50 21 o -2.286000      1.121000      ?             ?      
1 1 1 34 51 0  o -0.6770000     1.255000      ?             ?      
1 1 1 34 51 1  o -0.1310000     1.000000      ?             ?      
1 1 1 34 51 2  o 0.8660000      0.9892000     ?             ?      
1 1 1 34 51 3  o -1.586000      1.134000      ?             ?      
1 1 1 34 51 4  o 0.3563000      1.225000      ?             ?      
1 1 1 34 51 5  o -1.128000      1.308000      ?             ?      
1 1 1 34 51 6  o 1.197000       1.512000      ?             ?      
1 1 1 34 51 7  o 1.412000       1.325000      ?             ?      
1 1 1 34 51 8  o 1.145000       1.294000      ?             ?      
1 1 1 34 51 9  o -1.469000      1.170000      ?             ?      
1 1 1 34 51 10 o -1.862000      1.017000      ?             ?      
1 1 1 34 51 11 o 0.9858000      1.573000      ?             ?      
1 1 1 34 51 12 o -0.3050000     1.570000      ?             ?      
1 1 1 34 51 13 o 0.8680000      1.229000      ?             ?      
1 1 1 34 51 14 o 0.2041000      1.221000      ?             ?      
1 1 1 34 51 15 o 7.772000       3.007000      ?             ?      
1 1 1 34 51 16 o 1.546000       2.105000      ?             ?      
1 1 1 34 51 17 o -1.287000      2.099000      ?             ?      
1 1 1 34 51 18 o -0.1767000     2.185000      ?             ?      
1 1 1 34 52 0  o -1.902000      1.242000      ?             ?      
1 1 1 34 52 1  o -1.456000      0.8850000     ?             ?      
1 1 1 34 52 2  o 0.1181000      1.288000      ?             ?      
1 1 1 34 52 3  o -1.400000      1.135000      ?             ?      
1 1 1 34 52 4  o -1.572000      1.127000      ?             ?      
1 1 1 34 52 5  o 0.4822000      1.197000      ?             ?      
1 1 1 34 52 6  o 0.8131000      1.375000      ?             ?      
1 1 1 34 52 7  o -1.136000      1.303000      ?             ?      
1 1 1 34 52 8  o 1.666000       1.168000      ?             ?      
1 1 1 34 52 9  o 0.5778000E-01  1.519000      ?             ?      
1 1 1 34 52 10 o 2.171000       2.045000      ?             ?      
1 1 1 34 52 11 o 2.497000       2.087000      ?             ?      
1 1 1 34 52 12 o -2.569000      1.629000      ?             ?      
1 1 1 34 52 13 o -1.001000      1.561000      ?             ?      
1 1 1 34 53 0  o 0.5358000      1.336000      ?             ?      
1 1 1 34 53 1  o 0.2924000      0.9558000     ?             ?      
1 1 1 34 53 2  o -0.3041000     1.024000      ?             ?      
1 1 1 34 53 3  o -2.140000      1.523000      ?             ?      
1 1 1 34 53 4  o -0.4991000     1.475000      ?             ?      
1 1 1 34 53 5  o -1.044000      1.509000      ?             ?      
1 1 1 34 53 6  o 1.327000       1.581000      ?             ?      
1 1 1 34 53 7  o -1.700000      2.527000      ?             ?      
1 1 1 35 0  1  o 0.1013000      1.896000      34.03047      -90.0  
1 1 1 35 0  2  o -1.918000      1.887000      39.66484      180.0  
1 1 1 35 0  3  o -1.687000      1.834000      87.32265      90.0   
1 1 1 35 0  4  o 0.2143000      1.807000      82.02731      0.0    
1 1 1 35 0  5  o -1.612000      1.783000      63.64537      -90.0  
1 1 1 35 0  6  o -1.093000      1.835000      10.21030      0.0    
1 1 1 35 0  7  o -0.2511000     1.685000      83.11543      90.0   
1 1 1 35 0  8  o -0.6610000     1.503000      45.55904      -180.0 
1 1 1 35 0  9  o 1.004000       1.588000      25.15382      -90.0  
1 1 1 35 0  10 o -1.333000      1.766000      61.82665      -180.0 
1 1 1 35 0  11 o -2.133000      1.564000      68.52367      -90.0  
1 1 1 35 0  12 o 1.518000       1.562000      55.53665      -0.0   
1 1 1 35 0  13 o -1.910000      1.545000      25.77467      -90.0  
1 1 1 35 0  14 o -3.108000      1.473000      92.18453      0.0    
1 1 1 35 0  15 o 0.6122000      1.463000      57.26645      90.0   
1 1 1 35 0  16 o -0.4300000E-01 1.444000      18.48105      0.0    
1 1 1 35 0  17 o 0.2031000      1.425000      136.3874      -90.0  
1 1 1 35 0  18 o -1.841000      1.412000      183.2984      180.0  
1 1 1 35 0  19 o -1.307000      1.388000      66.71278      90.0   
1 1 1 35 0  20 o 4.103000       1.378000      11.04900      -0.0   
1 1 1 35 0  21 o 1.086000       1.366000      13.31045      -90.0  
1 1 1 35 0  22 o 2.755000       1.409000      36.29120      -180.0 
1 1 1 35 0  23 o -0.7072000     1.452000      132.9966      -90.0  
1 1 1 35 0  24 o 0.6632000      1.474000      110.5141      180.0  
1 1 1 35 0  25 o -1.190000      1.425000      38.21122      90.0   
1 1 1 35 0  26 o 1.349000       1.420000      121.2307      -0.0   
1 1 1 35 0  27 o 1.248000       1.458000      18.47798      90.0   
1 1 1 35 0  28 f -1.254000      1.543000      28.74629      -0.0   
1 1 1 35 0  29 o 0.3761000E-01  1.601000      34.53361      90.0   
1 1 1 35 0  30 o 0.4040000      1.603000      13.66617      0.0    
1 1 1 35 0  31 o -0.7483000     1.563000      60.68583      -90.0  
1 1 1 35 0  32 o 0.1536000      1.534000      15.46844      180.0  
1 1 1 35 0  33 o -0.8956000     1.534000      25.57308      -90.0  
1 1 1 35 0  34 o -0.3844000E-01 1.724000      13.17257      180.0  
1 1 1 35 0  35 o 0.6991000      1.777000      63.90373      -90.0  
1 1 1 35 0  36 o -2.893000      2.021000      77.15889      180.0  
1 1 1 35 0  37 o 2.192000       1.944000      104.8651      90.0   
1 1 1 35 0  38 o 1.211000       2.254000      12.98345      180.0  
1 1 1 35 0  39 o 1.321000       2.608000      ?             ?      
1 1 1 35 0  40 o -0.4242000     2.845000      ?             ?      
1 1 1 35 0  41 o 1.410000       2.188000      ?             ?      
1 1 1 35 0  42 o -2.142000      2.173000      ?             ?      
1 1 1 35 0  43 o 1.635000       1.882000      ?             ?      
1 1 1 35 0  44 o -0.7413000     1.881000      ?             ?      
1 1 1 35 0  45 o -1.135000      1.573000      ?             ?      
1 1 1 35 0  46 o 1.284000       1.555000      ?             ?      
1 1 1 35 0  47 o -1.078000      1.523000      ?             ?      
1 1 1 35 0  48 o -1.106000      1.546000      ?             ?      
1 1 1 35 0  49 o 0.5077000      1.723000      ?             ?      
1 1 1 35 0  50 o -0.2563000     1.593000      ?             ?      
1 1 1 35 0  51 o -0.4294000     1.992000      ?             ?      
1 1 1 35 0  52 o -1.007000      2.021000      ?             ?      
1 1 1 35 0  53 o -1.023000      1.612000      ?             ?      
1 1 1 35 0  54 o 0.2298000      1.632000      ?             ?      
1 1 1 35 0  55 o 0.5315000      1.625000      ?             ?      
1 1 1 35 0  56 o 2.092000       1.637000      ?             ?      
1 1 1 35 0  57 o 0.9880000      1.678000      ?             ?      
1 1 1 35 0  58 o -2.060000      2.121000      ?             ?      
1 1 1 35 0  59 o -2.786000      2.583000      ?             ?      
1 1 1 35 0  60 o -0.6275000     2.266000      ?             ?      
1 1 1 35 1  0  o -0.3585000     1.871000      75.09872      -90.0  
1 1 1 35 1  1  o -0.9902000     1.330000      72.96291      -138.1 
1 1 1 35 1  2  o 1.726000       1.325000      142.5554      -137.0 
1 1 1 35 1  3  o -2.121000      1.292000      19.17042      -0.8   
1 1 1 35 1  4  o 0.9677000E-01  1.283000      154.1580      -92.5  
1 1 1 35 1  5  o -0.6514000     1.267000      26.57897      88.8   
1 1 1 35 1  6  o -0.5189000     1.284000      75.38659      48.1   
1 1 1 35 1  7  o 1.903000       1.191000      7.859481      -87.4  
1 1 1 35 1  8  o -0.3696000     1.156000      30.63930      -122.3 
1 1 1 35 1  9  o -1.180000      1.133000      33.04610      117.8  
1 1 1 35 1  10 o -1.493000      1.164000      56.17285      -178.2 
1 1 1 35 1  11 o 0.1176000      1.120000      54.55406      -167.7 
1 1 1 35 1  12 o -0.9706000     1.102000      93.70856      44.3   
1 1 1 35 1  13 o -1.993000      1.080000      127.2519      -92.0  
1 1 1 35 1  14 o 0.4879000      1.057000      53.52603      59.7   
1 1 1 35 1  15 o -0.5189000     1.042000      48.39279      2.2    
1 1 1 35 1  16 o -0.4234000     1.029000      38.16110      124.0  
1 1 1 35 1  17 o -0.3578000     1.025000      93.62916      -117.1 
1 1 1 35 1  18 o -0.2012000     1.007000      29.13951      -171.8 
1 1 1 35 1  19 o -0.2325000     0.9849000     19.19894      -48.0  
1 1 1 35 1  20 o -2.632000      0.9707000     40.35038      109.1  
1 1 1 35 1  21 o -0.1735000     0.9709000     25.76901      -100.5 
1 1 1 35 1  22 o -0.4196000     0.9875000     68.58123      69.2   
1 1 1 35 1  23 o 0.1509000      1.020000      41.92062      -18.2  
1 1 1 35 1  24 o 1.113000       1.024000      63.97085      128.8  
1 1 1 35 1  25 o -0.3363000     1.010000      13.41283      -113.8 
1 1 1 35 1  26 o -0.8907000     1.011000      59.67469      141.5  
1 1 1 35 1  27 o -1.637000      1.048000      49.37450      -138.9 
1 1 1 35 1  28 o 0.6651000E-01  1.103000      152.6488      -61.2  
1 1 1 35 1  29 o 0.2734000      1.130000      58.28605      165.1  
1 1 1 35 1  30 o -0.1058000     1.130000      53.04319      111.0  
1 1 1 35 1  31 o -2.453000      1.103000      39.50676      -35.3  
1 1 1 35 1  32 o 0.2657000      1.083000      23.08945      -35.4  
1 1 1 35 1  33 o -0.9409000     1.204000      3.050654      138.2  
1 1 1 35 1  34 o -0.5525000     1.245000      58.04925      -31.3  
1 1 1 35 1  35 o 2.678000       1.250000      102.8746      -131.2 
1 1 1 35 1  36 o 1.128000       1.309000      84.80471      52.9   
1 1 1 35 1  37 o -0.5083000     1.290000      27.62004      11.6   
1 1 1 35 1  38 o -1.820000      1.626000      48.49242      51.0   
1 1 1 35 1  39 o -2.901000      1.748000      ?             ?      
1 1 1 35 1  40 o -2.106000      2.051000      ?             ?      
1 1 1 35 1  41 o 0.9293000      1.530000      ?             ?      
1 1 1 35 1  42 o 0.7152000      1.623000      ?             ?      
1 1 1 35 1  43 o -0.3635000     1.444000      ?             ?      
1 1 1 35 1  44 o -1.456000      1.216000      ?             ?      
1 1 1 35 1  45 o 0.5843000      1.135000      ?             ?      
1 1 1 35 1  46 o 0.7164000      1.173000      ?             ?      
1 1 1 35 1  47 o 1.141000       1.171000      ?             ?      
1 1 1 35 1  48 o -1.976000      1.084000      ?             ?      
1 1 1 35 1  49 o -0.1707000     1.238000      ?             ?      
1 1 1 35 1  50 o 0.7385000      1.120000      ?             ?      
1 1 1 35 1  51 o 0.8632000E-01  1.169000      ?             ?      
1 1 1 35 1  52 o 0.7722000      1.191000      ?             ?      
1 1 1 35 1  53 o -0.2195000E-02 1.295000      ?             ?      
1 1 1 35 1  54 o 1.145000       1.303000      ?             ?      
1 1 1 35 1  55 o -1.693000      1.161000      ?             ?      
1 1 1 35 1  56 o -1.374000      1.172000      ?             ?      
1 1 1 35 1  57 o -0.9264000     1.190000      ?             ?      
1 1 1 35 1  58 o -0.4575000     1.516000      ?             ?      
1 1 1 35 1  59 o 0.1380000      1.579000      ?             ?      
1 1 1 35 1  60 o -0.5684000     1.487000      ?             ?      
1 1 1 35 2  0  o -1.174000      1.854000      143.3166      -90.0  
1 1 1 35 2  1  o -1.305000      1.319000      135.2467      -68.9  
1 1 1 35 2  2  o 1.098000       1.303000      144.5072      173.4  
1 1 1 35 2  3  o -1.539000      1.294000      184.3278      -57.8  
1 1 1 35 2  4  o 0.6216000      1.280000      95.10467      -141.3 
1 1 1 35 2  5  o -0.5058000     1.299000      140.4867      -28.1  
1 1 1 35 2  6  o -2.354000      1.286000      98.83165      110.2  
1 1 1 35 2  7  o 0.6969000E-01  1.129000      78.21445      74.7   
1 1 1 35 2  8  o 0.7363000      1.163000      69.41732      -25.9  
1 1 1 35 2  9  o -0.4343000     1.172000      70.82571      -155.3 
1 1 1 35 2  10 o -2.079000      1.184000      102.1547      117.6  
1 1 1 35 2  11 o 0.3075000      1.217000      37.20967      139.8  
1 1 1 35 2  12 o -0.6459000E-01 1.118000      39.35213      -43.9  
1 1 1 35 2  13 o -0.8599000     1.092000      42.15390      51.7   
1 1 1 35 2  14 o 0.7598000      1.083000      78.89437      142.8  
1 1 1 35 2  15 o 0.6157000      1.050000      89.63931      -37.4  
1 1 1 35 2  16 o -0.5793000E-01 1.042000      47.41003      -70.1  
1 1 1 35 2  17 o 0.7078000      1.036000      110.1570      -72.4  
1 1 1 35 2  18 o 0.3666000      1.021000      158.0374      -163.0 
1 1 1 35 2  19 o -2.036000      1.003000      31.33037      79.8   
1 1 1 35 2  20 o -0.5081000     0.9841000     42.68889      140.6  
1 1 1 35 2  21 o 0.3753000      0.9805000     52.15990      -130.8 
1 1 1 35 2  22 o -0.9015000     0.9879000     86.93128      170.8  
1 1 1 35 2  23 o 0.9250000      1.019000      78.87226      -92.8  
1 1 1 35 2  24 o -0.3191000     1.019000      57.02987      -132.3 
1 1 1 35 2  25 o -0.9295000     1.027000      103.3910      -30.9  
1 1 1 35 2  26 o -0.5372000E-01 1.030000      28.76740      23.6   
1 1 1 35 2  27 o -0.3551000     1.053000      127.8886      23.2   
1 1 1 35 2  28 o 0.8720000E-01  1.093000      57.21120      21.0   
1 1 1 35 2  29 o -0.3146000     1.119000      34.60867      -19.0  
1 1 1 35 2  30 o -0.6495000     1.125000      54.48550      -114.2 
1 1 1 35 2  31 o 1.190000       1.163000      33.76578      57.1   
1 1 1 35 2  32 o -0.7931000     1.175000      65.52393      3.1    
1 1 1 35 2  33 o 0.6683000      1.202000      112.3230      48.0   
1 1 1 35 2  34 o -0.3651000     1.225000      26.98725      -13.2  
1 1 1 35 2  35 o -2.105000      1.297000      58.08641      111.7  
1 1 1 35 2  36 o 0.7636000      1.224000      40.56445      117.5  
1 1 1 35 2  37 o -0.6942000     1.238000      82.89661      78.5   
1 1 1 35 2  38 o 0.2896000      1.400000      78.08773      -98.9  
1 1 1 35 2  39 o -0.5173000     1.803000      ?             ?      
1 1 1 35 2  40 o -1.845000      1.997000      ?             ?      
1 1 1 35 2  41 o 0.9989000      1.570000      ?             ?      
1 1 1 35 2  42 o -0.8389000     1.614000      ?             ?      
1 1 1 35 2  43 o -0.4554000     1.379000      ?             ?      
1 1 1 35 2  44 o -0.7882000     1.373000      ?             ?      
1 1 1 35 2  45 o 0.9731000      1.265000      ?             ?      
1 1 1 35 2  46 o -0.8507000     1.267000      ?             ?      
1 1 1 35 2  47 o -1.281000      1.263000      ?             ?      
1 1 1 35 2  48 o 0.7943000      1.087000      ?             ?      
1 1 1 35 2  49 o 0.9538000E-01  1.091000      ?             ?      
1 1 1 35 2  50 o -1.778000      1.091000      ?             ?      
1 1 1 35 2  51 o -1.152000      1.106000      ?             ?      
1 1 1 35 2  52 o -0.3489000     1.122000      ?             ?      
1 1 1 35 2  53 o -0.5718000     1.203000      ?             ?      
1 1 1 35 2  54 o -0.2731000E-01 1.221000      ?             ?      
1 1 1 35 2  55 o -0.3251000     1.174000      ?             ?      
1 1 1 35 2  56 o -1.266000      1.334000      ?             ?      
1 1 1 35 2  57 o 1.846000       1.360000      ?             ?      
1 1 1 35 2  58 o 0.7928000      1.368000      ?             ?      
1 1 1 35 2  59 o -1.193000      1.980000      ?             ?      
1 1 1 35 2  60 o -1.078000      1.440000      ?             ?      
1 1 1 35 3  0  o 2.810000       1.841000      222.0961      -90.0  
1 1 1 35 3  1  o -0.7410000     1.296000      145.8116      -72.5  
1 1 1 35 3  2  o -0.3809000E-01 1.299000      59.87089      -92.6  
1 1 1 35 3  3  o 0.8307000      1.315000      227.2546      -37.2  
1 1 1 35 3  4  o -0.6249000     1.310000      116.8112      84.8   
1 1 1 35 3  5  o -2.644000      1.298000      67.71421      13.5   
1 1 1 35 3  6  o -1.041000      1.220000      102.1788      14.9   
1 1 1 35 3  7  o -1.432000      1.161000      132.2083      -144.5 
1 1 1 35 3  8  o 0.2378000      1.176000      83.47204      -48.8  
1 1 1 35 3  9  o -0.9675000     1.170000      116.7786      -98.5  
1 1 1 35 3  10 o -0.5437000     1.221000      197.4301      -152.5 
1 1 1 35 3  11 o 0.3202000E-01  1.193000      166.2336      132.7  
1 1 1 35 3  12 o 0.1910000      1.209000      139.9975      -46.4  
1 1 1 35 3  13 o 2.090000       1.108000      211.8560      -46.7  
1 1 1 35 3  14 o -0.8581000E-01 1.090000      192.4125      44.2   
1 1 1 35 3  15 o 1.190000       1.064000      113.0563      -121.4 
1 1 1 35 3  16 o 1.858000       1.054000      201.5484      -12.3  
1 1 1 35 3  17 o 0.2358000      1.029000      61.61591      17.6   
1 1 1 35 3  18 o 0.3806000      1.020000      90.19586      54.5   
1 1 1 35 3  19 o 1.760000       1.018000      251.9005      -125.2 
1 1 1 35 3  20 o -0.2991000     0.9961000     83.08655      87.6   
1 1 1 35 3  21 o -0.9234000     0.9875000     208.8902      -151.2 
1 1 1 35 3  22 o -0.2424000     1.001000      110.9847      76.4   
1 1 1 35 3  23 o 2.824000       1.054000      90.02171      -62.9  
1 1 1 35 3  24 o -1.121000      1.013000      61.03321      43.9   
1 1 1 35 3  25 o 0.2693000      1.028000      42.39159      -35.9  
1 1 1 35 3  26 o -0.2548000     1.046000      109.0872      -123.3 
1 1 1 35 3  27 o 0.4172000      1.071000      103.3497      84.8   
1 1 1 35 3  28 o -0.8762000     1.090000      105.4172      9.6    
1 1 1 35 3  29 o 0.8705000      1.160000      122.3392      169.9  
1 1 1 35 3  30 o -1.832000      1.182000      36.55853      -48.3  
1 1 1 35 3  31 o -1.771000      1.201000      44.58862      162.6  
1 1 1 35 3  32 o -1.270000      1.162000      121.2334      152.5  
1 1 1 35 3  33 o -0.2573000     1.143000      73.83592      -124.6 
1 1 1 35 3  34 o -0.8934000     1.171000      74.29181      -62.0  
1 1 1 35 3  35 o -2.295000      1.183000      102.6382      178.8  
1 1 1 35 3  36 o 0.3563000      1.225000      89.11023      3.9    
1 1 1 35 3  37 o 0.5930000      1.434000      137.5607      38.4   
1 1 1 35 3  38 o -1.837000      1.396000      66.31982      -157.7 
1 1 1 35 3  39 o -1.868000      2.198000      ?             ?      
1 1 1 35 3  40 o -0.9930000     2.036000      ?             ?      
1 1 1 35 3  41 o -1.324000      1.592000      ?             ?      
1 1 1 35 3  42 o -0.7235000     1.613000      ?             ?      
1 1 1 35 3  43 o -0.4364000     1.396000      ?             ?      
1 1 1 35 3  44 o 0.4195000      1.662000      ?             ?      
1 1 1 35 3  45 o -0.1163000E-02 1.192000      ?             ?      
1 1 1 35 3  46 o 0.8685000      1.161000      ?             ?      
1 1 1 35 3  47 o -2.166000      1.161000      ?             ?      
1 1 1 35 3  48 o 1.156000       1.089000      ?             ?      
1 1 1 35 3  49 o -0.9440000     1.087000      ?             ?      
1 1 1 35 3  50 o -0.1463000E-01 1.101000      ?             ?      
1 1 1 35 3  51 o -0.3202000     1.107000      ?             ?      
1 1 1 35 3  52 o 2.022000       1.135000      ?             ?      
1 1 1 35 3  53 o 0.2838000      1.594000      ?             ?      
1 1 1 35 3  54 o 0.1517000      1.144000      ?             ?      
1 1 1 35 3  55 o 0.3523000      1.164000      ?             ?      
1 1 1 35 3  56 o -0.7811000     1.238000      ?             ?      
1 1 1 35 3  57 o 1.621000       1.413000      ?             ?      
1 1 1 35 3  58 o -1.165000      1.422000      ?             ?      
1 1 1 35 3  59 o -2.316000      1.951000      ?             ?      
1 1 1 35 3  60 o -2.524000      2.261000      ?             ?      
1 1 1 35 4  0  o -1.998000      1.813000      202.9815      -90.0  
1 1 1 35 4  1  o 0.4004000      1.288000      207.3311      -26.2  
1 1 1 35 4  2  o 0.7405000E-01  1.297000      88.23969      42.1   
1 1 1 35 4  3  o 3.574000       1.334000      334.5100      -56.4  
1 1 1 35 4  4  o 2.338000       1.295000      238.4512      155.0  
1 1 1 35 4  5  o 0.4558000E-02  1.247000      108.0910      -93.3  
1 1 1 35 4  6  o 0.5605000      1.223000      142.4695      62.9   
1 1 1 35 4  7  o -0.2559000     1.158000      186.3239      5.9    
1 1 1 35 4  8  o -0.9806000     1.180000      27.90606      41.1   
1 1 1 35 4  9  o -1.299000      1.169000      53.12566      -109.9 
1 1 1 35 4  10 o 0.7674000      1.243000      172.5399      113.1  
1 1 1 35 4  11 o 1.672000       1.262000      272.7593      51.5   
1 1 1 35 4  12 o 1.447000       1.195000      205.3995      52.8   
1 1 1 35 4  13 o 0.5855000      1.126000      89.52733      82.3   
1 1 1 35 4  14 o 0.9620000      1.115000      362.9950      136.0  
1 1 1 35 4  15 o 0.9826000      1.093000      49.55442      -20.8  
1 1 1 35 4  16 o -0.1931000     1.058000      42.10576      -174.4 
1 1 1 35 4  17 o -1.041000      1.024000      140.7999      -125.0 
1 1 1 35 4  18 o -0.5832000     1.007000      126.8506      -103.9 
1 1 1 35 4  19 o -1.650000      0.9934000     35.63634      74.8   
1 1 1 35 4  20 o 2.065000       0.9951000     155.6729      -105.0 
1 1 1 35 4  21 o 0.6720000      0.9886000     63.41266      126.8  
1 1 1 35 4  22 o 0.2855000      0.9984000     34.23926      -66.9  
1 1 1 35 4  23 o 0.3159000      0.9949000     100.4799      -154.2 
1 1 1 35 4  24 o 0.9649000      1.027000      109.7666      -33.4  
1 1 1 35 4  25 o 1.153000       1.051000      40.18213      -6.0   
1 1 1 35 4  26 o 1.211000       1.130000      193.6680      -126.4 
1 1 1 35 4  27 o 0.7236000      1.181000      165.7348      6.0    
1 1 1 35 4  28 o 0.1637000      1.147000      141.3785      172.1  
1 1 1 35 4  29 o 1.308000       1.155000      39.34688      -24.4  
1 1 1 35 4  30 o 0.4257000      1.143000      3.336600      -55.8  
1 1 1 35 4  31 o -0.6614000     1.085000      139.7693      31.5   
1 1 1 35 4  32 o 0.8209000      1.129000      74.76727      -79.3  
1 1 1 35 4  33 o -1.057000      1.155000      90.45939      146.9  
1 1 1 35 4  34 o 0.4117000      1.184000      106.8930      -37.2  
1 1 1 35 4  35 o -0.8661000     1.190000      251.3533      47.8   
1 1 1 35 4  36 o -0.5891000     1.167000      100.5976      107.7  
1 1 1 35 4  37 o 0.1198000      1.385000      78.85559      23.5   
1 1 1 35 4  38 o -0.8689000     1.406000      101.4636      -162.4 
1 1 1 35 4  39 o 1.823000       1.460000      ?             ?      
1 1 1 35 4  40 o -0.9516000     2.162000      ?             ?      
1 1 1 35 4  41 o 0.1618000      1.470000      ?             ?      
1 1 1 35 4  42 o 0.6098000      1.558000      ?             ?      
1 1 1 35 4  43 o -0.2145000E-01 1.350000      ?             ?      
1 1 1 35 4  44 o 0.2881000      1.213000      ?             ?      
1 1 1 35 4  45 o -0.1830000     1.187000      ?             ?      
1 1 1 35 4  46 o -1.025000      1.242000      ?             ?      
1 1 1 35 4  47 o -0.5887000     1.090000      ?             ?      
1 1 1 35 4  48 o 0.1201000      1.156000      ?             ?      
1 1 1 35 4  49 o -1.071000      1.146000      ?             ?      
1 1 1 35 4  50 o -1.163000      1.090000      ?             ?      
1 1 1 35 4  51 o 0.6381000E-01  1.110000      ?             ?      
1 1 1 35 4  52 o -0.5171000     1.116000      ?             ?      
1 1 1 35 4  53 o 1.777000       1.141000      ?             ?      
1 1 1 35 4  54 o 2.021000       1.145000      ?             ?      
1 1 1 35 4  55 o -0.7793000     1.151000      ?             ?      
1 1 1 35 4  56 o -0.9593000     1.199000      ?             ?      
1 1 1 35 4  57 o 0.1503000      1.344000      ?             ?      
1 1 1 35 4  58 o -1.046000      1.384000      ?             ?      
1 1 1 35 4  59 o -4.232000      2.025000      ?             ?      
1 1 1 35 4  60 o 1.298000       2.785000      ?             ?      
1 1 1 35 5  0  o 0.7927000E-01  1.787000      149.4758      90.0   
1 1 1 35 5  1  o -0.1657000     1.268000      109.6970      -6.3   
1 1 1 35 5  2  o 4.784000       1.448000      233.7514      99.5   
1 1 1 35 5  3  o 1.113000       1.252000      178.8498      -65.4  
1 1 1 35 5  4  o 1.058000       1.205000      273.2823      83.4   
1 1 1 35 5  5  o 4.196000       1.199000      266.6631      -160.1 
1 1 1 35 5  6  o 1.315000       1.185000      48.09148      -33.3  
1 1 1 35 5  7  o -0.3270000     1.144000      39.68369      158.8  
1 1 1 35 5  8  o 0.7342000E-01  1.162000      108.3190      -32.4  
1 1 1 35 5  9  o 2.034000       1.200000      282.0868      -114.5 
1 1 1 35 5  10 o 0.8935000      1.199000      113.8362      140.3  
1 1 1 35 5  11 o 0.9009000      1.230000      141.2640      111.8  
1 1 1 35 5  12 o 1.347000       1.187000      298.8246      -92.5  
1 1 1 35 5  13 o 2.459000       1.197000      254.0303      -146.8 
1 1 1 35 5  14 o 0.3141000      1.100000      172.6697      -128.7 
1 1 1 35 5  15 o 2.184000       1.092000      339.9135      -89.9  
1 1 1 35 5  16 o 5.953000       1.104000      428.8983      50.7   
1 1 1 35 5  17 o 0.3906000      1.028000      55.55868      75.1   
1 1 1 35 5  18 o 1.430000       1.012000      151.8456      38.1   
1 1 1 35 5  19 o -0.7544000     0.9896000     137.8928      -99.8  
1 1 1 35 5  20 o -0.1448000E-01 0.9839000     57.30686      74.4   
1 1 1 35 5  21 o 1.935000       0.9920000     333.2248      -143.2 
1 1 1 35 5  22 o -0.4365000     0.9905000     91.44417      57.5   
1 1 1 35 5  23 o -0.5525000     1.012000      97.69901      42.9   
1 1 1 35 5  24 o -0.1109000     1.084000      149.6263      13.6   
1 1 1 35 5  25 o 4.875000       1.150000      239.0661      -37.3  
1 1 1 35 5  26 o 0.7316000      1.237000      52.93782      -121.7 
1 1 1 35 5  27 o 2.758000       1.145000      202.5052      36.2   
1 1 1 35 5  28 o 0.7897000      1.071000      90.08966      -12.7  
1 1 1 35 5  29 o 1.268000       1.072000      114.5505      156.0  
1 1 1 35 5  30 o -1.628000      1.064000      112.6054      -59.2  
1 1 1 35 5  31 o -0.5054000E-01 1.110000      116.6270      -87.8  
1 1 1 35 5  32 o 2.286000       1.142000      126.9320      -113.4 
1 1 1 35 5  33 o 4.562000       1.183000      117.3052      -86.5  
1 1 1 35 5  34 o 3.118000       1.198000      205.6481      175.0  
1 1 1 35 5  35 o -0.9547000     1.183000      66.93357      -142.2 
1 1 1 35 5  36 o -1.349000      1.170000      72.24162      -30.3  
1 1 1 35 5  37 o -0.8327000     1.398000      137.0224      30.0   
1 1 1 35 5  38 o 2.070000       1.552000      148.6162      177.9  
1 1 1 35 5  39 o 0.4002000      2.087000      ?             ?      
1 1 1 35 5  40 o -0.4969000     1.711000      ?             ?      
1 1 1 35 5  41 o -1.253000      1.415000      ?             ?      
1 1 1 35 5  42 o -0.2661000     1.250000      ?             ?      
1 1 1 35 5  43 o -0.5354000     1.325000      ?             ?      
1 1 1 35 5  44 o -0.3027000     1.195000      ?             ?      
1 1 1 35 5  45 o -0.7492000     1.234000      ?             ?      
1 1 1 35 5  46 o 0.4588000      1.166000      ?             ?      
1 1 1 35 5  47 o -0.4220000     1.082000      ?             ?      
1 1 1 35 5  48 o 0.1088000      1.157000      ?             ?      
1 1 1 35 5  49 o 1.228000       1.155000      ?             ?      
1 1 1 35 5  50 f 1.007000       1.103000      ?             ?      
1 1 1 35 5  51 o -0.4141000     1.172000      ?             ?      
1 1 1 35 5  52 o 0.4276000      1.123000      ?             ?      
1 1 1 35 5  53 o 1.979000       1.142000      ?             ?      
1 1 1 35 5  54 o -1.068000      1.147000      ?             ?      
1 1 1 35 5  55 o -0.4901000E-01 1.174000      ?             ?      
1 1 1 35 5  56 o -0.6827000     1.338000      ?             ?      
1 1 1 35 5  57 o 1.269000       1.351000      ?             ?      
1 1 1 35 5  58 o 0.8270000      1.370000      ?             ?      
1 1 1 35 5  59 o -0.1206000E-01 1.380000      ?             ?      
1 1 1 35 6  0  o -0.8038000E-01 1.640000      233.8247      -90.0  
1 1 1 35 6  1  o -3.069000      1.247000      113.3430      -133.5 
1 1 1 35 6  2  o 2.879000       1.294000      243.4193      -21.7  
1 1 1 35 6  3  o 2.282000       1.294000      288.4049      -102.0 
1 1 1 35 6  4  o 0.7258000      1.170000      85.83157      151.7  
1 1 1 35 6  5  o 2.679000       1.192000      137.1812      -8.4   
1 1 1 35 6  6  o 3.413000       1.197000      191.4429      8.5    
1 1 1 35 6  7  o 1.981000       1.203000      259.5550      -25.4  
1 1 1 35 6  8  o 0.2227000      1.144000      188.9621      -157.4 
1 1 1 35 6  9  o 1.717000       1.189000      167.0506      87.8   
1 1 1 35 6  10 o 10.76000       1.280000      514.9531      60.9   
1 1 1 35 6  11 o 2.915000       1.236000      243.9466      -13.9  
1 1 1 35 6  12 o 0.5269000      1.204000      130.0342      -65.8  
1 1 1 35 6  13 o 3.798000       1.175000      241.3471      63.5   
1 1 1 35 6  14 o 3.559000       1.189000      224.3491      168.3  
1 1 1 35 6  15 o 2.367000       1.092000      294.0565      -167.2 
1 1 1 35 6  16 o -0.6945000     1.073000      117.4727      88.3   
1 1 1 35 6  17 o 3.949000       1.040000      231.7094      157.9  
1 1 1 35 6  18 o 0.5693000      1.012000      111.0389      -8.2   
1 1 1 35 6  19 o 5.101000       1.028000      328.4889      152.7  
1 1 1 35 6  20 o 0.8865000E-01  0.9949000     229.1562      -99.8  
1 1 1 35 6  21 o -1.278000      1.032000      96.84322      141.1  
1 1 1 35 6  22 o 0.1104000      1.046000      146.4854      -50.1  
1 1 1 35 6  23 o 1.836000       1.072000      195.8507      130.2  
1 1 1 35 6  24 o 3.072000       1.103000      196.0628      35.5   
1 1 1 35 6  25 o -0.9510000     1.108000      97.25208      73.4   
1 1 1 35 6  26 f 0.9171000      1.074000      198.2548      -170.2 
1 1 1 35 6  27 o 0.4786000      1.061000      120.6210      32.6   
1 1 1 35 6  28 o 0.8575000      1.077000      178.4808      171.9  
1 1 1 35 6  29 o 0.9029000      1.078000      158.4935      56.3   
1 1 1 35 6  30 o 0.2576000      1.064000      103.2866      -40.6  
1 1 1 35 6  31 o 3.153000       1.133000      228.0214      -25.1  
1 1 1 35 6  32 o 2.821000       1.163000      222.5650      -102.5 
1 1 1 35 6  33 o 1.537000       1.187000      125.0962      -68.6  
1 1 1 35 6  34 o 2.112000       1.261000      263.2640      -24.6  
1 1 1 35 6  35 o 3.257000       1.249000      200.6928      73.0   
1 1 1 35 6  36 o -1.123000      1.293000      190.9636      47.7   
1 1 1 35 6  37 o -0.5930000     1.504000      110.3147      -101.0 
1 1 1 35 6  38 o 1.701000       1.482000      179.5600      85.2   
1 1 1 35 6  39 o 0.5098000      1.399000      ?             ?      
1 1 1 35 6  40 o 2.037000       1.453000      ?             ?      
1 1 1 35 6  41 o 0.8011000      1.371000      ?             ?      
1 1 1 35 6  42 o 1.206000       1.424000      ?             ?      
1 1 1 35 6  43 o 0.4226000E-01  1.212000      ?             ?      
1 1 1 35 6  44 o 0.4256000      1.200000      ?             ?      
1 1 1 35 6  45 o -0.3085000     1.170000      ?             ?      
1 1 1 35 6  46 o -0.5326000     1.158000      ?             ?      
1 1 1 35 6  47 o 0.1555000      1.145000      ?             ?      
1 1 1 35 6  48 o -0.8886000     1.087000      ?             ?      
1 1 1 35 6  49 o -0.2422000     1.092000      ?             ?      
1 1 1 35 6  50 o 0.5097000      1.163000      ?             ?      
1 1 1 35 6  51 o -1.469000      1.181000      ?             ?      
1 1 1 35 6  52 o -1.583000      1.133000      ?             ?      
1 1 1 35 6  53 o 1.136000       1.203000      ?             ?      
1 1 1 35 6  54 o -0.8861000     1.214000      ?             ?      
1 1 1 35 6  55 o 1.118000       1.184000      ?             ?      
1 1 1 35 6  56 o 1.280000       1.331000      ?             ?      
1 1 1 35 6  57 o -0.4143000     1.475000      ?             ?      
1 1 1 35 6  58 o -2.760000      1.358000      ?             ?      
1 1 1 35 6  59 o 0.8368000      1.310000      ?             ?      
1 1 1 35 7  0  o 1.428000       1.590000      41.88205      90.0   
1 1 1 35 7  1  o 0.5941000      1.233000      176.7005      48.6   
1 1 1 35 7  2  o 3.729000       1.266000      206.2839      54.1   
1 1 1 35 7  3  o 11.35000       1.347000      435.5713      1.6    
1 1 1 35 7  4  o 6.499000       1.314000      328.6528      110.0  
1 1 1 35 7  5  o 5.838000       1.384000      345.6864      109.4  
1 1 1 35 7  6  o 5.162000       1.367000      372.0636      23.3   
1 1 1 35 7  7  o 3.451000       1.173000      439.2956      -142.9 
1 1 1 35 7  8  o 3.257000       1.167000      194.2090      -146.2 
1 1 1 35 7  9  o 6.318000       1.193000      375.3616      -112.5 
1 1 1 35 7  10 o 2.610000       1.181000      115.3625      109.5  
1 1 1 35 7  11 o -0.2568000     1.166000      81.36990      143.6  
1 1 1 35 7  12 o 12.94000       1.285000      402.4274      -126.2 
1 1 1 35 7  13 o 6.772000       1.217000      317.0861      -93.4  
1 1 1 35 7  14 o 2.562000       1.190000      221.3947      -171.1 
1 1 1 35 7  15 o 3.967000       1.172000      314.6830      -52.9  
1 1 1 35 7  16 o 1.467000       1.068000      164.1348      -173.5 
1 1 1 35 7  17 o 0.2550000      1.037000      141.4502      -104.7 
1 1 1 35 7  18 o 0.3902000E-01  1.063000      168.0922      -107.4 
1 1 1 35 7  19 o 3.893000       1.082000      381.3771      -30.6  
1 1 1 35 7  20 o 0.5392000      1.048000      176.9878      -143.6 
1 1 1 35 7  21 o 0.6860000E-03  1.095000      96.99888      141.5  
1 1 1 35 7  22 o 1.476000       1.051000      132.9304      70.9   
1 1 1 35 7  23 o 0.3308000E-01  1.023000      151.8753      -21.2  
1 1 1 35 7  24 o -1.324000      1.028000      80.10530      -113.9 
1 1 1 35 7  25 o 3.065000       1.079000      280.8551      -21.4  
1 1 1 35 7  26 o 1.901000       1.092000      246.7354      -103.6 
1 1 1 35 7  27 o 5.326000       1.124000      298.5447      -23.4  
1 1 1 35 7  28 o 0.6400000      1.075000      93.23004      60.4   
1 1 1 35 7  29 o 0.2165000      1.068000      75.18052      131.8  
1 1 1 35 7  30 o 1.508000       1.105000      59.92116      -3.3   
1 1 1 35 7  31 o 4.355000       1.147000      344.8293      -11.2  
1 1 1 35 7  32 o -0.5971000     1.221000      176.1744      40.3   
1 1 1 35 7  33 o 1.710000       1.250000      121.2570      -12.9  
1 1 1 35 7  34 o 3.453000       1.438000      162.2539      151.8  
1 1 1 35 7  35 o -0.5932000     1.401000      103.6555      -101.5 
1 1 1 35 7  36 o 0.5026000E-01  1.265000      75.22758      -142.8 
1 1 1 35 7  37 o -0.4799000E-02 1.316000      152.3428      101.4  
1 1 1 35 7  38 o -0.1595000     1.272000      ?             ?      
1 1 1 35 7  39 o 1.113000       1.314000      ?             ?      
1 1 1 35 7  40 o 1.420000       1.234000      ?             ?      
1 1 1 35 7  41 o 0.9356000      1.349000      ?             ?      
1 1 1 35 7  42 o 1.371000       1.406000      ?             ?      
1 1 1 35 7  43 o 1.126000       1.227000      ?             ?      
1 1 1 35 7  44 o 1.321000       1.326000      ?             ?      
1 1 1 35 7  45 o 1.101000       1.175000      ?             ?      
1 1 1 35 7  46 o 0.4093000      1.219000      ?             ?      
1 1 1 35 7  47 o -0.5435000E-01 1.167000      ?             ?      
1 1 1 35 7  48 o 1.257000       1.104000      ?             ?      
1 1 1 35 7  49 o 0.2123000      1.096000      ?             ?      
1 1 1 35 7  50 o 1.053000       1.088000      ?             ?      
1 1 1 35 7  51 o 2.174000       1.130000      ?             ?      
1 1 1 35 7  52 o 1.498000       1.138000      ?             ?      
1 1 1 35 7  53 o 0.7976000      1.221000      ?             ?      
1 1 1 35 7  54 o 1.225000       1.175000      ?             ?      
1 1 1 35 7  55 o -1.225000      1.369000      ?             ?      
1 1 1 35 7  56 o -1.117000      1.364000      ?             ?      
1 1 1 35 7  57 o 1.998000       2.070000      ?             ?      
1 1 1 35 7  58 o 0.2657000E-01  1.420000      ?             ?      
1 1 1 35 7  59 o 0.6075000      1.285000      ?             ?      
1 1 1 35 8  0  o -2.861000      1.550000      73.17249      90.0   
1 1 1 35 8  1  o 1.366000       1.207000      233.6362      119.5  
1 1 1 35 8  2  o 1.155000       1.218000      126.3388      -54.6  
1 1 1 35 8  3  o 4.000000       1.261000      165.8596      166.2  
1 1 1 35 8  4  o 7.848000       1.302000      361.1416      136.2  
1 1 1 35 8  5  o 10.38000       1.404000      420.1150      46.4   
1 1 1 35 8  6  o 11.98000       1.517000      382.1602      -75.3  
1 1 1 35 8  7  o 3.419000       1.224000      240.0193      -5.8   
1 1 1 35 8  8  o 7.551000       1.254000      354.3613      -67.1  
1 1 1 35 8  9  o 4.772000       1.187000      275.0803      76.6   
1 1 1 35 8  10 o 5.660000       1.186000      253.4819      66.7   
1 1 1 35 8  11 o 9.111000       1.209000      280.4566      -47.5  
1 1 1 35 8  12 o 1.943000       1.200000      110.5131      -13.7  
1 1 1 35 8  13 o 0.1168000      1.182000      50.41748      100.5  
1 1 1 35 8  14 o 1.936000       1.174000      85.25937      -135.9 
1 1 1 35 8  15 o 3.076000       1.174000      226.8231      -116.6 
1 1 1 35 8  16 o -0.3742000     1.130000      231.4737      71.6   
1 1 1 35 8  17 o 1.890000       1.137000      276.4896      147.3  
1 1 1 35 8  18 o 0.2476000      1.084000      147.7173      92.5   
1 1 1 35 8  19 o 0.5647000      1.121000      76.12135      27.8   
1 1 1 35 8  20 o 1.967000       1.060000      284.2636      126.7  
1 1 1 35 8  21 o 0.5206000      1.003000      62.78438      24.5   
1 1 1 35 8  22 o 5.708000       1.051000      246.0198      19.1   
1 1 1 35 8  23 o 7.996000       1.098000      378.7705      112.3  
1 1 1 35 8  24 o 4.014000       1.094000      401.0381      63.3   
1 1 1 35 8  25 o 0.5912000E-01  1.082000      68.98843      157.2  
1 1 1 35 8  26 o 9.130000       1.137000      357.7732      122.2  
1 1 1 35 8  27 o 1.525000       1.083000      209.6827      -1.8   
1 1 1 35 8  28 o 4.858000       1.087000      275.8588      152.3  
1 1 1 35 8  29 o 1.867000       1.163000      62.29066      131.5  
1 1 1 35 8  30 o -1.532000      1.160000      60.67937      -8.8   
1 1 1 35 8  31 o -0.2388000     1.135000      119.5601      83.9   
1 1 1 35 8  32 o 1.898000       1.460000      221.4039      167.4  
1 1 1 35 8  33 o 2.473000       1.195000      190.4096      11.2   
1 1 1 35 8  34 o 2.459000       1.157000      96.13700      33.8   
1 1 1 35 8  35 o 0.6550000E-01  1.163000      47.05117      27.3   
1 1 1 35 8  36 o 1.301000       1.303000      79.01965      -34.6  
1 1 1 35 8  37 o 3.755000       1.386000      257.2984      120.7  
1 1 1 35 8  38 o -0.7243000     1.307000      ?             ?      
1 1 1 35 8  39 o -0.8414000     1.163000      ?             ?      
1 1 1 35 8  40 o 1.568000       1.134000      ?             ?      
1 1 1 35 8  41 o 0.9522000      1.339000      ?             ?      
1 1 1 35 8  42 o 1.026000       1.330000      ?             ?      
1 1 1 35 8  43 o 0.8545000      1.231000      ?             ?      
1 1 1 35 8  44 o 4.165000       1.243000      ?             ?      
1 1 1 35 8  45 o -1.155000      1.187000      ?             ?      
1 1 1 35 8  46 o -0.1001000     1.154000      ?             ?      
1 1 1 35 8  47 o 0.3810000      1.157000      ?             ?      
1 1 1 35 8  48 o -1.339000      1.148000      ?             ?      
1 1 1 35 8  49 o -0.1042000     1.089000      ?             ?      
1 1 1 35 8  50 o 0.7874000      1.106000      ?             ?      
1 1 1 35 8  51 o -1.404000      1.118000      ?             ?      
1 1 1 35 8  52 o 0.7482000      1.128000      ?             ?      
1 1 1 35 8  53 o 1.835000       1.152000      ?             ?      
1 1 1 35 8  54 o -1.425000      1.146000      ?             ?      
1 1 1 35 8  55 o 0.6074000      1.471000      ?             ?      
1 1 1 35 8  56 o 0.4206000      1.573000      ?             ?      
1 1 1 35 8  57 o 0.8034000      1.330000      ?             ?      
1 1 1 35 8  58 o -0.7288000     1.315000      ?             ?      
1 1 1 35 8  59 o -1.720000      1.689000      ?             ?      
1 1 1 35 9  0  o 1.038000       1.516000      51.65609      -90.0  
1 1 1 35 9  1  o 1.326000       1.191000      140.0572      -16.8  
1 1 1 35 9  2  f 0.2686000      1.192000      30.48274      154.8  
1 1 1 35 9  3  o 6.643000       1.245000      344.9608      53.3   
1 1 1 35 9  4  o 2.461000       1.290000      226.3119      134.8  
1 1 1 35 9  5  o 1.982000       1.328000      165.5199      33.2   
1 1 1 35 9  6  o 13.51000       1.363000      529.8474      128.6  
1 1 1 35 9  7  o 3.520000       1.240000      229.6356      -73.3  
1 1 1 35 9  8  o 8.501000       1.277000      412.2826      -126.7 
1 1 1 35 9  9  o 4.039000       1.211000      320.7365      -78.4  
1 1 1 35 9  10 f 9.730000       1.198000      349.9506      96.6   
1 1 1 35 9  11 o 5.814000       1.213000      153.7789      179.2  
1 1 1 35 9  12 o 4.438000       1.221000      200.3095      -82.1  
1 1 1 35 9  13 o 15.38000       1.317000      402.8681      -75.2  
1 1 1 35 9  14 o 0.8520000      1.186000      197.8748      135.0  
1 1 1 35 9  15 o 6.445000       1.188000      294.4219      -98.1  
1 1 1 35 9  16 o 1.412000       1.233000      262.4801      -118.8 
1 1 1 35 9  17 o 2.042000       1.093000      72.69939      5.7    
1 1 1 35 9  18 o 6.957000       1.073000      378.6727      -135.8 
1 1 1 35 9  19 o 4.426000       1.031000      251.6383      -33.2  
1 1 1 35 9  20 o 1.867000       1.019000      279.8886      163.3  
1 1 1 35 9  21 o 8.493000       1.070000      274.4749      175.3  
1 1 1 35 9  22 o 6.663000       1.077000      318.9058      -71.8  
1 1 1 35 9  23 o 0.8766000      1.062000      181.5103      -129.6 
1 1 1 35 9  24 o 14.33000       1.183000      428.5212      -142.5 
1 1 1 35 9  25 o 0.6768000      1.098000      171.9703      -65.5  
1 1 1 35 9  26 o 0.4231000      1.104000      218.2982      -39.5  
1 1 1 35 9  27 o 2.141000       1.147000      158.3134      -44.9  
1 1 1 35 9  28 o 1.164000       1.136000      58.87645      125.4  
1 1 1 35 9  29 o 2.031000       1.376000      78.24651      -131.8 
1 1 1 35 9  30 o 1.984000       1.397000      136.6803      11.7   
1 1 1 35 9  31 o 1.428000       1.136000      97.67387      -41.4  
1 1 1 35 9  32 o 3.478000       1.174000      210.6841      69.4   
1 1 1 35 9  33 o 4.960000       1.187000      273.7319      -46.1  
1 1 1 35 9  34 o 2.506000       1.157000      132.4636      121.8  
1 1 1 35 9  35 o 1.938000       1.271000      212.4547      -125.2 
1 1 1 35 9  36 o 2.819000       1.302000      230.4498      89.9   
1 1 1 35 9  37 o -0.7813000     1.365000      18.47526      85.3   
1 1 1 35 9  38 o 1.243000       1.216000      ?             ?      
1 1 1 35 9  39 o 0.6202000      1.138000      ?             ?      
1 1 1 35 9  40 o -0.3242000     1.065000      ?             ?      
1 1 1 35 9  41 o -0.2017000E-01 1.328000      ?             ?      
1 1 1 35 9  42 o 0.8008000      1.326000      ?             ?      
1 1 1 35 9  43 o 0.4218000      1.385000      ?             ?      
1 1 1 35 9  44 o 0.5848000      1.191000      ?             ?      
1 1 1 35 9  45 o 0.6736000      1.169000      ?             ?      
1 1 1 35 9  46 o 0.4844000      1.152000      ?             ?      
1 1 1 35 9  47 o 1.255000       1.218000      ?             ?      
1 1 1 35 9  48 o 0.8410000      1.153000      ?             ?      
1 1 1 35 9  49 o 1.103000       1.122000      ?             ?      
1 1 1 35 9  50 o 0.1958000      1.122000      ?             ?      
1 1 1 35 9  51 o 5.188000       1.165000      ?             ?      
1 1 1 35 9  52 o -0.3699000E-01 1.123000      ?             ?      
1 1 1 35 9  53 o -0.6095000     1.131000      ?             ?      
1 1 1 35 9  54 o 0.1569000      1.154000      ?             ?      
1 1 1 35 9  55 o -0.7572000     1.291000      ?             ?      
1 1 1 35 9  56 o 0.5950000      1.308000      ?             ?      
1 1 1 35 9  57 o 2.771000       2.058000      ?             ?      
1 1 1 35 9  58 o 1.189000       1.282000      ?             ?      
1 1 1 35 9  59 o -0.4829000E-01 1.206000      ?             ?      
1 1 1 35 10 0  o 2.719000       1.562000      138.1230      90.0   
1 1 1 35 10 1  o 1.914000       1.184000      299.5570      166.0  
1 1 1 35 10 2  o 2.586000       1.205000      198.5022      168.8  
1 1 1 35 10 3  o 1.127000       1.204000      150.0466      42.3   
1 1 1 35 10 4  o -1.770000      1.262000      64.25093      -94.8  
1 1 1 35 10 5  o 7.033000       1.448000      458.9372      -62.5  
1 1 1 35 10 6  o 2.697000       1.243000      230.3181      -93.3  
1 1 1 35 10 7  o 4.061000       1.238000      184.1387      13.6   
1 1 1 35 10 8  o 2.842000       1.223000      178.0252      -1.8   
1 1 1 35 10 9  o 3.713000       1.231000      186.9799      -178.6 
1 1 1 35 10 10 o 0.1963000      1.202000      76.08280      177.7  
1 1 1 35 10 11 o 0.7934000      1.108000      80.41588      -49.8  
1 1 1 35 10 12 o 1.025000       1.144000      224.6944      -7.3   
1 1 1 35 10 13 o 7.609000       1.264000      361.5834      97.0   
1 1 1 35 10 14 o 12.62000       1.302000      402.0715      -25.5  
1 1 1 35 10 15 o 1.623000       1.171000      147.0296      -98.0  
1 1 1 35 10 16 o -0.6060000     1.220000      133.9748      128.3  
1 1 1 35 10 17 o -0.3234000     1.104000      229.0940      30.5   
1 1 1 35 10 18 o 4.706000       1.042000      200.3614      47.4   
1 1 1 35 10 19 o 0.6316000      1.027000      287.0097      -32.7  
1 1 1 35 10 20 o 3.302000       1.026000      234.6037      140.6  
1 1 1 35 10 21 o 11.23000       1.107000      451.4244      -51.9  
1 1 1 35 10 22 o -0.2487000     1.045000      188.6980      -66.9  
1 1 1 35 10 23 o 6.403000       1.363000      495.4760      64.1   
1 1 1 35 10 24 o 3.041000       1.182000      158.0017      123.0  
1 1 1 35 10 25 o 0.7044000      1.143000      40.84015      -127.0 
1 1 1 35 10 26 o 14.55000       1.391000      443.9537      71.3   
1 1 1 35 10 27 o 1.591000       1.290000      195.0731      4.0    
1 1 1 35 10 28 o 1.710000       1.126000      183.1669      168.6  
1 1 1 35 10 29 o 0.1841000      1.077000      32.59370      44.2   
1 1 1 35 10 30 o 2.232000       1.108000      77.40562      64.3   
1 1 1 35 10 31 o 4.654000       1.162000      338.2154      99.9   
1 1 1 35 10 32 o -0.4913000     1.147000      126.8735      99.8   
1 1 1 35 10 33 o 1.883000       1.168000      282.5804      28.1   
1 1 1 35 10 34 o 0.3408000      1.151000      88.03449      56.1   
1 1 1 35 10 35 o 10.27000       1.360000      363.7889      158.2  
1 1 1 35 10 36 o 1.382000       1.304000      225.8369      151.5  
1 1 1 35 10 37 o 1.045000       1.281000      234.6216      179.2  
1 1 1 35 10 38 o 2.838000       1.197000      ?             ?      
1 1 1 35 10 39 o 0.5033000      1.084000      ?             ?      
1 1 1 35 10 40 o -1.119000      1.066000      ?             ?      
1 1 1 35 10 41 o 0.4399000E-01  1.094000      ?             ?      
1 1 1 35 10 42 o -0.5961000     1.313000      ?             ?      
1 1 1 35 10 43 o 4.052000       1.401000      ?             ?      
1 1 1 35 10 44 o -0.7362000     1.175000      ?             ?      
1 1 1 35 10 45 o -0.3322000     1.175000      ?             ?      
1 1 1 35 10 46 o -0.5745000     1.150000      ?             ?      
1 1 1 35 10 47 o 1.071000       1.172000      ?             ?      
1 1 1 35 10 48 f 1.115000       1.167000      ?             ?      
1 1 1 35 10 49 o 0.1629000      1.185000      ?             ?      
1 1 1 35 10 50 o 1.680000       1.130000      ?             ?      
1 1 1 35 10 51 o -0.8087000E-01 1.141000      ?             ?      
1 1 1 35 10 52 o 0.1392000      1.138000      ?             ?      
1 1 1 35 10 53 o -1.325000      1.124000      ?             ?      
1 1 1 35 10 54 o -0.1441000     1.280000      ?             ?      
1 1 1 35 10 55 o 2.301000       1.363000      ?             ?      
1 1 1 35 10 56 o 1.629000       1.314000      ?             ?      
1 1 1 35 10 57 o -0.1736000     1.275000      ?             ?      
1 1 1 35 10 58 o 1.551000       1.204000      ?             ?      
1 1 1 35 10 59 o 0.1651000      1.605000      ?             ?      
1 1 1 35 11 0  o 7.702000       1.613000      516.0407      -90.0  
1 1 1 35 11 1  o 1.564000       1.193000      254.8511      -37.1  
1 1 1 35 11 2  o 3.478000       1.207000      216.8173      -75.6  
1 1 1 35 11 3  o 2.508000       1.274000      227.3707      57.3   
1 1 1 35 11 4  o 0.4793000      1.280000      207.6668      -76.5  
1 1 1 35 11 5  o 10.03000       1.397000      403.8576      68.6   
1 1 1 35 11 6  o 10.75000       1.364000      408.8755      61.7   
1 1 1 35 11 7  o 7.457000       1.366000      344.7539      -73.5  
1 1 1 35 11 8  o 17.60000       1.383000      491.1703      -115.1 
1 1 1 35 11 9  o 1.727000       1.160000      290.6595      48.9   
1 1 1 35 11 10 o 3.043000       1.160000      377.1271      52.1   
1 1 1 35 11 11 o 0.7070000      1.136000      242.9653      -172.5 
1 1 1 35 11 12 o 7.692000       1.192000      342.2401      -134.9 
1 1 1 35 11 13 o 5.081000       1.195000      228.6441      -17.9  
1 1 1 35 11 14 o 5.464000       1.174000      308.8998      113.1  
1 1 1 35 11 15 o 3.543000       1.134000      220.1657      22.0   
1 1 1 35 11 16 o 1.546000       1.103000      65.79385      -52.6  
1 1 1 35 11 17 o 0.9925000      1.101000      97.13689      105.8  
1 1 1 35 11 18 o 1.957000       1.099000      221.0953      136.1  
1 1 1 35 11 19 o -1.127000      1.011000      150.8400      64.8   
1 1 1 35 11 20 o 1.049000       1.031000      125.7013      96.2   
1 1 1 35 11 21 o 1.026000       1.053000      66.82206      156.5  
1 1 1 35 11 22 o 9.695000       1.181000      410.1582      -29.0  
1 1 1 35 11 23 o 4.918000       1.127000      340.1524      -117.2 
1 1 1 35 11 24 o 13.02000       1.352000      422.3811      174.8  
1 1 1 35 11 25 o 1.486000       1.268000      80.25187      80.3   
1 1 1 35 11 26 o 3.572000       1.116000      171.9783      67.9   
1 1 1 35 11 27 o 1.197000       1.102000      135.1857      -107.6 
1 1 1 35 11 28 o 2.462000       1.178000      109.9423      -46.8  
1 1 1 35 11 29 o 1.164000       1.103000      156.2355      -79.5  
1 1 1 35 11 30 o 0.2411000      1.108000      121.8891      -138.3 
1 1 1 35 11 31 o 1.598000       1.150000      186.5790      132.6  
1 1 1 35 11 32 o 2.275000       1.150000      179.6377      37.3   
1 1 1 35 11 33 o 3.442000       1.147000      228.4602      -76.3  
1 1 1 35 11 34 o 4.402000       1.271000      261.5201      -177.6 
1 1 1 35 11 35 o 1.742000       1.269000      160.8403      -135.7 
1 1 1 35 11 36 o 1.982000       1.438000      138.8461      40.9   
1 1 1 35 11 37 o -1.795000      1.194000      ?             ?      
1 1 1 35 11 38 o 2.192000       1.145000      ?             ?      
1 1 1 35 11 39 o 1.841000       1.084000      ?             ?      
1 1 1 35 11 40 o 1.795000       1.086000      ?             ?      
1 1 1 35 11 41 o 2.924000       1.083000      ?             ?      
1 1 1 35 11 42 o 0.9105000      1.267000      ?             ?      
1 1 1 35 11 43 o 3.752000       1.320000      ?             ?      
1 1 1 35 11 44 o 0.9480000      1.182000      ?             ?      
1 1 1 35 11 45 o 3.457000       1.205000      ?             ?      
1 1 1 35 11 46 o 1.269000       1.158000      ?             ?      
1 1 1 35 11 47 o 0.9787000      1.162000      ?             ?      
1 1 1 35 11 48 o -0.1705000     1.215000      ?             ?      
1 1 1 35 11 49 o 3.511000       1.202000      ?             ?      
1 1 1 35 11 50 o 0.2881000      1.131000      ?             ?      
1 1 1 35 11 51 o 2.369000       1.153000      ?             ?      
1 1 1 35 11 52 o 1.021000       1.148000      ?             ?      
1 1 1 35 11 53 o -1.218000      1.129000      ?             ?      
1 1 1 35 11 54 o -0.3696000     1.580000      ?             ?      
1 1 1 35 11 55 o -0.1918000     1.409000      ?             ?      
1 1 1 35 11 56 o 0.9350000      1.383000      ?             ?      
1 1 1 35 11 57 o 2.828000       1.294000      ?             ?      
1 1 1 35 11 58 o -0.9315000     1.190000      ?             ?      
1 1 1 35 12 0  o 3.078000       1.553000      261.5788      90.0   
1 1 1 35 12 1  o 2.830000       1.197000      217.7393      -31.7  
1 1 1 35 12 2  o 3.178000       1.226000      273.3022      88.4   
1 1 1 35 12 3  o 5.754000       1.298000      291.3226      1.7    
1 1 1 35 12 4  o 10.81000       1.408000      558.8163      -169.9 
1 1 1 35 12 5  o 1.972000       1.419000      110.0222      11.6   
1 1 1 35 12 6  o 8.857000       1.288000      391.9323      87.6   
1 1 1 35 12 7  o 8.200000       1.284000      433.2112      113.0  
1 1 1 35 12 8  o 5.469000       1.231000      292.2690      -135.6 
1 1 1 35 12 9  o -0.5997000     1.150000      82.57820      22.9   
1 1 1 35 12 10 o 1.478000       1.125000      212.8102      -179.0 
1 1 1 35 12 11 o 1.140000       1.121000      194.1445      98.4   
1 1 1 35 12 12 o -1.642000      1.117000      50.34336      -61.9  
1 1 1 35 12 13 o -0.4153000E-01 1.122000      87.54775      122.3  
1 1 1 35 12 14 o 0.6528000      1.120000      76.37627      28.1   
1 1 1 35 12 15 o 9.982000       1.191000      459.9129      -157.3 
1 1 1 35 12 16 o 2.664000       1.130000      209.4681      156.9  
1 1 1 35 12 17 o -0.5790000E-02 1.105000      149.2862      143.5  
1 1 1 35 12 18 o 1.187000       1.113000      179.7466      69.7   
1 1 1 35 12 19 o -0.2652000E-02 1.066000      157.7024      -67.1  
1 1 1 35 12 20 o -0.1735000     1.078000      161.2206      -147.8 
1 1 1 35 12 21 f 3.650000       1.065000      157.0708      -53.2  
1 1 1 35 12 22 o 3.700000       1.237000      190.3939      5.1    
1 1 1 35 12 23 o 4.301000       1.266000      303.9883      80.3   
1 1 1 35 12 24 o 2.223000       1.085000      135.7566      -174.9 
1 1 1 35 12 25 o 0.2532000      1.081000      109.5678      -92.3  
1 1 1 35 12 26 o 1.470000       1.102000      121.1677      61.3   
1 1 1 35 12 27 o 0.7269000      1.093000      43.19587      8.5    
1 1 1 35 12 28 o 8.569000       1.161000      357.5709      43.8   
1 1 1 35 12 29 o -0.8350000     1.099000      99.21203      -8.9   
1 1 1 35 12 30 o -0.6372000     1.110000      42.27694      -52.6  
1 1 1 35 12 31 o 5.104000       1.138000      271.9003      105.4  
1 1 1 35 12 32 o -1.127000      1.121000      108.3137      56.9   
1 1 1 35 12 33 o 1.706000       1.153000      112.1143      90.1   
1 1 1 35 12 34 o 1.562000       1.286000      169.0554      89.3   
1 1 1 35 12 35 o 3.689000       1.304000      175.8887      -156.5 
1 1 1 35 12 36 o 0.3762000      1.238000      184.4374      -172.5 
1 1 1 35 12 37 o 2.723000       1.221000      ?             ?      
1 1 1 35 12 38 o 2.105000       1.088000      ?             ?      
1 1 1 35 12 39 o 1.497000       1.089000      ?             ?      
1 1 1 35 12 40 o -0.1778000     1.064000      ?             ?      
1 1 1 35 12 41 o -0.6479000     1.044000      ?             ?      
1 1 1 35 12 42 o 1.334000       1.271000      ?             ?      
1 1 1 35 12 43 o 0.7294000      1.264000      ?             ?      
1 1 1 35 12 44 o 5.104000       1.385000      ?             ?      
1 1 1 35 12 45 o 0.7727000      1.180000      ?             ?      
1 1 1 35 12 46 o -0.3954000     1.091000      ?             ?      
1 1 1 35 12 47 o -0.1937000     1.141000      ?             ?      
1 1 1 35 12 48 o 1.024000       1.165000      ?             ?      
1 1 1 35 12 49 f 1.754000       1.182000      ?             ?      
1 1 1 35 12 50 o 4.294000       1.218000      ?             ?      
1 1 1 35 12 51 o 0.3275000      1.120000      ?             ?      
1 1 1 35 12 52 o -1.898000      1.118000      ?             ?      
1 1 1 35 12 53 f 2.150000       1.149000      ?             ?      
1 1 1 35 12 54 o -1.035000      1.320000      ?             ?      
1 1 1 35 12 55 o 0.9179000      1.293000      ?             ?      
1 1 1 35 12 56 o -1.226000      1.292000      ?             ?      
1 1 1 35 12 57 o -0.9090000     1.187000      ?             ?      
1 1 1 35 12 58 o 0.9960000      1.206000      ?             ?      
1 1 1 35 13 0  o -3.990000      1.532000      8.205473      90.0   
1 1 1 35 13 1  o 0.6335000      1.207000      62.90798      120.4  
1 1 1 35 13 2  o 0.1012000E-01  1.294000      128.8945      -86.9  
1 1 1 35 13 3  o -0.5277000     1.252000      58.28292      -141.5 
1 1 1 35 13 4  o 0.8836000      1.368000      147.8082      121.0  
1 1 1 35 13 5  o -0.6795000E-01 1.286000      190.3358      -166.4 
1 1 1 35 13 6  o 0.3138000      1.222000      180.0780      -73.8  
1 1 1 35 13 7  o 6.624000       1.283000      312.5064      -83.5  
1 1 1 35 13 8  o 1.874000       1.232000      186.9476      -136.8 
1 1 1 35 13 9  o 0.1995000      1.129000      132.9546      -36.5  
1 1 1 35 13 10 o 1.224000       1.108000      99.97825      135.8  
1 1 1 35 13 11 o 5.405000       1.146000      357.9111      -127.4 
1 1 1 35 13 12 o 3.051000       1.117000      300.3912      -102.7 
1 1 1 35 13 13 o 2.051000       1.150000      296.5747      21.6   
1 1 1 35 13 14 o -1.129000      1.104000      112.7451      -17.5  
1 1 1 35 13 15 o 2.419000       1.164000      261.9132      -92.3  
1 1 1 35 13 16 o 1.957000       1.164000      254.6934      -83.8  
1 1 1 35 13 17 o -0.2084000     1.154000      30.72557      129.7  
1 1 1 35 13 18 o 2.857000       1.151000      204.9581      69.8   
1 1 1 35 13 19 o 2.155000       1.332000      100.9926      92.6   
1 1 1 35 13 20 o 3.291000       1.194000      222.4397      61.1   
1 1 1 35 13 21 o 2.071000       1.060000      111.5322      5.0    
1 1 1 35 13 22 o 5.558000       1.098000      343.6603      -58.8  
1 1 1 35 13 23 o 3.292000       1.097000      202.5261      139.1  
1 1 1 35 13 24 o 1.534000       1.096000      161.1860      124.3  
1 1 1 35 13 25 o 0.3513000      1.087000      37.59007      17.1   
1 1 1 35 13 26 o 4.450000       1.107000      282.6433      83.1   
1 1 1 35 13 27 o -0.3437000E-01 1.111000      86.13359      160.2  
1 1 1 35 13 28 o 0.6580000      1.115000      241.8132      -141.9 
1 1 1 35 13 29 o -0.2179000     1.133000      35.34647      -178.2 
1 1 1 35 13 30 o -0.9368000     1.142000      178.4281      -64.3  
1 1 1 35 13 31 o 1.919000       1.153000      142.6946      26.6   
1 1 1 35 13 32 o 0.5713000      1.134000      251.7409      -118.0 
1 1 1 35 13 33 o -0.1082000     1.141000      211.9667      136.8  
1 1 1 35 13 34 o 2.553000       1.279000      70.98814      117.7  
1 1 1 35 13 35 o 3.120000       1.459000      116.3757      -40.8  
1 1 1 35 13 36 o 4.003000       1.240000      ?             ?      
1 1 1 35 13 37 o 1.051000       1.145000      ?             ?      
1 1 1 35 13 38 o 1.393000       1.062000      ?             ?      
1 1 1 35 13 39 o 1.269000       1.061000      ?             ?      
1 1 1 35 13 40 o 0.8874000      1.039000      ?             ?      
1 1 1 35 13 41 o 1.156000       1.033000      ?             ?      
1 1 1 35 13 42 o 0.8233000      1.067000      ?             ?      
1 1 1 35 13 43 o 0.3770000      1.235000      ?             ?      
1 1 1 35 13 44 o -1.494000      1.300000      ?             ?      
1 1 1 35 13 45 o -0.3937000     1.172000      ?             ?      
1 1 1 35 13 46 o 1.965000       1.172000      ?             ?      
1 1 1 35 13 47 o 2.588000       1.164000      ?             ?      
1 1 1 35 13 48 o -0.1853000     1.156000      ?             ?      
1 1 1 35 13 49 o 2.986000       1.242000      ?             ?      
1 1 1 35 13 50 o 0.1490000      1.175000      ?             ?      
1 1 1 35 13 51 o 1.260000       1.112000      ?             ?      
1 1 1 35 13 52 o 0.4411000      1.107000      ?             ?      
1 1 1 35 13 53 o 0.4189000E-01  1.236000      ?             ?      
1 1 1 35 13 54 o -0.4452000     1.320000      ?             ?      
1 1 1 35 13 55 o -0.1984000     1.294000      ?             ?      
1 1 1 35 13 56 o 2.761000       1.276000      ?             ?      
1 1 1 35 13 57 o -0.4983000     1.186000      ?             ?      
1 1 1 35 13 58 o 0.8293000      1.207000      ?             ?      
1 1 1 35 14 0  o 0.8496000      1.651000      112.6188      -90.0  
1 1 1 35 14 1  o -0.7768000     1.301000      181.8828      -57.8  
1 1 1 35 14 2  o 5.530000       1.301000      354.1134      75.8   
1 1 1 35 14 3  o 0.7805000      1.262000      141.2546      139.7  
1 1 1 35 14 4  o 3.328000       1.280000      302.8071      -122.6 
1 1 1 35 14 5  o -0.2313000E-02 1.272000      124.7387      -19.0  
1 1 1 35 14 6  o 3.278000       1.264000      175.3222      138.9  
1 1 1 35 14 7  o 3.208000       1.252000      412.3609      142.8  
1 1 1 35 14 8  o 3.003000       1.201000      232.2170      18.6   
1 1 1 35 14 9  o 0.5896000E-01  1.166000      114.9646      69.7   
1 1 1 35 14 10 o 0.4360000      1.158000      100.3092      -95.4  
1 1 1 35 14 11 o -0.6478000     1.097000      68.33392      -14.6  
1 1 1 35 14 12 o -0.2799000     1.084000      11.83572      -15.9  
1 1 1 35 14 13 o -0.5140000     1.138000      58.24069      27.6   
1 1 1 35 14 14 o 0.4707000      1.290000      163.2771      102.8  
1 1 1 35 14 15 o -0.3081000     1.163000      168.0357      -136.6 
1 1 1 35 14 16 o -0.3540000     1.127000      50.32496      48.7   
1 1 1 35 14 17 o 3.689000       1.313000      193.4499      138.6  
1 1 1 35 14 18 o -0.1604000     1.149000      86.74530      -46.4  
1 1 1 35 14 19 o 3.855000       1.210000      257.2675      -156.9 
1 1 1 35 14 20 o 0.6176000      1.140000      98.44827      127.1  
1 1 1 35 14 21 o 1.420000       1.065000      143.5397      92.1   
1 1 1 35 14 22 o 2.988000       1.093000      218.7706      39.4   
1 1 1 35 14 23 o 0.8961000      1.094000      171.4941      44.5   
1 1 1 35 14 24 o 1.993000       1.099000      182.3302      -172.7 
1 1 1 35 14 25 o 3.280000       1.101000      200.1315      -149.8 
1 1 1 35 14 26 o 0.6603000      1.083000      64.57483      63.3   
1 1 1 35 14 27 o 1.046000       1.124000      163.6202      -114.8 
1 1 1 35 14 28 o 2.866000       1.145000      158.4476      36.3   
1 1 1 35 14 29 o 0.3372000      1.144000      169.4617      11.1   
1 1 1 35 14 30 o 0.6806000      1.147000      88.75443      136.0  
1 1 1 35 14 31 o 2.050000       1.152000      236.0326      -0.8   
1 1 1 35 14 32 o 4.249000       1.146000      312.5684      125.4  
1 1 1 35 14 33 o 1.838000       1.251000      70.84235      89.7   
1 1 1 35 14 34 o -1.352000      1.249000      72.35631      171.3  
1 1 1 35 14 35 o -0.7396000     1.368000      82.84346      3.2    
1 1 1 35 14 36 o 1.134000       1.207000      ?             ?      
1 1 1 35 14 37 o 0.6409000      1.062000      ?             ?      
1 1 1 35 14 38 o 1.977000       1.044000      ?             ?      
1 1 1 35 14 39 o -1.367000      1.026000      ?             ?      
1 1 1 35 14 40 o 0.7252000E-01  1.023000      ?             ?      
1 1 1 35 14 41 o -1.365000      1.020000      ?             ?      
1 1 1 35 14 42 o -0.4447000     1.033000      ?             ?      
1 1 1 35 14 43 o 0.5250000      1.242000      ?             ?      
1 1 1 35 14 44 o -0.6894000     1.268000      ?             ?      
1 1 1 35 14 45 o 0.9431000      1.111000      ?             ?      
1 1 1 35 14 46 o 1.249000       1.164000      ?             ?      
1 1 1 35 14 47 o -0.2030000     1.078000      ?             ?      
1 1 1 35 14 48 o 0.9582000      1.172000      ?             ?      
1 1 1 35 14 49 o 0.6176000E-02  1.188000      ?             ?      
1 1 1 35 14 50 o 0.9619000      1.167000      ?             ?      
1 1 1 35 14 51 o 0.4327000      1.174000      ?             ?      
1 1 1 35 14 52 o -1.952000      1.102000      ?             ?      
1 1 1 35 14 53 o 0.6438000      1.275000      ?             ?      
1 1 1 35 14 54 o 2.395000       1.303000      ?             ?      
1 1 1 35 14 55 o -1.503000      1.284000      ?             ?      
1 1 1 35 14 56 o -0.8106000E-01 1.626000      ?             ?      
1 1 1 35 14 57 o 1.333000       1.699000      ?             ?      
1 1 1 35 14 58 o 1.184000       4.092000      ?             ?      
1 1 1 35 15 0  o -0.7374000     1.727000      93.72582      90.0   
1 1 1 35 15 1  o 3.265000       1.247000      274.7396      82.3   
1 1 1 35 15 2  o 1.509000       1.207000      157.2521      -74.3  
1 1 1 35 15 3  o -0.7940000     1.311000      9.778966      31.4   
1 1 1 35 15 4  o 0.7770000      1.374000      200.3787      -175.1 
1 1 1 35 15 5  o 4.178000       1.241000      305.9641      -82.6  
1 1 1 35 15 6  o 2.715000       1.221000      202.2140      -80.3  
1 1 1 35 15 7  o 0.7626000      1.195000      96.00182      -127.4 
1 1 1 35 15 8  o 2.369000       1.164000      184.0529      175.6  
1 1 1 35 15 9  o -1.548000      1.140000      100.0071      -158.1 
1 1 1 35 15 10 o 1.055000       1.198000      119.4337      -106.9 
1 1 1 35 15 11 o 2.840000       1.223000      237.2824      -45.5  
1 1 1 35 15 12 o -0.2435000     1.134000      52.42926      51.0   
1 1 1 35 15 13 o -0.1330000     1.103000      83.77817      152.7  
1 1 1 35 15 14 o 1.188000       1.326000      92.84740      -95.8  
1 1 1 35 15 15 o 5.371000       1.330000      281.3241      -154.5 
1 1 1 35 15 16 o 2.722000       1.165000      189.1437      -23.4  
1 1 1 35 15 17 o 1.802000       1.133000      143.2520      -13.9  
1 1 1 35 15 18 o 0.6552000      1.112000      19.87764      -144.7 
1 1 1 35 15 19 o 2.059000       1.137000      146.7890      89.4   
1 1 1 35 15 20 o 2.570000       1.177000      116.0581      76.1   
1 1 1 35 15 21 o 2.055000       1.074000      74.88054      95.5   
1 1 1 35 15 22 o 0.4953000      1.088000      156.0273      167.4  
1 1 1 35 15 23 o 2.532000       1.094000      111.0193      -167.4 
1 1 1 35 15 24 o -2.025000      1.072000      76.66389      24.7   
1 1 1 35 15 25 o 1.582000       1.065000      34.23202      -72.9  
1 1 1 35 15 26 o -0.8234000     1.104000      102.5553      19.6   
1 1 1 35 15 27 o 3.687000       1.126000      253.2999      -137.2 
1 1 1 35 15 28 o -0.3832000     1.131000      24.09131      -0.8   
1 1 1 35 15 29 o 1.699000       1.159000      169.0024      10.9   
1 1 1 35 15 30 o -1.305000      1.142000      56.92563      72.7   
1 1 1 35 15 31 o 2.743000       1.152000      319.2752      -116.3 
1 1 1 35 15 32 o 1.798000       1.154000      137.2927      161.5  
1 1 1 35 15 33 o 0.3063000E-01  1.223000      105.7648      -171.7 
1 1 1 35 15 34 o 0.1337000      1.342000      115.8625      44.1   
1 1 1 35 15 35 o 2.236000       1.210000      ?             ?      
1 1 1 35 15 36 o 1.081000       1.140000      ?             ?      
1 1 1 35 15 37 o 1.021000       1.056000      ?             ?      
1 1 1 35 15 38 o 0.5001000      1.031000      ?             ?      
1 1 1 35 15 39 o 0.2336000      1.019000      ?             ?      
1 1 1 35 15 40 o 0.4059000      1.017000      ?             ?      
1 1 1 35 15 41 o 0.8102000      1.020000      ?             ?      
1 1 1 35 15 42 o -0.1772000E-01 1.015000      ?             ?      
1 1 1 35 15 43 o 0.4834000      1.244000      ?             ?      
1 1 1 35 15 44 o -2.703000      1.262000      ?             ?      
1 1 1 35 15 45 o 0.1965000      1.336000      ?             ?      
1 1 1 35 15 46 o 1.099000       1.102000      ?             ?      
1 1 1 35 15 47 o 0.5925000      1.078000      ?             ?      
1 1 1 35 15 48 o -0.3346000E-01 1.173000      ?             ?      
1 1 1 35 15 49 o 0.2321000      1.167000      ?             ?      
1 1 1 35 15 50 o -0.2493000     1.243000      ?             ?      
1 1 1 35 15 51 o 0.2669000      1.160000      ?             ?      
1 1 1 35 15 52 o -0.1090000     1.214000      ?             ?      
1 1 1 35 15 53 o -0.6433000     1.285000      ?             ?      
1 1 1 35 15 54 o 1.773000       1.285000      ?             ?      
1 1 1 35 15 55 o -0.6055000     1.252000      ?             ?      
1 1 1 35 15 56 o 0.9231000      1.178000      ?             ?      
1 1 1 35 15 57 o -0.3650000     1.196000      ?             ?      
1 1 1 35 16 0  o -2.101000      1.548000      57.15919      90.0   
1 1 1 35 16 1  o 0.9295000      1.227000      105.6724      112.6  
1 1 1 35 16 2  o 1.006000       1.242000      191.5235      95.0   
1 1 1 35 16 3  o -1.340000      1.246000      33.96764      -104.7 
1 1 1 35 16 4  o -0.7470000     1.261000      197.6344      -50.0  
1 1 1 35 16 5  o 1.103000       1.157000      187.6110      -11.5  
1 1 1 35 16 6  o -0.6144000E-01 1.182000      144.5591      84.0   
1 1 1 35 16 7  o 2.873000       1.199000      141.5293      90.3   
1 1 1 35 16 8  o 0.3101000      1.204000      135.8259      16.7   
1 1 1 35 16 9  o 0.1621000      1.206000      104.3907      -129.2 
1 1 1 35 16 10 o 0.2781000      1.207000      115.4044      27.5   
1 1 1 35 16 11 o 0.2614000      1.176000      116.8484      22.9   
1 1 1 35 16 12 o -1.072000      1.282000      76.30471      -104.5 
1 1 1 35 16 13 o 0.1773000      1.185000      83.27450      -135.3 
1 1 1 35 16 14 o -0.4234000     1.170000      107.8790      -110.9 
1 1 1 35 16 15 o -3.165000      1.198000      79.64671      61.2   
1 1 1 35 16 16 o -0.1644000     1.137000      164.2817      47.8   
1 1 1 35 16 17 o 0.7001000      1.127000      153.0649      141.9  
1 1 1 35 16 18 o -3.332000      1.137000      75.10169      -73.7  
1 1 1 35 16 19 o -0.1675000     1.129000      155.1554      -166.0 
1 1 1 35 16 20 o -1.053000      1.145000      133.8409      -172.3 
1 1 1 35 16 21 o 0.5982000      1.194000      113.1841      -97.0  
1 1 1 35 16 22 o 2.650000       1.095000      180.0316      -10.8  
1 1 1 35 16 23 o 1.497000       1.090000      101.2101      -158.5 
1 1 1 35 16 24 o -0.3744000     1.071000      65.94912      -27.5  
1 1 1 35 16 25 o 0.7137000      1.062000      53.69668      66.1   
1 1 1 35 16 26 o -0.1339000     1.101000      87.43774      -60.3  
1 1 1 35 16 27 o 2.277000       1.116000      100.6809      176.8  
1 1 1 35 16 28 o 0.3167000      1.137000      114.2711      54.2   
1 1 1 35 16 29 o 1.678000       1.152000      105.9994      51.5   
1 1 1 35 16 30 o 1.412000       1.133000      188.1425      -45.3  
1 1 1 35 16 31 o 1.098000       1.133000      223.9923      -37.7  
1 1 1 35 16 32 o 0.5810000      1.240000      174.7304      82.3   
1 1 1 35 16 33 o -1.982000      1.227000      75.05335      129.3  
1 1 1 35 16 34 o -0.5158000     1.325000      21.45385      -78.3  
1 1 1 35 16 35 o 0.4432000      1.188000      ?             ?      
1 1 1 35 16 36 o 0.3953000      1.075000      ?             ?      
1 1 1 35 16 37 o 0.1187000      1.051000      ?             ?      
1 1 1 35 16 38 o 1.029000       1.035000      ?             ?      
1 1 1 35 16 39 o 1.423000       1.022000      ?             ?      
1 1 1 35 16 40 o 0.6552000      1.010000      ?             ?      
1 1 1 35 16 41 o 1.691000       1.011000      ?             ?      
1 1 1 35 16 42 o -0.2182000     0.9960000     ?             ?      
1 1 1 35 16 43 o 1.039000       1.253000      ?             ?      
1 1 1 35 16 44 o 0.2555000      1.252000      ?             ?      
1 1 1 35 16 45 o 0.8880000      1.320000      ?             ?      
1 1 1 35 16 46 o 0.1413000      1.100000      ?             ?      
1 1 1 35 16 47 o -0.6928000E-01 1.112000      ?             ?      
1 1 1 35 16 48 o 1.215000       1.099000      ?             ?      
1 1 1 35 16 49 o 0.1438000      1.171000      ?             ?      
1 1 1 35 16 50 o -0.4142000E-01 1.162000      ?             ?      
1 1 1 35 16 51 o -1.052000      1.159000      ?             ?      
1 1 1 35 16 52 o -0.5850000     1.349000      ?             ?      
1 1 1 35 16 53 o -0.6002000     1.337000      ?             ?      
1 1 1 35 16 54 o 0.8058000E-03  1.255000      ?             ?      
1 1 1 35 16 55 o -0.4527000     1.157000      ?             ?      
1 1 1 35 16 56 o -0.7436000     1.173000      ?             ?      
1 1 1 35 16 57 o 2.130000       1.199000      ?             ?      
1 1 1 35 17 0  o -2.685000      1.479000      8.369944      -90.0  
1 1 1 35 17 1  o -0.6815000     1.040000      82.06846      96.4   
1 1 1 35 17 2  o -0.4087000     1.103000      43.86334      -103.5 
1 1 1 35 17 3  o 0.4680000      1.133000      55.02016      104.1  
1 1 1 35 17 4  o -0.5483000     1.131000      54.13792      115.9  
1 1 1 35 17 5  o 0.5765000      1.282000      96.38448      2.7    
1 1 1 35 17 6  o 0.4866000      1.352000      175.4133      -147.8 
1 1 1 35 17 7  o 1.350000       1.183000      143.8030      -165.7 
1 1 1 35 17 8  o -1.017000      1.237000      52.82912      131.0  
1 1 1 35 17 9  o -1.517000      1.253000      84.01541      -101.4 
1 1 1 35 17 10 o -2.312000      1.204000      71.56785      -18.0  
1 1 1 35 17 11 o -0.3805000E-01 1.129000      130.9503      22.9   
1 1 1 35 17 12 o 1.047000       1.203000      138.4273      153.8  
1 1 1 35 17 13 o -1.047000      1.313000      60.16371      16.7   
1 1 1 35 17 14 o 0.5467000      1.177000      101.8014      -124.8 
1 1 1 35 17 15 o 1.416000       1.179000      154.8960      143.7  
1 1 1 35 17 16 o -1.649000      1.158000      62.38102      -58.3  
1 1 1 35 17 17 o -1.034000      1.116000      130.9369      119.3  
1 1 1 35 17 18 o 2.727000       1.131000      157.2776      -88.8  
1 1 1 35 17 19 o 3.385000       1.154000      180.5273      74.0   
1 1 1 35 17 20 o 2.598000       1.129000      61.17206      41.1   
1 1 1 35 17 21 o 1.382000       1.148000      86.31193      -31.7  
1 1 1 35 17 22 o -0.8726000     1.207000      111.7038      -144.3 
1 1 1 35 17 23 o -0.1788000E-01 1.072000      46.94036      48.0   
1 1 1 35 17 24 o 0.7180000      1.069000      53.50518      45.5   
1 1 1 35 17 25 o 1.916000       1.080000      128.3817      -2.3   
1 1 1 35 17 26 o 0.7808000      1.109000      27.55289      -39.1  
1 1 1 35 17 27 o 1.402000       1.123000      56.17496      -96.8  
1 1 1 35 17 28 o -0.5288000     1.124000      108.7312      74.3   
1 1 1 35 17 29 o 0.7235000      1.127000      119.2074      -27.4  
1 1 1 35 17 30 o -0.1060000     1.124000      121.4705      93.6   
1 1 1 35 17 31 o -0.7580000     1.143000      53.62804      -148.9 
1 1 1 35 17 32 o 0.8910000      1.244000      137.7704      73.4   
1 1 1 35 17 33 o 2.576000       1.484000      94.45985      179.7  
1 1 1 35 17 34 o -0.3378000     1.180000      ?             ?      
1 1 1 35 17 35 o 0.5128000      1.113000      ?             ?      
1 1 1 35 17 36 o 0.6243000      1.057000      ?             ?      
1 1 1 35 17 37 o 1.244000       1.041000      ?             ?      
1 1 1 35 17 38 o -0.7055000E-01 1.038000      ?             ?      
1 1 1 35 17 39 o -0.7248000     1.024000      ?             ?      
1 1 1 35 17 40 o -0.7592000     1.000000      ?             ?      
1 1 1 35 17 41 o 1.881000       1.002000      ?             ?      
1 1 1 35 17 42 o 0.4201000      0.9932000     ?             ?      
1 1 1 35 17 43 o -0.2060000     1.017000      ?             ?      
1 1 1 35 17 44 o -0.3617000     1.260000      ?             ?      
1 1 1 35 17 45 o -0.4551000     1.322000      ?             ?      
1 1 1 35 17 46 o 0.3465000      1.096000      ?             ?      
1 1 1 35 17 47 o 0.8319000E-01  1.092000      ?             ?      
1 1 1 35 17 48 o 0.8064000      1.045000      ?             ?      
1 1 1 35 17 49 o -1.765000      1.166000      ?             ?      
1 1 1 35 17 50 o -0.3068000     1.154000      ?             ?      
1 1 1 35 17 51 o 3.208000       1.440000      ?             ?      
1 1 1 35 17 52 o -0.1370000     1.352000      ?             ?      
1 1 1 35 17 53 o -0.1359000     1.226000      ?             ?      
1 1 1 35 17 54 o -0.1986000     1.241000      ?             ?      
1 1 1 35 17 55 o -0.8084000     1.146000      ?             ?      
1 1 1 35 17 56 o 0.2246000      1.174000      ?             ?      
1 1 1 35 17 57 o 0.1662000      4.111000      ?             ?      
1 1 1 35 18 0  o -0.5552000     1.511000      1.111996      -90.0  
1 1 1 35 18 1  o 0.4324000      1.028000      38.13762      -97.8  
1 1 1 35 18 2  o 1.429000       1.242000      94.49843      62.2   
1 1 1 35 18 3  o -1.152000      1.152000      165.8635      -150.0 
1 1 1 35 18 4  o -0.6203000E-01 1.221000      97.27790      -13.6  
1 1 1 35 18 5  o -1.070000      1.112000      64.33163      32.2   
1 1 1 35 18 6  o -0.1742000     1.158000      40.42448      145.9  
1 1 1 35 18 7  o 0.3896000      1.221000      187.2461      22.0   
1 1 1 35 18 8  o -0.1057000     1.243000      12.27249      20.0   
1 1 1 35 18 9  o 1.225000       1.268000      90.99942      31.0   
1 1 1 35 18 10 o -0.5722000E-01 1.120000      107.9173      68.2   
1 1 1 35 18 11 o -1.356000      1.189000      39.87563      142.9  
1 1 1 35 18 12 o 2.105000       1.229000      91.82050      -173.9 
1 1 1 35 18 13 o 0.2562000      1.165000      144.0685      -86.0  
1 1 1 35 18 14 o 0.5870000      1.212000      21.68024      97.7   
1 1 1 35 18 15 o -0.3759000     1.188000      72.06316      47.4   
1 1 1 35 18 16 o -0.7586000     1.167000      85.40262      -97.3  
1 1 1 35 18 17 o 0.9687000E-01  1.133000      53.62420      -70.7  
1 1 1 35 18 18 o 0.3670000      1.144000      55.48632      -49.5  
1 1 1 35 18 19 o -0.9465000     1.134000      52.06149      15.2   
1 1 1 35 18 20 o -1.157000      1.145000      96.10997      -144.9 
1 1 1 35 18 21 o -1.319000      1.146000      76.19720      -47.0  
1 1 1 35 18 22 o 1.002000       1.159000      91.79207      112.8  
1 1 1 35 18 23 o -0.6436000     1.080000      58.68479      -51.6  
1 1 1 35 18 24 o 0.3497000E-02  1.074000      107.5843      -0.3   
1 1 1 35 18 25 o -0.3690000     1.126000      79.06483      -34.5  
1 1 1 35 18 26 o -0.6298000     1.119000      95.98701      73.5   
1 1 1 35 18 27 o 1.986000       1.131000      136.3417      157.0  
1 1 1 35 18 28 o -0.2361000     1.126000      111.7026      18.6   
1 1 1 35 18 29 o 0.1636000      1.121000      37.35393      165.6  
1 1 1 35 18 30 o -0.8929000     1.103000      65.75255      -12.7  
1 1 1 35 18 31 o -0.8809000     1.138000      56.44508      -164.7 
1 1 1 35 18 32 o 1.487000       1.347000      75.37256      96.2   
1 1 1 35 18 33 o 0.2356000      1.330000      ?             ?      
1 1 1 35 18 34 o 1.546000       1.166000      ?             ?      
1 1 1 35 18 35 o 1.187000       1.061000      ?             ?      
1 1 1 35 18 36 o 0.2075000      1.035000      ?             ?      
1 1 1 35 18 37 o 1.201000       1.042000      ?             ?      
1 1 1 35 18 38 o 0.3942000E-01  1.032000      ?             ?      
1 1 1 35 18 39 o -1.499000      1.018000      ?             ?      
1 1 1 35 18 40 o -0.7553000E-01 1.011000      ?             ?      
1 1 1 35 18 41 o 1.060000       0.9885000     ?             ?      
1 1 1 35 18 42 o -1.228000      0.9820000     ?             ?      
1 1 1 35 18 43 o -1.367000      0.9929000     ?             ?      
1 1 1 35 18 44 o 0.1369000      1.248000      ?             ?      
1 1 1 35 18 45 o 0.9454000      1.275000      ?             ?      
1 1 1 35 18 46 o 1.067000       1.113000      ?             ?      
1 1 1 35 18 47 o 0.3419000      1.094000      ?             ?      
1 1 1 35 18 48 o 1.339000       1.037000      ?             ?      
1 1 1 35 18 49 o -0.3423000     1.044000      ?             ?      
1 1 1 35 18 50 o 0.6566000E-01  1.157000      ?             ?      
1 1 1 35 18 51 o 2.007000       1.414000      ?             ?      
1 1 1 35 18 52 o -0.7027000     1.454000      ?             ?      
1 1 1 35 18 53 o 0.2655000      1.316000      ?             ?      
1 1 1 35 18 54 o -0.3569000     1.126000      ?             ?      
1 1 1 35 18 55 o -0.7786000     1.147000      ?             ?      
1 1 1 35 18 56 o 0.9842000      1.627000      ?             ?      
1 1 1 35 19 0  o -1.623000      1.641000      40.79417      90.0   
1 1 1 35 19 1  o 0.9889000      1.199000      95.98957      -135.2 
1 1 1 35 19 2  o -0.2025000     1.398000      51.32785      37.4   
1 1 1 35 19 3  o 0.3043000E-01  1.154000      65.11896      -45.0  
1 1 1 35 19 4  o 1.061000       1.174000      86.51707      -41.6  
1 1 1 35 19 5  o 0.3543000      1.093000      95.66335      167.3  
1 1 1 35 19 6  o 1.032000       1.091000      120.7843      -174.7 
1 1 1 35 19 7  o -1.534000      1.094000      62.20584      177.4  
1 1 1 35 19 8  o 0.3030000      1.108000      74.78584      83.6   
1 1 1 35 19 9  o -0.2745000     1.115000      65.49065      -109.2 
1 1 1 35 19 10 o -0.7139000     1.281000      120.7390      -162.1 
1 1 1 35 19 11 o 0.8186000      1.296000      28.35384      48.6   
1 1 1 35 19 12 o -1.060000      1.154000      40.10616      69.4   
1 1 1 35 19 13 o -0.2385000     1.185000      68.36987      -21.3  
1 1 1 35 19 14 o -1.809000      1.223000      101.8555      64.9   
1 1 1 35 19 15 o 1.524000       1.325000      94.71540      103.3  
1 1 1 35 19 16 o 0.6985000      1.198000      67.19253      80.2   
1 1 1 35 19 17 o -0.2266000     1.200000      104.7478      103.6  
1 1 1 35 19 18 o 0.7890000      1.175000      62.60230      -62.6  
1 1 1 35 19 19 o 1.034000       1.179000      130.5468      76.4   
1 1 1 35 19 20 o -1.542000      1.167000      90.41035      -46.1  
1 1 1 35 19 21 o 0.2146000      1.161000      84.63634      -71.0  
1 1 1 35 19 22 o 2.733000       1.160000      29.53549      -16.6  
1 1 1 35 19 23 o 0.3089000E-01  1.207000      89.61754      114.8  
1 1 1 35 19 24 o 0.3167000      1.094000      92.84125      42.9   
1 1 1 35 19 25 o 1.357000       1.120000      60.25339      -25.5  
1 1 1 35 19 26 o -0.5316000     1.127000      11.06611      -138.9 
1 1 1 35 19 27 o 0.7163000      1.133000      70.96275      170.4  
1 1 1 35 19 28 o 1.238000       1.121000      29.20351      -110.4 
1 1 1 35 19 29 o 1.389000       1.116000      14.80770      2.3    
1 1 1 35 19 30 o -0.8095000     1.133000      69.23095      120.2  
1 1 1 35 19 31 o -0.6315000E-02 1.228000      23.35842      47.8   
1 1 1 35 19 32 o -0.3352000     1.292000      49.80756      83.2   
1 1 1 35 19 33 o -1.097000      1.169000      ?             ?      
1 1 1 35 19 34 o -0.9324000     1.092000      ?             ?      
1 1 1 35 19 35 o -0.1175000     1.039000      ?             ?      
1 1 1 35 19 36 o -0.4403000     1.032000      ?             ?      
1 1 1 35 19 37 o -1.885000      1.018000      ?             ?      
1 1 1 35 19 38 o -1.032000      1.012000      ?             ?      
1 1 1 35 19 39 o 0.3629000      1.008000      ?             ?      
1 1 1 35 19 40 o 0.9056000      1.000000      ?             ?      
1 1 1 35 19 41 o 0.1233000      0.9947000     ?             ?      
1 1 1 35 19 42 o 0.7011000      0.9817000     ?             ?      
1 1 1 35 19 43 o 0.1489000      0.9873000     ?             ?      
1 1 1 35 19 44 o 0.6151000      1.243000      ?             ?      
1 1 1 35 19 45 o -0.1102000     1.261000      ?             ?      
1 1 1 35 19 46 o 0.1537000      1.318000      ?             ?      
1 1 1 35 19 47 o -0.5187000     1.089000      ?             ?      
1 1 1 35 19 48 o -1.079000      1.041000      ?             ?      
1 1 1 35 19 49 o 1.248000       1.036000      ?             ?      
1 1 1 35 19 50 o 0.1746000      1.109000      ?             ?      
1 1 1 35 19 51 o -1.868000      1.403000      ?             ?      
1 1 1 35 19 52 o -2.303000      1.420000      ?             ?      
1 1 1 35 19 53 o 2.189000       1.313000      ?             ?      
1 1 1 35 19 54 o -0.8583000     1.119000      ?             ?      
1 1 1 35 19 55 o 1.336000       1.154000      ?             ?      
1 1 1 35 19 56 o -2.188000      1.457000      ?             ?      
1 1 1 35 20 0  o -1.137000      1.416000      87.21219      -90.0  
1 1 1 35 20 1  o 0.2786000      1.235000      97.14975      142.8  
1 1 1 35 20 2  o 1.409000       1.759000      50.39768      8.4    
1 1 1 35 20 3  o 0.8504000      1.319000      18.44097      -136.4 
1 1 1 35 20 4  o -1.741000      1.119000      47.58328      162.1  
1 1 1 35 20 5  o -0.6222000     1.098000      48.94654      147.7  
1 1 1 35 20 6  o -0.6455000     1.091000      56.04129      -16.9  
1 1 1 35 20 7  o 1.714000       1.107000      66.17635      -5.3   
1 1 1 35 20 8  o -1.510000      1.110000      25.29681      -53.6  
1 1 1 35 20 9  o 0.9799000      1.114000      70.00594      -90.2  
1 1 1 35 20 10 o -0.6700000     1.117000      59.80886      -73.3  
1 1 1 35 20 11 o -1.257000      1.129000      51.13477      -151.3 
1 1 1 35 20 12 o -0.3049000     1.156000      17.57109      -143.6 
1 1 1 35 20 13 o 1.455000       1.308000      38.80658      -46.9  
1 1 1 35 20 14 o -1.876000      1.327000      36.64982      148.5  
1 1 1 35 20 15 o 0.7764000      1.194000      90.62464      161.2  
1 1 1 35 20 16 o 0.5958000      1.235000      98.00279      -66.6  
1 1 1 35 20 17 o -0.1692000E-01 1.329000      38.19989      62.2   
1 1 1 35 20 18 o -0.1567000     1.316000      75.35842      107.5  
1 1 1 35 20 19 o 0.1437000      1.205000      70.10404      47.7   
1 1 1 35 20 20 o -0.5513000     1.180000      61.52753      -70.0  
1 1 1 35 20 21 o -2.373000      1.178000      57.14337      104.5  
1 1 1 35 20 22 o 0.8955000      1.190000      73.72619      -175.1 
1 1 1 35 20 23 o 1.798000       1.212000      65.71789      -34.7  
1 1 1 35 20 24 o -0.4150000     1.244000      90.00878      -32.0  
1 1 1 35 20 25 o 1.473000       1.137000      54.79266      52.2   
1 1 1 35 20 26 o -0.5719000     1.112000      90.90006      120.5  
1 1 1 35 20 27 o -1.227000      1.118000      24.08307      129.4  
1 1 1 35 20 28 o -1.107000      1.112000      57.66169      -14.7  
1 1 1 35 20 29 o -2.431000      1.130000      82.91174      -151.2 
1 1 1 35 20 30 o -0.2642000     1.131000      19.99498      103.7  
1 1 1 35 20 31 o 0.1967000      1.328000      53.50126      -155.1 
1 1 1 35 20 32 o 1.081000       1.321000      ?             ?      
1 1 1 35 20 33 o 0.1721000E-01  1.100000      ?             ?      
1 1 1 35 20 34 o 1.265000       1.078000      ?             ?      
1 1 1 35 20 35 o -0.5364000     1.031000      ?             ?      
1 1 1 35 20 36 o -0.2167000     1.019000      ?             ?      
1 1 1 35 20 37 o 0.1927000      1.016000      ?             ?      
1 1 1 35 20 38 o -0.6616000     0.9971000     ?             ?      
1 1 1 35 20 39 o -0.9085000     0.9966000     ?             ?      
1 1 1 35 20 40 o -0.7110000     0.9902000     ?             ?      
1 1 1 35 20 41 o 1.881000       0.9936000     ?             ?      
1 1 1 35 20 42 o -0.7399000E-01 0.9935000     ?             ?      
1 1 1 35 20 43 o -0.5023000     0.9907000     ?             ?      
1 1 1 35 20 44 o 0.3727000      1.019000      ?             ?      
1 1 1 35 20 45 o -0.7335000     1.253000      ?             ?      
1 1 1 35 20 46 o 0.8870000      1.312000      ?             ?      
1 1 1 35 20 47 o -0.2166000     1.094000      ?             ?      
1 1 1 35 20 48 o 0.5338000      1.090000      ?             ?      
1 1 1 35 20 49 o -0.8369000     1.019000      ?             ?      
1 1 1 35 20 50 o 0.9401000E-01  1.174000      ?             ?      
1 1 1 35 20 51 o 0.3095000      1.467000      ?             ?      
1 1 1 35 20 52 o -0.3525000     1.339000      ?             ?      
1 1 1 35 20 53 o -3.096000      1.174000      ?             ?      
1 1 1 35 20 54 o 2.158000       1.207000      ?             ?      
1 1 1 35 20 55 o -1.563000      1.154000      ?             ?      
1 1 1 35 21 0  o -0.2129000     1.407000      54.58537      90.0   
1 1 1 35 21 1  o -2.675000      1.119000      18.66918      139.3  
1 1 1 35 21 2  o -0.5032000     1.136000      17.47619      37.4   
1 1 1 35 21 3  o 0.1392000      1.111000      57.28277      -69.3  
1 1 1 35 21 4  o -0.6630000     1.504000      23.72449      74.4   
1 1 1 35 21 5  o 0.3550000      1.590000      27.56030      101.1  
1 1 1 35 21 6  o -1.516000      1.229000      27.06496      61.1   
1 1 1 35 21 7  o -1.257000      1.118000      41.18793      3.0    
1 1 1 35 21 8  o -0.6271000     1.127000      35.06329      61.6   
1 1 1 35 21 9  o 0.6553000      1.142000      34.34041      9.4    
1 1 1 35 21 10 o 0.7677000E-01  1.135000      29.33257      90.7   
1 1 1 35 21 11 o -0.4068000     1.128000      55.80486      61.5   
1 1 1 35 21 12 o -0.5039000     1.127000      25.45435      -32.4  
1 1 1 35 21 13 o 0.4305000      1.136000      16.92657      76.1   
1 1 1 35 21 14 o -2.512000      1.148000      15.60488      129.8  
1 1 1 35 21 15 o -0.3458000     1.171000      40.64030      34.3   
1 1 1 35 21 16 o -1.414000      1.357000      41.38675      -154.1 
1 1 1 35 21 17 o -0.5705000     1.401000      17.23617      -177.7 
1 1 1 35 21 18 o 0.8873000      1.256000      16.10624      174.9  
1 1 1 35 21 19 o -0.6438000     1.272000      48.11110      98.8   
1 1 1 35 21 20 o -0.1070000     1.269000      17.57163      159.3  
1 1 1 35 21 21 o -1.685000      1.206000      35.93763      -30.0  
1 1 1 35 21 22 o 1.061000       1.213000      56.47979      104.6  
1 1 1 35 21 23 o -1.122000      1.214000      35.80585      86.2   
1 1 1 35 21 24 o -1.427000      1.282000      45.66647      92.3   
1 1 1 35 21 25 o -2.430000      1.291000      69.86604      -62.3  
1 1 1 35 21 26 o 0.3435000      1.111000      36.15194      -165.8 
1 1 1 35 21 27 o 1.047000       1.096000      33.55573      -117.6 
1 1 1 35 21 28 o 1.791000       1.105000      63.80415      -120.7 
1 1 1 35 21 29 o -0.9911000     1.126000      56.48625      -6.2   
1 1 1 35 21 30 o -0.7438000     1.327000      40.15882      -27.8  
1 1 1 35 21 31 o 1.812000       1.301000      ?             ?      
1 1 1 35 21 32 o -1.035000      1.285000      ?             ?      
1 1 1 35 21 33 o -1.248000      1.069000      ?             ?      
1 1 1 35 21 34 o -0.8830000     1.018000      ?             ?      
1 1 1 35 21 35 o -0.9316000E-01 1.016000      ?             ?      
1 1 1 35 21 36 o -1.154000      1.005000      ?             ?      
1 1 1 35 21 37 o -0.3167000     0.9981000     ?             ?      
1 1 1 35 21 38 o 1.394000       1.005000      ?             ?      
1 1 1 35 21 39 o 0.9692000      0.9861000     ?             ?      
1 1 1 35 21 40 o -0.6003000     0.9914000     ?             ?      
1 1 1 35 21 41 o 0.7628000      0.9872000     ?             ?      
1 1 1 35 21 42 o -0.4300000     0.9944000     ?             ?      
1 1 1 35 21 43 o -0.4429000     1.002000      ?             ?      
1 1 1 35 21 44 o -1.192000      0.9910000     ?             ?      
1 1 1 35 21 45 o 0.5318000      1.231000      ?             ?      
1 1 1 35 21 46 o -0.8232000     1.234000      ?             ?      
1 1 1 35 21 47 o -1.457000      1.086000      ?             ?      
1 1 1 35 21 48 o -1.790000      1.088000      ?             ?      
1 1 1 35 21 49 o -0.9657000     1.064000      ?             ?      
1 1 1 35 21 50 o -0.3665000     1.159000      ?             ?      
1 1 1 35 21 51 o -1.022000      1.236000      ?             ?      
1 1 1 35 21 52 o 0.1315000      1.252000      ?             ?      
1 1 1 35 21 53 o -0.2339000     1.260000      ?             ?      
1 1 1 35 21 54 o 0.6851000      1.195000      ?             ?      
1 1 1 35 21 55 o 0.5338000      1.494000      ?             ?      
1 1 1 35 22 0  o -0.9197000     1.381000      33.74839      -90.0  
1 1 1 35 22 1  o -1.377000      1.129000      20.82831      -152.8 
1 1 1 35 22 2  o -1.971000      1.088000      33.76559      49.4   
1 1 1 35 22 3  o -1.655000      1.083000      12.52461      -123.7 
1 1 1 35 22 4  o -0.9346000     1.245000      75.87482      61.0   
1 1 1 35 22 5  o 1.139000       1.171000      38.20842      -150.3 
1 1 1 35 22 6  o -1.325000      1.125000      31.81898      92.5   
1 1 1 35 22 7  o -1.416000      1.317000      52.02785      133.3  
1 1 1 35 22 8  o 0.5834000      1.557000      71.88188      19.0   
1 1 1 35 22 9  o -1.050000      1.278000      59.47570      -144.0 
1 1 1 35 22 10 o -2.573000      1.155000      33.20348      116.2  
1 1 1 35 22 11 f -1.331000      1.169000      18.82709      -171.9 
1 1 1 35 22 12 o 1.208000       1.170000      19.88019      105.1  
1 1 1 35 22 13 o -1.069000      1.157000      29.59933      46.3   
1 1 1 35 22 14 o -0.6914000     1.155000      37.18940      62.6   
1 1 1 35 22 15 o -1.289000      1.157000      29.18639      165.0  
1 1 1 35 22 16 o -0.9135000     1.172000      0.3247097     -46.5  
1 1 1 35 22 17 o 0.4074000      1.177000      47.31793      -161.0 
1 1 1 35 22 18 o -0.3680000     1.240000      36.94204      105.2  
1 1 1 35 22 19 o -0.2203000     1.415000      27.42305      77.2   
1 1 1 35 22 20 o 2.550000       1.405000      35.47202      -163.5 
1 1 1 35 22 21 o -0.1128000     1.226000      39.99540      -160.9 
1 1 1 35 22 22 o 0.5263000      1.287000      29.73811      -106.8 
1 1 1 35 22 23 o 0.1442000E-01  1.269000      31.74320      175.3  
1 1 1 35 22 24 o -1.052000      1.291000      56.68576      79.7   
1 1 1 35 22 25 o 0.1118000E-01  1.224000      15.13083      172.4  
1 1 1 35 22 26 o 0.4383000      1.258000      24.02071      106.7  
1 1 1 35 22 27 o -1.262000      1.094000      44.07524      -110.8 
1 1 1 35 22 28 o 0.9182000      1.136000      29.79946      -38.1  
1 1 1 35 22 29 o 0.2987000      1.136000      35.25047      -151.8 
1 1 1 35 22 30 o -1.392000      1.290000      ?             ?      
1 1 1 35 22 31 o 1.126000       1.290000      ?             ?      
1 1 1 35 22 32 o -1.009000      1.083000      ?             ?      
1 1 1 35 22 33 o -0.3664000     1.060000      ?             ?      
1 1 1 35 22 34 o -1.256000      1.004000      ?             ?      
1 1 1 35 22 35 o 0.4864000      1.007000      ?             ?      
1 1 1 35 22 36 o 1.848000       1.003000      ?             ?      
1 1 1 35 22 37 o 1.316000       0.9939000     ?             ?      
1 1 1 35 22 38 o 1.074000       0.9925000     ?             ?      
1 1 1 35 22 39 o 0.1515000      0.9891000     ?             ?      
1 1 1 35 22 40 o -0.5411000     0.9824000     ?             ?      
1 1 1 35 22 41 o 1.002000       0.9862000     ?             ?      
1 1 1 35 22 42 o -0.6841000     0.9849000     ?             ?      
1 1 1 35 22 43 o 0.5761000      0.9845000     ?             ?      
1 1 1 35 22 44 o -0.5671000E-01 0.9970000     ?             ?      
1 1 1 35 22 45 o -0.2816000     1.219000      ?             ?      
1 1 1 35 22 46 o -2.235000      1.215000      ?             ?      
1 1 1 35 22 47 o -1.684000      1.291000      ?             ?      
1 1 1 35 22 48 o -0.5793000     1.077000      ?             ?      
1 1 1 35 22 49 o -1.242000      1.154000      ?             ?      
1 1 1 35 22 50 o 1.297000       1.282000      ?             ?      
1 1 1 35 22 51 o 0.7547000      1.147000      ?             ?      
1 1 1 35 22 52 o -0.3761000     1.131000      ?             ?      
1 1 1 35 22 53 o -0.8091000     1.155000      ?             ?      
1 1 1 35 22 54 f -1.294000      1.200000      ?             ?      
1 1 1 35 23 0  o -1.334000      1.363000      68.42546      90.0   
1 1 1 35 23 1  o 0.2574000      1.082000      61.58382      153.8  
1 1 1 35 23 2  o -2.127000      1.085000      11.51693      143.8  
1 1 1 35 23 3  o -0.5000000     1.090000      57.05486      156.4  
1 1 1 35 23 4  o -1.304000      1.111000      52.63476      -144.6 
1 1 1 35 23 5  o -0.8802000     1.219000      96.94588      83.1   
1 1 1 35 23 6  o -1.250000      1.143000      76.11415      3.8    
1 1 1 35 23 7  o 0.9338000      1.180000      56.34579      115.4  
1 1 1 35 23 8  o -1.265000      1.185000      35.26884      -7.6   
1 1 1 35 23 9  o 2.076000       1.344000      24.78931      47.7   
1 1 1 35 23 10 o 0.6839000      1.391000      87.30008      -143.6 
1 1 1 35 23 11 o -2.015000      1.303000      63.49944      -168.6 
1 1 1 35 23 12 o -1.898000      1.276000      41.43258      -76.8  
1 1 1 35 23 13 o 0.4985000      1.183000      32.18365      161.6  
1 1 1 35 23 14 o -0.5255000     1.205000      31.42337      -128.4 
1 1 1 35 23 15 o -1.552000      1.184000      50.24659      162.5  
1 1 1 35 23 16 o -0.3211000     1.182000      56.64990      -88.4  
1 1 1 35 23 17 o 0.5850000      1.189000      71.70502      -167.2 
1 1 1 35 23 18 o 0.5923000      1.191000      49.15691      58.9   
1 1 1 35 23 19 o 1.268000       1.237000      23.61026      96.3   
1 1 1 35 23 20 o -1.080000      1.262000      32.49601      21.5   
1 1 1 35 23 21 o 0.4045000      1.242000      14.03274      -176.3 
1 1 1 35 23 22 o 0.1751000      1.372000      28.43247      179.9  
1 1 1 35 23 23 o -1.558000      1.346000      49.19980      -110.2 
1 1 1 35 23 24 o 0.2131000E-01  1.260000      25.95665      -67.7  
1 1 1 35 23 25 o 0.5706000      1.291000      69.52641      -56.1  
1 1 1 35 23 26 o 0.3639000      1.267000      24.11949      -173.7 
1 1 1 35 23 27 o -2.929000      1.346000      32.04493      -61.6  
1 1 1 35 23 28 o -0.3797000E-01 1.114000      49.42752      -40.5  
1 1 1 35 23 29 f -1.475000      1.293000      ?             ?      
1 1 1 35 23 30 o 0.8682000      1.276000      ?             ?      
1 1 1 35 23 31 o -2.935000      1.283000      ?             ?      
1 1 1 35 23 32 o 0.3943000      1.080000      ?             ?      
1 1 1 35 23 33 o -0.6481000     1.016000      ?             ?      
1 1 1 35 23 34 o -0.4662000     1.003000      ?             ?      
1 1 1 35 23 35 o 1.318000       0.9947000     ?             ?      
1 1 1 35 23 36 o 0.8253000      0.9860000     ?             ?      
1 1 1 35 23 37 o -0.6151000     0.9794000     ?             ?      
1 1 1 35 23 38 o -0.3311000     0.9858000     ?             ?      
1 1 1 35 23 39 o 0.2933000      0.9822000     ?             ?      
1 1 1 35 23 40 o -0.9499000     0.9743000     ?             ?      
1 1 1 35 23 41 o 0.1874000      0.9727000     ?             ?      
1 1 1 35 23 42 o -0.4992000     0.9725000     ?             ?      
1 1 1 35 23 43 o -0.3550000     0.9743000     ?             ?      
1 1 1 35 23 44 o 2.002000       0.9949000     ?             ?      
1 1 1 35 23 45 o -0.5130000     1.204000      ?             ?      
1 1 1 35 23 46 o 0.4668000      1.220000      ?             ?      
1 1 1 35 23 47 o -1.899000      1.294000      ?             ?      
1 1 1 35 23 48 o 0.2521000      1.124000      ?             ?      
1 1 1 35 23 49 o -1.249000      1.265000      ?             ?      
1 1 1 35 23 50 o -0.6710000     1.146000      ?             ?      
1 1 1 35 23 51 o -0.7816000     1.100000      ?             ?      
1 1 1 35 23 52 o -1.141000      1.133000      ?             ?      
1 1 1 35 23 53 o 0.2899000      1.149000      ?             ?      
1 1 1 35 23 54 o 1.807000       2.954000      ?             ?      
1 1 1 35 24 0  o -0.1334000     1.439000      45.24543      -90.0  
1 1 1 35 24 1  o -0.3454000     1.099000      20.46638      35.2   
1 1 1 35 24 2  o -1.040000      1.051000      93.76668      -34.6  
1 1 1 35 24 3  o 0.9208000      1.078000      100.3857      77.3   
1 1 1 35 24 4  o -1.068000      1.131000      86.33382      32.8   
1 1 1 35 24 5  o 2.537000       1.266000      148.6447      -170.0 
1 1 1 35 24 6  o -1.005000      1.256000      74.71283      167.3  
1 1 1 35 24 7  o -0.2816000E-01 1.163000      47.34142      -44.8  
1 1 1 35 24 8  o 1.341000       1.172000      11.72355      -33.1  
1 1 1 35 24 9  o 0.3464000      1.186000      37.87648      164.3  
1 1 1 35 24 10 o -0.9733000E-01 1.188000      77.97045      30.9   
1 1 1 35 24 11 o 0.8702000      1.182000      39.83792      -3.6   
1 1 1 35 24 12 o 0.6412000E-01  1.304000      59.72732      68.5   
1 1 1 35 24 13 o 0.9054000      1.362000      66.64641      158.9  
1 1 1 35 24 14 o -1.298000      1.369000      138.0107      -81.5  
1 1 1 35 24 15 o 1.011000       1.364000      27.55873      -163.5 
1 1 1 35 24 16 o -0.7758000E-01 1.235000      92.67466      -68.4  
1 1 1 35 24 17 o -1.598000      1.207000      63.87472      150.6  
1 1 1 35 24 18 o -1.979000      1.209000      29.93394      125.8  
1 1 1 35 24 19 o -0.1437000     1.238000      98.33282      148.3  
1 1 1 35 24 20 o -0.5160000     1.267000      135.7842      -174.6 
1 1 1 35 24 21 o 1.188000       1.264000      68.08483      -112.8 
1 1 1 35 24 22 o -1.773000      1.222000      78.51997      -38.1  
1 1 1 35 24 23 o -1.087000      1.287000      23.92650      124.8  
1 1 1 35 24 24 o 1.436000       1.282000      84.74579      70.8   
1 1 1 35 24 25 o 0.8327000      1.444000      43.68082      -132.3 
1 1 1 35 24 26 o -1.169000      1.422000      64.74917      12.2   
1 1 1 35 24 27 o -1.436000      1.337000      45.50830      -112.9 
1 1 1 35 24 28 o 1.070000       1.437000      ?             ?      
1 1 1 35 24 29 o -0.1833000     1.241000      ?             ?      
1 1 1 35 24 30 o -0.5701000     1.239000      ?             ?      
1 1 1 35 24 31 o -1.141000      1.115000      ?             ?      
1 1 1 35 24 32 o -1.611000      1.090000      ?             ?      
1 1 1 35 24 33 o -1.207000      1.032000      ?             ?      
1 1 1 35 24 34 o 0.8433000E-01  1.005000      ?             ?      
1 1 1 35 24 35 o 0.4799000      0.9959000     ?             ?      
1 1 1 35 24 36 o -0.3125000     0.9830000     ?             ?      
1 1 1 35 24 37 o -1.793000      0.9700000     ?             ?      
1 1 1 35 24 38 o 0.1776000      0.9725000     ?             ?      
1 1 1 35 24 39 o 0.1673000      0.9805000     ?             ?      
1 1 1 35 24 40 o 0.2792000      0.9746000     ?             ?      
1 1 1 35 24 41 o -0.5684000     0.9747000     ?             ?      
1 1 1 35 24 42 o -0.7457000     0.9683000     ?             ?      
1 1 1 35 24 43 o -1.306000      0.9767000     ?             ?      
1 1 1 35 24 44 o -0.6471000     0.9811000     ?             ?      
1 1 1 35 24 45 o 1.871000       1.203000      ?             ?      
1 1 1 35 24 46 o -1.181000      1.189000      ?             ?      
1 1 1 35 24 47 o -0.2886000     1.282000      ?             ?      
1 1 1 35 24 48 o -0.8754000     1.261000      ?             ?      
1 1 1 35 24 49 o 1.946000       1.484000      ?             ?      
1 1 1 35 24 50 o -0.7621000     1.125000      ?             ?      
1 1 1 35 24 51 o -2.218000      1.052000      ?             ?      
1 1 1 35 24 52 o 1.738000       1.206000      ?             ?      
1 1 1 35 24 53 o -1.897000      1.277000      ?             ?      
1 1 1 35 25 0  o -0.8038000     1.862000      138.1016      90.0   
1 1 1 35 25 1  o 1.402000       1.136000      130.7100      25.8   
1 1 1 35 25 2  o 0.7009000      1.092000      142.1875      170.2  
1 1 1 35 25 3  o 1.483000       1.096000      147.5412      152.5  
1 1 1 35 25 4  o 0.1284000      1.151000      139.8118      -119.5 
1 1 1 35 25 5  o 1.012000       1.271000      82.72550      37.3   
1 1 1 35 25 6  o 2.770000       1.279000      123.9526      -93.0  
1 1 1 35 25 7  o 1.227000       1.292000      77.53997      165.1  
1 1 1 35 25 8  o 0.6964000      1.216000      198.3091      -44.1  
1 1 1 35 25 9  o 1.443000       1.178000      109.7192      149.6  
1 1 1 35 25 10 o -0.8320000     1.165000      142.2142      -120.4 
1 1 1 35 25 11 o -0.8318000     1.152000      16.49328      -46.2  
1 1 1 35 25 12 o -1.532000      1.174000      147.0631      -56.9  
1 1 1 35 25 13 o 2.370000       1.221000      88.35637      46.6   
1 1 1 35 25 14 o -1.324000      1.257000      60.92816      -115.0 
1 1 1 35 25 15 o -1.753000      1.394000      72.91821      71.3   
1 1 1 35 25 16 o -0.8857000     1.596000      84.69105      -135.4 
1 1 1 35 25 17 o 1.896000       1.400000      90.48959      10.6   
1 1 1 35 25 18 o 1.233000       1.259000      102.0093      -14.6  
1 1 1 35 25 19 o 0.7666000E-01  1.247000      117.9963      -110.4 
1 1 1 35 25 20 o 2.357000       1.224000      31.20867      170.6  
1 1 1 35 25 21 o 0.1161000      1.242000      15.73138      -21.9  
1 1 1 35 25 22 o 0.5814000      1.226000      50.16296      -108.3 
1 1 1 35 25 23 o -0.3838000     1.290000      48.62769      -165.2 
1 1 1 35 25 24 o 0.6430000      1.281000      75.24257      -66.4  
1 1 1 35 25 25 o 0.4663000E-01  1.270000      43.95380      70.6   
1 1 1 35 25 26 o 1.482000       1.370000      127.0562      -48.5  
1 1 1 35 25 27 o 1.029000       1.385000      ?             ?      
1 1 1 35 25 28 o 1.711000       1.654000      ?             ?      
1 1 1 35 25 29 o 0.3734000      1.525000      ?             ?      
1 1 1 35 25 30 o 0.1888000      1.199000      ?             ?      
1 1 1 35 25 31 o 1.587000       1.188000      ?             ?      
1 1 1 35 25 32 o 0.2871000      1.150000      ?             ?      
1 1 1 35 25 33 o 0.6370000      1.030000      ?             ?      
1 1 1 35 25 34 o 0.3004000      1.006000      ?             ?      
1 1 1 35 25 35 o 0.6299000E-01  0.9878000     ?             ?      
1 1 1 35 25 36 o 1.516000       0.9772000     ?             ?      
1 1 1 35 25 37 o 0.5937000      0.9762000     ?             ?      
1 1 1 35 25 38 o -1.124000      0.9681000     ?             ?      
1 1 1 35 25 39 o -0.6503000     0.9714000     ?             ?      
1 1 1 35 25 40 o -0.2753000     0.9725000     ?             ?      
1 1 1 35 25 41 o 0.8701000      0.9791000     ?             ?      
1 1 1 35 25 42 o 0.1292000      0.9785000     ?             ?      
1 1 1 35 25 43 o 0.8739000      0.9782000     ?             ?      
1 1 1 35 25 44 o 0.1524000      0.9786000     ?             ?      
1 1 1 35 25 45 o -0.1701000     1.005000      ?             ?      
1 1 1 35 25 46 o -1.555000      1.198000      ?             ?      
1 1 1 35 25 47 o 1.479000       1.366000      ?             ?      
1 1 1 35 25 48 o -0.3871000E-01 1.309000      ?             ?      
1 1 1 35 25 49 o 0.3469000      1.486000      ?             ?      
1 1 1 35 25 50 o -0.3969000E-01 1.168000      ?             ?      
1 1 1 35 25 51 o -0.3411000     1.155000      ?             ?      
1 1 1 35 25 52 o 0.1580000      1.133000      ?             ?      
1 1 1 35 26 0  o 0.5294000      1.923000      2.937613      -90.0  
1 1 1 35 26 1  o 2.377000       1.167000      219.1941      -140.6 
1 1 1 35 26 2  o 1.858000       1.121000      220.3583      8.1    
1 1 1 35 26 3  o -0.7707000     1.101000      133.3002      -53.5  
1 1 1 35 26 4  o -0.5656000     1.162000      54.08195      79.1   
1 1 1 35 26 5  o 1.103000       1.292000      91.39156      40.2   
1 1 1 35 26 6  o 2.021000       1.278000      73.90273      27.4   
1 1 1 35 26 7  o -0.3437000     1.296000      84.19704      -42.4  
1 1 1 35 26 8  o -1.144000      1.186000      138.2874      163.7  
1 1 1 35 26 9  o -0.6722000     1.182000      171.8024      27.1   
1 1 1 35 26 10 o 0.8263000E-02  1.168000      47.59362      -120.2 
1 1 1 35 26 11 o -2.721000      1.168000      101.2614      8.4    
1 1 1 35 26 12 o 0.4235000      1.197000      119.0389      111.4  
1 1 1 35 26 13 o 0.3707000      1.215000      73.21549      -165.5 
1 1 1 35 26 14 o -0.6820000     1.228000      42.56963      103.8  
1 1 1 35 26 15 o -0.6591000     1.251000      49.19155      -141.3 
1 1 1 35 26 16 o -1.963000      1.283000      57.53909      116.6  
1 1 1 35 26 17 o 1.979000       1.319000      81.89484      -75.1  
1 1 1 35 26 18 o 1.223000       1.421000      132.1378      32.0   
1 1 1 35 26 19 o 2.289000       1.613000      92.18324      179.2  
1 1 1 35 26 20 o 1.218000       1.376000      132.7437      -121.7 
1 1 1 35 26 21 o 1.292000       1.239000      70.50320      -72.1  
1 1 1 35 26 22 o -1.086000      1.232000      76.61402      60.8   
1 1 1 35 26 23 o 1.467000       1.306000      33.76825      167.0  
1 1 1 35 26 24 o 3.771000       1.306000      57.68673      84.6   
1 1 1 35 26 25 o -2.510000      1.407000      ?             ?      
1 1 1 35 26 26 o -0.9295000     1.387000      ?             ?      
1 1 1 35 26 27 o 1.001000       1.393000      ?             ?      
1 1 1 35 26 28 o 1.281000       1.293000      ?             ?      
1 1 1 35 26 29 o -0.7757000     1.265000      ?             ?      
1 1 1 35 26 30 o 2.436000       1.358000      ?             ?      
1 1 1 35 26 31 o -0.5792000     1.081000      ?             ?      
1 1 1 35 26 32 o -0.1092000     1.071000      ?             ?      
1 1 1 35 26 33 o -0.9309000     1.013000      ?             ?      
1 1 1 35 26 34 o 0.7094000      1.093000      ?             ?      
1 1 1 35 26 35 o -1.084000      1.073000      ?             ?      
1 1 1 35 26 36 o 0.2007000      0.9936000     ?             ?      
1 1 1 35 26 37 o 0.7888000      0.9846000     ?             ?      
1 1 1 35 26 38 o 1.933000       0.9828000     ?             ?      
1 1 1 35 26 39 o -0.5691000     0.9719000     ?             ?      
1 1 1 35 26 40 o 0.4940000      0.9877000     ?             ?      
1 1 1 35 26 41 o 0.9539000      0.9933000     ?             ?      
1 1 1 35 26 42 o 0.8631000      0.9909000     ?             ?      
1 1 1 35 26 43 o -0.4897000     0.9852000     ?             ?      
1 1 1 35 26 44 o -0.7357000E-01 0.9938000     ?             ?      
1 1 1 35 26 45 o 0.5871000      0.9928000     ?             ?      
1 1 1 35 26 46 o 1.624000       1.227000      ?             ?      
1 1 1 35 26 47 o 1.577000       1.419000      ?             ?      
1 1 1 35 26 48 o -0.2354000     1.963000      ?             ?      
1 1 1 35 26 49 o -1.608000      1.427000      ?             ?      
1 1 1 35 26 50 o -0.1711000     1.572000      ?             ?      
1 1 1 35 26 51 o 0.6925000      1.061000      ?             ?      
1 1 1 35 26 52 o 0.9194000      1.107000      ?             ?      
1 1 1 35 27 0  o 0.3625000      1.553000      27.26869      90.0   
1 1 1 35 27 1  o 3.129000       1.119000      297.3887      65.0   
1 1 1 35 27 2  o 0.9496000      1.121000      233.5629      -173.6 
1 1 1 35 27 3  o 0.1921000      1.115000      125.5934      159.8  
1 1 1 35 27 4  o 2.620000       1.195000      151.8732      -165.4 
1 1 1 35 27 5  o 3.033000       1.320000      178.2012      90.9   
1 1 1 35 27 6  o 0.2419000E-01  1.286000      99.30045      -50.3  
1 1 1 35 27 7  o 1.064000       1.311000      84.37622      -92.6  
1 1 1 35 27 8  o 0.4874000      1.286000      154.3762      4.8    
1 1 1 35 27 9  o -2.640000      1.179000      72.31367      -141.8 
1 1 1 35 27 10 o -0.6167000     1.181000      140.9357      -177.0 
1 1 1 35 27 11 o -0.7972000     1.197000      79.34774      -144.6 
1 1 1 35 27 12 o -1.501000      1.212000      67.62170      -132.7 
1 1 1 35 27 13 o -1.814000      1.224000      70.79372      -150.9 
1 1 1 35 27 14 o 1.522000       1.243000      61.18278      -145.9 
1 1 1 35 27 15 o 0.4834000      1.266000      127.8958      102.6  
1 1 1 35 27 16 o 0.5165000      1.275000      88.23087      -25.5  
1 1 1 35 27 17 o 0.8848000      1.291000      61.61362      -18.6  
1 1 1 35 27 18 o 1.100000       1.306000      72.21514      -13.4  
1 1 1 35 27 19 o 0.6033000      1.291000      92.36810      -173.0 
1 1 1 35 27 20 o -1.195000      1.277000      17.52988      159.8  
1 1 1 35 27 21 o 0.9346000      1.385000      123.6790      -37.0  
1 1 1 35 27 22 o -0.9122000     1.487000      101.4335      -97.4  
1 1 1 35 27 23 o 0.4088000      1.501000      160.6410      -161.5 
1 1 1 35 27 24 o -0.6643000     1.320000      ?             ?      
1 1 1 35 27 25 o -1.738000      1.451000      ?             ?      
1 1 1 35 27 26 o 0.4576000      1.398000      ?             ?      
1 1 1 35 27 27 o -1.182000      1.266000      ?             ?      
1 1 1 35 27 28 o 1.695000       1.316000      ?             ?      
1 1 1 35 27 29 o -0.2741000     1.381000      ?             ?      
1 1 1 35 27 30 o -0.7195000     1.323000      ?             ?      
1 1 1 35 27 31 o 1.888000       1.206000      ?             ?      
1 1 1 35 27 32 o 0.8977000      1.012000      ?             ?      
1 1 1 35 27 33 o 1.687000       1.018000      ?             ?      
1 1 1 35 27 34 o 0.8694000      1.041000      ?             ?      
1 1 1 35 27 35 o -1.733000      1.028000      ?             ?      
1 1 1 35 27 36 o 1.095000       1.005000      ?             ?      
1 1 1 35 27 37 o 1.020000       1.076000      ?             ?      
1 1 1 35 27 38 o -0.1803000     1.070000      ?             ?      
1 1 1 35 27 39 o 0.8806000      0.9925000     ?             ?      
1 1 1 35 27 40 o 0.7098000      0.9851000     ?             ?      
1 1 1 35 27 41 o -0.5273000     0.9917000     ?             ?      
1 1 1 35 27 42 o 0.7185000      0.9920000     ?             ?      
1 1 1 35 27 43 o 0.8447000      0.9902000     ?             ?      
1 1 1 35 27 44 o -0.6395000     0.9934000     ?             ?      
1 1 1 35 27 45 o -0.5223000     1.008000      ?             ?      
1 1 1 35 27 46 o -0.9470000     2.168000      ?             ?      
1 1 1 35 27 47 o -0.6582000     2.323000      ?             ?      
1 1 1 35 27 48 o -0.8554000     2.412000      ?             ?      
1 1 1 35 27 49 o -0.8228000     1.171000      ?             ?      
1 1 1 35 27 50 o 0.1405000      1.134000      ?             ?      
1 1 1 35 27 51 o -0.4037000     1.539000      ?             ?      
1 1 1 35 28 0  o 8.076000       1.670000      210.5247      -90.0  
1 1 1 35 28 1  o -1.086000      1.112000      91.09760      -53.2  
1 1 1 35 28 2  o -0.8840000     1.104000      55.24616      45.2   
1 1 1 35 28 3  o 4.199000       1.144000      260.5637      -90.1  
1 1 1 35 28 4  o 0.7928000      1.149000      72.80216      82.0   
1 1 1 35 28 5  o 3.233000       1.245000      170.1101      51.5   
1 1 1 35 28 6  o 1.017000       1.362000      38.73315      -59.7  
1 1 1 35 28 7  o -0.5149000     1.318000      48.84128      23.9   
1 1 1 35 28 8  o -0.8150000     1.323000      43.08025      -50.8  
1 1 1 35 28 9  o -0.4446000     1.338000      64.95507      -63.9  
1 1 1 35 28 10 o 2.281000       1.222000      126.5716      -109.7 
1 1 1 35 28 11 o 1.542000       1.235000      86.32757      -31.1  
1 1 1 35 28 12 o 0.3926000      1.247000      36.29980      152.6  
1 1 1 35 28 13 o 1.980000       1.265000      146.9032      -110.3 
1 1 1 35 28 14 o 2.514000       1.257000      73.36512      147.5  
1 1 1 35 28 15 o 0.6224000      1.273000      15.18661      126.4  
1 1 1 35 28 16 o 2.394000       1.303000      177.9997      142.7  
1 1 1 35 28 17 o 0.4952000      1.294000      66.91617      -103.5 
1 1 1 35 28 18 o 0.5403000E-01  1.279000      65.88722      53.9   
1 1 1 35 28 19 o 1.144000       1.277000      11.27733      -132.5 
1 1 1 35 28 20 o -0.1490000     1.250000      57.94701      7.1    
1 1 1 35 28 21 o 0.9037000E-01  1.291000      73.90678      -141.6 
1 1 1 35 28 22 o 1.131000       1.279000      ?             ?      
1 1 1 35 28 23 o 1.476000       1.341000      ?             ?      
1 1 1 35 28 24 o 0.3424000      1.490000      ?             ?      
1 1 1 35 28 25 o -1.256000      1.447000      ?             ?      
1 1 1 35 28 26 o 0.2396000      1.439000      ?             ?      
1 1 1 35 28 27 o -0.1176000     1.331000      ?             ?      
1 1 1 35 28 28 o -1.482000      1.253000      ?             ?      
1 1 1 35 28 29 o 3.026000       1.384000      ?             ?      
1 1 1 35 28 30 o -0.2722000     1.099000      ?             ?      
1 1 1 35 28 31 o 1.785000       1.148000      ?             ?      
1 1 1 35 28 32 o 1.283000       1.181000      ?             ?      
1 1 1 35 28 33 o 0.7016000      1.000000      ?             ?      
1 1 1 35 28 34 o -0.5609000     0.9801000     ?             ?      
1 1 1 35 28 35 o 0.6867000      0.9907000     ?             ?      
1 1 1 35 28 36 o -0.5913000     0.9872000     ?             ?      
1 1 1 35 28 37 o -0.4358000E-01 1.031000      ?             ?      
1 1 1 35 28 38 o -0.8191000E-02 1.021000      ?             ?      
1 1 1 35 28 39 o 0.1944000      0.9772000     ?             ?      
1 1 1 35 28 40 o 0.6600000      1.063000      ?             ?      
1 1 1 35 28 41 o -0.9579000     1.064000      ?             ?      
1 1 1 35 28 42 o 1.336000       1.008000      ?             ?      
1 1 1 35 28 43 o 0.7187000      0.9964000     ?             ?      
1 1 1 35 28 44 o -0.2131000E-01 1.119000      ?             ?      
1 1 1 35 28 45 o -1.467000      1.226000      ?             ?      
1 1 1 35 28 46 o -0.1828000E-01 1.270000      ?             ?      
1 1 1 35 28 47 o -0.1203000     1.362000      ?             ?      
1 1 1 35 28 48 o 0.4935000      1.381000      ?             ?      
1 1 1 35 28 49 o -0.4117000E-01 1.173000      ?             ?      
1 1 1 35 28 50 o -1.906000      1.488000      ?             ?      
1 1 1 35 29 0  o 1.007000       1.565000      130.4685      90.0   
1 1 1 35 29 1  o 1.831000       1.126000      151.8875      17.7   
1 1 1 35 29 2  o -0.1547000     1.108000      89.09373      171.1  
1 1 1 35 29 3  o -0.1546000     1.134000      82.63943      -85.7  
1 1 1 35 29 4  o 0.4969000      1.166000      212.4686      137.5  
1 1 1 35 29 5  f 7.376000       1.314000      303.0090      66.1   
1 1 1 35 29 6  o 1.290000       1.348000      69.43999      -171.8 
1 1 1 35 29 7  o -0.1430000     1.365000      86.41763      -26.6  
1 1 1 35 29 8  o 2.752000       1.371000      124.7940      4.3    
1 1 1 35 29 9  o -0.6286000     1.370000      46.69093      -56.2  
1 1 1 35 29 10 o 0.1277000      1.412000      145.0773      161.6  
1 1 1 35 29 11 o -1.114000      1.275000      81.08197      -92.8  
1 1 1 35 29 12 o 2.776000       1.306000      179.6706      11.3   
1 1 1 35 29 13 o 3.281000       1.295000      214.2964      -100.4 
1 1 1 35 29 14 o 1.766000       1.315000      94.75915      -134.3 
1 1 1 35 29 15 o 2.767000       1.327000      183.1253      -121.8 
1 1 1 35 29 16 o 0.3910000      1.307000      77.85994      -108.6 
1 1 1 35 29 17 o 1.752000       1.313000      188.3514      -103.7 
1 1 1 35 29 18 o 2.539000       1.307000      81.68571      7.0    
1 1 1 35 29 19 o 0.6916000      1.277000      164.5203      159.6  
1 1 1 35 29 20 o -0.3125000     1.266000      ?             ?      
1 1 1 35 29 21 o 1.133000       1.265000      ?             ?      
1 1 1 35 29 22 o -0.8459000E-01 1.390000      ?             ?      
1 1 1 35 29 23 o 3.496000       1.608000      ?             ?      
1 1 1 35 29 24 o 0.9008000      1.568000      ?             ?      
1 1 1 35 29 25 o 0.8262000      1.503000      ?             ?      
1 1 1 35 29 26 o -1.390000      1.294000      ?             ?      
1 1 1 35 29 27 o 0.1480000      1.325000      ?             ?      
1 1 1 35 29 28 o -2.154000      1.705000      ?             ?      
1 1 1 35 29 29 o -1.973000      1.644000      ?             ?      
1 1 1 35 29 30 o 1.102000       1.221000      ?             ?      
1 1 1 35 29 31 o 0.8234000      1.143000      ?             ?      
1 1 1 35 29 32 o 0.7546000      1.116000      ?             ?      
1 1 1 35 29 33 o 0.2638000      1.177000      ?             ?      
1 1 1 35 29 34 o -0.2095000     0.9905000     ?             ?      
1 1 1 35 29 35 o -0.8734000E-01 0.9675000     ?             ?      
1 1 1 35 29 36 o 1.736000       0.9907000     ?             ?      
1 1 1 35 29 37 o 1.329000       0.9886000     ?             ?      
1 1 1 35 29 38 o -0.3574000     0.9779000     ?             ?      
1 1 1 35 29 39 o 0.5298000      0.9847000     ?             ?      
1 1 1 35 29 40 o -0.5865000     1.012000      ?             ?      
1 1 1 35 29 41 o -1.393000      1.024000      ?             ?      
1 1 1 35 29 42 o -1.242000      1.133000      ?             ?      
1 1 1 35 29 43 o -2.626000      1.252000      ?             ?      
1 1 1 35 29 44 o -0.4782000     1.203000      ?             ?      
1 1 1 35 29 45 o -0.2060000     1.074000      ?             ?      
1 1 1 35 29 46 o -0.2159000     1.240000      ?             ?      
1 1 1 35 29 47 o -0.2106000     1.876000      ?             ?      
1 1 1 35 29 48 o 0.3221000      1.344000      ?             ?      
1 1 1 35 29 49 o -0.7768000     1.137000      ?             ?      
1 1 1 35 29 50 o -1.175000      1.512000      ?             ?      
1 1 1 35 30 0  o 0.6671000      1.432000      187.7290      90.0   
1 1 1 35 30 1  f 2.357000       1.191000      112.4834      48.4   
1 1 1 35 30 2  o 0.6016000      1.121000      117.8320      -101.3 
1 1 1 35 30 3  o 0.8549000      1.170000      192.6323      -112.8 
1 1 1 35 30 4  o 3.491000       1.207000      146.6330      89.2   
1 1 1 35 30 5  o 0.2476000      1.224000      96.05175      -92.4  
1 1 1 35 30 6  o -0.4629000     1.372000      72.37866      -135.1 
1 1 1 35 30 7  o 0.6331000      1.364000      86.51818      77.9   
1 1 1 35 30 8  o 2.003000       1.368000      20.50069      -87.4  
1 1 1 35 30 9  o -1.196000      1.387000      92.41073      156.2  
1 1 1 35 30 10 o 0.1224000E-01  1.435000      89.76546      -110.8 
1 1 1 35 30 11 o 1.747000       1.471000      119.0716      -22.7  
1 1 1 35 30 12 o 2.393000       1.309000      188.4156      -46.8  
1 1 1 35 30 13 o -2.332000      1.316000      69.48243      -78.8  
1 1 1 35 30 14 o 4.917000       1.352000      263.6617      -1.7   
1 1 1 35 30 15 o 2.326000       1.338000      133.9071      19.4   
1 1 1 35 30 16 o -1.488000      1.298000      51.07223      122.6  
1 1 1 35 30 17 o 1.468000       1.319000      115.9151      157.4  
1 1 1 35 30 18 o 2.737000       1.304000      ?             ?      
1 1 1 35 30 19 o 1.011000       1.278000      ?             ?      
1 1 1 35 30 20 o 2.327000       1.278000      ?             ?      
1 1 1 35 30 21 o -0.8206000     1.257000      ?             ?      
1 1 1 35 30 22 o 0.4919000      1.394000      ?             ?      
1 1 1 35 30 23 o 2.161000       1.603000      ?             ?      
1 1 1 35 30 24 o 2.770000       1.560000      ?             ?      
1 1 1 35 30 25 o 0.9208000E-01  1.344000      ?             ?      
1 1 1 35 30 26 o 0.2549000      1.384000      ?             ?      
1 1 1 35 30 27 o 0.8274000      1.359000      ?             ?      
1 1 1 35 30 28 o -0.9598000     1.519000      ?             ?      
1 1 1 35 30 29 o -1.549000      1.422000      ?             ?      
1 1 1 35 30 30 o 0.6409000      1.198000      ?             ?      
1 1 1 35 30 31 o 0.7291000E-01  1.307000      ?             ?      
1 1 1 35 30 32 o -0.4210000E-01 1.260000      ?             ?      
1 1 1 35 30 33 o 1.257000       1.156000      ?             ?      
1 1 1 35 30 34 o -0.1549000     1.170000      ?             ?      
1 1 1 35 30 35 o 2.265000       0.9971000     ?             ?      
1 1 1 35 30 36 o 0.3903000      0.9755000     ?             ?      
1 1 1 35 30 37 o 0.8214000      0.9818000     ?             ?      
1 1 1 35 30 38 o -0.3235000     0.9788000     ?             ?      
1 1 1 35 30 39 o 0.4157000      0.9991000     ?             ?      
1 1 1 35 30 40 o -1.145000      1.166000      ?             ?      
1 1 1 35 30 41 o 0.2964000      1.113000      ?             ?      
1 1 1 35 30 42 o -0.2919000     1.061000      ?             ?      
1 1 1 35 30 43 o -0.3015000     1.042000      ?             ?      
1 1 1 35 30 44 o 0.4747000      1.098000      ?             ?      
1 1 1 35 30 45 o 0.1471000      1.080000      ?             ?      
1 1 1 35 30 46 o -1.078000      1.192000      ?             ?      
1 1 1 35 30 47 o 1.370000       1.393000      ?             ?      
1 1 1 35 30 48 o 1.351000       1.395000      ?             ?      
1 1 1 35 30 49 o -0.6508000     1.358000      ?             ?      
1 1 1 35 31 0  o 0.9442000      1.414000      182.2093      90.0   
1 1 1 35 31 1  o -0.2820000     1.165000      51.22228      -41.1  
1 1 1 35 31 2  o 0.8654000      1.107000      72.09157      -106.9 
1 1 1 35 31 3  o 1.109000       1.163000      143.2136      -59.0  
1 1 1 35 31 4  o 0.1706000      1.154000      123.8582      -155.2 
1 1 1 35 31 5  o -1.520000      1.196000      122.6506      83.1   
1 1 1 35 31 6  o 1.475000       1.395000      82.91865      101.6  
1 1 1 35 31 7  o 2.957000       1.418000      215.7767      -45.9  
1 1 1 35 31 8  o 1.601000       1.400000      90.61953      -78.5  
1 1 1 35 31 9  o 1.311000       1.411000      98.60056      -17.4  
1 1 1 35 31 10 o 2.103000       1.458000      120.8314      83.8   
1 1 1 35 31 11 o 0.7630000      1.465000      152.7403      -11.9  
1 1 1 35 31 12 o 4.010000       1.509000      220.4655      42.2   
1 1 1 35 31 13 o 3.922000       1.306000      63.20290      167.9  
1 1 1 35 31 14 o 0.3452000      1.301000      80.13813      -176.7 
1 1 1 35 31 15 o 1.664000       1.313000      103.1968      168.4  
1 1 1 35 31 16 o -1.507000      1.288000      ?             ?      
1 1 1 35 31 17 o 0.8450000      1.297000      ?             ?      
1 1 1 35 31 18 o 0.8613000      1.281000      ?             ?      
1 1 1 35 31 19 o 1.375000       1.280000      ?             ?      
1 1 1 35 31 20 o 2.645000       1.267000      ?             ?      
1 1 1 35 31 21 o 1.439000       1.258000      ?             ?      
1 1 1 35 31 22 o 1.520000       1.630000      ?             ?      
1 1 1 35 31 23 o -0.7967000     1.591000      ?             ?      
1 1 1 35 31 24 o -1.753000      1.559000      ?             ?      
1 1 1 35 31 25 o -0.1576000E-01 1.332000      ?             ?      
1 1 1 35 31 26 o 1.108000       1.356000      ?             ?      
1 1 1 35 31 27 o -0.3739000     1.541000      ?             ?      
1 1 1 35 31 28 o -1.305000      1.523000      ?             ?      
1 1 1 35 31 29 o 2.488000       1.512000      ?             ?      
1 1 1 35 31 30 o 0.3435000      1.231000      ?             ?      
1 1 1 35 31 31 o -0.7706000E-01 1.177000      ?             ?      
1 1 1 35 31 32 o -1.300000      1.190000      ?             ?      
1 1 1 35 31 33 o 0.2593000      1.149000      ?             ?      
1 1 1 35 31 34 o 1.103000       1.275000      ?             ?      
1 1 1 35 31 35 o 1.435000       1.313000      ?             ?      
1 1 1 35 31 36 o 0.2818000      1.007000      ?             ?      
1 1 1 35 31 37 o 0.6180000E-02  1.159000      ?             ?      
1 1 1 35 31 38 o 0.7084000      1.197000      ?             ?      
1 1 1 35 31 39 o 0.2167000      1.100000      ?             ?      
1 1 1 35 31 40 o -0.3920000     1.050000      ?             ?      
1 1 1 35 31 41 o -0.7460000     1.020000      ?             ?      
1 1 1 35 31 42 o 0.1795000      1.025000      ?             ?      
1 1 1 35 31 43 o -0.7445000     1.021000      ?             ?      
1 1 1 35 31 44 o 0.8088000      1.576000      ?             ?      
1 1 1 35 31 45 o -0.9791000     1.203000      ?             ?      
1 1 1 35 31 46 o 0.7308000      1.246000      ?             ?      
1 1 1 35 31 47 o 0.2170000      1.316000      ?             ?      
1 1 1 35 31 48 o -1.668000      1.349000      ?             ?      
1 1 1 35 32 0  o -0.1381000     1.402000      177.3181      90.0   
1 1 1 35 32 1  o 2.244000       1.070000      141.2008      -67.7  
1 1 1 35 32 2  o -0.5838000     1.106000      66.07415      -40.3  
1 1 1 35 32 3  o 1.475000       1.129000      175.9394      64.9   
1 1 1 35 32 4  o -1.054000      1.159000      96.39452      161.0  
1 1 1 35 32 5  o 6.632000       1.262000      344.3335      -112.1 
1 1 1 35 32 6  o 2.996000       1.453000      175.4903      115.8  
1 1 1 35 32 7  o 2.929000       1.484000      238.9089      88.4   
1 1 1 35 32 8  o 1.838000       1.472000      67.23014      -143.9 
1 1 1 35 32 9  o 0.8734000      1.414000      65.09348      -174.1 
1 1 1 35 32 10 o -1.252000      1.401000      45.83974      -30.6  
1 1 1 35 32 11 o 1.375000       1.443000      136.3718      173.5  
1 1 1 35 32 12 o -0.6012000     1.427000      93.68287      -131.9 
1 1 1 35 32 13 o -1.017000      1.389000      ?             ?      
1 1 1 35 32 14 o 1.010000       1.254000      ?             ?      
1 1 1 35 32 15 o -0.7311000     1.248000      ?             ?      
1 1 1 35 32 16 o 0.1779000      1.273000      ?             ?      
1 1 1 35 32 17 o 0.1978000E-01  1.280000      ?             ?      
1 1 1 35 32 18 o 0.6306000      1.286000      ?             ?      
1 1 1 35 32 19 o 1.346000       1.285000      ?             ?      
1 1 1 35 32 20 o -0.5292000     1.261000      ?             ?      
1 1 1 35 32 21 o 1.826000       1.416000      ?             ?      
1 1 1 35 32 22 o -1.627000      1.640000      ?             ?      
1 1 1 35 32 23 o 0.6225000      1.609000      ?             ?      
1 1 1 35 32 24 o -1.972000      1.337000      ?             ?      
1 1 1 35 32 25 o 0.3092000E-01  1.379000      ?             ?      
1 1 1 35 32 26 o -3.310000      1.346000      ?             ?      
1 1 1 35 32 27 o -1.170000      1.520000      ?             ?      
1 1 1 35 32 28 o -0.6442000     1.482000      ?             ?      
1 1 1 35 32 29 o -1.171000      1.271000      ?             ?      
1 1 1 35 32 30 o -0.4542000     1.199000      ?             ?      
1 1 1 35 32 31 o -1.809000      1.172000      ?             ?      
1 1 1 35 32 32 o 0.4768000      1.193000      ?             ?      
1 1 1 35 32 33 o 0.9934000      1.173000      ?             ?      
1 1 1 35 32 34 o 1.750000       1.173000      ?             ?      
1 1 1 35 32 35 o -0.5026000     1.155000      ?             ?      
1 1 1 35 32 36 o 1.004000       1.190000      ?             ?      
1 1 1 35 32 37 o 0.1098000      1.134000      ?             ?      
1 1 1 35 32 38 o 0.2929000      1.041000      ?             ?      
1 1 1 35 32 39 o 0.6582000      1.010000      ?             ?      
1 1 1 35 32 40 o 0.1016000E-02  1.004000      ?             ?      
1 1 1 35 32 41 o 0.3012000      1.025000      ?             ?      
1 1 1 35 32 42 o 1.265000       1.032000      ?             ?      
1 1 1 35 32 43 o 0.3844000      1.066000      ?             ?      
1 1 1 35 32 44 o 0.7174000      1.119000      ?             ?      
1 1 1 35 32 45 o 0.5031000E-01  1.185000      ?             ?      
1 1 1 35 32 46 o -0.8531000     1.150000      ?             ?      
1 1 1 35 32 47 o -0.7371000     1.298000      ?             ?      
1 1 1 35 33 0  o -0.9458000     1.378000      57.63050      90.0   
1 1 1 35 33 1  o 0.3834000      1.018000      26.79778      151.1  
1 1 1 35 33 2  o 0.3876000      1.101000      211.9989      -153.3 
1 1 1 35 33 3  o 2.017000       1.126000      169.4557      -41.1  
1 1 1 35 33 4  o 0.4971000      1.146000      58.44493      -27.4  
1 1 1 35 33 5  o 0.7880000      1.195000      92.40855      -137.4 
1 1 1 35 33 6  o 0.1377000      1.296000      31.54748      179.4  
1 1 1 35 33 7  o 3.837000       1.489000      313.9706      -66.4  
1 1 1 35 33 8  o 0.4662000      1.431000      51.14932      -148.2 
1 1 1 35 33 9  o 0.5629000      1.384000      ?             ?      
1 1 1 35 33 10 o -0.2742000E-01 1.407000      ?             ?      
1 1 1 35 33 11 o 2.593000       1.434000      ?             ?      
1 1 1 35 33 12 o -0.7213000     1.386000      ?             ?      
1 1 1 35 33 13 o 0.8973000      1.359000      ?             ?      
1 1 1 35 33 14 o 0.1442000      1.369000      ?             ?      
1 1 1 35 33 15 o -0.2924000     1.272000      ?             ?      
1 1 1 35 33 16 o 1.001000       1.249000      ?             ?      
1 1 1 35 33 17 o -0.2630000     1.251000      ?             ?      
1 1 1 35 33 18 o -0.4580000     1.248000      ?             ?      
1 1 1 35 33 19 o -2.008000      1.229000      ?             ?      
1 1 1 35 33 20 o -0.3795000     1.242000      ?             ?      
1 1 1 35 33 21 o 1.059000       1.641000      ?             ?      
1 1 1 35 33 22 o 1.482000       1.642000      ?             ?      
1 1 1 35 33 23 o 1.588000       1.389000      ?             ?      
1 1 1 35 33 24 o -0.7216000     1.355000      ?             ?      
1 1 1 35 33 25 o -0.5532000     1.345000      ?             ?      
1 1 1 35 33 26 o 0.3027000      1.556000      ?             ?      
1 1 1 35 33 27 o -1.033000      1.512000      ?             ?      
1 1 1 35 33 28 o 0.7288000E-01  1.473000      ?             ?      
1 1 1 35 33 29 o 1.338000       1.251000      ?             ?      
1 1 1 35 33 30 o 0.4556000      1.249000      ?             ?      
1 1 1 35 33 31 o 0.6875000      1.198000      ?             ?      
1 1 1 35 33 32 o -1.359000      1.185000      ?             ?      
1 1 1 35 33 33 o 0.1526000      1.195000      ?             ?      
1 1 1 35 33 34 o -1.142000      1.187000      ?             ?      
1 1 1 35 33 35 o 0.6550000      1.179000      ?             ?      
1 1 1 35 33 36 o -0.1042000     1.160000      ?             ?      
1 1 1 35 33 37 o 0.1072000      1.179000      ?             ?      
1 1 1 35 33 38 o 2.294000       1.268000      ?             ?      
1 1 1 35 33 39 o -0.7325000     1.007000      ?             ?      
1 1 1 35 33 40 o -0.1331000     1.057000      ?             ?      
1 1 1 35 33 41 o 0.4003000      1.059000      ?             ?      
1 1 1 35 33 42 o -3.219000      1.072000      ?             ?      
1 1 1 35 33 43 o 1.165000       1.090000      ?             ?      
1 1 1 35 33 44 o 0.1116000      1.543000      ?             ?      
1 1 1 35 33 45 o -1.794000      1.404000      ?             ?      
1 1 1 35 33 46 o 0.6930000      1.089000      ?             ?      
1 1 1 35 34 0  o 1.069000       1.394000      ?             ?      
1 1 1 35 34 1  o -0.2092000     1.001000      ?             ?      
1 1 1 35 34 2  o 0.5457000E-01  1.112000      ?             ?      
1 1 1 35 34 3  o -0.4964000     1.111000      ?             ?      
1 1 1 35 34 4  o -1.496000      1.129000      ?             ?      
1 1 1 35 34 5  o 0.2536000      1.155000      ?             ?      
1 1 1 35 34 6  o 1.305000       1.254000      ?             ?      
1 1 1 35 34 7  o 1.430000       1.378000      ?             ?      
1 1 1 35 34 8  o -1.093000      1.346000      ?             ?      
1 1 1 35 34 9  o -2.179000      1.342000      ?             ?      
1 1 1 35 34 10 o 2.432000       1.388000      ?             ?      
1 1 1 35 34 11 o -0.8877000     1.356000      ?             ?      
1 1 1 35 34 12 o 0.3254000      1.358000      ?             ?      
1 1 1 35 34 13 o 0.4014000      1.354000      ?             ?      
1 1 1 35 34 14 o -0.6842000     1.402000      ?             ?      
1 1 1 35 34 15 o -0.5862000     1.357000      ?             ?      
1 1 1 35 34 16 f -1.756000      1.214000      ?             ?      
1 1 1 35 34 17 o -0.9175000     1.218000      ?             ?      
1 1 1 35 34 18 o 1.761000       1.214000      ?             ?      
1 1 1 35 34 19 o 1.148000       1.220000      ?             ?      
1 1 1 35 34 20 o 1.993000       1.627000      ?             ?      
1 1 1 35 34 21 o -0.8815000     1.603000      ?             ?      
1 1 1 35 34 22 o 0.1407000      1.590000      ?             ?      
1 1 1 35 34 23 o -1.183000      1.358000      ?             ?      
1 1 1 35 34 24 o -0.5561000     1.360000      ?             ?      
1 1 1 35 34 25 o -0.7915000     1.337000      ?             ?      
1 1 1 35 34 26 o 0.6623000      1.551000      ?             ?      
1 1 1 35 34 27 o 0.5269000      1.521000      ?             ?      
1 1 1 35 34 28 o 0.7343000      1.279000      ?             ?      
1 1 1 35 34 29 o 1.493000       1.271000      ?             ?      
1 1 1 35 34 30 o 1.067000       1.265000      ?             ?      
1 1 1 35 34 31 o 1.529000       1.231000      ?             ?      
1 1 1 35 34 32 o 0.8509000      1.254000      ?             ?      
1 1 1 35 34 33 o -2.278000      1.220000      ?             ?      
1 1 1 35 34 34 o 0.3628000      1.184000      ?             ?      
1 1 1 35 34 35 o -0.6912000     1.187000      ?             ?      
1 1 1 35 34 36 o 0.9332000      1.169000      ?             ?      
1 1 1 35 34 37 o -1.093000      1.160000      ?             ?      
1 1 1 35 34 38 o 0.7586000      1.185000      ?             ?      
1 1 1 35 34 39 o 0.5284000      1.236000      ?             ?      
1 1 1 35 34 40 o -1.797000      1.061000      ?             ?      
1 1 1 35 34 41 o 0.8119000E-01  1.155000      ?             ?      
1 1 1 35 34 42 o 0.8313000      1.294000      ?             ?      
1 1 1 35 34 43 o 0.5431000      1.301000      ?             ?      
1 1 1 35 34 44 o -0.9069000     1.249000      ?             ?      
1 1 1 35 34 45 o 0.1451000      1.150000      ?             ?      
1 1 1 35 34 46 o 0.8545000      2.476000      ?             ?      
1 1 1 35 35 0  o -0.8215000     1.343000      ?             ?      
1 1 1 35 35 1  o -0.7157000     0.9719000     ?             ?      
1 1 1 35 35 2  o -1.185000      1.074000      ?             ?      
1 1 1 35 35 3  o 2.143000       1.087000      ?             ?      
1 1 1 35 35 4  o 1.581000       1.108000      ?             ?      
1 1 1 35 35 5  o 1.391000       1.151000      ?             ?      
1 1 1 35 35 6  o 0.5718000      1.177000      ?             ?      
1 1 1 35 35 7  o 1.098000       1.351000      ?             ?      
1 1 1 35 35 8  o -0.4310000     1.310000      ?             ?      
1 1 1 35 35 9  o 1.641000       1.340000      ?             ?      
1 1 1 35 35 10 o 1.414000       1.347000      ?             ?      
1 1 1 35 35 11 o 1.835000       1.332000      ?             ?      
1 1 1 35 35 12 o -0.5051000     1.339000      ?             ?      
1 1 1 35 35 13 o 0.6257000      1.375000      ?             ?      
1 1 1 35 35 14 o -0.1704000     1.347000      ?             ?      
1 1 1 35 35 15 o -0.1623000     1.343000      ?             ?      
1 1 1 35 35 16 o 0.7857000      1.375000      ?             ?      
1 1 1 35 35 17 o -1.376000      1.208000      ?             ?      
1 1 1 35 35 18 o 1.040000       1.208000      ?             ?      
1 1 1 35 35 19 o 1.360000       1.400000      ?             ?      
1 1 1 35 35 20 o -0.3797000     1.600000      ?             ?      
1 1 1 35 35 21 o 0.1322000      1.625000      ?             ?      
1 1 1 35 35 22 o 0.3693000      1.355000      ?             ?      
1 1 1 35 35 23 o -0.5567000E-01 1.333000      ?             ?      
1 1 1 35 35 24 o 1.367000       1.334000      ?             ?      
1 1 1 35 35 25 o -1.343000      1.582000      ?             ?      
1 1 1 35 35 26 o -0.4108000E-01 1.515000      ?             ?      
1 1 1 35 35 27 o 2.429000       1.523000      ?             ?      
1 1 1 35 35 28 o 0.8851000      1.260000      ?             ?      
1 1 1 35 35 29 o 0.2997000E-01  1.302000      ?             ?      
1 1 1 35 35 30 o 0.4090000      1.341000      ?             ?      
1 1 1 35 35 31 o 0.5576000      1.231000      ?             ?      
1 1 1 35 35 32 o -0.9865000     1.218000      ?             ?      
1 1 1 35 35 33 o -1.644000      1.212000      ?             ?      
1 1 1 35 35 34 o 0.5338000      1.195000      ?             ?      
1 1 1 35 35 35 o -0.6886000E-01 1.203000      ?             ?      
1 1 1 35 35 36 o 0.3887000      1.187000      ?             ?      
1 1 1 35 35 37 o 1.654000       1.189000      ?             ?      
1 1 1 35 35 38 o -1.440000      1.246000      ?             ?      
1 1 1 35 35 39 o 0.7975000      1.222000      ?             ?      
1 1 1 35 35 40 o 0.8904000      1.612000      ?             ?      
1 1 1 35 35 41 o -0.4062000E-01 1.252000      ?             ?      
1 1 1 35 35 42 f 1.028000       1.102000      ?             ?      
1 1 1 35 35 43 o -1.249000      1.200000      ?             ?      
1 1 1 35 35 44 o -0.3725000     1.235000      ?             ?      
1 1 1 35 35 45 o -5.094000      2.479000      ?             ?      
1 1 1 35 36 0  o -0.3717000     1.333000      ?             ?      
1 1 1 35 36 1  o -0.3120000E-01 0.9395000     ?             ?      
1 1 1 35 36 2  o 0.4845000      1.113000      ?             ?      
1 1 1 35 36 3  o -0.7723000     1.074000      ?             ?      
1 1 1 35 36 4  o 1.508000       1.130000      ?             ?      
1 1 1 35 36 5  o -0.3312000     1.120000      ?             ?      
1 1 1 35 36 6  o 0.2266000      1.138000      ?             ?      
1 1 1 35 36 7  o -0.4610000E-01 1.306000      ?             ?      
1 1 1 35 36 8  o -1.461000      1.324000      ?             ?      
1 1 1 35 36 9  o 0.5116000      1.352000      ?             ?      
1 1 1 35 36 10 o -1.512000      1.331000      ?             ?      
1 1 1 35 36 11 o 2.364000       1.349000      ?             ?      
1 1 1 35 36 12 o 0.6507000      1.364000      ?             ?      
1 1 1 35 36 13 o -0.4295000     1.325000      ?             ?      
1 1 1 35 36 14 o 2.624000       1.362000      ?             ?      
1 1 1 35 36 15 o -1.704000      1.325000      ?             ?      
1 1 1 35 36 16 o -0.2615000     1.324000      ?             ?      
1 1 1 35 36 17 o -2.024000      1.327000      ?             ?      
1 1 1 35 36 18 o 1.997000       1.231000      ?             ?      
1 1 1 35 36 19 o 1.067000       1.610000      ?             ?      
1 1 1 35 36 20 o 0.1923000      1.619000      ?             ?      
1 1 1 35 36 21 o -0.7678000     1.363000      ?             ?      
1 1 1 35 36 22 o -0.1283000E-01 1.332000      ?             ?      
1 1 1 35 36 23 o -2.159000      1.333000      ?             ?      
1 1 1 35 36 24 o -1.495000      1.328000      ?             ?      
1 1 1 35 36 25 o -1.020000      1.559000      ?             ?      
1 1 1 35 36 26 o -0.8038000     1.577000      ?             ?      
1 1 1 35 36 27 o -0.8594000     1.322000      ?             ?      
1 1 1 35 36 28 o 1.663000       1.293000      ?             ?      
1 1 1 35 36 29 o 0.6160000E-01  1.264000      ?             ?      
1 1 1 35 36 30 o -0.3974000     1.248000      ?             ?      
1 1 1 35 36 31 o 0.5420000      1.268000      ?             ?      
1 1 1 35 36 32 o 0.2633000      1.242000      ?             ?      
1 1 1 35 36 33 o 0.6422000      1.232000      ?             ?      
1 1 1 35 36 34 o -0.4875000     1.227000      ?             ?      
1 1 1 35 36 35 o -2.172000      1.303000      ?             ?      
1 1 1 35 36 36 o -1.801000      1.289000      ?             ?      
1 1 1 35 36 37 o -0.8664000     1.261000      ?             ?      
1 1 1 35 36 38 o 0.3580000      1.543000      ?             ?      
1 1 1 35 36 39 o -0.6611000     1.224000      ?             ?      
1 1 1 35 36 40 o 0.2127000      1.210000      ?             ?      
1 1 1 35 36 41 o -3.056000      2.475000      ?             ?      
1 1 1 35 36 42 o -0.2036000     1.306000      ?             ?      
1 1 1 35 36 43 o -0.9573000     1.193000      ?             ?      
1 1 1 35 37 0  o 0.9412000      1.328000      ?             ?      
1 1 1 35 37 1  o 0.2283000      0.9289000     ?             ?      
1 1 1 35 37 2  o 0.7032000      1.078000      ?             ?      
1 1 1 35 37 3  o 0.9022000E-01  1.053000      ?             ?      
1 1 1 35 37 4  o 1.954000       1.108000      ?             ?      
1 1 1 35 37 5  o -0.4918000     1.097000      ?             ?      
1 1 1 35 37 6  o 0.7729000      1.118000      ?             ?      
1 1 1 35 37 7  o 0.3930000      1.293000      ?             ?      
1 1 1 35 37 8  o 1.552000       1.314000      ?             ?      
1 1 1 35 37 9  o 0.7403000      1.311000      ?             ?      
1 1 1 35 37 10 o -1.170000      1.317000      ?             ?      
1 1 1 35 37 11 f -0.6331000E-01 1.350000      ?             ?      
1 1 1 35 37 12 o 1.444000       1.340000      ?             ?      
1 1 1 35 37 13 o 0.2591000      1.319000      ?             ?      
1 1 1 35 37 14 o 1.604000       1.345000      ?             ?      
1 1 1 35 37 15 o 1.758000       1.345000      ?             ?      
1 1 1 35 37 16 o -0.5682000     1.306000      ?             ?      
1 1 1 35 37 17 o 0.4512000      1.353000      ?             ?      
1 1 1 35 37 18 o -0.7487000     2.122000      ?             ?      
1 1 1 35 37 19 o -0.1179000     1.602000      ?             ?      
1 1 1 35 37 20 o 1.161000       1.601000      ?             ?      
1 1 1 35 37 21 o 0.1181000      1.331000      ?             ?      
1 1 1 35 37 22 o -1.153000      1.311000      ?             ?      
1 1 1 35 37 23 o -0.4467000     1.348000      ?             ?      
1 1 1 35 37 24 o -1.756000      1.617000      ?             ?      
1 1 1 35 37 25 o -1.282000      1.595000      ?             ?      
1 1 1 35 37 26 o -0.4480000     1.545000      ?             ?      
1 1 1 35 37 27 o 0.1428000E-01  1.355000      ?             ?      
1 1 1 35 37 28 o 0.5503000E-01  1.310000      ?             ?      
1 1 1 35 37 29 o 1.430000       1.283000      ?             ?      
1 1 1 35 37 30 o 1.309000       1.283000      ?             ?      
1 1 1 35 37 31 o -0.1850000     1.251000      ?             ?      
1 1 1 35 37 32 o 1.840000       1.275000      ?             ?      
1 1 1 35 37 33 o 2.013000       1.325000      ?             ?      
1 1 1 35 37 34 o -0.1402000     1.387000      ?             ?      
1 1 1 35 37 35 o -2.239000      1.565000      ?             ?      
1 1 1 35 37 36 o 0.1318000      1.575000      ?             ?      
1 1 1 35 37 37 o -1.097000      1.259000      ?             ?      
1 1 1 35 37 38 o -0.1021000     1.240000      ?             ?      
1 1 1 35 37 39 o 1.111000       1.230000      ?             ?      
1 1 1 35 37 40 o 0.9543000      1.397000      ?             ?      
1 1 1 35 37 41 o -0.8214000     1.393000      ?             ?      
1 1 1 35 37 42 o 0.2786000      1.314000      ?             ?      
1 1 1 35 38 0  o 2.950000       1.302000      ?             ?      
1 1 1 35 38 1  o 0.8591000      0.9097000     ?             ?      
1 1 1 35 38 2  o -1.647000      1.056000      ?             ?      
1 1 1 35 38 3  o -1.383000      1.046000      ?             ?      
1 1 1 35 38 4  o -0.9980000E-01 1.102000      ?             ?      
1 1 1 35 38 5  o 0.6871000      1.081000      ?             ?      
1 1 1 35 38 6  o 0.3536000      1.101000      ?             ?      
1 1 1 35 38 7  o -0.5868000     1.159000      ?             ?      
1 1 1 35 38 8  o 0.9418000      1.282000      ?             ?      
1 1 1 35 38 9  o -0.3252000     1.297000      ?             ?      
1 1 1 35 38 10 o 0.2639000      1.331000      ?             ?      
1 1 1 35 38 11 o 0.8190000      1.313000      ?             ?      
1 1 1 35 38 12 o -1.523000      1.296000      ?             ?      
1 1 1 35 38 13 o -1.757000      1.299000      ?             ?      
1 1 1 35 38 14 o -0.8358000     1.319000      ?             ?      
1 1 1 35 38 15 o 0.3021000      1.311000      ?             ?      
1 1 1 35 38 16 o -0.6246000     1.344000      ?             ?      
1 1 1 35 38 17 o -1.166000      2.086000      ?             ?      
1 1 1 35 38 18 o 0.2944000      2.127000      ?             ?      
1 1 1 35 38 19 o -2.409000      2.081000      ?             ?      
1 1 1 35 38 20 o 0.5791000      1.231000      ?             ?      
1 1 1 35 38 21 o 2.051000       1.339000      ?             ?      
1 1 1 35 38 22 o -0.6697000     1.399000      ?             ?      
1 1 1 35 38 23 o -2.590000      1.411000      ?             ?      
1 1 1 35 38 24 o -0.5310000     1.620000      ?             ?      
1 1 1 35 38 25 o 0.6804000      1.565000      ?             ?      
1 1 1 35 38 26 o -0.6863000     1.348000      ?             ?      
1 1 1 35 38 27 o -0.7663000     1.310000      ?             ?      
1 1 1 35 38 28 o 1.211000       1.332000      ?             ?      
1 1 1 35 38 29 o -0.5552000     1.314000      ?             ?      
1 1 1 35 38 30 o -0.2587000     1.324000      ?             ?      
1 1 1 35 38 31 o -0.5978000E-01 1.323000      ?             ?      
1 1 1 35 38 32 o 1.058000       1.295000      ?             ?      
1 1 1 35 38 33 o -1.075000      1.563000      ?             ?      
1 1 1 35 38 34 o -1.127000      1.535000      ?             ?      
1 1 1 35 38 35 o -0.4285000     1.286000      ?             ?      
1 1 1 35 38 36 o 0.6960000      1.287000      ?             ?      
1 1 1 35 38 37 o -0.1004000     1.289000      ?             ?      
1 1 1 35 38 38 o -1.993000      1.277000      ?             ?      
1 1 1 35 38 39 o 1.632000       1.443000      ?             ?      
1 1 1 35 38 40 o -2.795000      1.404000      ?             ?      
1 1 1 35 38 41 o -0.4887000     1.626000      ?             ?      
1 1 1 35 39 0  o -0.1524000     1.270000      ?             ?      
1 1 1 35 39 1  o -1.833000      0.8834000     ?             ?      
1 1 1 35 39 2  o 0.7305000      1.052000      ?             ?      
1 1 1 35 39 3  o -0.3471000     1.015000      ?             ?      
1 1 1 35 39 4  o 1.212000       1.088000      ?             ?      
1 1 1 35 39 5  o 0.6166000      1.077000      ?             ?      
1 1 1 35 39 6  o 0.4809000      1.099000      ?             ?      
1 1 1 35 39 7  o 0.2313000E-01  1.117000      ?             ?      
1 1 1 35 39 8  o -1.678000      1.274000      ?             ?      
1 1 1 35 39 9  o -0.3191000     1.294000      ?             ?      
1 1 1 35 39 10 o -0.8175000     1.301000      ?             ?      
1 1 1 35 39 11 o 1.000000       1.293000      ?             ?      
1 1 1 35 39 12 o -1.370000      1.294000      ?             ?      
1 1 1 35 39 13 o 1.480000       1.310000      ?             ?      
1 1 1 35 39 14 o -0.3815000     1.302000      ?             ?      
1 1 1 35 39 15 o 0.3834000      1.312000      ?             ?      
1 1 1 35 39 16 o -0.6536000E-01 1.614000      ?             ?      
1 1 1 35 39 17 o -0.1349000     2.101000      ?             ?      
1 1 1 35 39 18 o 0.5895000      2.093000      ?             ?      
1 1 1 35 39 19 o -0.9838000     1.393000      ?             ?      
1 1 1 35 39 20 o -0.8505000     1.382000      ?             ?      
1 1 1 35 39 21 o -0.8423000     1.297000      ?             ?      
1 1 1 35 39 22 o 0.2825000      1.339000      ?             ?      
1 1 1 35 39 23 o 0.8313000      1.368000      ?             ?      
1 1 1 35 39 24 o 0.9048000      1.625000      ?             ?      
1 1 1 35 39 25 o 0.5623000      1.587000      ?             ?      
1 1 1 35 39 26 o 0.5555000      1.327000      ?             ?      
1 1 1 35 39 27 o -0.4241000     1.315000      ?             ?      
1 1 1 35 39 28 o -0.1490000     1.341000      ?             ?      
1 1 1 35 39 29 o -0.7433000     1.407000      ?             ?      
1 1 1 35 39 30 o 0.7810000      1.616000      ?             ?      
1 1 1 35 39 31 o 0.4929000E-01  1.566000      ?             ?      
1 1 1 35 39 32 o 0.5120000      1.292000      ?             ?      
1 1 1 35 39 33 o 0.4389000      1.270000      ?             ?      
1 1 1 35 39 34 o -1.377000      1.272000      ?             ?      
1 1 1 35 39 35 o 2.237000       1.290000      ?             ?      
1 1 1 35 39 36 o -2.187000      1.278000      ?             ?      
1 1 1 35 39 37 o -0.2671000E-01 1.294000      ?             ?      
1 1 1 35 39 38 o 0.4058000      1.309000      ?             ?      
1 1 1 35 39 39 o -0.7632000     2.708000      ?             ?      
1 1 1 35 39 40 o 1.399000       1.706000      ?             ?      
1 1 1 35 40 0  o -0.5709000     1.258000      ?             ?      
1 1 1 35 40 1  o 0.1836000      0.8799000     ?             ?      
1 1 1 35 40 2  o -1.312000      1.037000      ?             ?      
1 1 1 35 40 3  f 0.7380000      1.017000      ?             ?      
1 1 1 35 40 4  o -0.3676000     1.042000      ?             ?      
1 1 1 35 40 5  o -0.2799000     1.065000      ?             ?      
1 1 1 35 40 6  o 0.3327000      1.077000      ?             ?      
1 1 1 35 40 7  o -0.2766000     1.111000      ?             ?      
1 1 1 35 40 8  o 1.550000       1.279000      ?             ?      
1 1 1 35 40 9  o 1.646000       1.272000      ?             ?      
1 1 1 35 40 10 o 1.690000       1.278000      ?             ?      
1 1 1 35 40 11 o 0.6118000      1.289000      ?             ?      
1 1 1 35 40 12 o 0.1006000      1.281000      ?             ?      
1 1 1 35 40 13 o 0.5163000      1.297000      ?             ?      
1 1 1 35 40 14 o 2.046000       1.307000      ?             ?      
1 1 1 35 40 15 o 0.2463000      1.350000      ?             ?      
1 1 1 35 40 16 o -0.4907000     1.631000      ?             ?      
1 1 1 35 40 17 o 0.9260000      1.657000      ?             ?      
1 1 1 35 40 18 o 1.078000       1.623000      ?             ?      
1 1 1 35 40 19 o 1.119000       1.335000      ?             ?      
1 1 1 35 40 20 o -1.460000      1.307000      ?             ?      
1 1 1 35 40 21 o -0.6511000     1.550000      ?             ?      
1 1 1 35 40 22 o 1.333000       1.347000      ?             ?      
1 1 1 35 40 23 o 0.1042000      1.627000      ?             ?      
1 1 1 35 40 24 o 0.9152000      1.575000      ?             ?      
1 1 1 35 40 25 o -0.7525000     1.336000      ?             ?      
1 1 1 35 40 26 o -0.9425000     1.395000      ?             ?      
1 1 1 35 40 27 o -1.878000      1.352000      ?             ?      
1 1 1 35 40 28 o -1.075000      1.566000      ?             ?      
1 1 1 35 40 29 o -0.9666000     1.576000      ?             ?      
1 1 1 35 40 30 o 0.2139000      1.335000      ?             ?      
1 1 1 35 40 31 o -0.3322000     1.355000      ?             ?      
1 1 1 35 40 32 o 0.3749000      1.321000      ?             ?      
1 1 1 35 40 33 o -1.140000      1.318000      ?             ?      
1 1 1 35 40 34 o 0.1263000      1.307000      ?             ?      
1 1 1 35 40 35 o 0.6272000      1.295000      ?             ?      
1 1 1 35 40 36 o 0.9501000      1.203000      ?             ?      
1 1 1 35 40 37 o -0.2862000     1.304000      ?             ?      
1 1 1 35 40 38 o 0.6266000      1.524000      ?             ?      
1 1 1 35 40 39 < 0.000000       -1.000000     ?             ?      
1 1 1 35 41 0  o -0.6300000     1.236000      ?             ?      
1 1 1 35 41 1  o 0.2916000E-01  0.8622000     ?             ?      
1 1 1 35 41 2  o -2.291000      0.9068000     ?             ?      
1 1 1 35 41 3  o -0.1336000     1.006000      ?             ?      
1 1 1 35 41 4  o 0.1183000      1.043000      ?             ?      
1 1 1 35 41 5  o 0.5911000      1.053000      ?             ?      
1 1 1 35 41 6  o 0.1338000      1.073000      ?             ?      
1 1 1 35 41 7  o -1.629000      1.107000      ?             ?      
1 1 1 35 41 8  o 1.637000       1.253000      ?             ?      
1 1 1 35 41 9  o 0.8181000      1.242000      ?             ?      
1 1 1 35 41 10 o 0.7213000E-01  1.265000      ?             ?      
1 1 1 35 41 11 o -0.3991000     1.284000      ?             ?      
1 1 1 35 41 12 o 0.3365000      1.292000      ?             ?      
1 1 1 35 41 13 o -1.662000      1.287000      ?             ?      
1 1 1 35 41 14 o -0.3036000     1.320000      ?             ?      
1 1 1 35 41 15 o 1.747000       1.670000      ?             ?      
1 1 1 35 41 16 o -1.196000      1.624000      ?             ?      
1 1 1 35 41 17 o 0.3071000      1.614000      ?             ?      
1 1 1 35 41 18 o -0.3430000E-01 1.326000      ?             ?      
1 1 1 35 41 19 o 1.887000       1.330000      ?             ?      
1 1 1 35 41 20 o 0.6309000      1.305000      ?             ?      
1 1 1 35 41 21 o -1.675000      1.517000      ?             ?      
1 1 1 35 41 22 o -1.451000      2.160000      ?             ?      
1 1 1 35 41 23 o -0.4087000     1.575000      ?             ?      
1 1 1 35 41 24 o -2.792000      1.622000      ?             ?      
1 1 1 35 41 25 o -0.3374000     1.567000      ?             ?      
1 1 1 35 41 26 o 0.7898000E-01  1.562000      ?             ?      
1 1 1 35 41 27 o 0.4410000      1.334000      ?             ?      
1 1 1 35 41 28 o 0.7907000      1.349000      ?             ?      
1 1 1 35 41 29 o 0.1387000E-01  1.328000      ?             ?      
1 1 1 35 41 30 o -1.286000      1.318000      ?             ?      
1 1 1 35 41 31 o -0.5768000E-01 1.326000      ?             ?      
1 1 1 35 41 32 o -1.482000      1.366000      ?             ?      
1 1 1 35 41 33 o -0.6330000     1.318000      ?             ?      
1 1 1 35 41 34 o 2.112000       1.356000      ?             ?      
1 1 1 35 41 35 o -1.682000      1.326000      ?             ?      
1 1 1 35 41 36 o 0.4695000      1.331000      ?             ?      
1 1 1 35 41 37 o 0.1673000      2.349000      ?             ?      
1 1 1 35 42 0  o -0.2175000     1.240000      ?             ?      
1 1 1 35 42 1  o -1.398000      0.8530000     ?             ?      
1 1 1 35 42 2  o 0.2402000      0.8861000     ?             ?      
1 1 1 35 42 3  o -0.5753000     0.9999000     ?             ?      
1 1 1 35 42 4  o -1.478000      1.019000      ?             ?      
1 1 1 35 42 5  o -0.3696000     1.065000      ?             ?      
1 1 1 35 42 6  o 0.4827000      1.085000      ?             ?      
1 1 1 35 42 7  o 0.2713000      1.228000      ?             ?      
1 1 1 35 42 8  o 0.6292000E-01  1.222000      ?             ?      
1 1 1 35 42 9  o -0.2686000     1.254000      ?             ?      
1 1 1 35 42 10 o 0.4069000      1.253000      ?             ?      
1 1 1 35 42 11 o -0.5777000     1.284000      ?             ?      
1 1 1 35 42 12 o -0.1357000     1.288000      ?             ?      
1 1 1 35 42 13 o -0.7892000     1.273000      ?             ?      
1 1 1 35 42 14 o -1.107000      1.998000      ?             ?      
1 1 1 35 42 15 o -1.451000      1.592000      ?             ?      
1 1 1 35 42 16 o -1.049000      1.596000      ?             ?      
1 1 1 35 42 17 o -1.013000      1.226000      ?             ?      
1 1 1 35 42 18 o -1.395000      1.304000      ?             ?      
1 1 1 35 42 19 o -0.5461000     1.290000      ?             ?      
1 1 1 35 42 20 o 0.3383000      1.338000      ?             ?      
1 1 1 35 42 21 o -3.553000      1.627000      ?             ?      
1 1 1 35 42 22 o 0.1730000      2.164000      ?             ?      
1 1 1 35 42 23 o -0.8489000     2.154000      ?             ?      
1 1 1 35 42 24 o -2.014000      1.560000      ?             ?      
1 1 1 35 42 25 o -0.6078000     1.331000      ?             ?      
1 1 1 35 42 26 o -1.358000      1.352000      ?             ?      
1 1 1 35 42 27 o 0.1022000      1.343000      ?             ?      
1 1 1 35 42 28 o 3.407000       1.363000      ?             ?      
1 1 1 35 42 29 o -1.399000      1.327000      ?             ?      
1 1 1 35 42 30 o -0.6530000E-01 1.316000      ?             ?      
1 1 1 35 42 31 o 0.2305000      1.342000      ?             ?      
1 1 1 35 42 32 o 0.6528000      1.134000      ?             ?      
1 1 1 35 42 33 o 0.7822000      1.349000      ?             ?      
1 1 1 35 42 34 o 2.567000       1.368000      ?             ?      
1 1 1 35 42 35 o 0.1614000      1.631000      ?             ?      
1 1 1 35 42 36 o 1.101000       2.464000      ?             ?      
1 1 1 35 43 0  o 1.369000       1.228000      ?             ?      
1 1 1 35 43 1  o 0.6981000      0.8551000     ?             ?      
1 1 1 35 43 2  o -0.4723000     0.8779000     ?             ?      
1 1 1 35 43 3  o -0.5859000     1.012000      ?             ?      
1 1 1 35 43 4  o -1.191000      1.164000      ?             ?      
1 1 1 35 43 5  o 0.4395000      1.173000      ?             ?      
1 1 1 35 43 6  o -0.9247000     1.075000      ?             ?      
1 1 1 35 43 7  o -1.958000      1.100000      ?             ?      
1 1 1 35 43 8  o 0.3631000      1.245000      ?             ?      
1 1 1 35 43 9  o -0.1606000     1.248000      ?             ?      
1 1 1 35 43 10 o 0.3519000E-02  1.256000      ?             ?      
1 1 1 35 43 11 o 0.5296000      1.260000      ?             ?      
1 1 1 35 43 12 o -1.296000      1.263000      ?             ?      
1 1 1 35 43 13 o 1.796000       1.332000      ?             ?      
1 1 1 35 43 14 o -1.038000      2.000000      ?             ?      
1 1 1 35 43 15 o -1.328000      1.584000      ?             ?      
1 1 1 35 43 16 o -0.6968000     1.217000      ?             ?      
1 1 1 35 43 17 o -0.3470000     1.210000      ?             ?      
1 1 1 35 43 18 o 1.463000       1.326000      ?             ?      
1 1 1 35 43 19 o -1.666000      1.321000      ?             ?      
1 1 1 35 43 20 o -0.6618000     1.404000      ?             ?      
1 1 1 35 43 21 o 1.584000       2.140000      ?             ?      
1 1 1 35 43 22 o 0.3939000      2.201000      ?             ?      
1 1 1 35 43 23 o -3.246000      2.064000      ?             ?      
1 1 1 35 43 24 o -0.1275000     1.545000      ?             ?      
1 1 1 35 43 25 o 0.6217000      1.554000      ?             ?      
1 1 1 35 43 26 o -0.4172000     1.355000      ?             ?      
1 1 1 35 43 27 o 0.9381000      1.318000      ?             ?      
1 1 1 35 43 28 o 0.7276000      1.336000      ?             ?      
1 1 1 35 43 29 o -1.800000      1.326000      ?             ?      
1 1 1 35 43 30 o 1.689000       1.342000      ?             ?      
1 1 1 35 43 31 o -0.9891000     1.153000      ?             ?      
1 1 1 35 43 32 o -1.678000      1.358000      ?             ?      
1 1 1 35 43 33 o -0.1285000     1.630000      ?             ?      
1 1 1 35 43 34 o -0.9209000     1.603000      ?             ?      
1 1 1 35 44 0  o -1.270000      1.204000      ?             ?      
1 1 1 35 44 1  f 1.682000       0.9093000     ?             ?      
1 1 1 35 44 2  o -0.1338000     0.9249000     ?             ?      
1 1 1 35 44 3  o -0.5026000E-01 1.029000      ?             ?      
1 1 1 35 44 4  o -0.5587000     1.017000      ?             ?      
1 1 1 35 44 5  o -0.9456000     1.101000      ?             ?      
1 1 1 35 44 6  o 0.5451000E-01  1.112000      ?             ?      
1 1 1 35 44 7  o -0.6460000     1.147000      ?             ?      
1 1 1 35 44 8  o -0.6371000     1.105000      ?             ?      
1 1 1 35 44 9  o -0.1045000     1.258000      ?             ?      
1 1 1 35 44 10 o -1.383000      1.248000      ?             ?      
1 1 1 35 44 11 o 1.718000       1.282000      ?             ?      
1 1 1 35 44 12 o -0.4476000     1.286000      ?             ?      
1 1 1 35 44 13 o 0.5070000      2.014000      ?             ?      
1 1 1 35 44 14 o 1.026000       2.006000      ?             ?      
1 1 1 35 44 15 o -0.9143000     1.583000      ?             ?      
1 1 1 35 44 16 o 0.7155000      1.194000      ?             ?      
1 1 1 35 44 17 o -0.9494000     1.221000      ?             ?      
1 1 1 35 44 18 o -2.018000      1.293000      ?             ?      
1 1 1 35 44 19 o 1.173000       1.352000      ?             ?      
1 1 1 35 44 20 o 0.6765000      1.362000      ?             ?      
1 1 1 35 44 21 f 1.663000       2.204000      ?             ?      
1 1 1 35 44 22 o -0.2190000     2.134000      ?             ?      
1 1 1 35 44 23 o -1.309000      1.067000      ?             ?      
1 1 1 35 44 24 o 0.4696000      1.582000      ?             ?      
1 1 1 35 44 25 o 0.6734000      1.556000      ?             ?      
1 1 1 35 44 26 o -0.1744000     1.595000      ?             ?      
1 1 1 35 44 27 o 0.4023000      1.338000      ?             ?      
1 1 1 35 44 28 o 4.629000       2.463000      ?             ?      
1 1 1 35 44 29 o 1.112000       1.350000      ?             ?      
1 1 1 35 44 30 o 0.9691000      1.348000      ?             ?      
1 1 1 35 44 31 o -0.3741000E-01 1.351000      ?             ?      
1 1 1 35 44 32 o -0.5017000     1.715000      ?             ?      
1 1 1 35 45 0  o -0.5933000     1.171000      ?             ?      
1 1 1 35 45 1  o 0.4394000      0.9210000     ?             ?      
1 1 1 35 45 2  o -0.8225000E-01 1.007000      ?             ?      
1 1 1 35 45 3  o -0.3149000     1.168000      ?             ?      
1 1 1 35 45 4  o 0.2325000      1.074000      ?             ?      
1 1 1 35 45 5  o 1.456000       1.067000      ?             ?      
1 1 1 35 45 6  o -0.1027000     1.079000      ?             ?      
1 1 1 35 45 7  o 0.5874000      1.108000      ?             ?      
1 1 1 35 45 8  o 0.6703000      1.116000      ?             ?      
1 1 1 35 45 9  o -1.014000      1.278000      ?             ?      
1 1 1 35 45 10 o 1.106000       1.269000      ?             ?      
1 1 1 35 45 11 o -0.9392000     1.290000      ?             ?      
1 1 1 35 45 12 o 0.6782000E-01  2.026000      ?             ?      
1 1 1 35 45 13 o -1.342000      2.009000      ?             ?      
1 1 1 35 45 14 o 1.016000       2.084000      ?             ?      
1 1 1 35 45 15 o -1.310000      1.298000      ?             ?      
1 1 1 35 45 16 o -1.007000      1.185000      ?             ?      
1 1 1 35 45 17 o -0.9848000     1.200000      ?             ?      
1 1 1 35 45 18 o -1.003000      1.346000      ?             ?      
1 1 1 35 45 19 o -0.2290000     1.356000      ?             ?      
1 1 1 35 45 20 o 0.4306000      1.387000      ?             ?      
1 1 1 35 45 21 o -0.2059000E-01 2.069000      ?             ?      
1 1 1 35 45 22 o 0.3026000      2.148000      ?             ?      
1 1 1 35 45 23 o -1.425000      1.538000      ?             ?      
1 1 1 35 45 24 o 0.1113000      1.548000      ?             ?      
1 1 1 35 45 25 o 1.667000       1.602000      ?             ?      
1 1 1 35 45 26 o -0.6689000     1.220000      ?             ?      
1 1 1 35 45 27 o 0.3310000      1.572000      ?             ?      
1 1 1 35 45 28 o 1.451000       1.363000      ?             ?      
1 1 1 35 45 29 o 0.4734000      1.348000      ?             ?      
1 1 1 35 45 30 o -0.8568000     1.088000      ?             ?      
1 1 1 35 46 0  o 1.193000       1.295000      ?             ?      
1 1 1 35 46 1  o 0.7340000      0.8839000     ?             ?      
1 1 1 35 46 2  o -1.056000      0.8802000     ?             ?      
1 1 1 35 46 3  o -0.3249000     1.068000      ?             ?      
1 1 1 35 46 4  o -1.237000      1.065000      ?             ?      
1 1 1 35 46 5  o -1.900000      1.125000      ?             ?      
1 1 1 35 46 6  o -1.914000      1.081000      ?             ?      
1 1 1 35 46 7  o -0.6231000     1.116000      ?             ?      
1 1 1 35 46 8  o -1.258000      1.119000      ?             ?      
1 1 1 35 46 9  o 0.1832000      1.291000      ?             ?      
1 1 1 35 46 10 o -0.7674000     1.307000      ?             ?      
1 1 1 35 46 11 o -0.7930000     2.032000      ?             ?      
1 1 1 35 46 12 o 0.8680000E-01  2.023000      ?             ?      
1 1 1 35 46 13 f -1.157000      2.014000      ?             ?      
1 1 1 35 46 14 o -0.1575000     1.267000      ?             ?      
1 1 1 35 46 15 o -0.3819000     1.231000      ?             ?      
1 1 1 35 46 16 o 1.241000       1.198000      ?             ?      
1 1 1 35 46 17 f 0.2938000      1.354000      ?             ?      
1 1 1 35 46 18 o 1.642000       1.375000      ?             ?      
1 1 1 35 46 19 o 0.8175000      1.368000      ?             ?      
1 1 1 35 46 20 o 0.6642000      1.654000      ?             ?      
1 1 1 35 46 21 o -1.835000      2.139000      ?             ?      
1 1 1 35 46 22 o 1.755000       1.574000      ?             ?      
1 1 1 35 46 23 o -1.763000      1.574000      ?             ?      
1 1 1 35 46 24 o 2.524000       1.600000      ?             ?      
1 1 1 35 46 25 o 0.8196000      1.585000      ?             ?      
1 1 1 35 46 26 o -3.380000      1.638000      ?             ?      
1 1 1 35 46 27 o -0.7604000     1.605000      ?             ?      
1 1 1 35 46 28 o -1.564000      1.605000      ?             ?      
1 1 1 35 47 0  o 1.159000       1.230000      ?             ?      
1 1 1 35 47 1  o 0.7389000      0.8576000     ?             ?      
1 1 1 35 47 2  o 0.8514000      0.8837000     ?             ?      
1 1 1 35 47 3  o 2.037000       1.147000      ?             ?      
1 1 1 35 47 4  o -1.211000      1.157000      ?             ?      
1 1 1 35 47 5  o -0.5121000E-01 1.088000      ?             ?      
1 1 1 35 47 6  o -0.1254000     1.139000      ?             ?      
1 1 1 35 47 7  o 0.3362000      1.177000      ?             ?      
1 1 1 35 47 8  o -0.2208000     1.220000      ?             ?      
1 1 1 35 47 9  o 0.8192000      1.343000      ?             ?      
1 1 1 35 47 10 o 1.134000       1.565000      ?             ?      
1 1 1 35 47 11 o -1.831000      2.019000      ?             ?      
1 1 1 35 47 12 o 1.366000       2.049000      ?             ?      
1 1 1 35 47 13 o -1.042000      1.391000      ?             ?      
1 1 1 35 47 14 o 0.4951000      1.246000      ?             ?      
1 1 1 35 47 15 o -0.1832000     1.247000      ?             ?      
1 1 1 35 47 16 f -0.2013000     1.221000      ?             ?      
1 1 1 35 47 17 o -0.2938000     1.354000      ?             ?      
1 1 1 35 47 18 o -0.7729000     1.379000      ?             ?      
1 1 1 35 47 19 o 1.857000       1.413000      ?             ?      
1 1 1 35 47 20 o 0.9472000E-02  1.675000      ?             ?      
1 1 1 35 47 21 o 1.841000       2.160000      ?             ?      
1 1 1 35 47 22 o 0.2760000      1.127000      ?             ?      
1 1 1 35 47 23 o -2.838000      1.575000      ?             ?      
1 1 1 35 47 24 o 0.8919000E-01  1.574000      ?             ?      
1 1 1 35 47 25 o -0.4072000     1.582000      ?             ?      
1 1 1 35 47 26 o 0.1750000      1.617000      ?             ?      
1 1 1 35 48 0  o 1.483000       1.237000      ?             ?      
1 1 1 35 48 1  o -0.3396000     0.8657000     ?             ?      
1 1 1 35 48 2  o 0.2361000      0.9091000     ?             ?      
1 1 1 35 48 3  o 0.9207000E-01  1.058000      ?             ?      
1 1 1 35 48 4  o 0.4002000E-01  1.086000      ?             ?      
1 1 1 35 48 5  o -1.123000      1.092000      ?             ?      
1 1 1 35 48 6  o 1.646000       1.268000      ?             ?      
1 1 1 35 48 7  o -1.685000      1.290000      ?             ?      
1 1 1 35 48 8  o 0.7489000      1.279000      ?             ?      
1 1 1 35 48 9  o -0.4997000     1.338000      ?             ?      
1 1 1 35 48 10 o -0.5651000     2.078000      ?             ?      
1 1 1 35 48 11 o 5.477000       2.093000      ?             ?      
1 1 1 35 48 12 o 0.6522000      2.058000      ?             ?      
1 1 1 35 48 13 o -0.4938000     1.373000      ?             ?      
1 1 1 35 48 14 o -0.6111000     1.282000      ?             ?      
1 1 1 35 48 15 f 0.7180000      1.230000      ?             ?      
1 1 1 35 48 16 o 0.2404000      1.220000      ?             ?      
1 1 1 35 48 17 o -0.7540000     1.298000      ?             ?      
1 1 1 35 48 18 o -0.7860000     1.380000      ?             ?      
1 1 1 35 48 19 o -3.160000      1.673000      ?             ?      
1 1 1 35 48 20 o -2.590000      3.114000      ?             ?      
1 1 1 35 48 21 o 0.5376000      1.405000      ?             ?      
1 1 1 35 48 22 o -2.605000      2.948000      ?             ?      
1 1 1 35 48 23 o -0.1264000     1.144000      ?             ?      
1 1 1 35 48 24 o 2.180000       4.224000      ?             ?      
1 1 1 35 49 0  o 0.7513000      1.341000      ?             ?      
1 1 1 35 49 1  o 0.1729000      0.9525000     ?             ?      
1 1 1 35 49 2  o -0.3694000     0.9581000     ?             ?      
1 1 1 35 49 3  o 0.5621000      1.053000      ?             ?      
1 1 1 35 49 4  o 1.006000       1.084000      ?             ?      
1 1 1 35 49 5  o 0.8063000E-01  1.104000      ?             ?      
1 1 1 35 49 6  o 2.574000       1.118000      ?             ?      
1 1 1 35 49 7  o -1.333000      1.046000      ?             ?      
1 1 1 35 49 8  o 0.1679000      1.139000      ?             ?      
1 1 1 35 49 9  o -1.490000      2.084000      ?             ?      
1 1 1 35 49 10 o -1.708000      1.189000      ?             ?      
1 1 1 35 49 11 o -2.252000      1.285000      ?             ?      
1 1 1 35 49 12 o 1.853000       1.403000      ?             ?      
1 1 1 35 49 13 o 3.835000       2.514000      ?             ?      
1 1 1 35 49 14 o 0.1701000      1.314000      ?             ?      
1 1 1 35 49 15 o 0.1098000E-01  1.264000      ?             ?      
1 1 1 35 49 16 o -0.3936000E-01 1.231000      ?             ?      
1 1 1 35 49 17 o -0.9227000     1.391000      ?             ?      
1 1 1 35 49 18 o -2.633000      1.420000      ?             ?      
1 1 1 35 49 19 o -2.514000      1.084000      ?             ?      
1 1 1 35 49 20 o -4.623000      4.058000      ?             ?      
1 1 1 35 49 21 o 1.827000       1.593000      ?             ?      
1 1 1 35 50 0  o 1.186000       1.311000      ?             ?      
1 1 1 35 50 1  o -0.8347000     1.164000      ?             ?      
1 1 1 35 50 2  o -1.580000      1.220000      ?             ?      
1 1 1 35 50 3  o -0.9089000     1.188000      ?             ?      
1 1 1 35 50 4  o -0.8180000     1.198000      ?             ?      
1 1 1 35 50 5  o -0.1080000     1.120000      ?             ?      
1 1 1 35 50 6  o 1.402000       1.119000      ?             ?      
1 1 1 35 50 7  o -0.2844000     1.144000      ?             ?      
1 1 1 35 50 8  o 0.9277000      1.536000      ?             ?      
1 1 1 35 50 9  o -2.162000      1.522000      ?             ?      
1 1 1 35 50 10 o -2.114000      2.010000      ?             ?      
1 1 1 35 50 11 o 1.962000       1.405000      ?             ?      
1 1 1 35 50 12 o 1.441000       1.416000      ?             ?      
1 1 1 35 50 13 o 2.844000       1.680000      ?             ?      
1 1 1 35 50 14 o -0.3908000     1.412000      ?             ?      
1 1 1 35 50 15 o 3.050000       4.162000      ?             ?      
1 1 1 35 50 16 o -4.884000      2.943000      ?             ?      
1 1 1 35 50 17 o -0.8744000     1.572000      ?             ?      
1 1 1 35 50 18 o -0.7897000     2.244000      ?             ?      
1 1 1 35 51 0  o -1.227000      1.285000      ?             ?      
1 1 1 35 51 1  o -0.3715000     1.024000      ?             ?      
1 1 1 35 51 2  o 0.5729000      1.018000      ?             ?      
1 1 1 35 51 3  o 0.4220000      1.117000      ?             ?      
1 1 1 35 51 4  o -0.5765000     1.251000      ?             ?      
1 1 1 35 51 5  o -0.5545000     1.274000      ?             ?      
1 1 1 35 51 6  o 0.6400000      1.286000      ?             ?      
1 1 1 35 51 7  o 0.1203000      1.510000      ?             ?      
1 1 1 35 51 8  o -1.475000      1.519000      ?             ?      
1 1 1 35 51 9  o 0.1640000      1.530000      ?             ?      
1 1 1 35 51 10 o 0.2586000      2.187000      ?             ?      
1 1 1 35 51 11 o -2.047000      1.614000      ?             ?      
1 1 1 35 51 12 o -0.8482000     1.595000      ?             ?      
1 1 1 35 51 13 o -1.932000      1.527000      ?             ?      
1 1 1 35 51 14 < 0.000000       -1.000000     ?             ?      
1 1 1 35 52 0  o 1.037000       1.409000      ?             ?      
1 1 1 35 52 1  o 0.6904000      1.602000      ?             ?      
1 1 1 35 52 2  o -2.796000      1.685000      ?             ?      
1 1 1 35 52 3  o 0.8993000      1.517000      ?             ?      
1 1 1 35 52 4  o 2.186000       1.534000      ?             ?      
1 1 1 35 52 5  o 0.2854000      1.539000      ?             ?      
1 1 1 35 52 6  o 0.7673000E-01  1.516000      ?             ?      
1 1 1 35 52 7  o 1.800000       1.594000      ?             ?      
1 1 1 35 52 8  < 0.000000       -1.000000     ?             ?      
1 1 1 36 0  0  o 0.7482000      2.085000      362.9784      -0.0   
1 1 1 36 0  1  o 3.201000       1.495000      132.6624      90.0   
1 1 1 36 0  2  o 4.116000       1.539000      248.7224      180.0  
1 1 1 36 0  3  o 15.69000       1.604000      479.1869      -90.0  
1 1 1 36 0  4  o -0.2523000     1.432000      52.82661      0.0    
1 1 1 36 0  5  o 0.4299000E-01  1.422000      240.6000      90.0   
1 1 1 36 0  6  o -0.5604000E-01 1.457000      12.65367      180.0  
1 1 1 36 0  7  o 0.1899000      1.495000      40.54454      -90.0  
1 1 1 36 0  8  o 10.79000       1.576000      190.6833      0.0    
1 1 1 36 0  9  o 0.7311000      1.572000      65.89468      90.0   
1 1 1 36 0  10 o 8.289000       1.638000      501.0376      -180.0 
1 1 1 36 0  11 o 4.368000       1.622000      85.30898      90.0   
1 1 1 36 0  12 o 0.6328000      1.547000      255.0147      0.0    
1 1 1 36 0  13 o 0.1197000      1.537000      13.33980      90.0   
1 1 1 36 0  14 o 6.441000       1.556000      324.4263      180.0  
1 1 1 36 0  15 o 9.068000       1.535000      473.3289      90.0   
1 1 1 36 0  16 f -0.5878000     1.403000      34.86032      180.0  
1 1 1 36 0  17 o 1.074000       1.348000      83.80168      -90.0  
1 1 1 36 0  18 o 4.745000       1.389000      323.4904      180.0  
1 1 1 36 0  19 o 4.348000       1.387000      222.5260      90.0   
1 1 1 36 0  20 o -0.6750000E-01 1.364000      79.82945      180.0  
1 1 1 36 0  21 o 3.173000       1.404000      312.0896      -90.0  
1 1 1 36 0  22 o -0.9022000     1.400000      117.0755      180.0  
1 1 1 36 0  23 o 2.866000       1.416000      140.8014      90.0   
1 1 1 36 0  24 o 0.1551000      1.401000      157.4782      0.0    
1 1 1 36 0  25 o 2.058000       1.388000      182.9827      90.0   
1 1 1 36 0  26 o 1.825000       1.407000      271.2237      180.0  
1 1 1 36 0  27 o -0.2768000     1.436000      121.3518      90.0   
1 1 1 36 0  28 o -3.070000      1.497000      161.4473      180.0  
1 1 1 36 0  29 o 3.997000       1.523000      303.9383      -90.0  
1 1 1 36 0  30 o 1.515000       1.494000      1.672407      0.0    
1 1 1 36 0  31 o 2.437000       1.515000      142.6268      90.0   
1 1 1 36 0  32 o 3.806000       1.550000      174.7001      -0.0   
1 1 1 36 0  33 o -0.5836000     1.551000      20.51441      90.0   
1 1 1 36 0  34 o 0.8715000      1.573000      78.60780      180.0  
1 1 1 36 0  35 o 2.365000       1.601000      241.0588      90.0   
1 1 1 36 0  36 o 3.151000       2.782000      272.5548      0.0    
1 1 1 36 0  37 o -0.6428000E-01 2.282000      ?             ?      
1 1 1 36 0  38 o 1.460000       3.799000      ?             ?      
1 1 1 36 0  39 o 1.341000       2.109000      ?             ?      
1 1 1 36 0  40 o 1.027000       1.914000      ?             ?      
1 1 1 36 0  41 o -0.3907000     1.852000      ?             ?      
1 1 1 36 0  42 o -0.5705000E-01 1.832000      ?             ?      
1 1 1 36 0  43 o -0.7414000E-01 1.601000      ?             ?      
1 1 1 36 0  44 o -0.9331000E-01 1.577000      ?             ?      
1 1 1 36 0  45 o 1.439000       1.541000      ?             ?      
1 1 1 36 0  46 o 1.151000       1.591000      ?             ?      
1 1 1 36 0  47 o -2.909000      1.523000      ?             ?      
1 1 1 36 0  48 o 1.710000       1.538000      ?             ?      
1 1 1 36 0  49 o 1.554000       1.758000      ?             ?      
1 1 1 36 0  50 o -2.531000      1.552000      ?             ?      
1 1 1 36 0  51 o -0.9214000     2.011000      ?             ?      
1 1 1 36 0  52 o 0.7287000      2.040000      ?             ?      
1 1 1 36 0  53 o 0.1331000      1.613000      ?             ?      
1 1 1 36 0  54 o 2.305000       1.645000      ?             ?      
1 1 1 36 0  55 o -1.277000      1.652000      ?             ?      
1 1 1 36 0  56 o -2.425000      1.672000      ?             ?      
1 1 1 36 0  57 o -2.030000      2.113000      ?             ?      
1 1 1 36 0  58 o 2.687000       1.935000      ?             ?      
1 1 1 36 1  0  o 2.515000       1.469000      287.7168      -0.0   
1 1 1 36 1  1  o 3.728000       1.056000      146.8991      -31.4  
1 1 1 36 1  2  o 22.59000       1.221000      752.7100      -50.4  
1 1 1 36 1  3  o 2.825000       1.049000      171.6409      -59.4  
1 1 1 36 1  4  o 2.240000       1.015000      106.5864      -26.7  
1 1 1 36 1  5  o 2.723000       1.017000      339.0976      79.6   
1 1 1 36 1  6  o 1.157000       1.026000      121.3022      160.3  
1 1 1 36 1  7  o -0.1385000     1.064000      221.7427      -117.3 
1 1 1 36 1  8  o 3.538000       1.121000      249.8829      -97.0  
1 1 1 36 1  9  o 6.155000       1.150000      301.0360      121.3  
1 1 1 36 1  10 o -1.463000      1.197000      89.30133      -3.2   
1 1 1 36 1  11 o 6.726000       1.225000      311.6466      -70.8  
1 1 1 36 1  12 o 1.455000       1.101000      181.5345      -150.2 
1 1 1 36 1  13 o 3.972000       1.114000      209.0456      79.0   
1 1 1 36 1  14 o 2.339000       1.081000      112.8744      67.5   
1 1 1 36 1  15 o 12.47000       1.108000      387.9377      -69.3  
1 1 1 36 1  16 o 2.434000       1.002000      111.1128      -80.1  
1 1 1 36 1  17 o -1.519000      0.9686000     26.65195      -4.0   
1 1 1 36 1  18 o 2.210000       0.9840000     173.0953      83.2   
1 1 1 36 1  19 o 3.715000       0.9860000     255.6962      -140.7 
1 1 1 36 1  20 o -0.2854000     0.9815000     126.8441      -18.6  
1 1 1 36 1  21 o -0.6894000E-02 0.9824000     84.62468      10.7   
1 1 1 36 1  22 o 0.5208000      0.9901000     85.33020      -129.5 
1 1 1 36 1  23 o 0.9847000      1.000000      109.8186      -137.0 
1 1 1 36 1  24 o 4.877000       1.017000      210.6434      -60.1  
1 1 1 36 1  25 o 1.006000       0.9926000     59.09678      -140.6 
1 1 1 36 1  26 o 0.9707000      1.001000      183.6283      -52.8  
1 1 1 36 1  27 o 4.318000       1.053000      405.3423      -11.9  
1 1 1 36 1  28 o 10.68000       1.179000      518.2349      69.7   
1 1 1 36 1  29 o 1.074000       1.059000      157.6228      -81.0  
1 1 1 36 1  30 o -0.1958000     1.039000      70.84359      56.6   
1 1 1 36 1  31 o -0.8209000     1.058000      127.4120      42.9   
1 1 1 36 1  32 o 3.377000       1.097000      295.1144      115.7  
1 1 1 36 1  33 o 3.456000       1.179000      252.6459      -22.1  
1 1 1 36 1  34 o 3.600000       1.236000      273.3589      67.2   
1 1 1 36 1  35 o 4.867000       1.227000      276.1873      7.2    
1 1 1 36 1  36 o 1.669000       1.598000      124.1042      135.5  
1 1 1 36 1  37 o -1.695000      1.732000      ?             ?      
1 1 1 36 1  38 o -0.3728000     2.173000      ?             ?      
1 1 1 36 1  39 o 2.245000       1.677000      ?             ?      
1 1 1 36 1  40 o 0.4916000      1.573000      ?             ?      
1 1 1 36 1  41 o 3.472000       1.491000      ?             ?      
1 1 1 36 1  42 o -0.2977000     1.234000      ?             ?      
1 1 1 36 1  43 o -0.4445000     1.139000      ?             ?      
1 1 1 36 1  44 o 1.065000       1.119000      ?             ?      
1 1 1 36 1  45 o -0.3037000     1.096000      ?             ?      
1 1 1 36 1  46 o -0.2518000     1.100000      ?             ?      
1 1 1 36 1  47 o 0.7048000      1.156000      ?             ?      
1 1 1 36 1  48 o -1.036000      1.080000      ?             ?      
1 1 1 36 1  49 o -0.3068000     1.238000      ?             ?      
1 1 1 36 1  50 o 0.6236000      1.101000      ?             ?      
1 1 1 36 1  51 o -0.5592000     1.162000      ?             ?      
1 1 1 36 1  52 o 1.256000       1.203000      ?             ?      
1 1 1 36 1  53 o 1.157000       1.320000      ?             ?      
1 1 1 36 1  54 o 0.4465000      1.328000      ?             ?      
1 1 1 36 1  55 o 2.608000       1.186000      ?             ?      
1 1 1 36 1  56 o 0.3591000E-01  1.353000      ?             ?      
1 1 1 36 1  57 o -0.7906000     1.513000      ?             ?      
1 1 1 36 1  58 o 0.3639000      2.024000      ?             ?      
1 1 1 36 2  0  o 1.558000       1.495000      182.2528      0.0    
1 1 1 36 2  1  o 6.839000       1.082000      420.8922      52.8   
1 1 1 36 2  2  o 7.968000       1.076000      321.2094      -82.7  
1 1 1 36 2  3  o 3.403000       1.038000      224.8920      26.4   
1 1 1 36 2  4  o 2.381000       1.015000      231.7095      -79.1  
1 1 1 36 2  5  o 4.199000       1.038000      406.6867      64.4   
1 1 1 36 2  6  o 2.262000       1.037000      240.7727      -148.2 
1 1 1 36 2  7  o 11.01000       1.184000      438.7050      -35.4  
1 1 1 36 2  8  o 2.824000       1.096000      159.7499      40.1   
1 1 1 36 2  9  o 0.9301000      1.111000      162.5241      -132.5 
1 1 1 36 2  10 o 9.838000       1.260000      478.0937      -161.2 
1 1 1 36 2  11 o 2.835000       1.181000      119.1016      -18.3  
1 1 1 36 2  12 o 1.207000       1.138000      198.8106      -112.4 
1 1 1 36 2  13 o 1.734000       1.087000      119.1393      107.9  
1 1 1 36 2  14 o 1.925000       1.074000      291.1852      -113.3 
1 1 1 36 2  15 o 5.111000       1.069000      302.9344      35.2   
1 1 1 36 2  16 o 2.919000       1.013000      285.3330      -66.7  
1 1 1 36 2  17 o 0.6810000      0.9834000     86.20007      117.3  
1 1 1 36 2  18 o 4.246000       1.007000      225.1890      -87.9  
1 1 1 36 2  19 o 2.384000       1.013000      139.4129      100.0  
1 1 1 36 2  20 o 14.47000       1.124000      602.2344      -100.9 
1 1 1 36 2  21 o 0.5748000      1.004000      103.2340      50.1   
1 1 1 36 2  22 o 1.078000       0.9954000     132.2979      140.6  
1 1 1 36 2  23 o 5.806000       1.038000      316.4642      48.6   
1 1 1 36 2  24 o 2.951000       1.006000      273.0235      41.2   
1 1 1 36 2  25 o 2.831000       1.003000      312.9256      32.0   
1 1 1 36 2  26 o -0.4446000     1.007000      8.397707      -123.8 
1 1 1 36 2  27 o 10.08000       1.108000      407.2326      129.1  
1 1 1 36 2  28 o 2.987000       1.075000      238.4131      144.7  
1 1 1 36 2  29 o 0.6512000      1.053000      126.7000      -131.4 
1 1 1 36 2  30 o 2.952000       1.056000      109.8029      58.0   
1 1 1 36 2  31 o 3.467000       1.134000      222.5722      172.1  
1 1 1 36 2  32 o 0.7502000      1.143000      151.0401      66.5   
1 1 1 36 2  33 o 2.293000       1.169000      266.7257      165.9  
1 1 1 36 2  34 o 4.430000       1.226000      320.3361      102.1  
1 1 1 36 2  35 o -0.2026000     1.163000      173.8297      139.1  
1 1 1 36 2  36 o -1.997000      1.290000      95.86328      -73.8  
1 1 1 36 2  37 o 2.408000       1.817000      ?             ?      
1 1 1 36 2  38 o 1.464000       2.017000      ?             ?      
1 1 1 36 2  39 o 2.051000       1.540000      ?             ?      
1 1 1 36 2  40 o 0.3714000      1.542000      ?             ?      
1 1 1 36 2  41 o 1.977000       1.343000      ?             ?      
1 1 1 36 2  42 o 0.5377000      1.227000      ?             ?      
1 1 1 36 2  43 o 2.702000       1.297000      ?             ?      
1 1 1 36 2  44 o 2.658000       1.262000      ?             ?      
1 1 1 36 2  45 o 0.5561000      1.182000      ?             ?      
1 1 1 36 2  46 o -2.709000      1.552000      ?             ?      
1 1 1 36 2  47 o 0.7111000      1.249000      ?             ?      
1 1 1 36 2  48 o 0.5600000      1.086000      ?             ?      
1 1 1 36 2  49 o 2.506000       1.097000      ?             ?      
1 1 1 36 2  50 o -0.9883000     1.092000      ?             ?      
1 1 1 36 2  51 o 0.3988000E-01  1.101000      ?             ?      
1 1 1 36 2  52 o 1.090000       1.130000      ?             ?      
1 1 1 36 2  53 o 1.925000       1.219000      ?             ?      
1 1 1 36 2  54 o 0.7265000      1.214000      ?             ?      
1 1 1 36 2  55 o 0.3211000      1.191000      ?             ?      
1 1 1 36 2  56 o 2.934000       1.346000      ?             ?      
1 1 1 36 2  57 o -0.3609000     1.685000      ?             ?      
1 1 1 36 2  58 o 1.797000       2.003000      ?             ?      
1 1 1 36 3  0  o 9.701000       1.549000      551.1027      -0.0   
1 1 1 36 3  1  o 2.453000       1.057000      301.1199      -69.0  
1 1 1 36 3  2  o 6.088000       1.055000      342.3900      -20.6  
1 1 1 36 3  3  o 3.650000       1.048000      254.8401      72.0   
1 1 1 36 3  4  o 2.327000       1.029000      163.9533      -130.9 
1 1 1 36 3  5  o 2.875000       1.022000      257.2832      28.6   
1 1 1 36 3  6  o 1.504000       1.027000      157.8250      168.2  
1 1 1 36 3  7  o 0.1748000      1.071000      36.64411      -52.2  
1 1 1 36 3  8  o 6.989000       1.112000      277.5466      86.9   
1 1 1 36 3  9  o 2.546000       1.172000      56.10089      -27.4  
1 1 1 36 3  10 o 15.33000       1.321000      505.9512      -26.5  
1 1 1 36 3  11 o 4.697000       1.215000      304.9282      -100.4 
1 1 1 36 3  12 o 4.207000       1.200000      243.9555      72.6   
1 1 1 36 3  13 o 7.355000       1.125000      409.3528      44.9   
1 1 1 36 3  14 o 0.5198000      1.057000      175.2048      159.7  
1 1 1 36 3  15 o 8.121000       1.091000      470.6951      -39.7  
1 1 1 36 3  16 o 3.837000       1.017000      310.7805      81.4   
1 1 1 36 3  17 o 1.374000       0.9868000     105.1814      40.0   
1 1 1 36 3  18 o -1.476000      0.9934000     85.01943      70.4   
1 1 1 36 3  19 f 11.64000       1.139000      407.8780      -44.6  
1 1 1 36 3  20 o 2.671000       1.042000      158.8372      135.1  
1 1 1 36 3  21 o 3.361000       1.027000      274.5965      -64.3  
1 1 1 36 3  22 o 2.780000       1.016000      225.2435      151.2  
1 1 1 36 3  23 o -0.9194000     1.049000      63.41486      68.1   
1 1 1 36 3  24 o 0.2755000      1.038000      163.1107      131.6  
1 1 1 36 3  25 o 1.801000       1.003000      195.9348      -140.5 
1 1 1 36 3  26 o -0.9951000     1.022000      156.5405      -21.0  
1 1 1 36 3  27 o 1.630000       1.057000      179.1273      -138.5 
1 1 1 36 3  28 o 1.526000       1.112000      116.1174      86.7   
1 1 1 36 3  29 o 1.912000       1.112000      235.3879      -100.3 
1 1 1 36 3  30 o 2.310000       1.113000      208.5234      15.2   
1 1 1 36 3  31 o -0.1624000     1.105000      29.51283      -7.5   
1 1 1 36 3  32 o -2.708000      1.113000      110.3938      -80.0  
1 1 1 36 3  33 o 1.155000       1.115000      232.9087      -39.7  
1 1 1 36 3  34 o 1.178000       1.151000      107.5852      91.4   
1 1 1 36 3  35 o -0.5629000     1.297000      165.2354      -97.0  
1 1 1 36 3  36 o 0.4411000      1.301000      101.4804      131.9  
1 1 1 36 3  37 o -0.7567000E-01 2.079000      ?             ?      
1 1 1 36 3  38 o -1.899000      1.983000      ?             ?      
1 1 1 36 3  39 o -0.2873000     1.576000      ?             ?      
1 1 1 36 3  40 o -1.671000      1.519000      ?             ?      
1 1 1 36 3  41 o -1.559000      1.336000      ?             ?      
1 1 1 36 3  42 o 2.022000       1.382000      ?             ?      
1 1 1 36 3  43 o -0.4012000     1.305000      ?             ?      
1 1 1 36 3  44 o 2.196000       1.393000      ?             ?      
1 1 1 36 3  45 o -0.8261000     1.100000      ?             ?      
1 1 1 36 3  46 o -0.6289000     1.142000      ?             ?      
1 1 1 36 3  47 o 0.9340000      1.084000      ?             ?      
1 1 1 36 3  48 o -2.921000      1.070000      ?             ?      
1 1 1 36 3  49 o -0.3420000     1.089000      ?             ?      
1 1 1 36 3  50 o 3.054000       1.108000      ?             ?      
1 1 1 36 3  51 o 2.812000       1.109000      ?             ?      
1 1 1 36 3  52 o 1.273000       1.138000      ?             ?      
1 1 1 36 3  53 o 2.278000       1.153000      ?             ?      
1 1 1 36 3  54 o 1.328000       1.147000      ?             ?      
1 1 1 36 3  55 o 0.8571000E-01  1.186000      ?             ?      
1 1 1 36 3  56 o -0.7688000     1.413000      ?             ?      
1 1 1 36 3  57 o 0.4689000      1.403000      ?             ?      
1 1 1 36 3  58 o 4.564000       2.144000      ?             ?      
1 1 1 36 4  0  o 3.041000       1.467000      241.3639      -0.0   
1 1 1 36 4  1  o 12.54000       1.097000      416.1170      67.6   
1 1 1 36 4  2  o 1.566000       1.021000      78.23038      -36.4  
1 1 1 36 4  3  o 5.850000       1.058000      483.3752      61.6   
1 1 1 36 4  4  o 3.628000       1.036000      259.0717      -98.5  
1 1 1 36 4  5  o 0.9560000      1.055000      179.4837      23.7   
1 1 1 36 4  6  o 2.902000       1.040000      266.6599      162.9  
1 1 1 36 4  7  o 1.417000       1.134000      108.7995      39.0   
1 1 1 36 4  8  o 2.149000       1.079000      116.4423      145.2  
1 1 1 36 4  9  o 0.6799000      1.112000      77.07676      -172.1 
1 1 1 36 4  10 o 5.098000       1.228000      219.2251      -174.8 
1 1 1 36 4  11 o 7.854000       1.242000      306.5655      120.3  
1 1 1 36 4  12 o 1.695000       1.166000      265.7207      136.4  
1 1 1 36 4  13 o -1.607000      1.079000      16.75364      -97.8  
1 1 1 36 4  14 o 3.258000       1.051000      241.7587      -144.9 
1 1 1 36 4  15 o 1.109000       1.035000      111.9273      133.8  
1 1 1 36 4  16 o 0.2503000      1.002000      52.34999      55.0   
1 1 1 36 4  17 o -0.1214000     0.9859000     167.3911      -31.5  
1 1 1 36 4  18 o 3.793000       1.007000      285.0896      -0.8   
1 1 1 36 4  19 o 0.6614000      1.009000      108.5284      -152.8 
1 1 1 36 4  20 o 4.044000       1.041000      389.5783      -56.0  
1 1 1 36 4  21 o 3.103000       1.025000      184.1753      130.3  
1 1 1 36 4  22 o 0.5802000      1.005000      65.75316      2.6    
1 1 1 36 4  23 o 1.866000       1.005000      157.4312      -12.3  
1 1 1 36 4  24 o 2.899000       1.018000      207.6624      44.3   
1 1 1 36 4  25 o 0.9746000      1.025000      38.38559      -43.9  
1 1 1 36 4  26 o 4.922000       1.123000      352.5034      -28.1  
1 1 1 36 4  27 o 0.3516000      1.157000      247.6571      137.3  
1 1 1 36 4  28 o -0.1979000     1.120000      170.7974      -53.0  
1 1 1 36 4  29 o -0.8062000     1.089000      103.7567      87.1   
1 1 1 36 4  30 o -0.6142000     1.054000      97.44968      26.1   
1 1 1 36 4  31 o 1.056000       1.079000      207.7780      108.8  
1 1 1 36 4  32 o 1.828000       1.095000      122.5081      37.0   
1 1 1 36 4  33 o 1.771000       1.169000      219.4437      -146.4 
1 1 1 36 4  34 o 2.423000       1.181000      231.6031      50.2   
1 1 1 36 4  35 o 3.421000       1.321000      228.0664      159.3  
1 1 1 36 4  36 o 0.1835000E-01  1.291000      126.0844      -66.2  
1 1 1 36 4  37 o -1.775000      1.315000      ?             ?      
1 1 1 36 4  38 o 0.4159000E-01  2.029000      ?             ?      
1 1 1 36 4  39 o 4.104000       2.205000      ?             ?      
1 1 1 36 4  40 o 0.9102000      1.346000      ?             ?      
1 1 1 36 4  41 o -0.2286000     1.494000      ?             ?      
1 1 1 36 4  42 o 0.7398000      1.418000      ?             ?      
1 1 1 36 4  43 o 0.9755000      1.231000      ?             ?      
1 1 1 36 4  44 o -0.6201000     1.175000      ?             ?      
1 1 1 36 4  45 o -0.9963000     1.160000      ?             ?      
1 1 1 36 4  46 o 1.526000       1.153000      ?             ?      
1 1 1 36 4  47 o -1.640000      1.072000      ?             ?      
1 1 1 36 4  48 o -0.5222000     1.122000      ?             ?      
1 1 1 36 4  49 o 0.3817000E-01  1.134000      ?             ?      
1 1 1 36 4  50 o -0.8290000     1.108000      ?             ?      
1 1 1 36 4  51 o 2.003000       1.304000      ?             ?      
1 1 1 36 4  52 o 1.918000       1.131000      ?             ?      
1 1 1 36 4  53 o 0.9536000      1.137000      ?             ?      
1 1 1 36 4  54 o 0.2771000E-01  1.135000      ?             ?      
1 1 1 36 4  55 o 1.685000       1.335000      ?             ?      
1 1 1 36 4  56 o -0.6247000     1.358000      ?             ?      
1 1 1 36 4  57 o 1.544000       1.361000      ?             ?      
1 1 1 36 4  58 o 4.644000       2.061000      ?             ?      
1 1 1 36 5  0  o 2.723000       1.424000      285.9069      -180.0 
1 1 1 36 5  1  o 0.7665000      0.9997000     172.9259      144.0  
1 1 1 36 5  2  o 2.363000       1.007000      150.1108      149.6  
1 1 1 36 5  3  o 2.902000       1.019000      286.1635      36.2   
1 1 1 36 5  4  o 1.419000       1.028000      214.4350      -162.3 
1 1 1 36 5  5  o 1.834000       1.042000      337.3733      -67.7  
1 1 1 36 5  6  o 0.6071000E-01  1.043000      179.9413      151.9  
1 1 1 36 5  7  o 1.950000       1.037000      130.6736      -149.0 
1 1 1 36 5  8  o 0.9358000      1.119000      17.94592      -108.6 
1 1 1 36 5  9  o 1.048000       1.110000      195.4628      -22.6  
1 1 1 36 5  10 o 1.273000       1.125000      104.3303      -96.6  
1 1 1 36 5  11 o 3.956000       1.214000      171.8211      -156.6 
1 1 1 36 5  12 o 6.581000       1.186000      335.9921      2.9    
1 1 1 36 5  13 o 1.081000       1.113000      103.5016      -46.5  
1 1 1 36 5  14 o 1.337000       1.049000      109.9616      -94.3  
1 1 1 36 5  15 o 1.325000       1.024000      242.2196      13.9   
1 1 1 36 5  16 o 0.7691000      1.012000      280.4121      143.2  
1 1 1 36 5  17 o -0.1584000     0.9905000     146.9688      103.3  
1 1 1 36 5  18 o 3.176000       1.020000      309.3298      59.6   
1 1 1 36 5  19 o 0.1523000      1.007000      192.4932      14.8   
1 1 1 36 5  20 o 0.5994000      1.011000      117.0090      -162.8 
1 1 1 36 5  21 o 1.989000       1.021000      250.6559      -33.1  
1 1 1 36 5  22 o 0.4146000      1.008000      103.1506      138.0  
1 1 1 36 5  23 o -1.151000      1.054000      147.6846      146.4  
1 1 1 36 5  24 o 1.785000       1.089000      203.6777      131.9  
1 1 1 36 5  25 o 3.884000       1.118000      274.1171      78.2   
1 1 1 36 5  26 o 0.5283000      1.114000      99.44472      9.4    
1 1 1 36 5  27 o -0.5332000     1.104000      132.1813      128.7  
1 1 1 36 5  28 o -1.845000      1.061000      108.3616      -20.6  
1 1 1 36 5  29 o 2.406000       1.057000      86.16220      -163.7 
1 1 1 36 5  30 o 0.7049000      1.057000      90.53614      77.5   
1 1 1 36 5  31 o 0.3145000      1.076000      139.4082      58.5   
1 1 1 36 5  32 o 1.589000       1.102000      170.6170      -38.4  
1 1 1 36 5  33 o 1.352000       1.159000      145.2331      20.7   
1 1 1 36 5  34 o 3.068000       1.185000      156.4552      -98.9  
1 1 1 36 5  35 o 0.2386000      1.274000      112.9469      66.2   
1 1 1 36 5  36 o 0.1512000      1.380000      21.84122      -119.7 
1 1 1 36 5  37 o -1.734000      1.311000      ?             ?      
1 1 1 36 5  38 o -1.870000      1.643000      ?             ?      
1 1 1 36 5  39 o -1.000000      1.429000      ?             ?      
1 1 1 36 5  40 o 0.9128000      1.416000      ?             ?      
1 1 1 36 5  41 o -0.8045000     1.302000      ?             ?      
1 1 1 36 5  42 o -1.228000      1.206000      ?             ?      
1 1 1 36 5  43 o 0.1583000E-01  1.247000      ?             ?      
1 1 1 36 5  44 o 1.033000       1.170000      ?             ?      
1 1 1 36 5  45 o 1.144000       1.091000      ?             ?      
1 1 1 36 5  46 o -0.9799000     1.071000      ?             ?      
1 1 1 36 5  47 o -0.3756000     1.079000      ?             ?      
1 1 1 36 5  48 o 0.5863000      1.137000      ?             ?      
1 1 1 36 5  49 o 1.338000       1.107000      ?             ?      
1 1 1 36 5  50 o -0.9385000     1.155000      ?             ?      
1 1 1 36 5  51 o 0.9918000      1.196000      ?             ?      
1 1 1 36 5  52 o 0.3222000      1.145000      ?             ?      
1 1 1 36 5  53 o 2.229000       1.146000      ?             ?      
1 1 1 36 5  54 o 0.6530000      1.160000      ?             ?      
1 1 1 36 5  55 o -0.9508000     1.331000      ?             ?      
1 1 1 36 5  56 o -3.241000      1.478000      ?             ?      
1 1 1 36 5  57 o 1.271000       1.351000      ?             ?      
1 1 1 36 5  58 o -0.7266000     1.470000      ?             ?      
1 1 1 36 6  0  o -0.2019000     1.369000      53.63385      -0.0   
1 1 1 36 6  1  o 0.3501000      0.9795000     175.5031      -20.5  
1 1 1 36 6  2  o 0.3641000      0.9872000     127.4804      140.1  
1 1 1 36 6  3  o -0.9119000     0.9950000     262.5470      4.4    
1 1 1 36 6  4  o -0.7601000     1.010000      62.35298      120.9  
1 1 1 36 6  5  o 0.8703000E-01  1.025000      78.52782      92.8   
1 1 1 36 6  6  o 0.4508000      1.033000      149.9207      102.9  
1 1 1 36 6  7  o -0.9623000     1.043000      149.7490      32.9   
1 1 1 36 6  8  o 0.7910000      1.076000      108.7313      -86.7  
1 1 1 36 6  9  o -0.3400000     1.088000      99.72381      164.4  
1 1 1 36 6  10 o 2.926000       1.153000      329.5276      154.1  
1 1 1 36 6  11 o 2.186000       1.168000      224.2765      75.4   
1 1 1 36 6  12 o -0.3725000     1.124000      101.9991      83.9   
1 1 1 36 6  13 o 0.2745000      1.097000      97.42892      113.3  
1 1 1 36 6  14 o -0.6335000     1.098000      51.41407      -149.3 
1 1 1 36 6  15 o 1.312000       1.013000      140.5090      -152.3 
1 1 1 36 6  16 o -1.147000      1.002000      103.9312      -138.5 
1 1 1 36 6  17 o 0.8954000      1.016000      170.7713      -36.4  
1 1 1 36 6  18 o 0.4533000      1.007000      132.5010      116.4  
1 1 1 36 6  19 o 2.507000       1.029000      288.3648      -115.5 
1 1 1 36 6  20 o 1.780000       1.022000      220.1854      9.4    
1 1 1 36 6  21 o -2.064000      1.055000      29.97137      170.0  
1 1 1 36 6  22 o 0.4391000      1.089000      122.7209      -19.8  
1 1 1 36 6  23 o 0.7958000E-01  1.048000      54.23980      124.4  
1 1 1 36 6  24 o -0.3264000     1.066000      184.0713      180.0  
1 1 1 36 6  25 o 0.4533000      1.065000      90.71693      -145.1 
1 1 1 36 6  26 o -0.8570000     1.066000      149.8552      -25.3  
1 1 1 36 6  27 o 0.6512000      1.058000      56.00717      29.8   
1 1 1 36 6  28 o 1.990000       1.067000      183.6538      -120.2 
1 1 1 36 6  29 o -0.6993000     1.051000      106.7237      136.4  
1 1 1 36 6  30 o 0.1491000      1.072000      17.03726      -31.2  
1 1 1 36 6  31 o 1.836000       1.090000      196.1284      85.7   
1 1 1 36 6  32 o 1.952000       1.135000      93.24040      -9.5   
1 1 1 36 6  33 o -0.5607000     1.152000      75.95993      118.2  
1 1 1 36 6  34 o 0.2096000      1.416000      120.0776      57.1   
1 1 1 36 6  35 o -2.142000      1.431000      97.05403      -167.6 
1 1 1 36 6  36 o 1.639000       1.391000      103.6201      172.7  
1 1 1 36 6  37 o -1.658000      2.033000      ?             ?      
1 1 1 36 6  38 o 0.8391000      1.400000      ?             ?      
1 1 1 36 6  39 o 0.7333000      1.375000      ?             ?      
1 1 1 36 6  40 o -1.817000      1.386000      ?             ?      
1 1 1 36 6  41 o 0.6326000      1.222000      ?             ?      
1 1 1 36 6  42 o 1.297000       1.203000      ?             ?      
1 1 1 36 6  43 o -1.656000      1.173000      ?             ?      
1 1 1 36 6  44 o -0.1519000     1.162000      ?             ?      
1 1 1 36 6  45 o 0.9064000E-02  1.135000      ?             ?      
1 1 1 36 6  46 o -0.2916000     1.062000      ?             ?      
1 1 1 36 6  47 o -0.4106000     1.064000      ?             ?      
1 1 1 36 6  48 o 0.2549000      1.069000      ?             ?      
1 1 1 36 6  49 o -0.4240000     1.084000      ?             ?      
1 1 1 36 6  50 o -0.7634000     1.155000      ?             ?      
1 1 1 36 6  51 o 0.7892000      1.180000      ?             ?      
1 1 1 36 6  52 o 0.5267000      1.144000      ?             ?      
1 1 1 36 6  53 o -0.6067000     1.212000      ?             ?      
1 1 1 36 6  54 o 1.377000       1.324000      ?             ?      
1 1 1 36 6  55 o 1.538000       1.333000      ?             ?      
1 1 1 36 6  56 o -0.1650000     1.330000      ?             ?      
1 1 1 36 6  57 o -0.6614000     1.422000      ?             ?      
1 1 1 36 6  58 o 0.3676000      1.291000      ?             ?      
1 1 1 36 7  0  o -0.5278000     1.351000      28.76867      -0.0   
1 1 1 36 7  1  o 1.453000       0.9734000     131.3571      169.5  
1 1 1 36 7  2  o -1.736000      0.9813000     101.2448      108.8  
1 1 1 36 7  3  o -0.2206000     0.9963000     117.4315      65.7   
1 1 1 36 7  4  o 0.8647000      1.018000      174.7465      -160.2 
1 1 1 36 7  5  o 1.505000       1.058000      240.3734      -133.8 
1 1 1 36 7  6  o -0.2833000     1.061000      229.3202      113.6  
1 1 1 36 7  7  o 1.227000       1.136000      278.9185      -93.6  
1 1 1 36 7  8  o -0.1688000     1.088000      51.49586      -138.4 
1 1 1 36 7  9  o -2.893000      1.078000      64.32725      -67.2  
1 1 1 36 7  10 o -0.2331000     1.091000      61.40171      27.3   
1 1 1 36 7  11 o -1.437000      1.120000      83.72073      -38.2  
1 1 1 36 7  12 o 2.318000       1.113000      78.99329      -10.5  
1 1 1 36 7  13 o 1.508000       1.081000      58.09352      -131.4 
1 1 1 36 7  14 o 0.8776000      1.082000      210.5551      -100.2 
1 1 1 36 7  15 o 0.3031000      1.014000      63.35596      71.8   
1 1 1 36 7  16 o -1.522000      0.9904000     77.52128      -81.3  
1 1 1 36 7  17 o 0.6562000      1.019000      156.8990      15.6   
1 1 1 36 7  18 o -1.309000      1.106000      179.6108      24.5   
1 1 1 36 7  19 o -0.5783000     1.074000      116.7353      87.1   
1 1 1 36 7  20 o -1.181000      1.041000      77.84601      -44.5  
1 1 1 36 7  21 o 0.5219000      1.094000      44.79022      39.5   
1 1 1 36 7  22 o -0.3813000     1.025000      53.42522      113.2  
1 1 1 36 7  23 o 0.7128000      1.002000      70.49654      108.8  
1 1 1 36 7  24 o -2.332000      1.031000      45.91537      67.5   
1 1 1 36 7  25 o 0.7697000      1.074000      142.3256      62.0   
1 1 1 36 7  26 o 0.3849000      1.081000      134.6717      -1.5   
1 1 1 36 7  27 o 1.542000       1.072000      96.26829      67.6   
1 1 1 36 7  28 o -0.2806000     1.050000      23.09308      165.5  
1 1 1 36 7  29 o 0.5327000      1.060000      84.85817      -136.1 
1 1 1 36 7  30 o 0.3031000      1.076000      81.11016      157.8  
1 1 1 36 7  31 o 0.1962000      1.132000      179.6836      68.0   
1 1 1 36 7  32 o -1.406000      1.182000      98.42331      150.6  
1 1 1 36 7  33 o -3.008000      1.190000      35.41312      -5.2   
1 1 1 36 7  34 o 1.326000       1.498000      150.2115      -117.8 
1 1 1 36 7  35 o -0.2135000     1.652000      53.81165      24.8   
1 1 1 36 7  36 o -1.485000      1.242000      86.08799      -141.3 
1 1 1 36 7  37 o 0.1566000      1.207000      ?             ?      
1 1 1 36 7  38 o 1.300000       1.183000      ?             ?      
1 1 1 36 7  39 o 2.137000       1.314000      ?             ?      
1 1 1 36 7  40 o -0.1054000     1.354000      ?             ?      
1 1 1 36 7  41 o -1.124000      1.194000      ?             ?      
1 1 1 36 7  42 o 0.1181000      1.281000      ?             ?      
1 1 1 36 7  43 o 0.1776000      1.150000      ?             ?      
1 1 1 36 7  44 o 0.5135000      1.213000      ?             ?      
1 1 1 36 7  45 o -1.400000      1.132000      ?             ?      
1 1 1 36 7  46 o 1.330000       1.085000      ?             ?      
1 1 1 36 7  47 o 1.957000       1.064000      ?             ?      
1 1 1 36 7  48 o 1.122000       1.082000      ?             ?      
1 1 1 36 7  49 o 1.087000       1.090000      ?             ?      
1 1 1 36 7  50 o 0.9176000      1.090000      ?             ?      
1 1 1 36 7  51 o 0.1453000      1.116000      ?             ?      
1 1 1 36 7  52 o 0.5029000      1.185000      ?             ?      
1 1 1 36 7  53 o -2.148000      1.210000      ?             ?      
1 1 1 36 7  54 o 0.8173000      1.343000      ?             ?      
1 1 1 36 7  55 o 0.5200000      1.388000      ?             ?      
1 1 1 36 7  56 o -0.5184000     1.326000      ?             ?      
1 1 1 36 7  57 o -3.083000      1.254000      ?             ?      
1 1 1 36 7  58 o -1.031000      1.688000      ?             ?      
1 1 1 36 8  0  o -0.6587000     1.360000      31.20656      -180.0 
1 1 1 36 8  1  o -1.776000      0.9676000     68.41887      -175.1 
1 1 1 36 8  2  o -2.068000      0.9838000     96.00150      -45.4  
1 1 1 36 8  3  o -1.126000      1.001000      43.34506      -69.2  
1 1 1 36 8  4  o -1.385000      1.012000      67.81216      177.3  
1 1 1 36 8  5  o -1.074000      1.048000      34.67656      116.0  
1 1 1 36 8  6  o 1.408000       1.074000      149.9016      -6.5   
1 1 1 36 8  7  o -1.888000      1.082000      30.26362      97.0   
1 1 1 36 8  8  o 0.2789000      1.072000      85.27467      -30.8  
1 1 1 36 8  9  o -1.935000      1.090000      44.25652      61.6   
1 1 1 36 8  10 o 0.5418000      1.064000      106.4129      -116.8 
1 1 1 36 8  11 o -0.9913000     1.052000      80.35202      98.9   
1 1 1 36 8  12 o -1.371000      1.086000      64.11441      15.6   
1 1 1 36 8  13 o -1.250000      1.071000      46.10207      -14.6  
1 1 1 36 8  14 o 0.6892000      1.065000      101.6139      -46.5  
1 1 1 36 8  15 f -0.2707000     1.056000      71.39432      18.8   
1 1 1 36 8  16 o -0.4107000     1.077000      32.91774      112.5  
1 1 1 36 8  17 o 0.7725000      1.082000      78.81143      48.5   
1 1 1 36 8  18 o 0.7645000      1.101000      100.2975      -137.4 
1 1 1 36 8  19 o -0.5868000     1.039000      19.15224      15.6   
1 1 1 36 8  20 o 1.011000       1.002000      87.86785      -139.9 
1 1 1 36 8  21 o 0.4285000      0.9829000     49.67830      -0.9   
1 1 1 36 8  22 o -0.8376000E-01 1.046000      83.64703      119.7  
1 1 1 36 8  23 o 1.094000       1.031000      149.3531      146.3  
1 1 1 36 8  24 o 0.4464000      1.081000      122.2263      177.3  
1 1 1 36 8  25 o 0.6176000      1.084000      69.56762      -89.7  
1 1 1 36 8  26 o 0.4485000      1.085000      7.191403      -131.7 
1 1 1 36 8  27 o -0.5897000     1.069000      84.76481      96.0   
1 1 1 36 8  28 o 0.7237000      1.064000      192.0867      -115.5 
1 1 1 36 8  29 o -1.745000      1.102000      39.93827      -32.4  
1 1 1 36 8  30 o -0.5844000     1.133000      47.48439      134.8  
1 1 1 36 8  31 o -1.837000      1.153000      92.84978      -172.9 
1 1 1 36 8  32 o 0.1415000      1.430000      141.1281      -62.9  
1 1 1 36 8  33 o -1.029000      1.177000      47.58727      109.9  
1 1 1 36 8  34 o -0.3111000E-01 1.281000      71.18649      33.6   
1 1 1 36 8  35 o 0.1599000      1.360000      35.57104      -89.3  
1 1 1 36 8  36 o 2.492000       1.280000      ?             ?      
1 1 1 36 8  37 o 0.6537000      1.197000      ?             ?      
1 1 1 36 8  38 o 0.8624000E-01  1.083000      ?             ?      
1 1 1 36 8  39 o -0.6466000     1.284000      ?             ?      
1 1 1 36 8  40 o -0.2341000     1.288000      ?             ?      
1 1 1 36 8  41 o -0.4452000     1.125000      ?             ?      
1 1 1 36 8  42 o 0.7036000E-01  1.170000      ?             ?      
1 1 1 36 8  43 o 1.731000       1.153000      ?             ?      
1 1 1 36 8  44 o -1.077000      1.164000      ?             ?      
1 1 1 36 8  45 o -2.483000      1.124000      ?             ?      
1 1 1 36 8  46 o -0.9274000     1.131000      ?             ?      
1 1 1 36 8  47 o -0.2737000     1.070000      ?             ?      
1 1 1 36 8  48 o 1.160000       1.075000      ?             ?      
1 1 1 36 8  49 o -1.445000      1.076000      ?             ?      
1 1 1 36 8  50 o -0.5880000     1.086000      ?             ?      
1 1 1 36 8  51 o -0.2097000     1.105000      ?             ?      
1 1 1 36 8  52 o -0.9154000     1.106000      ?             ?      
1 1 1 36 8  53 o 0.6880000      1.149000      ?             ?      
1 1 1 36 8  54 o 2.312000       1.601000      ?             ?      
1 1 1 36 8  55 o 0.7853000      1.408000      ?             ?      
1 1 1 36 8  56 o -1.515000      1.387000      ?             ?      
1 1 1 36 8  57 o -0.6135000     1.328000      ?             ?      
1 1 1 36 8  58 o -0.2416000     1.261000      ?             ?      
1 1 1 36 9  0  o 0.4725000E-01  1.368000      22.33083      -0.0   
1 1 1 36 9  1  o 3.793000       1.378000      94.30109      26.0   
1 1 1 36 9  2  o -0.8343000     0.9821000     39.28544      10.9   
1 1 1 36 9  3  o -1.011000      0.9898000     42.90289      -128.0 
1 1 1 36 9  4  o -0.3345000     1.030000      90.14144      -121.3 
1 1 1 36 9  5  o -1.302000      1.032000      44.41725      164.5  
1 1 1 36 9  6  o 0.6998000      1.110000      42.71591      152.7  
1 1 1 36 9  7  o -0.5594000     1.062000      36.72525      51.3   
1 1 1 36 9  8  o -0.2601000     1.059000      10.97571      50.0   
1 1 1 36 9  9  o 0.6433000      1.048000      78.56577      38.1   
1 1 1 36 9  10 o 0.4717000E-02  1.047000      62.98814      -125.8 
1 1 1 36 9  11 o 0.1320000      1.088000      74.16080      -27.1  
1 1 1 36 9  12 o 1.032000       1.088000      22.96091      -63.7  
1 1 1 36 9  13 o 0.4441000      1.083000      35.07607      -32.3  
1 1 1 36 9  14 o -0.5699000     1.075000      83.75842      -143.8 
1 1 1 36 9  15 o -0.2422000     1.093000      65.71480      47.4   
1 1 1 36 9  16 o -0.1674000     1.183000      38.03399      12.7   
1 1 1 36 9  17 o -0.6663000     1.040000      43.40394      161.7  
1 1 1 36 9  18 o -0.4667000E-01 1.012000      68.35977      -21.6  
1 1 1 36 9  19 o -1.103000      1.005000      50.51988      75.6   
1 1 1 36 9  20 o -0.6866000     0.9976000     76.69539      -122.8 
1 1 1 36 9  21 o -0.9634000     0.9922000     75.53092      -67.9  
1 1 1 36 9  22 o -0.4385000     1.013000      62.16193      62.7   
1 1 1 36 9  23 o -2.340000      1.051000      52.99142      -48.2  
1 1 1 36 9  24 o -0.5625000E-01 1.086000      68.12486      -74.4  
1 1 1 36 9  25 o -1.482000      1.080000      50.49931      52.1   
1 1 1 36 9  26 o -1.460000      1.076000      105.5967      78.0   
1 1 1 36 9  27 o -1.530000      1.114000      60.44427      45.8   
1 1 1 36 9  28 o -1.864000      1.104000      71.98755      -142.8 
1 1 1 36 9  29 o 0.8629000      1.278000      20.41652      -48.4  
1 1 1 36 9  30 o -0.5088000     1.401000      67.21709      114.6  
1 1 1 36 9  31 o -2.950000      1.135000      76.66140      88.2   
1 1 1 36 9  32 o -0.6957000E-02 1.136000      83.18820      -109.4 
1 1 1 36 9  33 o -0.5042000     1.259000      66.49578      -12.6  
1 1 1 36 9  34 o 0.1385000      1.283000      25.75113      -173.8 
1 1 1 36 9  35 o -0.1243000     1.231000      38.99591      10.0   
1 1 1 36 9  36 o 1.048000       1.189000      ?             ?      
1 1 1 36 9  37 o -0.7090000     1.123000      ?             ?      
1 1 1 36 9  38 o -0.4677000     1.058000      ?             ?      
1 1 1 36 9  39 o -1.059000      1.288000      ?             ?      
1 1 1 36 9  40 o -0.4492000E-01 1.283000      ?             ?      
1 1 1 36 9  41 o 1.074000       1.330000      ?             ?      
1 1 1 36 9  42 o -1.167000      1.105000      ?             ?      
1 1 1 36 9  43 o -1.539000      1.143000      ?             ?      
1 1 1 36 9  44 o 0.4563000      1.711000      ?             ?      
1 1 1 36 9  45 o -0.5589000     1.185000      ?             ?      
1 1 1 36 9  46 o -0.2895000E-01 1.111000      ?             ?      
1 1 1 36 9  47 o -0.1876000     1.063000      ?             ?      
1 1 1 36 9  48 o -0.6680000     1.069000      ?             ?      
1 1 1 36 9  49 o -0.2586000     1.075000      ?             ?      
1 1 1 36 9  50 o 1.339000       1.097000      ?             ?      
1 1 1 36 9  51 o -1.906000      1.112000      ?             ?      
1 1 1 36 9  52 o 0.5774000      1.120000      ?             ?      
1 1 1 36 9  53 o 1.488000       1.263000      ?             ?      
1 1 1 36 9  54 o -0.7598000     1.298000      ?             ?      
1 1 1 36 9  55 o 0.2357000      1.291000      ?             ?      
1 1 1 36 9  56 o 1.216000       1.318000      ?             ?      
1 1 1 36 9  57 o 0.8171000      1.269000      ?             ?      
1 1 1 36 9  58 o 1.598000       1.286000      ?             ?      
1 1 1 36 10 0  o 0.7940000      1.371000      24.79544      0.0    
1 1 1 36 10 1  o 0.4500000      0.9760000     24.58686      61.5   
1 1 1 36 10 2  o 0.2139000E-01  0.9880000     40.68834      -67.4  
1 1 1 36 10 3  o 0.2249000      0.9946000     54.61784      163.0  
1 1 1 36 10 4  o 0.6442000      1.019000      76.83151      34.8   
1 1 1 36 10 5  o -0.7945000     1.027000      61.59190      -12.8  
1 1 1 36 10 6  o -1.882000      1.060000      19.79316      66.9   
1 1 1 36 10 7  o 0.8016000      1.050000      33.10543      167.5  
1 1 1 36 10 8  o 1.023000       1.120000      68.83197      -140.0 
1 1 1 36 10 9  o -1.040000      1.069000      68.57565      -70.7  
1 1 1 36 10 10 o 0.1847000E-01  1.025000      48.84084      115.6  
1 1 1 36 10 11 o -0.2605000     1.029000      41.49100      27.8   
1 1 1 36 10 12 o -2.031000      1.119000      77.10648      -63.2  
1 1 1 36 10 13 o -3.052000      1.141000      22.11470      1.8    
1 1 1 36 10 14 o -1.969000      1.091000      35.33109      -128.5 
1 1 1 36 10 15 o -0.5711000     1.061000      31.91041      48.2   
1 1 1 36 10 16 o 0.2065000      1.057000      31.97680      119.7  
1 1 1 36 10 17 o 0.2008000      1.084000      26.59227      16.9   
1 1 1 36 10 18 o -0.6058000     0.9962000     17.72127      -122.6 
1 1 1 36 10 19 o 0.2378000      1.016000      31.21532      52.6   
1 1 1 36 10 20 o -0.3406000E-01 1.004000      83.23103      -91.7  
1 1 1 36 10 21 o -2.239000      0.9887000     54.79984      -30.7  
1 1 1 36 10 22 o 0.6199000      1.014000      27.62694      43.5   
1 1 1 36 10 23 o 0.1629000      1.071000      104.6238      157.7  
1 1 1 36 10 24 o 1.149000       1.144000      35.84395      -61.7  
1 1 1 36 10 25 o -2.046000      1.126000      32.40494      -3.8   
1 1 1 36 10 26 o -2.279000      1.074000      90.52003      160.9  
1 1 1 36 10 27 o -0.4936000     1.254000      60.43421      -153.5 
1 1 1 36 10 28 o -0.4269000     1.072000      12.34344      -66.9  
1 1 1 36 10 29 o -1.932000      1.064000      27.46732      -154.7 
1 1 1 36 10 30 o 0.7087000      1.114000      94.42855      177.6  
1 1 1 36 10 31 o 0.7822000      1.135000      72.05683      -147.8 
1 1 1 36 10 32 o 0.8545000      1.139000      71.36444      9.0    
1 1 1 36 10 33 o 1.543000       1.286000      8.194836      144.1  
1 1 1 36 10 34 o -0.5818000     1.288000      11.62913      15.0   
1 1 1 36 10 35 o 0.2932000      1.253000      82.94568      -83.1  
1 1 1 36 10 36 o -1.362000      1.158000      ?             ?      
1 1 1 36 10 37 o -1.273000      1.048000      ?             ?      
1 1 1 36 10 38 o 0.7211000      1.064000      ?             ?      
1 1 1 36 10 39 o 0.1791000      1.293000      ?             ?      
1 1 1 36 10 40 o -1.652000      1.272000      ?             ?      
1 1 1 36 10 41 o -0.5572000E-01 1.327000      ?             ?      
1 1 1 36 10 42 o 0.1951000      1.094000      ?             ?      
1 1 1 36 10 43 o -0.6899000     1.094000      ?             ?      
1 1 1 36 10 44 o 0.4078000E-01  1.108000      ?             ?      
1 1 1 36 10 45 o -1.638000      1.124000      ?             ?      
1 1 1 36 10 46 o 0.3692000      1.115000      ?             ?      
1 1 1 36 10 47 o -1.755000      1.129000      ?             ?      
1 1 1 36 10 48 o -0.9813000     1.075000      ?             ?      
1 1 1 36 10 49 o -0.1944000     1.092000      ?             ?      
1 1 1 36 10 50 o 0.4579000      1.115000      ?             ?      
1 1 1 36 10 51 o 0.1398000      1.116000      ?             ?      
1 1 1 36 10 52 o 0.2508000      1.111000      ?             ?      
1 1 1 36 10 53 o -0.2995000     1.244000      ?             ?      
1 1 1 36 10 54 o 1.508000       1.413000      ?             ?      
1 1 1 36 10 55 o -1.928000      1.378000      ?             ?      
1 1 1 36 10 56 o -0.1809000     1.249000      ?             ?      
1 1 1 36 10 57 o -0.8322000     1.182000      ?             ?      
1 1 1 36 11 0  o 0.8295000      1.374000      8.587829      180.0  
1 1 1 36 11 1  o -1.493000      0.9777000     67.79460      -13.4  
1 1 1 36 11 2  o 0.5671000      0.9806000     94.37458      -116.9 
1 1 1 36 11 3  o -1.207000      1.009000      58.63251      113.3  
1 1 1 36 11 4  o 0.7527000      1.006000      24.92635      -77.7  
1 1 1 36 11 5  o 2.551000       1.040000      54.17337      43.1   
1 1 1 36 11 6  o -0.3743000     1.130000      25.16930      -157.4 
1 1 1 36 11 7  o -1.940000      1.136000      55.51964      130.1  
1 1 1 36 11 8  o -1.653000      1.030000      16.14097      81.8   
1 1 1 36 11 9  o -2.376000      1.012000      59.49735      -98.7  
1 1 1 36 11 10 o -1.274000      1.050000      43.53561      -57.0  
1 1 1 36 11 11 f -1.459000      1.045000      34.71561      164.0  
1 1 1 36 11 12 o -0.2244000E-01 1.031000      29.77501      -133.2 
1 1 1 36 11 13 o -1.141000      1.056000      32.16222      -175.0 
1 1 1 36 11 14 o -1.494000      1.051000      20.53099      -32.2  
1 1 1 36 11 15 o -2.041000      1.059000      29.93023      -99.3  
1 1 1 36 11 16 o 0.2678000      1.063000      14.68957      117.3  
1 1 1 36 11 17 o -2.330000      1.066000      65.06625      71.8   
1 1 1 36 11 18 o -0.4627000     1.008000      46.82850      -87.8  
1 1 1 36 11 19 o 1.853000       1.109000      21.94699      19.1   
1 1 1 36 11 20 o -0.5071000E-01 0.9827000     17.10098      83.0   
1 1 1 36 11 21 o -0.5097000E-01 0.9971000     82.53860      -18.7  
1 1 1 36 11 22 o 0.2240000      1.072000      44.53251      107.7  
1 1 1 36 11 23 o -0.7434000     1.124000      43.15623      139.1  
1 1 1 36 11 24 o 1.901000       1.258000      78.97169      -22.9  
1 1 1 36 11 25 o 1.122000       1.242000      16.11644      -31.3  
1 1 1 36 11 26 o 1.391000       1.054000      28.64222      178.6  
1 1 1 36 11 27 o -1.289000      1.047000      19.04855      -88.3  
1 1 1 36 11 28 o 1.098000       1.056000      46.42931      -6.2   
1 1 1 36 11 29 o -1.320000      1.068000      56.05970      122.9  
1 1 1 36 11 30 o 0.9403000      1.110000      29.19143      -69.0  
1 1 1 36 11 31 o -0.1985000     1.109000      10.63807      -44.9  
1 1 1 36 11 32 o -0.2480000     1.228000      84.10637      -99.9  
1 1 1 36 11 33 o 0.7405000E-01  1.257000      19.59880      175.6  
1 1 1 36 11 34 o 0.6928000      1.416000      35.61505      10.7   
1 1 1 36 11 35 o -0.2354000     1.168000      ?             ?      
1 1 1 36 11 36 o -1.591000      1.094000      ?             ?      
1 1 1 36 11 37 o -1.739000      1.038000      ?             ?      
1 1 1 36 11 38 o -0.7168000     1.048000      ?             ?      
1 1 1 36 11 39 o -0.8553000     1.051000      ?             ?      
1 1 1 36 11 40 o 0.2337000      1.284000      ?             ?      
1 1 1 36 11 41 o -0.3152000     1.321000      ?             ?      
1 1 1 36 11 42 o -0.9728000     1.093000      ?             ?      
1 1 1 36 11 43 o 1.246000       1.084000      ?             ?      
1 1 1 36 11 44 o 0.6662000E-01  1.080000      ?             ?      
1 1 1 36 11 45 o -0.7089000     1.122000      ?             ?      
1 1 1 36 11 46 o -1.735000      1.171000      ?             ?      
1 1 1 36 11 47 o 0.2332000E-01  1.120000      ?             ?      
1 1 1 36 11 48 o 1.551000       1.142000      ?             ?      
1 1 1 36 11 49 o 0.4550000E-01  1.089000      ?             ?      
1 1 1 36 11 50 o -1.669000      1.100000      ?             ?      
1 1 1 36 11 51 o -0.8668000E-01 1.122000      ?             ?      
1 1 1 36 11 52 o -1.772000      1.136000      ?             ?      
1 1 1 36 11 53 o 1.503000       1.301000      ?             ?      
1 1 1 36 11 54 o -0.5668000     1.286000      ?             ?      
1 1 1 36 11 55 o 0.1594000      1.299000      ?             ?      
1 1 1 36 11 56 o -1.850000      1.258000      ?             ?      
1 1 1 36 11 57 o -0.6075000     1.202000      ?             ?      
1 1 1 36 12 0  o -0.7611000     1.370000      30.15203      0.0    
1 1 1 36 12 1  o -0.7468000     0.9705000     102.2489      -172.0 
1 1 1 36 12 2  o -1.151000      0.9955000     38.62371      -79.7  
1 1 1 36 12 3  o -1.841000      1.027000      143.8510      -25.9  
1 1 1 36 12 4  o -1.480000      1.024000      130.6742      77.7   
1 1 1 36 12 5  o 0.6520000E-01  1.079000      59.71480      -38.1  
1 1 1 36 12 6  o -0.9989000     1.049000      61.87202      -58.7  
1 1 1 36 12 7  o -1.008000      1.079000      105.0672      16.8   
1 1 1 36 12 8  o -1.578000      1.093000      73.77439      108.1  
1 1 1 36 12 9  o 0.1430000      1.026000      51.69151      40.5   
1 1 1 36 12 10 o -1.321000      0.9919000     69.01997      96.6   
1 1 1 36 12 11 o -1.407000      1.001000      36.84613      -24.7  
1 1 1 36 12 12 o -1.070000      0.9940000     89.02114      -142.5 
1 1 1 36 12 13 o -0.6114000E-01 1.056000      99.98489      55.3   
1 1 1 36 12 14 o -1.223000      1.064000      85.39236      -39.2  
1 1 1 36 12 15 o -0.7115000     1.069000      41.24144      170.7  
1 1 1 36 12 16 o 0.1829000E-01  1.079000      55.69888      90.2   
1 1 1 36 12 17 o -0.8306000     1.065000      28.62808      87.1   
1 1 1 36 12 18 o -0.8143000     1.114000      49.70782      37.6   
1 1 1 36 12 19 o -0.4160000     1.025000      23.90100      -104.7 
1 1 1 36 12 20 o 0.2592000      1.012000      41.47038      114.7  
1 1 1 36 12 21 o -0.8206000     0.9887000     15.13238      35.5   
1 1 1 36 12 22 o -1.578000      1.164000      14.07350      -9.6   
1 1 1 36 12 23 o 1.608000       1.219000      10.15667      -41.5  
1 1 1 36 12 24 o 0.5585000      1.070000      74.41052      34.0   
1 1 1 36 12 25 o 0.5096000      1.046000      15.83048      107.2  
1 1 1 36 12 26 o -1.459000      1.037000      64.54794      -70.0  
1 1 1 36 12 27 o -0.3350000     1.044000      75.70960      118.3  
1 1 1 36 12 28 o -0.1906000     1.054000      21.43736      61.6   
1 1 1 36 12 29 o 0.6099000E-01  1.094000      54.64499      -116.9 
1 1 1 36 12 30 o -0.4930000     1.094000      86.79439      -85.8  
1 1 1 36 12 31 o -1.334000      1.096000      23.87469      37.7   
1 1 1 36 12 32 o -0.9901000     1.230000      61.17570      65.1   
1 1 1 36 12 33 o -1.132000      1.247000      22.31823      -36.7  
1 1 1 36 12 34 o -1.399000      1.201000      2.043151      -109.1 
1 1 1 36 12 35 o 0.4179000      1.198000      ?             ?      
1 1 1 36 12 36 o -0.5376000     1.057000      ?             ?      
1 1 1 36 12 37 o -0.3867000     1.061000      ?             ?      
1 1 1 36 12 38 o -0.7878000     1.043000      ?             ?      
1 1 1 36 12 39 o 0.1526000      1.046000      ?             ?      
1 1 1 36 12 40 o 2.101000       1.289000      ?             ?      
1 1 1 36 12 41 o -0.5795000E-01 1.260000      ?             ?      
1 1 1 36 12 42 o 1.822000       1.312000      ?             ?      
1 1 1 36 12 43 o -1.566000      1.078000      ?             ?      
1 1 1 36 12 44 o -0.4035000E-01 1.018000      ?             ?      
1 1 1 36 12 45 o 0.2799000      1.079000      ?             ?      
1 1 1 36 12 46 o -0.9454000     1.121000      ?             ?      
1 1 1 36 12 47 o -0.3845000     1.121000      ?             ?      
1 1 1 36 12 48 o -1.493000      1.127000      ?             ?      
1 1 1 36 12 49 o -1.253000      1.087000      ?             ?      
1 1 1 36 12 50 o -0.5252000     1.104000      ?             ?      
1 1 1 36 12 51 o -0.6325000     1.101000      ?             ?      
1 1 1 36 12 52 o -2.340000      1.217000      ?             ?      
1 1 1 36 12 53 o -0.2969000     1.286000      ?             ?      
1 1 1 36 12 54 o 0.4851000      1.347000      ?             ?      
1 1 1 36 12 55 o -2.726000      1.637000      ?             ?      
1 1 1 36 12 56 o -0.1949000     1.185000      ?             ?      
1 1 1 36 12 57 o 0.4893000      1.651000      ?             ?      
1 1 1 36 13 0  o 0.5870000      1.374000      119.1581      0.0    
1 1 1 36 13 1  o -0.2122000     0.9905000     86.24258      -77.4  
1 1 1 36 13 2  o 1.529000       1.014000      16.66315      6.8    
1 1 1 36 13 3  o -2.466000      0.9800000     115.4268      84.5   
1 1 1 36 13 4  o -0.9137000     1.038000      58.31626      61.6   
1 1 1 36 13 5  o 0.7519000E-01  1.117000      102.5359      136.6  
1 1 1 36 13 6  o 0.5482000      1.074000      125.3509      144.3  
1 1 1 36 13 7  o 0.2084000      1.018000      48.43561      107.4  
1 1 1 36 13 8  o -0.5621000     0.9930000     49.72274      65.1   
1 1 1 36 13 9  o -1.359000      0.9846000     38.27651      159.7  
1 1 1 36 13 10 o -1.700000      0.9967000     78.70289      109.9  
1 1 1 36 13 11 o -1.079000      1.003000      8.660843      149.2  
1 1 1 36 13 12 o 1.084000       1.016000      110.4038      136.5  
1 1 1 36 13 13 o 0.7891000      1.079000      61.79387      -34.4  
1 1 1 36 13 14 o -1.346000      1.078000      16.96906      -57.4  
1 1 1 36 13 15 o 0.5274000      1.124000      76.07016      140.0  
1 1 1 36 13 16 o 0.2583000      1.126000      18.54868      151.2  
1 1 1 36 13 17 o -0.8937000E-01 1.102000      39.75042      144.1  
1 1 1 36 13 18 o -0.1248000     1.079000      32.32479      31.0   
1 1 1 36 13 19 o -1.063000      1.331000      83.64163      82.8   
1 1 1 36 13 20 o -0.4308000     1.104000      68.58148      36.6   
1 1 1 36 13 21 o 2.204000       1.027000      53.82871      144.6  
1 1 1 36 13 22 o -0.8189000     1.048000      43.29971      160.0  
1 1 1 36 13 23 o -0.9121000     1.058000      96.25405      60.4   
1 1 1 36 13 24 o -1.452000      1.212000      24.91755      2.9    
1 1 1 36 13 25 o 0.4610000      1.038000      45.98335      177.1  
1 1 1 36 13 26 o 0.1570000      1.034000      91.94225      1.5    
1 1 1 36 13 27 o -1.760000      1.041000      7.998258      -78.5  
1 1 1 36 13 28 o -0.5548000     1.065000      106.2680      115.1  
1 1 1 36 13 29 o 1.802000       1.097000      94.20279      17.2   
1 1 1 36 13 30 o 1.280000       1.096000      94.09051      -125.4 
1 1 1 36 13 31 o 0.6667000      1.167000      40.46401      -12.2  
1 1 1 36 13 32 f 0.8788000      1.266000      66.55436      168.7  
1 1 1 36 13 33 o 0.2869000      1.418000      33.31122      68.9   
1 1 1 36 13 34 o -1.635000      1.192000      ?             ?      
1 1 1 36 13 35 o -0.1671000     1.180000      ?             ?      
1 1 1 36 13 36 o -1.278000      1.074000      ?             ?      
1 1 1 36 13 37 o 0.8883000      1.046000      ?             ?      
1 1 1 36 13 38 o 0.3402000      1.025000      ?             ?      
1 1 1 36 13 39 o 1.069000       1.026000      ?             ?      
1 1 1 36 13 40 o -2.538000      1.549000      ?             ?      
1 1 1 36 13 41 o -0.7266000     1.256000      ?             ?      
1 1 1 36 13 42 o -1.546000      1.279000      ?             ?      
1 1 1 36 13 43 o -1.770000      1.064000      ?             ?      
1 1 1 36 13 44 o 0.1892000      1.088000      ?             ?      
1 1 1 36 13 45 o -1.116000      1.077000      ?             ?      
1 1 1 36 13 46 o -1.405000      1.072000      ?             ?      
1 1 1 36 13 47 o -0.8929000     1.191000      ?             ?      
1 1 1 36 13 48 o 0.7176000      1.136000      ?             ?      
1 1 1 36 13 49 o -0.5139000     1.145000      ?             ?      
1 1 1 36 13 50 o 0.6296000      1.090000      ?             ?      
1 1 1 36 13 51 o 0.5749000      1.099000      ?             ?      
1 1 1 36 13 52 o 1.442000       1.272000      ?             ?      
1 1 1 36 13 53 o -0.2530000     1.253000      ?             ?      
1 1 1 36 13 54 o 0.7708000      1.739000      ?             ?      
1 1 1 36 13 55 o -1.427000      1.227000      ?             ?      
1 1 1 36 13 56 o 0.6065000      1.192000      ?             ?      
1 1 1 36 13 57 o -0.8038000     1.379000      ?             ?      
1 1 1 36 14 0  o 0.2334000      1.341000      43.45598      0.0    
1 1 1 36 14 1  o 0.6289000      1.005000      97.12968      123.2  
1 1 1 36 14 2  o 0.8310000      1.075000      190.9319      -7.9   
1 1 1 36 14 3  o -0.5865000     1.093000      137.0744      50.3   
1 1 1 36 14 4  o 1.607000       1.099000      204.8967      132.3  
1 1 1 36 14 5  o -0.5419000     1.021000      15.07880      -97.7  
1 1 1 36 14 6  o 0.6665000      1.039000      40.40900      2.8    
1 1 1 36 14 7  o -0.8161000     1.011000      117.4287      37.0   
1 1 1 36 14 8  o -0.5847000     0.9986000     129.3017      -100.1 
1 1 1 36 14 9  o -0.3388000     1.002000      56.63163      -36.9  
1 1 1 36 14 10 o -1.728000      1.006000      60.89290      -175.8 
1 1 1 36 14 11 o -0.7305000     1.018000      74.68144      -34.4  
1 1 1 36 14 12 o 1.239000       1.016000      95.38074      122.4  
1 1 1 36 14 13 o 1.109000       1.032000      31.36556      16.3   
1 1 1 36 14 14 o -1.174000      1.158000      31.14500      -2.1   
1 1 1 36 14 15 o -1.687000      1.146000      110.8546      123.1  
1 1 1 36 14 16 o 1.409000       1.124000      39.00978      10.8   
1 1 1 36 14 17 o -0.9827000     1.332000      52.51789      69.4   
1 1 1 36 14 18 o -0.2263000     1.291000      56.58281      -92.3  
1 1 1 36 14 19 o -0.8173000     1.101000      160.2600      128.1  
1 1 1 36 14 20 o -1.628000      1.139000      66.41183      40.3   
1 1 1 36 14 21 o -0.6761000     1.034000      30.51030      70.8   
1 1 1 36 14 22 o -1.870000      1.056000      129.3087      -130.2 
1 1 1 36 14 23 o -0.2665000     1.066000      63.94997      -103.3 
1 1 1 36 14 24 o 1.932000       1.036000      68.35366      74.1   
1 1 1 36 14 25 o -0.5009000     1.033000      83.79959      82.2   
1 1 1 36 14 26 o -0.3446000     1.038000      38.78287      5.8    
1 1 1 36 14 27 o 0.7098000      1.070000      180.7288      152.2  
1 1 1 36 14 28 o -0.4386000     1.112000      32.88173      -78.4  
1 1 1 36 14 29 o 1.036000       1.120000      72.13390      -113.8 
1 1 1 36 14 30 o -0.1930000     1.125000      43.96660      54.9   
1 1 1 36 14 31 o 0.1958000E-01  1.284000      170.0316      -98.1  
1 1 1 36 14 32 o 0.5329000      1.278000      111.9175      55.2   
1 1 1 36 14 33 o -1.189000      1.358000      39.68478      -36.9  
1 1 1 36 14 34 f 1.268000       1.158000      ?             ?      
1 1 1 36 14 35 o -1.144000      1.070000      ?             ?      
1 1 1 36 14 36 o -0.4069000     1.067000      ?             ?      
1 1 1 36 14 37 o -0.2125000     1.030000      ?             ?      
1 1 1 36 14 38 o -0.9365000E-01 1.015000      ?             ?      
1 1 1 36 14 39 o -0.1255000     1.009000      ?             ?      
1 1 1 36 14 40 o 0.7220000      1.041000      ?             ?      
1 1 1 36 14 41 o -0.9477000     1.234000      ?             ?      
1 1 1 36 14 42 o 0.4823000      1.275000      ?             ?      
1 1 1 36 14 43 o 1.347000       1.076000      ?             ?      
1 1 1 36 14 44 o -0.7028000     1.075000      ?             ?      
1 1 1 36 14 45 o -1.048000      1.023000      ?             ?      
1 1 1 36 14 46 o -1.865000      1.070000      ?             ?      
1 1 1 36 14 47 o -0.6953000     1.123000      ?             ?      
1 1 1 36 14 48 o 0.9688000      1.135000      ?             ?      
1 1 1 36 14 49 o 1.610000       1.149000      ?             ?      
1 1 1 36 14 50 o 0.4535000      1.088000      ?             ?      
1 1 1 36 14 51 o 0.6292000      1.223000      ?             ?      
1 1 1 36 14 52 o -0.5885000     1.269000      ?             ?      
1 1 1 36 14 53 o 0.5051000      1.303000      ?             ?      
1 1 1 36 14 54 o 0.3847000      1.258000      ?             ?      
1 1 1 36 14 55 o -0.1834000     1.175000      ?             ?      
1 1 1 36 14 56 o -1.931000      1.648000      ?             ?      
1 1 1 36 15 0  o 1.847000       1.614000      19.29215      180.0  
1 1 1 36 15 1  o -0.1857000     1.048000      72.15581      23.9   
1 1 1 36 15 2  o 1.780000       0.9574000     107.5281      158.3  
1 1 1 36 15 3  o 0.5556000      0.9728000     122.1092      45.6   
1 1 1 36 15 4  o 2.073000       1.054000      174.9429      99.4   
1 1 1 36 15 5  o 4.893000       1.102000      254.3952      177.6  
1 1 1 36 15 6  o 0.1550000      1.041000      96.93147      173.0  
1 1 1 36 15 7  o -1.256000      1.027000      76.95792      22.9   
1 1 1 36 15 8  o 0.3627000      1.002000      125.5419      62.0   
1 1 1 36 15 9  o -0.6951000     1.015000      89.17783      106.0  
1 1 1 36 15 10 o -0.2082000     1.042000      136.8189      163.7  
1 1 1 36 15 11 o 1.225000       1.061000      151.8595      -97.3  
1 1 1 36 15 12 o -0.3531000     1.054000      101.9737      120.5  
1 1 1 36 15 13 o 0.3757000E-01  1.041000      76.71595      40.8   
1 1 1 36 15 14 o -1.219000      1.268000      123.3719      53.3   
1 1 1 36 15 15 o 1.005000       1.294000      196.3187      98.9   
1 1 1 36 15 16 o 0.6417000      1.133000      94.86992      139.0  
1 1 1 36 15 17 o 1.324000       1.093000      63.70032      -147.3 
1 1 1 36 15 18 o 1.360000       1.104000      62.36567      106.5  
1 1 1 36 15 19 o 2.370000       1.116000      119.7216      81.9   
1 1 1 36 15 20 o 1.951000       1.114000      25.89147      55.8   
1 1 1 36 15 21 o 0.8616000      1.091000      77.61111      82.8   
1 1 1 36 15 22 o -1.117000      1.062000      60.72226      21.4   
1 1 1 36 15 23 o 0.9514000      1.057000      100.2884      59.4   
1 1 1 36 15 24 o 0.6570000      1.059000      65.17178      -158.1 
1 1 1 36 15 25 o -0.7591000     1.058000      135.2179      -167.1 
1 1 1 36 15 26 o 0.8884000      1.069000      127.4298      -52.2  
1 1 1 36 15 27 o 0.6781000      1.077000      132.3211      134.5  
1 1 1 36 15 28 o -0.4317000     1.116000      25.33352      -159.5 
1 1 1 36 15 29 f 1.717000       1.129000      186.8594      -64.1  
1 1 1 36 15 30 o -2.404000      1.153000      75.05907      -11.7  
1 1 1 36 15 31 o 2.056000       1.279000      128.7374      125.6  
1 1 1 36 15 32 o 0.3228000      1.360000      58.14236      30.5   
1 1 1 36 15 33 o 0.3097000      1.176000      ?             ?      
1 1 1 36 15 34 o 1.328000       1.107000      ?             ?      
1 1 1 36 15 35 o -0.3637000E-01 1.049000      ?             ?      
1 1 1 36 15 36 o 0.2843000      1.050000      ?             ?      
1 1 1 36 15 37 o -1.496000      1.028000      ?             ?      
1 1 1 36 15 38 o -0.9581000     1.025000      ?             ?      
1 1 1 36 15 39 o 0.6688000      1.008000      ?             ?      
1 1 1 36 15 40 o 0.9978000E-01  0.9986000     ?             ?      
1 1 1 36 15 41 o 1.216000       1.226000      ?             ?      
1 1 1 36 15 42 o 0.2204000      1.211000      ?             ?      
1 1 1 36 15 43 o -0.5505000     1.088000      ?             ?      
1 1 1 36 15 44 o -0.9488000     1.080000      ?             ?      
1 1 1 36 15 45 o -1.393000      1.020000      ?             ?      
1 1 1 36 15 46 o 0.9068000      1.077000      ?             ?      
1 1 1 36 15 47 o -0.5636000     1.090000      ?             ?      
1 1 1 36 15 48 o -0.8609000     1.199000      ?             ?      
1 1 1 36 15 49 o 2.820000       1.143000      ?             ?      
1 1 1 36 15 50 o -1.125000      1.147000      ?             ?      
1 1 1 36 15 51 o 0.5191000      1.252000      ?             ?      
1 1 1 36 15 52 o 0.3301000E-02  1.332000      ?             ?      
1 1 1 36 15 53 o 0.1577000      1.231000      ?             ?      
1 1 1 36 15 54 o -0.4287000     1.208000      ?             ?      
1 1 1 36 15 55 o 0.8441000      1.637000      ?             ?      
1 1 1 36 15 56 o -0.7475000     1.173000      ?             ?      
1 1 1 36 16 0  o 0.4830000      1.344000      169.7804      -180.0 
1 1 1 36 16 1  o -0.4841000     0.9441000     35.04711      41.1   
1 1 1 36 16 2  o 1.183000       1.017000      149.0134      -5.2   
1 1 1 36 16 3  o 1.765000       1.087000      146.9279      -167.7 
1 1 1 36 16 4  o 1.494000       1.073000      174.7827      -150.6 
1 1 1 36 16 5  o 1.386000       1.026000      95.21069      -70.6  
1 1 1 36 16 6  o -0.5958000     1.069000      133.2906      -72.4  
1 1 1 36 16 7  o -1.561000      1.090000      98.01132      47.0   
1 1 1 36 16 8  o -0.7668000E-01 1.069000      81.95056      -81.6  
1 1 1 36 16 9  o -0.1546000     1.092000      42.17560      -47.0  
1 1 1 36 16 10 o -0.1399000     1.101000      101.2463      -44.3  
1 1 1 36 16 11 o 0.5825000      1.086000      28.33640      3.3    
1 1 1 36 16 12 o -1.055000      1.134000      126.7929      122.9  
1 1 1 36 16 13 o 0.5223000      1.081000      98.14433      176.0  
1 1 1 36 16 14 o 0.3619000      1.146000      181.3548      -174.9 
1 1 1 36 16 15 o 0.4256000      1.131000      81.35200      136.2  
1 1 1 36 16 16 o -1.058000      1.115000      151.1687      -58.1  
1 1 1 36 16 17 o 2.779000       1.122000      65.90801      153.2  
1 1 1 36 16 18 o 1.363000       1.130000      155.3650      -148.3 
1 1 1 36 16 19 o 4.414000       1.142000      190.4767      127.3  
1 1 1 36 16 20 o 1.081000       1.131000      160.9165      111.6  
1 1 1 36 16 21 o 1.616000       1.143000      158.0518      -179.4 
1 1 1 36 16 22 o 4.003000       1.095000      232.6623      -143.2 
1 1 1 36 16 23 o 1.402000       1.050000      63.54129      16.8   
1 1 1 36 16 24 o 1.006000       1.063000      70.35191      -128.8 
1 1 1 36 16 25 o 0.1684000      1.081000      57.22518      -44.6  
1 1 1 36 16 26 o 0.6575000      1.076000      120.7265      -143.5 
1 1 1 36 16 27 o 0.8288000      1.118000      97.28025      94.0   
1 1 1 36 16 28 o -1.626000      1.107000      29.24750      -73.8  
1 1 1 36 16 29 o -0.1388000     1.117000      6.248353      70.9   
1 1 1 36 16 30 o 1.899000       1.268000      148.1371      -126.8 
1 1 1 36 16 31 o 1.731000       1.266000      180.7210      -140.1 
1 1 1 36 16 32 o -2.106000      1.335000      62.51055      26.2   
1 1 1 36 16 33 o 2.004000       1.161000      ?             ?      
1 1 1 36 16 34 o -0.2803000     1.051000      ?             ?      
1 1 1 36 16 35 o 1.433000       1.063000      ?             ?      
1 1 1 36 16 36 o 0.4469000      1.038000      ?             ?      
1 1 1 36 16 37 o 0.2840000E-01  1.024000      ?             ?      
1 1 1 36 16 38 o 0.3576000      1.026000      ?             ?      
1 1 1 36 16 39 o 1.414000       1.023000      ?             ?      
1 1 1 36 16 40 o -0.5091000     0.9838000     ?             ?      
1 1 1 36 16 41 o -1.894000      1.216000      ?             ?      
1 1 1 36 16 42 o 0.9275000      1.228000      ?             ?      
1 1 1 36 16 43 o 0.8828000      1.291000      ?             ?      
1 1 1 36 16 44 o -0.1197000     1.069000      ?             ?      
1 1 1 36 16 45 o 0.8179000E-01  1.028000      ?             ?      
1 1 1 36 16 46 o 1.296000       1.028000      ?             ?      
1 1 1 36 16 47 o 0.4438000      1.078000      ?             ?      
1 1 1 36 16 48 o 0.9693000E-01  1.101000      ?             ?      
1 1 1 36 16 49 o 0.5347000E-01  1.131000      ?             ?      
1 1 1 36 16 50 o 0.4537000      1.162000      ?             ?      
1 1 1 36 16 51 o -0.6095000     1.253000      ?             ?      
1 1 1 36 16 52 o 0.2925000E-01  1.272000      ?             ?      
1 1 1 36 16 53 o 1.263000       1.234000      ?             ?      
1 1 1 36 16 54 o -0.3398000     1.125000      ?             ?      
1 1 1 36 16 55 o 0.9996000      1.159000      ?             ?      
1 1 1 36 16 56 o -0.5346000E-01 1.450000      ?             ?      
1 1 1 36 17 0  o 0.4438000E-01  1.344000      223.0161      180.0  
1 1 1 36 17 1  o 0.6697000      0.9669000     133.2944      -103.7 
1 1 1 36 17 2  o -0.3771000     0.9359000     63.85422      6.6    
1 1 1 36 17 3  o -2.165000      1.022000      163.7768      -1.6   
1 1 1 36 17 4  o -0.3496000E-01 0.9753000     93.00512      -41.7  
1 1 1 36 17 5  o -1.322000      1.114000      61.25460      -115.4 
1 1 1 36 17 6  o 0.6054000      1.238000      249.5571      114.8  
1 1 1 36 17 7  o 2.291000       1.113000      171.5165      54.6   
1 1 1 36 17 8  o 0.8830000      1.052000      85.40382      79.5   
1 1 1 36 17 9  o 1.916000       1.171000      39.92741      126.2  
1 1 1 36 17 10 o 1.744000       1.181000      112.6498      -162.7 
1 1 1 36 17 11 o 1.314000       1.075000      96.04980      -35.5  
1 1 1 36 17 12 o 2.215000       1.130000      134.1188      64.8   
1 1 1 36 17 13 o 2.978000       1.107000      175.9597      -75.8  
1 1 1 36 17 14 o 1.505000       1.086000      179.2440      92.6   
1 1 1 36 17 15 o 0.5157000      1.167000      109.2818      49.4   
1 1 1 36 17 16 o 0.8621000      1.150000      153.5335      156.0  
1 1 1 36 17 17 o -0.1731000     1.142000      103.2210      -5.2   
1 1 1 36 17 18 o 4.002000       1.162000      215.0131      -176.4 
1 1 1 36 17 19 o -0.6323000     1.117000      103.2006      -21.1  
1 1 1 36 17 20 o 1.526000       1.123000      58.81215      -49.8  
1 1 1 36 17 21 o 0.4742000      1.123000      105.5781      -136.5 
1 1 1 36 17 22 o 3.557000       1.203000      89.18230      173.1  
1 1 1 36 17 23 o -0.4567000     1.067000      112.6837      -24.4  
1 1 1 36 17 24 o 1.214000       1.059000      74.60979      -21.6  
1 1 1 36 17 25 o 3.034000       1.107000      223.0694      -117.3 
1 1 1 36 17 26 o 2.271000       1.101000      140.3343      -26.0  
1 1 1 36 17 27 o -0.9214000     1.107000      111.6944      133.8  
1 1 1 36 17 28 o 0.2623000E-01  1.105000      34.90159      -10.9  
1 1 1 36 17 29 o 2.267000       1.150000      205.9448      -104.6 
1 1 1 36 17 30 o 1.501000       1.245000      143.7483      3.4    
1 1 1 36 17 31 o 0.9663000      1.303000      32.23825      -112.3 
1 1 1 36 17 32 o 0.3129000      1.183000      ?             ?      
1 1 1 36 17 33 o 1.552000       1.100000      ?             ?      
1 1 1 36 17 34 o -0.6869000     1.051000      ?             ?      
1 1 1 36 17 35 o 1.003000       1.057000      ?             ?      
1 1 1 36 17 36 o 0.3846000      1.024000      ?             ?      
1 1 1 36 17 37 o -0.5508000E-01 1.017000      ?             ?      
1 1 1 36 17 38 o 1.837000       1.031000      ?             ?      
1 1 1 36 17 39 o 1.594000       1.014000      ?             ?      
1 1 1 36 17 40 o 0.7221000      0.9994000     ?             ?      
1 1 1 36 17 41 o -0.8261000     1.214000      ?             ?      
1 1 1 36 17 42 o 1.901000       1.219000      ?             ?      
1 1 1 36 17 43 o 0.7731000      1.292000      ?             ?      
1 1 1 36 17 44 o -0.1299000E-01 1.076000      ?             ?      
1 1 1 36 17 45 o 1.735000       1.092000      ?             ?      
1 1 1 36 17 46 o 0.3813000      1.008000      ?             ?      
1 1 1 36 17 47 o 0.7465000      1.073000      ?             ?      
1 1 1 36 17 48 o -1.034000      1.084000      ?             ?      
1 1 1 36 17 49 o -0.1628000     1.200000      ?             ?      
1 1 1 36 17 50 o -0.2048000     1.319000      ?             ?      
1 1 1 36 17 51 o 1.696000       1.393000      ?             ?      
1 1 1 36 17 52 o -1.431000      1.205000      ?             ?      
1 1 1 36 17 53 o 0.3873000      1.108000      ?             ?      
1 1 1 36 17 54 o 1.134000       1.126000      ?             ?      
1 1 1 36 17 55 o -1.068000      1.154000      ?             ?      
1 1 1 36 18 0  o -1.791000      1.342000      38.58253      -0.0   
1 1 1 36 18 1  o 1.120000       0.9574000     103.9074      -69.7  
1 1 1 36 18 2  o 0.9070000      0.9823000     129.7217      -57.7  
1 1 1 36 18 3  o 5.226000       1.050000      322.0356      99.0   
1 1 1 36 18 4  o 1.220000       1.049000      159.9311      -93.8  
1 1 1 36 18 5  o 0.3102000      1.011000      48.21629      -108.9 
1 1 1 36 18 6  o 0.3371000      1.054000      159.8242      175.0  
1 1 1 36 18 7  o 1.632000       1.076000      109.9850      -86.9  
1 1 1 36 18 8  o 0.6261000      1.127000      46.33886      -97.5  
1 1 1 36 18 9  o 0.2788000      1.147000      146.4308      -55.4  
1 1 1 36 18 10 o 0.5282000      1.079000      119.3114      -10.3  
1 1 1 36 18 11 o 1.435000       1.150000      67.28252      71.2   
1 1 1 36 18 12 o 4.761000       1.207000      181.6763      103.0  
1 1 1 36 18 13 o 5.607000       1.202000      274.8677      177.0  
1 1 1 36 18 14 o 1.812000       1.135000      174.8530      57.7   
1 1 1 36 18 15 o 3.961000       1.175000      124.7008      157.0  
1 1 1 36 18 16 o 5.735000       1.220000      209.8869      -132.0 
1 1 1 36 18 17 o 7.618000       1.229000      202.0876      -125.2 
1 1 1 36 18 18 o 1.903000       1.177000      134.1104      -96.6  
1 1 1 36 18 19 o -1.095000      1.140000      37.47674      -47.6  
1 1 1 36 18 20 o 1.849000       1.145000      178.8152      -178.0 
1 1 1 36 18 21 o 5.325000       1.159000      264.6189      -133.2 
1 1 1 36 18 22 o 0.8969000      1.139000      61.74282      19.1   
1 1 1 36 18 23 o 4.942000       1.224000      101.8225      -56.2  
1 1 1 36 18 24 o 2.734000       1.085000      102.6551      -136.9 
1 1 1 36 18 25 o 1.236000       1.086000      112.0236      -137.4 
1 1 1 36 18 26 o 0.6083000      1.092000      91.18182      -23.8  
1 1 1 36 18 27 o 1.909000       1.121000      157.2454      53.7   
1 1 1 36 18 28 o 0.4935000      1.147000      209.3540      -111.8 
1 1 1 36 18 29 o 1.804000       1.163000      93.18327      52.7   
1 1 1 36 18 30 o 2.990000       1.352000      137.9338      -34.3  
1 1 1 36 18 31 o 0.8920000      1.343000      ?             ?      
1 1 1 36 18 32 o 0.8765000      1.152000      ?             ?      
1 1 1 36 18 33 o 0.7990000      1.078000      ?             ?      
1 1 1 36 18 34 o 0.9970000      1.051000      ?             ?      
1 1 1 36 18 35 o 1.916000       1.037000      ?             ?      
1 1 1 36 18 36 o -1.058000      1.021000      ?             ?      
1 1 1 36 18 37 o 1.772000       1.025000      ?             ?      
1 1 1 36 18 38 o 3.860000       1.034000      ?             ?      
1 1 1 36 18 39 o -0.3389000     0.9953000     ?             ?      
1 1 1 36 18 40 o 0.1702000      0.9895000     ?             ?      
1 1 1 36 18 41 o -0.9211000     1.196000      ?             ?      
1 1 1 36 18 42 o -0.8295000     1.218000      ?             ?      
1 1 1 36 18 43 o -0.7614000     1.246000      ?             ?      
1 1 1 36 18 44 o 2.397000       1.094000      ?             ?      
1 1 1 36 18 45 o 3.897000       1.099000      ?             ?      
1 1 1 36 18 46 o 2.093000       1.012000      ?             ?      
1 1 1 36 18 47 o -1.270000      1.015000      ?             ?      
1 1 1 36 18 48 o 0.2318000      1.072000      ?             ?      
1 1 1 36 18 49 o -0.4708000     1.114000      ?             ?      
1 1 1 36 18 50 o -0.2679000     1.324000      ?             ?      
1 1 1 36 18 51 o -0.7483000     1.309000      ?             ?      
1 1 1 36 18 52 o -1.036000      1.201000      ?             ?      
1 1 1 36 18 53 o -0.3989000     1.190000      ?             ?      
1 1 1 36 18 54 o -0.2292000     1.115000      ?             ?      
1 1 1 36 18 55 o -0.8435000     1.152000      ?             ?      
1 1 1 36 19 0  o -0.7483000     1.453000      140.9934      180.0  
1 1 1 36 19 1  o -1.909000      1.055000      28.59910      -58.8  
1 1 1 36 19 2  o 0.3284000      1.057000      48.56471      -8.6   
1 1 1 36 19 3  o 1.498000       1.023000      110.6846      -54.4  
1 1 1 36 19 4  o -0.4650000E-01 1.028000      158.0254      -161.1 
1 1 1 36 19 5  o 1.656000       1.026000      85.72244      -31.7  
1 1 1 36 19 6  o 1.120000       1.007000      127.0494      131.8  
1 1 1 36 19 7  o 1.324000       1.014000      80.79579      147.6  
1 1 1 36 19 8  o -0.2169000     1.031000      69.86721      -37.2  
1 1 1 36 19 9  o 1.143000       1.062000      190.7286      179.2  
1 1 1 36 19 10 o 4.904000       1.116000      279.2977      106.4  
1 1 1 36 19 11 o 2.960000       1.193000      79.70750      102.7  
1 1 1 36 19 12 o 2.306000       1.219000      20.57745      -119.5 
1 1 1 36 19 13 o 2.615000       1.121000      209.5767      -148.9 
1 1 1 36 19 14 o -0.3892000     1.203000      12.54970      -95.2  
1 1 1 36 19 15 o 1.638000       1.274000      93.91866      30.2   
1 1 1 36 19 16 o 1.574000       1.192000      148.2157      -33.3  
1 1 1 36 19 17 o 9.458000       1.256000      366.2741      -11.2  
1 1 1 36 19 18 o 2.731000       1.189000      144.9880      -156.0 
1 1 1 36 19 19 o 6.724000       1.213000      361.4830      -22.4  
1 1 1 36 19 20 o 3.242000       1.175000      136.6068      -83.4  
1 1 1 36 19 21 o 0.3446000      1.150000      180.7509      -142.3 
1 1 1 36 19 22 o 1.395000       1.167000      109.4069      -78.3  
1 1 1 36 19 23 o 3.548000       1.204000      198.9573      -23.8  
1 1 1 36 19 24 o 3.187000       1.227000      289.5234      -54.0  
1 1 1 36 19 25 o -2.526000      1.080000      124.1027      -149.1 
1 1 1 36 19 26 o 5.994000       1.150000      257.6332      18.1   
1 1 1 36 19 27 o 5.397000       1.154000      287.7242      93.1   
1 1 1 36 19 28 o 2.092000       1.152000      123.3583      135.9  
1 1 1 36 19 29 f -0.3269000     1.250000      90.56554      -113.2 
1 1 1 36 19 30 o 0.1268000      1.300000      ?             ?      
1 1 1 36 19 31 o -0.4181000     1.185000      ?             ?      
1 1 1 36 19 32 o 0.9046000      1.098000      ?             ?      
1 1 1 36 19 33 o 1.474000       1.054000      ?             ?      
1 1 1 36 19 34 o 1.021000       1.043000      ?             ?      
1 1 1 36 19 35 o 1.498000       1.038000      ?             ?      
1 1 1 36 19 36 o -0.7697000     1.016000      ?             ?      
1 1 1 36 19 37 o 1.469000       1.019000      ?             ?      
1 1 1 36 19 38 o 1.430000       1.005000      ?             ?      
1 1 1 36 19 39 o 1.488000       0.9846000     ?             ?      
1 1 1 36 19 40 o -1.024000      0.9767000     ?             ?      
1 1 1 36 19 41 o 1.527000       0.9988000     ?             ?      
1 1 1 36 19 42 o -0.6768000     1.219000      ?             ?      
1 1 1 36 19 43 o -0.1958000E-01 1.241000      ?             ?      
1 1 1 36 19 44 o -0.7687000     1.093000      ?             ?      
1 1 1 36 19 45 o 2.544000       1.080000      ?             ?      
1 1 1 36 19 46 o 0.3590000      1.008000      ?             ?      
1 1 1 36 19 47 o 1.075000       1.013000      ?             ?      
1 1 1 36 19 48 o -0.2833000     1.079000      ?             ?      
1 1 1 36 19 49 o -1.452000      1.253000      ?             ?      
1 1 1 36 19 50 o -0.8535000E-01 1.484000      ?             ?      
1 1 1 36 19 51 o -0.3053000     1.271000      ?             ?      
1 1 1 36 19 52 o 0.7326000      1.138000      ?             ?      
1 1 1 36 19 53 o -0.9800000     1.105000      ?             ?      
1 1 1 36 19 54 o 0.6260000      1.126000      ?             ?      
1 1 1 36 20 0  o 0.5891000      1.314000      77.50957      -180.0 
1 1 1 36 20 1  o 0.7688000      0.9860000     88.86745      -144.9 
1 1 1 36 20 2  o 2.439000       1.362000      90.98051      30.6   
1 1 1 36 20 3  o 1.556000       1.107000      203.9650      58.5   
1 1 1 36 20 4  o 2.979000       1.025000      204.3971      -103.3 
1 1 1 36 20 5  o -1.377000      1.075000      75.32076      37.6   
1 1 1 36 20 6  o 0.4706000      1.041000      76.66252      -148.0 
1 1 1 36 20 7  o 1.267000       1.047000      123.5245      -28.6  
1 1 1 36 20 8  o -1.079000      1.043000      119.2363      -139.2 
1 1 1 36 20 9  o 3.530000       1.066000      212.6767      -114.5 
1 1 1 36 20 10 o 3.495000       1.087000      186.7174      -136.3 
1 1 1 36 20 11 o 2.515000       1.082000      181.5690      156.4  
1 1 1 36 20 12 o 1.789000       1.082000      97.11449      -177.3 
1 1 1 36 20 13 o 0.6097000      1.214000      90.91383      -178.1 
1 1 1 36 20 14 o -0.3826000     1.224000      105.4440      65.5   
1 1 1 36 20 15 o 2.842000       1.383000      136.2093      94.2   
1 1 1 36 20 16 o 3.641000       1.223000      245.9275      -160.9 
1 1 1 36 20 17 o 4.443000       1.270000      263.6844      11.8   
1 1 1 36 20 18 o 1.152000       1.241000      67.51479      46.0   
1 1 1 36 20 19 o 4.140000       1.213000      193.8761      -94.0  
1 1 1 36 20 20 o 0.3067000      1.172000      20.48450      -167.1 
1 1 1 36 20 21 o 0.1164000      1.171000      99.81905      9.5    
1 1 1 36 20 22 o 4.454000       1.205000      214.1775      20.4   
1 1 1 36 20 23 o 1.268000       1.211000      184.7011      -112.4 
1 1 1 36 20 24 o 0.9450000      1.182000      181.8718      -169.9 
1 1 1 36 20 25 o -0.5906000E-01 1.209000      79.47656      160.4  
1 1 1 36 20 26 o 0.1820000      1.120000      35.81591      -38.3  
1 1 1 36 20 27 o 0.6988000      1.150000      46.70061      -109.1 
1 1 1 36 20 28 o -0.1792000     1.154000      115.3954      -101.8 
1 1 1 36 20 29 f 2.093000       1.334000      ?             ?      
1 1 1 36 20 30 o 0.2509000      1.322000      ?             ?      
1 1 1 36 20 31 o -1.483000      1.114000      ?             ?      
1 1 1 36 20 32 o 3.195000       1.102000      ?             ?      
1 1 1 36 20 33 o 0.2924000      1.044000      ?             ?      
1 1 1 36 20 34 o 0.5091000E-02  1.020000      ?             ?      
1 1 1 36 20 35 o 0.9698000      1.014000      ?             ?      
1 1 1 36 20 36 o 0.9569000      1.009000      ?             ?      
1 1 1 36 20 37 o 1.704000       1.011000      ?             ?      
1 1 1 36 20 38 o 0.8140000      0.9898000     ?             ?      
1 1 1 36 20 39 o -0.9412000     0.9735000     ?             ?      
1 1 1 36 20 40 o 2.564000       0.9827000     ?             ?      
1 1 1 36 20 41 o -1.794000      0.9827000     ?             ?      
1 1 1 36 20 42 o -0.9153000     1.212000      ?             ?      
1 1 1 36 20 43 o 0.5132000      1.234000      ?             ?      
1 1 1 36 20 44 o 1.023000       1.313000      ?             ?      
1 1 1 36 20 45 o -0.5856000     1.055000      ?             ?      
1 1 1 36 20 46 o -1.022000      1.067000      ?             ?      
1 1 1 36 20 47 o 0.4551000      1.004000      ?             ?      
1 1 1 36 20 48 o -1.427000      1.008000      ?             ?      
1 1 1 36 20 49 o -0.9282000     1.266000      ?             ?      
1 1 1 36 20 50 o 0.2585000      1.262000      ?             ?      
1 1 1 36 20 51 o 1.378000       1.279000      ?             ?      
1 1 1 36 20 52 o 0.9080000      1.173000      ?             ?      
1 1 1 36 20 53 o -0.3197000     1.078000      ?             ?      
1 1 1 36 20 54 o -1.508000      1.123000      ?             ?      
1 1 1 36 21 0  o 2.467000       1.291000      10.77256      0.0    
1 1 1 36 21 1  o 0.8248000      0.8998000     83.52509      -179.5 
1 1 1 36 21 2  o -0.3601000     1.039000      156.5042      101.4  
1 1 1 36 21 3  o -1.292000      1.034000      96.70324      120.8  
1 1 1 36 21 4  o 0.9106000      1.250000      68.42665      -111.1 
1 1 1 36 21 5  o 2.028000       1.308000      158.1233      -84.3  
1 1 1 36 21 6  o 1.591000       1.134000      188.0647      133.2  
1 1 1 36 21 7  o 1.279000       1.056000      108.5944      -88.8  
1 1 1 36 21 8  o 1.350000       1.067000      139.4029      159.1  
1 1 1 36 21 9  o -0.8698000     1.075000      42.87265      164.3  
1 1 1 36 21 10 o 1.973000       1.080000      97.16522      27.0   
1 1 1 36 21 11 o 1.653000       1.077000      138.7561      -53.3  
1 1 1 36 21 12 o 0.2714000      1.111000      156.6624      -153.1 
1 1 1 36 21 13 o 1.811000       1.111000      155.6636      136.0  
1 1 1 36 21 14 o 1.293000       1.095000      50.93102      18.2   
1 1 1 36 21 15 o 0.3743000      1.179000      131.3228      -69.2  
1 1 1 36 21 16 o -0.6914000     1.215000      37.89507      89.4   
1 1 1 36 21 17 o 1.898000       1.379000      123.0788      -60.3  
1 1 1 36 21 18 o -1.636000      1.371000      54.47746      87.0   
1 1 1 36 21 19 o 3.507000       1.225000      237.9646      -43.0  
1 1 1 36 21 20 o -1.200000      1.285000      120.4964      137.6  
1 1 1 36 21 21 o -1.555000      1.242000      49.61479      36.0   
1 1 1 36 21 22 o 4.229000       1.234000      317.2825      -65.5  
1 1 1 36 21 23 o 3.609000       1.224000      283.1288      -19.9  
1 1 1 36 21 24 o 1.803000       1.188000      203.1593      -92.0  
1 1 1 36 21 25 o 5.570000       1.224000      263.0126      112.6  
1 1 1 36 21 26 o 2.009000       1.243000      206.4251      -16.7  
1 1 1 36 21 27 o 2.285000       1.149000      151.2959      81.3   
1 1 1 36 21 28 o 0.3513000      1.299000      67.86352      74.1   
1 1 1 36 21 29 o 1.759000       1.284000      ?             ?      
1 1 1 36 21 30 o 1.496000       1.313000      ?             ?      
1 1 1 36 21 31 o 0.6246000      1.100000      ?             ?      
1 1 1 36 21 32 o -0.2140000     1.053000      ?             ?      
1 1 1 36 21 33 o -0.9543000     1.031000      ?             ?      
1 1 1 36 21 34 o 1.562000       1.027000      ?             ?      
1 1 1 36 21 35 o 1.234000       1.022000      ?             ?      
1 1 1 36 21 36 o 1.427000       0.9996000     ?             ?      
1 1 1 36 21 37 o 1.430000       0.9881000     ?             ?      
1 1 1 36 21 38 f 0.3194000E-01  0.9818000     ?             ?      
1 1 1 36 21 39 o 0.6584000      0.9886000     ?             ?      
1 1 1 36 21 40 o 0.7502000      0.9737000     ?             ?      
1 1 1 36 21 41 f -0.9393000E-01 0.9830000     ?             ?      
1 1 1 36 21 42 o 0.8500000      1.207000      ?             ?      
1 1 1 36 21 43 o 1.297000       1.221000      ?             ?      
1 1 1 36 21 44 o 0.9042000      1.285000      ?             ?      
1 1 1 36 21 45 o 2.000000       1.067000      ?             ?      
1 1 1 36 21 46 o 0.1883000      1.062000      ?             ?      
1 1 1 36 21 47 o -0.6466000     1.001000      ?             ?      
1 1 1 36 21 48 o -0.3038000     1.126000      ?             ?      
1 1 1 36 21 49 o -1.243000      1.289000      ?             ?      
1 1 1 36 21 50 o -0.3782000     1.233000      ?             ?      
1 1 1 36 21 51 o -0.4133000E-01 1.301000      ?             ?      
1 1 1 36 21 52 o 0.9636000      1.183000      ?             ?      
1 1 1 36 21 53 o 1.178000       1.188000      ?             ?      
1 1 1 36 22 0  o -0.2363000     1.272000      172.1759      180.0  
1 1 1 36 22 1  o 0.8780000      0.9374000     66.33547      -55.8  
1 1 1 36 22 2  o 0.6349000      1.035000      215.3256      33.6   
1 1 1 36 22 3  o 0.4219000      1.051000      197.4194      -142.2 
1 1 1 36 22 4  o 2.329000       1.116000      148.1584      -161.1 
1 1 1 36 22 5  o 0.9533000      1.098000      181.0392      -0.8   
1 1 1 36 22 6  o -0.4309000     1.074000      93.81933      -72.8  
1 1 1 36 22 7  o 0.2384000      1.193000      174.7714      -91.1  
1 1 1 36 22 8  o -1.189000      1.334000      67.45447      116.7  
1 1 1 36 22 9  o 3.350000       1.194000      228.0317      -129.8 
1 1 1 36 22 10 o -0.7477000     1.098000      202.9348      149.0  
1 1 1 36 22 11 o 0.5945000      1.110000      115.9565      154.7  
1 1 1 36 22 12 o 3.035000       1.110000      249.8997      -175.2 
1 1 1 36 22 13 o 6.624000       1.145000      325.1738      -148.1 
1 1 1 36 22 14 o 2.389000       1.100000      36.33562      53.0   
1 1 1 36 22 15 o 0.9021000      1.092000      79.59589      4.2    
1 1 1 36 22 16 o 0.1087000      1.185000      28.48039      135.7  
1 1 1 36 22 17 o 2.626000       1.220000      196.0099      -4.0   
1 1 1 36 22 18 o 1.011000       1.224000      189.9096      -86.2  
1 1 1 36 22 19 o -1.835000      1.408000      116.9196      -103.3 
1 1 1 36 22 20 o 1.663000       1.406000      145.3761      7.1    
1 1 1 36 22 21 o 1.179000       1.241000      96.92584      103.6  
1 1 1 36 22 22 o -1.745000      1.202000      38.71595      -19.8  
1 1 1 36 22 23 o 2.068000       1.254000      189.3904      -56.1  
1 1 1 36 22 24 o 1.596000       1.224000      80.91744      116.9  
1 1 1 36 22 25 o 0.4152000      1.254000      21.00107      -47.0  
1 1 1 36 22 26 o 2.426000       1.368000      159.2560      166.1  
1 1 1 36 22 27 o 1.517000       1.210000      ?             ?      
1 1 1 36 22 28 o 1.592000       1.266000      ?             ?      
1 1 1 36 22 29 o 0.7166000      1.258000      ?             ?      
1 1 1 36 22 30 o 2.085000       1.126000      ?             ?      
1 1 1 36 22 31 o 2.624000       1.117000      ?             ?      
1 1 1 36 22 32 o -0.4134000     1.043000      ?             ?      
1 1 1 36 22 33 o 0.2193000      1.022000      ?             ?      
1 1 1 36 22 34 o 0.9289000      1.016000      ?             ?      
1 1 1 36 22 35 o -0.1280000     1.000000      ?             ?      
1 1 1 36 22 36 o -0.2787000     0.9938000     ?             ?      
1 1 1 36 22 37 o -0.5195000     0.9774000     ?             ?      
1 1 1 36 22 38 o -0.5516000E-01 0.9670000     ?             ?      
1 1 1 36 22 39 o -0.6306000     0.9677000     ?             ?      
1 1 1 36 22 40 o -0.4896000     0.9868000     ?             ?      
1 1 1 36 22 41 o 1.263000       0.9913000     ?             ?      
1 1 1 36 22 42 o 0.2993000      1.171000      ?             ?      
1 1 1 36 22 43 f 0.9106000E-01  1.200000      ?             ?      
1 1 1 36 22 44 o -0.2208000E-01 1.206000      ?             ?      
1 1 1 36 22 45 o 0.4945000      1.074000      ?             ?      
1 1 1 36 22 46 o 1.263000       1.073000      ?             ?      
1 1 1 36 22 47 o 0.9215000E-01  1.005000      ?             ?      
1 1 1 36 22 48 o 0.6993000      1.130000      ?             ?      
1 1 1 36 22 49 o -1.347000      1.245000      ?             ?      
1 1 1 36 22 50 o 1.256000       1.565000      ?             ?      
1 1 1 36 22 51 o 1.491000       1.146000      ?             ?      
1 1 1 36 22 52 o -0.5578000     1.176000      ?             ?      
1 1 1 36 22 53 o 0.6745000      1.181000      ?             ?      
1 1 1 36 23 0  o 0.6609000      1.299000      118.3234      180.0  
1 1 1 36 23 1  o 2.391000       1.088000      98.22482      27.6   
1 1 1 36 23 2  o -0.6661000     1.061000      137.3260      1.8    
1 1 1 36 23 3  o 0.2322000E-01  1.063000      53.01979      -62.4  
1 1 1 36 23 4  o 1.746000       1.094000      149.5229      -36.5  
1 1 1 36 23 5  o 0.5609000      1.110000      86.17690      -112.8 
1 1 1 36 23 6  o 6.921000       1.099000      259.0308      83.9   
1 1 1 36 23 7  o 3.595000       1.126000      226.0873      -133.2 
1 1 1 36 23 8  o 1.486000       1.097000      68.05627      43.0   
1 1 1 36 23 9  o -0.2510000     1.192000      71.50833      -88.4  
1 1 1 36 23 10 o 1.983000       1.227000      241.4870      -36.1  
1 1 1 36 23 11 o 2.505000       1.212000      132.9579      -96.8  
1 1 1 36 23 12 o -1.678000      1.193000      61.76541      -28.1  
1 1 1 36 23 13 o 1.966000       1.122000      100.5992      -12.6  
1 1 1 36 23 14 o 1.436000       1.121000      114.6965      -73.0  
1 1 1 36 23 15 o -1.185000      1.108000      84.42481      -132.8 
1 1 1 36 23 16 o 1.573000       1.208000      34.14875      -40.7  
1 1 1 36 23 17 o 5.762000       1.257000      224.7552      -49.3  
1 1 1 36 23 18 o 0.4200000E-01  1.226000      130.5698      90.0   
1 1 1 36 23 19 o 0.7102000      1.243000      81.04546      73.8   
1 1 1 36 23 20 o 1.604000       1.243000      67.10147      133.5  
1 1 1 36 23 21 o -0.2378000     1.228000      142.9777      10.5   
1 1 1 36 23 22 o 0.2641000      1.365000      170.9525      -72.2  
1 1 1 36 23 23 o 2.040000       1.356000      241.7810      16.8   
1 1 1 36 23 24 o -0.7395000     1.181000      65.67971      115.9  
1 1 1 36 23 25 f 1.512000       1.403000      121.8668      110.9  
1 1 1 36 23 26 o 1.997000       1.403000      ?             ?      
1 1 1 36 23 27 o -2.864000      1.374000      ?             ?      
1 1 1 36 23 28 o 0.2099000      1.270000      ?             ?      
1 1 1 36 23 29 o 3.334000       1.310000      ?             ?      
1 1 1 36 23 30 o 3.216000       1.137000      ?             ?      
1 1 1 36 23 31 o 2.051000       1.065000      ?             ?      
1 1 1 36 23 32 o -0.4442000E-01 1.046000      ?             ?      
1 1 1 36 23 33 o -0.3560000     1.012000      ?             ?      
1 1 1 36 23 34 o 1.361000       1.015000      ?             ?      
1 1 1 36 23 35 o -0.8369000     0.9919000     ?             ?      
1 1 1 36 23 36 o 1.098000       0.9788000     ?             ?      
1 1 1 36 23 37 o 0.3624000      0.9703000     ?             ?      
1 1 1 36 23 38 o 0.3542000      0.9665000     ?             ?      
1 1 1 36 23 39 o -0.7139000     0.9698000     ?             ?      
1 1 1 36 23 40 o -0.3860000     0.9715000     ?             ?      
1 1 1 36 23 41 o 1.035000       0.9858000     ?             ?      
1 1 1 36 23 42 o 0.7250000      0.9917000     ?             ?      
1 1 1 36 23 43 o -0.2422000     1.162000      ?             ?      
1 1 1 36 23 44 o 0.7016000      1.201000      ?             ?      
1 1 1 36 23 45 o -0.8997000     1.066000      ?             ?      
1 1 1 36 23 46 o 0.9615000      1.072000      ?             ?      
1 1 1 36 23 47 o 1.097000       1.158000      ?             ?      
1 1 1 36 23 48 o 0.1082000      1.232000      ?             ?      
1 1 1 36 23 49 o -0.3194000     1.106000      ?             ?      
1 1 1 36 23 50 o 1.065000       1.154000      ?             ?      
1 1 1 36 23 51 o 0.6334000      1.129000      ?             ?      
1 1 1 36 23 52 o -1.396000      1.253000      ?             ?      
1 1 1 36 24 0  o 3.461000       1.373000      310.9987      -0.0   
1 1 1 36 24 1  o 0.6006000      1.113000      130.0112      -62.7  
1 1 1 36 24 2  o 2.972000       1.075000      213.5667      86.9   
1 1 1 36 24 3  o 1.811000       1.088000      166.4654      -149.9 
1 1 1 36 24 4  o 0.3113000      1.086000      111.8556      108.6  
1 1 1 36 24 5  o 1.541000       1.096000      149.9796      -57.3  
1 1 1 36 24 6  o 1.239000       1.130000      90.65547      -64.7  
1 1 1 36 24 7  o 1.251000       1.076000      203.0093      147.6  
1 1 1 36 24 8  o 0.1861000      1.069000      59.02157      138.2  
1 1 1 36 24 9  o 1.905000       1.068000      36.56311      -81.8  
1 1 1 36 24 10 o 0.4842000      1.111000      141.9852      128.3  
1 1 1 36 24 11 o -1.115000      1.111000      76.40902      170.7  
1 1 1 36 24 12 o 1.256000       1.215000      126.4127      154.5  
1 1 1 36 24 13 o 1.465000       1.262000      177.8401      -50.1  
1 1 1 36 24 14 o 4.533000       1.299000      258.4206      29.8   
1 1 1 36 24 15 o 1.104000       1.273000      175.2675      -92.6  
1 1 1 36 24 16 o 1.992000       1.250000      149.1869      -12.9  
1 1 1 36 24 17 o 2.582000       1.234000      88.86543      -47.8  
1 1 1 36 24 18 o 0.7005000      1.231000      74.61635      -176.6 
1 1 1 36 24 19 o 2.337000       1.255000      78.21474      -122.4 
1 1 1 36 24 20 o 1.855000       1.267000      106.0322      -65.2  
1 1 1 36 24 21 o 1.778000       1.207000      83.87548      -85.7  
1 1 1 36 24 22 o 1.006000       1.200000      105.8876      98.8   
1 1 1 36 24 23 o 1.738000       1.197000      102.8869      -7.5   
1 1 1 36 24 24 o -0.2535000     1.247000      151.5548      171.6  
1 1 1 36 24 25 o 0.2974000      1.641000      ?             ?      
1 1 1 36 24 26 o 1.679000       1.632000      ?             ?      
1 1 1 36 24 27 o 1.844000       1.279000      ?             ?      
1 1 1 36 24 28 o 2.317000       1.289000      ?             ?      
1 1 1 36 24 29 o 2.019000       1.273000      ?             ?      
1 1 1 36 24 30 o 1.272000       1.105000      ?             ?      
1 1 1 36 24 31 o 2.872000       1.070000      ?             ?      
1 1 1 36 24 32 o 0.5338000      1.043000      ?             ?      
1 1 1 36 24 33 o 0.2205000      1.012000      ?             ?      
1 1 1 36 24 34 o 0.7480000      1.006000      ?             ?      
1 1 1 36 24 35 o 0.4716000      0.9880000     ?             ?      
1 1 1 36 24 36 o 0.7829000      0.9662000     ?             ?      
1 1 1 36 24 37 o -0.4468000     0.9539000     ?             ?      
1 1 1 36 24 38 o 0.4686000      0.9582000     ?             ?      
1 1 1 36 24 39 o 0.1765000      0.9725000     ?             ?      
1 1 1 36 24 40 o 1.019000       0.9737000     ?             ?      
1 1 1 36 24 41 o -0.3338000E-01 0.9786000     ?             ?      
1 1 1 36 24 42 o 0.7078000      0.9918000     ?             ?      
1 1 1 36 24 43 o 0.7337000      1.177000      ?             ?      
1 1 1 36 24 44 o -0.3768000     1.161000      ?             ?      
1 1 1 36 24 45 o 0.8529000      1.261000      ?             ?      
1 1 1 36 24 46 o -0.1433000     1.127000      ?             ?      
1 1 1 36 24 47 o -1.307000      1.279000      ?             ?      
1 1 1 36 24 48 o -0.7984000     1.248000      ?             ?      
1 1 1 36 24 49 o 0.3847000      1.111000      ?             ?      
1 1 1 36 24 50 o -0.3407000     1.048000      ?             ?      
1 1 1 36 24 51 o 2.267000       1.139000      ?             ?      
1 1 1 36 24 52 o 0.7309000      1.713000      ?             ?      
1 1 1 36 25 0  o -0.6367000     1.384000      7.059865      -180.0 
1 1 1 36 25 1  o 0.4691000      1.102000      260.8144      86.2   
1 1 1 36 25 2  o 0.8777000      1.099000      189.9494      -75.8  
1 1 1 36 25 3  o -0.7010000     1.089000      143.9993      -145.6 
1 1 1 36 25 4  o -1.159000      1.088000      166.0974      -29.3  
1 1 1 36 25 5  o 0.2914000      1.103000      123.1322      -116.8 
1 1 1 36 25 6  o 0.5196000      1.122000      23.12826      -45.1  
1 1 1 36 25 7  o 0.9531000      1.150000      124.4767      -114.0 
1 1 1 36 25 8  o 1.939000       1.081000      163.8623      30.2   
1 1 1 36 25 9  o 0.6999000      1.087000      111.9187      -112.6 
1 1 1 36 25 10 o 2.127000       1.089000      185.9917      -25.2  
1 1 1 36 25 11 o 1.341000       1.093000      15.89576      70.2   
1 1 1 36 25 12 o 0.9128000      1.113000      91.07523      -13.5  
1 1 1 36 25 13 o -1.750000      1.166000      37.99316      157.1  
1 1 1 36 25 14 o 0.2276000      1.194000      132.8413      16.1   
1 1 1 36 25 15 o -0.6451000     1.283000      97.41809      160.9  
1 1 1 36 25 16 o 1.445000       1.664000      245.0656      -30.8  
1 1 1 36 25 17 o -0.2367000     1.417000      15.41268      67.0   
1 1 1 36 25 18 o 0.7227000      1.276000      141.4556      116.4  
1 1 1 36 25 19 o 0.8122000      1.255000      102.1535      -0.5   
1 1 1 36 25 20 o 0.1049000      1.233000      111.5577      -52.3  
1 1 1 36 25 21 o -2.095000      1.211000      34.86803      13.7   
1 1 1 36 25 22 o -0.5551000     1.192000      104.5496      -12.7  
1 1 1 36 25 23 o -0.1683000     1.159000      64.46627      -15.3  
1 1 1 36 25 24 o -1.570000      1.377000      ?             ?      
1 1 1 36 25 25 o -2.933000      1.330000      ?             ?      
1 1 1 36 25 26 o 0.7078000      1.272000      ?             ?      
1 1 1 36 25 27 o -0.9195000     1.258000      ?             ?      
1 1 1 36 25 28 o -0.7866000     1.395000      ?             ?      
1 1 1 36 25 29 o 4.461000       1.411000      ?             ?      
1 1 1 36 25 30 o -1.069000      1.161000      ?             ?      
1 1 1 36 25 31 o -1.773000      1.111000      ?             ?      
1 1 1 36 25 32 o 1.699000       1.129000      ?             ?      
1 1 1 36 25 33 o 0.4251000      1.095000      ?             ?      
1 1 1 36 25 34 o -0.6009000     0.9891000     ?             ?      
1 1 1 36 25 35 o 0.8305000      0.9813000     ?             ?      
1 1 1 36 25 36 o -1.372000      0.9616000     ?             ?      
1 1 1 36 25 37 o 1.442000       0.9579000     ?             ?      
1 1 1 36 25 38 o -0.1591000     0.9658000     ?             ?      
1 1 1 36 25 39 o -0.1595000     0.9629000     ?             ?      
1 1 1 36 25 40 o 0.6750000      0.9732000     ?             ?      
1 1 1 36 25 41 o -1.576000      0.9765000     ?             ?      
1 1 1 36 25 42 o -0.6352000     0.9812000     ?             ?      
1 1 1 36 25 43 o -0.1891000     1.176000      ?             ?      
1 1 1 36 25 44 o -0.7150000     1.172000      ?             ?      
1 1 1 36 25 45 o 1.347000       1.244000      ?             ?      
1 1 1 36 25 46 o -1.372000      1.143000      ?             ?      
1 1 1 36 25 47 o 3.022000       1.508000      ?             ?      
1 1 1 36 25 48 o -0.5857000     1.118000      ?             ?      
1 1 1 36 25 49 o -1.707000      1.083000      ?             ?      
1 1 1 36 25 50 o -0.2319000     1.178000      ?             ?      
1 1 1 36 25 51 o -0.4221000     1.486000      ?             ?      
1 1 1 36 26 0  o 1.765000       1.489000      14.82730      180.0  
1 1 1 36 26 1  o 1.281000       1.125000      198.8063      -50.0  
1 1 1 36 26 2  o 1.873000       1.130000      212.8388      95.3   
1 1 1 36 26 3  o 2.074000       1.112000      98.16477      30.7   
1 1 1 36 26 4  o 0.4101000      1.108000      26.54470      -9.9   
1 1 1 36 26 5  o -0.7547000     1.110000      29.93023      58.4   
1 1 1 36 26 6  o 0.5572000      1.129000      98.21098      91.5   
1 1 1 36 26 7  o 1.537000       1.145000      163.5356      136.8  
1 1 1 36 26 8  o 0.3155000      1.091000      56.83363      -37.7  
1 1 1 36 26 9  o 0.8427000      1.077000      146.4842      74.5   
1 1 1 36 26 10 o -0.7218000     1.095000      53.71052      47.3   
1 1 1 36 26 11 o 1.155000       1.102000      72.45523      57.6   
1 1 1 36 26 12 o 0.3424000      1.129000      55.42666      156.4  
1 1 1 36 26 13 o 2.065000       1.162000      153.6711      -17.3  
1 1 1 36 26 14 o 1.906000       1.187000      117.5081      166.1  
1 1 1 36 26 15 o -0.6305000     1.184000      58.65065      -76.4  
1 1 1 36 26 16 o 0.4518000E-02  1.301000      98.39576      -51.1  
1 1 1 36 26 17 o 1.115000       1.328000      149.2442      53.5   
1 1 1 36 26 18 o 1.134000       1.442000      97.19193      132.2  
1 1 1 36 26 19 o 0.8429000      1.628000      72.30085      -46.1  
1 1 1 36 26 20 o -1.502000      1.377000      93.82688      -27.7  
1 1 1 36 26 21 o -0.1599000     1.233000      33.29030      43.0   
1 1 1 36 26 22 o -1.953000      1.199000      ?             ?      
1 1 1 36 26 23 o -0.7886000     1.285000      ?             ?      
1 1 1 36 26 24 o 2.831000       1.419000      ?             ?      
1 1 1 36 26 25 o 0.9420000      1.386000      ?             ?      
1 1 1 36 26 26 o 0.8534000      1.263000      ?             ?      
1 1 1 36 26 27 o -1.113000      1.265000      ?             ?      
1 1 1 36 26 28 o 1.173000       1.382000      ?             ?      
1 1 1 36 26 29 o 0.7137000      1.346000      ?             ?      
1 1 1 36 26 30 o -1.128000      1.177000      ?             ?      
1 1 1 36 26 31 o -0.1359000     1.125000      ?             ?      
1 1 1 36 26 32 o 0.5921000      1.049000      ?             ?      
1 1 1 36 26 33 o -0.1664000     0.9952000     ?             ?      
1 1 1 36 26 34 o 0.8658000      0.9989000     ?             ?      
1 1 1 36 26 35 o -1.422000      1.068000      ?             ?      
1 1 1 36 26 36 o 0.3262000E-01  1.125000      ?             ?      
1 1 1 36 26 37 o 0.4346000      0.9765000     ?             ?      
1 1 1 36 26 38 o 1.115000       0.9762000     ?             ?      
1 1 1 36 26 39 o -0.4156000     0.9651000     ?             ?      
1 1 1 36 26 40 o 0.2725000      0.9781000     ?             ?      
1 1 1 36 26 41 o 0.4673000      0.9839000     ?             ?      
1 1 1 36 26 42 o -0.4706000E-01 0.9950000     ?             ?      
1 1 1 36 26 43 o 0.5376000      1.182000      ?             ?      
1 1 1 36 26 44 o 2.189000       1.195000      ?             ?      
1 1 1 36 26 45 o 3.575000       1.330000      ?             ?      
1 1 1 36 26 46 o 2.473000       1.293000      ?             ?      
1 1 1 36 26 47 o -1.529000      1.473000      ?             ?      
1 1 1 36 26 48 o 0.7245000E-01  1.238000      ?             ?      
1 1 1 36 26 49 o -0.6256000     1.091000      ?             ?      
1 1 1 36 26 50 o -1.422000      1.509000      ?             ?      
1 1 1 36 26 51 o 3.283000       3.027000      ?             ?      
1 1 1 36 27 0  o -0.7574000     1.517000      28.03298      0.0    
1 1 1 36 27 1  o 1.650000       1.114000      189.5640      147.4  
1 1 1 36 27 2  o 1.914000       1.137000      167.7511      -80.0  
1 1 1 36 27 3  o 0.4406000      1.127000      102.2482      -156.8 
1 1 1 36 27 4  o 0.3568000      1.130000      68.23364      -18.3  
1 1 1 36 27 5  o -1.449000      1.160000      126.6395      -165.9 
1 1 1 36 27 6  o 1.769000       1.166000      86.88685      164.1  
1 1 1 36 27 7  o -1.213000      1.192000      53.67780      101.1  
1 1 1 36 27 8  o -1.100000      1.156000      42.71233      102.5  
1 1 1 36 27 9  o -1.889000      1.087000      16.44086      8.3    
1 1 1 36 27 10 o -0.4742000E-02 1.118000      116.1653      -89.9  
1 1 1 36 27 11 o -0.1280000     1.126000      84.07338      -133.9 
1 1 1 36 27 12 o -0.9174000     1.138000      61.39084      -89.0  
1 1 1 36 27 13 o 0.2371000E-01  1.160000      68.12082      -98.3  
1 1 1 36 27 14 o 0.7998000      1.176000      37.36471      78.0   
1 1 1 36 27 15 o 0.3353000      1.178000      86.49381      -137.6 
1 1 1 36 27 16 o -0.4029000     1.295000      104.7510      27.9   
1 1 1 36 27 17 f -0.5170000E-01 1.295000      3.637442      133.0  
1 1 1 36 27 18 o -0.8287000     1.317000      110.2344      91.2   
1 1 1 36 27 19 o -0.6397000E-01 1.295000      65.58990      -68.1  
1 1 1 36 27 20 o 0.5575000      1.270000      54.67180      171.8  
1 1 1 36 27 21 o -1.854000      1.339000      ?             ?      
1 1 1 36 27 22 o 1.645000       1.483000      ?             ?      
1 1 1 36 27 23 o 2.300000       1.481000      ?             ?      
1 1 1 36 27 24 o 1.533000       1.436000      ?             ?      
1 1 1 36 27 25 o 0.8772000      1.249000      ?             ?      
1 1 1 36 27 26 o -3.323000      1.263000      ?             ?      
1 1 1 36 27 27 o -0.7898000     1.410000      ?             ?      
1 1 1 36 27 28 o 1.765000       1.360000      ?             ?      
1 1 1 36 27 29 o 0.6033000      1.345000      ?             ?      
1 1 1 36 27 30 o -0.5744000E-01 1.158000      ?             ?      
1 1 1 36 27 31 o -0.1132000     1.132000      ?             ?      
1 1 1 36 27 32 o -0.3971000     1.016000      ?             ?      
1 1 1 36 27 33 o 0.3240000      0.9757000     ?             ?      
1 1 1 36 27 34 o -1.479000      1.018000      ?             ?      
1 1 1 36 27 35 o 1.104000       1.023000      ?             ?      
1 1 1 36 27 36 o 1.720000       0.9947000     ?             ?      
1 1 1 36 27 37 o 0.3236000      0.9964000     ?             ?      
1 1 1 36 27 38 o -0.4320000E-01 1.068000      ?             ?      
1 1 1 36 27 39 o 1.447000       1.066000      ?             ?      
1 1 1 36 27 40 o -0.1870000E-01 0.9750000     ?             ?      
1 1 1 36 27 41 o 1.051000       0.9830000     ?             ?      
1 1 1 36 27 42 o 0.5959000      0.9892000     ?             ?      
1 1 1 36 27 43 o -0.1376000     1.006000      ?             ?      
1 1 1 36 27 44 o -0.4325000     1.186000      ?             ?      
1 1 1 36 27 45 o -1.779000      1.354000      ?             ?      
1 1 1 36 27 46 o -0.5590000     1.822000      ?             ?      
1 1 1 36 27 47 o -2.103000      1.442000      ?             ?      
1 1 1 36 27 48 o -1.811000      1.244000      ?             ?      
1 1 1 36 27 49 o 0.2961000      1.055000      ?             ?      
1 1 1 36 27 50 o -0.5572000     1.316000      ?             ?      
1 1 1 36 28 0  o 1.702000       1.835000      252.2890      0.0    
1 1 1 36 28 1  f 0.1493000      1.101000      77.88754      -3.2   
1 1 1 36 28 2  o 3.470000       1.116000      80.43813      175.0  
1 1 1 36 28 3  o -0.3647000     1.117000      94.66109      32.6   
1 1 1 36 28 4  o -0.8506000     1.123000      15.32002      -34.5  
1 1 1 36 28 5  o -0.6887000     1.155000      96.18300      171.5  
1 1 1 36 28 6  o 0.4236000E-01  1.194000      34.12231      23.1   
1 1 1 36 28 7  o -0.1124000     1.186000      84.55096      173.3  
1 1 1 36 28 8  o -0.4055000     1.189000      82.39278      31.9   
1 1 1 36 28 9  o -0.6212000     1.200000      123.3661      22.9   
1 1 1 36 28 10 o 1.519000       1.127000      80.03738      -26.5  
1 1 1 36 28 11 o 1.709000       1.140000      84.02412      -17.5  
1 1 1 36 28 12 o 1.401000       1.158000      32.48158      -80.5  
1 1 1 36 28 13 o 0.3965000      1.152000      48.83317      28.8   
1 1 1 36 28 14 o -1.068000      1.161000      25.80702      177.1  
1 1 1 36 28 15 o 0.6625000      1.176000      21.34790      -73.8  
1 1 1 36 28 16 o 0.4176000      1.191000      107.2195      -120.0 
1 1 1 36 28 17 o -0.2272000     1.281000      66.09160      130.6  
1 1 1 36 28 18 o -0.7025000     1.281000      13.86400      152.6  
1 1 1 36 28 19 o -2.219000      1.250000      ?             ?      
1 1 1 36 28 20 o -1.205000      1.262000      ?             ?      
1 1 1 36 28 21 o -2.834000      1.277000      ?             ?      
1 1 1 36 28 22 o -1.284000      1.586000      ?             ?      
1 1 1 36 28 23 o -2.787000      1.459000      ?             ?      
1 1 1 36 28 24 o -0.8111000     1.280000      ?             ?      
1 1 1 36 28 25 o -0.5969000     1.301000      ?             ?      
1 1 1 36 28 26 o -0.4857000     1.438000      ?             ?      
1 1 1 36 28 27 o 0.5242000      1.421000      ?             ?      
1 1 1 36 28 28 o 0.2552000      1.370000      ?             ?      
1 1 1 36 28 29 o -0.2270000     1.152000      ?             ?      
1 1 1 36 28 30 o -0.6719000     1.134000      ?             ?      
1 1 1 36 28 31 o 0.2726000      1.116000      ?             ?      
1 1 1 36 28 32 o 1.033000       1.122000      ?             ?      
1 1 1 36 28 33 o 0.9027000E-01  1.135000      ?             ?      
1 1 1 36 28 34 o 0.3106000      0.9659000     ?             ?      
1 1 1 36 28 35 o 1.004000       0.9703000     ?             ?      
1 1 1 36 28 36 o 1.899000       0.9858000     ?             ?      
1 1 1 36 28 37 o -0.2742000     1.028000      ?             ?      
1 1 1 36 28 38 o -1.771000      1.017000      ?             ?      
1 1 1 36 28 39 o -0.2510000     0.9841000     ?             ?      
1 1 1 36 28 40 o -0.7600000     0.9848000     ?             ?      
1 1 1 36 28 41 o 0.2879000      1.072000      ?             ?      
1 1 1 36 28 42 o -0.1721000     1.085000      ?             ?      
1 1 1 36 28 43 o -0.5565000     1.014000      ?             ?      
1 1 1 36 28 44 f -0.3231000E-01 2.145000      ?             ?      
1 1 1 36 28 45 o -2.255000      1.844000      ?             ?      
1 1 1 36 28 46 o -1.617000      2.295000      ?             ?      
1 1 1 36 28 47 o 0.3176000      1.158000      ?             ?      
1 1 1 36 28 48 o 0.5147000      1.125000      ?             ?      
1 1 1 36 28 49 o 1.892000       1.097000      ?             ?      
1 1 1 36 29 0  o -0.9544000     1.758000      5.047091      0.0    
1 1 1 36 29 1  o 0.1621000E-01  1.080000      96.58029      112.9  
1 1 1 36 29 2  f -0.4458000     1.085000      81.68072      -93.2  
1 1 1 36 29 3  o -0.6310000     1.095000      86.51667      4.9    
1 1 1 36 29 4  o -0.8172000     1.246000      89.21480      -123.9 
1 1 1 36 29 5  o 1.690000       1.169000      121.4704      161.9  
1 1 1 36 29 6  o 0.7657000      1.153000      23.17314      -104.2 
1 1 1 36 29 7  o 0.9380000      1.190000      88.81680      84.6   
1 1 1 36 29 8  o -0.2054000     1.194000      37.45270      73.4   
1 1 1 36 29 9  o -0.4034000     1.191000      49.44591      86.3   
1 1 1 36 29 10 o 0.5677000      1.224000      50.28106      -155.8 
1 1 1 36 29 11 o -1.277000      1.144000      44.04705      176.4  
1 1 1 36 29 12 o 2.885000       1.171000      44.31635      141.8  
1 1 1 36 29 13 o -0.7323000     1.161000      27.86609      -40.0  
1 1 1 36 29 14 o -0.5191000     1.178000      76.63052      -86.2  
1 1 1 36 29 15 o -0.7882000     1.171000      93.96200      -32.2  
1 1 1 36 29 16 o -0.1732000     1.176000      ?             ?      
1 1 1 36 29 17 o 2.567000       1.263000      ?             ?      
1 1 1 36 29 18 o -0.6226000     1.237000      ?             ?      
1 1 1 36 29 19 o -2.204000      1.252000      ?             ?      
1 1 1 36 29 20 o 0.3985000      1.251000      ?             ?      
1 1 1 36 29 21 o -0.3214000     1.414000      ?             ?      
1 1 1 36 29 22 o 2.447000       1.601000      ?             ?      
1 1 1 36 29 23 o -0.5040000     1.579000      ?             ?      
1 1 1 36 29 24 o 0.4575000E-01  1.334000      ?             ?      
1 1 1 36 29 25 o 0.1094000      1.288000      ?             ?      
1 1 1 36 29 26 o -0.5035000     1.481000      ?             ?      
1 1 1 36 29 27 o 0.3047000E-02  1.425000      ?             ?      
1 1 1 36 29 28 o 1.292000       1.671000      ?             ?      
1 1 1 36 29 29 o 0.3189000      1.297000      ?             ?      
1 1 1 36 29 30 o 0.2376000      1.156000      ?             ?      
1 1 1 36 29 31 o -1.797000      1.107000      ?             ?      
1 1 1 36 29 32 o -0.8113000E-01 1.113000      ?             ?      
1 1 1 36 29 33 o -0.2257000     1.101000      ?             ?      
1 1 1 36 29 34 o -0.1520000     1.139000      ?             ?      
1 1 1 36 29 35 o -0.1436000E-01 0.9701000     ?             ?      
1 1 1 36 29 36 o -0.6679000     0.9712000     ?             ?      
1 1 1 36 29 37 o -0.2202000     0.9792000     ?             ?      
1 1 1 36 29 38 o 0.3436000E-01  0.9781000     ?             ?      
1 1 1 36 29 39 o -2.500000      0.9830000     ?             ?      
1 1 1 36 29 40 o -0.9399000     1.025000      ?             ?      
1 1 1 36 29 41 o -1.159000      1.211000      ?             ?      
1 1 1 36 29 42 o 0.2385000      1.254000      ?             ?      
1 1 1 36 29 43 o 0.6343000      1.168000      ?             ?      
1 1 1 36 29 44 o 1.280000       1.375000      ?             ?      
1 1 1 36 29 45 o 0.1191000      1.361000      ?             ?      
1 1 1 36 29 46 o -0.1115000     1.475000      ?             ?      
1 1 1 36 29 47 o 0.3070000      1.157000      ?             ?      
1 1 1 36 29 48 o 2.110000       1.377000      ?             ?      
1 1 1 36 30 0  o 0.6956000      1.461000      2.310105      180.0  
1 1 1 36 30 1  o -0.8857000     1.063000      40.19184      134.1  
1 1 1 36 30 2  o -0.2568000     1.077000      18.94568      22.2   
1 1 1 36 30 3  o 0.8631000E-01  1.098000      62.61348      -10.8  
1 1 1 36 30 4  o 0.5434000      1.126000      0.5086843     89.0   
1 1 1 36 30 5  o -3.156000      1.178000      42.98858      -64.8  
1 1 1 36 30 6  o -0.1040000     1.152000      16.59072      141.9  
1 1 1 36 30 7  o 0.7643000      1.193000      38.20631      -165.0 
1 1 1 36 30 8  o -2.145000      1.194000      23.59779      -48.9  
1 1 1 36 30 9  o 0.6596000      1.215000      22.07557      -54.0  
1 1 1 36 30 10 o 1.183000       1.230000      60.62788      -94.7  
1 1 1 36 30 11 o 0.9963000      1.264000      40.37946      40.0   
1 1 1 36 30 12 o 0.6976000      1.159000      74.82513      41.7   
1 1 1 36 30 13 o 0.5708000      1.162000      56.98796      9.3    
1 1 1 36 30 14 o -0.2508000     1.161000      ?             ?      
1 1 1 36 30 15 o -0.1343000     1.156000      ?             ?      
1 1 1 36 30 16 o -2.103000      1.144000      ?             ?      
1 1 1 36 30 17 o 0.5248000      1.240000      ?             ?      
1 1 1 36 30 18 o -0.8720000     1.258000      ?             ?      
1 1 1 36 30 19 o -1.281000      1.250000      ?             ?      
1 1 1 36 30 20 o -1.017000      1.399000      ?             ?      
1 1 1 36 30 21 o -0.5717000     1.613000      ?             ?      
1 1 1 36 30 22 o -1.912000      1.603000      ?             ?      
1 1 1 36 30 23 o -1.020000      1.351000      ?             ?      
1 1 1 36 30 24 o 0.2492000      1.395000      ?             ?      
1 1 1 36 30 25 o -1.529000      1.334000      ?             ?      
1 1 1 36 30 26 o -0.1651000     1.472000      ?             ?      
1 1 1 36 30 27 o 2.961000       1.447000      ?             ?      
1 1 1 36 30 28 o 1.363000       1.222000      ?             ?      
1 1 1 36 30 29 o 0.8318000      1.188000      ?             ?      
1 1 1 36 30 30 o -1.448000      1.161000      ?             ?      
1 1 1 36 30 31 o 0.6922000      1.287000      ?             ?      
1 1 1 36 30 32 o 0.8952000      1.254000      ?             ?      
1 1 1 36 30 33 o -0.1005000     1.107000      ?             ?      
1 1 1 36 30 34 o 0.3970000      1.140000      ?             ?      
1 1 1 36 30 35 o 0.8416000      1.164000      ?             ?      
1 1 1 36 30 36 o -1.178000      0.9813000     ?             ?      
1 1 1 36 30 37 o -0.5094000     0.9670000     ?             ?      
1 1 1 36 30 38 o 1.119000       0.9911000     ?             ?      
1 1 1 36 30 39 o -0.8790000     1.165000      ?             ?      
1 1 1 36 30 40 o -1.358000      1.174000      ?             ?      
1 1 1 36 30 41 o -0.5444000     1.063000      ?             ?      
1 1 1 36 30 42 o 0.6417000      1.015000      ?             ?      
1 1 1 36 30 43 o 1.232000       1.105000      ?             ?      
1 1 1 36 30 44 o 1.307000       1.563000      ?             ?      
1 1 1 36 30 45 o -0.3817000     2.155000      ?             ?      
1 1 1 36 30 46 o -1.224000      1.311000      ?             ?      
1 1 1 36 30 47 o -0.9231000     1.257000      ?             ?      
1 1 1 36 30 48 o -1.506000      2.684000      ?             ?      
1 1 1 36 31 0  o 0.7787000      1.422000      56.38325      180.0  
1 1 1 36 31 1  o -1.041000      1.056000      32.08730      37.9   
1 1 1 36 31 2  o -0.6464000     1.072000      54.42660      -8.5   
1 1 1 36 31 3  o 0.7184000      1.097000      1.597349      -138.9 
1 1 1 36 31 4  o 0.7979000      1.119000      83.57662      -160.6 
1 1 1 36 31 5  o 0.2935000      1.136000      32.87350      164.2  
1 1 1 36 31 6  o -0.8781000     1.153000      31.87420      6.6    
1 1 1 36 31 7  o -0.8950000E-01 1.187000      37.13911      131.3  
1 1 1 36 31 8  o -0.2821000     1.201000      20.79219      -2.5   
1 1 1 36 31 9  o 0.4713000      1.209000      22.53241      150.4  
1 1 1 36 31 10 o 0.4436000      1.230000      ?             ?      
1 1 1 36 31 11 o -1.225000      1.234000      ?             ?      
1 1 1 36 31 12 o -0.2563000E-01 1.231000      ?             ?      
1 1 1 36 31 13 o -0.8390000     1.124000      ?             ?      
1 1 1 36 31 14 o -0.3446000     1.127000      ?             ?      
1 1 1 36 31 15 o -2.795000      1.128000      ?             ?      
1 1 1 36 31 16 o 0.3713000E-01  1.134000      ?             ?      
1 1 1 36 31 17 o -0.9810000     1.270000      ?             ?      
1 1 1 36 31 18 o 0.1158000      1.253000      ?             ?      
1 1 1 36 31 19 o 0.3525000      1.249000      ?             ?      
1 1 1 36 31 20 o -3.478000      1.626000      ?             ?      
1 1 1 36 31 21 o -3.597000      1.604000      ?             ?      
1 1 1 36 31 22 o 0.5093000      1.384000      ?             ?      
1 1 1 36 31 23 o 1.628000       1.354000      ?             ?      
1 1 1 36 31 24 o 0.4848000      1.352000      ?             ?      
1 1 1 36 31 25 o -1.708000      1.558000      ?             ?      
1 1 1 36 31 26 o 0.1841000      1.494000      ?             ?      
1 1 1 36 31 27 o 0.3838000      1.448000      ?             ?      
1 1 1 36 31 28 f -0.5451000     1.209000      ?             ?      
1 1 1 36 31 29 o -0.8365000     1.202000      ?             ?      
1 1 1 36 31 30 o -0.3275000     1.179000      ?             ?      
1 1 1 36 31 31 o -0.3399000     1.150000      ?             ?      
1 1 1 36 31 32 o 0.4341000      1.149000      ?             ?      
1 1 1 36 31 33 o -0.5753000     1.148000      ?             ?      
1 1 1 36 31 34 o -1.379000      1.286000      ?             ?      
1 1 1 36 31 35 o 0.3146000E-01  1.292000      ?             ?      
1 1 1 36 31 36 o -0.9940000     1.190000      ?             ?      
1 1 1 36 31 37 o -3.206000      1.172000      ?             ?      
1 1 1 36 31 38 o -0.9172000E-01 1.045000      ?             ?      
1 1 1 36 31 39 o 1.126000       1.065000      ?             ?      
1 1 1 36 31 40 o -0.1248000     1.009000      ?             ?      
1 1 1 36 31 41 o -1.140000      1.019000      ?             ?      
1 1 1 36 31 42 o 0.3644000      1.064000      ?             ?      
1 1 1 36 31 43 o -1.327000      1.072000      ?             ?      
1 1 1 36 31 44 o -1.880000      1.210000      ?             ?      
1 1 1 36 31 45 o -0.8917000     1.280000      ?             ?      
1 1 1 36 31 46 o -0.1719000     1.300000      ?             ?      
1 1 1 36 31 47 o -0.5768000     1.523000      ?             ?      
1 1 1 36 32 0  o -2.783000      1.397000      35.23354      180.0  
1 1 1 36 32 1  o 0.2929000      1.056000      8.772469      -16.9  
1 1 1 36 32 2  o -0.4180000     1.066000      9.280628      -20.9  
1 1 1 36 32 3  o -1.150000      1.116000      42.31960      -69.3  
1 1 1 36 32 4  o 0.2002000      1.096000      ?             ?      
1 1 1 36 32 5  o -1.917000      1.127000      ?             ?      
1 1 1 36 32 6  o -1.082000      1.148000      ?             ?      
1 1 1 36 32 7  o -0.4111000     1.183000      ?             ?      
1 1 1 36 32 8  o 0.1654000      1.196000      ?             ?      
1 1 1 36 32 9  o -0.9814000     1.192000      ?             ?      
1 1 1 36 32 10 o 0.1984000      1.184000      ?             ?      
1 1 1 36 32 11 o 0.5839000      1.197000      ?             ?      
1 1 1 36 32 12 o -0.4487000     1.200000      ?             ?      
1 1 1 36 32 13 o -0.2645000     1.207000      ?             ?      
1 1 1 36 32 14 o 1.642000       1.109000      ?             ?      
1 1 1 36 32 15 o 0.1411000      1.123000      ?             ?      
1 1 1 36 32 16 o -3.319000      1.139000      ?             ?      
1 1 1 36 32 17 o -0.4154000     1.236000      ?             ?      
1 1 1 36 32 18 o 0.5755000      1.256000      ?             ?      
1 1 1 36 32 19 o -0.4841000     1.615000      ?             ?      
1 1 1 36 32 20 o 1.577000       1.611000      ?             ?      
1 1 1 36 32 21 o -0.4201000     1.587000      ?             ?      
1 1 1 36 32 22 o -0.3602000     1.249000      ?             ?      
1 1 1 36 32 23 o 2.210000       1.400000      ?             ?      
1 1 1 36 32 24 o -0.2905000     1.365000      ?             ?      
1 1 1 36 32 25 o 1.046000       1.568000      ?             ?      
1 1 1 36 32 26 o -0.3460000E-01 1.517000      ?             ?      
1 1 1 36 32 27 o -0.8023000     1.273000      ?             ?      
1 1 1 36 32 28 o -0.3363000     1.247000      ?             ?      
1 1 1 36 32 29 o -0.6753000     1.183000      ?             ?      
1 1 1 36 32 30 o -0.1476000     1.168000      ?             ?      
1 1 1 36 32 31 o -0.8575000     1.151000      ?             ?      
1 1 1 36 32 32 o -1.276000      1.164000      ?             ?      
1 1 1 36 32 33 o 1.333000       1.179000      ?             ?      
1 1 1 36 32 34 o -0.5507000     1.175000      ?             ?      
1 1 1 36 32 35 o 0.8747000      1.200000      ?             ?      
1 1 1 36 32 36 o 0.3346000      1.215000      ?             ?      
1 1 1 36 32 37 o -0.4922000     1.364000      ?             ?      
1 1 1 36 32 38 o -1.000000      1.081000      ?             ?      
1 1 1 36 32 39 o 1.100000       1.013000      ?             ?      
1 1 1 36 32 40 o -1.241000      1.008000      ?             ?      
1 1 1 36 32 41 o -0.8563000     1.019000      ?             ?      
1 1 1 36 32 42 o 0.6085000      1.079000      ?             ?      
1 1 1 36 32 43 o -0.3400000     1.214000      ?             ?      
1 1 1 36 32 44 o -0.1617000     1.212000      ?             ?      
1 1 1 36 32 45 o -1.444000      1.271000      ?             ?      
1 1 1 36 32 46 o -0.3040000     1.322000      ?             ?      
1 1 1 36 33 0  o -0.8924000     1.364000      ?             ?      
1 1 1 36 33 1  o 1.616000       1.095000      ?             ?      
1 1 1 36 33 2  o -0.8823000     1.061000      ?             ?      
1 1 1 36 33 3  o -1.010000      1.092000      ?             ?      
1 1 1 36 33 4  o -0.3349000     1.078000      ?             ?      
1 1 1 36 33 5  o 0.5963000      1.099000      ?             ?      
1 1 1 36 33 6  o -2.579000      1.120000      ?             ?      
1 1 1 36 33 7  o 0.3889000      1.153000      ?             ?      
1 1 1 36 33 8  o -0.1337000     1.158000      ?             ?      
1 1 1 36 33 9  o 0.5866000      1.166000      ?             ?      
1 1 1 36 33 10 o 0.5437000      1.177000      ?             ?      
1 1 1 36 33 11 o -0.4670000     1.174000      ?             ?      
1 1 1 36 33 12 o -0.1016000E-01 1.174000      ?             ?      
1 1 1 36 33 13 o -0.9570000     1.186000      ?             ?      
1 1 1 36 33 14 o -0.5339000     1.198000      ?             ?      
1 1 1 36 33 15 o -0.1880000     1.116000      ?             ?      
1 1 1 36 33 16 o 0.6101000      1.116000      ?             ?      
1 1 1 36 33 17 o 0.8138000E-01  1.214000      ?             ?      
1 1 1 36 33 18 o -0.2694000     1.377000      ?             ?      
1 1 1 36 33 19 o -0.3791000     1.609000      ?             ?      
1 1 1 36 33 20 o -0.1378000     1.599000      ?             ?      
1 1 1 36 33 21 o -1.308000      1.258000      ?             ?      
1 1 1 36 33 22 o 0.4224000E-01  1.232000      ?             ?      
1 1 1 36 33 23 o -1.427000      1.366000      ?             ?      
1 1 1 36 33 24 o -1.144000      1.371000      ?             ?      
1 1 1 36 33 25 o 0.3681000      1.529000      ?             ?      
1 1 1 36 33 26 o 0.6769000      1.514000      ?             ?      
1 1 1 36 33 27 f 0.5704000      1.278000      ?             ?      
1 1 1 36 33 28 o -1.291000      1.260000      ?             ?      
1 1 1 36 33 29 o -1.006000      1.230000      ?             ?      
1 1 1 36 33 30 o 0.9342000      1.205000      ?             ?      
1 1 1 36 33 31 o 0.3868000      1.180000      ?             ?      
1 1 1 36 33 32 o -0.1794000     1.183000      ?             ?      
1 1 1 36 33 33 o 1.355000       2.129000      ?             ?      
1 1 1 36 33 34 o 0.9552000E-01  1.207000      ?             ?      
1 1 1 36 33 35 o -0.7597000     1.175000      ?             ?      
1 1 1 36 33 36 o -0.8340000     1.171000      ?             ?      
1 1 1 36 33 37 o -1.175000      1.166000      ?             ?      
1 1 1 36 33 38 o -1.185000      1.194000      ?             ?      
1 1 1 36 33 39 o 0.2107000      1.045000      ?             ?      
1 1 1 36 33 40 o 0.8645000      1.055000      ?             ?      
1 1 1 36 33 41 o 0.4516000E-01  1.069000      ?             ?      
1 1 1 36 33 42 o 0.9770000      1.126000      ?             ?      
1 1 1 36 33 43 o -0.9083000     1.435000      ?             ?      
1 1 1 36 33 44 o 0.7345000      1.356000      ?             ?      
1 1 1 36 33 45 o -0.3926000     1.308000      ?             ?      
1 1 1 36 34 0  o 0.7508000      1.343000      ?             ?      
1 1 1 36 34 1  o 1.573000       1.098000      ?             ?      
1 1 1 36 34 2  o 2.430000       1.761000      ?             ?      
1 1 1 36 34 3  o 0.6475000E-01  1.060000      ?             ?      
1 1 1 36 34 4  o -2.363000      1.062000      ?             ?      
1 1 1 36 34 5  o -0.4152000     1.081000      ?             ?      
1 1 1 36 34 6  o -0.4838000     1.101000      ?             ?      
1 1 1 36 34 7  o 0.3507000      1.123000      ?             ?      
1 1 1 36 34 8  o -0.7647000     1.146000      ?             ?      
1 1 1 36 34 9  o 1.515000       1.157000      ?             ?      
1 1 1 36 34 10 o 0.6380000      1.160000      ?             ?      
1 1 1 36 34 11 o 0.6605000      1.162000      ?             ?      
1 1 1 36 34 12 o 1.260000       1.168000      ?             ?      
1 1 1 36 34 13 o 0.5621000E-01  1.178000      ?             ?      
1 1 1 36 34 14 o -1.220000      1.198000      ?             ?      
1 1 1 36 34 15 o -0.8600000     1.208000      ?             ?      
1 1 1 36 34 16 o -1.970000      1.094000      ?             ?      
1 1 1 36 34 17 o 1.370000       1.228000      ?             ?      
1 1 1 36 34 18 o -1.356000      1.578000      ?             ?      
1 1 1 36 34 19 o 2.117000       1.608000      ?             ?      
1 1 1 36 34 20 o -0.1602000     1.381000      ?             ?      
1 1 1 36 34 21 o 0.4999000      1.234000      ?             ?      
1 1 1 36 34 22 o -0.1065000     1.246000      ?             ?      
1 1 1 36 34 23 o -2.385000      1.359000      ?             ?      
1 1 1 36 34 24 o -1.886000      1.583000      ?             ?      
1 1 1 36 34 25 o -0.4176000     1.540000      ?             ?      
1 1 1 36 34 26 o 0.4995000      1.320000      ?             ?      
1 1 1 36 34 27 o 0.6020000E-02  1.285000      ?             ?      
1 1 1 36 34 28 o 1.915000       1.289000      ?             ?      
1 1 1 36 34 29 o 1.571000       1.252000      ?             ?      
1 1 1 36 34 30 o -1.403000      1.212000      ?             ?      
1 1 1 36 34 31 o 0.6314000      1.249000      ?             ?      
1 1 1 36 34 32 o -0.6783000     1.230000      ?             ?      
1 1 1 36 34 33 o 0.2956000      1.181000      ?             ?      
1 1 1 36 34 34 o -0.1012000E-01 1.181000      ?             ?      
1 1 1 36 34 35 o -0.4085000     1.180000      ?             ?      
1 1 1 36 34 36 o 0.3886000      1.173000      ?             ?      
1 1 1 36 34 37 o 1.943000       1.176000      ?             ?      
1 1 1 36 34 38 o 1.309000       1.183000      ?             ?      
1 1 1 36 34 39 o 0.3082000      1.188000      ?             ?      
1 1 1 36 34 40 o -1.768000      1.398000      ?             ?      
1 1 1 36 34 41 o -0.8644000     1.211000      ?             ?      
1 1 1 36 34 42 o 0.7136000      1.312000      ?             ?      
1 1 1 36 34 43 o -1.654000      1.332000      ?             ?      
1 1 1 36 34 44 o -0.2075000E-01 1.452000      ?             ?      
1 1 1 36 35 0  o -0.9119000     1.335000      ?             ?      
1 1 1 36 35 1  o -1.785000      1.068000      ?             ?      
1 1 1 36 35 2  o -0.4614000     1.027000      ?             ?      
1 1 1 36 35 3  o 0.6575000      1.043000      ?             ?      
1 1 1 36 35 4  o 0.5588000      1.070000      ?             ?      
1 1 1 36 35 5  o 0.5589000      1.096000      ?             ?      
1 1 1 36 35 6  o -0.9140000     1.112000      ?             ?      
1 1 1 36 35 7  o 0.5283000      1.126000      ?             ?      
1 1 1 36 35 8  o -0.6944000     1.131000      ?             ?      
1 1 1 36 35 9  o -0.9321000     1.136000      ?             ?      
1 1 1 36 35 10 o -0.6841000E-01 1.147000      ?             ?      
1 1 1 36 35 11 o -0.8743000     1.150000      ?             ?      
1 1 1 36 35 12 o 0.7360000      1.173000      ?             ?      
1 1 1 36 35 13 o -0.6645000     1.177000      ?             ?      
1 1 1 36 35 14 o -2.052000      1.199000      ?             ?      
1 1 1 36 35 15 o -0.9311000     1.182000      ?             ?      
1 1 1 36 35 16 o -0.6004000     1.200000      ?             ?      
1 1 1 36 35 17 o -0.8426000     1.578000      ?             ?      
1 1 1 36 35 18 o -0.3122000     1.593000      ?             ?      
1 1 1 36 35 19 o -0.4825000     1.603000      ?             ?      
1 1 1 36 35 20 o -1.494000      1.214000      ?             ?      
1 1 1 36 35 21 o -0.2699000     1.211000      ?             ?      
1 1 1 36 35 22 o -0.1805000E-01 1.222000      ?             ?      
1 1 1 36 35 23 o 1.178000       1.393000      ?             ?      
1 1 1 36 35 24 o 0.4957000      1.579000      ?             ?      
1 1 1 36 35 25 o -2.081000      1.547000      ?             ?      
1 1 1 36 35 26 o 3.064000       1.312000      ?             ?      
1 1 1 36 35 27 o 1.459000       1.291000      ?             ?      
1 1 1 36 35 28 o -0.5831000     1.268000      ?             ?      
1 1 1 36 35 29 o 1.311000       1.275000      ?             ?      
1 1 1 36 35 30 o 0.4039000E-01  1.292000      ?             ?      
1 1 1 36 35 31 o 0.2757000E-01  1.229000      ?             ?      
1 1 1 36 35 32 o -0.8000000     1.222000      ?             ?      
1 1 1 36 35 33 o -1.290000      1.221000      ?             ?      
1 1 1 36 35 34 o -0.3651000     1.200000      ?             ?      
1 1 1 36 35 35 o -0.4862000     1.196000      ?             ?      
1 1 1 36 35 36 o -0.5478000     1.201000      ?             ?      
1 1 1 36 35 37 o -1.336000      1.227000      ?             ?      
1 1 1 36 35 38 o -0.5899000     1.268000      ?             ?      
1 1 1 36 35 39 o -0.8598000     1.225000      ?             ?      
1 1 1 36 35 40 o 0.9415000      2.172000      ?             ?      
1 1 1 36 35 41 o -1.192000      1.336000      ?             ?      
1 1 1 36 35 42 o 2.101000       1.219000      ?             ?      
1 1 1 36 35 43 o -0.9879000E-01 1.347000      ?             ?      
1 1 1 36 36 0  o -0.1390000     1.322000      ?             ?      
1 1 1 36 36 1  o -0.3762000     0.9679000     ?             ?      
1 1 1 36 36 2  o -0.3556000     1.021000      ?             ?      
1 1 1 36 36 3  o -0.2974000E-01 1.027000      ?             ?      
1 1 1 36 36 4  o -0.2060000     1.051000      ?             ?      
1 1 1 36 36 5  o -0.1772000     1.071000      ?             ?      
1 1 1 36 36 6  o 0.4823000      1.088000      ?             ?      
1 1 1 36 36 7  o -0.3002000     1.097000      ?             ?      
1 1 1 36 36 8  o -1.215000      1.130000      ?             ?      
1 1 1 36 36 9  o 1.227000       1.148000      ?             ?      
1 1 1 36 36 10 o -1.671000      1.143000      ?             ?      
1 1 1 36 36 11 o -0.6498000     1.152000      ?             ?      
1 1 1 36 36 12 o -0.9225000     1.167000      ?             ?      
1 1 1 36 36 13 o 0.7371000E-01  1.187000      ?             ?      
1 1 1 36 36 14 o -0.7825000     1.165000      ?             ?      
1 1 1 36 36 15 o -1.515000      1.185000      ?             ?      
1 1 1 36 36 16 o 0.1348000      1.612000      ?             ?      
1 1 1 36 36 17 o 1.612000       2.084000      ?             ?      
1 1 1 36 36 18 o -0.7457000     1.593000      ?             ?      
1 1 1 36 36 19 o 1.682000       1.237000      ?             ?      
1 1 1 36 36 20 o -0.4586000     1.208000      ?             ?      
1 1 1 36 36 21 o 1.457000       1.231000      ?             ?      
1 1 1 36 36 22 o -0.1307000     1.231000      ?             ?      
1 1 1 36 36 23 o 1.289000       1.612000      ?             ?      
1 1 1 36 36 24 o 1.346000       1.585000      ?             ?      
1 1 1 36 36 25 o 0.6303000E-01  1.333000      ?             ?      
1 1 1 36 36 26 o 1.393000       1.309000      ?             ?      
1 1 1 36 36 27 o 0.2324000      1.309000      ?             ?      
1 1 1 36 36 28 o -1.838000      1.266000      ?             ?      
1 1 1 36 36 29 o 2.624000       1.347000      ?             ?      
1 1 1 36 36 30 o 1.191000       1.282000      ?             ?      
1 1 1 36 36 31 o -0.8807000     1.278000      ?             ?      
1 1 1 36 36 32 o 0.1636000      1.232000      ?             ?      
1 1 1 36 36 33 o 1.459000       1.242000      ?             ?      
1 1 1 36 36 34 o 1.265000       1.246000      ?             ?      
1 1 1 36 36 35 o 0.7714000      1.286000      ?             ?      
1 1 1 36 36 36 o -0.6509000     1.293000      ?             ?      
1 1 1 36 36 37 o -0.1351000     1.263000      ?             ?      
1 1 1 36 36 38 o 1.948000       1.551000      ?             ?      
1 1 1 36 36 39 o 1.267000       1.414000      ?             ?      
1 1 1 36 36 40 o 0.6088000      1.415000      ?             ?      
1 1 1 36 36 41 o -1.903000      2.129000      ?             ?      
1 1 1 36 36 42 o -0.2871000     3.008000      ?             ?      
1 1 1 36 37 0  o 0.3738000      1.295000      ?             ?      
1 1 1 36 37 1  o 0.2263000      0.9476000     ?             ?      
1 1 1 36 37 2  o -0.9308000     1.008000      ?             ?      
1 1 1 36 37 3  o -0.5727000E-01 1.018000      ?             ?      
1 1 1 36 37 4  o -0.6030000     1.049000      ?             ?      
1 1 1 36 37 5  o -1.879000      1.056000      ?             ?      
1 1 1 36 37 6  o -0.3393000     1.073000      ?             ?      
1 1 1 36 37 7  o -0.2417000     1.086000      ?             ?      
1 1 1 36 37 8  o -0.9927000     1.107000      ?             ?      
1 1 1 36 37 9  o 1.755000       1.134000      ?             ?      
1 1 1 36 37 10 o 0.4138000      1.136000      ?             ?      
1 1 1 36 37 11 o 0.8345000      1.165000      ?             ?      
1 1 1 36 37 12 o -0.8018000     1.175000      ?             ?      
1 1 1 36 37 13 o 0.8114000      1.155000      ?             ?      
1 1 1 36 37 14 o -0.3434000     1.178000      ?             ?      
1 1 1 36 37 15 o 0.7964000      1.598000      ?             ?      
1 1 1 36 37 16 o 0.4664000      1.616000      ?             ?      
1 1 1 36 37 17 o -2.217000      2.080000      ?             ?      
1 1 1 36 37 18 o -0.4235000     1.402000      ?             ?      
1 1 1 36 37 19 o 0.6765000      1.210000      ?             ?      
1 1 1 36 37 20 o 0.1307000      1.190000      ?             ?      
1 1 1 36 37 21 o -0.1795000     1.218000      ?             ?      
1 1 1 36 37 22 o 0.1815000E-01  1.252000      ?             ?      
1 1 1 36 37 23 o 1.378000       1.612000      ?             ?      
1 1 1 36 37 24 o 1.067000       1.608000      ?             ?      
1 1 1 36 37 25 o 1.143000       1.336000      ?             ?      
1 1 1 36 37 26 o 2.438000       1.322000      ?             ?      
1 1 1 36 37 27 o -1.903000      1.295000      ?             ?      
1 1 1 36 37 28 o -0.4140000     1.324000      ?             ?      
1 1 1 36 37 29 o -1.760000      1.303000      ?             ?      
1 1 1 36 37 30 o -0.3829000     1.301000      ?             ?      
1 1 1 36 37 31 o -0.6806000     1.279000      ?             ?      
1 1 1 36 37 32 o 1.811000       1.277000      ?             ?      
1 1 1 36 37 33 o -0.3307000     1.274000      ?             ?      
1 1 1 36 37 34 o -0.4377000     1.267000      ?             ?      
1 1 1 36 37 35 o -0.1091000     1.548000      ?             ?      
1 1 1 36 37 36 o 0.6958000      1.599000      ?             ?      
1 1 1 36 37 37 o 0.5610000      1.256000      ?             ?      
1 1 1 36 37 38 o -0.4354000     1.447000      ?             ?      
1 1 1 36 37 39 o 0.7684000      1.420000      ?             ?      
1 1 1 36 37 40 o 0.2919000E-01  1.250000      ?             ?      
1 1 1 36 37 41 o -0.5099000     2.053000      ?             ?      
1 1 1 36 38 0  o -1.814000      1.261000      ?             ?      
1 1 1 36 38 1  o 0.4268000      0.9240000     ?             ?      
1 1 1 36 38 2  o 0.2399000      1.015000      ?             ?      
1 1 1 36 38 3  o -0.9141000     1.030000      ?             ?      
1 1 1 36 38 4  o 0.5216000      1.045000      ?             ?      
1 1 1 36 38 5  o -0.2004000     1.055000      ?             ?      
1 1 1 36 38 6  o -0.7947000E-01 1.065000      ?             ?      
1 1 1 36 38 7  o -0.4390000     1.071000      ?             ?      
1 1 1 36 38 8  o 0.3702000      1.100000      ?             ?      
1 1 1 36 38 9  o 1.209000       1.126000      ?             ?      
1 1 1 36 38 10 o 2.036000       1.149000      ?             ?      
1 1 1 36 38 11 o 0.3284000      1.162000      ?             ?      
1 1 1 36 38 12 o -0.3104000     1.140000      ?             ?      
1 1 1 36 38 13 o -1.205000      1.152000      ?             ?      
1 1 1 36 38 14 o -1.313000      1.207000      ?             ?      
1 1 1 36 38 15 o 0.1036000      1.627000      ?             ?      
1 1 1 36 38 16 o -0.9458000     2.116000      ?             ?      
1 1 1 36 38 17 o -0.7483000     1.632000      ?             ?      
1 1 1 36 38 18 o 0.5949000      1.404000      ?             ?      
1 1 1 36 38 19 o 2.009000       1.356000      ?             ?      
1 1 1 36 38 20 o 1.747000       1.247000      ?             ?      
1 1 1 36 38 21 o 1.766000       1.279000      ?             ?      
1 1 1 36 38 22 o 2.297000       1.472000      ?             ?      
1 1 1 36 38 23 o 0.1020000      1.640000      ?             ?      
1 1 1 36 38 24 o -1.303000      1.362000      ?             ?      
1 1 1 36 38 25 o 2.320000       1.336000      ?             ?      
1 1 1 36 38 26 o -0.5512000E-02 1.320000      ?             ?      
1 1 1 36 38 27 o 1.404000       1.369000      ?             ?      
1 1 1 36 38 28 o 1.524000       1.352000      ?             ?      
1 1 1 36 38 29 o -0.5082000     1.334000      ?             ?      
1 1 1 36 38 30 o -0.1532000     1.362000      ?             ?      
1 1 1 36 38 31 o 1.758000       1.370000      ?             ?      
1 1 1 36 38 32 o 0.8173000      1.361000      ?             ?      
1 1 1 36 38 33 o -0.6205000     1.551000      ?             ?      
1 1 1 36 38 34 o -0.9580000     1.277000      ?             ?      
1 1 1 36 38 35 o 0.4077000      1.283000      ?             ?      
1 1 1 36 38 36 o -1.187000      1.289000      ?             ?      
1 1 1 36 38 37 o -0.7786000     1.270000      ?             ?      
1 1 1 36 38 38 o 0.6460000      1.511000      ?             ?      
1 1 1 36 38 39 o 1.752000       1.474000      ?             ?      
1 1 1 36 38 40 < 0.000000       -1.000000     ?             ?      
1 1 1 36 39 0  o -0.9718000     1.245000      ?             ?      
1 1 1 36 39 1  o 0.2933000      0.9186000     ?             ?      
1 1 1 36 39 2  o 0.9500000      1.022000      ?             ?      
1 1 1 36 39 3  o -0.6260000     1.018000      ?             ?      
1 1 1 36 39 4  o -2.601000      1.063000      ?             ?      
1 1 1 36 39 5  o -1.122000      1.054000      ?             ?      
1 1 1 36 39 6  o 0.8102000      1.068000      ?             ?      
1 1 1 36 39 7  o -0.5774000     1.065000      ?             ?      
1 1 1 36 39 8  o 0.3575000      1.093000      ?             ?      
1 1 1 36 39 9  o -0.2321000     1.131000      ?             ?      
1 1 1 36 39 10 o 0.4863000      1.128000      ?             ?      
1 1 1 36 39 11 o 0.4162000      1.136000      ?             ?      
1 1 1 36 39 12 o -0.9332000     1.136000      ?             ?      
1 1 1 36 39 13 o -0.6203000     1.185000      ?             ?      
1 1 1 36 39 14 o 2.926000       2.095000      ?             ?      
1 1 1 36 39 15 o 0.2902000      2.059000      ?             ?      
1 1 1 36 39 16 o 1.207000       2.080000      ?             ?      
1 1 1 36 39 17 o -1.694000      1.370000      ?             ?      
1 1 1 36 39 18 o 1.691000       1.395000      ?             ?      
1 1 1 36 39 19 o 0.7733000      1.371000      ?             ?      
1 1 1 36 39 20 o -0.2023000E-02 1.375000      ?             ?      
1 1 1 36 39 21 o -0.8598000     1.241000      ?             ?      
1 1 1 36 39 22 o -1.517000      1.352000      ?             ?      
1 1 1 36 39 23 f -0.3571000     1.618000      ?             ?      
1 1 1 36 39 24 o -0.6153000     1.314000      ?             ?      
1 1 1 36 39 25 o 0.7396000      1.306000      ?             ?      
1 1 1 36 39 26 o 0.6908000      1.349000      ?             ?      
1 1 1 36 39 27 o 0.9864000      1.351000      ?             ?      
1 1 1 36 39 28 o 0.5555000      1.439000      ?             ?      
1 1 1 36 39 29 o 0.1727000      1.365000      ?             ?      
1 1 1 36 39 30 o -1.375000      1.623000      ?             ?      
1 1 1 36 39 31 o 2.250000       1.613000      ?             ?      
1 1 1 36 39 32 o 2.147000       1.332000      ?             ?      
1 1 1 36 39 33 o 1.990000       1.331000      ?             ?      
1 1 1 36 39 34 o 2.701000       1.334000      ?             ?      
1 1 1 36 39 35 o -0.1832000     1.286000      ?             ?      
1 1 1 36 39 36 o -0.3617000     1.283000      ?             ?      
1 1 1 36 39 37 o -0.9362000     1.496000      ?             ?      
1 1 1 36 39 38 o 2.247000       2.300000      ?             ?      
1 1 1 36 40 0  o 1.175000       1.254000      ?             ?      
1 1 1 36 40 1  o 0.5486000      0.9080000     ?             ?      
1 1 1 36 40 2  o -1.030000      1.003000      ?             ?      
1 1 1 36 40 3  o 0.3477000E-01  1.025000      ?             ?      
1 1 1 36 40 4  o 1.478000       1.065000      ?             ?      
1 1 1 36 40 5  o -1.763000      1.036000      ?             ?      
1 1 1 36 40 6  o 0.6755000      1.058000      ?             ?      
1 1 1 36 40 7  o 0.2691000      1.060000      ?             ?      
1 1 1 36 40 8  o 1.875000       1.116000      ?             ?      
1 1 1 36 40 9  o -0.6744000     1.118000      ?             ?      
1 1 1 36 40 10 o 0.2344000      1.122000      ?             ?      
1 1 1 36 40 11 o 0.2748000      1.257000      ?             ?      
1 1 1 36 40 12 o 0.6202000      1.290000      ?             ?      
1 1 1 36 40 13 o -0.2618000     1.567000      ?             ?      
1 1 1 36 40 14 o -1.420000      1.585000      ?             ?      
1 1 1 36 40 15 o 0.5918000      1.652000      ?             ?      
1 1 1 36 40 16 o -0.7921000     1.379000      ?             ?      
1 1 1 36 40 17 o 0.6228000      1.376000      ?             ?      
1 1 1 36 40 18 o -2.060000      1.344000      ?             ?      
1 1 1 36 40 19 o 0.4368000      1.413000      ?             ?      
1 1 1 36 40 20 o 0.2900000      1.365000      ?             ?      
1 1 1 36 40 21 o -0.8584000E-01 1.677000      ?             ?      
1 1 1 36 40 22 o -0.7341000     1.369000      ?             ?      
1 1 1 36 40 23 o -1.461000      1.348000      ?             ?      
1 1 1 36 40 24 o 0.4725000      1.326000      ?             ?      
1 1 1 36 40 25 o 0.1797000      1.365000      ?             ?      
1 1 1 36 40 26 o -0.8300000     1.368000      ?             ?      
1 1 1 36 40 27 o 0.1601000      1.379000      ?             ?      
1 1 1 36 40 28 o 0.7441000      1.633000      ?             ?      
1 1 1 36 40 29 o -0.9281000     1.340000      ?             ?      
1 1 1 36 40 30 o -1.065000      1.330000      ?             ?      
1 1 1 36 40 31 o -0.5643000     1.323000      ?             ?      
1 1 1 36 40 32 o 0.4198000      1.371000      ?             ?      
1 1 1 36 40 33 o 0.3052000      1.359000      ?             ?      
1 1 1 36 40 34 o -0.1280000     1.343000      ?             ?      
1 1 1 36 40 35 o -0.8418000     1.308000      ?             ?      
1 1 1 36 40 36 o -1.131000      1.535000      ?             ?      
1 1 1 36 40 37 < 0.000000       -1.000000     ?             ?      
1 1 1 36 41 0  o -1.972000      1.231000      ?             ?      
1 1 1 36 41 1  o 0.8916000      0.9015000     ?             ?      
1 1 1 36 41 2  o -1.044000      1.034000      ?             ?      
1 1 1 36 41 3  o -0.1014000     1.016000      ?             ?      
1 1 1 36 41 4  o -0.6710000     1.044000      ?             ?      
1 1 1 36 41 5  o 0.1115000      1.038000      ?             ?      
1 1 1 36 41 6  o -0.1696000     1.039000      ?             ?      
1 1 1 36 41 7  o 2.561000       1.090000      ?             ?      
1 1 1 36 41 8  o -0.9330000     1.104000      ?             ?      
1 1 1 36 41 9  o 0.3387000E-01  1.217000      ?             ?      
1 1 1 36 41 10 o -1.054000      1.119000      ?             ?      
1 1 1 36 41 11 o 1.018000       1.129000      ?             ?      
1 1 1 36 41 12 f 1.003000       1.521000      ?             ?      
1 1 1 36 41 13 o -0.4206000     1.554000      ?             ?      
1 1 1 36 41 14 o -1.499000      1.624000      ?             ?      
1 1 1 36 41 15 o 0.1780000E-01  1.279000      ?             ?      
1 1 1 36 41 16 o -1.255000      1.360000      ?             ?      
1 1 1 36 41 17 o 0.4026000      1.369000      ?             ?      
1 1 1 36 41 18 o 0.3115000E-01  1.342000      ?             ?      
1 1 1 36 41 19 o -0.5927000     1.361000      ?             ?      
1 1 1 36 41 20 o -1.153000      1.434000      ?             ?      
1 1 1 36 41 21 o -1.438000      1.616000      ?             ?      
1 1 1 36 41 22 o -0.7780000     1.638000      ?             ?      
1 1 1 36 41 23 o -0.2041000     1.374000      ?             ?      
1 1 1 36 41 24 o -0.7200000     1.395000      ?             ?      
1 1 1 36 41 25 o 0.5693000      1.631000      ?             ?      
1 1 1 36 41 26 o 0.4018000      1.584000      ?             ?      
1 1 1 36 41 27 o 0.4613000      1.364000      ?             ?      
1 1 1 36 41 28 o 0.6537000      1.374000      ?             ?      
1 1 1 36 41 29 o -1.919000      1.354000      ?             ?      
1 1 1 36 41 30 o -1.114000      1.339000      ?             ?      
1 1 1 36 41 31 o 0.1777000      1.351000      ?             ?      
1 1 1 36 41 32 o -0.4154000     1.350000      ?             ?      
1 1 1 36 41 33 o -2.571000      1.342000      ?             ?      
1 1 1 36 41 34 o -1.425000      1.355000      ?             ?      
1 1 1 36 41 35 o 0.2557000      1.650000      ?             ?      
1 1 1 36 42 0  o 1.049000       1.257000      ?             ?      
1 1 1 36 42 1  o 0.3726000      0.8850000     ?             ?      
1 1 1 36 42 2  o 0.4595000      1.032000      ?             ?      
1 1 1 36 42 3  o -0.3277000     1.005000      ?             ?      
1 1 1 36 42 4  o 0.1382000      1.037000      ?             ?      
1 1 1 36 42 5  o 0.6655000      1.050000      ?             ?      
1 1 1 36 42 6  o 0.6443000      1.213000      ?             ?      
1 1 1 36 42 7  o -1.367000      1.179000      ?             ?      
1 1 1 36 42 8  o -0.5631000     1.113000      ?             ?      
1 1 1 36 42 9  o -0.6547000     1.104000      ?             ?      
1 1 1 36 42 10 o 0.2310000      1.114000      ?             ?      
1 1 1 36 42 11 o -0.1197000     1.187000      ?             ?      
1 1 1 36 42 12 o 0.9816000      1.520000      ?             ?      
1 1 1 36 42 13 o -3.561000      1.528000      ?             ?      
1 1 1 36 42 14 o 1.025000       1.612000      ?             ?      
1 1 1 36 42 15 o 1.684000       1.326000      ?             ?      
1 1 1 36 42 16 o 0.5806000E-01  1.370000      ?             ?      
1 1 1 36 42 17 o 0.3881000      1.344000      ?             ?      
1 1 1 36 42 18 o 2.291000       1.390000      ?             ?      
1 1 1 36 42 19 o 1.221000       1.378000      ?             ?      
1 1 1 36 42 20 o 0.8048000      1.705000      ?             ?      
1 1 1 36 42 21 o -0.5582000     1.672000      ?             ?      
1 1 1 36 42 22 o 0.1477000      1.429000      ?             ?      
1 1 1 36 42 23 o 0.8110000      1.581000      ?             ?      
1 1 1 36 42 24 o -1.161000      1.373000      ?             ?      
1 1 1 36 42 25 o 1.566000       2.467000      ?             ?      
1 1 1 36 42 26 o 0.4000000E-01  1.366000      ?             ?      
1 1 1 36 42 27 o 1.443000       1.378000      ?             ?      
1 1 1 36 42 28 o -0.7760000     1.401000      ?             ?      
1 1 1 36 42 29 o -0.5475000     1.346000      ?             ?      
1 1 1 36 42 30 o -1.463000      1.350000      ?             ?      
1 1 1 36 42 31 o -0.2038000     1.357000      ?             ?      
1 1 1 36 42 32 o -0.4713000     1.366000      ?             ?      
1 1 1 36 42 33 o -0.3247000     1.622000      ?             ?      
1 1 1 36 42 34 o 0.3389000      4.218000      ?             ?      
1 1 1 36 43 0  o -0.9440000     1.237000      ?             ?      
1 1 1 36 43 1  o -0.3019000     0.8773000     ?             ?      
1 1 1 36 43 2  o -0.8799000E-01 1.033000      ?             ?      
1 1 1 36 43 3  o 1.940000       1.127000      ?             ?      
1 1 1 36 43 4  f -1.142000      1.163000      ?             ?      
1 1 1 36 43 5  o -1.135000      1.055000      ?             ?      
1 1 1 36 43 6  o 0.1935000      1.062000      ?             ?      
1 1 1 36 43 7  o 0.6492000      1.104000      ?             ?      
1 1 1 36 43 8  o 0.7825000E-01  1.162000      ?             ?      
1 1 1 36 43 9  o 0.2181000      1.149000      ?             ?      
1 1 1 36 43 10 o -0.6806000E-01 1.138000      ?             ?      
1 1 1 36 43 11 o -1.713000      1.464000      ?             ?      
1 1 1 36 43 12 o 1.116000       1.494000      ?             ?      
1 1 1 36 43 13 o 0.6598000E-01  1.559000      ?             ?      
1 1 1 36 43 14 o -0.3929000     1.199000      ?             ?      
1 1 1 36 43 15 o -1.525000      1.299000      ?             ?      
1 1 1 36 43 16 o 0.6019000      1.335000      ?             ?      
1 1 1 36 43 17 o 1.744000       1.335000      ?             ?      
1 1 1 36 43 18 o 0.2131000      1.410000      ?             ?      
1 1 1 36 43 19 o -1.374000      1.500000      ?             ?      
1 1 1 36 43 20 o -1.629000      1.664000      ?             ?      
1 1 1 36 43 21 o -0.8956000E-01 1.645000      ?             ?      
1 1 1 36 43 22 f 2.250000       1.395000      ?             ?      
1 1 1 36 43 23 o 2.080000       1.600000      ?             ?      
1 1 1 36 43 24 o -1.884000      1.565000      ?             ?      
1 1 1 36 43 25 o 0.9659000      1.611000      ?             ?      
1 1 1 36 43 26 o 2.975000       1.372000      ?             ?      
1 1 1 36 43 27 o 0.8382000      1.352000      ?             ?      
1 1 1 36 43 28 o -1.749000      1.395000      ?             ?      
1 1 1 36 43 29 o -0.1383000     1.357000      ?             ?      
1 1 1 36 43 30 o -0.3758000     1.366000      ?             ?      
1 1 1 36 43 31 o 0.2051000      1.622000      ?             ?      
1 1 1 36 43 32 o 0.1818000      1.607000      ?             ?      
1 1 1 36 44 0  o -1.596000      1.389000      ?             ?      
1 1 1 36 44 1  o 0.7970000      0.9235000     ?             ?      
1 1 1 36 44 2  o 0.4652000      1.046000      ?             ?      
1 1 1 36 44 3  o -0.4399000     1.018000      ?             ?      
1 1 1 36 44 4  o 0.4628000      1.082000      ?             ?      
1 1 1 36 44 5  o -0.4930000     1.097000      ?             ?      
1 1 1 36 44 6  o 0.1538000      1.104000      ?             ?      
1 1 1 36 44 7  o 0.6803000      1.088000      ?             ?      
1 1 1 36 44 8  o -0.2444000     1.117000      ?             ?      
1 1 1 36 44 9  o 0.7887000      1.132000      ?             ?      
1 1 1 36 44 10 o 2.101000       1.515000      ?             ?      
1 1 1 36 44 11 o -1.275000      1.489000      ?             ?      
1 1 1 36 44 12 o -1.325000      1.552000      ?             ?      
1 1 1 36 44 13 o 0.7547000E-01  1.188000      ?             ?      
1 1 1 36 44 14 o -0.6169000     1.217000      ?             ?      
1 1 1 36 44 15 o 0.6218000      1.340000      ?             ?      
1 1 1 36 44 16 o -0.5440000E-01 1.351000      ?             ?      
1 1 1 36 44 17 o 0.1550000      1.478000      ?             ?      
1 1 1 36 44 18 o 1.412000       1.395000      ?             ?      
1 1 1 36 44 19 o 1.346000       1.690000      ?             ?      
1 1 1 36 44 20 o -1.424000      1.643000      ?             ?      
1 1 1 36 44 21 o -0.2972000     1.632000      ?             ?      
1 1 1 36 44 22 o -0.7319000     1.368000      ?             ?      
1 1 1 36 44 23 o -1.413000      1.587000      ?             ?      
1 1 1 36 44 24 o 0.2226000      1.264000      ?             ?      
1 1 1 36 44 25 o -0.4857000     1.594000      ?             ?      
1 1 1 36 44 26 o -0.6236000     1.595000      ?             ?      
1 1 1 36 44 27 o -1.232000      1.416000      ?             ?      
1 1 1 36 44 28 o -2.451000      1.404000      ?             ?      
1 1 1 36 44 29 o 2.535000       1.642000      ?             ?      
1 1 1 36 44 30 o -1.334000      1.596000      ?             ?      
1 1 1 36 45 0  o -0.9876000     1.233000      ?             ?      
1 1 1 36 45 1  o 0.1090000      0.9745000     ?             ?      
1 1 1 36 45 2  o 0.5363000      1.160000      ?             ?      
1 1 1 36 45 3  o 0.8757000      1.094000      ?             ?      
1 1 1 36 45 4  o 0.2278000E-01  1.068000      ?             ?      
1 1 1 36 45 5  o 0.3100000      1.061000      ?             ?      
1 1 1 36 45 6  o -1.137000      1.065000      ?             ?      
1 1 1 36 45 7  o 1.291000       1.085000      ?             ?      
1 1 1 36 45 8  o 1.828000       1.119000      ?             ?      
1 1 1 36 45 9  o 1.085000       1.515000      ?             ?      
1 1 1 36 45 10 o -0.9306000     1.517000      ?             ?      
1 1 1 36 45 11 o -1.161000      1.551000      ?             ?      
1 1 1 36 45 12 o -0.6653000     1.231000      ?             ?      
1 1 1 36 45 13 o -0.8134000     1.247000      ?             ?      
1 1 1 36 45 14 o -0.9721000     1.232000      ?             ?      
1 1 1 36 45 15 o -0.1221000     1.336000      ?             ?      
1 1 1 36 45 16 o -2.102000      1.317000      ?             ?      
1 1 1 36 45 17 o -1.152000      1.371000      ?             ?      
1 1 1 36 45 18 o -1.276000      1.381000      ?             ?      
1 1 1 36 45 19 o 1.206000       1.679000      ?             ?      
1 1 1 36 45 20 o -1.490000      1.638000      ?             ?      
1 1 1 36 45 21 o 3.258000       1.399000      ?             ?      
1 1 1 36 45 22 o -0.2531000     1.371000      ?             ?      
1 1 1 36 45 23 o 0.4047000      1.604000      ?             ?      
1 1 1 36 45 24 o -0.1790000     1.594000      ?             ?      
1 1 1 36 45 25 o 0.2026000      1.633000      ?             ?      
1 1 1 36 45 26 o 0.9148000      1.631000      ?             ?      
1 1 1 36 45 27 f 1.201000       1.632000      ?             ?      
1 1 1 36 45 28 o -0.5060000     1.638000      ?             ?      
1 1 1 36 46 0  o 0.4698000      1.236000      ?             ?      
1 1 1 36 46 1  o -1.003000      0.8975000     ?             ?      
1 1 1 36 46 2  o -0.2370000E-01 1.154000      ?             ?      
1 1 1 36 46 3  o 0.4066000      1.030000      ?             ?      
1 1 1 36 46 4  o 0.3698000      1.118000      ?             ?      
1 1 1 36 46 5  o 0.2586000      1.091000      ?             ?      
1 1 1 36 46 6  o 0.6282000      1.080000      ?             ?      
1 1 1 36 46 7  o -0.9587000E-01 1.090000      ?             ?      
1 1 1 36 46 8  o -0.9079000     1.285000      ?             ?      
1 1 1 36 46 9  o 0.3610000      1.514000      ?             ?      
1 1 1 36 46 10 o -0.6679000E-01 1.539000      ?             ?      
1 1 1 36 46 11 o -1.068000      1.416000      ?             ?      
1 1 1 36 46 12 o 0.6475000      1.200000      ?             ?      
1 1 1 36 46 13 o -0.5150000E-01 1.205000      ?             ?      
1 1 1 36 46 14 o 0.5897000      1.295000      ?             ?      
1 1 1 36 46 15 o -0.2743000     1.339000      ?             ?      
1 1 1 36 46 16 o -1.527000      1.333000      ?             ?      
1 1 1 36 46 17 o -3.030000      2.460000      ?             ?      
1 1 1 36 46 18 o 1.660000       1.736000      ?             ?      
1 1 1 36 46 19 o 0.4237000      1.661000      ?             ?      
1 1 1 36 46 20 o 2.124000       1.683000      ?             ?      
1 1 1 36 46 21 o 1.329000       1.205000      ?             ?      
1 1 1 36 46 22 o 0.8643000      1.399000      ?             ?      
1 1 1 36 46 23 o 0.3827000      1.619000      ?             ?      
1 1 1 36 46 24 o 1.925000       1.623000      ?             ?      
1 1 1 36 46 25 o 0.3438000      1.633000      ?             ?      
1 1 1 36 46 26 o -0.3042000     1.660000      ?             ?      
1 1 1 36 47 0  o 0.4320000      1.254000      ?             ?      
1 1 1 36 47 1  o -0.5184000     0.8716000     ?             ?      
1 1 1 36 47 2  o 1.571000       1.054000      ?             ?      
1 1 1 36 47 3  o -0.1180000     1.038000      ?             ?      
1 1 1 36 47 4  o -1.792000      1.091000      ?             ?      
1 1 1 36 47 5  o 1.027000       2.174000      ?             ?      
1 1 1 36 47 6  o -0.6954000     1.942000      ?             ?      
1 1 1 36 47 7  o -1.642000      1.144000      ?             ?      
1 1 1 36 47 8  o -1.265000      1.566000      ?             ?      
1 1 1 36 47 9  o 0.1896000      1.604000      ?             ?      
1 1 1 36 47 10 o -3.273000      1.550000      ?             ?      
1 1 1 36 47 11 o -1.022000      1.208000      ?             ?      
1 1 1 36 47 12 o -1.895000      1.215000      ?             ?      
1 1 1 36 47 13 o -0.6214000     1.182000      ?             ?      
1 1 1 36 47 14 o 1.327000       1.331000      ?             ?      
1 1 1 36 47 15 o -0.8326000     1.368000      ?             ?      
1 1 1 36 47 16 o 0.6351000E-01  1.411000      ?             ?      
1 1 1 36 47 17 o -1.140000      1.367000      ?             ?      
1 1 1 36 47 18 o 0.6626000      1.670000      ?             ?      
1 1 1 36 47 19 o -0.3809000     1.664000      ?             ?      
1 1 1 36 47 20 o -1.348000      1.381000      ?             ?      
1 1 1 36 47 21 o 1.596000       1.402000      ?             ?      
1 1 1 36 47 22 o -3.031000      1.628000      ?             ?      
1 1 1 36 47 23 o -0.5088000E-02 1.242000      ?             ?      
1 1 1 36 47 24 o 3.790000       4.220000      ?             ?      
1 1 1 36 48 0  o 1.131000       1.265000      ?             ?      
1 1 1 36 48 1  o 0.8620000      0.8855000     ?             ?      
1 1 1 36 48 2  o 0.5594000      1.092000      ?             ?      
1 1 1 36 48 3  o -0.2860000     1.050000      ?             ?      
1 1 1 36 48 4  o 0.3383000      1.084000      ?             ?      
1 1 1 36 48 5  o -0.6159000     1.106000      ?             ?      
1 1 1 36 48 6  o 1.145000       1.139000      ?             ?      
1 1 1 36 48 7  o -2.652000      2.119000      ?             ?      
1 1 1 36 48 8  o 0.7618000      2.197000      ?             ?      
1 1 1 36 48 9  o -0.4918000     1.607000      ?             ?      
1 1 1 36 48 10 o 0.3033000      2.095000      ?             ?      
1 1 1 36 48 11 o 0.7287000      1.268000      ?             ?      
1 1 1 36 48 12 o 0.7755000E-02  1.239000      ?             ?      
1 1 1 36 48 13 o -4.251000      2.147000      ?             ?      
1 1 1 36 48 14 o -1.140000      1.334000      ?             ?      
1 1 1 36 48 15 o 0.4598000E-01  1.404000      ?             ?      
1 1 1 36 48 16 o -0.1125000     1.467000      ?             ?      
1 1 1 36 48 17 o 1.531000       1.709000      ?             ?      
1 1 1 36 48 18 o 0.9317000      1.698000      ?             ?      
1 1 1 36 48 19 o 0.3895000E-02  2.161000      ?             ?      
1 1 1 36 48 20 o 2.056000       1.604000      ?             ?      
1 1 1 36 48 21 o 0.3459000E-02  1.316000      ?             ?      
1 1 1 36 49 0  o 0.9487000      1.370000      ?             ?      
1 1 1 36 49 1  o -0.7105000E-01 0.9694000     ?             ?      
1 1 1 36 49 2  o -0.4601000     1.132000      ?             ?      
1 1 1 36 49 3  o 0.4174000      1.059000      ?             ?      
1 1 1 36 49 4  o -0.8026000     1.091000      ?             ?      
1 1 1 36 49 5  o -0.3682000     1.104000      ?             ?      
1 1 1 36 49 6  o 1.644000       2.846000      ?             ?      
1 1 1 36 49 7  o 1.955000       1.539000      ?             ?      
1 1 1 36 49 8  o -1.051000      1.101000      ?             ?      
1 1 1 36 49 9  o -0.7077000     2.102000      ?             ?      
1 1 1 36 49 10 o -1.020000      1.204000      ?             ?      
1 1 1 36 49 11 o 0.8100000      1.359000      ?             ?      
1 1 1 36 49 12 o 2.221000       1.391000      ?             ?      
1 1 1 36 49 13 o 0.4040000      1.221000      ?             ?      
1 1 1 36 49 14 o 0.1680000E-01  1.411000      ?             ?      
1 1 1 36 49 15 o 2.723000       1.698000      ?             ?      
1 1 1 36 49 16 o 0.1646000      1.645000      ?             ?      
1 1 1 36 49 17 o -0.4842000     2.197000      ?             ?      
1 1 1 36 49 18 o -5.592000      4.096000      ?             ?      
1 1 1 36 50 0  o -0.2865000E-01 1.673000      ?             ?      
1 1 1 36 50 1  o -0.8021000     1.086000      ?             ?      
1 1 1 36 50 2  o 0.7652000      1.260000      ?             ?      
1 1 1 36 50 3  o 1.216000       1.443000      ?             ?      
1 1 1 36 50 4  o -0.5071000     1.216000      ?             ?      
1 1 1 36 50 5  o -1.495000      1.141000      ?             ?      
1 1 1 36 50 6  o 2.096000       1.528000      ?             ?      
1 1 1 36 50 7  o -0.5747000E-01 1.547000      ?             ?      
1 1 1 36 50 8  o 0.8321000      1.569000      ?             ?      
1 1 1 36 50 9  o -1.199000      1.310000      ?             ?      
1 1 1 36 50 10 o -2.795000      1.539000      ?             ?      
1 1 1 36 50 11 o 1.330000       2.910000      ?             ?      
1 1 1 36 50 12 o 0.8683000      1.103000      ?             ?      
1 1 1 36 50 13 o -0.1557000     1.628000      ?             ?      
1 1 1 36 51 0  o -0.3511000     1.403000      ?             ?      
1 1 1 36 51 1  o 1.385000       1.642000      ?             ?      
1 1 1 36 51 2  o 1.278000       1.684000      ?             ?      
1 1 1 36 51 3  o 0.3199000      1.562000      ?             ?      
1 1 1 36 51 4  o -0.6444000     1.545000      ?             ?      
1 1 1 36 51 5  o 1.960000       1.998000      ?             ?      
1 1 1 36 51 6  o 0.3438000      1.996000      ?             ?      
1 1 1 36 51 7  o 0.1858000      2.093000      ?             ?      
1 1 1 36 51 8  < 0.000000       -1.000000     ?             ?      
1 1 1 37 0  1  o 0.6311000      1.421000      29.99502      90.0   
1 1 1 37 0  2  o 0.3202000      1.412000      58.25999      -0.0   
1 1 1 37 0  3  o -1.062000      1.389000      48.11811      -90.0  
1 1 1 37 0  4  o 0.8161000      1.384000      1.920688      -0.0   
1 1 1 37 0  5  o -0.6658000     1.398000      0.6006247     -90.0  
1 1 1 37 0  6  o 0.9532000      1.410000      29.13014      -0.0   
1 1 1 37 0  7  o -3.055000      1.439000      9.534083      -90.0  
1 1 1 37 0  8  o -0.3801000     1.419000      3.673002      -180.0 
1 1 1 37 0  9  o -2.310000      1.470000      29.09267      90.0   
1 1 1 37 0  10 o 0.1191000E-02  1.446000      41.75381      -0.0   
1 1 1 37 0  11 o 2.457000       1.645000      15.72602      -90.0  
1 1 1 37 0  12 o -0.4310000     1.453000      24.52108      -0.0   
1 1 1 37 0  13 o 0.6851000      1.457000      15.16211      -90.0  
1 1 1 37 0  14 o 0.6253000E-01  1.462000      37.49704      180.0  
1 1 1 37 0  15 o -2.534000      1.406000      9.101824      -90.0  
1 1 1 37 0  16 o -1.601000      1.389000      81.13476      -0.0   
1 1 1 37 0  17 o -0.4788000     1.387000      96.70221      90.0   
1 1 1 37 0  18 o 0.7162000      1.385000      30.80167      -180.0 
1 1 1 37 0  19 o 0.4924000      1.380000      13.74527      -90.0  
1 1 1 37 0  20 o -0.1782000     1.407000      5.882920      -180.0 
1 1 1 37 0  21 o -1.882000      1.405000      82.51616      -90.0  
1 1 1 37 0  22 o -0.7785000     1.415000      114.5297      180.0  
1 1 1 37 0  23 o -0.9536000     1.409000      53.99408      -90.0  
1 1 1 37 0  24 o 0.2603000      1.395000      66.91629      180.0  
1 1 1 37 0  25 o 0.5252000      1.413000      47.80514      -90.0  
1 1 1 37 0  26 o -3.637000      1.416000      59.61999      -0.0   
1 1 1 37 0  27 o 1.929000       1.425000      84.56799      90.0   
1 1 1 37 0  28 o 0.2044000      1.436000      104.4449      -0.0   
1 1 1 37 0  29 o -0.2822000     1.456000      7.235148      90.0   
1 1 1 37 0  30 o -0.5569000     1.474000      27.83008      -0.0   
1 1 1 37 0  31 o 1.824000       1.484000      43.12172      -90.0  
1 1 1 37 0  32 o 2.036000       1.515000      74.70715      180.0  
1 1 1 37 0  33 o 0.5891000E-01  1.531000      16.33985      -90.0  
1 1 1 37 0  34 o 2.060000       2.011000      7.806015      0.0    
1 1 1 37 0  35 o -2.434000      2.313000      34.73532      -90.0  
1 1 1 37 0  37 o -2.411000      1.987000      ?             ?      
1 1 1 37 0  38 o 0.5848000      1.785000      ?             ?      
1 1 1 37 0  39 o -0.5654000     1.966000      ?             ?      
1 1 1 37 0  40 o -1.140000      1.744000      ?             ?      
1 1 1 37 0  41 o 0.5750000      1.591000      ?             ?      
1 1 1 37 0  42 o -0.1851000     1.569000      ?             ?      
1 1 1 37 0  43 o 0.1092000      1.543000      ?             ?      
1 1 1 37 0  44 o 1.590000       1.556000      ?             ?      
1 1 1 37 0  45 o 0.2039000      1.535000      ?             ?      
1 1 1 37 0  46 o -0.3999000E-01 1.510000      ?             ?      
1 1 1 37 0  47 o -3.676000      1.487000      ?             ?      
1 1 1 37 0  48 o -0.8721000     1.530000      ?             ?      
1 1 1 37 0  49 o -0.3548000     1.751000      ?             ?      
1 1 1 37 0  50 o -0.9443000E-01 1.576000      ?             ?      
1 1 1 37 0  51 o 0.2305000      2.002000      ?             ?      
1 1 1 37 0  52 o 1.202000       2.108000      ?             ?      
1 1 1 37 0  53 o -1.431000      1.604000      ?             ?      
1 1 1 37 0  54 o 1.238000       1.620000      ?             ?      
1 1 1 37 0  55 o 0.3907000      2.132000      ?             ?      
1 1 1 37 0  56 o -1.915000      2.121000      ?             ?      
1 1 1 37 0  57 o -0.6870000     1.905000      ?             ?      
1 1 1 37 1  0  o -2.849000      1.407000      16.14566      90.0   
1 1 1 37 1  1  o -0.5743000     0.9933000     92.91784      -160.8 
1 1 1 37 1  2  o -2.047000      1.002000      103.5041      -146.1 
1 1 1 37 1  3  o -2.177000      0.9900000     22.35399      -171.1 
1 1 1 37 1  4  o 1.597000       0.9779000     73.82102      -29.8  
1 1 1 37 1  5  o -0.3596000     0.9866000     74.70118      -21.3  
1 1 1 37 1  6  o 0.8162000      1.000000      75.43664      177.0  
1 1 1 37 1  7  o -3.661000      1.433000      89.23020      177.5  
1 1 1 37 1  8  o -0.3403000     1.038000      20.48020      -122.6 
1 1 1 37 1  9  o -1.952000      1.040000      88.67110      57.2   
1 1 1 37 1  10 o -1.029000      1.038000      86.27322      -146.6 
1 1 1 37 1  11 o 0.1776000      1.068000      87.84393      -174.2 
1 1 1 37 1  12 o 0.1562000      1.040000      23.40754      -18.3  
1 1 1 37 1  13 o -0.3285000     1.036000      39.68658      -67.8  
1 1 1 37 1  14 o -0.7185000     1.025000      60.46119      -14.4  
1 1 1 37 1  15 o 0.7684000E-01  1.009000      34.88151      42.3   
1 1 1 37 1  16 o -0.5575000E-01 0.9882000     54.84987      141.7  
1 1 1 37 1  17 o -0.4716000     0.9866000     37.09343      149.7  
1 1 1 37 1  18 o -0.5804000     0.9904000     29.36539      -170.8 
1 1 1 37 1  19 o -2.316000      0.9814000     30.38426      154.1  
1 1 1 37 1  20 o -0.8859000     0.9980000     76.16443      -29.4  
1 1 1 37 1  21 o -0.4520000     0.9969000     58.81343      -57.1  
1 1 1 37 1  22 o -0.8914000     0.9941000     45.52425      -45.3  
1 1 1 37 1  23 o 1.753000       1.003000      10.19314      166.1  
1 1 1 37 1  24 o -1.518000      0.9982000     14.24571      -110.2 
1 1 1 37 1  25 o 0.8893000E-01  0.9980000     68.22359      -176.1 
1 1 1 37 1  26 o 0.7095000      1.008000      40.34891      158.0  
1 1 1 37 1  27 o -0.5392000     1.017000      36.89583      -168.2 
1 1 1 37 1  28 o -0.7616000     1.019000      112.4252      -66.9  
1 1 1 37 1  29 o 0.5031000      1.032000      55.51173      176.4  
1 1 1 37 1  30 o -0.4371000     1.035000      27.52874      -87.9  
1 1 1 37 1  31 o 0.6934000      1.054000      39.43850      -174.9 
1 1 1 37 1  32 o -0.9771000     1.067000      54.58137      -17.2  
1 1 1 37 1  33 o -0.5090000     1.141000      66.52165      -134.0 
1 1 1 37 1  34 o 0.7666000      1.643000      43.67144      -18.3  
1 1 1 37 1  35 o -1.584000      1.504000      31.84870      -120.3 
1 1 1 37 1  36 o -1.065000      1.656000      ?             ?      
1 1 1 37 1  37 o -0.9464000E-01 1.337000      ?             ?      
1 1 1 37 1  38 o -1.062000      1.442000      ?             ?      
1 1 1 37 1  39 o -1.126000      1.318000      ?             ?      
1 1 1 37 1  40 o 1.509000       1.261000      ?             ?      
1 1 1 37 1  41 o -0.8265000     1.176000      ?             ?      
1 1 1 37 1  42 o -1.490000      1.107000      ?             ?      
1 1 1 37 1  43 o 0.7575000      1.096000      ?             ?      
1 1 1 37 1  44 o 0.3988000E-01  1.084000      ?             ?      
1 1 1 37 1  45 o -0.6340000     1.075000      ?             ?      
1 1 1 37 1  46 o 0.8142000      1.079000      ?             ?      
1 1 1 37 1  47 o 1.159000       1.158000      ?             ?      
1 1 1 37 1  48 o 0.2082000      1.250000      ?             ?      
1 1 1 37 1  49 o -1.157000      1.235000      ?             ?      
1 1 1 37 1  50 o 2.216000       1.101000      ?             ?      
1 1 1 37 1  51 o -0.4787000     1.162000      ?             ?      
1 1 1 37 1  52 o 1.390000       1.202000      ?             ?      
1 1 1 37 1  53 o -0.7221000     1.318000      ?             ?      
1 1 1 37 1  54 o -0.1774000E-01 1.322000      ?             ?      
1 1 1 37 1  55 o 0.6052000E-01  1.348000      ?             ?      
1 1 1 37 1  56 o -1.198000      1.674000      ?             ?      
1 1 1 37 1  57 o -2.187000      1.427000      ?             ?      
1 1 1 37 2  0  o -2.346000      1.408000      6.323729      -90.0  
1 1 1 37 2  1  o -0.2309000     0.9917000     73.19994      -108.4 
1 1 1 37 2  2  f -2.219000      0.9899000     143.5704      -145.1 
1 1 1 37 2  3  o 1.083000       0.9831000     37.03755      96.8   
1 1 1 37 2  4  o 1.493000       0.9775000     100.6323      167.1  
1 1 1 37 2  5  o 0.5941000E-01  0.9903000     46.08839      32.2   
1 1 1 37 2  6  o 1.672000       1.011000      167.0639      20.3   
1 1 1 37 2  7  o -0.5364000E-01 1.009000      65.40296      -139.4 
1 1 1 37 2  8  o -1.021000      1.030000      20.67727      32.1   
1 1 1 37 2  9  o -1.009000      1.044000      77.37033      -105.0 
1 1 1 37 2  10 o 1.982000       1.128000      92.33504      54.0   
1 1 1 37 2  11 o -0.1694000     1.062000      44.89796      -5.3   
1 1 1 37 2  12 o 0.4113000      1.067000      92.98730      170.7  
1 1 1 37 2  13 o -0.9322000     1.028000      62.20424      -10.8  
1 1 1 37 2  14 o -0.8917000     1.001000      111.1172      148.1  
1 1 1 37 2  15 o 0.8014000      1.013000      89.23632      -31.2  
1 1 1 37 2  16 o 1.007000       0.9957000     131.0444      77.6   
1 1 1 37 2  17 o -0.8620000     0.9920000     29.99086      87.3   
1 1 1 37 2  18 o -0.3770000     0.9986000     41.52697      -179.5 
1 1 1 37 2  19 o -2.543000      0.9949000     40.14729      112.2  
1 1 1 37 2  20 o -1.100000      1.012000      133.1534      145.1  
1 1 1 37 2  21 o -0.5602000     0.9960000     67.62642      -93.3  
1 1 1 37 2  22 o 1.187000       0.9990000     67.96846      -95.9  
1 1 1 37 2  23 o 0.2572000E-01  0.9989000     82.26062      -74.3  
1 1 1 37 2  24 o -0.1818000     1.011000      87.64466      -72.6  
1 1 1 37 2  25 o 0.6718000      1.008000      138.6942      -87.0  
1 1 1 37 2  26 o -1.130000      1.001000      3.083658      -16.8  
1 1 1 37 2  27 o 0.4203000E-01  1.019000      124.5128      40.2   
1 1 1 37 2  28 o -1.808000      1.027000      75.84894      -35.7  
1 1 1 37 2  29 o -0.6791000     1.029000      74.08787      70.8   
1 1 1 37 2  30 o 0.1093000      1.081000      52.61445      -79.7  
1 1 1 37 2  31 o 0.4678000      1.106000      38.44644      100.9  
1 1 1 37 2  32 o -0.5641000     1.122000      44.55975      -25.7  
1 1 1 37 2  33 o 0.5389000      1.375000      107.0008      51.3   
1 1 1 37 2  34 o -1.312000      1.377000      59.90019      39.8   
1 1 1 37 2  35 o -2.963000      1.677000      ?             ?      
1 1 1 37 2  36 o 1.252000       1.971000      ?             ?      
1 1 1 37 2  37 o 0.4433000      1.366000      ?             ?      
1 1 1 37 2  38 o -0.3457000     1.306000      ?             ?      
1 1 1 37 2  39 o 0.7128000E-01  1.264000      ?             ?      
1 1 1 37 2  40 o 0.7250000      1.235000      ?             ?      
1 1 1 37 2  41 o 0.7732000      1.237000      ?             ?      
1 1 1 37 2  42 o -2.070000      1.110000      ?             ?      
1 1 1 37 2  43 o -0.5370000     1.147000      ?             ?      
1 1 1 37 2  44 o 1.016000       1.155000      ?             ?      
1 1 1 37 2  45 o 0.8680000E-01  1.143000      ?             ?      
1 1 1 37 2  46 o -2.175000      1.245000      ?             ?      
1 1 1 37 2  47 o 1.796000       1.246000      ?             ?      
1 1 1 37 2  48 o 0.1481000      1.069000      ?             ?      
1 1 1 37 2  49 o 0.2590000      1.072000      ?             ?      
1 1 1 37 2  50 o 0.8777000      1.080000      ?             ?      
1 1 1 37 2  51 o 1.675000       1.116000      ?             ?      
1 1 1 37 2  52 o -0.6069000     1.118000      ?             ?      
1 1 1 37 2  53 o -1.135000      1.195000      ?             ?      
1 1 1 37 2  54 o -1.901000      1.365000      ?             ?      
1 1 1 37 2  55 o 1.954000       1.340000      ?             ?      
1 1 1 37 2  56 o -1.635000      1.711000      ?             ?      
1 1 1 37 2  57 o -4.710000      3.628000      ?             ?      
1 1 1 37 3  0  o -1.015000      1.414000      184.2719      -90.0  
1 1 1 37 3  1  o 2.110000       0.9965000     203.0097      172.4  
1 1 1 37 3  2  o -0.2371000     0.9898000     150.1991      -105.0 
1 1 1 37 3  3  o -1.190000      0.9856000     214.9859      -52.7  
1 1 1 37 3  4  o -0.5410000     0.9789000     72.71285      146.8  
1 1 1 37 3  5  o 0.6452000      0.9759000     42.13478      -101.3 
1 1 1 37 3  6  o -1.091000      0.9955000     147.9262      139.8  
1 1 1 37 3  7  o 1.756000       1.027000      56.47385      -13.8  
1 1 1 37 3  8  o 0.8220000      1.021000      117.0376      -71.9  
1 1 1 37 3  9  o -0.2424000     1.030000      135.3840      173.6  
1 1 1 37 3  10 o 0.8523000      1.101000      125.6375      -98.4  
1 1 1 37 3  11 o -1.540000      1.067000      117.6736      157.1  
1 1 1 37 3  12 o -0.2354000     1.063000      86.98933      -22.2  
1 1 1 37 3  13 o -1.628000      1.065000      57.92136      -76.6  
1 1 1 37 3  14 o -1.530000      1.003000      95.40384      86.0   
1 1 1 37 3  15 o -0.9073000     1.015000      122.2883      -168.9 
1 1 1 37 3  16 o 0.3670000E-01  1.011000      69.29163      -101.2 
1 1 1 37 3  17 o 0.4118000      0.9966000     89.61626      130.9  
1 1 1 37 3  18 o -1.067000      1.006000      119.1402      -63.0  
1 1 1 37 3  19 o 1.084000       1.010000      74.83925      -142.3 
1 1 1 37 3  20 o 0.7598000      1.055000      140.8574      18.7   
1 1 1 37 3  21 o -1.042000      1.003000      115.6918      169.7  
1 1 1 37 3  22 o -1.448000      0.9997000     55.77785      22.4   
1 1 1 37 3  23 o -0.8552000     1.010000      76.64706      -79.3  
1 1 1 37 3  24 o -1.573000      1.009000      19.15225      125.1  
1 1 1 37 3  25 o -0.5546000     1.011000      104.1966      127.5  
1 1 1 37 3  26 o -1.004000      1.005000      103.8783      -68.2  
1 1 1 37 3  27 o -0.7854000     1.018000      42.26241      120.8  
1 1 1 37 3  28 o 1.612000       1.084000      25.75764      11.3   
1 1 1 37 3  29 o 0.9776000      1.155000      106.8332      141.4  
1 1 1 37 3  30 o -0.1359000     1.116000      81.34957      -142.8 
1 1 1 37 3  31 o -0.8715000E-01 1.100000      37.41430      56.5   
1 1 1 37 3  32 o 0.2008000      1.076000      65.95230      -126.0 
1 1 1 37 3  33 o 1.857000       1.263000      173.3677      -158.5 
1 1 1 37 3  34 o 0.8193000      1.274000      95.94046      37.5   
1 1 1 37 3  35 o -3.068000      2.059000      ?             ?      
1 1 1 37 3  36 o -1.290000      1.931000      ?             ?      
1 1 1 37 3  37 o 1.240000       1.450000      ?             ?      
1 1 1 37 3  38 o -0.6444000E-01 1.303000      ?             ?      
1 1 1 37 3  39 o -1.442000      1.174000      ?             ?      
1 1 1 37 3  40 o -0.5735000     1.209000      ?             ?      
1 1 1 37 3  41 o -1.529000      1.152000      ?             ?      
1 1 1 37 3  42 o 0.4904000      1.237000      ?             ?      
1 1 1 37 3  43 o -0.7567000E-01 1.175000      ?             ?      
1 1 1 37 3  44 o 0.4238000      1.266000      ?             ?      
1 1 1 37 3  45 o 0.7431000      1.141000      ?             ?      
1 1 1 37 3  46 o -0.7373000     1.133000      ?             ?      
1 1 1 37 3  47 o -1.387000      1.073000      ?             ?      
1 1 1 37 3  48 o 0.2076000E-01  1.070000      ?             ?      
1 1 1 37 3  49 o -0.5746000     1.073000      ?             ?      
1 1 1 37 3  50 o -0.9716000     1.074000      ?             ?      
1 1 1 37 3  51 o -0.6798000     1.104000      ?             ?      
1 1 1 37 3  52 o 0.4178000      1.127000      ?             ?      
1 1 1 37 3  53 o -0.3535000     1.137000      ?             ?      
1 1 1 37 3  54 o 0.4990000      1.619000      ?             ?      
1 1 1 37 3  55 o -0.6708000     1.348000      ?             ?      
1 1 1 37 3  56 o -2.944000      1.677000      ?             ?      
1 1 1 37 3  57 o 1.086000       1.994000      ?             ?      
1 1 1 37 4  0  o -0.6873000     1.396000      109.2549      -90.0  
1 1 1 37 4  1  o -0.1498000     0.9892000     118.1911      -43.2  
1 1 1 37 4  2  o -0.3550000     0.9801000     148.4834      -94.0  
1 1 1 37 4  3  o 0.5891000      0.9815000     120.9393      -30.6  
1 1 1 37 4  4  o -0.7081000     0.9750000     85.58794      -122.8 
1 1 1 37 4  5  o 1.431000       0.9729000     82.34372      -49.2  
1 1 1 37 4  6  o 0.3760000      0.9787000     203.1444      28.1   
1 1 1 37 4  7  o 0.3141000      1.001000      84.67963      -101.0 
1 1 1 37 4  8  o -0.7458000     0.9980000     129.5780      55.3   
1 1 1 37 4  9  o 2.488000       1.082000      109.9232      40.9   
1 1 1 37 4  10 o -0.7177000     1.075000      88.37267      89.8   
1 1 1 37 4  11 o -0.6163000     1.074000      105.3540      48.0   
1 1 1 37 4  12 o 0.5436000      1.053000      112.5288      144.1  
1 1 1 37 4  13 o -0.4569000     1.037000      59.90060      -65.5  
1 1 1 37 4  14 o 0.1903000      1.009000      86.89889      115.4  
1 1 1 37 4  15 o 0.3014000      1.015000      140.7496      40.8   
1 1 1 37 4  16 o -0.7654000     1.015000      50.16566      91.4   
1 1 1 37 4  17 o -2.208000      1.003000      100.2564      -103.6 
1 1 1 37 4  18 o 0.3266000      1.008000      92.91944      -104.9 
1 1 1 37 4  19 o -0.5556000     1.012000      82.32742      110.1  
1 1 1 37 4  20 o 0.8585000      1.027000      193.6971      -169.3 
1 1 1 37 4  21 o -0.3715000     1.010000      68.61361      3.6    
1 1 1 37 4  22 o 1.853000       1.009000      114.4712      -121.4 
1 1 1 37 4  23 o 0.6154000      1.017000      103.1903      -125.9 
1 1 1 37 4  24 o 0.7754000      1.019000      51.93834      -89.9  
1 1 1 37 4  25 o -0.8671000     1.067000      63.29364      -70.5  
1 1 1 37 4  26 o 0.1746000      1.080000      87.25251      -80.6  
1 1 1 37 4  27 o -1.154000      1.070000      94.68964      70.7   
1 1 1 37 4  28 o 0.5111000      1.087000      129.5965      -143.8 
1 1 1 37 4  29 o 0.9332000      1.090000      53.52264      39.0   
1 1 1 37 4  30 o -0.3628000     1.070000      98.41571      -124.8 
1 1 1 37 4  31 o 0.9358000      1.084000      139.1279      -1.7   
1 1 1 37 4  32 o -0.8799000     1.104000      49.81219      -70.5  
1 1 1 37 4  33 o 0.7483000      1.264000      187.6164      103.5  
1 1 1 37 4  34 o 0.7602000      1.291000      81.18378      -54.3  
1 1 1 37 4  35 o -0.5066000     1.954000      ?             ?      
1 1 1 37 4  36 o -1.439000      1.945000      ?             ?      
1 1 1 37 4  37 o 0.5933000      1.418000      ?             ?      
1 1 1 37 4  38 f 0.8609000      1.230000      ?             ?      
1 1 1 37 4  39 o 4.603000       1.226000      ?             ?      
1 1 1 37 4  40 o 0.6627000      1.274000      ?             ?      
1 1 1 37 4  41 o -0.8792000     1.518000      ?             ?      
1 1 1 37 4  42 o 1.715000       1.526000      ?             ?      
1 1 1 37 4  43 o 1.181000       1.096000      ?             ?      
1 1 1 37 4  44 o -1.091000      1.076000      ?             ?      
1 1 1 37 4  45 o 0.3915000      1.154000      ?             ?      
1 1 1 37 4  46 o 0.4720000      1.136000      ?             ?      
1 1 1 37 4  47 o -1.776000      1.068000      ?             ?      
1 1 1 37 4  48 o -0.1718000     1.116000      ?             ?      
1 1 1 37 4  49 o 0.9659000      1.082000      ?             ?      
1 1 1 37 4  50 o 1.179000       1.111000      ?             ?      
1 1 1 37 4  51 o -0.7610000     1.115000      ?             ?      
1 1 1 37 4  52 o -0.8541000     1.128000      ?             ?      
1 1 1 37 4  53 o -0.3585000     1.146000      ?             ?      
1 1 1 37 4  54 o 0.2096000      1.321000      ?             ?      
1 1 1 37 4  55 o -0.8752000     1.830000      ?             ?      
1 1 1 37 4  56 o -0.1648000E-01 1.407000      ?             ?      
1 1 1 37 4  57 o -1.578000      1.446000      ?             ?      
1 1 1 37 5  0  o 3.110000       1.374000      162.3393      90.0   
1 1 1 37 5  1  o -0.5785000     0.9699000     120.4699      16.6   
1 1 1 37 5  2  o -0.7489000     0.9793000     126.8547      -61.2  
1 1 1 37 5  3  o 0.9858000E-01  0.9809000     198.4630      -24.8  
1 1 1 37 5  4  o 1.538000       0.9794000     128.2516      163.3  
1 1 1 37 5  5  o 1.242000       0.9699000     127.7119      172.7  
1 1 1 37 5  6  o 0.9633000      0.9802000     186.1765      87.9   
1 1 1 37 5  7  o -0.5980000     0.9790000     35.61171      108.2  
1 1 1 37 5  8  o 1.264000       0.9962000     122.8822      149.7  
1 1 1 37 5  9  o 0.7311000      1.043000      142.9546      100.7  
1 1 1 37 5  10 o 0.8635000E-01  1.023000      72.52438      -30.7  
1 1 1 37 5  11 o 0.5429000      1.083000      110.4764      -167.5 
1 1 1 37 5  12 o 1.823000       1.071000      182.9171      -95.1  
1 1 1 37 5  13 o -1.121000      1.050000      42.59295      173.5  
1 1 1 37 5  14 o 0.5518000      1.090000      141.2028      -166.0 
1 1 1 37 5  15 o 1.877000       1.012000      199.8807      -98.2  
1 1 1 37 5  16 o -0.1452000     1.011000      106.1558      132.7  
1 1 1 37 5  17 o 1.447000       1.030000      120.1380      34.1   
1 1 1 37 5  18 o 1.070000       1.038000      243.1017      -51.2  
1 1 1 37 5  19 o -0.2390000     1.012000      118.9690      -102.7 
1 1 1 37 5  20 o 0.2275000      1.013000      104.8970      92.7   
1 1 1 37 5  21 o 3.252000       1.024000      256.6286      -141.3 
1 1 1 37 5  22 o 1.097000       1.021000      112.6142      -42.5  
1 1 1 37 5  23 o -0.4105000     1.077000      76.39334      -163.6 
1 1 1 37 5  24 o 0.7270000E-01  1.120000      45.85448      78.7   
1 1 1 37 5  25 o -0.1753000     1.085000      166.7953      -15.5  
1 1 1 37 5  26 o 0.3432000      1.060000      115.4235      -81.2  
1 1 1 37 5  27 o 0.1762000      1.044000      133.0831      62.6   
1 1 1 37 5  28 o -0.9420000     1.060000      46.94194      -139.0 
1 1 1 37 5  29 o 0.3868000      1.066000      65.44456      50.3   
1 1 1 37 5  30 o 1.097000       1.067000      35.30889      162.3  
1 1 1 37 5  31 o 2.446000       1.087000      128.8915      -39.9  
1 1 1 37 5  32 o 3.205000       1.258000      157.4836      -124.6 
1 1 1 37 5  33 o -0.5979000     1.250000      110.3626      125.9  
1 1 1 37 5  34 o 0.2095000E-01  1.371000      109.9682      107.3  
1 1 1 37 5  35 o -0.1746000     1.258000      ?             ?      
1 1 1 37 5  36 o -0.3476000     1.600000      ?             ?      
1 1 1 37 5  37 o 0.9818000      1.419000      ?             ?      
1 1 1 37 5  38 o 2.352000       1.164000      ?             ?      
1 1 1 37 5  39 o 0.2569000      1.417000      ?             ?      
1 1 1 37 5  40 o -1.634000      1.323000      ?             ?      
1 1 1 37 5  41 o -0.2481000     1.200000      ?             ?      
1 1 1 37 5  42 o -1.009000      1.135000      ?             ?      
1 1 1 37 5  43 o -1.462000      1.142000      ?             ?      
1 1 1 37 5  44 o 0.1121000      1.082000      ?             ?      
1 1 1 37 5  45 o 0.2128000      1.073000      ?             ?      
1 1 1 37 5  46 o 0.9907000E-01  1.054000      ?             ?      
1 1 1 37 5  47 o -0.8481000     1.123000      ?             ?      
1 1 1 37 5  48 f 0.6345000      1.140000      ?             ?      
1 1 1 37 5  49 o 1.854000       1.087000      ?             ?      
1 1 1 37 5  50 o 0.1232000      1.173000      ?             ?      
1 1 1 37 5  51 o 1.044000       1.198000      ?             ?      
1 1 1 37 5  52 o 0.6959000      1.112000      ?             ?      
1 1 1 37 5  53 o 0.2249000E-01  1.289000      ?             ?      
1 1 1 37 5  54 o 0.1495000      1.349000      ?             ?      
1 1 1 37 5  55 o -1.536000      1.329000      ?             ?      
1 1 1 37 5  56 o -0.4124000     2.140000      ?             ?      
1 1 1 37 5  57 o -1.231000      1.443000      ?             ?      
1 1 1 37 6  0  o -0.8254000E-01 1.339000      44.10886      90.0   
1 1 1 37 6  1  o 1.941000       0.9550000     137.5549      -128.9 
1 1 1 37 6  2  o 0.3524000      0.9547000     91.01180      131.9  
1 1 1 37 6  3  o 1.770000       0.9684000     257.4721      -56.4  
1 1 1 37 6  4  o -1.045000      0.9668000     141.2864      71.6   
1 1 1 37 6  5  o -0.1133000     0.9564000     10.85815      11.0   
1 1 1 37 6  6  o -0.2396000     0.9731000     37.76384      92.3   
1 1 1 37 6  7  o 0.4802000      0.9815000     265.0191      -116.7 
1 1 1 37 6  8  o 1.545000       1.053000      102.5412      145.7  
1 1 1 37 6  9  o 0.1803000      1.022000      70.50861      63.9   
1 1 1 37 6  10 o 0.9117000      1.037000      250.6252      68.3   
1 1 1 37 6  11 o 1.326000       1.069000      53.77186      -35.6  
1 1 1 37 6  12 o 0.4587000      1.055000      139.3188      -30.0  
1 1 1 37 6  13 o 1.202000       1.066000      196.1274      -27.1  
1 1 1 37 6  14 o -0.9146000     1.068000      66.34771      57.3   
1 1 1 37 6  15 o 0.1815000E-02  1.043000      89.57127      79.8   
1 1 1 37 6  16 o 0.7883000      1.026000      62.90765      17.0   
1 1 1 37 6  17 o 2.703000       1.045000      140.7165      -92.3  
1 1 1 37 6  18 o 1.899000       1.033000      89.02592      36.4   
1 1 1 37 6  19 o -1.703000      1.008000      139.8032      171.4  
1 1 1 37 6  20 o 1.915000       1.138000      156.9682      -74.9  
1 1 1 37 6  21 o 1.650000       1.081000      65.76675      151.6  
1 1 1 37 6  22 o 0.3682000      1.069000      166.5834      -98.7  
1 1 1 37 6  23 o 1.994000       1.127000      112.0798      -8.6   
1 1 1 37 6  24 o 3.415000       1.086000      159.0646      86.0   
1 1 1 37 6  25 o 0.6679000E-01  1.035000      87.65714      69.4   
1 1 1 37 6  26 o 0.5630000      1.031000      65.23027      -156.9 
1 1 1 37 6  27 o 0.4010000      1.052000      11.46289      -59.6  
1 1 1 37 6  28 o 6.439000       1.094000      353.5014      144.1  
1 1 1 37 6  29 o -0.1121000E-01 1.060000      64.00690      41.2   
1 1 1 37 6  30 o 0.5167000      1.069000      80.38702      -118.5 
1 1 1 37 6  31 o 3.222000       1.110000      175.3539      -16.9  
1 1 1 37 6  32 o 1.973000       1.234000      42.59582      -157.9 
1 1 1 37 6  33 o -0.2702000     1.264000      114.0822      61.5   
1 1 1 37 6  34 o 0.7205000      1.477000      83.19865      -100.3 
1 1 1 37 6  35 o -0.6802000     1.344000      ?             ?      
1 1 1 37 6  36 o 0.6665000      1.370000      ?             ?      
1 1 1 37 6  37 o -1.005000      1.350000      ?             ?      
1 1 1 37 6  38 o 1.687000       1.362000      ?             ?      
1 1 1 37 6  39 o -0.3735000     1.125000      ?             ?      
1 1 1 37 6  40 o 1.858000       1.105000      ?             ?      
1 1 1 37 6  41 o 2.226000       1.152000      ?             ?      
1 1 1 37 6  42 o 0.1282000      1.137000      ?             ?      
1 1 1 37 6  43 o 1.563000       1.142000      ?             ?      
1 1 1 37 6  44 o -0.3794000     1.070000      ?             ?      
1 1 1 37 6  45 o -0.4665000     1.057000      ?             ?      
1 1 1 37 6  46 o 0.2819000      1.058000      ?             ?      
1 1 1 37 6  47 o -1.267000      1.055000      ?             ?      
1 1 1 37 6  48 o 0.1671000      1.063000      ?             ?      
1 1 1 37 6  49 o -0.4689000     1.084000      ?             ?      
1 1 1 37 6  50 o 0.6254000      1.171000      ?             ?      
1 1 1 37 6  51 o 1.053000       1.133000      ?             ?      
1 1 1 37 6  52 o 1.184000       1.190000      ?             ?      
1 1 1 37 6  53 o 0.2842000      1.349000      ?             ?      
1 1 1 37 6  54 o -0.3656000     1.392000      ?             ?      
1 1 1 37 6  55 o 0.3487000      1.343000      ?             ?      
1 1 1 37 6  56 o -0.1225000     1.255000      ?             ?      
1 1 1 37 6  57 o -1.258000      1.446000      ?             ?      
1 1 1 37 7  0  o 0.5743000      1.311000      79.06032      90.0   
1 1 1 37 7  1  o 0.2734000      0.9299000     100.4478      -175.7 
1 1 1 37 7  2  o -0.6655000     0.9369000     41.75193      -120.9 
1 1 1 37 7  3  o 0.8105000      0.9511000     138.8549      -63.4  
1 1 1 37 7  4  o 0.8134000      0.9660000     138.8713      57.5   
1 1 1 37 7  5  o -1.047000      0.9767000     185.9413      143.3  
1 1 1 37 7  6  o 1.435000       0.9801000     265.2155      17.4   
1 1 1 37 7  7  o 4.181000       1.006000      250.8694      172.3  
1 1 1 37 7  8  o -1.825000      1.023000      64.18590      -42.9  
1 1 1 37 7  9  o 2.662000       1.029000      149.2251      124.5  
1 1 1 37 7  10 o 1.194000       1.028000      141.1179      -93.2  
1 1 1 37 7  11 o 1.250000       1.059000      169.6248      178.1  
1 1 1 37 7  12 o 2.312000       1.074000      268.5046      -18.0  
1 1 1 37 7  13 o 2.075000       1.081000      158.9299      86.1   
1 1 1 37 7  14 o 4.905000       1.090000      208.1671      152.8  
1 1 1 37 7  15 o -0.2700000     1.074000      124.1591      12.3   
1 1 1 37 7  16 o 0.5095000      1.037000      120.9634      -154.6 
1 1 1 37 7  17 o 3.860000       1.055000      276.2668      -61.2  
1 1 1 37 7  18 o 5.449000       1.169000      287.9837      -66.3  
1 1 1 37 7  19 o 0.9497000      1.165000      155.6250      27.4   
1 1 1 37 7  20 o 0.4122000E-01  1.046000      101.8101      -163.8 
1 1 1 37 7  21 o 1.580000       1.048000      70.03725      -151.3 
1 1 1 37 7  22 o 0.2816000      1.030000      101.3097      32.5   
1 1 1 37 7  23 o 4.162000       1.057000      170.1680      -125.0 
1 1 1 37 7  24 o 0.5707000      1.049000      38.18042      -84.0  
1 1 1 37 7  25 o 1.453000       1.037000      240.9916      -66.5  
1 1 1 37 7  26 o 0.9756000      1.036000      230.0647      -117.3 
1 1 1 37 7  27 o 2.118000       1.056000      99.18529      -123.5 
1 1 1 37 7  28 o 1.535000       1.077000      63.21652      30.1   
1 1 1 37 7  29 o -0.5491000     1.063000      28.19033      144.8  
1 1 1 37 7  30 o 1.071000       1.079000      179.2374      54.3   
1 1 1 37 7  31 o 3.361000       1.109000      228.7782      -39.6  
1 1 1 37 7  32 o 3.107000       1.401000      171.3304      110.0  
1 1 1 37 7  33 o 1.578000       1.464000      122.8798      150.4  
1 1 1 37 7  34 o -1.168000      2.023000      80.68556      124.0  
1 1 1 37 7  35 o 1.507000       1.608000      ?             ?      
1 1 1 37 7  36 o 0.4320000      1.354000      ?             ?      
1 1 1 37 7  37 o 0.2392000      1.291000      ?             ?      
1 1 1 37 7  38 o -1.512000      1.341000      ?             ?      
1 1 1 37 7  39 o 0.1982000      1.118000      ?             ?      
1 1 1 37 7  40 o 2.899000       1.182000      ?             ?      
1 1 1 37 7  41 o -1.874000      1.076000      ?             ?      
1 1 1 37 7  42 o 0.2225000      1.191000      ?             ?      
1 1 1 37 7  43 o 0.5714000      1.138000      ?             ?      
1 1 1 37 7  44 o 0.9988000      1.120000      ?             ?      
1 1 1 37 7  45 o -0.2730000     1.053000      ?             ?      
1 1 1 37 7  46 o -0.2448000E-01 1.062000      ?             ?      
1 1 1 37 7  47 o 2.346000       1.060000      ?             ?      
1 1 1 37 7  48 o -0.1555000     1.057000      ?             ?      
1 1 1 37 7  49 o 0.6190000      1.080000      ?             ?      
1 1 1 37 7  50 o 0.5866000      1.108000      ?             ?      
1 1 1 37 7  51 o 1.523000       1.136000      ?             ?      
1 1 1 37 7  52 o 0.7773000      1.203000      ?             ?      
1 1 1 37 7  53 o 0.1414000      1.451000      ?             ?      
1 1 1 37 7  54 o -1.258000      1.321000      ?             ?      
1 1 1 37 7  55 o -0.2700000E-01 1.320000      ?             ?      
1 1 1 37 7  56 o -1.097000      1.252000      ?             ?      
1 1 1 37 7  57 o 4.911000       1.423000      ?             ?      
1 1 1 37 8  0  o 1.825000       1.312000      43.16170      90.0   
1 1 1 37 8  1  o 2.266000       0.9356000     164.8140      -152.5 
1 1 1 37 8  2  o 4.070000       0.9545000     223.9236      -78.3  
1 1 1 37 8  3  o 0.1781000      0.9488000     107.4887      66.8   
1 1 1 37 8  4  o 4.141000       0.9710000     296.3199      78.8   
1 1 1 37 8  5  o 0.8117000      0.9841000     159.5570      130.8  
1 1 1 37 8  6  o 8.093000       1.011000      383.6086      -88.1  
1 1 1 37 8  7  o -0.1100000E-01 1.032000      58.10440      61.8   
1 1 1 37 8  8  o 0.9855000      1.018000      253.5329      -139.3 
1 1 1 37 8  9  o 3.202000       1.047000      82.07076      -21.4  
1 1 1 37 8  10 o 3.721000       1.044000      248.0659      166.9  
1 1 1 37 8  11 o 3.921000       1.039000      272.4717      31.5   
1 1 1 37 8  12 o 2.172000       1.078000      115.5581      -122.2 
1 1 1 37 8  13 o 2.120000       1.083000      177.0267      177.6  
1 1 1 37 8  14 o 0.1181000      1.083000      130.0336      127.0  
1 1 1 37 8  15 o 3.829000       1.096000      226.9756      -7.9   
1 1 1 37 8  16 o 0.7621000      1.125000      94.65923      27.4   
1 1 1 37 8  17 o 0.7566000      1.092000      87.12077      -99.1  
1 1 1 37 8  18 o -0.4416000E-02 1.208000      168.5783      95.9   
1 1 1 37 8  19 o 2.075000       1.048000      171.4758      -34.7  
1 1 1 37 8  20 o 2.090000       0.9935000     214.8370      147.0  
1 1 1 37 8  21 f 0.3776000      1.010000      22.55325      -22.9  
1 1 1 37 8  22 o 6.387000       1.070000      250.0219      -28.8  
1 1 1 37 8  23 o 8.458000       1.109000      261.4828      25.1   
1 1 1 37 8  24 o 3.539000       1.077000      285.6120      63.1   
1 1 1 37 8  25 o 0.3888000      1.032000      52.31240      -60.4  
1 1 1 37 8  26 o 4.188000       1.062000      77.12321      -36.0  
1 1 1 37 8  27 o 2.936000       1.072000      133.2499      71.7   
1 1 1 37 8  28 o 11.50000       1.178000      448.5684      138.1  
1 1 1 37 8  29 o 1.867000       1.147000      129.2136      -134.8 
1 1 1 37 8  30 o 1.667000       1.130000      98.78668      -22.3  
1 1 1 37 8  31 o 0.3704000      1.238000      119.2009      62.3   
1 1 1 37 8  32 o 0.8268000      1.543000      143.2440      -158.0 
1 1 1 37 8  33 o -0.5058000E-01 1.348000      61.46101      138.6  
1 1 1 37 8  34 o 1.199000       1.237000      ?             ?      
1 1 1 37 8  35 o -0.1504000     1.152000      ?             ?      
1 1 1 37 8  36 o -0.2053000     1.293000      ?             ?      
1 1 1 37 8  37 o 3.010000       1.299000      ?             ?      
1 1 1 37 8  38 o 1.397000       1.323000      ?             ?      
1 1 1 37 8  39 o -0.5103000     1.104000      ?             ?      
1 1 1 37 8  40 o -0.1588000     1.084000      ?             ?      
1 1 1 37 8  41 o -0.1242000     1.068000      ?             ?      
1 1 1 37 8  42 o -0.7074000     1.137000      ?             ?      
1 1 1 37 8  43 f -1.088000      1.118000      ?             ?      
1 1 1 37 8  44 o 3.957000       1.152000      ?             ?      
1 1 1 37 8  45 o -1.194000      1.057000      ?             ?      
1 1 1 37 8  46 o 0.2744000      1.071000      ?             ?      
1 1 1 37 8  47 o -1.051000      1.052000      ?             ?      
1 1 1 37 8  48 o 1.303000       1.064000      ?             ?      
1 1 1 37 8  49 o -0.1465000     1.082000      ?             ?      
1 1 1 37 8  50 o 0.4803000      1.112000      ?             ?      
1 1 1 37 8  51 o 0.7219000      1.122000      ?             ?      
1 1 1 37 8  52 o 0.1170000      1.271000      ?             ?      
1 1 1 37 8  53 o -0.8372000E-01 1.277000      ?             ?      
1 1 1 37 8  54 o 1.268000       1.378000      ?             ?      
1 1 1 37 8  55 o 0.8282000      1.304000      ?             ?      
1 1 1 37 8  56 o 1.072000       1.247000      ?             ?      
1 1 1 37 8  57 o 0.9230000      1.590000      ?             ?      
1 1 1 37 9  0  o -0.2634000     1.313000      196.9685      90.0   
1 1 1 37 9  1  o 1.180000       0.9311000     176.0027      11.9   
1 1 1 37 9  2  o 1.627000       0.9347000     126.2843      -98.7  
1 1 1 37 9  3  o 0.6544000E-01  0.9357000     117.6094      121.3  
1 1 1 37 9  4  o -0.4514000E-01 0.9598000     49.91719      -45.3  
1 1 1 37 9  5  o 0.8823000      0.9593000     186.3111      104.4  
1 1 1 37 9  6  o -0.3334000     0.9642000     112.1304      152.2  
1 1 1 37 9  7  o 3.591000       1.027000      210.3959      8.5    
1 1 1 37 9  8  o 1.419000       1.018000      191.4457      -76.5  
1 1 1 37 9  9  o -0.9536000     1.023000      81.65652      -15.3  
1 1 1 37 9  10 o 2.498000       1.045000      28.70097      -31.7  
1 1 1 37 9  11 o 1.636000       1.094000      38.40580      -81.8  
1 1 1 37 9  12 o -0.4601000     1.083000      121.8540      27.5   
1 1 1 37 9  13 o 2.666000       1.102000      170.0458      -154.4 
1 1 1 37 9  14 o 5.937000       1.159000      299.9607      132.0  
1 1 1 37 9  15 o -0.4985000     1.111000      88.30243      -56.3  
1 1 1 37 9  16 o -0.3394000     1.098000      155.0207      -60.0  
1 1 1 37 9  17 o -0.2090000     1.036000      98.63590      -102.8 
1 1 1 37 9  18 o 0.1204000      1.000000      47.63986      -110.7 
1 1 1 37 9  19 o 2.505000       1.014000      67.58791      56.1   
1 1 1 37 9  20 o 1.708000       1.018000      40.01120      134.7  
1 1 1 37 9  21 o -0.5942000     1.007000      37.30020      -173.9 
1 1 1 37 9  22 o 4.723000       1.070000      209.8629      57.6   
1 1 1 37 9  23 o 4.908000       1.092000      271.2200      -129.0 
1 1 1 37 9  24 o -1.735000      1.058000      140.9728      -155.3 
1 1 1 37 9  25 o 0.2977000      1.038000      78.16191      -55.3  
1 1 1 37 9  26 o -0.7578000     1.054000      166.3952      -44.5  
1 1 1 37 9  27 o 0.8433000      1.117000      168.1053      -146.3 
1 1 1 37 9  28 o 3.631000       1.161000      151.2255      117.4  
1 1 1 37 9  29 o -0.7840000     1.300000      109.3806      -171.1 
1 1 1 37 9  30 o 0.9158000      1.322000      193.2242      8.0    
1 1 1 37 9  31 o 1.670000       1.249000      39.09886      -52.9  
1 1 1 37 9  32 o 5.138000       1.320000      234.1615      121.4  
1 1 1 37 9  33 o 1.404000       1.237000      175.3315      -90.2  
1 1 1 37 9  34 o -1.223000      1.168000      ?             ?      
1 1 1 37 9  35 o 0.8967000E-03  1.094000      ?             ?      
1 1 1 37 9  36 o -0.5275000     1.049000      ?             ?      
1 1 1 37 9  37 o -0.3634000     1.275000      ?             ?      
1 1 1 37 9  38 o 1.026000       1.283000      ?             ?      
1 1 1 37 9  39 o 0.7985000      1.112000      ?             ?      
1 1 1 37 9  40 o -1.181000      1.082000      ?             ?      
1 1 1 37 9  41 o -0.3464000     1.087000      ?             ?      
1 1 1 37 9  42 o -1.263000      1.075000      ?             ?      
1 1 1 37 9  43 o 3.118000       1.202000      ?             ?      
1 1 1 37 9  44 o 0.4999000      1.112000      ?             ?      
1 1 1 37 9  45 o -0.9701000     1.100000      ?             ?      
1 1 1 37 9  46 o -0.7240000     1.052000      ?             ?      
1 1 1 37 9  47 o 2.896000       1.056000      ?             ?      
1 1 1 37 9  48 o -0.5934000E-01 1.058000      ?             ?      
1 1 1 37 9  49 o 0.2147000      1.075000      ?             ?      
1 1 1 37 9  50 o 0.7341000      1.108000      ?             ?      
1 1 1 37 9  51 o 1.610000       1.117000      ?             ?      
1 1 1 37 9  52 o -0.1900000     1.595000      ?             ?      
1 1 1 37 9  53 o 0.6841000      1.411000      ?             ?      
1 1 1 37 9  54 o 1.974000       2.005000      ?             ?      
1 1 1 37 9  55 o 2.458000       1.266000      ?             ?      
1 1 1 37 9  56 o 0.5393000      1.200000      ?             ?      
1 1 1 37 10 0  o 1.131000       1.315000      67.45719      90.0   
1 1 1 37 10 1  o 3.333000       0.9390000     282.3776      -130.4 
1 1 1 37 10 2  o 1.339000       0.9305000     10.13437      35.0   
1 1 1 37 10 3  o 3.958000       0.9454000     227.4959      27.8   
1 1 1 37 10 4  o 0.6204000      0.9626000     117.4952      -137.9 
1 1 1 37 10 5  o -0.7871000E-01 0.9497000     176.6310      -50.5  
1 1 1 37 10 6  o 0.2146000      0.9809000     162.4404      158.1  
1 1 1 37 10 7  o 2.307000       1.025000      172.5990      51.6   
1 1 1 37 10 8  o 6.291000       1.127000      383.6574      -179.7 
1 1 1 37 10 9  o 0.4973000      1.066000      42.95754      154.3  
1 1 1 37 10 10 o 6.135000       1.070000      269.9939      134.2  
1 1 1 37 10 11 o 4.418000       1.070000      246.1635      33.3   
1 1 1 37 10 12 o 4.975000       1.190000      248.5755      -144.0 
1 1 1 37 10 13 o 2.751000       1.180000      225.2270      -160.4 
1 1 1 37 10 14 o 2.427000       1.109000      112.9540      20.6   
1 1 1 37 10 15 o -0.5925000     1.069000      74.54639      -21.8  
1 1 1 37 10 16 o -0.5213000E-01 1.070000      85.17846      176.0  
1 1 1 37 10 17 o -0.5077000     1.087000      49.66238      -38.4  
1 1 1 37 10 18 o 1.640000       1.017000      86.21139      -132.6 
1 1 1 37 10 19 o 1.118000       1.012000      163.9290      -14.9  
1 1 1 37 10 20 o 5.049000       1.045000      275.4119      142.9  
1 1 1 37 10 21 o -0.7568000     1.017000      72.64588      -41.6  
1 1 1 37 10 22 o 3.835000       1.064000      253.3301      -45.6  
1 1 1 37 10 23 o 8.919000       1.123000      337.8820      74.1   
1 1 1 37 10 24 o 1.235000       1.099000      96.47823      99.4   
1 1 1 37 10 25 o 0.5717000      1.097000      118.4702      -116.2 
1 1 1 37 10 26 o -0.4442000     1.058000      145.3496      44.2   
1 1 1 37 10 27 o 5.156000       1.275000      149.5236      86.4   
1 1 1 37 10 28 o 5.260000       1.127000      279.1638      -171.2 
1 1 1 37 10 29 o 1.048000       1.088000      159.5739      -145.7 
1 1 1 37 10 30 o 3.134000       1.128000      209.7590      42.5   
1 1 1 37 10 31 o 2.922000       1.291000      200.4528      70.0   
1 1 1 37 10 32 o 0.3661000      1.312000      112.3998      -124.2 
1 1 1 37 10 33 o 0.6424000      1.195000      131.1622      -9.2   
1 1 1 37 10 34 o -1.170000      1.152000      ?             ?      
1 1 1 37 10 35 o -0.5031000E-01 1.046000      ?             ?      
1 1 1 37 10 36 o 0.7069000      1.023000      ?             ?      
1 1 1 37 10 37 o 0.6015000      1.288000      ?             ?      
1 1 1 37 10 38 o 1.268000       1.302000      ?             ?      
1 1 1 37 10 39 o 1.125000       1.342000      ?             ?      
1 1 1 37 10 40 o 0.3216000E-01  1.091000      ?             ?      
1 1 1 37 10 41 o -0.2320000     1.087000      ?             ?      
1 1 1 37 10 42 o 0.7060000      1.050000      ?             ?      
1 1 1 37 10 43 o 0.7072000      1.109000      ?             ?      
1 1 1 37 10 44 o 1.276000       1.108000      ?             ?      
1 1 1 37 10 45 o -0.1489000     1.092000      ?             ?      
1 1 1 37 10 46 o -0.7267000     1.042000      ?             ?      
1 1 1 37 10 47 o 0.3172000      1.046000      ?             ?      
1 1 1 37 10 48 o -0.7269000E-01 1.074000      ?             ?      
1 1 1 37 10 49 o 0.9879000      1.090000      ?             ?      
1 1 1 37 10 50 o 1.087000       1.109000      ?             ?      
1 1 1 37 10 51 o -0.4191000     1.133000      ?             ?      
1 1 1 37 10 52 o -1.110000      1.242000      ?             ?      
1 1 1 37 10 53 o 1.215000       1.272000      ?             ?      
1 1 1 37 10 54 o 0.4932000      1.264000      ?             ?      
1 1 1 37 10 55 o 2.188000       1.252000      ?             ?      
1 1 1 37 10 56 o -0.7246000E-01 1.178000      ?             ?      
1 1 1 37 11 0  o 1.947000       1.335000      251.7871      90.0   
1 1 1 37 11 1  o 5.410000       0.9574000     391.0170      -13.7  
1 1 1 37 11 2  o 4.896000       0.9623000     302.5533      -33.0  
1 1 1 37 11 3  o 1.814000       0.9445000     121.4181      154.5  
1 1 1 37 11 4  o -0.3830000     0.9553000     77.77254      129.8  
1 1 1 37 11 5  o 0.5293000      1.004000      124.8138      35.5   
1 1 1 37 11 6  o 5.751000       1.150000      338.1036      3.1    
1 1 1 37 11 7  o 1.615000       1.051000      251.4134      -122.2 
1 1 1 37 11 8  o 7.702000       1.067000      284.4224      170.6  
1 1 1 37 11 9  o -1.479000      1.078000      54.57125      -10.8  
1 1 1 37 11 10 o 1.583000       1.129000      155.9730      8.1    
1 1 1 37 11 11 o 0.7054000      1.061000      77.56115      161.9  
1 1 1 37 11 12 o 0.9672000      1.038000      132.5091      -175.3 
1 1 1 37 11 13 o 4.095000       1.114000      306.8459      -84.2  
1 1 1 37 11 14 o 0.4808000      1.082000      185.4122      56.0   
1 1 1 37 11 15 o -0.8001000     1.074000      121.4281      13.6   
1 1 1 37 11 16 o -1.267000      1.077000      116.9918      -40.3  
1 1 1 37 11 17 o -1.219000      1.085000      43.33918      138.6  
1 1 1 37 11 18 o 0.2403000      1.129000      96.44550      123.2  
1 1 1 37 11 19 o 0.7684000      1.023000      112.2401      53.2   
1 1 1 37 11 20 o 0.2306000      1.010000      76.84344      163.1  
1 1 1 37 11 21 o 1.824000       1.030000      154.5684      137.1  
1 1 1 37 11 22 o -0.7945000     1.077000      68.99429      -161.6 
1 1 1 37 11 23 o 6.088000       1.140000      249.9055      -114.1 
1 1 1 37 11 24 o 2.422000       1.216000      175.8832      174.4  
1 1 1 37 11 25 o 2.382000       1.223000      236.5733      14.6   
1 1 1 37 11 26 o 0.6500000      1.050000      97.66786      -47.5  
1 1 1 37 11 27 o -2.046000      1.054000      81.31037      -127.1 
1 1 1 37 11 28 o 1.253000       1.065000      68.70099      125.9  
1 1 1 37 11 29 o -1.086000      1.079000      63.73535      -99.5  
1 1 1 37 11 30 o 2.968000       1.255000      134.6121      -133.9 
1 1 1 37 11 31 o 8.285000       1.694000      234.1367      90.3   
1 1 1 37 11 32 o 1.527000       1.410000      101.0654      121.6  
1 1 1 37 11 33 o 1.303000       1.182000      ?             ?      
1 1 1 37 11 34 o -1.085000      1.101000      ?             ?      
1 1 1 37 11 35 o -0.4373000     1.031000      ?             ?      
1 1 1 37 11 36 o -1.243000      1.020000      ?             ?      
1 1 1 37 11 37 o 0.7108000      1.280000      ?             ?      
1 1 1 37 11 38 o 1.340000       1.278000      ?             ?      
1 1 1 37 11 39 o -0.6646000     1.321000      ?             ?      
1 1 1 37 11 40 o -0.6983000E-01 1.086000      ?             ?      
1 1 1 37 11 41 o -0.3280000     1.060000      ?             ?      
1 1 1 37 11 42 o 0.2582000      1.038000      ?             ?      
1 1 1 37 11 43 o 1.002000       1.048000      ?             ?      
1 1 1 37 11 44 o -0.4878000     1.153000      ?             ?      
1 1 1 37 11 45 o -0.1852000     1.109000      ?             ?      
1 1 1 37 11 46 o -2.533000      1.089000      ?             ?      
1 1 1 37 11 47 o 1.207000       1.051000      ?             ?      
1 1 1 37 11 48 o -0.2794000     1.069000      ?             ?      
1 1 1 37 11 49 o 1.464000       1.092000      ?             ?      
1 1 1 37 11 50 o 2.254000       1.120000      ?             ?      
1 1 1 37 11 51 o -0.5263000E-01 1.242000      ?             ?      
1 1 1 37 11 52 o -0.2958000     1.310000      ?             ?      
1 1 1 37 11 53 o -0.4324000E-01 1.273000      ?             ?      
1 1 1 37 11 54 o 0.7008000      1.614000      ?             ?      
1 1 1 37 11 55 o 0.5974000      1.367000      ?             ?      
1 1 1 37 11 56 o 0.6207000      1.184000      ?             ?      
1 1 1 37 12 0  o 9.283000       1.425000      544.0169      90.0   
1 1 1 37 12 1  o 0.8211000      0.9577000     118.5638      -47.5  
1 1 1 37 12 2  o 5.618000       0.9988000     342.9921      51.8   
1 1 1 37 12 3  o 1.666000       1.013000      58.61995      -99.0  
1 1 1 37 12 4  o 7.263000       1.034000      339.0090      -165.9 
1 1 1 37 12 5  o 4.427000       1.011000      310.3010      100.5  
1 1 1 37 12 6  o 0.8614000      1.038000      16.29809      -56.6  
1 1 1 37 12 7  o 0.6277000      1.071000      72.36391      103.0  
1 1 1 37 12 8  o 0.8736000      1.118000      134.4545      -167.5 
1 1 1 37 12 9  o 0.4147000E-02  1.037000      127.9160      97.0   
1 1 1 37 12 10 o 3.304000       1.042000      164.0929      104.4  
1 1 1 37 12 11 o 1.646000       1.031000      283.4903      68.5   
1 1 1 37 12 12 o 2.539000       1.047000      141.8644      -161.1 
1 1 1 37 12 13 o -0.1218000     1.109000      110.6907      -130.1 
1 1 1 37 12 14 o 6.575000       1.131000      319.1884      44.9   
1 1 1 37 12 15 o 0.9484000      1.093000      149.0031      -179.1 
1 1 1 37 12 16 o 0.6946000      1.100000      98.37272      175.1  
1 1 1 37 12 17 o 1.872000       1.105000      131.1524      169.4  
1 1 1 37 12 18 o 0.7839000      1.140000      75.54613      59.2   
1 1 1 37 12 19 o 4.093000       1.193000      218.6618      14.1   
1 1 1 37 12 20 o 4.220000       1.065000      206.0464      176.6  
1 1 1 37 12 21 o 2.642000       1.051000      156.6108      -92.5  
1 1 1 37 12 22 o 1.490000       1.172000      167.7105      9.4    
1 1 1 37 12 23 o 5.218000       1.217000      226.5922      91.9   
1 1 1 37 12 24 o 1.154000       1.033000      90.10450      175.1  
1 1 1 37 12 25 o -1.932000      1.028000      39.05542      -77.8  
1 1 1 37 12 26 o 2.038000       1.045000      223.9202      97.0   
1 1 1 37 12 27 o 1.742000       1.041000      34.70024      -121.0 
1 1 1 37 12 28 o 0.4647000      1.057000      130.1118      74.8   
1 1 1 37 12 29 o 0.6593000      1.072000      166.4245      -102.9 
1 1 1 37 12 30 o 1.356000       1.262000      148.0604      69.9   
1 1 1 37 12 31 o 2.111000       1.294000      167.6736      6.7    
1 1 1 37 12 32 o 0.8481000      1.188000      153.4285      102.6  
1 1 1 37 12 33 o 1.658000       1.144000      ?             ?      
1 1 1 37 12 34 o 0.1254000      1.032000      ?             ?      
1 1 1 37 12 35 o 1.124000       1.036000      ?             ?      
1 1 1 37 12 36 o -1.859000      1.022000      ?             ?      
1 1 1 37 12 37 o 2.087000       1.289000      ?             ?      
1 1 1 37 12 38 o 1.776000       1.290000      ?             ?      
1 1 1 37 12 39 o 3.246000       1.380000      ?             ?      
1 1 1 37 12 40 o 0.6286000      1.094000      ?             ?      
1 1 1 37 12 41 o -1.588000      1.050000      ?             ?      
1 1 1 37 12 42 o 0.4370000E-01  0.9958000     ?             ?      
1 1 1 37 12 43 f 1.359000       1.059000      ?             ?      
1 1 1 37 12 44 o 3.085000       1.128000      ?             ?      
1 1 1 37 12 45 o 2.052000       1.096000      ?             ?      
1 1 1 37 12 46 o 0.8420000      1.104000      ?             ?      
1 1 1 37 12 47 o 1.455000       1.069000      ?             ?      
1 1 1 37 12 48 o -0.4100000     1.059000      ?             ?      
1 1 1 37 12 49 o 2.739000       1.081000      ?             ?      
1 1 1 37 12 50 o 1.758000       1.112000      ?             ?      
1 1 1 37 12 51 o -0.2817000     1.231000      ?             ?      
1 1 1 37 12 52 o -0.1947000     1.243000      ?             ?      
1 1 1 37 12 53 o 0.9311000      1.253000      ?             ?      
1 1 1 37 12 54 o 0.5552000      1.206000      ?             ?      
1 1 1 37 12 55 o 1.843000       1.181000      ?             ?      
1 1 1 37 12 56 o 2.098000       1.395000      ?             ?      
1 1 1 37 13 0  o 3.704000       1.504000      452.3862      90.0   
1 1 1 37 13 1  o 3.390000       1.005000      223.7018      -63.6  
1 1 1 37 13 2  o 0.6444000      0.9907000     200.6721      -31.6  
1 1 1 37 13 3  o 7.112000       1.026000      353.7463      159.0  
1 1 1 37 13 4  o 2.155000       1.035000      242.1399      110.2  
1 1 1 37 13 5  o 3.670000       1.197000      233.4272      -11.6  
1 1 1 37 13 6  o 0.9647000      1.053000      142.7736      -90.2  
1 1 1 37 13 7  o 1.197000       1.011000      122.2280      -143.8 
1 1 1 37 13 8  o -1.483000      0.9981000     42.32319      168.4  
1 1 1 37 13 9  o 3.677000       1.025000      216.3123      -133.8 
1 1 1 37 13 10 o 3.659000       1.053000      197.9245      -144.3 
1 1 1 37 13 11 o 0.9317000      1.039000      270.1663      136.6  
1 1 1 37 13 12 o 0.3289000      1.060000      174.7747      -83.0  
1 1 1 37 13 13 o 3.071000       1.142000      109.8603      -8.1   
1 1 1 37 13 14 o 1.616000       1.133000      176.3527      75.3   
1 1 1 37 13 15 o 3.344000       1.191000      208.5051      173.1  
1 1 1 37 13 16 o -0.1952000     1.149000      166.0382      -131.6 
1 1 1 37 13 17 o 1.912000       1.118000      149.9482      110.3  
1 1 1 37 13 18 o 0.2295000      1.128000      162.9854      106.0  
1 1 1 37 13 19 o 0.8948000E-01  1.333000      78.19900      129.2  
1 1 1 37 13 20 o 1.285000       1.172000      61.33775      147.1  
1 1 1 37 13 21 o -0.3410000     1.027000      129.6413      171.4  
1 1 1 37 13 22 o 0.7134000      1.045000      153.1998      -122.0 
1 1 1 37 13 23 o 2.241000       1.051000      233.0853      153.5  
1 1 1 37 13 24 o -1.124000      1.025000      111.2111      178.4  
1 1 1 37 13 25 o 2.638000       1.036000      129.8057      -37.0  
1 1 1 37 13 26 o -0.1062000     1.044000      163.0508      78.4   
1 1 1 37 13 27 o 2.276000       1.054000      139.5853      150.4  
1 1 1 37 13 28 o -0.7785000     1.057000      183.5374      -113.5 
1 1 1 37 13 29 o 1.216000       1.226000      183.1690      167.5  
1 1 1 37 13 30 o 0.2736000      1.247000      96.02190      36.1   
1 1 1 37 13 31 o -0.2277000     1.416000      89.48336      94.1   
1 1 1 37 13 32 o 1.304000       1.169000      ?             ?      
1 1 1 37 13 33 o 1.222000       1.166000      ?             ?      
1 1 1 37 13 34 o 0.1330000      1.047000      ?             ?      
1 1 1 37 13 35 o 1.125000       1.051000      ?             ?      
1 1 1 37 13 36 o 2.350000       1.053000      ?             ?      
1 1 1 37 13 37 o -0.7429000     1.058000      ?             ?      
1 1 1 37 13 38 o 2.983000       1.290000      ?             ?      
1 1 1 37 13 39 o -0.5036000     1.276000      ?             ?      
1 1 1 37 13 40 o 3.127000       1.341000      ?             ?      
1 1 1 37 13 41 o 0.3105000      1.053000      ?             ?      
1 1 1 37 13 42 o -0.3001000     0.9866000     ?             ?      
1 1 1 37 13 43 o 0.7063000      1.066000      ?             ?      
1 1 1 37 13 44 o 2.862000       1.121000      ?             ?      
1 1 1 37 13 45 o -0.2686000     1.144000      ?             ?      
1 1 1 37 13 46 o 0.4866000      1.102000      ?             ?      
1 1 1 37 13 47 o 0.3047000      1.103000      ?             ?      
1 1 1 37 13 48 o 0.4414000      1.054000      ?             ?      
1 1 1 37 13 49 o -1.586000      1.290000      ?             ?      
1 1 1 37 13 50 o -0.1912000     1.212000      ?             ?      
1 1 1 37 13 51 o -1.269000      1.272000      ?             ?      
1 1 1 37 13 52 o -0.4629000     1.295000      ?             ?      
1 1 1 37 13 53 o 1.401000       1.244000      ?             ?      
1 1 1 37 13 54 o -1.543000      1.139000      ?             ?      
1 1 1 37 13 55 o 1.796000       1.179000      ?             ?      
1 1 1 37 14 0  o 0.1735000      1.427000      179.1517      90.0   
1 1 1 37 14 1  o 0.8234000      1.026000      147.2701      172.6  
1 1 1 37 14 2  o 3.060000       1.204000      247.9160      70.9   
1 1 1 37 14 3  o 2.824000       1.062000      266.8581      -175.5 
1 1 1 37 14 4  o -0.5673000E-02 0.9789000     98.15468      -161.3 
1 1 1 37 14 5  o 3.206000       1.028000      124.6275      101.8  
1 1 1 37 14 6  o 1.655000       0.9926000     50.20834      -171.6 
1 1 1 37 14 7  o 1.742000       0.9987000     103.3140      131.0  
1 1 1 37 14 8  o -1.394000      1.004000      201.7035      7.7    
1 1 1 37 14 9  o 0.7443000      1.032000      172.3202      44.1   
1 1 1 37 14 10 o 1.935000       1.047000      170.1193      -53.1  
1 1 1 37 14 11 o -1.013000      1.045000      104.0825      64.8   
1 1 1 37 14 12 o 2.830000       1.146000      255.5816      -169.8 
1 1 1 37 14 13 o 1.009000       1.074000      141.8568      58.3   
1 1 1 37 14 14 o 2.786000       1.209000      65.98252      -43.2  
1 1 1 37 14 15 o 2.194000       1.178000      279.1300      -138.8 
1 1 1 37 14 16 o 1.958000       1.159000      133.3644      -167.6 
1 1 1 37 14 17 o 1.866000       1.365000      82.11373      87.9   
1 1 1 37 14 18 o 0.5810000      1.324000      68.46746      -33.2  
1 1 1 37 14 19 o 3.875000       1.139000      151.7549      -119.4 
1 1 1 37 14 20 o 0.8487000      1.131000      178.7664      158.0  
1 1 1 37 14 21 o -0.5244000     1.052000      50.46733      -40.4  
1 1 1 37 14 22 o 0.6006000      1.032000      80.18824      -59.7  
1 1 1 37 14 23 o 0.9589000E-01  1.043000      47.13907      -54.6  
1 1 1 37 14 24 o 0.6051000      1.053000      148.0532      -93.2  
1 1 1 37 14 25 o 0.7163000      1.043000      98.92255      179.7  
1 1 1 37 14 26 o -2.207000      1.038000      37.58967      -135.9 
1 1 1 37 14 27 o 0.8566000      1.051000      80.18809      -135.3 
1 1 1 37 14 28 o 1.875000       1.083000      92.77590      -82.5  
1 1 1 37 14 29 o -1.975000      1.268000      42.80066      -57.0  
1 1 1 37 14 30 o 1.445000       1.306000      21.88208      -104.5 
1 1 1 37 14 31 o 0.7543000      1.246000      218.9286      6.7    
1 1 1 37 14 32 o 2.274000       1.195000      ?             ?      
1 1 1 37 14 33 o -0.7855000     1.052000      ?             ?      
1 1 1 37 14 34 o 0.8227000      1.049000      ?             ?      
1 1 1 37 14 35 o -0.3861000     1.030000      ?             ?      
1 1 1 37 14 36 o 1.154000       1.023000      ?             ?      
1 1 1 37 14 37 o 0.4677000      1.027000      ?             ?      
1 1 1 37 14 38 o -0.5102000     1.256000      ?             ?      
1 1 1 37 14 39 o -1.442000      1.243000      ?             ?      
1 1 1 37 14 40 o 0.7991000      1.296000      ?             ?      
1 1 1 37 14 41 o 0.4632000      1.040000      ?             ?      
1 1 1 37 14 42 o -1.841000      1.046000      ?             ?      
1 1 1 37 14 43 o 0.5143000      1.004000      ?             ?      
1 1 1 37 14 44 o -1.874000      1.045000      ?             ?      
1 1 1 37 14 45 o -0.3498000     1.103000      ?             ?      
1 1 1 37 14 46 o -1.313000      1.088000      ?             ?      
1 1 1 37 14 47 o -1.116000      1.098000      ?             ?      
1 1 1 37 14 48 o -0.2193000     1.028000      ?             ?      
1 1 1 37 14 49 o 1.084000       1.078000      ?             ?      
1 1 1 37 14 50 o 2.287000       1.471000      ?             ?      
1 1 1 37 14 51 o -1.929000      1.319000      ?             ?      
1 1 1 37 14 52 o -0.3916000     1.226000      ?             ?      
1 1 1 37 14 53 o 3.003000       1.217000      ?             ?      
1 1 1 37 14 54 o -0.5520000     1.147000      ?             ?      
1 1 1 37 14 55 o -0.6864000     1.167000      ?             ?      
1 1 1 37 15 0  o -1.408000      1.638000      14.67483      90.0   
1 1 1 37 15 1  o 0.3638000      1.056000      56.74434      -114.7 
1 1 1 37 15 2  o 1.453000       0.9810000     136.5841      -92.4  
1 1 1 37 15 3  o 1.282000       0.9695000     183.4550      133.7  
1 1 1 37 15 4  o 1.025000       1.009000      91.35493      -111.2 
1 1 1 37 15 5  o 4.928000       1.059000      252.2771      -85.4  
1 1 1 37 15 6  o 1.561000       0.9997000     140.1053      -107.7 
1 1 1 37 15 7  o 1.059000       0.9992000     136.1481      115.4  
1 1 1 37 15 8  o 2.973000       1.024000      242.3588      124.1  
1 1 1 37 15 9  o 1.572000       1.035000      227.1394      174.4  
1 1 1 37 15 10 o 1.084000       1.061000      85.26457      -104.3 
1 1 1 37 15 11 o 1.658000       1.084000      211.8482      26.3   
1 1 1 37 15 12 o 1.483000       1.084000      108.1397      -166.4 
1 1 1 37 15 13 o 1.536000       1.064000      34.97630      -119.7 
1 1 1 37 15 14 o 0.3379000      1.308000      163.6140      137.4  
1 1 1 37 15 15 o 1.675000       1.326000      141.4867      -159.9 
1 1 1 37 15 16 o 1.974000       1.151000      111.6627      -91.4  
1 1 1 37 15 17 o 1.049000       1.125000      95.15120      -39.0  
1 1 1 37 15 18 o 0.5707000      1.127000      143.4096      -171.9 
1 1 1 37 15 19 o 0.5147000      1.127000      97.13216      -141.2 
1 1 1 37 15 20 o 0.4820000      1.115000      49.32465      -21.6  
1 1 1 37 15 21 o 4.353000       1.168000      208.9641      177.4  
1 1 1 37 15 22 o 0.1274000      1.057000      136.1583      105.1  
1 1 1 37 15 23 o 0.1214000      1.048000      23.01045      23.0   
1 1 1 37 15 24 o -0.5639000     1.060000      116.0482      -58.8  
1 1 1 37 15 25 o 0.7513000      1.082000      150.7327      -24.9  
1 1 1 37 15 26 o 2.118000       1.067000      67.82758      95.5   
1 1 1 37 15 27 o 2.222000       1.081000      173.3935      -155.2 
1 1 1 37 15 28 o -0.2152000     1.112000      85.50893      -89.1  
1 1 1 37 15 29 o 0.1166000      1.268000      228.6425      50.4   
1 1 1 37 15 30 o 1.426000       1.429000      149.1846      101.6  
1 1 1 37 15 31 o 1.699000       1.192000      ?             ?      
1 1 1 37 15 32 o 1.232000       1.126000      ?             ?      
1 1 1 37 15 33 o 0.4595000      1.048000      ?             ?      
1 1 1 37 15 34 f 1.395000       1.035000      ?             ?      
1 1 1 37 15 35 o 0.5693000      1.027000      ?             ?      
1 1 1 37 15 36 o 1.031000       1.016000      ?             ?      
1 1 1 37 15 37 o -0.6233000     1.031000      ?             ?      
1 1 1 37 15 38 o -1.014000      1.233000      ?             ?      
1 1 1 37 15 39 o 0.5880000E-01  1.222000      ?             ?      
1 1 1 37 15 40 o 0.7902000      1.270000      ?             ?      
1 1 1 37 15 41 o 0.8049000      1.039000      ?             ?      
1 1 1 37 15 42 o 1.823000       1.040000      ?             ?      
1 1 1 37 15 43 o -0.7817000E-01 0.9755000     ?             ?      
1 1 1 37 15 44 o 0.3103000      1.037000      ?             ?      
1 1 1 37 15 45 o 3.064000       1.067000      ?             ?      
1 1 1 37 15 46 o -0.5721000     1.148000      ?             ?      
1 1 1 37 15 47 o 0.9825000      1.108000      ?             ?      
1 1 1 37 15 48 o 0.6677000      1.088000      ?             ?      
1 1 1 37 15 49 o 1.078000       1.129000      ?             ?      
1 1 1 37 15 50 o 1.549000       1.199000      ?             ?      
1 1 1 37 15 51 o 0.5115000      1.270000      ?             ?      
1 1 1 37 15 52 o -0.5928000     1.223000      ?             ?      
1 1 1 37 15 53 o -1.001000      1.116000      ?             ?      
1 1 1 37 15 54 o 0.1786000      1.144000      ?             ?      
1 1 1 37 15 55 o 0.6470000      1.369000      ?             ?      
1 1 1 37 16 0  o -0.9274000     1.331000      23.22490      -90.0  
1 1 1 37 16 1  o -0.5635000     0.9244000     58.96852      115.8  
1 1 1 37 16 2  o -1.666000      1.012000      48.64877      77.0   
1 1 1 37 16 3  o -2.067000      1.093000      124.6287      -34.4  
1 1 1 37 16 4  o 0.5303000      1.105000      125.1974      -44.4  
1 1 1 37 16 5  o -0.5963000     0.9896000     136.4279      46.2   
1 1 1 37 16 6  o -0.1267000     0.9871000     67.07549      -46.5  
1 1 1 37 16 7  o -0.4194000     1.018000      121.5931      -142.0 
1 1 1 37 16 8  o 0.5574000      1.029000      110.1516      9.3    
1 1 1 37 16 9  o 0.5034000      1.070000      76.92394      60.1   
1 1 1 37 16 10 o 1.285000       1.079000      42.01988      160.0  
1 1 1 37 16 11 o 0.8343000      1.068000      41.71358      -148.7 
1 1 1 37 16 12 o -0.4002000     1.149000      45.77740      143.3  
1 1 1 37 16 13 o -2.176000      1.076000      55.18620      -3.4   
1 1 1 37 16 14 o 1.248000       1.176000      161.7220      -85.1  
1 1 1 37 16 15 o 0.8913000      1.144000      127.9279      -150.6 
1 1 1 37 16 16 o 0.8968000E-01  1.164000      101.2535      33.7   
1 1 1 37 16 17 o 0.5872000      1.144000      129.8321      -39.9  
1 1 1 37 16 18 o -0.4404000     1.122000      77.11179      -22.8  
1 1 1 37 16 19 o 0.6526000      1.105000      115.3398      -118.2 
1 1 1 37 16 20 o 0.4664000      1.127000      134.5872      178.3  
1 1 1 37 16 21 o 1.811000       1.150000      71.20041      -58.9  
1 1 1 37 16 22 o 3.932000       1.217000      195.5658      -40.6  
1 1 1 37 16 23 o 0.2781000      1.063000      25.55271      -92.7  
1 1 1 37 16 24 o 1.059000       1.071000      154.0554      -60.8  
1 1 1 37 16 25 o 0.1660000      1.087000      26.83849      70.3   
1 1 1 37 16 26 o -0.2404000     1.071000      67.77489      -90.5  
1 1 1 37 16 27 o -1.398000      1.095000      113.3492      149.4  
1 1 1 37 16 28 o 1.116000       1.261000      43.38092      -150.7 
1 1 1 37 16 29 o 1.561000       1.370000      30.05252      173.6  
1 1 1 37 16 30 o -0.8776000     1.336000      ?             ?      
1 1 1 37 16 31 o -1.936000      1.139000      ?             ?      
1 1 1 37 16 32 o 0.3980000E-01  1.044000      ?             ?      
1 1 1 37 16 33 o 0.5231000      1.031000      ?             ?      
1 1 1 37 16 34 o -1.680000      1.027000      ?             ?      
1 1 1 37 16 35 o -0.7757000     1.030000      ?             ?      
1 1 1 37 16 36 o 1.494000       1.037000      ?             ?      
1 1 1 37 16 37 o 0.6538000      1.026000      ?             ?      
1 1 1 37 16 38 o -0.8310000     1.221000      ?             ?      
1 1 1 37 16 39 o -0.2115000E-01 1.216000      ?             ?      
1 1 1 37 16 40 o -0.7966000     1.255000      ?             ?      
1 1 1 37 16 41 o 0.3649000      1.046000      ?             ?      
1 1 1 37 16 42 o -0.7322000     1.035000      ?             ?      
1 1 1 37 16 43 o -0.1770000     0.9727000     ?             ?      
1 1 1 37 16 44 o -1.435000      0.9822000     ?             ?      
1 1 1 37 16 45 o 1.242000       1.068000      ?             ?      
1 1 1 37 16 46 o -0.2563000     1.066000      ?             ?      
1 1 1 37 16 47 o -0.3068000E-01 1.095000      ?             ?      
1 1 1 37 16 48 o -0.4098000     1.101000      ?             ?      
1 1 1 37 16 49 o -0.9355000E-01 1.174000      ?             ?      
1 1 1 37 16 50 o -1.827000      1.190000      ?             ?      
1 1 1 37 16 51 o -0.7363000     1.157000      ?             ?      
1 1 1 37 16 52 o -1.537000      1.170000      ?             ?      
1 1 1 37 16 53 o 0.5455000      1.118000      ?             ?      
1 1 1 37 16 54 o 1.236000       1.578000      ?             ?      
1 1 1 37 17 0  o 0.4445000      1.303000      44.01905      -90.0  
1 1 1 37 17 1  o 0.2881000      0.9344000     118.0032      -26.8  
1 1 1 37 17 2  o -0.5801000     0.9153000     73.00105      120.2  
1 1 1 37 17 3  o -0.1610000     0.9349000     106.9405      48.7   
1 1 1 37 17 4  o 1.525000       0.9936000     117.0228      94.1   
1 1 1 37 17 5  o 0.3416000      1.007000      32.28696      -40.8  
1 1 1 37 17 6  o -1.068000      1.152000      55.53841      -152.7 
1 1 1 37 17 7  o 0.7451000      1.123000      120.0112      129.8  
1 1 1 37 17 8  o 0.8116000E-01  1.015000      93.11670      164.7  
1 1 1 37 17 9  o 0.2596000E-01  1.113000      53.22375      -164.0 
1 1 1 37 17 10 o 0.4026000      1.154000      85.71872      -9.0   
1 1 1 37 17 11 o -0.3089000     1.071000      105.0603      67.2   
1 1 1 37 17 12 o -0.9172000     1.087000      165.8088      164.2  
1 1 1 37 17 13 o -0.5263000     1.096000      104.2529      -6.7   
1 1 1 37 17 14 o -2.265000      1.156000      72.98917      166.6  
1 1 1 37 17 15 o 1.448000       1.185000      36.73112      -171.4 
1 1 1 37 17 16 o 1.104000       1.163000      104.4523      -113.2 
1 1 1 37 17 17 o 1.983000       1.152000      68.72000      142.5  
1 1 1 37 17 18 o -0.3717000     1.121000      128.8389      -74.8  
1 1 1 37 17 19 o 1.480000       1.117000      50.09607      -109.1 
1 1 1 37 17 20 o -0.1296000     1.125000      41.78300      58.8   
1 1 1 37 17 21 o 1.052000       1.143000      68.67886      -161.3 
1 1 1 37 17 22 o -0.1415000     1.151000      108.0135      78.5   
1 1 1 37 17 23 o 0.1076000      1.193000      74.08478      60.5   
1 1 1 37 17 24 o -0.2049000     1.067000      48.16624      -92.0  
1 1 1 37 17 25 o 0.9347000      1.083000      160.5951      -11.6  
1 1 1 37 17 26 o 1.600000       1.108000      88.89203      121.1  
1 1 1 37 17 27 o -0.1318000     1.139000      55.62726      -143.2 
1 1 1 37 17 28 o -0.2029000     1.242000      42.19063      -147.7 
1 1 1 37 17 29 o 0.1762000      1.305000      88.76113      12.5   
1 1 1 37 17 30 o -1.418000      1.150000      ?             ?      
1 1 1 37 17 31 o 1.238000       1.097000      ?             ?      
1 1 1 37 17 32 o 0.6546000      1.024000      ?             ?      
1 1 1 37 17 33 o -0.6584000     1.016000      ?             ?      
1 1 1 37 17 34 o 0.2273000      1.020000      ?             ?      
1 1 1 37 17 35 o -1.258000      1.022000      ?             ?      
1 1 1 37 17 36 o 0.4516000      1.028000      ?             ?      
1 1 1 37 17 37 o -0.5783000     1.009000      ?             ?      
1 1 1 37 17 38 o 1.202000       1.020000      ?             ?      
1 1 1 37 17 39 o 1.733000       1.226000      ?             ?      
1 1 1 37 17 40 o -0.8434000     1.195000      ?             ?      
1 1 1 37 17 41 o 0.2493000      1.062000      ?             ?      
1 1 1 37 17 42 o -1.176000      1.042000      ?             ?      
1 1 1 37 17 43 o 0.4926000      1.044000      ?             ?      
1 1 1 37 17 44 o -0.3548000     0.9835000     ?             ?      
1 1 1 37 17 45 o 1.184000       1.040000      ?             ?      
1 1 1 37 17 46 o -0.5156000E-01 1.041000      ?             ?      
1 1 1 37 17 47 o -1.447000      1.149000      ?             ?      
1 1 1 37 17 48 o -0.5379000     1.107000      ?             ?      
1 1 1 37 17 49 o 0.3930000      1.248000      ?             ?      
1 1 1 37 17 50 o -2.569000      1.191000      ?             ?      
1 1 1 37 17 51 o 1.381000       1.157000      ?             ?      
1 1 1 37 17 52 o -1.329000      1.060000      ?             ?      
1 1 1 37 17 53 f 1.465000       1.115000      ?             ?      
1 1 1 37 17 54 f 1.988000       1.576000      ?             ?      
1 1 1 37 18 0  o -1.244000      1.262000      46.61608      -90.0  
1 1 1 37 18 1  o -0.8274000E-01 0.9275000     41.63289      -66.0  
1 1 1 37 18 2  o 0.3082000      0.9451000     39.96324      135.9  
1 1 1 37 18 3  o 0.6505000      0.9768000     126.2601      -165.4 
1 1 1 37 18 4  o 0.2868000E-02  1.035000      50.66962      35.5   
1 1 1 37 18 5  o -0.2844000     1.037000      15.96183      -106.1 
1 1 1 37 18 6  o 0.1117000      1.043000      114.8899      -70.5  
1 1 1 37 18 7  o -0.7466000     1.052000      55.60629      -51.7  
1 1 1 37 18 8  o -0.5404000     1.101000      61.83659      142.1  
1 1 1 37 18 9  o -1.679000      1.121000      67.69434      53.5   
1 1 1 37 18 10 o -2.693000      1.059000      70.00373      159.0  
1 1 1 37 18 11 o -0.4037000     1.075000      20.50780      150.6  
1 1 1 37 18 12 o -1.150000      1.132000      59.40096      91.5   
1 1 1 37 18 13 o -0.5413000     1.140000      70.70472      -43.8  
1 1 1 37 18 14 o 0.3437000      1.083000      15.94587      134.6  
1 1 1 37 18 15 o 1.479000       1.171000      92.78534      -79.1  
1 1 1 37 18 16 o -0.6863000     1.157000      117.7600      -24.7  
1 1 1 37 18 17 o -0.1036000     1.164000      75.54522      3.6    
1 1 1 37 18 18 o 0.4619000      1.142000      88.49324      -21.3  
1 1 1 37 18 19 o 0.5658000      1.142000      51.83855      -12.6  
1 1 1 37 18 20 o 1.967000       1.143000      58.96709      -89.5  
1 1 1 37 18 21 o 1.797000       1.150000      44.42495      -0.0   
1 1 1 37 18 22 o 0.8844000      1.148000      83.94910      -97.7  
1 1 1 37 18 23 o 0.2111000      1.159000      53.54971      -77.9  
1 1 1 37 18 24 o 1.286000       1.206000      9.333251      -179.3 
1 1 1 37 18 25 o 1.772000       1.067000      83.40500      37.0   
1 1 1 37 18 26 o 0.2146000      1.099000      53.42341      109.2  
1 1 1 37 18 27 o -1.663000      1.246000      47.20439      -164.2 
1 1 1 37 18 28 o 0.2563000      1.326000      108.4134      -21.3  
1 1 1 37 18 29 o -0.3060000     1.321000      ?             ?      
1 1 1 37 18 30 o 1.710000       1.160000      ?             ?      
1 1 1 37 18 31 o 0.1674000      1.086000      ?             ?      
1 1 1 37 18 32 o -0.3654000     1.026000      ?             ?      
1 1 1 37 18 33 o -0.1834000     1.015000      ?             ?      
1 1 1 37 18 34 o 0.5139000      1.112000      ?             ?      
1 1 1 37 18 35 o -0.9211000     1.008000      ?             ?      
1 1 1 37 18 36 o -0.7212000     1.018000      ?             ?      
1 1 1 37 18 37 o -0.2630000E-01 0.9966000     ?             ?      
1 1 1 37 18 38 o -1.282000      1.004000      ?             ?      
1 1 1 37 18 39 o 0.3770000      1.179000      ?             ?      
1 1 1 37 18 40 o 0.2178000      1.182000      ?             ?      
1 1 1 37 18 41 o -1.036000      1.238000      ?             ?      
1 1 1 37 18 42 o -0.3461000     1.044000      ?             ?      
1 1 1 37 18 43 o -0.4017000     1.052000      ?             ?      
1 1 1 37 18 44 o 0.9051000      0.9894000     ?             ?      
1 1 1 37 18 45 o 0.1739000      0.9935000     ?             ?      
1 1 1 37 18 46 o 0.1813000      1.034000      ?             ?      
1 1 1 37 18 47 o -0.9508000     1.052000      ?             ?      
1 1 1 37 18 48 o 0.3759000      1.268000      ?             ?      
1 1 1 37 18 49 o -0.2590000     1.298000      ?             ?      
1 1 1 37 18 50 o 0.7015000      1.576000      ?             ?      
1 1 1 37 18 51 o 2.045000       1.146000      ?             ?      
1 1 1 37 18 52 o -1.347000      1.065000      ?             ?      
1 1 1 37 18 53 o 0.3664000      1.071000      ?             ?      
1 1 1 37 18 54 o -2.022000      2.584000      ?             ?      
1 1 1 37 19 0  o -1.834000      1.340000      32.39590      90.0   
1 1 1 37 19 1  o -0.3825000E-01 0.9993000     115.0075      -49.1  
1 1 1 37 19 2  o -1.934000      0.9883000     37.93478      121.0  
1 1 1 37 19 3  o 0.6291000      1.065000      51.88567      -56.5  
1 1 1 37 19 4  o -1.270000      1.038000      35.76918      10.7   
1 1 1 37 19 5  o 1.503000       1.031000      58.37893      -23.0  
1 1 1 37 19 6  o -1.142000      1.004000      37.43535      -79.3  
1 1 1 37 19 7  o -0.9047000E-01 1.007000      29.49526      148.1  
1 1 1 37 19 8  o -0.7042000E-01 1.015000      26.74591      26.6   
1 1 1 37 19 9  o -1.619000      1.030000      61.96362      -128.8 
1 1 1 37 19 10 o -1.191000      1.054000      58.31104      -120.5 
1 1 1 37 19 11 o -1.127000      1.154000      13.01757      42.2   
1 1 1 37 19 12 o 0.5717000      1.172000      61.12586      141.8  
1 1 1 37 19 13 o 0.9822000      1.069000      45.41140      -43.9  
1 1 1 37 19 14 o -0.5325000     1.119000      53.95185      51.7   
1 1 1 37 19 15 o -0.3221000E-01 1.190000      19.11185      -90.8  
1 1 1 37 19 16 o 0.8745000E-01  1.161000      97.73711      70.4   
1 1 1 37 19 17 o -2.189000      1.168000      92.84749      130.0  
1 1 1 37 19 18 o -0.3276000     1.163000      51.93652      -98.1  
1 1 1 37 19 19 o 0.4129000      1.116000      91.09140      85.3   
1 1 1 37 19 20 o 1.381000       1.160000      15.91882      -53.4  
1 1 1 37 19 21 o 0.6434000      1.149000      73.78719      -11.0  
1 1 1 37 19 22 o 0.4578000      1.156000      44.51170      129.6  
1 1 1 37 19 23 o -0.9278000     1.163000      39.63840      38.5   
1 1 1 37 19 24 o 0.4583000      1.149000      44.77197      66.3   
1 1 1 37 19 25 o -0.6130000     1.137000      87.90626      -51.2  
1 1 1 37 19 26 o -0.6112000     1.138000      115.3765      114.5  
1 1 1 37 19 27 o 0.2107000      1.329000      90.05240      -160.1 
1 1 1 37 19 28 o -0.8318000     1.264000      ?             ?      
1 1 1 37 19 29 o -0.4910000     1.170000      ?             ?      
1 1 1 37 19 30 o -0.8001000E-01 1.108000      ?             ?      
1 1 1 37 19 31 o 1.045000       1.039000      ?             ?      
1 1 1 37 19 32 o 0.4211000      1.032000      ?             ?      
1 1 1 37 19 33 o 0.3766000E-02  1.012000      ?             ?      
1 1 1 37 19 34 o 1.551000       1.009000      ?             ?      
1 1 1 37 19 35 o 0.3369000      1.013000      ?             ?      
1 1 1 37 19 36 o 0.6316000E-01  1.006000      ?             ?      
1 1 1 37 19 37 o -1.082000      0.9861000     ?             ?      
1 1 1 37 19 38 o -0.5346000E-01 0.9849000     ?             ?      
1 1 1 37 19 39 o -0.8532000     1.154000      ?             ?      
1 1 1 37 19 40 o -1.145000      1.155000      ?             ?      
1 1 1 37 19 41 o 0.5225000      1.238000      ?             ?      
1 1 1 37 19 42 o -0.7647000     1.050000      ?             ?      
1 1 1 37 19 43 o 1.144000       1.070000      ?             ?      
1 1 1 37 19 44 o 0.5097000      0.9977000     ?             ?      
1 1 1 37 19 45 o -0.5402000     0.9810000     ?             ?      
1 1 1 37 19 46 o 1.303000       1.037000      ?             ?      
1 1 1 37 19 47 o 0.1256000      1.058000      ?             ?      
1 1 1 37 19 48 o 0.2502000      1.414000      ?             ?      
1 1 1 37 19 49 o 2.645000       1.501000      ?             ?      
1 1 1 37 19 50 o 0.8900000      1.218000      ?             ?      
1 1 1 37 19 51 o -0.6005000     1.047000      ?             ?      
1 1 1 37 19 52 o -0.1635000     1.063000      ?             ?      
1 1 1 37 19 53 o -2.075000      1.532000      ?             ?      
1 1 1 37 20 0  o -0.7350000E-01 1.272000      20.64366      90.0   
1 1 1 37 20 1  o 0.7459000      0.9699000     18.57013      -165.8 
1 1 1 37 20 2  o -0.8309000     1.048000      63.76783      -77.2  
1 1 1 37 20 3  o 0.1672000      1.133000      45.96017      134.2  
1 1 1 37 20 4  o -0.9242000     1.024000      30.66850      94.8   
1 1 1 37 20 5  o 1.149000       1.033000      25.37911      -79.1  
1 1 1 37 20 6  o -0.3365000     1.036000      85.13486      37.8   
1 1 1 37 20 7  o 0.9213000      1.042000      30.49138      -173.5 
1 1 1 37 20 8  o -1.401000      1.028000      30.52802      -50.2  
1 1 1 37 20 9  o 0.7222000      1.044000      55.61753      12.4   
1 1 1 37 20 10 o -1.317000      1.033000      49.71122      -137.2 
1 1 1 37 20 11 o 0.7491000E-03  1.034000      8.660708      70.7   
1 1 1 37 20 12 o 0.5452000      1.041000      32.33520      -12.4  
1 1 1 37 20 13 o 0.2290000      1.069000      37.27372      40.7   
1 1 1 37 20 14 o 1.519000       1.189000      8.930469      -3.1   
1 1 1 37 20 15 o -0.8156000     1.348000      30.92187      -128.1 
1 1 1 37 20 16 o 1.040000       1.170000      11.38614      -28.0  
1 1 1 37 20 17 o -1.152000      1.211000      34.44802      118.9  
1 1 1 37 20 18 o -0.2720000     1.229000      23.07784      -65.0  
1 1 1 37 20 19 o -0.7259000     1.182000      46.92838      54.9   
1 1 1 37 20 20 o 0.6346000E-01  1.188000      29.36579      -37.8  
1 1 1 37 20 21 o 1.696000       1.164000      41.08083      174.7  
1 1 1 37 20 22 o 0.8199000      1.165000      65.16447      -148.3 
1 1 1 37 20 23 o -1.721000      1.166000      39.59103      -6.1   
1 1 1 37 20 24 o 0.4664000      1.239000      31.40951      102.1  
1 1 1 37 20 25 o -2.195000      1.332000      38.16269      -154.2 
1 1 1 37 20 26 o -1.738000      1.195000      19.97775      15.5   
1 1 1 37 20 27 o 0.6430000      1.266000      ?             ?      
1 1 1 37 20 28 o 1.273000       1.316000      ?             ?      
1 1 1 37 20 29 o -0.3142000     1.125000      ?             ?      
1 1 1 37 20 30 o -1.192000      1.095000      ?             ?      
1 1 1 37 20 31 o 0.5989000      1.038000      ?             ?      
1 1 1 37 20 32 o -2.783000      1.017000      ?             ?      
1 1 1 37 20 33 o -0.1235000     1.008000      ?             ?      
1 1 1 37 20 34 o -0.2921000     0.9993000     ?             ?      
1 1 1 37 20 35 o 0.6929000      1.008000      ?             ?      
1 1 1 37 20 36 o -0.2561000     0.9863000     ?             ?      
1 1 1 37 20 37 o 0.7592000      0.9848000     ?             ?      
1 1 1 37 20 38 o -2.162000      0.9644000     ?             ?      
1 1 1 37 20 39 o -0.9930000     1.156000      ?             ?      
1 1 1 37 20 40 o 0.4494000      1.169000      ?             ?      
1 1 1 37 20 41 o 0.1358000      1.210000      ?             ?      
1 1 1 37 20 42 o -1.351000      1.060000      ?             ?      
1 1 1 37 20 43 o 0.5985000      1.062000      ?             ?      
1 1 1 37 20 44 o 1.087000       0.9984000     ?             ?      
1 1 1 37 20 45 o -0.3236000E-01 0.9948000     ?             ?      
1 1 1 37 20 46 o 0.2056000      0.9860000     ?             ?      
1 1 1 37 20 47 o 0.9151000      1.228000      ?             ?      
1 1 1 37 20 48 o -1.507000      1.262000      ?             ?      
1 1 1 37 20 49 o 1.052000       1.241000      ?             ?      
1 1 1 37 20 50 o 1.636000       1.193000      ?             ?      
1 1 1 37 20 51 o -0.6357000     1.040000      ?             ?      
1 1 1 37 20 52 o -1.491000      1.063000      ?             ?      
1 1 1 37 20 53 o 1.081000       1.414000      ?             ?      
1 1 1 37 21 0  o -2.060000      1.341000      5.090688      90.0   
1 1 1 37 21 1  o 1.034000       0.9160000     41.15033      43.7   
1 1 1 37 21 2  o 1.339000       0.9658000     45.07803      137.8  
1 1 1 37 21 3  f 1.032000       1.070000      24.36958      12.6   
1 1 1 37 21 4  o -0.6621000     1.272000      22.31724      120.2  
1 1 1 37 21 5  o -3.532000      1.324000      29.21288      57.8   
1 1 1 37 21 6  o -0.8666000E-01 1.117000      30.63048      2.4    
1 1 1 37 21 7  o -0.2880000     1.045000      36.27106      76.2   
1 1 1 37 21 8  o -1.993000      1.036000      20.33252      60.3   
1 1 1 37 21 9  o 0.6471000      1.044000      42.19290      -84.6  
1 1 1 37 21 10 o 0.2520000      1.035000      26.48086      3.9    
1 1 1 37 21 11 o -1.504000      1.033000      7.402487      -90.0  
1 1 1 37 21 12 o -0.7025000     1.043000      28.34396      -170.1 
1 1 1 37 21 13 o -1.269000      1.035000      30.10101      51.9   
1 1 1 37 21 14 o -0.1965000E-01 1.055000      18.99788      -48.4  
1 1 1 37 21 15 o -0.3381000E-01 1.148000      25.35433      45.7   
1 1 1 37 21 16 o -0.4610000     1.173000      27.24951      170.2  
1 1 1 37 21 17 o -0.1581000     1.365000      26.33807      -143.3 
1 1 1 37 21 18 o -1.347000      1.365000      20.91100      -158.5 
1 1 1 37 21 19 o 0.1725000E-01  1.198000      47.47556      93.8   
1 1 1 37 21 20 o 1.173000       1.245000      29.10626      45.1   
1 1 1 37 21 21 o -0.6490000     1.224000      22.23695      -71.8  
1 1 1 37 21 22 o -0.4886000     1.182000      24.63732      -176.1 
1 1 1 37 21 23 o 0.6108000      1.177000      31.46511      -7.2   
1 1 1 37 21 24 o -1.501000      1.262000      12.08572      95.1   
1 1 1 37 21 25 o 1.258000       1.371000      39.22925      -55.3  
1 1 1 37 21 26 o 0.6933000      1.442000      ?             ?      
1 1 1 37 21 27 o -2.914000      1.260000      ?             ?      
1 1 1 37 21 28 o 0.2387000      1.281000      ?             ?      
1 1 1 37 21 29 o 0.6162000      1.116000      ?             ?      
1 1 1 37 21 30 o 0.2047000      1.051000      ?             ?      
1 1 1 37 21 31 o 0.7172000      1.041000      ?             ?      
1 1 1 37 21 32 o 0.8612000      1.014000      ?             ?      
1 1 1 37 21 33 o -1.340000      0.9941000     ?             ?      
1 1 1 37 21 34 o 0.2443000E-01  1.008000      ?             ?      
1 1 1 37 21 35 o 0.1206000E-01  0.9959000     ?             ?      
1 1 1 37 21 36 o -0.8838000E-01 0.9718000     ?             ?      
1 1 1 37 21 37 o 1.253000       0.9667000     ?             ?      
1 1 1 37 21 38 o 0.4141000E-01  0.9658000     ?             ?      
1 1 1 37 21 39 o -0.8427000     1.155000      ?             ?      
1 1 1 37 21 40 o 0.5455000      1.172000      ?             ?      
1 1 1 37 21 41 o 0.5212000      1.181000      ?             ?      
1 1 1 37 21 42 o -1.168000      1.060000      ?             ?      
1 1 1 37 21 43 o -2.506000      1.044000      ?             ?      
1 1 1 37 21 44 o 1.638000       1.053000      ?             ?      
1 1 1 37 21 45 o -0.8035000     0.9831000     ?             ?      
1 1 1 37 21 46 o -0.8992000     0.9990000     ?             ?      
1 1 1 37 21 47 o 1.882000       1.235000      ?             ?      
1 1 1 37 21 48 o -2.920000      1.415000      ?             ?      
1 1 1 37 21 49 o -2.349000      1.362000      ?             ?      
1 1 1 37 21 50 o -0.7249000     1.138000      ?             ?      
1 1 1 37 21 51 o 1.533000       1.165000      ?             ?      
1 1 1 37 21 52 o -1.955000      1.510000      ?             ?      
1 1 1 37 22 0  o 0.8181000      1.353000      46.63612      -90.0  
1 1 1 37 22 1  o -0.1706000     0.9442000     31.50044      -127.5 
1 1 1 37 22 2  o 0.8947000      1.098000      4.495863      149.8  
1 1 1 37 22 3  o -0.3957000     1.060000      25.12198      -137.5 
1 1 1 37 22 4  o -1.070000      1.104000      53.43895      116.8  
1 1 1 37 22 5  o -0.2450000     1.058000      50.07635      -102.2 
1 1 1 37 22 6  o -1.409000      1.044000      43.78143      141.0  
1 1 1 37 22 7  o -0.7222000E-01 1.165000      16.10632      2.9    
1 1 1 37 22 8  o -0.6863000     1.300000      45.51284      12.4   
1 1 1 37 22 9  o -1.341000      1.133000      13.43023      125.7  
1 1 1 37 22 10 o -0.9217000     1.043000      42.71576      21.7   
1 1 1 37 22 11 o 0.3446000      1.054000      39.09988      45.0   
1 1 1 37 22 12 o 1.014000       1.070000      13.78808      154.6  
1 1 1 37 22 13 o -0.8616000     1.060000      13.39106      -168.2 
1 1 1 37 22 14 o -1.446000      1.065000      19.19025      -125.0 
1 1 1 37 22 15 o -0.2888000     1.073000      8.588419      -111.8 
1 1 1 37 22 16 o -1.125000      1.159000      65.59965      156.5  
1 1 1 37 22 17 o 1.010000       1.194000      28.50398      -85.8  
1 1 1 37 22 18 o 0.9701000E-01  1.202000      35.83779      -177.1 
1 1 1 37 22 19 o -2.228000      1.210000      12.71225      42.4   
1 1 1 37 22 20 o 0.3266000      1.377000      55.50862      -76.2  
1 1 1 37 22 21 o 2.090000       1.361000      27.70596      141.0  
1 1 1 37 22 22 o -0.1098000     1.193000      9.382916      92.5   
1 1 1 37 22 23 o -0.9868000     1.325000      9.839239      98.0   
1 1 1 37 22 24 o -1.000000      1.428000      25.83069      79.5   
1 1 1 37 22 25 o -0.3538000     1.394000      ?             ?      
1 1 1 37 22 26 o -1.960000      1.279000      ?             ?      
1 1 1 37 22 27 o -0.6923000     1.416000      ?             ?      
1 1 1 37 22 28 o -1.447000      1.131000      ?             ?      
1 1 1 37 22 29 o -0.2612000     1.095000      ?             ?      
1 1 1 37 22 30 o -1.677000      1.044000      ?             ?      
1 1 1 37 22 31 o -0.1086000     1.038000      ?             ?      
1 1 1 37 22 32 o 0.5619000      1.022000      ?             ?      
1 1 1 37 22 33 o -0.3241000E-01 0.9980000     ?             ?      
1 1 1 37 22 34 o -0.2796000     0.9999000     ?             ?      
1 1 1 37 22 35 o -1.490000      0.9715000     ?             ?      
1 1 1 37 22 36 f -0.3171000     0.9635000     ?             ?      
1 1 1 37 22 37 o -0.3697000     0.9544000     ?             ?      
1 1 1 37 22 38 o 0.3834000      0.9545000     ?             ?      
1 1 1 37 22 39 o 1.396000       0.9717000     ?             ?      
1 1 1 37 22 40 o -0.5664000     1.148000      ?             ?      
1 1 1 37 22 41 o 0.7932000      1.202000      ?             ?      
1 1 1 37 22 42 o 0.6910000      1.245000      ?             ?      
1 1 1 37 22 43 o 1.526000       1.044000      ?             ?      
1 1 1 37 22 44 o 0.1450000      1.052000      ?             ?      
1 1 1 37 22 45 o -0.3363000     0.9864000     ?             ?      
1 1 1 37 22 46 o 1.072000       1.127000      ?             ?      
1 1 1 37 22 47 o -1.928000      1.243000      ?             ?      
1 1 1 37 22 48 o -2.805000      1.185000      ?             ?      
1 1 1 37 22 49 o -1.382000      1.130000      ?             ?      
1 1 1 37 22 50 o -1.789000      1.147000      ?             ?      
1 1 1 37 22 51 o -0.4711000     1.154000      ?             ?      
1 1 1 37 22 52 o -0.6815000     2.592000      ?             ?      
1 1 1 37 23 0  o 0.4167000      1.344000      31.88247      90.0   
1 1 1 37 23 1  o 0.4688000      0.9544000     41.75717      33.2   
1 1 1 37 23 2  f 0.3157000      1.099000      58.36352      -146.0 
1 1 1 37 23 3  o 1.919000       1.055000      49.80118      144.0  
1 1 1 37 23 4  o 0.4579000      1.059000      7.621589      141.5  
1 1 1 37 23 5  o -0.1694000     1.061000      25.47642      94.3   
1 1 1 37 23 6  o -1.087000      1.027000      92.12891      13.4   
1 1 1 37 23 7  o 0.1697000      1.061000      61.26271      154.4  
1 1 1 37 23 8  o -1.248000      1.138000      49.90253      39.4   
1 1 1 37 23 9  o -0.9387000     1.178000      18.30863      161.8  
1 1 1 37 23 10 o -0.9070000     1.168000      42.20290      126.3  
1 1 1 37 23 11 o -0.2557000     1.198000      20.66353      165.1  
1 1 1 37 23 12 o -3.217000      1.170000      8.673774      96.9   
1 1 1 37 23 13 o 0.6633000E-01  1.094000      32.52632      -62.8  
1 1 1 37 23 14 o -0.1731000     1.082000      36.89735      -160.7 
1 1 1 37 23 15 o -0.3743000E-01 1.087000      6.442375      -47.3  
1 1 1 37 23 16 o -1.751000      1.186000      28.42394      -116.6 
1 1 1 37 23 17 o 1.533000       1.211000      54.93863      -135.4 
1 1 1 37 23 18 o -1.251000      1.216000      17.85808      42.1   
1 1 1 37 23 19 o -0.4332000     1.214000      48.83757      8.7    
1 1 1 37 23 20 o -1.607000      1.226000      58.85131      94.5   
1 1 1 37 23 21 o -0.4253000     1.214000      46.57972      -152.5 
1 1 1 37 23 22 o 2.685000       1.329000      33.16299      -140.3 
1 1 1 37 23 23 o -2.292000      1.797000      ?             ?      
1 1 1 37 23 24 o 0.9260000      1.698000      ?             ?      
1 1 1 37 23 25 o -0.9313000E-01 1.300000      ?             ?      
1 1 1 37 23 26 o -1.911000      1.201000      ?             ?      
1 1 1 37 23 27 o -1.096000      1.377000      ?             ?      
1 1 1 37 23 28 o -0.7343000     1.360000      ?             ?      
1 1 1 37 23 29 o -0.5147000     1.073000      ?             ?      
1 1 1 37 23 30 o -0.7764000     1.029000      ?             ?      
1 1 1 37 23 31 o 1.575000       1.031000      ?             ?      
1 1 1 37 23 32 o 1.467000       1.016000      ?             ?      
1 1 1 37 23 33 o -0.7600000     0.9990000     ?             ?      
1 1 1 37 23 34 o 0.8219000      0.9945000     ?             ?      
1 1 1 37 23 35 o -0.2434000E-01 0.9580000     ?             ?      
1 1 1 37 23 36 o -0.4007000     0.9555000     ?             ?      
1 1 1 37 23 37 o 0.8444000      0.9427000     ?             ?      
1 1 1 37 23 38 o -0.9194000     0.9569000     ?             ?      
1 1 1 37 23 39 o -0.7629000     0.9633000     ?             ?      
1 1 1 37 23 40 o 0.1590000      1.150000      ?             ?      
1 1 1 37 23 41 o -0.1893000E-02 1.184000      ?             ?      
1 1 1 37 23 42 o 0.5732000      1.246000      ?             ?      
1 1 1 37 23 43 o -0.2257000     1.056000      ?             ?      
1 1 1 37 23 44 o -0.4532000     1.052000      ?             ?      
1 1 1 37 23 45 o 0.3694000      1.036000      ?             ?      
1 1 1 37 23 46 o -0.4881000     1.140000      ?             ?      
1 1 1 37 23 47 o -2.036000      1.208000      ?             ?      
1 1 1 37 23 48 o -0.5119000     1.216000      ?             ?      
1 1 1 37 23 49 o -1.366000      1.098000      ?             ?      
1 1 1 37 23 50 o -0.5388000     1.238000      ?             ?      
1 1 1 37 23 51 o -2.417000      1.653000      ?             ?      
1 1 1 37 24 0  o -0.4359000     1.385000      122.5591      -90.0  
1 1 1 37 24 1  o -0.7479000     0.9941000     47.22366      -168.3 
1 1 1 37 24 2  o 2.682000       1.080000      40.29254      -10.3  
1 1 1 37 24 3  o 0.9270000E-01  1.056000      44.22028      -170.7 
1 1 1 37 24 4  o 0.3081000      1.067000      29.87911      151.5  
1 1 1 37 24 5  o -0.7548000     1.071000      59.88025      -147.0 
1 1 1 37 24 6  o 0.1111000      1.099000      70.64467      -83.4  
1 1 1 37 24 7  o -0.9747000E-01 1.056000      99.50675      52.1   
1 1 1 37 24 8  o -1.424000      1.066000      31.46109      -12.4  
1 1 1 37 24 9  o -2.281000      1.065000      24.77583      127.8  
1 1 1 37 24 10 o 1.167000       1.153000      10.62027      -97.5  
1 1 1 37 24 11 o 1.937000       1.097000      52.75895      140.9  
1 1 1 37 24 12 o -0.8046000     1.188000      36.55023      16.0   
1 1 1 37 24 13 o -0.9647000     1.236000      77.14974      -130.6 
1 1 1 37 24 14 o -2.321000      1.222000      71.52634      -32.0  
1 1 1 37 24 15 o -0.6926000     1.201000      43.83289      -176.2 
1 1 1 37 24 16 o 2.663000       1.217000      22.31024      -109.7 
1 1 1 37 24 17 o -1.127000      1.215000      45.77465      -30.4  
1 1 1 37 24 18 o 0.2599000      1.215000      16.81859      80.5   
1 1 1 37 24 19 o 0.7370000      1.240000      53.62327      -90.6  
1 1 1 37 24 20 o -0.8489000     1.222000      31.30699      -124.9 
1 1 1 37 24 21 o 0.5196000      1.213000      24.66292      165.0  
1 1 1 37 24 22 o 0.2201000      1.313000      ?             ?      
1 1 1 37 24 23 o 0.1864000      1.412000      ?             ?      
1 1 1 37 24 24 o 0.5570000      1.396000      ?             ?      
1 1 1 37 24 25 o -1.263000      1.204000      ?             ?      
1 1 1 37 24 26 o 0.4852000      1.420000      ?             ?      
1 1 1 37 24 27 o 1.194000       1.367000      ?             ?      
1 1 1 37 24 28 o -0.6971000E-01 1.361000      ?             ?      
1 1 1 37 24 29 o -0.8161000     1.304000      ?             ?      
1 1 1 37 24 30 o 0.4813000      1.142000      ?             ?      
1 1 1 37 24 31 o -0.3174000     1.022000      ?             ?      
1 1 1 37 24 32 o -0.9894000     0.9984000     ?             ?      
1 1 1 37 24 33 o -1.111000      0.9968000     ?             ?      
1 1 1 37 24 34 o 0.2862000      0.9837000     ?             ?      
1 1 1 37 24 35 o -0.7620000     0.9620000     ?             ?      
1 1 1 37 24 36 o -1.073000      0.9520000     ?             ?      
1 1 1 37 24 37 o -1.254000      0.9447000     ?             ?      
1 1 1 37 24 38 o -1.871000      0.9456000     ?             ?      
1 1 1 37 24 39 o -1.057000      0.9656000     ?             ?      
1 1 1 37 24 40 o -1.204000      1.153000      ?             ?      
1 1 1 37 24 41 o 0.9973000      1.181000      ?             ?      
1 1 1 37 24 42 o -0.5414000     1.237000      ?             ?      
1 1 1 37 24 43 o 0.6117000      1.064000      ?             ?      
1 1 1 37 24 44 o -1.312000      1.065000      ?             ?      
1 1 1 37 24 45 o -0.5037000     1.051000      ?             ?      
1 1 1 37 24 46 o 0.2187000      1.227000      ?             ?      
1 1 1 37 24 47 o -1.756000      1.119000      ?             ?      
1 1 1 37 24 48 o -0.2852000     1.563000      ?             ?      
1 1 1 37 24 49 o 0.2909000      1.113000      ?             ?      
1 1 1 37 24 50 o -0.5180000E-01 1.138000      ?             ?      
1 1 1 37 25 0  o -3.242000      1.410000      41.42897      -90.0  
1 1 1 37 25 1  o -0.1150000     1.060000      148.1183      4.4    
1 1 1 37 25 2  o 0.8969000      1.098000      53.40988      -167.1 
1 1 1 37 25 3  o 0.3099000      1.085000      103.6224      111.4  
1 1 1 37 25 4  o 0.2418000      1.082000      18.34625      -126.8 
1 1 1 37 25 5  o 0.3967000      1.099000      49.18974      -162.8 
1 1 1 37 25 6  o -1.742000      1.116000      41.55016      138.3  
1 1 1 37 25 7  o 0.5416000      1.136000      37.27866      121.7  
1 1 1 37 25 8  o -0.6332000     1.066000      45.62200      -61.8  
1 1 1 37 25 9  o -2.395000      1.064000      25.09340      108.4  
1 1 1 37 25 10 o 1.846000       1.087000      64.70090      -143.6 
1 1 1 37 25 11 o -0.5389000     1.091000      15.75604      68.9   
1 1 1 37 25 12 o 1.527000       1.112000      30.70396      -140.7 
1 1 1 37 25 13 o -0.9761000     1.132000      42.01607      118.5  
1 1 1 37 25 14 o -0.1607000     1.156000      66.32730      -99.5  
1 1 1 37 25 15 o 0.6038000      1.267000      29.65614      89.9   
1 1 1 37 25 16 o -1.235000      1.673000      90.37418      -136.4 
1 1 1 37 25 17 o -0.7409000     1.388000      65.41997      115.4  
1 1 1 37 25 18 o 0.7654000      1.267000      148.3162      33.6   
1 1 1 37 25 19 o 0.5583000      1.234000      44.72560      -90.8  
1 1 1 37 25 20 o -1.441000      1.206000      ?             ?      
1 1 1 37 25 21 o -0.5426000     1.297000      ?             ?      
1 1 1 37 25 22 o 0.1437000      1.438000      ?             ?      
1 1 1 37 25 23 o -1.497000      1.463000      ?             ?      
1 1 1 37 25 24 o 1.085000       1.292000      ?             ?      
1 1 1 37 25 25 o 0.3739000      1.185000      ?             ?      
1 1 1 37 25 26 o -0.7419000E-02 1.385000      ?             ?      
1 1 1 37 25 27 o 0.1468000      1.366000      ?             ?      
1 1 1 37 25 28 o -0.8063000     1.370000      ?             ?      
1 1 1 37 25 29 o 0.7171000      1.353000      ?             ?      
1 1 1 37 25 30 o 0.1275000      1.356000      ?             ?      
1 1 1 37 25 31 o -1.082000      1.030000      ?             ?      
1 1 1 37 25 32 o -2.041000      1.070000      ?             ?      
1 1 1 37 25 33 o -1.460000      1.071000      ?             ?      
1 1 1 37 25 34 o -0.1419000     0.9856000     ?             ?      
1 1 1 37 25 35 o -0.1388000E-01 0.9660000     ?             ?      
1 1 1 37 25 36 o -0.3568000     0.9550000     ?             ?      
1 1 1 37 25 37 o 0.6904000      0.9547000     ?             ?      
1 1 1 37 25 38 o 0.2530000      0.9607000     ?             ?      
1 1 1 37 25 39 o -0.1680000     0.9699000     ?             ?      
1 1 1 37 25 40 o -0.5933000     1.157000      ?             ?      
1 1 1 37 25 41 o 0.8206000E-02  1.156000      ?             ?      
1 1 1 37 25 42 o 0.6250000      1.178000      ?             ?      
1 1 1 37 25 43 o 0.4711000      1.080000      ?             ?      
1 1 1 37 25 44 o -0.6144000     1.106000      ?             ?      
1 1 1 37 25 45 o -0.2088000     1.280000      ?             ?      
1 1 1 37 25 46 o 1.825000       1.200000      ?             ?      
1 1 1 37 25 47 o -0.6368000     1.114000      ?             ?      
1 1 1 37 25 48 o -0.9620000     1.032000      ?             ?      
1 1 1 37 25 49 o -0.2111000     1.206000      ?             ?      
1 1 1 37 25 50 o 0.4231000      1.749000      ?             ?      
1 1 1 37 26 0  o -0.7672000     1.429000      56.99086      -90.0  
1 1 1 37 26 1  o 2.732000       1.183000      117.2655      -144.1 
1 1 1 37 26 2  o 0.3194000      1.118000      133.7652      -9.9   
1 1 1 37 26 3  o 1.294000       1.111000      83.32984      -87.5  
1 1 1 37 26 4  o -0.5738000     1.111000      41.78384      97.2   
1 1 1 37 26 5  o -1.401000      1.148000      34.27399      -158.5 
1 1 1 37 26 6  o 1.468000       1.277000      95.30254      -46.0  
1 1 1 37 26 7  o 0.3562000      1.163000      73.15467      58.4   
1 1 1 37 26 8  o -0.2851000     1.162000      41.68156      -47.5  
1 1 1 37 26 9  o 0.2207000      1.069000      42.73682      -41.3  
1 1 1 37 26 10 o -1.985000      1.113000      49.45945      -106.2 
1 1 1 37 26 11 o 1.733000       1.140000      117.6268      -70.7  
1 1 1 37 26 12 o 2.465000       1.125000      49.06042      -25.7  
1 1 1 37 26 13 o 1.518000       1.129000      73.41463      -93.2  
1 1 1 37 26 14 o -0.7643000     1.154000      94.62517      38.6   
1 1 1 37 26 15 o 1.236000       1.160000      15.08316      -125.6 
1 1 1 37 26 16 o 1.761000       1.285000      94.48930      -126.9 
1 1 1 37 26 17 o 0.1007000      1.280000      83.47212      -47.0  
1 1 1 37 26 18 o -0.6461000     1.405000      29.05618      -0.5   
1 1 1 37 26 19 o 0.3740000E-01  1.519000      ?             ?      
1 1 1 37 26 20 o -0.7584000     1.327000      ?             ?      
1 1 1 37 26 21 o -1.176000      1.460000      ?             ?      
1 1 1 37 26 22 o -0.5488000     1.473000      ?             ?      
1 1 1 37 26 23 o 2.156000       1.269000      ?             ?      
1 1 1 37 26 24 o 0.3437000      1.196000      ?             ?      
1 1 1 37 26 25 o -0.9531000     1.165000      ?             ?      
1 1 1 37 26 26 o 1.142000       1.405000      ?             ?      
1 1 1 37 26 27 o 2.760000       1.410000      ?             ?      
1 1 1 37 26 28 o -0.3671000     1.206000      ?             ?      
1 1 1 37 26 29 o 0.2162000      1.180000      ?             ?      
1 1 1 37 26 30 o 0.2600000      1.156000      ?             ?      
1 1 1 37 26 31 o 0.1723000      1.176000      ?             ?      
1 1 1 37 26 32 o -0.1474000     1.061000      ?             ?      
1 1 1 37 26 33 o 1.938000       1.033000      ?             ?      
1 1 1 37 26 34 o -0.6059000E-02 0.9784000     ?             ?      
1 1 1 37 26 35 o 0.9146000      1.051000      ?             ?      
1 1 1 37 26 36 o 1.601000       1.061000      ?             ?      
1 1 1 37 26 37 o 0.6686000E-01  0.9828000     ?             ?      
1 1 1 37 26 38 o -1.154000      0.9715000     ?             ?      
1 1 1 37 26 39 o 1.165000       0.9789000     ?             ?      
1 1 1 37 26 40 o -0.3013000     0.9961000     ?             ?      
1 1 1 37 26 41 o -0.3477000     1.142000      ?             ?      
1 1 1 37 26 42 o 0.9293000      1.169000      ?             ?      
1 1 1 37 26 43 o -0.9147000     1.233000      ?             ?      
1 1 1 37 26 44 o -1.781000      1.119000      ?             ?      
1 1 1 37 26 45 o -3.081000      1.456000      ?             ?      
1 1 1 37 26 46 o -1.960000      1.124000      ?             ?      
1 1 1 37 26 47 o 0.3733000      1.218000      ?             ?      
1 1 1 37 26 48 o 0.7775000E-01  1.167000      ?             ?      
1 1 1 37 26 49 o -0.6640000E-01 1.180000      ?             ?      
1 1 1 37 27 0  o 0.8549000      1.413000      26.67475      -90.0  
1 1 1 37 27 1  o 0.1424000      1.147000      121.0902      50.6   
1 1 1 37 27 2  o -1.667000      1.100000      125.3909      -173.6 
1 1 1 37 27 3  o 0.6227000E-01  1.101000      70.90283      82.5   
1 1 1 37 27 4  o -0.7197000     1.113000      41.17688      -141.3 
1 1 1 37 27 5  o 0.7622000      1.148000      128.0880      139.4  
1 1 1 37 27 6  o 0.5803000      1.153000      91.60595      31.8   
1 1 1 37 27 7  o 3.082000       1.197000      150.4667      42.3   
1 1 1 37 27 8  o 0.7958000      1.164000      37.19872      63.8   
1 1 1 37 27 9  o 0.6669000      1.089000      63.99119      50.8   
1 1 1 37 27 10 o 0.4138000      1.112000      107.9803      157.9  
1 1 1 37 27 11 f 2.261000       1.116000      107.5322      103.9  
1 1 1 37 27 12 o 0.3271000E-02  1.113000      44.54541      104.5  
1 1 1 37 27 13 o 0.4332000      1.125000      61.42572      -179.6 
1 1 1 37 27 14 o 0.8828000      1.134000      49.50885      2.3    
1 1 1 37 27 15 o 0.5260000      1.129000      78.60939      113.0  
1 1 1 37 27 16 o 0.6838000      1.233000      74.53587      -67.2  
1 1 1 37 27 17 o -1.183000      1.230000      ?             ?      
1 1 1 37 27 18 o 3.178000       1.252000      ?             ?      
1 1 1 37 27 19 o 0.1270000      1.245000      ?             ?      
1 1 1 37 27 20 o 0.4137000      1.556000      ?             ?      
1 1 1 37 27 21 o -0.4734000     1.493000      ?             ?      
1 1 1 37 27 22 o 0.9909000      1.463000      ?             ?      
1 1 1 37 27 23 o 2.656000       1.341000      ?             ?      
1 1 1 37 27 24 o -2.050000      1.195000      ?             ?      
1 1 1 37 27 25 o -1.995000      1.305000      ?             ?      
1 1 1 37 27 26 o 2.508000       1.465000      ?             ?      
1 1 1 37 27 27 o -0.3879000     1.428000      ?             ?      
1 1 1 37 27 28 o -1.212000      1.185000      ?             ?      
1 1 1 37 27 29 o -0.2601000     1.146000      ?             ?      
1 1 1 37 27 30 o 0.7895000      1.127000      ?             ?      
1 1 1 37 27 31 o 1.466000       1.108000      ?             ?      
1 1 1 37 27 32 o 0.5067000      1.108000      ?             ?      
1 1 1 37 27 33 f 0.1764000      1.007000      ?             ?      
1 1 1 37 27 34 o 0.6357000      0.9744000     ?             ?      
1 1 1 37 27 35 o 1.157000       1.023000      ?             ?      
1 1 1 37 27 36 o 0.5959000      1.019000      ?             ?      
1 1 1 37 27 37 o 0.5643000      0.9924000     ?             ?      
1 1 1 37 27 38 o -0.6544000     1.082000      ?             ?      
1 1 1 37 27 39 o -0.4616000     1.069000      ?             ?      
1 1 1 37 27 40 o 0.2707000E-02  1.001000      ?             ?      
1 1 1 37 27 41 o 0.7790000      1.159000      ?             ?      
1 1 1 37 27 42 o -0.2873000E-01 1.154000      ?             ?      
1 1 1 37 27 43 o 0.1001000      1.313000      ?             ?      
1 1 1 37 27 44 o 0.6714000      1.297000      ?             ?      
1 1 1 37 27 45 o -0.9605000     1.571000      ?             ?      
1 1 1 37 27 46 o -1.464000      1.248000      ?             ?      
1 1 1 37 27 47 o -0.4776000     1.107000      ?             ?      
1 1 1 37 27 48 o 0.9817000      1.085000      ?             ?      
1 1 1 37 28 0  o 1.751000       1.470000      307.3042      -90.0  
1 1 1 37 28 1  o 0.4713000      1.091000      45.46632      14.9   
1 1 1 37 28 2  o 0.5217000      1.087000      78.68913      38.5   
1 1 1 37 28 3  o -0.9806000     1.094000      46.72514      -43.6  
1 1 1 37 28 4  o 1.732000       1.121000      55.09177      44.7   
1 1 1 37 28 5  o 3.617000       1.146000      147.2953      139.2  
1 1 1 37 28 6  o 1.916000       1.163000      93.37849      -116.7 
1 1 1 37 28 7  o 2.070000       1.209000      108.2283      99.8   
1 1 1 37 28 8  o 1.806000       1.178000      54.20734      -2.3   
1 1 1 37 28 9  o 1.757000       1.190000      108.5992      -102.4 
1 1 1 37 28 10 o 2.011000       1.112000      130.2429      -152.9 
1 1 1 37 28 11 o -0.1014000     1.111000      151.9051      -135.4 
1 1 1 37 28 12 o -0.8006000     1.103000      46.16157      129.4  
1 1 1 37 28 13 o 0.2773000      1.100000      29.57137      -93.3  
1 1 1 37 28 14 o -0.5701000     1.107000      ?             ?      
1 1 1 37 28 15 o -0.2766000     1.102000      ?             ?      
1 1 1 37 28 16 o 0.1171000      1.103000      ?             ?      
1 1 1 37 28 17 o -0.5553000     1.193000      ?             ?      
1 1 1 37 28 18 o 1.238000       1.215000      ?             ?      
1 1 1 37 28 19 o 1.367000       1.371000      ?             ?      
1 1 1 37 28 20 o 0.5972000      1.601000      ?             ?      
1 1 1 37 28 21 o 0.2114000      1.577000      ?             ?      
1 1 1 37 28 22 o -0.4343000     1.292000      ?             ?      
1 1 1 37 28 23 o -0.4816000     1.211000      ?             ?      
1 1 1 37 28 24 o -1.553000      1.285000      ?             ?      
1 1 1 37 28 25 o -0.5908000     1.893000      ?             ?      
1 1 1 37 28 26 o 2.176000       1.834000      ?             ?      
1 1 1 37 28 27 o 2.568000       1.235000      ?             ?      
1 1 1 37 28 28 o 0.8860000      1.173000      ?             ?      
1 1 1 37 28 29 o -0.6480000     1.135000      ?             ?      
1 1 1 37 28 30 o 2.314000       1.124000      ?             ?      
1 1 1 37 28 31 o -1.222000      1.101000      ?             ?      
1 1 1 37 28 32 o -0.8923000     1.118000      ?             ?      
1 1 1 37 28 33 o 0.7015000      1.116000      ?             ?      
1 1 1 37 28 34 o -0.8079000     0.9889000     ?             ?      
1 1 1 37 28 35 o 1.259000       0.9709000     ?             ?      
1 1 1 37 28 36 o 0.4638000      0.9724000     ?             ?      
1 1 1 37 28 37 o -0.6755000     0.9877000     ?             ?      
1 1 1 37 28 38 o 1.520000       1.037000      ?             ?      
1 1 1 37 28 39 o 0.6917000      1.031000      ?             ?      
1 1 1 37 28 40 o -0.7847000     0.9939000     ?             ?      
1 1 1 37 28 41 o -1.436000      1.216000      ?             ?      
1 1 1 37 28 42 o 1.273000       1.349000      ?             ?      
1 1 1 37 28 43 o 2.650000       2.211000      ?             ?      
1 1 1 37 28 44 o -0.4042000     1.836000      ?             ?      
1 1 1 37 28 45 o -1.292000      1.444000      ?             ?      
1 1 1 37 28 46 o -0.7026000     1.085000      ?             ?      
1 1 1 37 28 47 o -0.8710000     1.050000      ?             ?      
1 1 1 37 28 48 o -1.268000      1.490000      ?             ?      
1 1 1 37 29 0  o -1.137000      1.458000      73.25510      -90.0  
1 1 1 37 29 1  o -0.6236000     1.071000      112.0662      5.6    
1 1 1 37 29 2  o 0.1545000      1.080000      120.2367      141.7  
1 1 1 37 29 3  o -0.4850000     1.089000      31.39869      48.5   
1 1 1 37 29 4  o 0.9490000      1.104000      135.4677      163.3  
1 1 1 37 29 5  o 1.343000       1.134000      144.9921      100.8  
1 1 1 37 29 6  o 0.6025000      1.160000      86.00121      -162.4 
1 1 1 37 29 7  o 3.829000       1.189000      172.8163      42.3   
1 1 1 37 29 8  o 3.032000       1.184000      109.8863      -112.5 
1 1 1 37 29 9  o -0.3564000     1.168000      19.27044      119.9  
1 1 1 37 29 10 o 1.527000       1.181000      19.43886      -1.8   
1 1 1 37 29 11 o 2.066000       1.095000      ?             ?      
1 1 1 37 29 12 o 1.729000       1.106000      ?             ?      
1 1 1 37 29 13 o -0.3843000     1.087000      ?             ?      
1 1 1 37 29 14 o 0.3189000      1.094000      ?             ?      
1 1 1 37 29 15 o 0.3785000      1.099000      ?             ?      
1 1 1 37 29 16 o 0.9030000      1.083000      ?             ?      
1 1 1 37 29 17 o -0.8991000     1.184000      ?             ?      
1 1 1 37 29 18 o -0.5436000     1.355000      ?             ?      
1 1 1 37 29 19 o 0.1856000      1.580000      ?             ?      
1 1 1 37 29 20 o -1.340000      1.611000      ?             ?      
1 1 1 37 29 21 o 1.173000       1.353000      ?             ?      
1 1 1 37 29 22 o 1.001000       1.222000      ?             ?      
1 1 1 37 29 23 o 0.7762000      1.214000      ?             ?      
1 1 1 37 29 24 o 0.1782000      1.344000      ?             ?      
1 1 1 37 29 25 o -0.9922000     1.489000      ?             ?      
1 1 1 37 29 26 o 1.244000       1.453000      ?             ?      
1 1 1 37 29 27 o -0.1756000     1.204000      ?             ?      
1 1 1 37 29 28 o -1.124000      1.316000      ?             ?      
1 1 1 37 29 29 o 1.291000       1.320000      ?             ?      
1 1 1 37 29 30 o -0.2150000     1.133000      ?             ?      
1 1 1 37 29 31 o 2.315000       1.150000      ?             ?      
1 1 1 37 29 32 o 0.1587000      1.122000      ?             ?      
1 1 1 37 29 33 o -1.259000      1.116000      ?             ?      
1 1 1 37 29 34 o 0.1011000      1.102000      ?             ?      
1 1 1 37 29 35 o 0.7455000      1.002000      ?             ?      
1 1 1 37 29 36 o 0.4499000      0.9797000     ?             ?      
1 1 1 37 29 37 o 0.6029000      0.9844000     ?             ?      
1 1 1 37 29 38 o 0.3807000E-02  0.9951000     ?             ?      
1 1 1 37 29 39 o -0.6080000     1.001000      ?             ?      
1 1 1 37 29 40 o -0.4055000     1.008000      ?             ?      
1 1 1 37 29 41 o -1.227000      2.127000      ?             ?      
1 1 1 37 29 42 o -0.1598000     1.511000      ?             ?      
1 1 1 37 29 43 o 1.360000       1.681000      ?             ?      
1 1 1 37 29 44 o 0.4319000      1.489000      ?             ?      
1 1 1 37 29 45 o -1.837000      1.292000      ?             ?      
1 1 1 37 29 46 o 1.110000       1.600000      ?             ?      
1 1 1 37 29 47 o -1.693000      1.262000      ?             ?      
1 1 1 37 30 0  o -0.5756000     1.694000      31.91484      -90.0  
1 1 1 37 30 1  o 1.087000       1.060000      172.0990      41.2   
1 1 1 37 30 2  o -1.452000      1.094000      62.85640      -72.8  
1 1 1 37 30 3  o -0.2677000     1.083000      110.8628      -110.9 
1 1 1 37 30 4  o 0.2772000      1.092000      26.05989      -168.7 
1 1 1 37 30 5  o -1.413000      1.132000      42.44050      131.3  
1 1 1 37 30 6  o 0.4486000      1.127000      ?             ?      
1 1 1 37 30 7  o 1.966000       1.163000      ?             ?      
1 1 1 37 30 8  o 1.669000       1.148000      ?             ?      
1 1 1 37 30 9  o 1.160000       1.156000      ?             ?      
1 1 1 37 30 10 o 0.3674000      1.164000      ?             ?      
1 1 1 37 30 11 o -1.295000      1.163000      ?             ?      
1 1 1 37 30 12 o 1.944000       1.087000      ?             ?      
1 1 1 37 30 13 o 1.740000       1.099000      ?             ?      
1 1 1 37 30 14 o 1.519000       1.093000      ?             ?      
1 1 1 37 30 15 o -1.761000      1.094000      ?             ?      
1 1 1 37 30 16 o 0.4515000      1.086000      ?             ?      
1 1 1 37 30 17 o 1.815000       1.368000      ?             ?      
1 1 1 37 30 18 o 1.405000       1.597000      ?             ?      
1 1 1 37 30 19 o 0.9825000      1.638000      ?             ?      
1 1 1 37 30 20 o 1.703000       1.600000      ?             ?      
1 1 1 37 30 21 o -0.8572000     1.222000      ?             ?      
1 1 1 37 30 22 o -0.2821000     1.240000      ?             ?      
1 1 1 37 30 23 o -0.7914000E-01 1.214000      ?             ?      
1 1 1 37 30 24 o 1.461000       1.302000      ?             ?      
1 1 1 37 30 25 o 0.5114000      1.465000      ?             ?      
1 1 1 37 30 26 o 0.1332000      1.220000      ?             ?      
1 1 1 37 30 27 o 0.4954000      1.222000      ?             ?      
1 1 1 37 30 28 o 1.783000       1.200000      ?             ?      
1 1 1 37 30 29 o 1.596000       1.189000      ?             ?      
1 1 1 37 30 30 o 1.961000       1.169000      ?             ?      
1 1 1 37 30 31 o -0.7195000     1.302000      ?             ?      
1 1 1 37 30 32 o -1.220000      1.289000      ?             ?      
1 1 1 37 30 33 o 1.073000       1.125000      ?             ?      
1 1 1 37 30 34 o 0.2164000      1.117000      ?             ?      
1 1 1 37 30 35 o 0.5120000      1.136000      ?             ?      
1 1 1 37 30 36 o 1.429000       1.177000      ?             ?      
1 1 1 37 30 37 o 0.3641000      0.9923000     ?             ?      
1 1 1 37 30 38 o 0.2893000      1.180000      ?             ?      
1 1 1 37 30 39 o -0.8392000     1.206000      ?             ?      
1 1 1 37 30 40 o -1.426000      1.115000      ?             ?      
1 1 1 37 30 41 o -0.1092000     1.156000      ?             ?      
1 1 1 37 30 42 o -0.3122000     2.254000      ?             ?      
1 1 1 37 30 43 o -0.3793000     1.382000      ?             ?      
1 1 1 37 30 44 o -2.763000      2.143000      ?             ?      
1 1 1 37 30 45 o 1.019000       1.152000      ?             ?      
1 1 1 37 30 46 o -1.089000      1.332000      ?             ?      
1 1 1 37 31 0  o 0.8790000      1.669000      ?             ?      
1 1 1 37 31 1  o 0.4279000      1.032000      ?             ?      
1 1 1 37 31 2  o -0.1152000     1.057000      ?             ?      
1 1 1 37 31 3  o 0.8110000      1.051000      ?             ?      
1 1 1 37 31 4  o 0.2189000      1.105000      ?             ?      
1 1 1 37 31 5  o -0.2265000     1.096000      ?             ?      
1 1 1 37 31 6  o -0.5993000     1.116000      ?             ?      
1 1 1 37 31 7  o 1.574000       1.143000      ?             ?      
1 1 1 37 31 8  o 0.4462000      1.130000      ?             ?      
1 1 1 37 31 9  o 0.4810000      1.126000      ?             ?      
1 1 1 37 31 10 o 1.273000       1.163000      ?             ?      
1 1 1 37 31 11 o -0.4546000     1.150000      ?             ?      
1 1 1 37 31 12 o 1.693000       1.169000      ?             ?      
1 1 1 37 31 13 o 2.552000       1.084000      ?             ?      
1 1 1 37 31 14 o -0.5844000     1.080000      ?             ?      
1 1 1 37 31 15 o 3.112000       1.106000      ?             ?      
1 1 1 37 31 16 o 0.7876000      1.109000      ?             ?      
1 1 1 37 31 17 o -0.1742000E-01 1.574000      ?             ?      
1 1 1 37 31 18 o 0.6157000E-01  1.635000      ?             ?      
1 1 1 37 31 19 o -1.576000      1.587000      ?             ?      
1 1 1 37 31 20 o -0.2576000     1.213000      ?             ?      
1 1 1 37 31 21 o 0.9059000      1.200000      ?             ?      
1 1 1 37 31 22 o 0.9492000      1.208000      ?             ?      
1 1 1 37 31 23 o 0.1819000      1.330000      ?             ?      
1 1 1 37 31 24 o 0.1225000      1.281000      ?             ?      
1 1 1 37 31 25 o 1.377000       1.482000      ?             ?      
1 1 1 37 31 26 o -0.4762000     1.240000      ?             ?      
1 1 1 37 31 27 o -0.2709000E-01 1.199000      ?             ?      
1 1 1 37 31 28 o -0.7658000     1.191000      ?             ?      
1 1 1 37 31 29 o 0.2734000      1.190000      ?             ?      
1 1 1 37 31 30 o -0.7966000     1.181000      ?             ?      
1 1 1 37 31 31 o 0.3062000      1.165000      ?             ?      
1 1 1 37 31 32 o -0.8809000     1.155000      ?             ?      
1 1 1 37 31 33 o 0.5268000E-01  1.146000      ?             ?      
1 1 1 37 31 34 o 1.114000       1.306000      ?             ?      
1 1 1 37 31 35 o -0.8927000     1.301000      ?             ?      
1 1 1 37 31 36 o 0.3441000      1.174000      ?             ?      
1 1 1 37 31 37 o 1.187000       1.254000      ?             ?      
1 1 1 37 31 38 o -0.2167000E-02 1.111000      ?             ?      
1 1 1 37 31 39 o 0.4732000      1.015000      ?             ?      
1 1 1 37 31 40 o -1.768000      1.011000      ?             ?      
1 1 1 37 31 41 o 0.3996000      1.089000      ?             ?      
1 1 1 37 31 42 o -2.836000      1.344000      ?             ?      
1 1 1 37 31 43 o -0.9886000     1.358000      ?             ?      
1 1 1 37 31 44 o 1.662000       1.350000      ?             ?      
1 1 1 37 31 45 o 0.6512000      1.157000      ?             ?      
1 1 1 37 32 0  o 0.8222000      1.636000      ?             ?      
1 1 1 37 32 1  o -1.062000      1.016000      ?             ?      
1 1 1 37 32 2  o -0.3867000     1.038000      ?             ?      
1 1 1 37 32 3  o 0.6573000      1.082000      ?             ?      
1 1 1 37 32 4  o -0.3549000     1.067000      ?             ?      
1 1 1 37 32 5  o -0.7298000     1.079000      ?             ?      
1 1 1 37 32 6  o 0.1689000E-01  1.087000      ?             ?      
1 1 1 37 32 7  o -1.638000      1.111000      ?             ?      
1 1 1 37 32 8  o -1.578000      1.135000      ?             ?      
1 1 1 37 32 9  o 0.7514000      1.125000      ?             ?      
1 1 1 37 32 10 o 1.911000       1.143000      ?             ?      
1 1 1 37 32 11 o 0.7051000      1.142000      ?             ?      
1 1 1 37 32 12 o -0.6212000E-01 1.151000      ?             ?      
1 1 1 37 32 13 o -0.9668000     1.161000      ?             ?      
1 1 1 37 32 14 o 2.256000       1.077000      ?             ?      
1 1 1 37 32 15 o -0.3047000     1.077000      ?             ?      
1 1 1 37 32 16 o -0.2210000     1.193000      ?             ?      
1 1 1 37 32 17 o 4.108000       1.653000      ?             ?      
1 1 1 37 32 18 o -0.7024000     1.566000      ?             ?      
1 1 1 37 32 19 o -0.2774000     1.324000      ?             ?      
1 1 1 37 32 20 o 0.7241000      1.185000      ?             ?      
1 1 1 37 32 21 o 0.8422000      1.213000      ?             ?      
1 1 1 37 32 22 o -2.104000      1.214000      ?             ?      
1 1 1 37 32 23 o -0.8426000E-02 1.349000      ?             ?      
1 1 1 37 32 24 f -0.5092000     1.301000      ?             ?      
1 1 1 37 32 25 o -0.2253000     1.275000      ?             ?      
1 1 1 37 32 26 o 1.553000       1.266000      ?             ?      
1 1 1 37 32 27 o -0.5068000     1.245000      ?             ?      
1 1 1 37 32 28 o -1.092000      1.237000      ?             ?      
1 1 1 37 32 29 o -1.704000      1.193000      ?             ?      
1 1 1 37 32 30 o 0.1389000E-01  1.174000      ?             ?      
1 1 1 37 32 31 o -0.7146000     1.183000      ?             ?      
1 1 1 37 32 32 o 0.8594000      1.151000      ?             ?      
1 1 1 37 32 33 o -0.6536000E-01 1.184000      ?             ?      
1 1 1 37 32 34 f 0.6415000E-01  1.189000      ?             ?      
1 1 1 37 32 35 o -2.417000      1.215000      ?             ?      
1 1 1 37 32 36 o -2.170000      1.204000      ?             ?      
1 1 1 37 32 37 o 0.4134000      1.318000      ?             ?      
1 1 1 37 32 38 o 0.4161000      1.344000      ?             ?      
1 1 1 37 32 39 o 1.582000       1.034000      ?             ?      
1 1 1 37 32 40 o -1.276000      1.059000      ?             ?      
1 1 1 37 32 41 o -2.403000      1.142000      ?             ?      
1 1 1 37 32 42 o 1.722000       1.323000      ?             ?      
1 1 1 37 32 43 o 1.516000       1.366000      ?             ?      
1 1 1 37 32 44 o 2.332000       1.359000      ?             ?      
1 1 1 37 33 0  o -1.172000      1.379000      ?             ?      
1 1 1 37 33 1  o -1.378000      1.016000      ?             ?      
1 1 1 37 33 2  o 0.9153000      1.055000      ?             ?      
1 1 1 37 33 3  o 0.2109000E-02  1.033000      ?             ?      
1 1 1 37 33 4  o -0.2610000     1.052000      ?             ?      
1 1 1 37 33 5  o -0.2503000     1.064000      ?             ?      
1 1 1 37 33 6  o -1.025000      1.086000      ?             ?      
1 1 1 37 33 7  o -1.358000      1.108000      ?             ?      
1 1 1 37 33 8  o -0.3508000     1.115000      ?             ?      
1 1 1 37 33 9  o 1.232000       1.123000      ?             ?      
1 1 1 37 33 10 o 0.9002000      1.121000      ?             ?      
1 1 1 37 33 11 o -0.4183000E-01 1.140000      ?             ?      
1 1 1 37 33 12 o 1.198000       1.160000      ?             ?      
1 1 1 37 33 13 o 1.890000       1.159000      ?             ?      
1 1 1 37 33 14 o 0.2095000      1.163000      ?             ?      
1 1 1 37 33 15 o -1.871000      1.158000      ?             ?      
1 1 1 37 33 16 o 0.5749000      1.336000      ?             ?      
1 1 1 37 33 17 o -0.3060000E-01 1.553000      ?             ?      
1 1 1 37 33 18 o -0.4774000     1.341000      ?             ?      
1 1 1 37 33 19 o 0.2572000      1.182000      ?             ?      
1 1 1 37 33 20 o 1.279000       1.199000      ?             ?      
1 1 1 37 33 21 o 1.504000       1.209000      ?             ?      
1 1 1 37 33 22 o 2.754000       1.363000      ?             ?      
1 1 1 37 33 23 o 1.901000       1.332000      ?             ?      
1 1 1 37 33 24 o 1.638000       1.347000      ?             ?      
1 1 1 37 33 25 o -0.8908000     1.270000      ?             ?      
1 1 1 37 33 26 o -0.6024000     1.266000      ?             ?      
1 1 1 37 33 27 o 0.5715000      1.252000      ?             ?      
1 1 1 37 33 28 o 1.383000       1.259000      ?             ?      
1 1 1 37 33 29 o 2.170000       1.241000      ?             ?      
1 1 1 37 33 30 o 0.3496000      1.198000      ?             ?      
1 1 1 37 33 31 o -1.981000      1.174000      ?             ?      
1 1 1 37 33 32 o -1.615000      1.204000      ?             ?      
1 1 1 37 33 33 o 0.9804000      1.245000      ?             ?      
1 1 1 37 33 34 o 0.8278000E-02  1.200000      ?             ?      
1 1 1 37 33 35 o 0.7574000      1.188000      ?             ?      
1 1 1 37 33 36 o -1.015000      1.180000      ?             ?      
1 1 1 37 33 37 o -0.8997000     1.186000      ?             ?      
1 1 1 37 33 38 o 0.3493000E-02  1.199000      ?             ?      
1 1 1 37 33 39 o 0.9564000      1.363000      ?             ?      
1 1 1 37 33 40 o -0.5591000     1.131000      ?             ?      
1 1 1 37 33 41 o 0.1514000E-01  1.233000      ?             ?      
1 1 1 37 33 42 o 0.2406000      1.328000      ?             ?      
1 1 1 37 33 43 o -0.7751000     1.321000      ?             ?      
1 1 1 37 34 0  o -0.5770000     1.353000      ?             ?      
1 1 1 37 34 1  o -0.4757000     1.037000      ?             ?      
1 1 1 37 34 2  o 1.043000       1.035000      ?             ?      
1 1 1 37 34 3  o -1.036000      1.041000      ?             ?      
1 1 1 37 34 4  o -0.6816000     1.047000      ?             ?      
1 1 1 37 34 5  o 0.3483000      1.054000      ?             ?      
1 1 1 37 34 6  o -1.557000      1.069000      ?             ?      
1 1 1 37 34 7  o -1.180000      1.090000      ?             ?      
1 1 1 37 34 8  o 1.356000       1.112000      ?             ?      
1 1 1 37 34 9  o 0.6871000      1.098000      ?             ?      
1 1 1 37 34 10 o 0.1177000      1.106000      ?             ?      
1 1 1 37 34 11 o -0.3120000     1.123000      ?             ?      
1 1 1 37 34 12 o -0.3107000E-01 1.130000      ?             ?      
1 1 1 37 34 13 o 2.812000       1.155000      ?             ?      
1 1 1 37 34 14 o -0.1756000     1.304000      ?             ?      
1 1 1 37 34 15 o 0.7387000      1.621000      ?             ?      
1 1 1 37 34 16 o 0.2686000      1.321000      ?             ?      
1 1 1 37 34 17 o -1.009000      1.547000      ?             ?      
1 1 1 37 34 18 o 0.2485000      1.176000      ?             ?      
1 1 1 37 34 19 o 0.2392000      1.184000      ?             ?      
1 1 1 37 34 20 o -1.327000      1.208000      ?             ?      
1 1 1 37 34 21 o 0.5528000      1.201000      ?             ?      
1 1 1 37 34 22 o 0.7452000      1.362000      ?             ?      
1 1 1 37 34 23 o 0.7796000      1.330000      ?             ?      
1 1 1 37 34 24 o 2.597000       1.328000      ?             ?      
1 1 1 37 34 25 o 0.5691000E-01  1.283000      ?             ?      
1 1 1 37 34 26 o 0.8512000      1.273000      ?             ?      
1 1 1 37 34 27 o -0.8524000     1.270000      ?             ?      
1 1 1 37 34 28 o 1.717000       1.249000      ?             ?      
1 1 1 37 34 29 o 0.4731000      1.241000      ?             ?      
1 1 1 37 34 30 o 0.2231000E-01  1.260000      ?             ?      
1 1 1 37 34 31 o 2.224000       1.274000      ?             ?      
1 1 1 37 34 32 o -0.7277000     1.222000      ?             ?      
1 1 1 37 34 33 o 0.3058000      1.211000      ?             ?      
1 1 1 37 34 34 o -1.413000      1.207000      ?             ?      
1 1 1 37 34 35 o -0.7237000     1.202000      ?             ?      
1 1 1 37 34 36 o -1.582000      1.202000      ?             ?      
1 1 1 37 34 37 o 0.6275000      1.201000      ?             ?      
1 1 1 37 34 38 o 1.430000       1.198000      ?             ?      
1 1 1 37 34 39 o 0.9561000      1.408000      ?             ?      
1 1 1 37 34 40 o 1.192000       1.453000      ?             ?      
1 1 1 37 34 41 o 1.214000       1.593000      ?             ?      
1 1 1 37 34 42 o -0.4033000E-01 1.327000      ?             ?      
1 1 1 37 35 0  o 0.7725000      1.393000      ?             ?      
1 1 1 37 35 1  o 1.187000       1.021000      ?             ?      
1 1 1 37 35 2  o -0.5868000E-01 1.028000      ?             ?      
1 1 1 37 35 3  o -0.3841000     1.059000      ?             ?      
1 1 1 37 35 4  o -0.5717000     1.042000      ?             ?      
1 1 1 37 35 5  o 1.323000       1.062000      ?             ?      
1 1 1 37 35 6  o -0.9767000     1.076000      ?             ?      
1 1 1 37 35 7  o -0.7644000     1.084000      ?             ?      
1 1 1 37 35 8  o -0.3096000     1.095000      ?             ?      
1 1 1 37 35 9  o 0.7488000      1.097000      ?             ?      
1 1 1 37 35 10 o 0.4235000      1.110000      ?             ?      
1 1 1 37 35 11 o -0.3683000     1.119000      ?             ?      
1 1 1 37 35 12 o 0.1765000E-01  1.121000      ?             ?      
1 1 1 37 35 13 o -0.6834000     1.163000      ?             ?      
1 1 1 37 35 14 o 2.098000       1.597000      ?             ?      
1 1 1 37 35 15 o -1.692000      1.558000      ?             ?      
1 1 1 37 35 16 o 0.1006000E-01  1.564000      ?             ?      
1 1 1 37 35 17 o -1.011000      1.198000      ?             ?      
1 1 1 37 35 18 o 0.3911000      1.188000      ?             ?      
1 1 1 37 35 19 o -1.283000      1.167000      ?             ?      
1 1 1 37 35 20 o 0.1971000      1.190000      ?             ?      
1 1 1 37 35 21 o 0.5958000      1.213000      ?             ?      
1 1 1 37 35 22 o -0.9355000     1.308000      ?             ?      
1 1 1 37 35 23 o -0.4145000E-03 1.315000      ?             ?      
1 1 1 37 35 24 o 0.5374000      1.288000      ?             ?      
1 1 1 37 35 25 o 0.8369000      1.282000      ?             ?      
1 1 1 37 35 26 o -0.9698000     1.272000      ?             ?      
1 1 1 37 35 27 o 1.300000       1.283000      ?             ?      
1 1 1 37 35 28 o -0.3257000E-02 1.293000      ?             ?      
1 1 1 37 35 29 o 0.3461000      1.273000      ?             ?      
1 1 1 37 35 30 o 0.1187000E-01  1.249000      ?             ?      
1 1 1 37 35 31 o -1.029000      1.244000      ?             ?      
1 1 1 37 35 32 o 1.731000       1.251000      ?             ?      
1 1 1 37 35 33 o 0.9185000      1.238000      ?             ?      
1 1 1 37 35 34 o 0.4917000      1.220000      ?             ?      
1 1 1 37 35 35 o -0.7821000     1.210000      ?             ?      
1 1 1 37 35 36 o 1.266000       1.224000      ?             ?      
1 1 1 37 35 37 o 1.633000       1.263000      ?             ?      
1 1 1 37 35 38 o 1.034000       1.464000      ?             ?      
1 1 1 37 35 39 o 1.718000       1.454000      ?             ?      
1 1 1 37 35 40 o -0.9227000     1.612000      ?             ?      
1 1 1 37 35 41 o -1.806000      2.963000      ?             ?      
1 1 1 37 36 0  o 2.403000       1.365000      ?             ?      
1 1 1 37 36 1  o 0.1333000      1.062000      ?             ?      
1 1 1 37 36 2  o 1.548000       1.020000      ?             ?      
1 1 1 37 36 3  f -0.8886000     1.044000      ?             ?      
1 1 1 37 36 4  o -1.330000      1.027000      ?             ?      
1 1 1 37 36 5  o 0.8746000      1.044000      ?             ?      
1 1 1 37 36 6  o 1.077000       1.059000      ?             ?      
1 1 1 37 36 7  o 0.5298000      1.070000      ?             ?      
1 1 1 37 36 8  o -1.048000      1.083000      ?             ?      
1 1 1 37 36 9  o 0.6921000      1.135000      ?             ?      
1 1 1 37 36 10 o 1.229000       1.121000      ?             ?      
1 1 1 37 36 11 o 0.7868000      1.118000      ?             ?      
1 1 1 37 36 12 o -0.1456000     1.135000      ?             ?      
1 1 1 37 36 13 o -0.8165000     1.562000      ?             ?      
1 1 1 37 36 14 o 0.4790000      1.556000      ?             ?      
1 1 1 37 36 15 o 1.473000       1.560000      ?             ?      
1 1 1 37 36 16 o 0.1590000      1.202000      ?             ?      
1 1 1 37 36 17 o 0.3517000      1.344000      ?             ?      
1 1 1 37 36 18 o -0.3517000     1.178000      ?             ?      
1 1 1 37 36 19 o 0.3003000      1.196000      ?             ?      
1 1 1 37 36 20 o -0.3003000E-01 1.199000      ?             ?      
1 1 1 37 36 21 o 0.7264000      1.371000      ?             ?      
1 1 1 37 36 22 o -0.8917000     1.324000      ?             ?      
1 1 1 37 36 23 o -1.560000      1.177000      ?             ?      
1 1 1 37 36 24 o -0.5647000     1.301000      ?             ?      
1 1 1 37 36 25 o 0.4573000      1.314000      ?             ?      
1 1 1 37 36 26 o -0.7127000     1.325000      ?             ?      
1 1 1 37 36 27 o -0.6099000E-02 1.293000      ?             ?      
1 1 1 37 36 28 o -1.497000      1.269000      ?             ?      
1 1 1 37 36 29 o 2.055000       1.258000      ?             ?      
1 1 1 37 36 30 o 1.017000       1.294000      ?             ?      
1 1 1 37 36 31 o -0.4449000     1.249000      ?             ?      
1 1 1 37 36 32 o 0.5866000      1.238000      ?             ?      
1 1 1 37 36 33 o 1.794000       1.250000      ?             ?      
1 1 1 37 36 34 o 0.9642000      1.239000      ?             ?      
1 1 1 37 36 35 o -0.2091000     1.269000      ?             ?      
1 1 1 37 36 36 o -0.3063000     1.250000      ?             ?      
1 1 1 37 36 37 o -0.2708000     2.172000      ?             ?      
1 1 1 37 36 38 o 1.240000       2.182000      ?             ?      
1 1 1 37 36 39 o 1.714000       1.258000      ?             ?      
1 1 1 37 36 40 o 0.1798000      1.642000      ?             ?      
1 1 1 37 37 0  o -1.223000      1.312000      ?             ?      
1 1 1 37 37 1  o 1.345000       1.057000      ?             ?      
1 1 1 37 37 2  o -0.7696000E-01 1.021000      ?             ?      
1 1 1 37 37 3  o 0.2630000      1.038000      ?             ?      
1 1 1 37 37 4  o 0.5623000      1.029000      ?             ?      
1 1 1 37 37 5  o 0.1366000      1.036000      ?             ?      
1 1 1 37 37 6  o -0.5194000E-01 1.043000      ?             ?      
1 1 1 37 37 7  o -0.3069000     1.063000      ?             ?      
1 1 1 37 37 8  o 1.912000       1.087000      ?             ?      
1 1 1 37 37 9  o -1.391000      1.099000      ?             ?      
1 1 1 37 37 10 o -0.5562000     1.105000      ?             ?      
1 1 1 37 37 11 o -2.006000      1.122000      ?             ?      
1 1 1 37 37 12 o -2.004000      1.550000      ?             ?      
1 1 1 37 37 13 o -1.340000      1.542000      ?             ?      
1 1 1 37 37 14 o -0.5393000E-01 1.554000      ?             ?      
1 1 1 37 37 15 o 3.325000       1.602000      ?             ?      
1 1 1 37 37 16 o 0.9881000E-01  1.171000      ?             ?      
1 1 1 37 37 17 o -0.2592000     1.315000      ?             ?      
1 1 1 37 37 18 o 0.4820000      1.314000      ?             ?      
1 1 1 37 37 19 o -0.5881000     1.197000      ?             ?      
1 1 1 37 37 20 o 0.6970000      1.250000      ?             ?      
1 1 1 37 37 21 o -0.4114000     1.351000      ?             ?      
1 1 1 37 37 22 o 0.4463000      1.373000      ?             ?      
1 1 1 37 37 23 o -0.1340000     1.213000      ?             ?      
1 1 1 37 37 24 o 1.684000       1.363000      ?             ?      
1 1 1 37 37 25 o -1.038000      1.312000      ?             ?      
1 1 1 37 37 26 o 0.2119000      1.296000      ?             ?      
1 1 1 37 37 27 o 0.5693000      1.312000      ?             ?      
1 1 1 37 37 28 o -0.6731000     1.269000      ?             ?      
1 1 1 37 37 29 o -2.136000      1.297000      ?             ?      
1 1 1 37 37 30 o 0.6292000      1.293000      ?             ?      
1 1 1 37 37 31 o -0.1444000     1.277000      ?             ?      
1 1 1 37 37 32 o -4.029000      1.295000      ?             ?      
1 1 1 37 37 33 o -0.5159000E-01 1.294000      ?             ?      
1 1 1 37 37 34 o 0.1961000      1.301000      ?             ?      
1 1 1 37 37 35 o -1.797000      1.087000      ?             ?      
1 1 1 37 37 36 o -1.918000      1.289000      ?             ?      
1 1 1 37 37 37 o 0.2998000E-01  1.471000      ?             ?      
1 1 1 37 37 38 o 0.9127000      1.171000      ?             ?      
1 1 1 37 37 39 o 1.342000       1.653000      ?             ?      
1 1 1 37 38 0  o 0.2785000      1.271000      ?             ?      
1 1 1 37 38 1  o 0.4760000      1.046000      ?             ?      
1 1 1 37 38 2  o -0.1841000     1.011000      ?             ?      
1 1 1 37 38 3  o -0.1985000     1.058000      ?             ?      
1 1 1 37 38 4  o 0.7863000      1.024000      ?             ?      
1 1 1 37 38 5  o -0.7475000     1.041000      ?             ?      
1 1 1 37 38 6  o -1.481000      1.040000      ?             ?      
1 1 1 37 38 7  o -1.647000      1.059000      ?             ?      
1 1 1 37 38 8  o -0.1694000     1.075000      ?             ?      
1 1 1 37 38 9  o 0.6855000      1.092000      ?             ?      
1 1 1 37 38 10 o -0.2054000     1.094000      ?             ?      
1 1 1 37 38 11 o -1.357000      1.279000      ?             ?      
1 1 1 37 38 12 o -0.6267000     1.524000      ?             ?      
1 1 1 37 38 13 o -2.358000      1.548000      ?             ?      
1 1 1 37 38 14 o 0.8027000      1.553000      ?             ?      
1 1 1 37 38 15 o 0.6993000      1.197000      ?             ?      
1 1 1 37 38 16 o -2.134000      1.315000      ?             ?      
1 1 1 37 38 17 o 0.3680000      1.291000      ?             ?      
1 1 1 37 38 18 o -0.5827000     1.354000      ?             ?      
1 1 1 37 38 19 o -2.401000      1.369000      ?             ?      
1 1 1 37 38 20 o 0.3303000      1.399000      ?             ?      
1 1 1 37 38 21 o -0.3180000     1.379000      ?             ?      
1 1 1 37 38 22 o 1.091000       1.255000      ?             ?      
1 1 1 37 38 23 o 1.785000       1.220000      ?             ?      
1 1 1 37 38 24 o -1.354000      1.330000      ?             ?      
1 1 1 37 38 25 o 0.2398000      1.311000      ?             ?      
1 1 1 37 38 26 o -1.079000      1.295000      ?             ?      
1 1 1 37 38 27 o 0.9296000E-01  1.320000      ?             ?      
1 1 1 37 38 28 o -0.5145000     1.348000      ?             ?      
1 1 1 37 38 29 o -0.8581000     1.332000      ?             ?      
1 1 1 37 38 30 o -3.024000      1.355000      ?             ?      
1 1 1 37 38 31 o 0.6489000      1.375000      ?             ?      
1 1 1 37 38 32 o -0.6215000     1.563000      ?             ?      
1 1 1 37 38 33 o 1.119000       1.551000      ?             ?      
1 1 1 37 38 34 o 1.515000       1.294000      ?             ?      
1 1 1 37 38 35 o -0.9367000     1.276000      ?             ?      
1 1 1 37 38 36 o 0.4117000      1.497000      ?             ?      
1 1 1 37 38 37 o -0.3850000     1.514000      ?             ?      
1 1 1 37 38 38 o -1.628000      2.154000      ?             ?      
1 1 1 37 39 0  o 1.399000       1.261000      ?             ?      
1 1 1 37 39 1  o -0.3467000     1.034000      ?             ?      
1 1 1 37 39 2  o -0.1848000     0.9943000     ?             ?      
1 1 1 37 39 3  o 0.7514000      1.045000      ?             ?      
1 1 1 37 39 4  o 0.3938000      1.038000      ?             ?      
1 1 1 37 39 5  o -0.3578000     1.032000      ?             ?      
1 1 1 37 39 6  o -0.5678000     1.046000      ?             ?      
1 1 1 37 39 7  o -0.5131000     1.054000      ?             ?      
1 1 1 37 39 8  o 0.7989000      1.072000      ?             ?      
1 1 1 37 39 9  o 0.1066000      1.095000      ?             ?      
1 1 1 37 39 10 o -1.734000      1.135000      ?             ?      
1 1 1 37 39 11 o 0.2647000      1.513000      ?             ?      
1 1 1 37 39 12 o -1.399000      1.545000      ?             ?      
1 1 1 37 39 13 o 0.4896000      2.097000      ?             ?      
1 1 1 37 39 14 o -0.4285000     1.312000      ?             ?      
1 1 1 37 39 15 o 0.6474000      1.182000      ?             ?      
1 1 1 37 39 16 o 0.7639000      1.171000      ?             ?      
1 1 1 37 39 17 o -0.1060000     1.316000      ?             ?      
1 1 1 37 39 18 o 0.1002000E-01  1.400000      ?             ?      
1 1 1 37 39 19 o -1.453000      1.432000      ?             ?      
1 1 1 37 39 20 o -2.032000      1.623000      ?             ?      
1 1 1 37 39 21 o -1.562000      1.349000      ?             ?      
1 1 1 37 39 22 o 0.2733000      1.212000      ?             ?      
1 1 1 37 39 23 o -0.4021000     1.193000      ?             ?      
1 1 1 37 39 24 o 0.5448000      1.320000      ?             ?      
1 1 1 37 39 25 o 0.2794000      1.327000      ?             ?      
1 1 1 37 39 26 o 1.821000       1.349000      ?             ?      
1 1 1 37 39 27 o -1.014000      1.368000      ?             ?      
1 1 1 37 39 28 o 0.2736000E-01  1.339000      ?             ?      
1 1 1 37 39 29 o 1.410000       1.362000      ?             ?      
1 1 1 37 39 30 o -1.484000      1.600000      ?             ?      
1 1 1 37 39 31 o 1.076000       1.067000      ?             ?      
1 1 1 37 39 32 o -0.6300000     1.550000      ?             ?      
1 1 1 37 39 33 o 0.1481000      1.313000      ?             ?      
1 1 1 37 39 34 o -1.535000      2.338000      ?             ?      
1 1 1 37 39 35 o -0.2158000     1.545000      ?             ?      
1 1 1 37 39 36 o 0.3276000      2.285000      ?             ?      
1 1 1 37 40 0  o 0.4116000      1.249000      ?             ?      
1 1 1 37 40 1  o 0.6112000      1.027000      ?             ?      
1 1 1 37 40 2  o -0.8408000     0.9815000     ?             ?      
1 1 1 37 40 3  o 0.8906000      1.012000      ?             ?      
1 1 1 37 40 4  o -0.1898000     1.021000      ?             ?      
1 1 1 37 40 5  o -1.641000      1.030000      ?             ?      
1 1 1 37 40 6  o -0.1379000     1.040000      ?             ?      
1 1 1 37 40 7  o 1.516000       1.056000      ?             ?      
1 1 1 37 40 8  o -0.6947000     1.068000      ?             ?      
1 1 1 37 40 9  o -0.8464000     1.134000      ?             ?      
1 1 1 37 40 10 o 0.6285000E-01  1.986000      ?             ?      
1 1 1 37 40 11 o -1.177000      2.049000      ?             ?      
1 1 1 37 40 12 o 1.774000       1.583000      ?             ?      
1 1 1 37 40 13 o -0.6629000     1.178000      ?             ?      
1 1 1 37 40 14 o -1.974000      1.167000      ?             ?      
1 1 1 37 40 15 o 0.1769000      1.176000      ?             ?      
1 1 1 37 40 16 o -0.2158000     1.215000      ?             ?      
1 1 1 37 40 17 o 1.575000       1.397000      ?             ?      
1 1 1 37 40 18 o 0.4752000      1.358000      ?             ?      
1 1 1 37 40 19 o 1.150000       1.647000      ?             ?      
1 1 1 37 40 20 o 3.263000       1.638000      ?             ?      
1 1 1 37 40 21 o 0.9499000      1.385000      ?             ?      
1 1 1 37 40 22 o -1.922000      1.200000      ?             ?      
1 1 1 37 40 23 o -0.7462000E-01 1.196000      ?             ?      
1 1 1 37 40 24 o -1.210000      1.324000      ?             ?      
1 1 1 37 40 25 o -0.3405000     1.357000      ?             ?      
1 1 1 37 40 26 o -1.143000      1.406000      ?             ?      
1 1 1 37 40 27 o -1.433000      1.604000      ?             ?      
1 1 1 37 40 28 o -2.435000      1.578000      ?             ?      
1 1 1 37 40 29 o 1.241000       1.337000      ?             ?      
1 1 1 37 40 30 o -1.790000      1.341000      ?             ?      
1 1 1 37 40 31 o 0.6844000      1.333000      ?             ?      
1 1 1 37 40 32 o -0.9405000     1.329000      ?             ?      
1 1 1 37 40 33 o 0.8712000      1.338000      ?             ?      
1 1 1 37 40 34 o -0.9877000     1.605000      ?             ?      
1 1 1 37 40 35 o -1.465000      2.344000      ?             ?      
1 1 1 37 41 0  o -1.245000      1.247000      ?             ?      
1 1 1 37 41 1  o -0.8150000     1.022000      ?             ?      
1 1 1 37 41 2  o 0.5976000      0.9844000     ?             ?      
1 1 1 37 41 3  o 0.2031000      0.9991000     ?             ?      
1 1 1 37 41 4  o 0.4916000      1.017000      ?             ?      
1 1 1 37 41 5  o 0.6847000E-01  1.031000      ?             ?      
1 1 1 37 41 6  o 1.063000       1.043000      ?             ?      
1 1 1 37 41 7  o 0.3753000      1.061000      ?             ?      
1 1 1 37 41 8  o 2.011000       1.236000      ?             ?      
1 1 1 37 41 9  o -1.825000      1.508000      ?             ?      
1 1 1 37 41 10 o -0.5717000     1.490000      ?             ?      
1 1 1 37 41 11 o -0.3776000     1.501000      ?             ?      
1 1 1 37 41 12 o -0.1781000     1.538000      ?             ?      
1 1 1 37 41 13 o 0.1526000      1.204000      ?             ?      
1 1 1 37 41 14 o 0.5410000      1.199000      ?             ?      
1 1 1 37 41 15 o -0.4943000     1.163000      ?             ?      
1 1 1 37 41 16 o -0.8160000     1.170000      ?             ?      
1 1 1 37 41 17 o 0.2189000      1.367000      ?             ?      
1 1 1 37 41 18 o 1.208000       1.396000      ?             ?      
1 1 1 37 41 19 o -0.5194000     1.629000      ?             ?      
1 1 1 37 41 20 o 4.201000       1.659000      ?             ?      
1 1 1 37 41 21 o 1.065000       1.354000      ?             ?      
1 1 1 37 41 22 f -1.460000      1.376000      ?             ?      
1 1 1 37 41 23 o 0.2249000      1.247000      ?             ?      
1 1 1 37 41 24 o -0.2494000     1.409000      ?             ?      
1 1 1 37 41 25 o -0.4577000     1.624000      ?             ?      
1 1 1 37 41 26 o -1.149000      1.389000      ?             ?      
1 1 1 37 41 27 o -3.389000      1.370000      ?             ?      
1 1 1 37 41 28 o -1.414000      1.356000      ?             ?      
1 1 1 37 41 29 o 2.295000       1.371000      ?             ?      
1 1 1 37 41 30 o -1.140000      1.351000      ?             ?      
1 1 1 37 41 31 o -0.1347000     1.346000      ?             ?      
1 1 1 37 41 32 o 3.564000       1.364000      ?             ?      
1 1 1 37 41 33 o 2.717000       1.649000      ?             ?      
1 1 1 37 42 0  o -0.6566000     1.246000      ?             ?      
1 1 1 37 42 1  o -0.2354000     1.026000      ?             ?      
1 1 1 37 42 2  o -0.5483000     0.9821000     ?             ?      
1 1 1 37 42 3  o 0.8388000      0.9970000     ?             ?      
1 1 1 37 42 4  o -0.2612000     1.026000      ?             ?      
1 1 1 37 42 5  o 2.003000       1.157000      ?             ?      
1 1 1 37 42 6  o -0.6245000     1.192000      ?             ?      
1 1 1 37 42 7  o 2.069000       1.113000      ?             ?      
1 1 1 37 42 8  o -1.510000      1.247000      ?             ?      
1 1 1 37 42 9  o 0.9746000      1.523000      ?             ?      
1 1 1 37 42 10 o -1.057000      1.529000      ?             ?      
1 1 1 37 42 11 o 0.6768000      1.571000      ?             ?      
1 1 1 37 42 12 o -2.141000      1.135000      ?             ?      
1 1 1 37 42 13 f 1.376000       1.158000      ?             ?      
1 1 1 37 42 14 o -1.384000      1.138000      ?             ?      
1 1 1 37 42 15 o 0.8313000      1.160000      ?             ?      
1 1 1 37 42 16 o -1.305000      1.227000      ?             ?      
1 1 1 37 42 17 o 1.009000       1.363000      ?             ?      
1 1 1 37 42 18 o -0.8828000     1.656000      ?             ?      
1 1 1 37 42 19 o 0.8622000      1.657000      ?             ?      
1 1 1 37 42 20 o -0.6853000     1.649000      ?             ?      
1 1 1 37 42 21 o -0.9838000     1.375000      ?             ?      
1 1 1 37 42 22 o 1.246000       1.392000      ?             ?      
1 1 1 37 42 23 o 0.4961000E-01  1.353000      ?             ?      
1 1 1 37 42 24 o -0.7702000     1.570000      ?             ?      
1 1 1 37 42 25 o -0.2402000     1.377000      ?             ?      
1 1 1 37 42 26 o 0.3102000      1.377000      ?             ?      
1 1 1 37 42 27 o 0.3879000      1.374000      ?             ?      
1 1 1 37 42 28 o -1.084000      1.372000      ?             ?      
1 1 1 37 42 29 o 1.073000       1.391000      ?             ?      
1 1 1 37 42 30 o 0.6943000      1.388000      ?             ?      
1 1 1 37 42 31 o -2.409000      1.617000      ?             ?      
1 1 1 37 43 0  o 0.4781000      1.234000      ?             ?      
1 1 1 37 43 1  o 0.6123000      0.9231000     ?             ?      
1 1 1 37 43 2  o -0.7267000     1.106000      ?             ?      
1 1 1 37 43 3  o 0.1672000      1.116000      ?             ?      
1 1 1 37 43 4  o -0.4180000     1.034000      ?             ?      
1 1 1 37 43 5  o 1.392000       1.060000      ?             ?      
1 1 1 37 43 6  o 1.031000       1.105000      ?             ?      
1 1 1 37 43 7  o -1.387000      1.179000      ?             ?      
1 1 1 37 43 8  o 1.405000       1.567000      ?             ?      
1 1 1 37 43 9  o 1.442000       1.542000      ?             ?      
1 1 1 37 43 10 o -3.633000      1.511000      ?             ?      
1 1 1 37 43 11 o -0.6791000     1.145000      ?             ?      
1 1 1 37 43 12 o 0.1745000      1.142000      ?             ?      
1 1 1 37 43 13 o 0.2276000      1.140000      ?             ?      
1 1 1 37 43 14 o 1.006000       1.153000      ?             ?      
1 1 1 37 43 15 o -1.079000      1.151000      ?             ?      
1 1 1 37 43 16 o -1.032000      1.230000      ?             ?      
1 1 1 37 43 17 o 1.188000       1.414000      ?             ?      
1 1 1 37 43 18 o -0.9813000     1.654000      ?             ?      
1 1 1 37 43 19 o -0.7921000     1.674000      ?             ?      
1 1 1 37 43 20 o 0.2808000E-01  1.358000      ?             ?      
1 1 1 37 43 21 o 0.2427000E-01  1.349000      ?             ?      
1 1 1 37 43 22 o 0.3468000      1.379000      ?             ?      
1 1 1 37 43 23 o -0.2878000     1.373000      ?             ?      
1 1 1 37 43 24 o -0.7840000     1.609000      ?             ?      
1 1 1 37 43 25 o 4.171000       2.970000      ?             ?      
1 1 1 37 43 26 o -0.4758000     1.377000      ?             ?      
1 1 1 37 43 27 o -3.206000      1.383000      ?             ?      
1 1 1 37 43 28 o -0.2898000     1.388000      ?             ?      
1 1 1 37 43 29 o -2.343000      3.010000      ?             ?      
1 1 1 37 43 30 o 1.928000       4.253000      ?             ?      
1 1 1 37 44 0  o -0.7704000E-01 1.382000      ?             ?      
1 1 1 37 44 1  o -0.9321000     0.8983000     ?             ?      
1 1 1 37 44 2  o -1.666000      0.9967000     ?             ?      
1 1 1 37 44 3  o -0.1728000E-01 1.012000      ?             ?      
1 1 1 37 44 4  o -0.2146000     1.105000      ?             ?      
1 1 1 37 44 5  o -1.130000      1.116000      ?             ?      
1 1 1 37 44 6  o -0.4183000     1.096000      ?             ?      
1 1 1 37 44 7  o 0.1691000      1.484000      ?             ?      
1 1 1 37 44 8  o 2.245000       1.518000      ?             ?      
1 1 1 37 44 9  o -1.195000      1.516000      ?             ?      
1 1 1 37 44 10 o -0.8086000     1.181000      ?             ?      
1 1 1 37 44 11 o 0.3478000      1.159000      ?             ?      
1 1 1 37 44 12 o -1.080000      1.142000      ?             ?      
1 1 1 37 44 13 o 0.1216000      1.158000      ?             ?      
1 1 1 37 44 14 o -0.4464000     1.175000      ?             ?      
1 1 1 37 44 15 o -1.558000      1.213000      ?             ?      
1 1 1 37 44 16 o -0.6431000     2.096000      ?             ?      
1 1 1 37 44 17 o 1.372000       1.727000      ?             ?      
1 1 1 37 44 18 o 1.238000       1.655000      ?             ?      
1 1 1 37 44 19 o 0.5900000      1.644000      ?             ?      
1 1 1 37 44 20 o -0.2617000     1.359000      ?             ?      
1 1 1 37 44 21 o -0.4097000     1.363000      ?             ?      
1 1 1 37 44 22 o -2.503000      1.166000      ?             ?      
1 1 1 37 44 23 o 0.1725000      1.403000      ?             ?      
1 1 1 37 44 24 o -0.4984000     1.605000      ?             ?      
1 1 1 37 44 25 o -0.8578000     1.609000      ?             ?      
1 1 1 37 44 26 o 0.2840000      1.630000      ?             ?      
1 1 1 37 44 27 o 2.225000       1.227000      ?             ?      
1 1 1 37 44 28 o -2.252000      4.187000      ?             ?      
1 1 1 37 45 0  o -0.3040000     1.320000      ?             ?      
1 1 1 37 45 1  o 0.8030000E-02  0.9317000     ?             ?      
1 1 1 37 45 2  o -1.619000      1.136000      ?             ?      
1 1 1 37 45 3  o -0.7270000     1.077000      ?             ?      
1 1 1 37 45 4  o -1.038000      1.088000      ?             ?      
1 1 1 37 45 5  o -1.703000      1.069000      ?             ?      
1 1 1 37 45 6  o -1.334000      1.468000      ?             ?      
1 1 1 37 45 7  o -1.520000      1.486000      ?             ?      
1 1 1 37 45 8  o 0.2335000      1.498000      ?             ?      
1 1 1 37 45 9  o -0.6204000     1.171000      ?             ?      
1 1 1 37 45 10 o -1.531000      1.159000      ?             ?      
1 1 1 37 45 11 o -1.511000      1.183000      ?             ?      
1 1 1 37 45 12 o -0.1943000     1.164000      ?             ?      
1 1 1 37 45 13 o 0.3614000      1.188000      ?             ?      
1 1 1 37 45 14 o -0.7575000     1.206000      ?             ?      
1 1 1 37 45 15 o -1.906000      1.204000      ?             ?      
1 1 1 37 45 16 o -2.699000      1.240000      ?             ?      
1 1 1 37 45 17 o -3.075000      1.634000      ?             ?      
1 1 1 37 45 18 o 1.800000       1.649000      ?             ?      
1 1 1 37 45 19 o 0.5752000      1.371000      ?             ?      
1 1 1 37 45 20 o -0.4666000     1.379000      ?             ?      
1 1 1 37 45 21 o 1.224000       1.382000      ?             ?      
1 1 1 37 45 22 o 0.1135000      1.391000      ?             ?      
1 1 1 37 45 23 o -0.4087000     1.373000      ?             ?      
1 1 1 37 45 24 o 0.5534000E-01  3.003000      ?             ?      
1 1 1 37 45 25 o 1.219000       1.640000      ?             ?      
1 1 1 37 45 26 o 4.981000       4.373000      ?             ?      
1 1 1 37 46 0  f -0.8755000     1.242000      ?             ?      
1 1 1 37 46 1  o 0.8682000      0.9105000     ?             ?      
1 1 1 37 46 2  o -2.332000      1.121000      ?             ?      
1 1 1 37 46 3  o 0.3698000      1.144000      ?             ?      
1 1 1 37 46 4  o -1.982000      1.085000      ?             ?      
1 1 1 37 46 5  o -2.562000      1.497000      ?             ?      
1 1 1 37 46 6  o -0.4355000     1.489000      ?             ?      
1 1 1 37 46 7  o 0.4701000      1.486000      ?             ?      
1 1 1 37 46 8  o 0.5981000      1.527000      ?             ?      
1 1 1 37 46 9  o -0.1582000     1.177000      ?             ?      
1 1 1 37 46 10 o 0.3767000      1.202000      ?             ?      
1 1 1 37 46 11 o -0.1038000     1.180000      ?             ?      
1 1 1 37 46 12 o 1.383000       1.166000      ?             ?      
1 1 1 37 46 13 o 0.5934000      1.173000      ?             ?      
1 1 1 37 46 14 o 0.6597000      1.208000      ?             ?      
1 1 1 37 46 15 o -3.120000      2.111000      ?             ?      
1 1 1 37 46 16 o 1.752000       1.442000      ?             ?      
1 1 1 37 46 17 o 0.4072000      1.633000      ?             ?      
1 1 1 37 46 18 o 1.484000       1.667000      ?             ?      
1 1 1 37 46 19 o -0.2136000     1.403000      ?             ?      
1 1 1 37 46 20 o 0.2247000      1.380000      ?             ?      
1 1 1 37 46 21 o 1.391000       1.419000      ?             ?      
1 1 1 37 46 22 o -4.341000      1.623000      ?             ?      
1 1 1 37 46 23 o 0.7418000E-01  1.643000      ?             ?      
1 1 1 37 47 0  o -1.612000      1.260000      ?             ?      
1 1 1 37 47 1  o 0.7865000      0.9207000     ?             ?      
1 1 1 37 47 2  o -0.1360000     1.026000      ?             ?      
1 1 1 37 47 3  o -0.7317000     1.039000      ?             ?      
1 1 1 37 47 4  o -0.3510000     1.118000      ?             ?      
1 1 1 37 47 5  o 0.5950000      1.063000      ?             ?      
1 1 1 37 47 6  o -2.839000      2.123000      ?             ?      
1 1 1 37 47 7  o -1.876000      2.836000      ?             ?      
1 1 1 37 47 8  o 1.328000       1.304000      ?             ?      
1 1 1 37 47 9  o -2.068000      1.216000      ?             ?      
1 1 1 37 47 10 o -0.1816000     1.199000      ?             ?      
1 1 1 37 47 11 o -1.195000      1.169000      ?             ?      
1 1 1 37 47 12 o 0.2251000      1.176000      ?             ?      
1 1 1 37 47 13 o -0.8867000     1.175000      ?             ?      
1 1 1 37 47 14 o -0.7890000     1.237000      ?             ?      
1 1 1 37 47 15 o -0.3590000     1.256000      ?             ?      
1 1 1 37 47 16 o 0.2224000      1.384000      ?             ?      
1 1 1 37 47 17 o -0.9761000     1.647000      ?             ?      
1 1 1 37 47 18 o -0.3117000     1.613000      ?             ?      
1 1 1 37 47 19 o -0.3705000     1.604000      ?             ?      
1 1 1 37 47 20 o -0.3725000     1.610000      ?             ?      
1 1 1 37 48 0  o 0.5870000E-01  1.292000      ?             ?      
1 1 1 37 48 1  o 0.1853000      0.9388000     ?             ?      
1 1 1 37 48 2  o 0.5376000      1.060000      ?             ?      
1 1 1 37 48 3  o 0.5353000      1.109000      ?             ?      
1 1 1 37 48 4  o -0.2411000     1.459000      ?             ?      
1 1 1 37 48 5  o -0.6861000     1.495000      ?             ?      
1 1 1 37 48 6  o -1.177000      1.532000      ?             ?      
1 1 1 37 48 7  o -1.140000      1.176000      ?             ?      
1 1 1 37 48 8  o 0.4721000      1.308000      ?             ?      
1 1 1 37 48 9  o 0.5381000E-01  1.342000      ?             ?      
1 1 1 37 48 10 o 0.4502000      1.159000      ?             ?      
1 1 1 37 48 11 o -0.5910000     2.109000      ?             ?      
1 1 1 37 48 12 o 1.097000       1.231000      ?             ?      
1 1 1 37 48 13 o -0.1210000     1.231000      ?             ?      
1 1 1 37 48 14 o 0.3817000      1.604000      ?             ?      
1 1 1 37 48 15 o 0.6261000E-01  2.214000      ?             ?      
1 1 1 37 48 16 o -0.8540000     2.176000      ?             ?      
1 1 1 37 48 17 o -1.271000      1.126000      ?             ?      
1 1 1 37 49 0  o 2.075000       1.524000      ?             ?      
1 1 1 37 49 1  o 1.378000       1.046000      ?             ?      
1 1 1 37 49 2  o -0.3282000     1.064000      ?             ?      
1 1 1 37 49 3  o -0.7901000     1.441000      ?             ?      
1 1 1 37 49 4  o 0.4286000      1.489000      ?             ?      
1 1 1 37 49 5  o 0.3505000      1.511000      ?             ?      
1 1 1 37 49 6  o 0.7172000E-01  1.339000      ?             ?      
1 1 1 37 49 7  o 1.012000       1.160000      ?             ?      
1 1 1 37 49 8  o 0.9267000      1.161000      ?             ?      
1 1 1 37 49 9  o 2.210000       1.536000      ?             ?      
1 1 1 37 49 10 o 1.145000       1.683000      ?             ?      
1 1 1 37 49 11 o -1.180000      3.029000      ?             ?      
1 1 1 37 49 12 o -0.6762000E-01 1.045000      ?             ?      
1 1 1 37 49 13 o 0.1555000      4.303000      ?             ?      
1 1 1 37 50 0  o -2.741000      2.776000      ?             ?      
1 1 1 37 50 1  o -0.1860000     1.562000      ?             ?      
1 1 1 37 50 2  o -1.483000      1.999000      ?             ?      
1 1 1 37 50 3  o -0.9007000     1.987000      ?             ?      
1 1 1 37 50 4  o 0.1808000      2.052000      ?             ?      
1 1 1 37 50 5  o 0.2858000E-01  2.061000      ?             ?      
1 1 1 37 50 6  o -1.126000      2.861000      ?             ?      
1 1 1 37 50 7  < 0.000000       -1.000000     ?             ?      
1 1 1 38 0  0  o 2.663000       1.864000      164.1019      -180.0 
1 1 1 38 0  1  o 1.511000       1.319000      326.3651      90.0   
1 1 1 38 0  2  o 2.445000       1.289000      397.1682      180.0  
1 1 1 38 0  3  o 1.042000       1.280000      113.4262      90.0   
1 1 1 38 0  4  o 7.234000       1.349000      333.1963      -180.0 
1 1 1 38 0  5  o 1.471000       1.351000      88.38692      90.0   
1 1 1 38 0  6  o 5.948000       1.424000      446.2099      180.0  
1 1 1 38 0  7  o 5.464000       1.438000      183.9756      90.0   
1 1 1 38 0  8  o 4.330000       1.428000      319.6844      180.0  
1 1 1 38 0  9  o 2.078000       1.456000      58.92495      90.0   
1 1 1 38 0  10 f 2.199000       1.464000      30.65274      180.0  
1 1 1 38 0  11 o 1.337000       1.497000      64.95126      -90.0  
1 1 1 38 0  12 o 0.6160000      1.521000      54.98182      0.0    
1 1 1 38 0  13 o 1.187000       1.458000      95.33404      90.0   
1 1 1 38 0  14 o 0.1291000      1.445000      65.33195      180.0  
1 1 1 38 0  15 f -0.3269000     1.436000      128.5744      90.0   
1 1 1 38 0  16 o 0.2226000      1.394000      64.88659      0.0    
1 1 1 38 0  17 o 0.5593000      1.402000      98.00665      -90.0  
1 1 1 38 0  18 o 2.353000       1.448000      309.2794      180.0  
1 1 1 38 0  19 o 2.508000       1.456000      192.5892      -90.0  
1 1 1 38 0  20 o 2.632000       1.478000      112.1048      180.0  
1 1 1 38 0  21 o 4.072000       1.500000      271.3490      -90.0  
1 1 1 38 0  22 o 2.168000       1.488000      74.03403      180.0  
1 1 1 38 0  23 o 1.496000       1.459000      317.3792      -90.0  
1 1 1 38 0  24 o 2.517000       1.437000      98.55600      -180.0 
1 1 1 38 0  25 o -1.572000      1.455000      163.4947      90.0   
1 1 1 38 0  26 o -2.114000      1.460000      70.13796      -180.0 
1 1 1 38 0  27 o 3.874000       1.459000      87.28214      -90.0  
1 1 1 38 0  28 o 2.183000       1.464000      96.72398      180.0  
1 1 1 38 0  29 o -1.383000      1.578000      127.1787      -90.0  
1 1 1 38 0  30 o 4.234000       1.591000      395.4987      -180.0 
1 1 1 38 0  31 o -1.765000      1.557000      10.02917      90.0   
1 1 1 38 0  32 o -0.8382000     1.998000      5.614528      180.0  
1 1 1 38 0  33 o -1.237000      2.327000      ?             ?      
1 1 1 38 0  34 o 2.432000       1.795000      ?             ?      
1 1 1 38 0  35 o 1.280000       2.254000      ?             ?      
1 1 1 38 0  36 o -1.141000      1.890000      ?             ?      
1 1 1 38 0  37 o 0.4935000      1.714000      ?             ?      
1 1 1 38 0  38 o 2.034000       1.773000      ?             ?      
1 1 1 38 0  39 o 0.1030000E-01  1.548000      ?             ?      
1 1 1 38 0  40 o 0.4306000      1.532000      ?             ?      
1 1 1 38 0  41 o 0.7129000      1.524000      ?             ?      
1 1 1 38 0  42 o 2.712000       1.511000      ?             ?      
1 1 1 38 0  43 o 4.114000       1.512000      ?             ?      
1 1 1 38 0  44 o 0.4904000      1.514000      ?             ?      
1 1 1 38 0  45 o 1.514000       1.546000      ?             ?      
1 1 1 38 0  46 o 2.915000       1.571000      ?             ?      
1 1 1 38 0  47 o 0.2485000      1.538000      ?             ?      
1 1 1 38 0  48 o -0.3832000     1.550000      ?             ?      
1 1 1 38 0  49 o -0.6720000     1.728000      ?             ?      
1 1 1 38 0  50 o -0.9772000     1.774000      ?             ?      
1 1 1 38 0  51 o -0.7088000     2.006000      ?             ?      
1 1 1 38 0  52 o 1.463000       2.082000      ?             ?      
1 1 1 38 0  53 o -0.9264000     1.664000      ?             ?      
1 1 1 38 0  54 o -0.4778000     2.103000      ?             ?      
1 1 1 38 0  55 o -0.6522000     1.898000      ?             ?      
1 1 1 38 0  56 o -0.8190000     2.106000      ?             ?      
1 1 1 38 1  0  o -2.179000      1.303000      77.77770      -180.0 
1 1 1 38 1  1  o 1.815000       0.9292000     307.2391      -100.9 
1 1 1 38 1  2  o 1.909000       0.9237000     327.7031      -102.4 
1 1 1 38 1  3  o 4.191000       0.9329000     508.8438      -64.8  
1 1 1 38 1  4  o 1.045000       0.9301000     8.774558      115.7  
1 1 1 38 1  5  o 3.358000       0.9677000     208.3592      44.1   
1 1 1 38 1  6  o 4.621000       0.9990000     318.7078      -111.9 
1 1 1 38 1  7  o 3.647000       1.002000      232.0394      -39.1  
1 1 1 38 1  8  o 4.260000       1.031000      177.0646      -114.1 
1 1 1 38 1  9  o 1.192000       1.041000      8.271976      111.6  
1 1 1 38 1  10 o -1.713000      1.034000      59.15514      -124.4 
1 1 1 38 1  11 o 1.686000       1.061000      110.6049      -100.3 
1 1 1 38 1  12 o 0.5365000      1.076000      112.3802      85.5   
1 1 1 38 1  13 o -0.3521000     1.038000      81.06762      59.7   
1 1 1 38 1  14 o 0.6661000      1.025000      65.53123      -54.3  
1 1 1 38 1  15 o -0.1392000     1.005000      196.9075      -20.0  
1 1 1 38 1  16 o 1.242000       0.9915000     129.7198      -116.9 
1 1 1 38 1  17 o 0.6109000      0.9947000     189.8448      -154.7 
1 1 1 38 1  18 o 2.275000       1.031000      268.3025      29.3   
1 1 1 38 1  19 o 0.7517000      1.032000      167.5020      -38.9  
1 1 1 38 1  20 o 1.858000       1.034000      125.1903      -12.8  
1 1 1 38 1  21 o -0.6753000E-01 1.033000      45.71417      134.4  
1 1 1 38 1  22 o 1.559000       1.039000      210.2459      -63.0  
1 1 1 38 1  23 o 2.549000       1.034000      144.1218      -51.6  
1 1 1 38 1  24 o -0.2356000E-02 1.019000      113.1463      -71.1  
1 1 1 38 1  25 o 1.035000       1.032000      204.8421      -93.8  
1 1 1 38 1  26 o 6.482000       1.073000      306.5913      -90.3  
1 1 1 38 1  27 o 0.8950000      1.039000      104.3934      -33.2  
1 1 1 38 1  28 o -0.7361000     1.030000      150.4017      -29.5  
1 1 1 38 1  29 o 0.9980000      1.043000      238.1192      -37.0  
1 1 1 38 1  30 o 0.1594000      1.047000      75.98478      -86.4  
1 1 1 38 1  31 o 1.670000       1.234000      147.7859      -157.8 
1 1 1 38 1  32 o 0.4209000      1.553000      219.1459      100.3  
1 1 1 38 1  33 o 0.8419000      2.291000      ?             ?      
1 1 1 38 1  34 o 2.622000       1.772000      ?             ?      
1 1 1 38 1  35 o 2.255000       1.325000      ?             ?      
1 1 1 38 1  36 o 1.491000       1.260000      ?             ?      
1 1 1 38 1  37 o -0.1831000     1.208000      ?             ?      
1 1 1 38 1  38 o -0.5941000     1.196000      ?             ?      
1 1 1 38 1  39 o 0.6211000      1.061000      ?             ?      
1 1 1 38 1  40 o 0.3459000E-01  1.119000      ?             ?      
1 1 1 38 1  41 o 2.224000       1.124000      ?             ?      
1 1 1 38 1  42 o 1.692000       1.075000      ?             ?      
1 1 1 38 1  43 o -0.4500000     1.059000      ?             ?      
1 1 1 38 1  44 o -1.050000      1.060000      ?             ?      
1 1 1 38 1  45 o 2.370000       1.100000      ?             ?      
1 1 1 38 1  46 o 0.1514000      1.087000      ?             ?      
1 1 1 38 1  47 o -1.052000      1.149000      ?             ?      
1 1 1 38 1  48 o 4.035000       1.277000      ?             ?      
1 1 1 38 1  49 o 0.2366000      1.239000      ?             ?      
1 1 1 38 1  50 o -0.4620000     1.102000      ?             ?      
1 1 1 38 1  51 o 0.3820000      1.181000      ?             ?      
1 1 1 38 1  52 o 0.2557000      1.207000      ?             ?      
1 1 1 38 1  53 o -1.136000      1.320000      ?             ?      
1 1 1 38 1  54 o -0.5539000     1.501000      ?             ?      
1 1 1 38 1  55 o -0.1313000     1.593000      ?             ?      
1 1 1 38 1  56 o -0.1365000     1.419000      ?             ?      
1 1 1 38 2  0  o 2.613000       1.319000      124.6744      0.0    
1 1 1 38 2  1  o 1.300000       0.9264000     174.5272      34.1   
1 1 1 38 2  2  o 1.726000       0.9231000     304.7378      -14.5  
1 1 1 38 2  3  o 1.260000       0.9178000     20.43759      155.9  
1 1 1 38 2  4  o 2.883000       0.9364000     130.7553      -145.7 
1 1 1 38 2  5  o 1.298000       0.9618000     241.2142      133.3  
1 1 1 38 2  6  o 5.009000       1.004000      336.0800      112.1  
1 1 1 38 2  7  o 5.168000       1.011000      259.6305      -0.8   
1 1 1 38 2  8  o 1.951000       1.020000      225.2283      174.2  
1 1 1 38 2  9  o 3.115000       1.065000      220.6278      -54.7  
1 1 1 38 2  10 o 3.533000       1.082000      269.6658      178.9  
1 1 1 38 2  11 o 3.478000       1.110000      244.9733      -153.2 
1 1 1 38 2  12 o 1.941000       1.074000      147.1733      -106.1 
1 1 1 38 2  13 o 0.5212000      1.092000      87.67047      102.2  
1 1 1 38 2  14 o 2.559000       1.024000      45.73048      118.4  
1 1 1 38 2  15 o 3.612000       1.031000      191.8164      38.4   
1 1 1 38 2  16 o 0.3631000      1.026000      110.7160      138.9  
1 1 1 38 2  17 o 2.688000       1.025000      241.6813      -156.4 
1 1 1 38 2  18 o 1.767000       1.026000      59.24759      -146.4 
1 1 1 38 2  19 o 1.759000       1.029000      149.1093      170.2  
1 1 1 38 2  20 o 0.8095000      1.036000      172.5666      -109.1 
1 1 1 38 2  21 o -0.5028000     1.028000      114.5164      3.1    
1 1 1 38 2  22 o -0.4968000     1.024000      129.6054      -24.3  
1 1 1 38 2  23 o 2.192000       1.028000      210.6392      -2.0   
1 1 1 38 2  24 o 4.234000       1.055000      193.3877      99.4   
1 1 1 38 2  25 o 3.964000       1.052000      276.9685      2.1    
1 1 1 38 2  26 o 1.531000       1.051000      135.8963      11.1   
1 1 1 38 2  27 o 0.2516000E-01  1.038000      60.53531      40.3   
1 1 1 38 2  28 o 2.933000       1.053000      213.6063      92.3   
1 1 1 38 2  29 o -0.6961000     1.048000      111.9382      -174.7 
1 1 1 38 2  30 o -0.5247000     1.105000      134.5981      155.4  
1 1 1 38 2  31 o 0.2498000      1.378000      79.24500      -130.6 
1 1 1 38 2  32 o 0.2522000      1.531000      132.6873      150.2  
1 1 1 38 2  33 o 3.756000       1.782000      ?             ?      
1 1 1 38 2  34 o 1.026000       2.006000      ?             ?      
1 1 1 38 2  35 o 1.114000       1.321000      ?             ?      
1 1 1 38 2  36 o -0.8036000     1.270000      ?             ?      
1 1 1 38 2  37 o -1.002000      1.229000      ?             ?      
1 1 1 38 2  38 o -0.6275000     1.137000      ?             ?      
1 1 1 38 2  39 o -0.4647000     1.105000      ?             ?      
1 1 1 38 2  40 o 1.135000       1.133000      ?             ?      
1 1 1 38 2  41 o 1.666000       1.076000      ?             ?      
1 1 1 38 2  42 o -0.2282000     1.074000      ?             ?      
1 1 1 38 2  43 o 0.8422000      1.099000      ?             ?      
1 1 1 38 2  44 o 0.9407000E-01  1.129000      ?             ?      
1 1 1 38 2  45 o 0.8120000      1.168000      ?             ?      
1 1 1 38 2  46 o 0.3592000      1.256000      ?             ?      
1 1 1 38 2  47 o -0.1035000     1.243000      ?             ?      
1 1 1 38 2  48 o 0.7149000E-01  1.075000      ?             ?      
1 1 1 38 2  49 o -0.1064000     1.098000      ?             ?      
1 1 1 38 2  50 o 1.671000       1.099000      ?             ?      
1 1 1 38 2  51 o 0.4857000      1.096000      ?             ?      
1 1 1 38 2  52 o 0.7769000      1.115000      ?             ?      
1 1 1 38 2  53 o -1.387000      1.330000      ?             ?      
1 1 1 38 2  54 o 2.357000       1.682000      ?             ?      
1 1 1 38 2  55 o 1.723000       1.977000      ?             ?      
1 1 1 38 2  56 o -0.6684000E-01 1.874000      ?             ?      
1 1 1 38 3  0  o -0.3606000     1.287000      54.30918      180.0  
1 1 1 38 3  1  o 2.732000       0.9260000     307.7890      -112.3 
1 1 1 38 3  2  o -0.4504000     0.9265000     70.24393      29.9   
1 1 1 38 3  3  o 3.917000       0.9434000     201.5159      27.9   
1 1 1 38 3  4  o 0.1600000E-01  0.9281000     115.8848      -161.1 
1 1 1 38 3  5  o 1.568000       0.9410000     79.73018      -47.2  
1 1 1 38 3  6  o 5.811000       0.9968000     383.9413      -140.0 
1 1 1 38 3  7  o 0.6364000      0.9968000     126.1429      120.0  
1 1 1 38 3  8  o 2.007000       1.022000      166.1207      26.5   
1 1 1 38 3  9  o 6.911000       1.127000      424.9104      -105.7 
1 1 1 38 3  10 o 2.764000       1.139000      179.1648      -7.5   
1 1 1 38 3  11 o -0.1769000     1.074000      145.9972      -85.3  
1 1 1 38 3  12 o 0.8527000      1.068000      99.98519      -21.2  
1 1 1 38 3  13 o 0.5206000      1.055000      77.37239      148.5  
1 1 1 38 3  14 o 2.023000       1.030000      140.9946      -153.0 
1 1 1 38 3  15 o 0.8190000      1.016000      164.7473      -105.5 
1 1 1 38 3  16 o 0.2846000      1.029000      83.62655      -122.2 
1 1 1 38 3  17 o 3.984000       1.044000      217.4077      -113.3 
1 1 1 38 3  18 o 2.944000       1.085000      383.1318      11.1   
1 1 1 38 3  19 o -1.566000      1.021000      49.56272      -97.0  
1 1 1 38 3  20 o 0.7837000      1.029000      83.47887      115.2  
1 1 1 38 3  21 o 0.4420000      1.026000      24.85416      -26.9  
1 1 1 38 3  22 o 0.5787000E-01  1.017000      53.66190      -44.5  
1 1 1 38 3  23 o 0.7046000      1.017000      118.0384      29.8   
1 1 1 38 3  24 o 1.687000       1.028000      85.09623      -132.1 
1 1 1 38 3  25 o 6.208000       1.073000      181.6595      -119.8 
1 1 1 38 3  26 o 0.1725000      1.035000      99.72740      61.7   
1 1 1 38 3  27 o 2.883000       1.051000      121.6273      155.9  
1 1 1 38 3  28 o 0.1937000      1.102000      44.22986      -80.8  
1 1 1 38 3  29 o 1.222000       1.119000      199.6396      -122.3 
1 1 1 38 3  30 o 1.659000       1.192000      168.3976      -62.2  
1 1 1 38 3  31 o -0.2127000     1.299000      153.0404      -140.4 
1 1 1 38 3  32 o 1.419000       1.693000      171.4069      -3.9   
1 1 1 38 3  33 o -0.2389000     1.594000      ?             ?      
1 1 1 38 3  34 o -0.1498000E-01 1.996000      ?             ?      
1 1 1 38 3  35 o 0.3341000      1.202000      ?             ?      
1 1 1 38 3  36 o 0.5496000      1.234000      ?             ?      
1 1 1 38 3  37 o 0.4433000E-03  1.141000      ?             ?      
1 1 1 38 3  38 o -0.6936000     1.138000      ?             ?      
1 1 1 38 3  39 o -0.5633000     1.129000      ?             ?      
1 1 1 38 3  40 o 0.8015000      1.035000      ?             ?      
1 1 1 38 3  41 o 0.1833000      1.058000      ?             ?      
1 1 1 38 3  42 o 0.2604000      1.230000      ?             ?      
1 1 1 38 3  43 o 1.055000       1.134000      ?             ?      
1 1 1 38 3  44 o 0.7145000      1.264000      ?             ?      
1 1 1 38 3  45 o -0.2019000     1.137000      ?             ?      
1 1 1 38 3  46 o 0.5926000      1.089000      ?             ?      
1 1 1 38 3  47 o -0.5495000     1.073000      ?             ?      
1 1 1 38 3  48 o 0.1940000      1.084000      ?             ?      
1 1 1 38 3  49 o -0.4413000     1.073000      ?             ?      
1 1 1 38 3  50 o 0.8419000      1.085000      ?             ?      
1 1 1 38 3  51 o 0.4488000      1.103000      ?             ?      
1 1 1 38 3  52 o -1.454000      1.127000      ?             ?      
1 1 1 38 3  53 o 0.3840000E-01  1.292000      ?             ?      
1 1 1 38 3  54 o 1.236000       1.305000      ?             ?      
1 1 1 38 3  55 o 1.558000       2.012000      ?             ?      
1 1 1 38 3  56 o 0.9691000      1.713000      ?             ?      
1 1 1 38 4  0  o -1.827000      1.280000      64.37651      -0.0   
1 1 1 38 4  1  o 1.673000       0.9120000     103.5570      -71.8  
1 1 1 38 4  2  o 3.531000       0.9500000     434.6534      -13.8  
1 1 1 38 4  3  o 1.485000       0.9463000     166.6781      -158.8 
1 1 1 38 4  4  o -0.5680000     0.9320000     99.88784      -36.3  
1 1 1 38 4  5  o 0.3536000      0.9291000     108.7654      -159.5 
1 1 1 38 4  6  o 0.3696000      0.9498000     217.2166      99.7   
1 1 1 38 4  7  o 0.4127000      0.9797000     115.0136      -82.6  
1 1 1 38 4  8  o -1.238000      0.9909000     164.3362      -153.4 
1 1 1 38 4  9  o -0.6354000     1.028000      150.7423      93.3   
1 1 1 38 4  10 o 1.112000       1.104000      161.5963      167.8  
1 1 1 38 4  11 o -0.2071000     1.083000      118.0893      -141.2 
1 1 1 38 4  12 o 0.8006000E-01  1.069000      108.1238      -35.4  
1 1 1 38 4  13 o 0.8451000      1.057000      64.00711      29.9   
1 1 1 38 4  14 o 1.494000       1.099000      81.92903      -167.6 
1 1 1 38 4  15 o -0.2658000     1.017000      134.0551      178.3  
1 1 1 38 4  16 o 0.9589000      1.117000      86.34171      99.9   
1 1 1 38 4  17 o -1.525000      1.025000      89.07464      -3.6   
1 1 1 38 4  18 o 0.2936000      1.020000      110.3271      -19.1  
1 1 1 38 4  19 o 2.900000       1.037000      233.2217      168.0  
1 1 1 38 4  20 o 2.189000       1.043000      216.1421      -87.5  
1 1 1 38 4  21 o -0.2200000     1.026000      104.1525      89.8   
1 1 1 38 4  22 o 0.7647000      1.014000      53.35180      -20.0  
1 1 1 38 4  23 o -0.6615000     1.014000      73.93745      -10.6  
1 1 1 38 4  24 o 1.661000       1.025000      107.0310      -160.0 
1 1 1 38 4  25 o 2.347000       1.115000      168.2558      -3.8   
1 1 1 38 4  26 o -0.1677000     1.138000      89.74712      14.2   
1 1 1 38 4  27 o -0.9916000     1.104000      58.93837      -139.1 
1 1 1 38 4  28 o 1.232000       1.078000      92.01140      -58.6  
1 1 1 38 4  29 o -1.358000      1.080000      51.79291      59.3   
1 1 1 38 4  30 o 0.7337000      1.212000      132.3755      -28.9  
1 1 1 38 4  31 o 1.636000       1.223000      129.2048      83.0   
1 1 1 38 4  32 o 0.8103000      1.346000      103.2417      155.0  
1 1 1 38 4  33 o 2.523000       1.974000      ?             ?      
1 1 1 38 4  34 o -2.128000      1.931000      ?             ?      
1 1 1 38 4  35 o -0.6950000     1.413000      ?             ?      
1 1 1 38 4  36 o -0.2359000     1.268000      ?             ?      
1 1 1 38 4  37 o 0.1030000      1.096000      ?             ?      
1 1 1 38 4  38 o 1.153000       1.178000      ?             ?      
1 1 1 38 4  39 o -0.4583000     1.184000      ?             ?      
1 1 1 38 4  40 o -1.312000      1.126000      ?             ?      
1 1 1 38 4  41 o -0.1352000     1.250000      ?             ?      
1 1 1 38 4  42 o -0.7174000     1.254000      ?             ?      
1 1 1 38 4  43 o 0.8928000E-01  1.053000      ?             ?      
1 1 1 38 4  44 o 1.226000       1.069000      ?             ?      
1 1 1 38 4  45 o 1.879000       1.144000      ?             ?      
1 1 1 38 4  46 o -2.156000      1.068000      ?             ?      
1 1 1 38 4  47 o -0.3606000     1.130000      ?             ?      
1 1 1 38 4  48 o 0.3371000      1.129000      ?             ?      
1 1 1 38 4  49 o -0.1144000     1.078000      ?             ?      
1 1 1 38 4  50 o 2.128000       1.112000      ?             ?      
1 1 1 38 4  51 o 0.5365000      1.113000      ?             ?      
1 1 1 38 4  52 o 0.2990000      1.279000      ?             ?      
1 1 1 38 4  53 o 0.7687000      1.301000      ?             ?      
1 1 1 38 4  54 o 0.8092000      1.343000      ?             ?      
1 1 1 38 4  55 o 1.402000       1.976000      ?             ?      
1 1 1 38 4  56 o -0.2303000     2.177000      ?             ?      
1 1 1 38 5  0  o 2.005000       1.274000      206.4076      -180.0 
1 1 1 38 5  1  o 0.6625000      0.9131000     174.4031      112.9  
1 1 1 38 5  2  o 3.575000       0.9470000     281.7195      9.5    
1 1 1 38 5  3  o -0.3460000     0.9383000     251.9867      44.1   
1 1 1 38 5  4  o 2.605000       0.9409000     225.4696      -64.4  
1 1 1 38 5  5  o 1.054000       0.9330000     116.6539      -134.0 
1 1 1 38 5  6  o 0.5994000      0.9456000     119.9673      -118.8 
1 1 1 38 5  7  o -2.219000      0.9709000     93.11722      167.4  
1 1 1 38 5  8  o 0.4257000      0.9867000     126.3715      -121.3 
1 1 1 38 5  9  o 0.7303000      1.090000      295.1813      -126.0 
1 1 1 38 5  10 o 0.8200000      1.041000      131.8670      52.5   
1 1 1 38 5  11 o 1.159000       1.082000      108.5276      -55.7  
1 1 1 38 5  12 o 0.4050000      1.078000      161.8991      -3.8   
1 1 1 38 5  13 o -0.3622000     1.057000      126.8776      -152.6 
1 1 1 38 5  14 o -1.691000      1.072000      99.49725      -130.6 
1 1 1 38 5  15 o -0.5774000     1.026000      14.41900      -25.3  
1 1 1 38 5  16 o 0.8158000      1.005000      93.88840      -136.9 
1 1 1 38 5  17 o -0.5672000     1.019000      102.6767      137.6  
1 1 1 38 5  18 o 2.368000       1.038000      238.4482      31.5   
1 1 1 38 5  19 o -2.257000      1.020000      107.3858      -52.3  
1 1 1 38 5  20 o 1.010000       1.031000      98.17889      -89.9  
1 1 1 38 5  21 o 0.2126000      1.027000      191.7472      -12.6  
1 1 1 38 5  22 o 0.4862000      1.017000      61.32967      94.8   
1 1 1 38 5  23 o 0.2119000      1.086000      112.3094      -52.7  
1 1 1 38 5  24 o 0.3685000      1.074000      110.9775      154.5  
1 1 1 38 5  25 o 0.3977000      1.116000      95.65744      79.9   
1 1 1 38 5  26 o -1.246000      1.067000      111.7622      58.6   
1 1 1 38 5  27 o -0.6822000     1.047000      52.16196      118.4  
1 1 1 38 5  28 o -0.2362000     1.045000      18.34159      -28.2  
1 1 1 38 5  29 o -0.2303000     1.052000      85.84513      -141.6 
1 1 1 38 5  30 o 0.7140000      1.201000      38.63430      -18.4  
1 1 1 38 5  31 o 0.7841000      1.233000      73.98109      53.7   
1 1 1 38 5  32 o 0.2719000      1.319000      142.8868      -30.0  
1 1 1 38 5  33 o 2.447000       1.958000      ?             ?      
1 1 1 38 5  34 f 0.7398000      1.375000      ?             ?      
1 1 1 38 5  35 o -1.321000      1.307000      ?             ?      
1 1 1 38 5  36 o -0.2295000     1.107000      ?             ?      
1 1 1 38 5  37 o 0.3273000      1.149000      ?             ?      
1 1 1 38 5  38 o 0.4769000      1.250000      ?             ?      
1 1 1 38 5  39 o 0.4126000      1.502000      ?             ?      
1 1 1 38 5  40 o 1.189000       1.489000      ?             ?      
1 1 1 38 5  41 o -1.397000      1.021000      ?             ?      
1 1 1 38 5  42 o 1.049000       1.007000      ?             ?      
1 1 1 38 5  43 o 1.327000       1.064000      ?             ?      
1 1 1 38 5  44 o -0.6194000     1.063000      ?             ?      
1 1 1 38 5  45 o -0.4476000     1.059000      ?             ?      
1 1 1 38 5  46 o -0.4450000     1.063000      ?             ?      
1 1 1 38 5  47 o 0.6946000      1.144000      ?             ?      
1 1 1 38 5  48 o 0.3832000      1.122000      ?             ?      
1 1 1 38 5  49 o 1.084000       1.094000      ?             ?      
1 1 1 38 5  50 o 0.4975000E-01  1.156000      ?             ?      
1 1 1 38 5  51 o 1.959000       1.142000      ?             ?      
1 1 1 38 5  52 o 1.351000       1.292000      ?             ?      
1 1 1 38 5  53 o -2.082000      1.355000      ?             ?      
1 1 1 38 5  54 o 0.6617000      1.337000      ?             ?      
1 1 1 38 5  55 o -2.066000      1.438000      ?             ?      
1 1 1 38 5  56 o 1.106000       1.453000      ?             ?      
1 1 1 38 6  0  o 1.018000       1.253000      3.753306      180.0  
1 1 1 38 6  1  o 0.3328000      0.8971000     101.0142      -49.2  
1 1 1 38 6  2  o 0.1031000      0.9156000     33.77217      -114.2 
1 1 1 38 6  3  o -1.139000      0.9243000     128.1184      52.1   
1 1 1 38 6  4  o -0.9855000     0.9367000     141.3402      137.6  
1 1 1 38 6  5  o 0.5844000      0.9367000     27.67630      164.9  
1 1 1 38 6  6  o 0.3332000      0.9506000     98.66277      -94.6  
1 1 1 38 6  7  o 0.7086000      0.9594000     97.33064      -10.5  
1 1 1 38 6  8  o -0.9334000     0.9823000     111.1818      -60.1  
1 1 1 38 6  9  f 1.143000       1.033000      78.21060      133.9  
1 1 1 38 6  10 o 1.355000       1.037000      87.58344      149.8  
1 1 1 38 6  11 o 0.5853000      1.074000      77.74420      -18.8  
1 1 1 38 6  12 o -0.4636000     1.069000      138.5530      49.7   
1 1 1 38 6  13 o 0.1197000      1.063000      44.69264      137.6  
1 1 1 38 6  14 o -1.190000      1.060000      40.02214      -138.3 
1 1 1 38 6  15 o -0.1281000     1.089000      95.11684      165.0  
1 1 1 38 6  16 o 1.188000       1.030000      20.50795      167.6  
1 1 1 38 6  17 o 0.6562000      1.020000      61.61664      14.2   
1 1 1 38 6  18 o -1.344000      1.025000      80.78611      148.7  
1 1 1 38 6  19 o -0.4507000     1.030000      67.58273      -143.7 
1 1 1 38 6  20 o 0.7660000      1.109000      87.02692      51.1   
1 1 1 38 6  21 o 0.2352000E-01  1.109000      40.85105      129.4  
1 1 1 38 6  22 o -1.440000      1.063000      90.19299      1.7    
1 1 1 38 6  23 o 0.5325000      1.064000      126.2088      -171.6 
1 1 1 38 6  24 o 1.041000       1.060000      125.0818      -132.8 
1 1 1 38 6  25 o -0.5822000     1.018000      24.68381      -92.6  
1 1 1 38 6  26 o -0.7918000E-01 1.037000      55.46898      151.2  
1 1 1 38 6  27 o -1.198000      1.045000      86.93600      -97.0  
1 1 1 38 6  28 o 0.4584000      1.053000      47.01828      -174.2 
1 1 1 38 6  29 o 0.4851000E-01  1.067000      113.2798      142.8  
1 1 1 38 6  30 o -1.692000      1.220000      52.85101      -64.7  
1 1 1 38 6  31 o 1.722000       1.284000      103.8646      96.2   
1 1 1 38 6  32 o 0.7041000E-01  1.202000      28.33533      176.8  
1 1 1 38 6  33 o 0.9400000      1.593000      ?             ?      
1 1 1 38 6  34 o 0.4361000      1.401000      ?             ?      
1 1 1 38 6  35 o 0.4582000      1.344000      ?             ?      
1 1 1 38 6  36 o -0.2462000     1.108000      ?             ?      
1 1 1 38 6  37 o 0.4760000      1.365000      ?             ?      
1 1 1 38 6  38 o 0.5815000      1.098000      ?             ?      
1 1 1 38 6  39 o -0.4234000     1.170000      ?             ?      
1 1 1 38 6  40 o 0.1637000E-01  1.106000      ?             ?      
1 1 1 38 6  41 o -0.3169000     1.053000      ?             ?      
1 1 1 38 6  42 o 0.3689000      1.004000      ?             ?      
1 1 1 38 6  43 o 1.977000       1.020000      ?             ?      
1 1 1 38 6  44 o 0.7439000      1.039000      ?             ?      
1 1 1 38 6  45 o 0.6468000      1.051000      ?             ?      
1 1 1 38 6  46 o 0.8117000      1.059000      ?             ?      
1 1 1 38 6  47 f 0.8507000      1.059000      ?             ?      
1 1 1 38 6  48 o -1.337000      1.067000      ?             ?      
1 1 1 38 6  49 o 0.2667000      1.155000      ?             ?      
1 1 1 38 6  50 o -0.2466000     1.178000      ?             ?      
1 1 1 38 6  51 o -1.297000      1.149000      ?             ?      
1 1 1 38 6  52 o 1.478000       1.348000      ?             ?      
1 1 1 38 6  53 o -0.5206000     1.309000      ?             ?      
1 1 1 38 6  54 o 0.3026000E-01  1.323000      ?             ?      
1 1 1 38 6  55 o 0.6090000      1.706000      ?             ?      
1 1 1 38 6  56 o -1.132000      1.363000      ?             ?      
1 1 1 38 7  0  o 1.428000       1.248000      76.35950      0.0    
1 1 1 38 7  1  o 0.2551000      0.8837000     31.40832      -156.2 
1 1 1 38 7  2  o 1.058000       0.9059000     109.8227      -73.8  
1 1 1 38 7  3  o 0.3366000      0.9281000     123.9053      7.6    
1 1 1 38 7  4  o -0.4299000     1.272000      84.41183      164.1  
1 1 1 38 7  5  o 1.166000       0.9526000     133.8503      -100.6 
1 1 1 38 7  6  o -2.432000      0.9452000     135.8643      57.5   
1 1 1 38 7  7  o -0.9858000     0.9518000     40.76012      -174.4 
1 1 1 38 7  8  o -2.117000      0.9891000     114.7483      140.7  
1 1 1 38 7  9  o -0.2833000     1.013000      95.84074      -133.1 
1 1 1 38 7  10 o 0.7131000      1.017000      136.9117      8.7    
1 1 1 38 7  11 o 0.3666000E-01  1.064000      32.96194      -15.3  
1 1 1 38 7  12 o -1.400000      1.066000      60.75174      79.2   
1 1 1 38 7  13 o 0.9403000      1.073000      71.50391      -163.0 
1 1 1 38 7  14 o 1.729000       1.075000      58.97890      -113.5 
1 1 1 38 7  15 o -0.5701000     1.090000      38.57540      -76.7  
1 1 1 38 7  16 o 0.6298000      1.142000      40.90288      -119.1 
1 1 1 38 7  17 o -0.3705000     1.156000      138.0121      20.9   
1 1 1 38 7  18 o -1.419000      1.163000      83.22000      0.3    
1 1 1 38 7  19 o -1.280000      1.096000      92.04057      -39.6  
1 1 1 38 7  20 o -0.8859000E-01 1.123000      71.28023      -27.3  
1 1 1 38 7  21 o -1.329000      1.051000      66.06975      5.7    
1 1 1 38 7  22 o 1.607000       1.030000      74.54248      -94.0  
1 1 1 38 7  23 o -0.1142000     1.032000      119.6257      -26.2  
1 1 1 38 7  24 o 1.609000       1.028000      18.49438      -46.0  
1 1 1 38 7  25 o 0.2218000      1.021000      81.23078      -19.0  
1 1 1 38 7  26 o 0.7139000      1.045000      130.5058      -34.3  
1 1 1 38 7  27 o -1.684000      1.056000      41.69947      177.9  
1 1 1 38 7  28 o -1.496000      1.260000      73.47137      -141.6 
1 1 1 38 7  29 o -1.941000      1.199000      91.66909      -128.9 
1 1 1 38 7  30 o -1.699000      1.210000      34.63939      166.3  
1 1 1 38 7  31 o -0.3709000     1.323000      112.8472      70.8   
1 1 1 38 7  32 o 0.9217000      1.302000      ?             ?      
1 1 1 38 7  33 o 0.5136000      1.597000      ?             ?      
1 1 1 38 7  34 o 1.352000       1.249000      ?             ?      
1 1 1 38 7  35 o 2.409000       1.290000      ?             ?      
1 1 1 38 7  36 o -0.8246000     1.087000      ?             ?      
1 1 1 38 7  37 o 0.2753000      1.074000      ?             ?      
1 1 1 38 7  38 o -0.5040000     1.065000      ?             ?      
1 1 1 38 7  39 o -0.8433000E-01 1.109000      ?             ?      
1 1 1 38 7  40 o 0.6657000      1.101000      ?             ?      
1 1 1 38 7  41 o -1.777000      1.075000      ?             ?      
1 1 1 38 7  42 o 0.1258000      1.005000      ?             ?      
1 1 1 38 7  43 o 1.135000       1.008000      ?             ?      
1 1 1 38 7  44 o -0.1524000     1.010000      ?             ?      
1 1 1 38 7  45 o -0.4323000     1.049000      ?             ?      
1 1 1 38 7  46 f -0.1218000E-01 1.042000      ?             ?      
1 1 1 38 7  47 o -1.265000      1.043000      ?             ?      
1 1 1 38 7  48 o -0.3214000E-01 1.057000      ?             ?      
1 1 1 38 7  49 o 0.5368000      1.083000      ?             ?      
1 1 1 38 7  50 o -0.1699000     1.110000      ?             ?      
1 1 1 38 7  51 o -1.636000      1.600000      ?             ?      
1 1 1 38 7  52 o 1.605000       1.452000      ?             ?      
1 1 1 38 7  53 o 0.5371000      1.292000      ?             ?      
1 1 1 38 7  54 o -1.416000      1.350000      ?             ?      
1 1 1 38 7  55 o 0.5261000      1.313000      ?             ?      
1 1 1 38 8  0  o 0.6126000      1.249000      141.9505      -0.0   
1 1 1 38 8  1  o -0.6330000     0.8953000     62.38294      138.6  
1 1 1 38 8  2  o -1.132000      0.8987000     44.26107      16.7   
1 1 1 38 8  3  o -1.095000      0.9213000     26.21113      29.9   
1 1 1 38 8  4  o 0.8344000E-01  0.9355000     85.80441      163.5  
1 1 1 38 8  5  o 0.8184000E-01  0.9559000     32.11558      -157.3 
1 1 1 38 8  6  o 0.2513000      0.9507000     66.90632      40.5   
1 1 1 38 8  7  o 0.2924000      0.9563000     6.979753      68.5   
1 1 1 38 8  8  o 0.4760000      1.017000      77.82397      -57.9  
1 1 1 38 8  9  o -0.1490000E-01 1.026000      60.03657      126.9  
1 1 1 38 8  10 o -0.5171000     1.020000      63.55120      -42.1  
1 1 1 38 8  11 o -0.8074000     1.014000      54.61131      62.3   
1 1 1 38 8  12 o -1.146000      1.068000      58.14898      59.5   
1 1 1 38 8  13 o -1.591000      1.172000      67.01254      -84.1  
1 1 1 38 8  14 o 0.1201000E-02  1.084000      67.05396      16.6   
1 1 1 38 8  15 o 1.187000       1.097000      92.76698      84.2   
1 1 1 38 8  16 o -0.4219000     1.120000      66.21110      84.9   
1 1 1 38 8  17 f -0.4033000     1.118000      80.54472      46.4   
1 1 1 38 8  18 o 0.2151000      1.072000      77.80308      113.6  
1 1 1 38 8  19 o 0.3273000      1.062000      96.98530      13.7   
1 1 1 38 8  20 o -0.1224000     1.025000      7.319573      -14.4  
1 1 1 38 8  21 o -0.1853000     1.024000      52.76890      19.0   
1 1 1 38 8  22 o -0.6806000     1.033000      131.4280      54.7   
1 1 1 38 8  23 o -0.3370000E-01 1.032000      68.36992      137.3  
1 1 1 38 8  24 o -1.400000      1.019000      36.90175      102.1  
1 1 1 38 8  25 o -1.477000      1.029000      53.93058      -100.5 
1 1 1 38 8  26 o 1.257000       1.051000      22.94073      83.3   
1 1 1 38 8  27 o 0.9807000      1.070000      42.67474      -13.7  
1 1 1 38 8  28 o 0.5964000      1.095000      94.68340      -124.1 
1 1 1 38 8  29 o 0.6256000      1.388000      37.91930      -141.5 
1 1 1 38 8  30 o 1.292000       1.377000      23.01943      -148.7 
1 1 1 38 8  31 o 1.756000       1.352000      15.19798      87.3   
1 1 1 38 8  32 o -2.994000      1.577000      ?             ?      
1 1 1 38 8  33 o -1.570000      1.255000      ?             ?      
1 1 1 38 8  34 o -1.465000      1.279000      ?             ?      
1 1 1 38 8  35 o -0.5489000     1.258000      ?             ?      
1 1 1 38 8  36 o -2.560000      1.481000      ?             ?      
1 1 1 38 8  37 o -0.2479000     1.067000      ?             ?      
1 1 1 38 8  38 o -0.7450000     1.133000      ?             ?      
1 1 1 38 8  39 o -0.2852000     1.056000      ?             ?      
1 1 1 38 8  40 o -0.4194000     1.134000      ?             ?      
1 1 1 38 8  41 o -1.360000      1.069000      ?             ?      
1 1 1 38 8  42 o 1.216000       1.087000      ?             ?      
1 1 1 38 8  43 o -0.2745000     1.013000      ?             ?      
1 1 1 38 8  44 o 1.238000       1.021000      ?             ?      
1 1 1 38 8  45 o -1.607000      1.035000      ?             ?      
1 1 1 38 8  46 o 1.685000       1.053000      ?             ?      
1 1 1 38 8  47 o 0.4492000      1.051000      ?             ?      
1 1 1 38 8  48 o 0.4621000      1.048000      ?             ?      
1 1 1 38 8  49 o 1.020000       1.089000      ?             ?      
1 1 1 38 8  50 o -2.084000      1.118000      ?             ?      
1 1 1 38 8  51 o -0.6392000     1.272000      ?             ?      
1 1 1 38 8  52 o 2.020000       1.407000      ?             ?      
1 1 1 38 8  53 o -1.114000      1.276000      ?             ?      
1 1 1 38 8  54 o 0.4764000      1.220000      ?             ?      
1 1 1 38 8  55 o -0.9067000     1.622000      ?             ?      
1 1 1 38 9  0  o -0.7502000E-02 1.291000      62.15372      180.0  
1 1 1 38 9  1  o -1.233000      0.9142000     57.34973      137.5  
1 1 1 38 9  2  o -0.1127000     0.9021000     92.37576      -106.9 
1 1 1 38 9  3  o -1.885000      0.9196000     24.53904      -115.6 
1 1 1 38 9  4  o -2.994000      0.9456000     118.2279      139.0  
1 1 1 38 9  5  o 0.2370000      0.9633000     41.43895      -111.5 
1 1 1 38 9  6  o -1.232000      0.9522000     11.92994      75.5   
1 1 1 38 9  7  o 0.1001000      0.9795000     66.35204      111.2  
1 1 1 38 9  8  o 1.598000       1.020000      76.02288      98.6   
1 1 1 38 9  9  o 0.1881000      1.021000      38.33547      33.6   
1 1 1 38 9  10 o -1.290000      1.073000      29.87684      -119.1 
1 1 1 38 9  11 o -0.9388000     1.076000      14.28069      -94.0  
1 1 1 38 9  12 o -0.4411000     1.080000      5.765935      -33.6  
1 1 1 38 9  13 o -1.496000      1.093000      53.29526      -173.4 
1 1 1 38 9  14 o -0.4047000     1.126000      83.79028      179.9  
1 1 1 38 9  15 o -0.3556000     1.149000      26.18859      44.1   
1 1 1 38 9  16 o 0.1378000E-01  1.119000      26.54700      40.2   
1 1 1 38 9  17 o 0.3084000      1.122000      71.70163      169.5  
1 1 1 38 9  18 o -0.7584000E-02 1.050000      35.06062      68.8   
1 1 1 38 9  19 o -1.080000      1.024000      46.79305      -38.0  
1 1 1 38 9  20 o -1.390000      1.018000      72.04060      136.9  
1 1 1 38 9  21 o -1.314000      1.016000      15.93942      64.3   
1 1 1 38 9  22 o 0.3281000      1.032000      48.33448      -108.7 
1 1 1 38 9  23 o 0.2647000      1.031000      55.68910      8.1    
1 1 1 38 9  24 o -1.246000      1.035000      29.00181      -75.7  
1 1 1 38 9  25 f -0.6684000     1.034000      74.51054      -41.3  
1 1 1 38 9  26 o -2.744000      1.048000      56.50612      -4.2   
1 1 1 38 9  27 o 0.3007000      1.118000      47.79964      140.9  
1 1 1 38 9  28 o 2.044000       1.373000      57.85889      -111.0 
1 1 1 38 9  29 o 0.7169000      1.484000      12.54025      -39.5  
1 1 1 38 9  30 o -2.898000      1.973000      9.530816      54.5   
1 1 1 38 9  31 o 1.283000       1.226000      29.37974      141.8  
1 1 1 38 9  32 o 1.704000       1.137000      ?             ?      
1 1 1 38 9  33 o 0.3734000      1.058000      ?             ?      
1 1 1 38 9  34 o -0.3990000     1.258000      ?             ?      
1 1 1 38 9  35 o 0.8760000      1.244000      ?             ?      
1 1 1 38 9  36 o 2.013000       1.289000      ?             ?      
1 1 1 38 9  37 o -0.4910000     1.057000      ?             ?      
1 1 1 38 9  38 o -0.6644000     1.064000      ?             ?      
1 1 1 38 9  39 o -0.3698000     1.040000      ?             ?      
1 1 1 38 9  40 o -0.4087000     1.044000      ?             ?      
1 1 1 38 9  41 o -0.6743000     1.079000      ?             ?      
1 1 1 38 9  42 o -1.247000      1.079000      ?             ?      
1 1 1 38 9  43 o 0.3615000      1.024000      ?             ?      
1 1 1 38 9  44 o -1.462000      1.011000      ?             ?      
1 1 1 38 9  45 o -2.294000      1.002000      ?             ?      
1 1 1 38 9  46 o 0.5991000      1.039000      ?             ?      
1 1 1 38 9  47 o -0.7882000     1.042000      ?             ?      
1 1 1 38 9  48 o -0.8347000E-02 1.060000      ?             ?      
1 1 1 38 9  49 o 0.8239000      1.076000      ?             ?      
1 1 1 38 9  50 o -0.6740000     1.248000      ?             ?      
1 1 1 38 9  51 o -1.197000      1.246000      ?             ?      
1 1 1 38 9  52 o -0.3540000     1.254000      ?             ?      
1 1 1 38 9  53 o -0.5757000     1.245000      ?             ?      
1 1 1 38 9  54 o -0.9062000     1.607000      ?             ?      
1 1 1 38 9  55 o 1.138000       1.178000      ?             ?      
1 1 1 38 10 0  o -0.9665000     1.299000      42.73468      0.0    
1 1 1 38 10 1  o 0.9383000      0.9224000     36.31949      -15.6  
1 1 1 38 10 2  o -1.227000      0.9158000     40.46701      -12.1  
1 1 1 38 10 3  o 0.5152000      0.9246000     37.32272      159.7  
1 1 1 38 10 4  o -1.264000      0.9406000     13.58363      -120.4 
1 1 1 38 10 5  o -0.7922000     0.9531000     44.63315      -97.2  
1 1 1 38 10 6  o 1.457000       0.9619000     31.13083      86.3   
1 1 1 38 10 7  o -3.101000      1.043000      35.20543      128.4  
1 1 1 38 10 8  o 0.6118000E-01  1.094000      16.76261      -164.8 
1 1 1 38 10 9  o -0.4788000     1.072000      43.46943      -135.1 
1 1 1 38 10 10 o -0.8455000     1.029000      44.36874      -2.7   
1 1 1 38 10 11 o -1.350000      1.074000      34.92005      25.4   
1 1 1 38 10 12 o -0.3330000     1.139000      72.79465      -34.6  
1 1 1 38 10 13 o 0.7063000      1.119000      30.47608      -54.6  
1 1 1 38 10 14 o -1.990000      1.098000      31.21371      -118.9 
1 1 1 38 10 15 o -0.1665000     1.091000      59.45679      -18.5  
1 1 1 38 10 16 o -0.9320000     1.099000      20.97535      91.3   
1 1 1 38 10 17 o 0.5328000      1.126000      44.67276      144.3  
1 1 1 38 10 18 o -1.481000      1.159000      23.71155      56.5   
1 1 1 38 10 19 o -0.8219000     1.027000      43.50638      -136.0 
1 1 1 38 10 20 o -0.7423000E-01 1.032000      42.53931      -23.6  
1 1 1 38 10 21 o 0.3563000      1.034000      30.60442      65.3   
1 1 1 38 10 22 o -1.163000      1.035000      6.384809      15.7   
1 1 1 38 10 23 o -0.7816000     1.030000      18.11673      -24.7  
1 1 1 38 10 24 o -0.8378000     1.069000      24.14940      162.9  
1 1 1 38 10 25 o 1.190000       1.083000      78.11703      -18.4  
1 1 1 38 10 26 o 0.7056000E-01  1.055000      49.30302      117.7  
1 1 1 38 10 27 o -0.2728000     1.254000      5.271058      75.1   
1 1 1 38 10 28 o -1.012000      1.239000      40.50121      -163.3 
1 1 1 38 10 29 f -0.8848000     1.275000      4.653412      155.1  
1 1 1 38 10 30 o 1.754000       1.433000      46.18928      -156.9 
1 1 1 38 10 31 o -2.624000      1.160000      ?             ?      
1 1 1 38 10 32 o -0.3569000     1.082000      ?             ?      
1 1 1 38 10 33 o -0.8623000     1.028000      ?             ?      
1 1 1 38 10 34 o -1.977000      1.237000      ?             ?      
1 1 1 38 10 35 o -0.3422000     1.237000      ?             ?      
1 1 1 38 10 36 o -3.663000      1.279000      ?             ?      
1 1 1 38 10 37 o 0.4540000      1.041000      ?             ?      
1 1 1 38 10 38 o 0.8421000      1.059000      ?             ?      
1 1 1 38 10 39 o -0.6410000     1.029000      ?             ?      
1 1 1 38 10 40 o 0.3483000      1.029000      ?             ?      
1 1 1 38 10 41 o -0.4541000     1.082000      ?             ?      
1 1 1 38 10 42 o 0.3180000      1.078000      ?             ?      
1 1 1 38 10 43 o -0.6522000     1.080000      ?             ?      
1 1 1 38 10 44 o -0.1849000     0.9955000     ?             ?      
1 1 1 38 10 45 o -1.472000      0.9841000     ?             ?      
1 1 1 38 10 46 o 0.5340000      0.9934000     ?             ?      
1 1 1 38 10 47 o -0.5710000     1.030000      ?             ?      
1 1 1 38 10 48 o -1.193000      1.050000      ?             ?      
1 1 1 38 10 49 o -0.6239000     1.072000      ?             ?      
1 1 1 38 10 50 o -0.6542000     1.232000      ?             ?      
1 1 1 38 10 51 o -0.1134000     1.305000      ?             ?      
1 1 1 38 10 52 o -0.3870000     1.254000      ?             ?      
1 1 1 38 10 53 o 0.5282000E-01  1.183000      ?             ?      
1 1 1 38 10 54 o -0.4613000     1.140000      ?             ?      
1 1 1 38 10 55 o -0.4739000     1.155000      ?             ?      
1 1 1 38 11 0  o -0.8059000     1.314000      56.06900      -0.0   
1 1 1 38 11 1  o -0.1648000     0.9289000     40.85461      -78.5  
1 1 1 38 11 2  o -1.290000      0.9188000     61.06689      -134.4 
1 1 1 38 11 3  o -1.833000      0.9256000     42.33413      123.5  
1 1 1 38 11 4  o -0.8798000     0.9453000     14.78118      125.5  
1 1 1 38 11 5  o 0.7655000E-01  0.9859000     35.91473      -17.2  
1 1 1 38 11 6  o -0.5100000     1.007000      38.07170      12.7   
1 1 1 38 11 7  o -0.7076000     1.036000      43.26136      105.3  
1 1 1 38 11 8  o -0.1144000     1.028000      32.74770      79.9   
1 1 1 38 11 9  o 0.6098000E-02  1.079000      40.54829      55.6   
1 1 1 38 11 10 o 0.3201000      1.102000      58.40523      -119.1 
1 1 1 38 11 11 o 0.4203000E-01  1.047000      45.81423      177.1  
1 1 1 38 11 12 o 0.5490000      1.029000      19.65072      -26.1  
1 1 1 38 11 13 o 0.1596000      1.152000      49.24668      -164.4 
1 1 1 38 11 14 o 1.272000       1.104000      7.786248      89.3   
1 1 1 38 11 15 o -3.205000      1.107000      4.964839      102.9  
1 1 1 38 11 16 o -0.8815000     1.114000      24.25709      141.8  
1 1 1 38 11 17 o -0.2395000     1.129000      44.80954      110.9  
1 1 1 38 11 18 o 1.065000       1.139000      72.11189      -72.0  
1 1 1 38 11 19 o -0.4989000E-01 1.162000      4.544892      -135.5 
1 1 1 38 11 20 o -0.7546000     1.015000      26.13943      106.7  
1 1 1 38 11 21 o -1.675000      1.037000      76.61565      5.7    
1 1 1 38 11 22 o -0.1472000     1.084000      43.86495      6.5    
1 1 1 38 11 23 o 1.071000       1.083000      22.54790      -137.3 
1 1 1 38 11 24 o -2.236000      1.195000      18.79191      36.5   
1 1 1 38 11 25 o -1.020000      1.213000      15.07845      -44.7  
1 1 1 38 11 26 o 0.6093000      1.046000      34.49832      174.4  
1 1 1 38 11 27 o -0.3929000     1.078000      14.52689      163.0  
1 1 1 38 11 28 o -0.1488000     1.226000      40.58369      25.7   
1 1 1 38 11 29 o -0.6535000     1.415000      32.65009      136.0  
1 1 1 38 11 30 o 1.071000       1.199000      26.21974      -11.9  
1 1 1 38 11 31 o 0.9226000      1.151000      ?             ?      
1 1 1 38 11 32 o 0.1478000      1.057000      ?             ?      
1 1 1 38 11 33 o -1.270000      1.011000      ?             ?      
1 1 1 38 11 34 o 0.3726000      1.225000      ?             ?      
1 1 1 38 11 35 o -1.390000      1.225000      ?             ?      
1 1 1 38 11 36 o -1.399000      1.238000      ?             ?      
1 1 1 38 11 37 o -0.4501000     1.057000      ?             ?      
1 1 1 38 11 38 o -0.6056000     1.036000      ?             ?      
1 1 1 38 11 39 o -0.9704000     0.9845000     ?             ?      
1 1 1 38 11 40 o -0.7366000     1.009000      ?             ?      
1 1 1 38 11 41 o 0.5782000      1.017000      ?             ?      
1 1 1 38 11 42 o 0.1133000      1.079000      ?             ?      
1 1 1 38 11 43 o 0.7368000      1.060000      ?             ?      
1 1 1 38 11 44 o 0.1602000      1.034000      ?             ?      
1 1 1 38 11 45 o -0.4851000E-01 0.9880000     ?             ?      
1 1 1 38 11 46 o 0.4829000      0.9891000     ?             ?      
1 1 1 38 11 47 o -0.3191000     1.001000      ?             ?      
1 1 1 38 11 48 o 0.9544000E-01  1.059000      ?             ?      
1 1 1 38 11 49 o 1.163000       1.082000      ?             ?      
1 1 1 38 11 50 o 1.149000       1.233000      ?             ?      
1 1 1 38 11 51 o -1.158000      1.233000      ?             ?      
1 1 1 38 11 52 o -1.440000      1.221000      ?             ?      
1 1 1 38 11 53 o 0.6793000      1.187000      ?             ?      
1 1 1 38 11 54 o 1.784000       1.147000      ?             ?      
1 1 1 38 11 55 o 0.1448000      1.350000      ?             ?      
1 1 1 38 12 0  o -2.351000      1.331000      21.68058      0.0    
1 1 1 38 12 1  o 0.1947000      0.9558000     27.97645      -133.1 
1 1 1 38 12 2  o -0.9557000     0.9486000     13.14130      -43.8  
1 1 1 38 12 3  o -1.222000      0.9651000     36.76549      -2.0   
1 1 1 38 12 4  o -1.817000      0.9404000     50.05994      91.1   
1 1 1 38 12 5  o 0.1512000      0.9488000     32.47980      9.5    
1 1 1 38 12 6  o 0.7829000      1.107000      17.33686      -113.8 
1 1 1 38 12 7  o -0.7829000     1.083000      61.40813      107.2  
1 1 1 38 12 8  o 1.514000       1.037000      74.79478      69.1   
1 1 1 38 12 9  o -1.851000      1.030000      25.79844      158.5  
1 1 1 38 12 10 o -0.9853000E-01 1.036000      22.58485      -131.9 
1 1 1 38 12 11 o -1.225000      1.037000      24.23099      39.1   
1 1 1 38 12 12 o -0.4740000     1.047000      37.85398      -147.1 
1 1 1 38 12 13 o -0.7214000E-01 1.134000      56.33966      82.0   
1 1 1 38 12 14 o -1.074000      1.119000      59.54862      -75.2  
1 1 1 38 12 15 o -0.5926000     1.117000      61.16738      -120.6 
1 1 1 38 12 16 o 1.559000       1.127000      43.50605      129.8  
1 1 1 38 12 17 o 2.133000       1.124000      48.79401      127.4  
1 1 1 38 12 18 o -1.017000      1.142000      31.05178      -60.2  
1 1 1 38 12 19 o -0.5568000     1.189000      40.66882      -38.1  
1 1 1 38 12 20 o 0.6991000      1.093000      63.38863      110.9  
1 1 1 38 12 21 o -0.5132000E-01 1.044000      31.95990      44.6   
1 1 1 38 12 22 o -0.2531000     1.165000      18.45385      168.9  
1 1 1 38 12 23 o -1.112000      1.181000      34.03289      26.3   
1 1 1 38 12 24 o 0.1049000E-01  1.044000      10.51312      -122.8 
1 1 1 38 12 25 o -0.7149000     1.038000      29.61652      -106.8 
1 1 1 38 12 26 o -0.4560000     1.042000      15.42264      -7.0   
1 1 1 38 12 27 o -1.438000      1.210000      19.81111      116.1  
1 1 1 38 12 28 o -2.688000      1.249000      32.41720      -88.7  
1 1 1 38 12 29 o 0.2749000      1.403000      46.25530      77.9   
1 1 1 38 12 30 o -0.2703000     1.156000      ?             ?      
1 1 1 38 12 31 o -0.4107000     1.104000      ?             ?      
1 1 1 38 12 32 o -1.263000      1.024000      ?             ?      
1 1 1 38 12 33 o 0.5334000      1.005000      ?             ?      
1 1 1 38 12 34 o -0.4481000     1.021000      ?             ?      
1 1 1 38 12 35 o 1.407000       1.395000      ?             ?      
1 1 1 38 12 36 o 0.8611000      1.241000      ?             ?      
1 1 1 38 12 37 o -1.608000      1.065000      ?             ?      
1 1 1 38 12 38 o 0.1394000      1.050000      ?             ?      
1 1 1 38 12 39 o -0.7498000     1.040000      ?             ?      
1 1 1 38 12 40 o -1.718000      1.007000      ?             ?      
1 1 1 38 12 41 o -0.7139000     1.027000      ?             ?      
1 1 1 38 12 42 o -0.5212000     1.086000      ?             ?      
1 1 1 38 12 43 o 0.7865000      1.070000      ?             ?      
1 1 1 38 12 44 o -0.9370000     1.065000      ?             ?      
1 1 1 38 12 45 o -0.9660000     0.9918000     ?             ?      
1 1 1 38 12 46 o 1.198000       0.9926000     ?             ?      
1 1 1 38 12 47 o -0.6245000     1.006000      ?             ?      
1 1 1 38 12 48 o -0.4238000     1.023000      ?             ?      
1 1 1 38 12 49 o -0.8669000     1.195000      ?             ?      
1 1 1 38 12 50 o 1.927000       1.276000      ?             ?      
1 1 1 38 12 51 o -1.985000      1.215000      ?             ?      
1 1 1 38 12 52 o -0.9522000     1.232000      ?             ?      
1 1 1 38 12 53 o 0.2678000      1.128000      ?             ?      
1 1 1 38 12 54 o 1.282000       1.143000      ?             ?      
1 1 1 38 13 0  o -0.6608000     1.417000      99.15179      0.0    
1 1 1 38 13 1  o -0.1522000     0.9727000     134.6599      -119.3 
1 1 1 38 13 2  o -0.5624000     0.9514000     40.94056      -12.3  
1 1 1 38 13 3  o -0.3615000     0.9503000     131.4769      87.8   
1 1 1 38 13 4  o -0.4675000     0.9930000     35.45526      -5.2   
1 1 1 38 13 5  o -0.7028000     1.064000      30.79593      -60.9  
1 1 1 38 13 6  o 0.7504000E-01  1.026000      50.73026      148.6  
1 1 1 38 13 7  o 0.2772000      0.9824000     33.65588      16.5   
1 1 1 38 13 8  o -1.259000      1.013000      75.94908      -153.2 
1 1 1 38 13 9  o -0.4179000     1.027000      113.7533      83.0   
1 1 1 38 13 10 f -0.9563000     1.058000      66.78619      162.7  
1 1 1 38 13 11 o -0.9379000     1.063000      7.487958      47.9   
1 1 1 38 13 12 o 0.8073000E-01  1.069000      105.9137      -148.3 
1 1 1 38 13 13 o -0.7694000     1.144000      59.07050      -123.7 
1 1 1 38 13 14 o -0.3233000     1.145000      29.83194      -29.3  
1 1 1 38 13 15 o -0.2754000     1.162000      29.12487      47.6   
1 1 1 38 13 16 o -0.4154000     1.173000      45.36253      -55.0  
1 1 1 38 13 17 o 0.3073000      1.140000      37.64438      30.2   
1 1 1 38 13 18 o 0.2928000      1.130000      25.46652      89.9   
1 1 1 38 13 19 o -0.1992000     1.313000      44.93407      131.5  
1 1 1 38 13 20 o 1.576000       1.350000      44.36306      24.2   
1 1 1 38 13 21 o 1.079000       1.333000      29.18453      35.4   
1 1 1 38 13 22 o 1.158000       1.043000      63.15953      68.4   
1 1 1 38 13 23 o -1.836000      1.053000      24.31493      43.6   
1 1 1 38 13 24 o 0.2551000      1.051000      34.46869      44.9   
1 1 1 38 13 25 o -1.118000      1.036000      29.73365      93.0   
1 1 1 38 13 26 o 0.3676000      1.077000      55.98830      -55.2  
1 1 1 38 13 27 o 0.8102000      1.243000      37.27691      35.7   
1 1 1 38 13 28 o 0.2974000      1.256000      67.62051      150.5  
1 1 1 38 13 29 o -0.5435000     1.367000      76.23244      77.2   
1 1 1 38 13 30 o 0.1791000      1.114000      ?             ?      
1 1 1 38 13 31 o -0.4191000E-01 1.016000      ?             ?      
1 1 1 38 13 32 o -1.416000      1.017000      ?             ?      
1 1 1 38 13 33 o -0.4045000     1.007000      ?             ?      
1 1 1 38 13 34 o -0.6985000     1.009000      ?             ?      
1 1 1 38 13 35 o -2.709000      1.206000      ?             ?      
1 1 1 38 13 36 o -0.1533000     1.230000      ?             ?      
1 1 1 38 13 37 o 0.2452000      1.275000      ?             ?      
1 1 1 38 13 38 o -0.3159000     1.046000      ?             ?      
1 1 1 38 13 39 o -0.7785000     1.035000      ?             ?      
1 1 1 38 13 40 o 0.1835000      0.9725000     ?             ?      
1 1 1 38 13 41 o -0.3020000E-01 1.022000      ?             ?      
1 1 1 38 13 42 o 0.5537000      1.043000      ?             ?      
1 1 1 38 13 43 o -0.7113000     1.080000      ?             ?      
1 1 1 38 13 44 o -0.5603000     1.072000      ?             ?      
1 1 1 38 13 45 o -0.3305000     1.029000      ?             ?      
1 1 1 38 13 46 o -0.1214000     0.9856000     ?             ?      
1 1 1 38 13 47 o 0.3929000      1.022000      ?             ?      
1 1 1 38 13 48 o -0.2355000     1.026000      ?             ?      
1 1 1 38 13 49 o -0.9026000E-01 1.175000      ?             ?      
1 1 1 38 13 50 o -0.2714000E-01 1.319000      ?             ?      
1 1 1 38 13 51 o 0.6348000      1.207000      ?             ?      
1 1 1 38 13 52 o -0.1681000     1.169000      ?             ?      
1 1 1 38 13 53 o 0.1387000      1.127000      ?             ?      
1 1 1 38 13 54 o -0.3162000     1.169000      ?             ?      
1 1 1 38 14 0  o -1.610000      1.328000      140.3747      0.0    
1 1 1 38 14 1  o 0.4498000      0.9980000     2.123620      114.3  
1 1 1 38 14 2  o -0.8754000     1.150000      63.18937      -21.3  
1 1 1 38 14 3  o -2.580000      1.054000      67.79090      108.2  
1 1 1 38 14 4  o -0.7110000     0.9136000     60.02860      112.3  
1 1 1 38 14 5  o -1.221000      0.9150000     57.14241      24.8   
1 1 1 38 14 6  o 0.6832000      0.9605000     27.84243      17.9   
1 1 1 38 14 7  o -1.735000      0.9806000     29.27765      -61.2  
1 1 1 38 14 8  o -0.1537000     1.014000      37.55618      -170.8 
1 1 1 38 14 9  o -0.8582000     1.091000      163.3697      -81.5  
1 1 1 38 14 10 o 2.115000       1.060000      108.8625      -112.8 
1 1 1 38 14 11 o -0.2755000     1.064000      114.2609      2.3    
1 1 1 38 14 12 o 1.741000       1.061000      121.0135      68.2   
1 1 1 38 14 13 o 1.948000       1.096000      86.76508      -38.1  
1 1 1 38 14 14 o 0.9216000      1.202000      40.18554      -149.6 
1 1 1 38 14 15 o -2.681000      1.179000      114.5473      114.8  
1 1 1 38 14 16 o -0.2961000     1.149000      106.1019      88.3   
1 1 1 38 14 17 o -1.178000      1.308000      27.40113      -95.9  
1 1 1 38 14 18 o 0.9779000      1.304000      70.28732      -108.3 
1 1 1 38 14 19 o 0.4472000      1.116000      26.81903      -142.7 
1 1 1 38 14 20 o 0.6025000      1.127000      83.29010      89.5   
1 1 1 38 14 21 o -0.7317000     1.165000      11.79626      103.4  
1 1 1 38 14 22 o -0.3279000     1.053000      93.58630      167.5  
1 1 1 38 14 23 o 0.4167000      1.053000      21.09686      154.3  
1 1 1 38 14 24 o 0.6251000      1.056000      54.10395      -133.1 
1 1 1 38 14 25 o -0.9024000     1.049000      53.90342      66.6   
1 1 1 38 14 26 o -0.1675000     1.084000      43.84245      87.8   
1 1 1 38 14 27 o -1.032000      1.244000      46.64003      -51.3  
1 1 1 38 14 28 o 0.9637000      1.367000      8.617584      161.7  
1 1 1 38 14 29 o -0.5163000     1.156000      ?             ?      
1 1 1 38 14 30 o 0.2919000      1.097000      ?             ?      
1 1 1 38 14 31 o -1.020000      1.051000      ?             ?      
1 1 1 38 14 32 o 0.5037000      1.037000      ?             ?      
1 1 1 38 14 33 o -0.1207000     1.031000      ?             ?      
1 1 1 38 14 34 o 0.9671000      1.029000      ?             ?      
1 1 1 38 14 35 o 0.1151000      1.229000      ?             ?      
1 1 1 38 14 36 o -2.583000      1.205000      ?             ?      
1 1 1 38 14 37 o -0.8511000     1.267000      ?             ?      
1 1 1 38 14 38 o 0.2949000      1.054000      ?             ?      
1 1 1 38 14 39 o -0.3733000     1.033000      ?             ?      
1 1 1 38 14 40 o -0.1852000     0.9960000     ?             ?      
1 1 1 38 14 41 o -0.9719000E-01 1.011000      ?             ?      
1 1 1 38 14 42 o -0.4371000     1.032000      ?             ?      
1 1 1 38 14 43 o 0.3522000      1.081000      ?             ?      
1 1 1 38 14 44 o -2.267000      1.055000      ?             ?      
1 1 1 38 14 45 o -1.257000      1.064000      ?             ?      
1 1 1 38 14 46 o 0.4228000      0.9953000     ?             ?      
1 1 1 38 14 47 o -0.7437000     1.013000      ?             ?      
1 1 1 38 14 48 o -0.2444000     1.115000      ?             ?      
1 1 1 38 14 49 o -0.5335000     1.175000      ?             ?      
1 1 1 38 14 50 o 1.910000       1.191000      ?             ?      
1 1 1 38 14 51 o 2.958000       1.208000      ?             ?      
1 1 1 38 14 52 o 0.5277000      1.113000      ?             ?      
1 1 1 38 14 53 o -0.6171000     1.125000      ?             ?      
1 1 1 38 14 54 o 2.546000       2.195000      ?             ?      
1 1 1 38 15 0  o 2.292000       1.562000      37.05649      -180.0 
1 1 1 38 15 1  o -2.230000      1.074000      89.18116      43.1   
1 1 1 38 15 2  o -0.5607000     0.9633000     114.5914      53.2   
1 1 1 38 15 3  o -1.597000      0.9293000     72.39180      59.9   
1 1 1 38 15 4  f 0.4925000      0.9550000     44.24611      177.5  
1 1 1 38 15 5  o -2.375000      1.051000      83.71789      154.0  
1 1 1 38 15 6  o -2.629000      0.9819000     114.5436      -163.8 
1 1 1 38 15 7  o -1.474000      0.9988000     36.42019      -14.3  
1 1 1 38 15 8  o -0.7885000     1.019000      156.0881      11.9   
1 1 1 38 15 9  o 1.450000       1.050000      166.7396      59.8   
1 1 1 38 15 10 o -0.1991000E-01 1.066000      66.17749      132.1  
1 1 1 38 15 11 o -1.621000      1.079000      45.56231      -149.5 
1 1 1 38 15 12 o 1.068000       1.095000      88.88797      133.8  
1 1 1 38 15 13 o -1.071000      1.062000      48.95510      55.3   
1 1 1 38 15 14 o -0.9832000     1.299000      84.16988      15.5   
1 1 1 38 15 15 o -2.890000      1.290000      76.05619      143.0  
1 1 1 38 15 16 o -0.9763000E-01 1.138000      48.02721      103.5  
1 1 1 38 15 17 o 0.3047000      1.140000      29.60657      -0.8   
1 1 1 38 15 18 o -0.7471000     1.118000      62.58971      73.6   
1 1 1 38 15 19 o 0.1618000      1.115000      93.31534      170.4  
1 1 1 38 15 20 o 1.473000       1.128000      12.23365      -71.4  
1 1 1 38 15 21 o 0.9664000      1.140000      112.4195      116.6  
1 1 1 38 15 22 o 0.6409000      1.180000      73.66728      9.0    
1 1 1 38 15 23 o -0.3925000     1.059000      61.78823      -167.8 
1 1 1 38 15 24 o -0.8696000E-01 1.060000      68.71709      118.5  
1 1 1 38 15 25 o -1.612000      1.089000      27.66098      -139.6 
1 1 1 38 15 26 o 0.4513000      1.239000      37.48478      55.1   
1 1 1 38 15 27 o -0.1550000     1.356000      81.91161      98.1   
1 1 1 38 15 28 o 1.567000       1.379000      ?             ?      
1 1 1 38 15 29 o 0.1217000      1.127000      ?             ?      
1 1 1 38 15 30 o 0.6299000      1.062000      ?             ?      
1 1 1 38 15 31 o 0.4504000E-01  1.034000      ?             ?      
1 1 1 38 15 32 o -0.4031000     1.026000      ?             ?      
1 1 1 38 15 33 o -0.4658000     1.032000      ?             ?      
1 1 1 38 15 34 o 0.2144000      1.029000      ?             ?      
1 1 1 38 15 35 o -0.5908000E-01 1.225000      ?             ?      
1 1 1 38 15 36 o -0.8347000     1.212000      ?             ?      
1 1 1 38 15 37 o 2.129000       1.943000      ?             ?      
1 1 1 38 15 38 o 0.4158000      1.056000      ?             ?      
1 1 1 38 15 39 o -0.2005000     1.056000      ?             ?      
1 1 1 38 15 40 o 2.878000       1.006000      ?             ?      
1 1 1 38 15 41 o 1.014000       0.9774000     ?             ?      
1 1 1 38 15 42 o 0.3573000      1.008000      ?             ?      
1 1 1 38 15 43 o -0.3855000     1.017000      ?             ?      
1 1 1 38 15 44 o 1.464000       1.061000      ?             ?      
1 1 1 38 15 45 o 0.4881000      1.062000      ?             ?      
1 1 1 38 15 46 o -0.5795000     1.047000      ?             ?      
1 1 1 38 15 47 o -0.9339000E-01 1.006000      ?             ?      
1 1 1 38 15 48 o -0.8887000     1.164000      ?             ?      
1 1 1 38 15 49 o 0.1736000      1.172000      ?             ?      
1 1 1 38 15 50 o 0.3369000      1.133000      ?             ?      
1 1 1 38 15 51 o 1.039000       1.121000      ?             ?      
1 1 1 38 15 52 o 0.7918000      1.084000      ?             ?      
1 1 1 38 15 53 o -1.328000      1.113000      ?             ?      
1 1 1 38 16 0  o 0.9892000      1.306000      78.19788      -180.0 
1 1 1 38 16 1  o 1.582000       0.9129000     41.59454      -39.6  
1 1 1 38 16 2  o -1.837000      1.028000      88.35671      163.8  
1 1 1 38 16 3  o -0.2957000     1.115000      140.0843      -125.6 
1 1 1 38 16 4  o -0.1910000     1.011000      123.7893      -96.9  
1 1 1 38 16 5  o 0.3851000      1.023000      145.7448      -45.5  
1 1 1 38 16 6  o 1.175000       1.007000      35.51270      120.3  
1 1 1 38 16 7  o -2.139000      1.057000      93.19274      127.3  
1 1 1 38 16 8  o 1.027000       1.070000      105.8499      -62.6  
1 1 1 38 16 9  o 1.498000       1.095000      153.8511      -30.7  
1 1 1 38 16 10 o -1.037000      1.101000      102.0484      146.8  
1 1 1 38 16 11 o 1.123000       1.079000      75.88567      110.5  
1 1 1 38 16 12 o -0.8855000     1.153000      80.77331      -38.1  
1 1 1 38 16 13 o 0.2385000      1.081000      112.3165      -72.1  
1 1 1 38 16 14 o 1.325000       1.156000      102.9038      145.1  
1 1 1 38 16 15 o -0.8636000     1.143000      137.7397      105.2  
1 1 1 38 16 16 o -0.2168000E-01 1.156000      16.73074      -50.6  
1 1 1 38 16 17 o 1.555000       1.124000      127.1954      -151.0 
1 1 1 38 16 18 o 1.139000       1.131000      75.18220      -94.5  
1 1 1 38 16 19 o 0.1937000      1.134000      61.93333      -146.3 
1 1 1 38 16 20 o 1.848000       1.134000      105.8100      76.7   
1 1 1 38 16 21 o -1.966000      1.129000      16.74040      -151.0 
1 1 1 38 16 22 o 0.6936000      1.148000      164.9508      -134.7 
1 1 1 38 16 23 o -0.8722000     1.185000      77.54113      -68.5  
1 1 1 38 16 24 o 0.2299000      1.102000      150.4696      -138.7 
1 1 1 38 16 25 o -1.143000      1.145000      60.46437      129.8  
1 1 1 38 16 26 o 0.2531000      1.266000      46.47702      162.5  
1 1 1 38 16 27 o -0.4896000E-01 1.322000      125.1456      -2.9   
1 1 1 38 16 28 f 0.4235000      1.152000      ?             ?      
1 1 1 38 16 29 o -0.2906000E-01 1.108000      ?             ?      
1 1 1 38 16 30 o 0.8457000      1.036000      ?             ?      
1 1 1 38 16 31 o 0.9640000E-01  1.016000      ?             ?      
1 1 1 38 16 32 o -0.8613000     1.016000      ?             ?      
1 1 1 38 16 33 o -1.158000      1.018000      ?             ?      
1 1 1 38 16 34 o 0.7916000      1.025000      ?             ?      
1 1 1 38 16 35 f 0.1084000      1.230000      ?             ?      
1 1 1 38 16 36 o 0.7144000      1.227000      ?             ?      
1 1 1 38 16 37 o 0.1742000      1.213000      ?             ?      
1 1 1 38 16 38 o 0.4587000      1.074000      ?             ?      
1 1 1 38 16 39 o 1.002000       1.069000      ?             ?      
1 1 1 38 16 40 o 1.232000       1.045000      ?             ?      
1 1 1 38 16 41 o 0.1298000E-01  0.9777000     ?             ?      
1 1 1 38 16 42 o 0.4273000      1.029000      ?             ?      
1 1 1 38 16 43 o 0.8902000      1.024000      ?             ?      
1 1 1 38 16 44 o -1.447000      1.058000      ?             ?      
1 1 1 38 16 45 o 1.185000       1.064000      ?             ?      
1 1 1 38 16 46 o -0.1196000E-02 1.083000      ?             ?      
1 1 1 38 16 47 o 0.8755000      1.008000      ?             ?      
1 1 1 38 16 48 o 0.6081000      1.145000      ?             ?      
1 1 1 38 16 49 o 0.7445000      1.169000      ?             ?      
1 1 1 38 16 50 o 1.441000       1.146000      ?             ?      
1 1 1 38 16 51 o -0.5016000     1.057000      ?             ?      
1 1 1 38 16 52 o -2.018000      1.071000      ?             ?      
1 1 1 38 16 53 o 0.1666000      1.124000      ?             ?      
1 1 1 38 17 0  o 0.5598000      1.320000      41.79829      180.0  
1 1 1 38 17 1  o 1.996000       0.9377000     164.7081      -101.6 
1 1 1 38 17 2  o -0.6441000     0.9332000     101.5423      36.9   
1 1 1 38 17 3  o 1.820000       0.9461000     135.8340      -70.1  
1 1 1 38 17 4  o 2.486000       0.9920000     232.8966      -21.4  
1 1 1 38 17 5  o 1.743000       1.053000      72.97172      -75.3  
1 1 1 38 17 6  o 1.456000       1.199000      192.5091      137.6  
1 1 1 38 17 7  o 2.251000       1.163000      83.52512      92.3   
1 1 1 38 17 8  o -0.7490000     1.037000      110.9247      2.1    
1 1 1 38 17 9  o -2.298000      1.135000      75.16626      44.5   
1 1 1 38 17 10 o 1.073000       1.179000      30.29653      3.3    
1 1 1 38 17 11 o -2.158000      1.079000      66.36494      44.1   
1 1 1 38 17 12 o 0.6885000      1.077000      133.4637      25.2   
1 1 1 38 17 13 o 1.789000       1.078000      76.71220      -58.5  
1 1 1 38 17 14 o 1.975000       1.145000      42.33556      20.4   
1 1 1 38 17 15 o 2.221000       1.149000      85.11081      -158.4 
1 1 1 38 17 16 o 1.211000       1.158000      110.9590      -175.2 
1 1 1 38 17 17 o -0.4507000     1.150000      30.87724      24.4   
1 1 1 38 17 18 o 0.2363000      1.140000      72.20812      -168.5 
1 1 1 38 17 19 o 1.608000       1.137000      134.9068      175.0  
1 1 1 38 17 20 o -0.7288000     1.125000      66.34606      -11.1  
1 1 1 38 17 21 o 0.6539000      1.131000      96.64439      108.4  
1 1 1 38 17 22 o 0.8813000      1.151000      70.30137      -18.6  
1 1 1 38 17 23 o -1.576000      1.290000      29.35574      64.6   
1 1 1 38 17 24 o 2.282000       1.144000      66.55916      57.3   
1 1 1 38 17 25 o 1.126000       1.273000      158.9546      -112.2 
1 1 1 38 17 26 o 2.395000       1.353000      104.5534      80.0   
1 1 1 38 17 27 o 2.270000       1.351000      ?             ?      
1 1 1 38 17 28 o 0.5124000      1.114000      ?             ?      
1 1 1 38 17 29 o 1.477000       1.060000      ?             ?      
1 1 1 38 17 30 o 0.5034000E-01  1.030000      ?             ?      
1 1 1 38 17 31 o -0.2308000     1.013000      ?             ?      
1 1 1 38 17 32 o 0.8225000      1.003000      ?             ?      
1 1 1 38 17 33 o 0.6559000      1.011000      ?             ?      
1 1 1 38 17 34 f -0.7730000     1.004000      ?             ?      
1 1 1 38 17 35 o 0.5115000      1.025000      ?             ?      
1 1 1 38 17 36 o -1.200000      1.218000      ?             ?      
1 1 1 38 17 37 o 0.2455000      1.199000      ?             ?      
1 1 1 38 17 38 o 2.156000       1.285000      ?             ?      
1 1 1 38 17 39 o -1.465000      1.061000      ?             ?      
1 1 1 38 17 40 o 0.4503000      1.049000      ?             ?      
1 1 1 38 17 41 o 0.7064000      0.9885000     ?             ?      
1 1 1 38 17 42 o -0.1034000     0.9907000     ?             ?      
1 1 1 38 17 43 o 0.2089000      1.041000      ?             ?      
1 1 1 38 17 44 o -0.4062000     1.028000      ?             ?      
1 1 1 38 17 45 o -0.3758000     1.069000      ?             ?      
1 1 1 38 17 46 o -0.3263000     1.067000      ?             ?      
1 1 1 38 17 47 o -0.7610000     1.201000      ?             ?      
1 1 1 38 17 48 o 0.1762000      1.154000      ?             ?      
1 1 1 38 17 49 o -1.257000      1.543000      ?             ?      
1 1 1 38 17 50 o 1.395000       1.137000      ?             ?      
1 1 1 38 17 51 o 0.2738000      1.059000      ?             ?      
1 1 1 38 17 52 o -0.2691000     1.066000      ?             ?      
1 1 1 38 17 53 o -1.102000      2.183000      ?             ?      
1 1 1 38 18 0  o 0.6497000      1.336000      114.3256      180.0  
1 1 1 38 18 1  o 0.5402000      0.9458000     168.5103      -61.0  
1 1 1 38 18 2  o 1.484000       0.9977000     87.36853      -132.9 
1 1 1 38 18 3  o 1.447000       0.9863000     227.9059      68.7   
1 1 1 38 18 4  o 1.202000       1.170000      157.2993      -16.5  
1 1 1 38 18 5  o 0.4135000      1.069000      98.76202      -129.2 
1 1 1 38 18 6  o 0.9867000      1.075000      147.3486      174.6  
1 1 1 38 18 7  o 0.1995000E-01  1.082000      47.59502      -61.1  
1 1 1 38 18 8  o 0.2705000      1.057000      124.2845      -1.6   
1 1 1 38 18 9  o 3.103000       1.181000      195.6779      51.2   
1 1 1 38 18 10 o 3.455000       1.199000      182.0018      157.9  
1 1 1 38 18 11 o -0.8903000     1.070000      95.09335      27.8   
1 1 1 38 18 12 o 0.9329000      1.108000      128.8714      -31.0  
1 1 1 38 18 13 o -0.7853000     1.090000      34.42591      142.1  
1 1 1 38 18 14 o 1.250000       1.054000      82.71792      61.5   
1 1 1 38 18 15 o -0.4296000     1.160000      37.52589      179.8  
1 1 1 38 18 16 o 2.639000       1.167000      136.8370      -106.8 
1 1 1 38 18 17 o 2.925000       1.187000      145.3577      -51.6  
1 1 1 38 18 18 o 2.022000       1.156000      146.3599      -85.0  
1 1 1 38 18 19 o -1.433000      1.140000      38.33398      -89.9  
1 1 1 38 18 20 o 0.3334000      1.128000      65.69202      -116.9 
1 1 1 38 18 21 o 0.6889000      1.141000      49.31367      -54.1  
1 1 1 38 18 22 o 1.033000       1.160000      124.5141      -176.1 
1 1 1 38 18 23 o 0.2510000      1.238000      48.47618      -117.5 
1 1 1 38 18 24 o 0.8906000      1.365000      77.77296      -164.1 
1 1 1 38 18 25 o -2.248000      1.368000      15.74697      -152.0 
1 1 1 38 18 26 o 0.2213000      1.276000      ?             ?      
1 1 1 38 18 27 o -2.875000      1.265000      ?             ?      
1 1 1 38 18 28 o 0.2611000E-01  1.074000      ?             ?      
1 1 1 38 18 29 o -0.6596000E-01 1.024000      ?             ?      
1 1 1 38 18 30 f 3.058000       1.040000      ?             ?      
1 1 1 38 18 31 o -0.6293000     1.014000      ?             ?      
1 1 1 38 18 32 o -1.431000      1.006000      ?             ?      
1 1 1 38 18 33 o 2.284000       1.015000      ?             ?      
1 1 1 38 18 34 o 1.254000       0.9931000     ?             ?      
1 1 1 38 18 35 o 0.3262000      0.9978000     ?             ?      
1 1 1 38 18 36 o 1.337000       1.195000      ?             ?      
1 1 1 38 18 37 o 0.7567000      1.200000      ?             ?      
1 1 1 38 18 38 o 1.943000       1.291000      ?             ?      
1 1 1 38 18 39 o -0.1504000     1.044000      ?             ?      
1 1 1 38 18 40 o 0.7345000      1.034000      ?             ?      
1 1 1 38 18 41 o -0.7755000     0.9744000     ?             ?      
1 1 1 38 18 42 o 0.9090000      0.9753000     ?             ?      
1 1 1 38 18 43 o 1.271000       1.044000      ?             ?      
1 1 1 38 18 44 o 0.5088000      1.054000      ?             ?      
1 1 1 38 18 45 o 0.9628000      1.086000      ?             ?      
1 1 1 38 18 46 o -0.2903000     1.070000      ?             ?      
1 1 1 38 18 47 o -0.1041000     1.255000      ?             ?      
1 1 1 38 18 48 o -0.7908000     1.282000      ?             ?      
1 1 1 38 18 49 o 0.4197000      1.109000      ?             ?      
1 1 1 38 18 50 o -0.3793000     1.042000      ?             ?      
1 1 1 38 18 51 o -0.3591000     1.054000      ?             ?      
1 1 1 38 18 52 o 0.5830000      1.097000      ?             ?      
1 1 1 38 19 0  o 3.717000       1.462000      130.2902      0.0    
1 1 1 38 19 1  o 4.040000       1.076000      281.9839      -120.1 
1 1 1 38 19 2  o 1.207000       1.041000      172.4028      86.1   
1 1 1 38 19 3  o 0.5770000      0.9779000     123.6506      -87.9  
1 1 1 38 19 4  o 0.7871000      1.101000      158.2427      -21.5  
1 1 1 38 19 5  o 4.985000       1.072000      258.4194      -136.8 
1 1 1 38 19 6  o -0.5970000     1.025000      125.5124      -163.5 
1 1 1 38 19 7  o 0.1949000      1.020000      100.5175      148.7  
1 1 1 38 19 8  o 1.470000       1.048000      146.4347      -12.9  
1 1 1 38 19 9  o -0.6321000     1.047000      73.90557      147.9  
1 1 1 38 19 10 o 2.472000       1.056000      81.55029      130.1  
1 1 1 38 19 11 o 0.5683000      1.082000      73.22601      -69.8  
1 1 1 38 19 12 o 3.328000       1.211000      189.2269      47.4   
1 1 1 38 19 13 o 0.8773000      1.186000      60.58550      -146.3 
1 1 1 38 19 14 o 0.7616000      1.090000      20.41976      -155.5 
1 1 1 38 19 15 o 1.821000       1.200000      120.6750      -129.4 
1 1 1 38 19 16 o 0.5284000      1.211000      76.92269      -4.3   
1 1 1 38 19 17 o 0.2474000      1.181000      47.33633      2.4    
1 1 1 38 19 18 o -0.1348000     1.160000      71.47089      128.4  
1 1 1 38 19 19 o 0.3302000      1.151000      142.3125      -24.7  
1 1 1 38 19 20 o 2.137000       1.157000      12.44260      -114.2 
1 1 1 38 19 21 o -1.224000      1.150000      94.87798      -109.5 
1 1 1 38 19 22 o 0.6855000      1.236000      13.06048      -64.4  
1 1 1 38 19 23 o 2.321000       1.374000      34.34932      -30.1  
1 1 1 38 19 24 o -1.186000      1.340000      94.99735      -35.8  
1 1 1 38 19 25 o 0.9557000      1.330000      ?             ?      
1 1 1 38 19 26 o -0.3558000     1.290000      ?             ?      
1 1 1 38 19 27 o 1.141000       1.154000      ?             ?      
1 1 1 38 19 28 o 2.069000       1.083000      ?             ?      
1 1 1 38 19 29 o -0.6854000     1.043000      ?             ?      
1 1 1 38 19 30 o 1.822000       1.030000      ?             ?      
1 1 1 38 19 31 o 0.6333000      1.019000      ?             ?      
1 1 1 38 19 32 f 1.044000       1.014000      ?             ?      
1 1 1 38 19 33 o 0.1132000      1.000000      ?             ?      
1 1 1 38 19 34 o 0.3283000      0.9916000     ?             ?      
1 1 1 38 19 35 o 0.8450000      0.9874000     ?             ?      
1 1 1 38 19 36 o -0.5810000     1.179000      ?             ?      
1 1 1 38 19 37 o 2.630000       1.209000      ?             ?      
1 1 1 38 19 38 o -0.5660000     1.243000      ?             ?      
1 1 1 38 19 39 o -0.7339000     1.048000      ?             ?      
1 1 1 38 19 40 o -0.1035000     1.022000      ?             ?      
1 1 1 38 19 41 o 1.222000       0.9800000     ?             ?      
1 1 1 38 19 42 o 0.7508000      0.9782000     ?             ?      
1 1 1 38 19 43 o -0.1619000     0.9812000     ?             ?      
1 1 1 38 19 44 o 0.6570000      1.046000      ?             ?      
1 1 1 38 19 45 o 0.5082000      1.059000      ?             ?      
1 1 1 38 19 46 o -0.5905000     1.417000      ?             ?      
1 1 1 38 19 47 o -0.8261000     1.272000      ?             ?      
1 1 1 38 19 48 o -0.1980000     1.160000      ?             ?      
1 1 1 38 19 49 o 0.4387000      1.067000      ?             ?      
1 1 1 38 19 50 o 0.6377000E-01  1.033000      ?             ?      
1 1 1 38 19 51 o -1.639000      1.045000      ?             ?      
1 1 1 38 19 52 o 0.3061000      1.364000      ?             ?      
1 1 1 38 20 0  o 1.129000       1.338000      74.96037      0.0    
1 1 1 38 20 1  o -0.8830000     1.021000      106.4186      -94.9  
1 1 1 38 20 2  o 0.6165000      1.071000      14.00960      -49.7  
1 1 1 38 20 3  o 3.280000       1.233000      292.4146      33.3   
1 1 1 38 20 4  o 7.041000       1.094000      280.8680      -57.5  
1 1 1 38 20 5  o 0.5368000E-01  1.044000      19.66109      178.5  
1 1 1 38 20 6  o 1.961000       1.031000      70.98875      -54.0  
1 1 1 38 20 7  o 4.865000       1.048000      205.1427      72.4   
1 1 1 38 20 8  o 1.428000       1.047000      125.0331      -125.1 
1 1 1 38 20 9  o 1.970000       1.045000      98.05682      34.4   
1 1 1 38 20 10 o -0.5677000     1.031000      11.15346      -63.5  
1 1 1 38 20 11 o 0.6239000E-01  1.053000      101.5860      83.8   
1 1 1 38 20 12 o 0.4062000      1.057000      100.3941      -103.0 
1 1 1 38 20 13 o 2.753000       1.096000      86.15811      177.6  
1 1 1 38 20 14 o 3.070000       1.211000      162.9490      -44.6  
1 1 1 38 20 15 o 0.9002000      1.356000      106.2712      -7.7   
1 1 1 38 20 16 o 2.474000       1.384000      134.7815      -67.4  
1 1 1 38 20 17 o 1.267000       1.177000      124.6169      51.8   
1 1 1 38 20 18 o -1.469000      1.224000      79.20937      -49.6  
1 1 1 38 20 19 o 0.3307000      1.230000      102.8814      -16.9  
1 1 1 38 20 20 o -0.9528000     1.177000      72.12870      -9.1   
1 1 1 38 20 21 o 0.5574000      1.176000      77.51345      81.9   
1 1 1 38 20 22 o 0.9250000      1.283000      86.08816      84.9   
1 1 1 38 20 23 o 2.947000       1.384000      166.2857      -125.0 
1 1 1 38 20 24 o 0.6463000      1.417000      ?             ?      
1 1 1 38 20 25 o 1.262000       1.290000      ?             ?      
1 1 1 38 20 26 o -0.6885000     1.419000      ?             ?      
1 1 1 38 20 27 o -0.4362000     1.074000      ?             ?      
1 1 1 38 20 28 o -0.5577000     1.045000      ?             ?      
1 1 1 38 20 29 o -1.580000      1.031000      ?             ?      
1 1 1 38 20 30 o 0.2037000      1.018000      ?             ?      
1 1 1 38 20 31 o 1.549000       1.013000      ?             ?      
1 1 1 38 20 32 o 1.032000       1.011000      ?             ?      
1 1 1 38 20 33 o 0.8512000      0.9927000     ?             ?      
1 1 1 38 20 34 o -0.4058000     0.9780000     ?             ?      
1 1 1 38 20 35 o -0.6103000     0.9746000     ?             ?      
1 1 1 38 20 36 o 0.3633000      1.162000      ?             ?      
1 1 1 38 20 37 o 1.302000       1.192000      ?             ?      
1 1 1 38 20 38 o 1.389000       1.164000      ?             ?      
1 1 1 38 20 39 o -0.5278000     1.038000      ?             ?      
1 1 1 38 20 40 o -0.7235000     1.042000      ?             ?      
1 1 1 38 20 41 o 0.7280000      1.044000      ?             ?      
1 1 1 38 20 42 o -0.1497000     0.9786000     ?             ?      
1 1 1 38 20 43 o 0.4184000      0.9881000     ?             ?      
1 1 1 38 20 44 o 0.2142000      1.048000      ?             ?      
1 1 1 38 20 45 o 0.5864000E-02  1.053000      ?             ?      
1 1 1 38 20 46 o -1.030000      1.345000      ?             ?      
1 1 1 38 20 47 o 0.7408000      1.411000      ?             ?      
1 1 1 38 20 48 o -0.7922000     1.203000      ?             ?      
1 1 1 38 20 49 o 1.256000       1.036000      ?             ?      
1 1 1 38 20 50 o 0.8563000      1.033000      ?             ?      
1 1 1 38 20 51 o -0.9517000     1.082000      ?             ?      
1 1 1 38 21 0  o -0.6963000     1.350000      108.5228      0.0    
1 1 1 38 21 1  o 1.413000       0.9546000     165.2260      -151.6 
1 1 1 38 21 2  o 3.593000       0.9665000     214.5322      69.0   
1 1 1 38 21 3  o 0.8693000      1.120000      45.32255      165.7  
1 1 1 38 21 4  o 2.343000       1.512000      28.75352      -44.5  
1 1 1 38 21 5  o 2.087000       1.368000      235.3260      -147.6 
1 1 1 38 21 6  o -0.2104000     1.118000      39.69912      -140.1 
1 1 1 38 21 7  o 1.350000       1.036000      112.6635      -9.6   
1 1 1 38 21 8  o -0.4324000E-01 1.040000      129.5581      136.4  
1 1 1 38 21 9  o 1.177000       1.043000      94.10459      -161.5 
1 1 1 38 21 10 o -0.8776000E-01 1.048000      70.45918      -173.4 
1 1 1 38 21 11 o 1.330000       1.065000      134.8102      26.6   
1 1 1 38 21 12 o -0.4982000     1.050000      47.50578      34.7   
1 1 1 38 21 13 o 0.1291000E-01  1.067000      61.44947      -3.6   
1 1 1 38 21 14 o 0.8309000E-01  1.066000      39.95557      -15.4  
1 1 1 38 21 15 o -0.6635000     1.151000      21.16070      21.8   
1 1 1 38 21 16 o 2.415000       1.179000      89.59730      142.0  
1 1 1 38 21 17 o 3.386000       1.407000      172.3592      167.8  
1 1 1 38 21 18 o -1.220000      1.379000      91.32149      110.0  
1 1 1 38 21 19 o 0.8691000      1.223000      182.6317      -12.9  
1 1 1 38 21 20 o 1.254000       1.213000      174.3204      165.5  
1 1 1 38 21 21 o -2.276000      1.335000      79.35433      -68.6  
1 1 1 38 21 22 o 1.433000       1.488000      88.07020      -64.9  
1 1 1 38 21 23 o 1.125000       1.404000      ?             ?      
1 1 1 38 21 24 o 1.849000       1.300000      ?             ?      
1 1 1 38 21 25 o 4.216000       1.253000      ?             ?      
1 1 1 38 21 26 o 0.8804000      1.238000      ?             ?      
1 1 1 38 21 27 o 0.6646000      1.246000      ?             ?      
1 1 1 38 21 28 o 0.8863000      1.009000      ?             ?      
1 1 1 38 21 29 o -0.7214000     1.016000      ?             ?      
1 1 1 38 21 30 o -0.1387000     1.012000      ?             ?      
1 1 1 38 21 31 o -2.107000      1.007000      ?             ?      
1 1 1 38 21 32 o 1.211000       0.9973000     ?             ?      
1 1 1 38 21 33 o -0.2495000     0.9847000     ?             ?      
1 1 1 38 21 34 o 0.2263000      0.9798000     ?             ?      
1 1 1 38 21 35 o 0.8656000E-01  0.9694000     ?             ?      
1 1 1 38 21 36 o 1.079000       1.163000      ?             ?      
1 1 1 38 21 37 o 1.323000       1.160000      ?             ?      
1 1 1 38 21 38 o -0.5780000     1.152000      ?             ?      
1 1 1 38 21 39 o 0.1494000      1.205000      ?             ?      
1 1 1 38 21 40 o -0.1805000     1.034000      ?             ?      
1 1 1 38 21 41 o -0.2820000E-01 1.051000      ?             ?      
1 1 1 38 21 42 o -0.6315000E-01 0.9882000     ?             ?      
1 1 1 38 21 43 o -0.4078000     0.9842000     ?             ?      
1 1 1 38 21 44 o 1.170000       1.000000      ?             ?      
1 1 1 38 21 45 o 0.3214000E-01  1.244000      ?             ?      
1 1 1 38 21 46 o -0.1339000     1.270000      ?             ?      
1 1 1 38 21 47 o -0.4616000     1.350000      ?             ?      
1 1 1 38 21 48 o -0.6702000     1.193000      ?             ?      
1 1 1 38 21 49 o -0.5109000     1.095000      ?             ?      
1 1 1 38 21 50 o 0.6467000      1.045000      ?             ?      
1 1 1 38 21 51 o -0.5693000     1.347000      ?             ?      
1 1 1 38 22 0  o 0.4559000      1.370000      60.84288      0.0    
1 1 1 38 22 1  o 1.584000       0.9685000     46.37858      -113.4 
1 1 1 38 22 2  o 3.448000       0.9924000     263.7345      -2.6   
1 1 1 38 22 3  o -0.6786000     1.081000      21.46955      -16.5  
1 1 1 38 22 4  o 3.199000       1.123000      174.1007      -100.7 
1 1 1 38 22 5  o -0.1428000     1.084000      97.94447      57.5   
1 1 1 38 22 6  o 1.551000       1.063000      152.3071      -49.8  
1 1 1 38 22 7  o 0.3211000      1.183000      68.65353      59.7   
1 1 1 38 22 8  o 0.3293000      1.351000      32.08591      -125.2 
1 1 1 38 22 9  o 2.263000       1.203000      136.6214      87.5   
1 1 1 38 22 10 o -0.2533000     1.082000      112.2530      92.3   
1 1 1 38 22 11 o 0.9713000      1.051000      136.1689      136.3  
1 1 1 38 22 12 o 2.159000       1.093000      148.4288      -156.9 
1 1 1 38 22 13 o -0.5800000E-02 1.069000      103.8612      -141.9 
1 1 1 38 22 14 o 3.356000       1.096000      102.9509      -8.9   
1 1 1 38 22 15 o -0.6795000     1.162000      70.41500      -21.6  
1 1 1 38 22 16 o 1.943000       1.164000      83.34672      -71.9  
1 1 1 38 22 17 o 0.6894000      1.190000      26.61755      -64.2  
1 1 1 38 22 18 o 3.012000       1.231000      184.0874      -58.3  
1 1 1 38 22 19 o 2.313000       1.218000      49.43639      4.2    
1 1 1 38 22 20 o 0.4655000E-01  1.575000      165.8203      55.9   
1 1 1 38 22 21 o 0.9991000      1.947000      ?             ?      
1 1 1 38 22 22 o 2.817000       1.483000      ?             ?      
1 1 1 38 22 23 o 2.882000       1.337000      ?             ?      
1 1 1 38 22 24 o -0.4410000     1.204000      ?             ?      
1 1 1 38 22 25 o 0.4567000      1.320000      ?             ?      
1 1 1 38 22 26 o -1.865000      1.239000      ?             ?      
1 1 1 38 22 27 o 0.2081000      1.216000      ?             ?      
1 1 1 38 22 28 o 0.9502000      1.188000      ?             ?      
1 1 1 38 22 29 o -1.139000      1.017000      ?             ?      
1 1 1 38 22 30 o -0.7229000     0.9934000     ?             ?      
1 1 1 38 22 31 o 0.9058000      1.007000      ?             ?      
1 1 1 38 22 32 o 0.7297000      1.005000      ?             ?      
1 1 1 38 22 33 o 0.9862000      0.9786000     ?             ?      
1 1 1 38 22 34 o 0.6974000      0.9786000     ?             ?      
1 1 1 38 22 35 o 0.6413000      0.9673000     ?             ?      
1 1 1 38 22 36 o 0.3778000      0.9919000     ?             ?      
1 1 1 38 22 37 o 1.284000       1.138000      ?             ?      
1 1 1 38 22 38 o -0.4064000     1.135000      ?             ?      
1 1 1 38 22 39 o -0.3454000     1.187000      ?             ?      
1 1 1 38 22 40 o 0.2304000E-01  1.045000      ?             ?      
1 1 1 38 22 41 o 0.4069000      1.062000      ?             ?      
1 1 1 38 22 42 o 1.985000       1.001000      ?             ?      
1 1 1 38 22 43 o -1.107000      0.9876000     ?             ?      
1 1 1 38 22 44 o -0.8051000E-01 1.035000      ?             ?      
1 1 1 38 22 45 o -1.704000      1.228000      ?             ?      
1 1 1 38 22 46 o 0.5252000      1.422000      ?             ?      
1 1 1 38 22 47 o -0.7206000     1.260000      ?             ?      
1 1 1 38 22 48 o 0.4805000      1.155000      ?             ?      
1 1 1 38 22 49 o 1.144000       1.174000      ?             ?      
1 1 1 38 22 50 o -0.3463000     1.461000      ?             ?      
1 1 1 38 23 0  o 0.1407000E-01  1.574000      81.34956      180.0  
1 1 1 38 23 1  o 1.769000       0.9765000     135.2160      47.2   
1 1 1 38 23 2  o 1.512000       1.003000      78.89402      -3.9   
1 1 1 38 23 3  o 1.976000       1.075000      124.0768      84.7   
1 1 1 38 23 4  o 0.5210000      1.078000      58.77961      168.5  
1 1 1 38 23 5  o 0.9899000      1.103000      94.90551      -91.0  
1 1 1 38 23 6  o 0.4589000      1.054000      89.86312      131.1  
1 1 1 38 23 7  o 0.4977000      1.095000      28.83335      -54.9  
1 1 1 38 23 8  o 6.284000       1.143000      179.3606      152.0  
1 1 1 38 23 9  o 2.669000       1.220000      60.24970      -141.5 
1 1 1 38 23 10 o 1.634000       1.355000      72.30327      -179.9 
1 1 1 38 23 11 o 0.1315000      1.216000      71.35538      35.2   
1 1 1 38 23 12 o -0.8223000     1.176000      143.0219      -108.0 
1 1 1 38 23 13 o 2.165000       1.083000      144.1953      6.4    
1 1 1 38 23 14 o -1.823000      1.072000      18.41186      -130.6 
1 1 1 38 23 15 o 1.399000       1.079000      84.16463      115.8  
1 1 1 38 23 16 o 0.5734000      1.178000      55.72702      -95.5  
1 1 1 38 23 17 o -1.875000      1.187000      14.70495      -7.9   
1 1 1 38 23 18 o -1.230000      1.207000      72.32731      22.7   
1 1 1 38 23 19 o 2.628000       1.351000      98.58520      77.8   
1 1 1 38 23 20 o 0.3440000      1.532000      ?             ?      
1 1 1 38 23 21 o 2.160000       1.509000      ?             ?      
1 1 1 38 23 22 o 0.5355000      1.474000      ?             ?      
1 1 1 38 23 23 o 0.3542000      1.393000      ?             ?      
1 1 1 38 23 24 o 0.1997000      1.323000      ?             ?      
1 1 1 38 23 25 o 0.9278000      1.268000      ?             ?      
1 1 1 38 23 26 o 0.8319000      1.289000      ?             ?      
1 1 1 38 23 27 o 1.714000       1.166000      ?             ?      
1 1 1 38 23 28 o -0.1441000     1.171000      ?             ?      
1 1 1 38 23 29 o -0.5826000     1.179000      ?             ?      
1 1 1 38 23 30 o -0.3653000E-01 1.018000      ?             ?      
1 1 1 38 23 31 o 1.380000       0.9917000     ?             ?      
1 1 1 38 23 32 o -0.9502000E-01 0.9894000     ?             ?      
1 1 1 38 23 33 o 1.504000       0.9808000     ?             ?      
1 1 1 38 23 34 f -0.5649000     0.9728000     ?             ?      
1 1 1 38 23 35 o 1.966000       0.9799000     ?             ?      
1 1 1 38 23 36 o 0.3602000      0.9822000     ?             ?      
1 1 1 38 23 37 o -1.156000      1.117000      ?             ?      
1 1 1 38 23 38 o 1.684000       1.119000      ?             ?      
1 1 1 38 23 39 o -0.5563000     1.189000      ?             ?      
1 1 1 38 23 40 o 1.330000       1.052000      ?             ?      
1 1 1 38 23 41 o 1.176000       1.067000      ?             ?      
1 1 1 38 23 42 o -0.4200000     0.9993000     ?             ?      
1 1 1 38 23 43 o 0.8006000      1.004000      ?             ?      
1 1 1 38 23 44 o 0.5264000      1.065000      ?             ?      
1 1 1 38 23 45 o 1.767000       1.244000      ?             ?      
1 1 1 38 23 46 o 0.8935000      1.194000      ?             ?      
1 1 1 38 23 47 o -1.076000      1.120000      ?             ?      
1 1 1 38 23 48 o 0.1018000      1.218000      ?             ?      
1 1 1 38 23 49 o 0.9977000      1.171000      ?             ?      
1 1 1 38 23 50 o -4.723000      4.041000      ?             ?      
1 1 1 38 24 0  o 0.2613000      1.421000      210.3907      0.0    
1 1 1 38 24 1  o 1.608000       0.9866000     155.7746      -59.5  
1 1 1 38 24 2  o 1.122000       1.137000      68.98558      39.6   
1 1 1 38 24 3  o 1.338000       1.077000      71.85781      -56.9  
1 1 1 38 24 4  o -0.3983000     1.085000      101.7655      179.6  
1 1 1 38 24 5  o 0.6097000      1.103000      139.7862      -97.1  
1 1 1 38 24 6  o 1.064000       1.135000      153.7439      -7.5   
1 1 1 38 24 7  o 4.267000       1.098000      188.7503      138.2  
1 1 1 38 24 8  o 2.667000       1.108000      204.3407      94.8   
1 1 1 38 24 9  o -0.3041000E-01 1.073000      22.61874      -1.4   
1 1 1 38 24 10 o 1.134000       1.114000      65.09679      -97.2  
1 1 1 38 24 11 o -0.3383000     1.111000      86.18081      -127.5 
1 1 1 38 24 12 o 1.167000       1.222000      134.2781      96.5   
1 1 1 38 24 13 o 2.451000       1.238000      138.8472      -3.5   
1 1 1 38 24 14 o -1.193000      1.189000      67.33984      92.0   
1 1 1 38 24 15 o 0.2006000      1.181000      39.90923      -121.3 
1 1 1 38 24 16 o 0.5404000      1.202000      51.96127      -52.9  
1 1 1 38 24 17 o -0.1183000     1.204000      29.22632      89.4   
1 1 1 38 24 18 o 1.644000       1.213000      ?             ?      
1 1 1 38 24 19 o 3.681000       1.378000      ?             ?      
1 1 1 38 24 20 o -0.6324000     1.510000      ?             ?      
1 1 1 38 24 21 o -1.139000      1.479000      ?             ?      
1 1 1 38 24 22 o 0.6418000      1.339000      ?             ?      
1 1 1 38 24 23 o -0.9880000     1.217000      ?             ?      
1 1 1 38 24 24 o -0.2060000     1.330000      ?             ?      
1 1 1 38 24 25 o -0.6945000E-01 1.263000      ?             ?      
1 1 1 38 24 26 o 0.7706000      1.288000      ?             ?      
1 1 1 38 24 27 o 2.701000       1.242000      ?             ?      
1 1 1 38 24 28 o -0.7798000     1.181000      ?             ?      
1 1 1 38 24 29 o -1.331000      1.196000      ?             ?      
1 1 1 38 24 30 o -0.5381000     1.240000      ?             ?      
1 1 1 38 24 31 o 0.8048000      1.012000      ?             ?      
1 1 1 38 24 32 o 0.8831000E-01  0.9767000     ?             ?      
1 1 1 38 24 33 o 0.9453000      0.9788000     ?             ?      
1 1 1 38 24 34 o 0.8420000      0.9745000     ?             ?      
1 1 1 38 24 35 o -0.2481000     0.9775000     ?             ?      
1 1 1 38 24 36 o -0.2580000     0.9770000     ?             ?      
1 1 1 38 24 37 o -1.893000      1.119000      ?             ?      
1 1 1 38 24 38 o -0.4288000     1.112000      ?             ?      
1 1 1 38 24 39 o -0.9913000     1.134000      ?             ?      
1 1 1 38 24 40 o 0.9434000      1.069000      ?             ?      
1 1 1 38 24 41 o -0.4912000     1.062000      ?             ?      
1 1 1 38 24 42 o 0.1697000      1.074000      ?             ?      
1 1 1 38 24 43 o 0.5386000      1.050000      ?             ?      
1 1 1 38 24 44 o -1.330000      1.157000      ?             ?      
1 1 1 38 24 45 o 0.7551000      1.218000      ?             ?      
1 1 1 38 24 46 o -0.6983000     1.547000      ?             ?      
1 1 1 38 24 47 o -0.8105000     1.453000      ?             ?      
1 1 1 38 24 48 o -0.2934000     1.111000      ?             ?      
1 1 1 38 24 49 o 0.1256000      1.679000      ?             ?      
1 1 1 38 25 0  o 1.999000       1.426000      100.0312      -0.0   
1 1 1 38 25 1  o 1.137000       1.004000      119.8833      87.3   
1 1 1 38 25 2  o -0.8403000E-01 1.134000      74.11640      -34.3  
1 1 1 38 25 3  o -0.8797000     1.087000      5.093064      -86.4  
1 1 1 38 25 4  o 1.117000       1.103000      72.43510      164.0  
1 1 1 38 25 5  o -0.6956000     1.119000      92.03543      -90.3  
1 1 1 38 25 6  o 0.8055000      1.144000      103.1743      -174.1 
1 1 1 38 25 7  o 2.107000       1.150000      85.12672      98.4   
1 1 1 38 25 8  o -1.118000      1.073000      58.83856      142.2  
1 1 1 38 25 9  o 0.5662000E-01  1.083000      68.55782      156.5  
1 1 1 38 25 10 o -0.6982000     1.087000      100.4630      -19.8  
1 1 1 38 25 11 o 1.435000       1.099000      19.14120      171.7  
1 1 1 38 25 12 o 0.1075000      1.111000      107.8896      -109.2 
1 1 1 38 25 13 o 1.716000       1.120000      73.00385      -103.8 
1 1 1 38 25 14 o 0.7648000      1.134000      99.71218      86.2   
1 1 1 38 25 15 o -0.2225000     1.229000      22.07018      66.1   
1 1 1 38 25 16 o 2.308000       1.644000      ?             ?      
1 1 1 38 25 17 o -0.3276000     1.354000      ?             ?      
1 1 1 38 25 18 o 1.895000       1.344000      ?             ?      
1 1 1 38 25 19 o 0.5158000      1.530000      ?             ?      
1 1 1 38 25 20 o -1.898000      1.501000      ?             ?      
1 1 1 38 25 21 o 0.3658000      1.296000      ?             ?      
1 1 1 38 25 22 o -0.5221000     1.224000      ?             ?      
1 1 1 38 25 23 o 0.7064000      1.227000      ?             ?      
1 1 1 38 25 24 o -0.1531000     1.335000      ?             ?      
1 1 1 38 25 25 o 0.4218000      1.278000      ?             ?      
1 1 1 38 25 26 o -0.7052000     1.147000      ?             ?      
1 1 1 38 25 27 o 1.729000       1.133000      ?             ?      
1 1 1 38 25 28 o -0.6625000     1.168000      ?             ?      
1 1 1 38 25 29 o 2.509000       1.328000      ?             ?      
1 1 1 38 25 30 o -0.4626000     1.281000      ?             ?      
1 1 1 38 25 31 o -0.8773000     1.147000      ?             ?      
1 1 1 38 25 32 o 0.6125000      1.070000      ?             ?      
1 1 1 38 25 33 o 0.2418000      1.061000      ?             ?      
1 1 1 38 25 34 o 1.306000       0.9890000     ?             ?      
1 1 1 38 25 35 o 0.1424000      0.9787000     ?             ?      
1 1 1 38 25 36 o -0.6676000     0.9746000     ?             ?      
1 1 1 38 25 37 o 0.5414000      1.113000      ?             ?      
1 1 1 38 25 38 o 3.376000       1.133000      ?             ?      
1 1 1 38 25 39 o 0.6453000      1.136000      ?             ?      
1 1 1 38 25 40 o 0.5787000      1.216000      ?             ?      
1 1 1 38 25 41 o -0.1762000     1.059000      ?             ?      
1 1 1 38 25 42 o -0.2752000     1.068000      ?             ?      
1 1 1 38 25 43 o -0.9056000E-01 1.054000      ?             ?      
1 1 1 38 25 44 o 0.6083000      1.246000      ?             ?      
1 1 1 38 25 45 o 0.6436000      1.579000      ?             ?      
1 1 1 38 25 46 o 0.8602000      1.082000      ?             ?      
1 1 1 38 25 47 o 0.1928000      1.102000      ?             ?      
1 1 1 38 25 48 o -0.1294000     1.147000      ?             ?      
1 1 1 38 26 0  o 1.378000       1.402000      26.76901      -180.0 
1 1 1 38 26 1  o -0.2560000     1.011000      15.67268      49.6   
1 1 1 38 26 2  o 0.4670000      1.112000      136.5349      51.9   
1 1 1 38 26 3  o 0.3907000      1.103000      54.51383      0.6    
1 1 1 38 26 4  o 2.180000       1.122000      136.6982      167.1  
1 1 1 38 26 5  o 0.9800000      1.129000      165.9121      -105.8 
1 1 1 38 26 6  o 1.304000       1.146000      116.3629      57.2   
1 1 1 38 26 7  o 0.2792000      1.143000      116.9363      151.3  
1 1 1 38 26 8  o -2.399000      1.145000      166.7044      87.9   
1 1 1 38 26 9  o 0.5016000      1.087000      71.19212      -42.3  
1 1 1 38 26 10 o 0.9679000      1.086000      60.64467      -49.3  
1 1 1 38 26 11 o 2.068000       1.107000      182.7316      31.9   
1 1 1 38 26 12 o 0.6944000      1.105000      73.16127      45.9   
1 1 1 38 26 13 o 0.1979000      1.099000      78.50284      -22.4  
1 1 1 38 26 14 o -0.2628000     1.113000      ?             ?      
1 1 1 38 26 15 o 0.2848000      1.111000      ?             ?      
1 1 1 38 26 16 o 0.4166000      1.221000      ?             ?      
1 1 1 38 26 17 o -0.4420000     1.388000      ?             ?      
1 1 1 38 26 18 o 1.785000       1.542000      ?             ?      
1 1 1 38 26 19 o 0.6629000      1.514000      ?             ?      
1 1 1 38 26 20 o 0.6807000      1.517000      ?             ?      
1 1 1 38 26 21 o 1.748000       1.206000      ?             ?      
1 1 1 38 26 22 o -0.1625000     1.200000      ?             ?      
1 1 1 38 26 23 o 1.210000       1.342000      ?             ?      
1 1 1 38 26 24 o -1.193000      1.280000      ?             ?      
1 1 1 38 26 25 o 1.274000       1.290000      ?             ?      
1 1 1 38 26 26 o -1.595000      1.138000      ?             ?      
1 1 1 38 26 27 o 1.133000       1.209000      ?             ?      
1 1 1 38 26 28 o -0.9101000     1.165000      ?             ?      
1 1 1 38 26 29 o -1.481000      1.125000      ?             ?      
1 1 1 38 26 30 o -0.7725000     1.118000      ?             ?      
1 1 1 38 26 31 o 0.4772000E-01  1.114000      ?             ?      
1 1 1 38 26 32 o 3.158000       1.294000      ?             ?      
1 1 1 38 26 33 o 0.5345000      1.025000      ?             ?      
1 1 1 38 26 34 o -1.035000      0.9796000     ?             ?      
1 1 1 38 26 35 o -0.4591000     1.059000      ?             ?      
1 1 1 38 26 36 o -0.5775000     1.060000      ?             ?      
1 1 1 38 26 37 o -1.596000      1.207000      ?             ?      
1 1 1 38 26 38 o -0.8650000E-01 1.140000      ?             ?      
1 1 1 38 26 39 o 0.4477000      1.145000      ?             ?      
1 1 1 38 26 40 o -0.5989000     1.210000      ?             ?      
1 1 1 38 26 41 o -2.118000      1.066000      ?             ?      
1 1 1 38 26 42 o -0.1579000     1.103000      ?             ?      
1 1 1 38 26 43 o -0.5875000     1.145000      ?             ?      
1 1 1 38 26 44 o -0.7511000     1.210000      ?             ?      
1 1 1 38 26 45 o -0.8180000     1.070000      ?             ?      
1 1 1 38 26 46 o 0.7421000      1.074000      ?             ?      
1 1 1 38 26 47 o 0.3818000E-01  1.233000      ?             ?      
1 1 1 38 26 48 o -0.9227000     2.390000      ?             ?      
1 1 1 38 27 0  o 1.661000       1.399000      101.9849      180.0  
1 1 1 38 27 1  o -1.011000      1.038000      64.87590      174.9  
1 1 1 38 27 2  o 1.233000       1.099000      86.12519      -101.1 
1 1 1 38 27 3  o -1.093000      1.093000      49.71001      167.2  
1 1 1 38 27 4  o 0.2080000      1.111000      26.54286      106.5  
1 1 1 38 27 5  o -0.7575000     1.133000      66.30156      -130.9 
1 1 1 38 27 6  o 0.1611000      1.163000      110.6723      123.7  
1 1 1 38 27 7  o -0.1497000     1.145000      110.5811      143.5  
1 1 1 38 27 8  o -0.9668000     1.164000      8.426944      -174.9 
1 1 1 38 27 9  o -0.1488000     1.077000      96.22099      139.1  
1 1 1 38 27 10 o -1.115000      1.077000      34.68438      -27.1  
1 1 1 38 27 11 o -0.9309000     1.083000      ?             ?      
1 1 1 38 27 12 o -1.288000      1.064000      ?             ?      
1 1 1 38 27 13 o -1.191000      1.073000      ?             ?      
1 1 1 38 27 14 o 1.604000       1.083000      ?             ?      
1 1 1 38 27 15 o 0.2111000      1.073000      ?             ?      
1 1 1 38 27 16 o -0.7163000     1.196000      ?             ?      
1 1 1 38 27 17 o -1.198000      1.556000      ?             ?      
1 1 1 38 27 18 o 1.818000       1.577000      ?             ?      
1 1 1 38 27 19 o 0.5618000      1.587000      ?             ?      
1 1 1 38 27 20 o -0.4756000     1.316000      ?             ?      
1 1 1 38 27 21 o -1.668000      1.344000      ?             ?      
1 1 1 38 27 22 o -1.760000      1.535000      ?             ?      
1 1 1 38 27 23 o -0.9228000     1.554000      ?             ?      
1 1 1 38 27 24 o -0.3777000     1.299000      ?             ?      
1 1 1 38 27 25 o -1.980000      1.283000      ?             ?      
1 1 1 38 27 26 o 0.4274000      1.121000      ?             ?      
1 1 1 38 27 27 o 1.221000       1.182000      ?             ?      
1 1 1 38 27 28 o -0.4120000     1.143000      ?             ?      
1 1 1 38 27 29 o -0.7779000     1.123000      ?             ?      
1 1 1 38 27 30 o 0.8162000      1.121000      ?             ?      
1 1 1 38 27 31 o -0.5644000     1.090000      ?             ?      
1 1 1 38 27 32 o 1.012000       1.108000      ?             ?      
1 1 1 38 27 33 o -0.3055000E-01 1.134000      ?             ?      
1 1 1 38 27 34 o 0.3047000      0.9946000     ?             ?      
1 1 1 38 27 35 o -0.7749000     1.023000      ?             ?      
1 1 1 38 27 36 o 1.204000       1.036000      ?             ?      
1 1 1 38 27 37 o 0.3285000      1.005000      ?             ?      
1 1 1 38 27 38 o 0.9607000      1.217000      ?             ?      
1 1 1 38 27 39 o -2.663000      1.224000      ?             ?      
1 1 1 38 27 40 o -0.4401000     1.337000      ?             ?      
1 1 1 38 27 41 o -1.260000      1.094000      ?             ?      
1 1 1 38 27 42 o -0.6999000     1.106000      ?             ?      
1 1 1 38 27 43 o 3.082000       1.240000      ?             ?      
1 1 1 38 27 44 o -1.707000      1.135000      ?             ?      
1 1 1 38 27 45 o -1.038000      1.238000      ?             ?      
1 1 1 38 27 46 o -0.5390000     1.150000      ?             ?      
1 1 1 38 27 47 o 0.1946000      1.336000      ?             ?      
1 1 1 38 28 0  o -2.160000      1.355000      100.9721      0.0    
1 1 1 38 28 1  o 0.9780000      1.114000      41.32521      7.5    
1 1 1 38 28 2  o -0.8362000     1.070000      21.43404      154.1  
1 1 1 38 28 3  o 0.7422000      1.090000      27.11465      64.6   
1 1 1 38 28 4  o 0.9765000      1.116000      84.73442      165.8  
1 1 1 38 28 5  o 1.190000       1.144000      167.0061      -118.3 
1 1 1 38 28 6  o 0.1620000      1.139000      63.72879      26.1   
1 1 1 38 28 7  o 0.1277000E-01  1.178000      ?             ?      
1 1 1 38 28 8  o 0.2432000      1.130000      ?             ?      
1 1 1 38 28 9  o -0.5295000     1.143000      ?             ?      
1 1 1 38 28 10 o -0.7176000     1.063000      ?             ?      
1 1 1 38 28 11 o 0.1479000      1.049000      ?             ?      
1 1 1 38 28 12 o 0.4241000      1.052000      ?             ?      
1 1 1 38 28 13 o 0.4407000      1.060000      ?             ?      
1 1 1 38 28 14 o 0.2837000      1.053000      ?             ?      
1 1 1 38 28 15 o 0.4807000      1.067000      ?             ?      
1 1 1 38 28 16 o -1.044000      1.307000      ?             ?      
1 1 1 38 28 17 o 0.1286000      1.553000      ?             ?      
1 1 1 38 28 18 o -0.6972000     1.568000      ?             ?      
1 1 1 38 28 19 o 0.5021000      1.367000      ?             ?      
1 1 1 38 28 20 o -1.127000      1.216000      ?             ?      
1 1 1 38 28 21 o -0.7701000E-01 1.252000      ?             ?      
1 1 1 38 28 22 o 0.4372000      1.229000      ?             ?      
1 1 1 38 28 23 o -2.383000      1.338000      ?             ?      
1 1 1 38 28 24 o -0.7719000     1.506000      ?             ?      
1 1 1 38 28 25 o -1.423000      1.423000      ?             ?      
1 1 1 38 28 26 o -2.752000      1.225000      ?             ?      
1 1 1 38 28 27 o -0.1343000     1.181000      ?             ?      
1 1 1 38 28 28 o -0.5982000     1.146000      ?             ?      
1 1 1 38 28 29 o 1.496000       1.282000      ?             ?      
1 1 1 38 28 30 o 1.011000       1.124000      ?             ?      
1 1 1 38 28 31 o 1.352000       1.117000      ?             ?      
1 1 1 38 28 32 o -1.304000      1.107000      ?             ?      
1 1 1 38 28 33 o 0.3692000      1.107000      ?             ?      
1 1 1 38 28 34 o -1.786000      1.160000      ?             ?      
1 1 1 38 28 35 o -0.3427000     0.9975000     ?             ?      
1 1 1 38 28 36 o 1.118000       0.9780000     ?             ?      
1 1 1 38 28 37 o -0.5519000     1.111000      ?             ?      
1 1 1 38 28 38 o 0.4488000      1.223000      ?             ?      
1 1 1 38 28 39 o -0.2616000     1.237000      ?             ?      
1 1 1 38 28 40 o -1.225000      1.208000      ?             ?      
1 1 1 38 28 41 o -0.6008000     1.267000      ?             ?      
1 1 1 38 28 42 o -0.3758000     2.029000      ?             ?      
1 1 1 38 28 43 o -2.374000      1.866000      ?             ?      
1 1 1 38 28 44 o -1.093000      1.185000      ?             ?      
1 1 1 38 28 45 o 0.6876000      1.130000      ?             ?      
1 1 1 38 28 46 o -2.806000      1.498000      ?             ?      
1 1 1 38 29 0  o 1.247000       1.336000      ?             ?      
1 1 1 38 29 1  o 1.468000       1.082000      ?             ?      
1 1 1 38 29 2  o -0.4471000     1.045000      ?             ?      
1 1 1 38 29 3  o -0.2347000     1.063000      ?             ?      
1 1 1 38 29 4  o 1.349000       1.090000      ?             ?      
1 1 1 38 29 5  o 0.2914000      1.102000      ?             ?      
1 1 1 38 29 6  o -0.1911000     1.137000      ?             ?      
1 1 1 38 29 7  o -0.7537000     1.114000      ?             ?      
1 1 1 38 29 8  o -1.785000      1.117000      ?             ?      
1 1 1 38 29 9  o 0.3516000      1.111000      ?             ?      
1 1 1 38 29 10 o 0.7281000E-02  1.114000      ?             ?      
1 1 1 38 29 11 o -0.8410000     1.038000      ?             ?      
1 1 1 38 29 12 o 1.051000       1.055000      ?             ?      
1 1 1 38 29 13 o 0.1308000      1.054000      ?             ?      
1 1 1 38 29 14 o 0.4539000      1.061000      ?             ?      
1 1 1 38 29 15 o 0.5847000      1.174000      ?             ?      
1 1 1 38 29 16 o -2.425000      1.310000      ?             ?      
1 1 1 38 29 17 o 0.1539000      1.548000      ?             ?      
1 1 1 38 29 18 o 0.6196000      1.363000      ?             ?      
1 1 1 38 29 19 o -2.513000      1.196000      ?             ?      
1 1 1 38 29 20 o 0.6039000      1.255000      ?             ?      
1 1 1 38 29 21 o 0.8147000      1.236000      ?             ?      
1 1 1 38 29 22 o 2.153000       1.377000      ?             ?      
1 1 1 38 29 23 o -0.6658000E-01 1.322000      ?             ?      
1 1 1 38 29 24 o -0.9277000     1.309000      ?             ?      
1 1 1 38 29 25 o 0.1928000      1.128000      ?             ?      
1 1 1 38 29 26 o 0.5899000E-01  1.193000      ?             ?      
1 1 1 38 29 27 o -0.9571000     1.186000      ?             ?      
1 1 1 38 29 28 o -0.7878000E-01 1.320000      ?             ?      
1 1 1 38 29 29 o -1.270000      1.283000      ?             ?      
1 1 1 38 29 30 o 1.270000       1.148000      ?             ?      
1 1 1 38 29 31 o -0.1830000     1.135000      ?             ?      
1 1 1 38 29 32 o 1.086000       1.126000      ?             ?      
1 1 1 38 29 33 o -0.8267000     1.124000      ?             ?      
1 1 1 38 29 34 o -1.113000      1.118000      ?             ?      
1 1 1 38 29 35 o -1.004000      1.120000      ?             ?      
1 1 1 38 29 36 o 0.9504000      1.020000      ?             ?      
1 1 1 38 29 37 o -0.9483000     1.114000      ?             ?      
1 1 1 38 29 38 o 0.9684000      1.130000      ?             ?      
1 1 1 38 29 39 o 0.6244000      1.132000      ?             ?      
1 1 1 38 29 40 o -1.284000      2.196000      ?             ?      
1 1 1 38 29 41 o -0.3951000     1.598000      ?             ?      
1 1 1 38 29 42 o -0.9189000     2.232000      ?             ?      
1 1 1 38 29 43 o 0.4012000      1.533000      ?             ?      
1 1 1 38 29 44 o 0.8585000      1.095000      ?             ?      
1 1 1 38 29 45 o -0.2572000     1.129000      ?             ?      
1 1 1 38 30 0  o -0.7301000     1.320000      ?             ?      
1 1 1 38 30 1  o -0.2161000     1.065000      ?             ?      
1 1 1 38 30 2  o -0.4074000     1.037000      ?             ?      
1 1 1 38 30 3  o 0.8348000      1.056000      ?             ?      
1 1 1 38 30 4  o 1.566000       1.068000      ?             ?      
1 1 1 38 30 5  o -1.718000      1.102000      ?             ?      
1 1 1 38 30 6  o 0.8949000E-01  1.087000      ?             ?      
1 1 1 38 30 7  o -0.2679000     1.107000      ?             ?      
1 1 1 38 30 8  o 0.4521000E-01  1.104000      ?             ?      
1 1 1 38 30 9  o 0.2751000      1.100000      ?             ?      
1 1 1 38 30 10 o -0.6951000     1.111000      ?             ?      
1 1 1 38 30 11 o 0.5169000      1.132000      ?             ?      
1 1 1 38 30 12 o 0.2556000E-01  1.050000      ?             ?      
1 1 1 38 30 13 o -0.6034000E-01 1.065000      ?             ?      
1 1 1 38 30 14 o -0.1149000     1.158000      ?             ?      
1 1 1 38 30 15 o 1.122000       1.318000      ?             ?      
1 1 1 38 30 16 o -1.130000      1.310000      ?             ?      
1 1 1 38 30 17 o 1.088000       1.583000      ?             ?      
1 1 1 38 30 18 o -1.426000      1.190000      ?             ?      
1 1 1 38 30 19 o -1.246000      1.199000      ?             ?      
1 1 1 38 30 20 o -0.2924000     1.218000      ?             ?      
1 1 1 38 30 21 o 1.144000       1.225000      ?             ?      
1 1 1 38 30 22 o 0.9426000      1.314000      ?             ?      
1 1 1 38 30 23 o -1.337000      1.298000      ?             ?      
1 1 1 38 30 24 o -0.5891000     1.144000      ?             ?      
1 1 1 38 30 25 o 0.5493000      1.117000      ?             ?      
1 1 1 38 30 26 o 1.113000       1.118000      ?             ?      
1 1 1 38 30 27 o -0.9490000     1.207000      ?             ?      
1 1 1 38 30 28 o -0.4573000     1.189000      ?             ?      
1 1 1 38 30 29 o 0.2260000      1.175000      ?             ?      
1 1 1 38 30 30 o 1.821000       1.180000      ?             ?      
1 1 1 38 30 31 o -0.9677000     1.315000      ?             ?      
1 1 1 38 30 32 o 1.615000       1.292000      ?             ?      
1 1 1 38 30 33 o -0.6268000     1.139000      ?             ?      
1 1 1 38 30 34 o 0.6896000E-01  1.120000      ?             ?      
1 1 1 38 30 35 f -1.484000      1.128000      ?             ?      
1 1 1 38 30 36 o -0.1570000     1.161000      ?             ?      
1 1 1 38 30 37 o -0.8493000     1.061000      ?             ?      
1 1 1 38 30 38 o 0.3598000      1.572000      ?             ?      
1 1 1 38 30 39 o -0.3070000     1.626000      ?             ?      
1 1 1 38 30 40 o 0.2840000      1.295000      ?             ?      
1 1 1 38 30 41 o -1.275000      1.616000      ?             ?      
1 1 1 38 30 42 o 1.760000       1.466000      ?             ?      
1 1 1 38 30 43 o 0.2623000      1.163000      ?             ?      
1 1 1 38 30 44 o 1.056000       1.089000      ?             ?      
1 1 1 38 30 45 o -1.355000      2.550000      ?             ?      
1 1 1 38 31 0  o 0.2834000      1.331000      ?             ?      
1 1 1 38 31 1  o 0.6529000      1.015000      ?             ?      
1 1 1 38 31 2  o -0.2787000E-01 1.027000      ?             ?      
1 1 1 38 31 3  o -0.9929000     1.036000      ?             ?      
1 1 1 38 31 4  o 0.9622000      1.084000      ?             ?      
1 1 1 38 31 5  o 1.762000       1.079000      ?             ?      
1 1 1 38 31 6  o 0.1286000      1.081000      ?             ?      
1 1 1 38 31 7  o -0.7162000     1.091000      ?             ?      
1 1 1 38 31 8  o -0.1536000     1.089000      ?             ?      
1 1 1 38 31 9  o 0.4819000E-01  1.095000      ?             ?      
1 1 1 38 31 10 o -0.1882000     1.106000      ?             ?      
1 1 1 38 31 11 o -2.093000      1.123000      ?             ?      
1 1 1 38 31 12 o -0.9481000     1.123000      ?             ?      
1 1 1 38 31 13 o 0.4697000      1.069000      ?             ?      
1 1 1 38 31 14 o 2.487000       1.312000      ?             ?      
1 1 1 38 31 15 o -2.137000      1.300000      ?             ?      
1 1 1 38 31 16 o 0.2008000      1.322000      ?             ?      
1 1 1 38 31 17 o 0.6045000      1.194000      ?             ?      
1 1 1 38 31 18 o 0.7405000      1.192000      ?             ?      
1 1 1 38 31 19 o -1.288000      1.195000      ?             ?      
1 1 1 38 31 20 o -0.5418000     1.190000      ?             ?      
1 1 1 38 31 21 o -2.072000      1.554000      ?             ?      
1 1 1 38 31 22 o -0.8497000     1.302000      ?             ?      
1 1 1 38 31 23 o -3.121000      1.299000      ?             ?      
1 1 1 38 31 24 o -0.3356000     1.137000      ?             ?      
1 1 1 38 31 25 o -1.950000      1.119000      ?             ?      
1 1 1 38 31 26 o -1.100000      1.237000      ?             ?      
1 1 1 38 31 27 o 0.9931000E-02  1.182000      ?             ?      
1 1 1 38 31 28 o 0.4136000      1.202000      ?             ?      
1 1 1 38 31 29 o -0.1141000     1.193000      ?             ?      
1 1 1 38 31 30 o -2.117000      1.197000      ?             ?      
1 1 1 38 31 31 o -1.190000      1.183000      ?             ?      
1 1 1 38 31 32 o -1.034000      1.185000      ?             ?      
1 1 1 38 31 33 o 0.8082000      1.174000      ?             ?      
1 1 1 38 31 34 o -1.706000      1.280000      ?             ?      
1 1 1 38 31 35 o -0.5928000     1.310000      ?             ?      
1 1 1 38 31 36 o -0.9895000     1.207000      ?             ?      
1 1 1 38 31 37 o -0.7818000     1.245000      ?             ?      
1 1 1 38 31 38 o 1.602000       1.616000      ?             ?      
1 1 1 38 31 39 o -0.4447000     1.228000      ?             ?      
1 1 1 38 31 40 o 0.4513000      1.287000      ?             ?      
1 1 1 38 31 41 o -1.752000      1.547000      ?             ?      
1 1 1 38 31 42 o -1.718000      1.296000      ?             ?      
1 1 1 38 31 43 o -1.200000      1.153000      ?             ?      
1 1 1 38 31 44 o -1.291000      2.550000      ?             ?      
1 1 1 38 32 0  o 0.5296000      1.453000      ?             ?      
1 1 1 38 32 1  o -1.420000      1.001000      ?             ?      
1 1 1 38 32 2  o -0.9242000     1.044000      ?             ?      
1 1 1 38 32 3  o 0.8264000      1.051000      ?             ?      
1 1 1 38 32 4  o -0.3449000E-01 1.040000      ?             ?      
1 1 1 38 32 5  o -1.294000      1.049000      ?             ?      
1 1 1 38 32 6  o -0.8863000     1.075000      ?             ?      
1 1 1 38 32 7  o -1.104000      1.094000      ?             ?      
1 1 1 38 32 8  o 0.3016000      1.105000      ?             ?      
1 1 1 38 32 9  o 0.2746000      1.107000      ?             ?      
1 1 1 38 32 10 o 0.9702000E-01  1.100000      ?             ?      
1 1 1 38 32 11 o -1.442000      1.113000      ?             ?      
1 1 1 38 32 12 o 1.532000       1.138000      ?             ?      
1 1 1 38 32 13 o -0.7985000     1.496000      ?             ?      
1 1 1 38 32 14 o 0.6633000      1.285000      ?             ?      
1 1 1 38 32 15 o 2.137000       1.311000      ?             ?      
1 1 1 38 32 16 o 0.2704000      1.186000      ?             ?      
1 1 1 38 32 17 o -1.296000      1.180000      ?             ?      
1 1 1 38 32 18 o -0.4365000     1.173000      ?             ?      
1 1 1 38 32 19 o 0.4654000E-01  1.189000      ?             ?      
1 1 1 38 32 20 o 2.977000       1.215000      ?             ?      
1 1 1 38 32 21 o 2.251000       1.322000      ?             ?      
1 1 1 38 32 22 o -0.6528000     1.317000      ?             ?      
1 1 1 38 32 23 o -0.4057000     1.155000      ?             ?      
1 1 1 38 32 24 o -0.3829000     1.151000      ?             ?      
1 1 1 38 32 25 o -0.3338000E-02 1.138000      ?             ?      
1 1 1 38 32 26 o -0.3562000     1.252000      ?             ?      
1 1 1 38 32 27 o 0.4874000      1.244000      ?             ?      
1 1 1 38 32 28 o -1.897000      1.192000      ?             ?      
1 1 1 38 32 29 o -0.8277000     1.202000      ?             ?      
1 1 1 38 32 30 o -0.8160000     1.196000      ?             ?      
1 1 1 38 32 31 o -1.056000      1.183000      ?             ?      
1 1 1 38 32 32 o 1.391000       1.192000      ?             ?      
1 1 1 38 32 33 o 1.487000       1.185000      ?             ?      
1 1 1 38 32 34 o 2.240000       1.235000      ?             ?      
1 1 1 38 32 35 o 0.2999000      1.252000      ?             ?      
1 1 1 38 32 36 o -0.1977000     1.188000      ?             ?      
1 1 1 38 32 37 o -0.8973000     1.349000      ?             ?      
1 1 1 38 32 38 o -0.3988000     2.114000      ?             ?      
1 1 1 38 32 39 o -0.5609000     2.123000      ?             ?      
1 1 1 38 32 40 o -1.679000      1.300000      ?             ?      
1 1 1 38 32 41 o 0.4153000      1.422000      ?             ?      
1 1 1 38 32 42 o -0.8452000     1.150000      ?             ?      
1 1 1 38 32 43 o -1.681000      2.125000      ?             ?      
1 1 1 38 33 0  o -1.057000      1.626000      ?             ?      
1 1 1 38 33 1  o 0.7032000      1.010000      ?             ?      
1 1 1 38 33 2  o 0.1756000      1.044000      ?             ?      
1 1 1 38 33 3  o -0.6545000     1.017000      ?             ?      
1 1 1 38 33 4  o -1.230000      1.026000      ?             ?      
1 1 1 38 33 5  o -0.6201000     1.037000      ?             ?      
1 1 1 38 33 6  o 0.3939000E-01  1.057000      ?             ?      
1 1 1 38 33 7  o -0.5623000     1.078000      ?             ?      
1 1 1 38 33 8  o -0.7078000E-01 1.083000      ?             ?      
1 1 1 38 33 9  o -0.1762000     1.092000      ?             ?      
1 1 1 38 33 10 o 0.3356000      1.092000      ?             ?      
1 1 1 38 33 11 o 1.981000       1.120000      ?             ?      
1 1 1 38 33 12 o -2.167000      1.478000      ?             ?      
1 1 1 38 33 13 o -2.298000      1.485000      ?             ?      
1 1 1 38 33 14 o 1.613000       1.556000      ?             ?      
1 1 1 38 33 15 o -0.5602000     1.192000      ?             ?      
1 1 1 38 33 16 o -0.7639000     1.065000      ?             ?      
1 1 1 38 33 17 o -0.4849000     1.172000      ?             ?      
1 1 1 38 33 18 o -0.9835000     1.181000      ?             ?      
1 1 1 38 33 19 o 0.2054000      1.191000      ?             ?      
1 1 1 38 33 20 o 0.2814000      1.340000      ?             ?      
1 1 1 38 33 21 o 0.8932000      1.321000      ?             ?      
1 1 1 38 33 22 o -0.3449000     1.339000      ?             ?      
1 1 1 38 33 23 o 1.270000       1.188000      ?             ?      
1 1 1 38 33 24 o 0.9820000      1.154000      ?             ?      
1 1 1 38 33 25 o 1.977000       1.156000      ?             ?      
1 1 1 38 33 26 f 0.2942000      1.267000      ?             ?      
1 1 1 38 33 27 o 0.6752000E-01  1.268000      ?             ?      
1 1 1 38 33 28 o 0.4957000      1.267000      ?             ?      
1 1 1 38 33 29 o 0.8201000E-01  1.250000      ?             ?      
1 1 1 38 33 30 o 1.249000       1.211000      ?             ?      
1 1 1 38 33 31 o -0.2071000     1.183000      ?             ?      
1 1 1 38 33 32 o 1.909000       1.221000      ?             ?      
1 1 1 38 33 33 o 0.4849000      1.219000      ?             ?      
1 1 1 38 33 34 o -0.8075000     1.200000      ?             ?      
1 1 1 38 33 35 o 0.3376000      1.208000      ?             ?      
1 1 1 38 33 36 o -0.7786000     1.195000      ?             ?      
1 1 1 38 33 37 o -0.4509000     1.234000      ?             ?      
1 1 1 38 33 38 o 3.350000       2.207000      ?             ?      
1 1 1 38 33 39 o 0.9836000E-01  2.136000      ?             ?      
1 1 1 38 33 40 o 1.704000       2.262000      ?             ?      
1 1 1 38 33 41 o -0.5658000     1.596000      ?             ?      
1 1 1 38 33 42 o -2.705000      2.385000      ?             ?      
1 1 1 38 34 0  o 1.659000       1.603000      ?             ?      
1 1 1 38 34 1  o 0.2025000      1.008000      ?             ?      
1 1 1 38 34 2  o 0.2332000      1.044000      ?             ?      
1 1 1 38 34 3  o 0.7131000      1.024000      ?             ?      
1 1 1 38 34 4  o 0.3452000      1.022000      ?             ?      
1 1 1 38 34 5  o -0.1731000     1.024000      ?             ?      
1 1 1 38 34 6  o -0.7156000     1.040000      ?             ?      
1 1 1 38 34 7  o -1.424000      1.066000      ?             ?      
1 1 1 38 34 8  o -0.3205000     1.090000      ?             ?      
1 1 1 38 34 9  o -0.5939000     1.087000      ?             ?      
1 1 1 38 34 10 o 0.5258000      1.106000      ?             ?      
1 1 1 38 34 11 o -1.175000      1.238000      ?             ?      
1 1 1 38 34 12 o -1.421000      1.477000      ?             ?      
1 1 1 38 34 13 o 1.020000       1.505000      ?             ?      
1 1 1 38 34 14 o 2.007000       1.549000      ?             ?      
1 1 1 38 34 15 o -2.582000      1.169000      ?             ?      
1 1 1 38 34 16 o 0.3805000      1.085000      ?             ?      
1 1 1 38 34 17 o -1.156000      1.138000      ?             ?      
1 1 1 38 34 18 o 0.1543000      1.177000      ?             ?      
1 1 1 38 34 19 o -3.282000      1.185000      ?             ?      
1 1 1 38 34 20 o 0.6135000      1.323000      ?             ?      
1 1 1 38 34 21 o -0.6136000     1.340000      ?             ?      
1 1 1 38 34 22 o 1.483000       1.175000      ?             ?      
1 1 1 38 34 23 o 0.3546000      1.150000      ?             ?      
1 1 1 38 34 24 o 0.2598000      1.146000      ?             ?      
1 1 1 38 34 25 o -0.2749000     1.164000      ?             ?      
1 1 1 38 34 26 o -2.095000      1.290000      ?             ?      
1 1 1 38 34 27 o -1.721000      1.288000      ?             ?      
1 1 1 38 34 28 o -0.8555000     1.284000      ?             ?      
1 1 1 38 34 29 o -1.255000      1.277000      ?             ?      
1 1 1 38 34 30 o -0.1064000     1.299000      ?             ?      
1 1 1 38 34 31 o 0.1149000      1.259000      ?             ?      
1 1 1 38 34 32 o -0.4643000     1.232000      ?             ?      
1 1 1 38 34 33 o 1.111000       1.228000      ?             ?      
1 1 1 38 34 34 o 0.1874000      1.230000      ?             ?      
1 1 1 38 34 35 o -1.967000      1.211000      ?             ?      
1 1 1 38 34 36 o -0.7692000     1.216000      ?             ?      
1 1 1 38 34 37 o -0.9783000     1.390000      ?             ?      
1 1 1 38 34 38 o -2.713000      2.143000      ?             ?      
1 1 1 38 34 39 o -0.3612000     1.706000      ?             ?      
1 1 1 38 34 40 f -2.739000      1.721000      ?             ?      
1 1 1 38 35 0  o 2.909000       1.662000      ?             ?      
1 1 1 38 35 1  o 0.2121000      1.002000      ?             ?      
1 1 1 38 35 2  o 1.355000       1.020000      ?             ?      
1 1 1 38 35 3  o -0.7126000     1.009000      ?             ?      
1 1 1 38 35 4  o -1.872000      1.015000      ?             ?      
1 1 1 38 35 5  o 0.3406000      1.023000      ?             ?      
1 1 1 38 35 6  o -0.3565000     1.036000      ?             ?      
1 1 1 38 35 7  o 1.235000       1.052000      ?             ?      
1 1 1 38 35 8  o -0.5083000     1.078000      ?             ?      
1 1 1 38 35 9  o -1.169000      1.087000      ?             ?      
1 1 1 38 35 10 o 0.9191000      1.241000      ?             ?      
1 1 1 38 35 11 o -3.212000      1.492000      ?             ?      
1 1 1 38 35 12 o -1.190000      1.479000      ?             ?      
1 1 1 38 35 13 o -0.7300000     1.524000      ?             ?      
1 1 1 38 35 14 o -0.8968000E-01 1.168000      ?             ?      
1 1 1 38 35 15 o 0.8420000      1.183000      ?             ?      
1 1 1 38 35 16 o 1.832000       1.158000      ?             ?      
1 1 1 38 35 17 o 0.3091000      1.178000      ?             ?      
1 1 1 38 35 18 o 0.3297000      1.194000      ?             ?      
1 1 1 38 35 19 o -1.825000      1.347000      ?             ?      
1 1 1 38 35 20 o 0.7284000      1.326000      ?             ?      
1 1 1 38 35 21 o -0.3238000     1.336000      ?             ?      
1 1 1 38 35 22 o -0.4958000     1.155000      ?             ?      
1 1 1 38 35 23 o 0.4223000      1.157000      ?             ?      
1 1 1 38 35 24 o 0.3464000      1.150000      ?             ?      
1 1 1 38 35 25 o 0.3102000      1.158000      ?             ?      
1 1 1 38 35 26 o -1.199000      1.268000      ?             ?      
1 1 1 38 35 27 o -1.742000      1.303000      ?             ?      
1 1 1 38 35 28 o 1.350000       1.326000      ?             ?      
1 1 1 38 35 29 o -0.1140000     1.264000      ?             ?      
1 1 1 38 35 30 o -1.209000      1.252000      ?             ?      
1 1 1 38 35 31 o 0.4945000      1.243000      ?             ?      
1 1 1 38 35 32 o 0.6548000      1.268000      ?             ?      
1 1 1 38 35 33 o -0.3724000E-01 1.226000      ?             ?      
1 1 1 38 35 34 o 0.8595000      1.238000      ?             ?      
1 1 1 38 35 35 o -1.155000      1.233000      ?             ?      
1 1 1 38 35 36 o -0.6018000     1.412000      ?             ?      
1 1 1 38 35 37 o -0.5230000     1.480000      ?             ?      
1 1 1 38 35 38 o -2.206000      2.919000      ?             ?      
1 1 1 38 35 39 o -1.332000      2.854000      ?             ?      
1 1 1 38 35 40 < 0.000000       -1.000000     ?             ?      
1 1 1 38 36 0  o 1.501000       1.666000      ?             ?      
1 1 1 38 36 1  o 0.1616000      0.9961000     ?             ?      
1 1 1 38 36 2  o 0.6938000      1.012000      ?             ?      
1 1 1 38 36 3  o 0.3693000      1.016000      ?             ?      
1 1 1 38 36 4  o 0.2681000      1.129000      ?             ?      
1 1 1 38 36 5  o 0.1548000      1.028000      ?             ?      
1 1 1 38 36 6  o -0.6225000     1.025000      ?             ?      
1 1 1 38 36 7  o 1.106000       1.057000      ?             ?      
1 1 1 38 36 8  o -0.8086000     1.080000      ?             ?      
1 1 1 38 36 9  o -0.8901000     1.110000      ?             ?      
1 1 1 38 36 10 o -2.423000      1.483000      ?             ?      
1 1 1 38 36 11 o 1.848000       1.493000      ?             ?      
1 1 1 38 36 12 o -1.511000      1.505000      ?             ?      
1 1 1 38 36 13 o 0.4344000      1.173000      ?             ?      
1 1 1 38 36 14 o 0.6922000      1.182000      ?             ?      
1 1 1 38 36 15 o 0.7992000E-01  1.142000      ?             ?      
1 1 1 38 36 16 o 0.4667000      1.147000      ?             ?      
1 1 1 38 36 17 o -0.4259000     1.317000      ?             ?      
1 1 1 38 36 18 o 0.2974000      1.192000      ?             ?      
1 1 1 38 36 19 o -0.1761000     1.354000      ?             ?      
1 1 1 38 36 20 o -0.1205000     1.356000      ?             ?      
1 1 1 38 36 21 o -0.3826000     1.182000      ?             ?      
1 1 1 38 36 22 o -0.4712000E-01 1.173000      ?             ?      
1 1 1 38 36 23 o 1.594000       1.175000      ?             ?      
1 1 1 38 36 24 o 0.1187000E-01  1.172000      ?             ?      
1 1 1 38 36 25 o -0.2956000     1.220000      ?             ?      
1 1 1 38 36 26 o 1.530000       1.350000      ?             ?      
1 1 1 38 36 27 o -0.6685000     1.284000      ?             ?      
1 1 1 38 36 28 o 1.405000       1.296000      ?             ?      
1 1 1 38 36 29 o -1.141000      1.269000      ?             ?      
1 1 1 38 36 30 o 1.879000       1.277000      ?             ?      
1 1 1 38 36 31 o -3.657000      1.280000      ?             ?      
1 1 1 38 36 32 o -0.8067000     1.274000      ?             ?      
1 1 1 38 36 33 o -0.3392000     1.276000      ?             ?      
1 1 1 38 36 34 o -0.8325000     1.272000      ?             ?      
1 1 1 38 36 35 o -0.2842000     1.303000      ?             ?      
1 1 1 38 36 36 o -0.9512000     1.496000      ?             ?      
1 1 1 38 36 37 o -0.7258000     1.174000      ?             ?      
1 1 1 38 36 38 o -0.4691000     1.599000      ?             ?      
1 1 1 38 37 0  o 0.1523000      1.619000      ?             ?      
1 1 1 38 37 1  o -0.4011000     0.9957000     ?             ?      
1 1 1 38 37 2  o 0.4027000      1.007000      ?             ?      
1 1 1 38 37 3  o 0.6702000      1.015000      ?             ?      
1 1 1 38 37 4  o -0.2265000     1.011000      ?             ?      
1 1 1 38 37 5  o -0.1134000     1.023000      ?             ?      
1 1 1 38 37 6  o -0.8618000     1.032000      ?             ?      
1 1 1 38 37 7  o 0.1925000      1.046000      ?             ?      
1 1 1 38 37 8  o 0.3148000      1.073000      ?             ?      
1 1 1 38 37 9  o 0.3558000      1.214000      ?             ?      
1 1 1 38 37 10 o 1.709000       1.485000      ?             ?      
1 1 1 38 37 11 o -0.7912000     1.468000      ?             ?      
1 1 1 38 37 12 o 1.172000       1.297000      ?             ?      
1 1 1 38 37 13 o -0.2211000     1.180000      ?             ?      
1 1 1 38 37 14 o 0.3315000      1.166000      ?             ?      
1 1 1 38 37 15 o -0.7826000     1.150000      ?             ?      
1 1 1 38 37 16 o -0.4801000     1.180000      ?             ?      
1 1 1 38 37 17 o -1.985000      1.313000      ?             ?      
1 1 1 38 37 18 o -1.674000      1.590000      ?             ?      
1 1 1 38 37 19 o -0.7538000     1.336000      ?             ?      
1 1 1 38 37 20 o -2.698000      1.320000      ?             ?      
1 1 1 38 37 21 o 0.3783000      1.175000      ?             ?      
1 1 1 38 37 22 o 1.321000       1.216000      ?             ?      
1 1 1 38 37 23 o 2.114000       1.243000      ?             ?      
1 1 1 38 37 24 o -0.1575000     1.187000      ?             ?      
1 1 1 38 37 25 o 1.037000       1.188000      ?             ?      
1 1 1 38 37 26 o 2.363000       1.332000      ?             ?      
1 1 1 38 37 27 o -0.2510000     1.315000      ?             ?      
1 1 1 38 37 28 o -0.1316000E-01 1.352000      ?             ?      
1 1 1 38 37 29 o -0.3541000     1.276000      ?             ?      
1 1 1 38 37 30 o -1.860000      1.295000      ?             ?      
1 1 1 38 37 31 o 2.292000       1.303000      ?             ?      
1 1 1 38 37 32 o -0.1658000     1.354000      ?             ?      
1 1 1 38 37 33 o 0.6842000      1.247000      ?             ?      
1 1 1 38 37 34 f 0.4341000      1.348000      ?             ?      
1 1 1 38 37 35 o -2.722000      4.232000      ?             ?      
1 1 1 38 37 36 o 0.2454000      1.109000      ?             ?      
1 1 1 38 37 37 o 0.8229000      1.590000      ?             ?      
1 1 1 38 38 0  o -0.3877000     1.342000      ?             ?      
1 1 1 38 38 1  o -0.2643000     0.9801000     ?             ?      
1 1 1 38 38 2  o -0.1082000     0.9958000     ?             ?      
1 1 1 38 38 3  o 0.9460000      1.020000      ?             ?      
1 1 1 38 38 4  o 0.4826000      1.019000      ?             ?      
1 1 1 38 38 5  o 1.388000       1.038000      ?             ?      
1 1 1 38 38 6  o 0.1872000      1.044000      ?             ?      
1 1 1 38 38 7  o -0.2106000     1.059000      ?             ?      
1 1 1 38 38 8  o -0.5274000     1.198000      ?             ?      
1 1 1 38 38 9  o -0.2526000     1.439000      ?             ?      
1 1 1 38 38 10 o 1.236000       1.476000      ?             ?      
1 1 1 38 38 11 o -0.3085000     1.507000      ?             ?      
1 1 1 38 38 12 o -0.4508000     1.166000      ?             ?      
1 1 1 38 38 13 o 0.4307000      1.147000      ?             ?      
1 1 1 38 38 14 o 1.130000       1.158000      ?             ?      
1 1 1 38 38 15 o 1.666000       1.287000      ?             ?      
1 1 1 38 38 16 o 0.6906000E-01  1.344000      ?             ?      
1 1 1 38 38 17 o -0.4780000     1.326000      ?             ?      
1 1 1 38 38 18 o 0.2815000      1.618000      ?             ?      
1 1 1 38 38 19 o -0.7547000     1.573000      ?             ?      
1 1 1 38 38 20 o -1.323000      1.215000      ?             ?      
1 1 1 38 38 21 o 1.597000       1.210000      ?             ?      
1 1 1 38 38 22 o 1.205000       1.194000      ?             ?      
1 1 1 38 38 23 o 0.9503000      1.192000      ?             ?      
1 1 1 38 38 24 o 0.3528000      1.172000      ?             ?      
1 1 1 38 38 25 o 0.1468000      1.180000      ?             ?      
1 1 1 38 38 26 o 1.000000       1.315000      ?             ?      
1 1 1 38 38 27 o 0.3890000      1.335000      ?             ?      
1 1 1 38 38 28 o 0.2081000      1.281000      ?             ?      
1 1 1 38 38 29 o 1.557000       1.361000      ?             ?      
1 1 1 38 38 30 o 2.417000       1.354000      ?             ?      
1 1 1 38 38 31 o -2.089000      1.349000      ?             ?      
1 1 1 38 38 32 o 0.9829000      1.610000      ?             ?      
1 1 1 38 38 33 o -0.9082000     1.594000      ?             ?      
1 1 1 38 38 34 o -0.3048000     1.544000      ?             ?      
1 1 1 38 38 35 o -0.5485000     1.541000      ?             ?      
1 1 1 38 38 36 o -0.4920000     2.434000      ?             ?      
1 1 1 38 39 0  o 0.7594000E-01  1.285000      ?             ?      
1 1 1 38 39 1  o 0.7603000      0.9695000     ?             ?      
1 1 1 38 39 2  o -0.1073000     0.9903000     ?             ?      
1 1 1 38 39 3  o 0.5837000      1.028000      ?             ?      
1 1 1 38 39 4  o -0.1994000     1.114000      ?             ?      
1 1 1 38 39 5  o -1.167000      1.018000      ?             ?      
1 1 1 38 39 6  o -1.496000      1.030000      ?             ?      
1 1 1 38 39 7  o -0.2133000     1.164000      ?             ?      
1 1 1 38 39 8  o 1.027000       1.459000      ?             ?      
1 1 1 38 39 9  o -1.124000      1.447000      ?             ?      
1 1 1 38 39 10 o -0.8578000     1.485000      ?             ?      
1 1 1 38 39 11 o -0.1682000     1.169000      ?             ?      
1 1 1 38 39 12 o 3.234000       1.290000      ?             ?      
1 1 1 38 39 13 o -0.1267000     1.269000      ?             ?      
1 1 1 38 39 14 o 0.5540000      1.160000      ?             ?      
1 1 1 38 39 15 o -0.1288000     1.172000      ?             ?      
1 1 1 38 39 16 o -0.7563000     1.203000      ?             ?      
1 1 1 38 39 17 o -0.9445000     1.623000      ?             ?      
1 1 1 38 39 18 o -0.2325000     1.605000      ?             ?      
1 1 1 38 39 19 o -0.5710000     1.591000      ?             ?      
1 1 1 38 39 20 o -1.043000      1.312000      ?             ?      
1 1 1 38 39 21 o -1.622000      1.174000      ?             ?      
1 1 1 38 39 22 o -0.2334000     1.177000      ?             ?      
1 1 1 38 39 23 o -0.3612000     1.182000      ?             ?      
1 1 1 38 39 24 o 0.6113000      1.184000      ?             ?      
1 1 1 38 39 25 o -1.029000      1.173000      ?             ?      
1 1 1 38 39 26 o -0.5190000     1.312000      ?             ?      
1 1 1 38 39 27 o 0.3398000      1.342000      ?             ?      
1 1 1 38 39 28 o -1.038000      1.366000      ?             ?      
1 1 1 38 39 29 o 2.513000       2.531000      ?             ?      
1 1 1 38 39 30 o -0.3960000     1.072000      ?             ?      
1 1 1 38 39 31 o 0.1253000E-01  1.339000      ?             ?      
1 1 1 38 39 32 o -1.014000      1.350000      ?             ?      
1 1 1 38 39 33 o 0.9456000      1.352000      ?             ?      
1 1 1 38 39 34 o 0.5605000      2.274000      ?             ?      
1 1 1 38 40 0  o -0.1670000     1.299000      ?             ?      
1 1 1 38 40 1  o 0.7114000      0.9818000     ?             ?      
1 1 1 38 40 2  o -1.414000      0.9848000     ?             ?      
1 1 1 38 40 3  o -0.7068000     1.018000      ?             ?      
1 1 1 38 40 4  o 1.194000       1.003000      ?             ?      
1 1 1 38 40 5  o 0.2628000      1.041000      ?             ?      
1 1 1 38 40 6  o -1.647000      1.156000      ?             ?      
1 1 1 38 40 7  o 0.5447000      1.457000      ?             ?      
1 1 1 38 40 8  o -0.1313000     1.460000      ?             ?      
1 1 1 38 40 9  o 0.2090000      1.527000      ?             ?      
1 1 1 38 40 10 o -0.5348000     1.302000      ?             ?      
1 1 1 38 40 11 o 1.622000       1.155000      ?             ?      
1 1 1 38 40 12 o -1.457000      1.147000      ?             ?      
1 1 1 38 40 13 o -0.8108000     1.143000      ?             ?      
1 1 1 38 40 14 o -0.1764000     1.177000      ?             ?      
1 1 1 38 40 15 o 0.2939000      1.266000      ?             ?      
1 1 1 38 40 16 o -0.4186000     1.248000      ?             ?      
1 1 1 38 40 17 o 1.394000       1.628000      ?             ?      
1 1 1 38 40 18 o 2.420000       1.594000      ?             ?      
1 1 1 38 40 19 o -0.2311000     1.332000      ?             ?      
1 1 1 38 40 20 o 0.2354000      1.311000      ?             ?      
1 1 1 38 40 21 o -0.1884000     1.313000      ?             ?      
1 1 1 38 40 22 f -0.2248000     1.187000      ?             ?      
1 1 1 38 40 23 o 0.8660000      1.196000      ?             ?      
1 1 1 38 40 24 o 0.6159000      1.187000      ?             ?      
1 1 1 38 40 25 o -0.6482000     1.228000      ?             ?      
1 1 1 38 40 26 o 1.228000       1.358000      ?             ?      
1 1 1 38 40 27 o 1.663000       1.625000      ?             ?      
1 1 1 38 40 28 o -2.024000      1.052000      ?             ?      
1 1 1 38 40 29 o -0.7936000     1.342000      ?             ?      
1 1 1 38 40 30 o -0.8134000     1.335000      ?             ?      
1 1 1 38 40 31 o -0.1586000     1.359000      ?             ?      
1 1 1 38 40 32 o -4.254000      2.928000      ?             ?      
1 1 1 38 40 33 o -1.261000      2.388000      ?             ?      
1 1 1 38 41 0  o -1.558000      1.299000      ?             ?      
1 1 1 38 41 1  o 0.4751000      0.9867000     ?             ?      
1 1 1 38 41 2  o -0.1111000     0.9823000     ?             ?      
1 1 1 38 41 3  o 0.6675000E-01  1.017000      ?             ?      
1 1 1 38 41 4  o -0.2951000     1.014000      ?             ?      
1 1 1 38 41 5  o -1.721000      1.146000      ?             ?      
1 1 1 38 41 6  o -0.5560000     1.453000      ?             ?      
1 1 1 38 41 7  o 2.840000       1.914000      ?             ?      
1 1 1 38 41 8  o -1.793000      1.948000      ?             ?      
1 1 1 38 41 9  o -0.1546000     1.297000      ?             ?      
1 1 1 38 41 10 o 1.465000       1.139000      ?             ?      
1 1 1 38 41 11 o -0.3911000     1.122000      ?             ?      
1 1 1 38 41 12 o 0.1357000      1.170000      ?             ?      
1 1 1 38 41 13 o 1.234000       1.183000      ?             ?      
1 1 1 38 41 14 o 0.7782000      1.200000      ?             ?      
1 1 1 38 41 15 o -0.5920000     1.194000      ?             ?      
1 1 1 38 41 16 o 1.819000       1.382000      ?             ?      
1 1 1 38 41 17 o 0.9165000      1.570000      ?             ?      
1 1 1 38 41 18 o 0.6532000      1.614000      ?             ?      
1 1 1 38 41 19 o -0.3944000     1.318000      ?             ?      
1 1 1 38 41 20 o -2.191000      1.334000      ?             ?      
1 1 1 38 41 21 o -0.5528000     1.334000      ?             ?      
1 1 1 38 41 22 o 0.1062000      1.348000      ?             ?      
1 1 1 38 41 23 o 0.8188000      1.244000      ?             ?      
1 1 1 38 41 24 o 3.218000       2.485000      ?             ?      
1 1 1 38 41 25 o -1.999000      1.379000      ?             ?      
1 1 1 38 41 26 o 0.8977000      1.377000      ?             ?      
1 1 1 38 41 27 o 0.2025000      1.369000      ?             ?      
1 1 1 38 41 28 o 0.4514000      1.344000      ?             ?      
1 1 1 38 41 29 o 0.4070000      1.361000      ?             ?      
1 1 1 38 41 30 o 1.083000       1.578000      ?             ?      
1 1 1 38 41 31 o 2.026000       1.615000      ?             ?      
1 1 1 38 42 0  o -0.5816000     1.338000      ?             ?      
1 1 1 38 42 1  o -0.3347000     1.026000      ?             ?      
1 1 1 38 42 2  o 1.116000       0.9895000     ?             ?      
1 1 1 38 42 3  o 1.093000       1.032000      ?             ?      
1 1 1 38 42 4  o 0.2385000      1.161000      ?             ?      
1 1 1 38 42 5  o -2.544000      1.873000      ?             ?      
1 1 1 38 42 6  o 0.1099000      1.485000      ?             ?      
1 1 1 38 42 7  o -0.1366000     1.525000      ?             ?      
1 1 1 38 42 8  o -0.4636000     1.356000      ?             ?      
1 1 1 38 42 9  o 0.5457000      1.205000      ?             ?      
1 1 1 38 42 10 o 0.4817000      1.201000      ?             ?      
1 1 1 38 42 11 o 0.7462000      1.125000      ?             ?      
1 1 1 38 42 12 o -0.4702000     1.123000      ?             ?      
1 1 1 38 42 13 o -0.7814000     1.141000      ?             ?      
1 1 1 38 42 14 o -0.5634000     1.183000      ?             ?      
1 1 1 38 42 15 o -0.4537000     1.201000      ?             ?      
1 1 1 38 42 16 o 1.354000       1.391000      ?             ?      
1 1 1 38 42 17 o -2.241000      1.580000      ?             ?      
1 1 1 38 42 18 o 1.232000       1.365000      ?             ?      
1 1 1 38 42 19 o 0.7267000      1.338000      ?             ?      
1 1 1 38 42 20 o 0.3548000      1.346000      ?             ?      
1 1 1 38 42 21 o 1.056000       1.396000      ?             ?      
1 1 1 38 42 22 o -1.359000      1.369000      ?             ?      
1 1 1 38 42 23 o -0.6149000     1.351000      ?             ?      
1 1 1 38 42 24 o 1.193000       1.364000      ?             ?      
1 1 1 38 42 25 o 0.2273000      1.245000      ?             ?      
1 1 1 38 42 26 o 2.284000       1.654000      ?             ?      
1 1 1 38 42 27 o 2.070000       1.366000      ?             ?      
1 1 1 38 42 28 o 1.676000       1.627000      ?             ?      
1 1 1 38 42 29 o -0.3795000     1.625000      ?             ?      
1 1 1 38 43 0  o -1.341000      1.331000      ?             ?      
1 1 1 38 43 1  o 1.561000       1.144000      ?             ?      
1 1 1 38 43 2  o 0.2945000      1.114000      ?             ?      
1 1 1 38 43 3  o -0.1476000     1.062000      ?             ?      
1 1 1 38 43 4  o 0.6444000E-01  1.395000      ?             ?      
1 1 1 38 43 5  o -0.4342000     1.416000      ?             ?      
1 1 1 38 43 6  o 0.9615000E-01  1.547000      ?             ?      
1 1 1 38 43 7  o 4.551000       1.675000      ?             ?      
1 1 1 38 43 8  o 0.6940000      1.220000      ?             ?      
1 1 1 38 43 9  o 1.387000       1.152000      ?             ?      
1 1 1 38 43 10 o 1.210000       1.146000      ?             ?      
1 1 1 38 43 11 o 0.7623000      1.122000      ?             ?      
1 1 1 38 43 12 o -0.3907000     1.139000      ?             ?      
1 1 1 38 43 13 o 1.250000       1.201000      ?             ?      
1 1 1 38 43 14 o 1.562000       1.186000      ?             ?      
1 1 1 38 43 15 o -1.308000      1.354000      ?             ?      
1 1 1 38 43 16 o -1.162000      1.370000      ?             ?      
1 1 1 38 43 17 o 1.930000       1.623000      ?             ?      
1 1 1 38 43 18 o -0.4926000     1.364000      ?             ?      
1 1 1 38 43 19 o -0.9318000     1.344000      ?             ?      
1 1 1 38 43 20 o -0.5299000     1.349000      ?             ?      
1 1 1 38 43 21 o -0.8731000     1.353000      ?             ?      
1 1 1 38 43 22 o -0.2909000E-01 1.165000      ?             ?      
1 1 1 38 43 23 o -1.254000      1.381000      ?             ?      
1 1 1 38 43 24 o 0.3836000      1.377000      ?             ?      
1 1 1 38 43 25 o 0.5583000E-02  1.421000      ?             ?      
1 1 1 38 43 26 o -1.178000      1.604000      ?             ?      
1 1 1 38 43 27 o 1.667000       1.115000      ?             ?      
1 1 1 38 44 0  o -1.561000      1.290000      ?             ?      
1 1 1 38 44 1  o -1.106000      1.095000      ?             ?      
1 1 1 38 44 2  o -0.8111000     1.011000      ?             ?      
1 1 1 38 44 3  o 0.1409000      1.474000      ?             ?      
1 1 1 38 44 4  o -1.230000      1.448000      ?             ?      
1 1 1 38 44 5  o 1.545000       1.526000      ?             ?      
1 1 1 38 44 6  o 0.7823000      1.515000      ?             ?      
1 1 1 38 44 7  o -0.6172000E-01 1.152000      ?             ?      
1 1 1 38 44 8  o -1.656000      1.148000      ?             ?      
1 1 1 38 44 9  o -0.3916000     1.139000      ?             ?      
1 1 1 38 44 10 o -1.486000      1.135000      ?             ?      
1 1 1 38 44 11 o -0.6033000     1.140000      ?             ?      
1 1 1 38 44 12 o 0.3871000E-01  1.150000      ?             ?      
1 1 1 38 44 13 o -0.3327000     1.200000      ?             ?      
1 1 1 38 44 14 o -0.9473000     1.227000      ?             ?      
1 1 1 38 44 15 o 0.1607000      1.388000      ?             ?      
1 1 1 38 44 16 o 2.018000       1.407000      ?             ?      
1 1 1 38 44 17 o 0.7235000      1.612000      ?             ?      
1 1 1 38 44 18 o 1.045000       1.337000      ?             ?      
1 1 1 38 44 19 o -0.1943000     1.333000      ?             ?      
1 1 1 38 44 20 o 2.501000       1.366000      ?             ?      
1 1 1 38 44 21 o -0.8108000     1.367000      ?             ?      
1 1 1 38 44 22 o 0.5734000      1.381000      ?             ?      
1 1 1 38 44 23 o 1.825000       1.415000      ?             ?      
1 1 1 38 44 24 o 1.548000       1.648000      ?             ?      
1 1 1 38 44 25 o 1.068000       1.611000      ?             ?      
1 1 1 38 45 0  o 1.992000       1.419000      ?             ?      
1 1 1 38 45 1  o -0.2742000     1.082000      ?             ?      
1 1 1 38 45 2  o -1.769000      1.388000      ?             ?      
1 1 1 38 45 3  o -0.3551000     1.439000      ?             ?      
1 1 1 38 45 4  o -1.233000      1.505000      ?             ?      
1 1 1 38 45 5  o 2.418000       1.508000      ?             ?      
1 1 1 38 45 6  o -1.041000      1.296000      ?             ?      
1 1 1 38 45 7  o -1.022000      1.122000      ?             ?      
1 1 1 38 45 8  o 0.4198000      1.135000      ?             ?      
1 1 1 38 45 9  o -0.3215000     1.111000      ?             ?      
1 1 1 38 45 10 o 1.259000       1.136000      ?             ?      
1 1 1 38 45 11 o -0.5246000     1.094000      ?             ?      
1 1 1 38 45 12 o -0.9813000     1.215000      ?             ?      
1 1 1 38 45 13 o -2.475000      1.263000      ?             ?      
1 1 1 38 45 14 o 0.2753000      1.303000      ?             ?      
1 1 1 38 45 15 o -1.037000      1.363000      ?             ?      
1 1 1 38 45 16 o -0.8900000E-01 1.373000      ?             ?      
1 1 1 38 45 17 o -1.413000      1.321000      ?             ?      
1 1 1 38 45 18 o 0.8068000      1.351000      ?             ?      
1 1 1 38 45 19 o -0.5304000     1.341000      ?             ?      
1 1 1 38 45 20 o -1.447000      1.363000      ?             ?      
1 1 1 38 45 21 o -0.7326000     1.613000      ?             ?      
1 1 1 38 45 22 f -1.952000      1.606000      ?             ?      
1 1 1 38 45 23 o 0.3575000      2.675000      ?             ?      
1 1 1 38 46 0  o 0.5782000      1.312000      ?             ?      
1 1 1 38 46 1  o 1.775000       1.166000      ?             ?      
1 1 1 38 46 2  o 1.575000       1.883000      ?             ?      
1 1 1 38 46 3  o -3.409000      1.909000      ?             ?      
1 1 1 38 46 4  o -0.7525000     1.973000      ?             ?      
1 1 1 38 46 5  o -2.326000      1.308000      ?             ?      
1 1 1 38 46 6  o -0.5080000     1.175000      ?             ?      
1 1 1 38 46 7  o -0.6326000     1.186000      ?             ?      
1 1 1 38 46 8  o -0.4297000     1.128000      ?             ?      
1 1 1 38 46 9  o -1.656000      1.135000      ?             ?      
1 1 1 38 46 10 o -1.011000      1.162000      ?             ?      
1 1 1 38 46 11 o -2.477000      1.145000      ?             ?      
1 1 1 38 46 12 o 0.7702000      1.221000      ?             ?      
1 1 1 38 46 13 o 0.4269000      1.217000      ?             ?      
1 1 1 38 46 14 o -0.1200000     1.386000      ?             ?      
1 1 1 38 46 15 o -0.7460000     1.362000      ?             ?      
1 1 1 38 46 16 o 0.5405000      1.375000      ?             ?      
1 1 1 38 46 17 o -0.3093000     1.332000      ?             ?      
1 1 1 38 46 18 o -1.871000      1.569000      ?             ?      
1 1 1 38 46 19 o -0.9494000     1.601000      ?             ?      
1 1 1 38 46 20 o -0.2286000     3.066000      ?             ?      
1 1 1 38 47 0  o 0.1576000      1.400000      ?             ?      
1 1 1 38 47 1  o 0.5393000E-01  1.420000      ?             ?      
1 1 1 38 47 2  o -0.2484000     1.435000      ?             ?      
1 1 1 38 47 3  o -0.9660000E-01 1.360000      ?             ?      
1 1 1 38 47 4  o 1.525000       1.504000      ?             ?      
1 1 1 38 47 5  o -0.7727000     1.158000      ?             ?      
1 1 1 38 47 6  o 1.841000       1.292000      ?             ?      
1 1 1 38 47 7  o -0.9355000     2.254000      ?             ?      
1 1 1 38 47 8  o 0.1126000E-01  1.156000      ?             ?      
1 1 1 38 47 9  o -0.4503000     1.175000      ?             ?      
1 1 1 38 47 10 o 0.7626000      1.194000      ?             ?      
1 1 1 38 47 11 o 1.105000       1.207000      ?             ?      
1 1 1 38 47 12 o 0.2073000      1.222000      ?             ?      
1 1 1 38 47 13 o 0.2601000E-01  1.246000      ?             ?      
1 1 1 38 47 14 o -0.4096000E-01 2.183000      ?             ?      
1 1 1 38 47 15 o 1.470000       2.152000      ?             ?      
1 1 1 38 47 16 o 0.1329000      1.574000      ?             ?      
1 1 1 38 47 17 < 0.000000       -1.000000     ?             ?      
1 1 1 38 48 0  o 1.381000       1.635000      ?             ?      
1 1 1 38 48 1  o -2.875000      1.459000      ?             ?      
1 1 1 38 48 2  o 1.936000       1.463000      ?             ?      
1 1 1 38 48 3  o 0.4836000      1.550000      ?             ?      
1 1 1 38 48 4  o 0.6978000      1.179000      ?             ?      
1 1 1 38 48 5  o -1.001000      1.177000      ?             ?      
1 1 1 38 48 6  o 2.148000       1.984000      ?             ?      
1 1 1 38 48 7  o 1.092000       1.135000      ?             ?      
1 1 1 38 48 8  o -2.070000      1.134000      ?             ?      
1 1 1 38 48 9  o 1.066000       1.515000      ?             ?      
1 1 1 38 48 10 o -0.4494000     2.161000      ?             ?      
1 1 1 38 48 11 o -0.2698000     1.606000      ?             ?      
1 1 1 38 48 12 o -3.521000      2.920000      ?             ?      
1 1 1 38 49 0  o -3.110000      1.893000      ?             ?      
1 1 1 38 49 1  o 1.063000       2.137000      ?             ?      
1 1 1 38 49 2  o -0.7540000     2.032000      ?             ?      
1 1 1 38 49 3  o -2.284000      1.577000      ?             ?      
1 1 1 38 49 4  o 1.650000       1.573000      ?             ?      
1 1 1 38 49 5  o 0.8991000      4.143000      ?             ?      
1 1 1 38 49 6  < 0.000000       -1.000000     ?             ?      
1 1 1 39 0  1  o -1.746000      1.337000      84.51944      90.0   
1 1 1 39 0  2  o 0.5328000E-01  1.323000      22.56841      180.0  
1 1 1 39 0  3  o -1.345000      1.289000      3.935538      90.0   
1 1 1 39 0  4  o 0.6149000      1.321000      107.2296      -0.0   
1 1 1 39 0  5  o -0.8180000     1.345000      12.58304      -90.0  
1 1 1 39 0  6  o -2.735000      1.372000      11.01950      -180.0 
1 1 1 39 0  7  o 0.6452000E-01  1.381000      12.36234      -90.0  
1 1 1 39 0  8  o -3.094000      1.423000      1.687416      -0.0   
1 1 1 39 0  9  o -0.9950000E-01 1.398000      46.91085      -90.0  
1 1 1 39 0  10 o 2.067000       1.399000      10.16395      -0.0   
1 1 1 39 0  11 o -0.4358000     1.393000      47.40178      90.0   
1 1 1 39 0  12 o -0.8785000     1.432000      55.83134      180.0  
1 1 1 39 0  13 o -1.070000      1.439000      8.126627      90.0   
1 1 1 39 0  14 o -1.048000      1.391000      56.21375      180.0  
1 1 1 39 0  15 o 0.6905000      1.432000      88.16417      90.0   
1 1 1 39 0  16 o -0.8134000     1.432000      17.68980      -0.0   
1 1 1 39 0  17 o -1.430000      1.434000      19.02002      -90.0  
1 1 1 39 0  18 o 0.6410000      1.446000      5.001765      0.0    
1 1 1 39 0  19 o 0.9352000      1.452000      0.4937695     -90.0  
1 1 1 39 0  20 o 0.9494000      1.437000      3.061959      -0.0   
1 1 1 39 0  21 o -1.237000      1.409000      54.43287      -90.0  
1 1 1 39 0  22 f 1.042000       1.436000      128.7922      180.0  
1 1 1 39 0  23 o 0.7945000      1.445000      26.30998      -90.0  
1 1 1 39 0  24 o -1.050000      1.440000      17.53011      -180.0 
1 1 1 39 0  25 o 1.846000       1.468000      38.59613      -90.0  
1 1 1 39 0  26 o -0.2345000     1.444000      34.74497      0.0    
1 1 1 39 0  27 o -1.265000      1.431000      38.95036      90.0   
1 1 1 39 0  28 o 1.527000       1.925000      44.90667      -0.0   
1 1 1 39 0  29 o 0.5816000      1.930000      64.46735      90.0   
1 1 1 39 0  30 o 2.255000       1.958000      63.05687      -0.0   
1 1 1 39 0  31 o -1.091000      2.596000      ?             ?      
1 1 1 39 0  32 o -1.741000      1.628000      ?             ?      
1 1 1 39 0  33 o 1.459000       1.835000      ?             ?      
1 1 1 39 0  34 o -2.505000      1.646000      ?             ?      
1 1 1 39 0  35 o -0.3363000     1.625000      ?             ?      
1 1 1 39 0  36 o -1.401000      1.626000      ?             ?      
1 1 1 39 0  37 o 1.688000       1.528000      ?             ?      
1 1 1 39 0  38 o -0.7420000     1.482000      ?             ?      
1 1 1 39 0  39 f 0.8039000      1.380000      ?             ?      
1 1 1 39 0  40 f 0.2421000      1.371000      ?             ?      
1 1 1 39 0  41 o -0.8805000     1.450000      ?             ?      
1 1 1 39 0  42 o 1.103000       1.462000      ?             ?      
1 1 1 39 0  43 o -0.2338000     1.460000      ?             ?      
1 1 1 39 0  44 o -1.459000      1.480000      ?             ?      
1 1 1 39 0  45 o -1.398000      1.521000      ?             ?      
1 1 1 39 0  46 o 0.3412000E-01  1.557000      ?             ?      
1 1 1 39 0  47 o 0.5129000      1.516000      ?             ?      
1 1 1 39 0  48 o 0.7202000      1.522000      ?             ?      
1 1 1 39 0  49 o 1.238000       1.734000      ?             ?      
1 1 1 39 0  50 o -0.3431000     1.792000      ?             ?      
1 1 1 39 0  51 o -2.763000      1.976000      ?             ?      
1 1 1 39 0  52 o -1.204000      1.977000      ?             ?      
1 1 1 39 0  53 o -2.678000      2.115000      ?             ?      
1 1 1 39 0  54 o -0.2039000     2.105000      ?             ?      
1 1 1 39 0  55 o 3.007000       2.099000      ?             ?      
1 1 1 39 1  0  o 1.060000       1.342000      33.67872      90.0   
1 1 1 39 1  1  o -0.9753000     0.9375000     20.61376      154.3  
1 1 1 39 1  2  o 0.8440000      0.9201000     46.03030      -176.6 
1 1 1 39 1  3  o -1.218000      0.9153000     70.66617      -129.2 
1 1 1 39 1  4  o -1.172000      0.9358000     44.03390      -72.3  
1 1 1 39 1  5  o -0.8985000     0.9512000     56.11328      -89.4  
1 1 1 39 1  6  o -0.7880000     0.9655000     61.41488      -153.0 
1 1 1 39 1  7  o -2.483000      1.009000      44.74659      -141.3 
1 1 1 39 1  8  o -2.266000      0.9870000     60.38730      -98.8  
1 1 1 39 1  9  o -2.407000      0.9942000     21.31756      131.7  
1 1 1 39 1  10 o -0.3582000     0.9895000     37.97911      150.9  
1 1 1 39 1  11 o 0.5340000      0.9895000     38.07893      -150.0 
1 1 1 39 1  12 o -0.7094000     1.077000      64.68927      -97.2  
1 1 1 39 1  13 o -0.1184000     1.098000      37.07851      -87.5  
1 1 1 39 1  14 o 1.899000       1.003000      27.19009      50.1   
1 1 1 39 1  15 o 1.236000       1.009000      52.06125      -169.8 
1 1 1 39 1  16 o -1.241000      1.014000      58.55112      140.4  
1 1 1 39 1  17 o -1.470000      1.013000      56.46510      131.3  
1 1 1 39 1  18 o -0.3796000     1.025000      61.55908      -136.5 
1 1 1 39 1  19 o 0.6628000      1.024000      25.05124      127.5  
1 1 1 39 1  20 o 0.9649000      1.010000      13.86140      -103.3 
1 1 1 39 1  21 o -0.9682000     1.003000      43.36331      -107.9 
1 1 1 39 1  22 o -1.594000      1.008000      30.87440      86.3   
1 1 1 39 1  23 o 0.9313000      1.025000      32.30835      167.2  
1 1 1 39 1  24 o -1.225000      1.032000      57.36476      97.9   
1 1 1 39 1  25 o -1.241000      1.040000      50.13715      165.2  
1 1 1 39 1  26 o -0.3505000     1.030000      60.87493      84.7   
1 1 1 39 1  27 f -0.7605000E-01 1.026000      45.49966      99.2   
1 1 1 39 1  28 o -1.521000      1.216000      60.27642      160.5  
1 1 1 39 1  29 o 1.150000       1.370000      41.18034      -149.9 
1 1 1 39 1  30 o -0.8960000     1.513000      48.02487      -89.6  
1 1 1 39 1  31 o -0.9843000     1.556000      ?             ?      
1 1 1 39 1  32 o -3.585000      1.347000      ?             ?      
1 1 1 39 1  33 o -0.1230000     1.381000      ?             ?      
1 1 1 39 1  34 o -0.7110000     1.215000      ?             ?      
1 1 1 39 1  35 o -2.554000      1.181000      ?             ?      
1 1 1 39 1  36 o 0.9890000      1.069000      ?             ?      
1 1 1 39 1  37 o -0.3876000     1.029000      ?             ?      
1 1 1 39 1  38 o -0.9435000     1.060000      ?             ?      
1 1 1 39 1  39 o -1.015000      1.003000      ?             ?      
1 1 1 39 1  40 o -0.5639000     1.040000      ?             ?      
1 1 1 39 1  41 o -0.2999000     1.001000      ?             ?      
1 1 1 39 1  42 o 0.5839000      1.018000      ?             ?      
1 1 1 39 1  43 o -1.283000      1.028000      ?             ?      
1 1 1 39 1  44 o 0.8497000      1.052000      ?             ?      
1 1 1 39 1  45 o 0.2952000      1.067000      ?             ?      
1 1 1 39 1  46 o 0.9025000      1.084000      ?             ?      
1 1 1 39 1  47 o -1.704000      1.141000      ?             ?      
1 1 1 39 1  48 o 0.1129000      1.247000      ?             ?      
1 1 1 39 1  49 o 1.974000       1.254000      ?             ?      
1 1 1 39 1  50 o -2.504000      1.087000      ?             ?      
1 1 1 39 1  51 o 0.1237000      1.200000      ?             ?      
1 1 1 39 1  52 o 1.727000       1.617000      ?             ?      
1 1 1 39 1  53 o -0.4485000     1.618000      ?             ?      
1 1 1 39 1  54 o -0.2390000     1.645000      ?             ?      
1 1 1 39 1  55 o 2.276000       1.862000      ?             ?      
1 1 1 39 2  0  o 0.6424000      1.336000      65.72736      -90.0  
1 1 1 39 2  1  o -0.6611000     0.9375000     21.13478      -1.7   
1 1 1 39 2  2  o -0.9723000     0.9247000     86.44704      -118.9 
1 1 1 39 2  3  o -0.7373000     0.9239000     118.7724      87.9   
1 1 1 39 2  4  o -1.327000      0.9254000     33.91226      -47.2  
1 1 1 39 2  5  o -0.3667000     0.9480000     15.83436      -51.6  
1 1 1 39 2  6  o -0.8312000     0.9640000     171.3212      13.5   
1 1 1 39 2  7  o -1.110000      0.9708000     33.78402      -126.5 
1 1 1 39 2  8  o -0.1520000     0.9867000     13.70752      107.7  
1 1 1 39 2  9  o 0.7614000      1.011000      66.24249      -95.5  
1 1 1 39 2  10 o 0.8567000      1.000000      29.38871      47.0   
1 1 1 39 2  11 o 0.2073000      1.017000      58.63647      89.5   
1 1 1 39 2  12 o 2.744000       1.050000      43.34941      174.2  
1 1 1 39 2  13 o 1.209000       1.040000      40.09945      -105.7 
1 1 1 39 2  14 o -0.9937000     1.018000      11.54721      163.5  
1 1 1 39 2  15 o 0.5131000      1.010000      26.72887      7.3    
1 1 1 39 2  16 o -0.1604000     1.029000      50.32267      48.9   
1 1 1 39 2  17 o -0.8315000     1.028000      81.81576      -121.5 
1 1 1 39 2  18 o -1.264000      1.026000      4.834979      -140.3 
1 1 1 39 2  19 o -0.3590000     1.019000      91.79025      130.9  
1 1 1 39 2  20 o 0.4770000      1.009000      52.18113      -165.2 
1 1 1 39 2  21 o 1.147000       1.011000      85.90231      -88.0  
1 1 1 39 2  22 o -1.188000      1.002000      89.98197      -146.8 
1 1 1 39 2  23 o 0.3781000      1.023000      54.61983      -83.8  
1 1 1 39 2  24 o 0.6056000      1.036000      35.54395      -135.0 
1 1 1 39 2  25 o 0.2980000      1.037000      59.45272      -98.8  
1 1 1 39 2  26 o 0.2259000      1.047000      45.59826      -117.0 
1 1 1 39 2  27 o -0.4889000     1.054000      45.01315      -107.3 
1 1 1 39 2  28 o 2.135000       1.206000      76.36838      -31.7  
1 1 1 39 2  29 o 0.9357000E-01  1.374000      44.10505      42.3   
1 1 1 39 2  30 o -3.406000      2.128000      55.71347      -30.1  
1 1 1 39 2  31 o 0.1794000      1.689000      ?             ?      
1 1 1 39 2  32 o 0.6761000      1.316000      ?             ?      
1 1 1 39 2  33 o -1.379000      1.200000      ?             ?      
1 1 1 39 2  34 o -0.3179000E-02 1.147000      ?             ?      
1 1 1 39 2  35 o 0.2543000      1.071000      ?             ?      
1 1 1 39 2  36 o -0.4926000     1.060000      ?             ?      
1 1 1 39 2  37 o -0.4199000     0.9854000     ?             ?      
1 1 1 39 2  38 o 0.1742000      0.9765000     ?             ?      
1 1 1 39 2  39 o -0.6696000     1.052000      ?             ?      
1 1 1 39 2  40 o -0.2642000     1.034000      ?             ?      
1 1 1 39 2  41 o -0.1440000     0.9951000     ?             ?      
1 1 1 39 2  42 f -0.4509000     1.049000      ?             ?      
1 1 1 39 2  43 o 1.321000       1.075000      ?             ?      
1 1 1 39 2  44 o -0.3822000     1.105000      ?             ?      
1 1 1 39 2  45 o -0.6239000E-01 1.140000      ?             ?      
1 1 1 39 2  46 o -0.4839000     1.263000      ?             ?      
1 1 1 39 2  47 o -1.281000      1.249000      ?             ?      
1 1 1 39 2  48 o -1.295000      1.070000      ?             ?      
1 1 1 39 2  49 o -0.2495000     1.072000      ?             ?      
1 1 1 39 2  50 o 0.5421000      1.087000      ?             ?      
1 1 1 39 2  51 o -0.9943000     1.263000      ?             ?      
1 1 1 39 2  52 o -0.7836000     1.310000      ?             ?      
1 1 1 39 2  53 o -0.4346000     1.936000      ?             ?      
1 1 1 39 2  54 o -1.728000      1.429000      ?             ?      
1 1 1 39 2  55 o 1.507000       1.645000      ?             ?      
1 1 1 39 3  0  o 0.5378000      1.289000      65.97804      90.0   
1 1 1 39 3  1  o 0.4923000      0.9192000     99.06921      158.0  
1 1 1 39 3  2  o -1.180000      0.9289000     25.55887      -96.1  
1 1 1 39 3  3  o -0.5827000     0.9315000     152.7014      -76.3  
1 1 1 39 3  4  o -0.9659000     0.9220000     120.4832      117.2  
1 1 1 39 3  5  o -1.366000      0.9385000     11.66278      58.9   
1 1 1 39 3  6  o 0.7415000E-01  0.9586000     91.04816      163.2  
1 1 1 39 3  7  o -0.1105000E-01 1.395000      91.31659      16.4   
1 1 1 39 3  8  o 0.5605000      0.9976000     90.19952      -106.9 
1 1 1 39 3  9  o 0.3924000      1.008000      195.6921      176.0  
1 1 1 39 3  10 o -0.6186000     1.006000      26.76050      -84.3  
1 1 1 39 3  11 o -0.2644000     1.057000      92.64632      -141.3 
1 1 1 39 3  12 o -1.167000      1.049000      30.78844      -123.9 
1 1 1 39 3  13 o -0.7106000     1.050000      34.04453      73.2   
1 1 1 39 3  14 o -0.3177000     1.111000      18.19521      157.3  
1 1 1 39 3  15 o 1.661000       1.034000      120.8557      149.5  
1 1 1 39 3  16 o 1.574000       1.027000      20.73485      158.8  
1 1 1 39 3  17 o 0.1772000      1.037000      96.57699      134.5  
1 1 1 39 3  18 o -0.3463000     1.031000      135.0069      -91.6  
1 1 1 39 3  19 o 1.129000       1.024000      53.48295      57.2   
1 1 1 39 3  20 o 0.3813000      1.015000      48.42133      -8.5   
1 1 1 39 3  21 o -1.765000      1.004000      22.86216      -127.9 
1 1 1 39 3  22 o -0.8903000     1.010000      12.59188      128.0  
1 1 1 39 3  23 o -0.1590000     1.027000      79.69053      -96.4  
1 1 1 39 3  24 o 0.4463000      1.042000      103.0185      126.8  
1 1 1 39 3  25 o 0.3639000      1.030000      29.52424      152.0  
1 1 1 39 3  26 o 0.8764000      1.046000      66.94251      3.8    
1 1 1 39 3  27 o -0.4521000     1.235000      78.27032      0.4    
1 1 1 39 3  28 o -0.8685000     1.351000      63.42387      154.9  
1 1 1 39 3  29 o -0.5024000     1.529000      57.95525      72.3   
1 1 1 39 3  30 o 0.3936000      1.702000      43.78057      -112.6 
1 1 1 39 3  31 o 0.5883000      1.933000      ?             ?      
1 1 1 39 3  32 o -1.595000      1.218000      ?             ?      
1 1 1 39 3  33 o -0.2748000     1.214000      ?             ?      
1 1 1 39 3  34 o -2.253000      1.201000      ?             ?      
1 1 1 39 3  35 o -2.021000      1.102000      ?             ?      
1 1 1 39 3  36 o -0.4054000     1.049000      ?             ?      
1 1 1 39 3  37 o -0.4926000     1.020000      ?             ?      
1 1 1 39 3  38 o -0.5895000     0.9630000     ?             ?      
1 1 1 39 3  39 o 0.5666000E-01  0.9939000     ?             ?      
1 1 1 39 3  40 o 0.1626000      0.9923000     ?             ?      
1 1 1 39 3  41 o 0.4663000      0.9852000     ?             ?      
1 1 1 39 3  42 o -0.8615000     1.115000      ?             ?      
1 1 1 39 3  43 o 0.2446000      1.162000      ?             ?      
1 1 1 39 3  44 o 1.543000       1.284000      ?             ?      
1 1 1 39 3  45 o -0.7990000     1.122000      ?             ?      
1 1 1 39 3  46 o 0.7129000      1.068000      ?             ?      
1 1 1 39 3  47 o 1.021000       1.073000      ?             ?      
1 1 1 39 3  48 o 1.845000       1.076000      ?             ?      
1 1 1 39 3  49 o 0.2280000      1.070000      ?             ?      
1 1 1 39 3  50 o 0.1750000      1.083000      ?             ?      
1 1 1 39 3  51 o -0.2874000     1.263000      ?             ?      
1 1 1 39 3  52 o -0.2449000     1.352000      ?             ?      
1 1 1 39 3  53 o 3.523000       3.545000      ?             ?      
1 1 1 39 3  54 o -0.3234000     1.610000      ?             ?      
1 1 1 39 3  55 o -1.156000      1.542000      ?             ?      
1 1 1 39 4  0  o -0.5109000     1.274000      51.60087      90.0   
1 1 1 39 4  1  o -0.8093000     0.9094000     45.58405      87.5   
1 1 1 39 4  2  o -0.7627000E-02 0.9322000     181.2770      -100.4 
1 1 1 39 4  3  o -0.1957000     0.9398000     141.5834      149.1  
1 1 1 39 4  4  o 1.321000       0.9306000     97.80425      -63.3  
1 1 1 39 4  5  o 1.325000       0.9309000     11.11446      157.4  
1 1 1 39 4  6  o 0.6919000      0.9454000     73.51243      25.4   
1 1 1 39 4  7  o -1.159000      0.9715000     37.62044      -123.2 
1 1 1 39 4  8  o 1.643000       0.9898000     64.52722      62.2   
1 1 1 39 4  9  o -0.5476000     0.9908000     106.8332      -14.7  
1 1 1 39 4  10 o -0.9225000     1.026000      88.11127      104.5  
1 1 1 39 4  11 o 1.150000       1.062000      63.54811      121.8  
1 1 1 39 4  12 o -1.384000      1.049000      154.3078      -138.2 
1 1 1 39 4  13 o -0.6898000     1.053000      29.81255      -142.2 
1 1 1 39 4  14 o 1.144000       1.085000      95.87028      103.6  
1 1 1 39 4  15 o 0.6761000      1.059000      104.0807      68.3   
1 1 1 39 4  16 o 0.4903000      1.032000      96.98483      -31.8  
1 1 1 39 4  17 o 0.8668000E-01  1.035000      52.58784      -65.4  
1 1 1 39 4  18 o -0.1199000     1.037000      102.7366      173.1  
1 1 1 39 4  19 o -0.4667000     1.022000      102.1558      101.4  
1 1 1 39 4  20 o -0.7240000     1.010000      67.60749      -129.6 
1 1 1 39 4  21 o -0.9857000     1.007000      42.53059      34.0   
1 1 1 39 4  22 o -0.5555000     1.019000      114.7128      -173.0 
1 1 1 39 4  23 o -0.1815000     1.028000      45.69452      -130.4 
1 1 1 39 4  24 o 1.819000       1.035000      122.8714      134.8  
1 1 1 39 4  25 o -1.706000      1.091000      24.99399      -37.8  
1 1 1 39 4  26 o 0.7742000      1.146000      45.43813      32.0   
1 1 1 39 4  27 o 1.572000       1.363000      109.2183      -165.6 
1 1 1 39 4  28 o -1.760000      1.245000      20.63004      56.8   
1 1 1 39 4  29 o 2.249000       1.265000      88.83447      -71.5  
1 1 1 39 4  30 o -0.8492000     1.878000      40.60096      -107.0 
1 1 1 39 4  31 o -0.2161000     1.904000      ?             ?      
1 1 1 39 4  32 o -0.8885000     1.403000      ?             ?      
1 1 1 39 4  33 o 0.6180000E-01  1.178000      ?             ?      
1 1 1 39 4  34 o 0.1202000      1.086000      ?             ?      
1 1 1 39 4  35 o 1.415000       1.071000      ?             ?      
1 1 1 39 4  36 o -0.6904000     1.057000      ?             ?      
1 1 1 39 4  37 o 0.6941000      1.041000      ?             ?      
1 1 1 39 4  38 o -1.037000      1.044000      ?             ?      
1 1 1 39 4  39 o 1.100000       1.045000      ?             ?      
1 1 1 39 4  40 o -0.8663000     1.040000      ?             ?      
1 1 1 39 4  41 o -1.082000      1.198000      ?             ?      
1 1 1 39 4  42 o 0.3130000      1.197000      ?             ?      
1 1 1 39 4  43 o -0.5829000     1.016000      ?             ?      
1 1 1 39 4  44 o 2.161000       1.124000      ?             ?      
1 1 1 39 4  45 o -0.4209000     1.124000      ?             ?      
1 1 1 39 4  46 o 0.1735000      1.066000      ?             ?      
1 1 1 39 4  47 o 1.050000       1.124000      ?             ?      
1 1 1 39 4  48 o 0.1518000      1.111000      ?             ?      
1 1 1 39 4  49 o -1.600000      1.079000      ?             ?      
1 1 1 39 4  50 o 1.732000       1.129000      ?             ?      
1 1 1 39 4  51 o -0.8975000     1.270000      ?             ?      
1 1 1 39 4  52 o -1.289000      1.362000      ?             ?      
1 1 1 39 4  53 o -1.172000      1.607000      ?             ?      
1 1 1 39 4  54 o -0.3708000     1.461000      ?             ?      
1 1 1 39 4  55 o 0.5252000      2.592000      ?             ?      
1 1 1 39 5  0  o -1.847000      1.261000      176.9434      90.0   
1 1 1 39 5  1  o 0.9697000      0.9105000     166.3472      50.0   
1 1 1 39 5  2  o 2.197000       0.9340000     149.5703      -95.6  
1 1 1 39 5  3  o 0.1965000      0.9262000     108.7125      -62.1  
1 1 1 39 5  4  o -0.9957000E-01 0.9245000     128.8837      -110.7 
1 1 1 39 5  5  o 0.5777000      0.9227000     110.3475      93.6   
1 1 1 39 5  6  o 0.8289000      0.9502000     99.37357      108.7  
1 1 1 39 5  7  o 1.409000       0.9715000     95.79675      20.2   
1 1 1 39 5  8  o 2.223000       0.9922000     170.2237      103.5  
1 1 1 39 5  9  o 2.182000       1.010000      246.0011      153.6  
1 1 1 39 5  10 o -1.244000      1.080000      67.74590      -31.7  
1 1 1 39 5  11 o -0.2961000     1.065000      183.6278      -155.5 
1 1 1 39 5  12 o 1.656000       1.073000      116.6560      -175.8 
1 1 1 39 5  13 o 1.427000       1.082000      80.38066      -132.4 
1 1 1 39 5  14 o -0.3582000     1.090000      29.48688      109.6  
1 1 1 39 5  15 o -1.966000      1.105000      42.71904      138.1  
1 1 1 39 5  16 o -0.4364000     1.053000      42.08669      84.6   
1 1 1 39 5  17 o 0.1607000      1.032000      59.19432      49.4   
1 1 1 39 5  18 o -0.4439000     1.038000      20.67287      -44.3  
1 1 1 39 5  19 o 0.3315000      1.036000      84.84522      -152.7 
1 1 1 39 5  20 o -1.527000      1.018000      84.28609      -166.5 
1 1 1 39 5  21 o 0.1809000      1.022000      164.8955      -103.7 
1 1 1 39 5  22 o -2.040000      1.094000      47.63088      -72.3  
1 1 1 39 5  23 o 0.5652000E-01  1.133000      198.6495      -134.4 
1 1 1 39 5  24 o 0.1903000      1.078000      142.6028      112.6  
1 1 1 39 5  25 o 0.6157000      1.122000      95.33064      -34.0  
1 1 1 39 5  26 o -2.373000      1.069000      61.50502      -21.0  
1 1 1 39 5  27 o -0.6798000E-01 1.202000      50.96864      -48.4  
1 1 1 39 5  28 o -2.383000      1.213000      21.97587      20.3   
1 1 1 39 5  29 o -1.727000      1.283000      65.10741      38.5   
1 1 1 39 5  30 o -1.459000      1.803000      ?             ?      
1 1 1 39 5  31 o -1.554000      1.552000      ?             ?      
1 1 1 39 5  32 o -0.5597000E-01 1.375000      ?             ?      
1 1 1 39 5  33 o -1.021000      1.116000      ?             ?      
1 1 1 39 5  34 o 1.327000       1.083000      ?             ?      
1 1 1 39 5  35 o 1.084000       1.016000      ?             ?      
1 1 1 39 5  36 o 0.7336000      1.087000      ?             ?      
1 1 1 39 5  37 o 0.3426000      1.138000      ?             ?      
1 1 1 39 5  38 o -1.412000      1.104000      ?             ?      
1 1 1 39 5  39 o 1.434000       1.243000      ?             ?      
1 1 1 39 5  40 o -0.3180000     1.203000      ?             ?      
1 1 1 39 5  41 o -0.2374000     0.9863000     ?             ?      
1 1 1 39 5  42 o 0.7316000      0.9909000     ?             ?      
1 1 1 39 5  43 o 0.8297000      1.030000      ?             ?      
1 1 1 39 5  44 o -0.1624000     1.020000      ?             ?      
1 1 1 39 5  45 o -0.4667000     1.061000      ?             ?      
1 1 1 39 5  46 o 1.310000       1.071000      ?             ?      
1 1 1 39 5  47 o -0.6813000     1.107000      ?             ?      
1 1 1 39 5  48 o -1.565000      1.076000      ?             ?      
1 1 1 39 5  49 o -0.2157000     1.149000      ?             ?      
1 1 1 39 5  50 o -0.7964000     1.305000      ?             ?      
1 1 1 39 5  51 o -1.656000      1.561000      ?             ?      
1 1 1 39 5  52 o 2.721000       1.300000      ?             ?      
1 1 1 39 5  53 o -1.688000      1.360000      ?             ?      
1 1 1 39 5  54 o -0.8695000     1.418000      ?             ?      
1 1 1 39 6  0  f -0.4683000     1.272000      0.4304891     -90.0  
1 1 1 39 6  1  o 0.4277000      0.8996000     7.310933      146.9  
1 1 1 39 6  2  o -1.262000      0.9114000     104.1922      -95.9  
1 1 1 39 6  3  o -0.1663000     0.9241000     108.5499      -12.9  
1 1 1 39 6  4  o 0.8455000      0.9257000     108.3119      105.7  
1 1 1 39 6  5  o -0.3329000     0.9403000     107.7477      81.8   
1 1 1 39 6  6  o 0.6038000      0.9398000     184.1325      152.0  
1 1 1 39 6  7  o 2.412000       0.9580000     91.11666      -111.8 
1 1 1 39 6  8  o -0.5203000     0.9649000     132.5260      -95.8  
1 1 1 39 6  9  o -0.7568000     0.9873000     121.2379      133.0  
1 1 1 39 6  10 o 1.512000       1.038000      87.78635      -132.7 
1 1 1 39 6  11 o 0.3617000      1.073000      144.4472      -79.4  
1 1 1 39 6  12 o 4.016000       1.112000      256.7647      -62.7  
1 1 1 39 6  13 o 1.538000       1.108000      141.5107      65.6   
1 1 1 39 6  14 o -0.8521000     1.107000      15.55860      30.1   
1 1 1 39 6  15 o 0.2978000      1.122000      197.7263      85.0   
1 1 1 39 6  16 o -1.266000      1.176000      88.63699      -74.2  
1 1 1 39 6  17 o -0.9544000     1.054000      98.23801      118.9  
1 1 1 39 6  18 o 0.2412000      1.037000      39.39943      -21.2  
1 1 1 39 6  19 o -0.5152000     1.041000      55.61865      158.8  
1 1 1 39 6  20 o 0.2172000      1.128000      126.0123      10.2   
1 1 1 39 6  21 o 0.3455000      1.091000      52.16744      93.3   
1 1 1 39 6  22 o 0.4513000      1.126000      22.66916      -167.0 
1 1 1 39 6  23 o 1.589000       1.087000      182.0074      104.6  
1 1 1 39 6  24 o 0.6777000      1.057000      156.7471      109.1  
1 1 1 39 6  25 o -2.472000      1.090000      75.08243      101.3  
1 1 1 39 6  26 o 0.3992000      1.062000      111.9133      30.9   
1 1 1 39 6  27 o 0.2448000      1.196000      137.1360      -180.0 
1 1 1 39 6  28 o 0.2540000      1.238000      97.62389      73.8   
1 1 1 39 6  29 o -0.4633000     1.333000      97.48399      42.3   
1 1 1 39 6  30 o -1.200000      1.812000      ?             ?      
1 1 1 39 6  31 o -1.840000      1.499000      ?             ?      
1 1 1 39 6  32 o 1.657000       1.281000      ?             ?      
1 1 1 39 6  33 o 1.035000       1.042000      ?             ?      
1 1 1 39 6  34 o -0.4231000     1.069000      ?             ?      
1 1 1 39 6  35 o 1.743000       1.082000      ?             ?      
1 1 1 39 6  36 o -0.3660000     1.076000      ?             ?      
1 1 1 39 6  37 o 1.667000       1.494000      ?             ?      
1 1 1 39 6  38 o 0.8926000      1.100000      ?             ?      
1 1 1 39 6  39 o 0.5819000      1.050000      ?             ?      
1 1 1 39 6  40 o 0.4674000      0.9892000     ?             ?      
1 1 1 39 6  41 o 1.863000       0.9957000     ?             ?      
1 1 1 39 6  42 o 1.707000       1.002000      ?             ?      
1 1 1 39 6  43 o -0.7202000     1.003000      ?             ?      
1 1 1 39 6  44 o 1.065000       1.007000      ?             ?      
1 1 1 39 6  45 o 0.4592000      1.021000      ?             ?      
1 1 1 39 6  46 o 0.5480000      1.049000      ?             ?      
1 1 1 39 6  47 o -0.6573000     1.053000      ?             ?      
1 1 1 39 6  48 o 1.103000       1.088000      ?             ?      
1 1 1 39 6  49 o 0.8401000      1.171000      ?             ?      
1 1 1 39 6  50 o -0.4856000     1.435000      ?             ?      
1 1 1 39 6  51 o -0.3079000     1.404000      ?             ?      
1 1 1 39 6  52 o 1.408000       2.027000      ?             ?      
1 1 1 39 6  53 o -0.4494000E-01 1.251000      ?             ?      
1 1 1 39 6  54 o -1.397000      1.411000      ?             ?      
1 1 1 39 7  0  o -0.2807000     1.277000      91.30843      90.0   
1 1 1 39 7  1  o 1.044000       0.9047000     128.8466      77.7   
1 1 1 39 7  2  o 1.062000       0.9169000     162.9907      -165.3 
1 1 1 39 7  3  o 0.9909000      0.9282000     211.7925      -73.7  
1 1 1 39 7  4  o -0.3811000     0.9197000     105.0920      98.2   
1 1 1 39 7  5  o -0.6715000     0.9201000     74.32320      151.4  
1 1 1 39 7  6  o -0.4207000     0.9153000     28.99049      -131.3 
1 1 1 39 7  7  o 1.918000       0.9428000     146.8878      -1.1   
1 1 1 39 7  8  o 0.5052000      0.9555000     9.954378      79.2   
1 1 1 39 7  9  o 1.233000       1.054000      134.7514      -173.2 
1 1 1 39 7  10 o 0.2406000      1.021000      39.89408      -56.0  
1 1 1 39 7  11 o 0.2612000      1.081000      23.36522      -161.9 
1 1 1 39 7  12 o 0.8558000      1.097000      65.94327      0.5    
1 1 1 39 7  13 o -1.761000      1.117000      78.60808      15.3   
1 1 1 39 7  14 o 2.092000       1.131000      203.7686      93.5   
1 1 1 39 7  15 o 1.353000       1.131000      35.11814      -50.4  
1 1 1 39 7  16 o 2.598000       1.161000      209.7407      -170.7 
1 1 1 39 7  17 o -0.5017000     1.184000      135.8859      -53.9  
1 1 1 39 7  18 o 0.2741000      1.190000      180.4635      156.8  
1 1 1 39 7  19 o -0.2097000     1.103000      97.58533      -140.2 
1 1 1 39 7  20 o 0.3714000      1.141000      195.3751      -142.7 
1 1 1 39 7  21 o 1.675000       1.080000      166.9124      -169.5 
1 1 1 39 7  22 o 2.808000       1.065000      105.9952      172.8  
1 1 1 39 7  23 o 4.439000       1.083000      300.2097      -123.3 
1 1 1 39 7  24 o 1.539000       1.056000      129.8006      137.9  
1 1 1 39 7  25 o -0.3381000     1.048000      71.27509      -129.0 
1 1 1 39 7  26 o -0.3699000     1.203000      178.6835      -137.5 
1 1 1 39 7  27 o 1.070000       1.240000      45.75676      108.5  
1 1 1 39 7  28 o 0.1395000      1.292000      70.22930      110.4  
1 1 1 39 7  29 o -1.104000      1.198000      69.45958      53.4   
1 1 1 39 7  30 o 1.299000       1.563000      ?             ?      
1 1 1 39 7  31 o 0.9011000      1.253000      ?             ?      
1 1 1 39 7  32 o -0.2066000     1.206000      ?             ?      
1 1 1 39 7  33 o 1.311000       1.044000      ?             ?      
1 1 1 39 7  34 o 0.2983000      1.215000      ?             ?      
1 1 1 39 7  35 o -0.5970000     1.256000      ?             ?      
1 1 1 39 7  36 o 0.8865000      1.033000      ?             ?      
1 1 1 39 7  37 o 1.121000       1.130000      ?             ?      
1 1 1 39 7  38 o 0.7106000E-01  1.069000      ?             ?      
1 1 1 39 7  39 o -1.478000      1.064000      ?             ?      
1 1 1 39 7  40 o 0.3331000      0.9966000     ?             ?      
1 1 1 39 7  41 o -0.2336000     1.202000      ?             ?      
1 1 1 39 7  42 o -0.3360000     0.9833000     ?             ?      
1 1 1 39 7  43 o 0.3581000      1.015000      ?             ?      
1 1 1 39 7  44 o 2.143000       1.008000      ?             ?      
1 1 1 39 7  45 o 1.008000       1.009000      ?             ?      
1 1 1 39 7  46 o 0.1339000      1.048000      ?             ?      
1 1 1 39 7  47 o 0.7743000      1.072000      ?             ?      
1 1 1 39 7  48 o -1.293000      1.070000      ?             ?      
1 1 1 39 7  49 o 2.053000       1.114000      ?             ?      
1 1 1 39 7  50 o 0.7411000      1.548000      ?             ?      
1 1 1 39 7  51 o -1.569000      1.331000      ?             ?      
1 1 1 39 7  52 o 0.6702000E-01  1.326000      ?             ?      
1 1 1 39 7  53 o -1.096000      1.616000      ?             ?      
1 1 1 39 7  54 o 0.5011000      1.542000      ?             ?      
1 1 1 39 8  0  o -1.089000      1.321000      99.81919      -90.0  
1 1 1 39 8  1  o 2.531000       0.9431000     246.5488      69.8   
1 1 1 39 8  2  o 1.226000       0.9169000     133.6604      -57.2  
1 1 1 39 8  3  o 2.784000       0.9175000     101.7791      -124.2 
1 1 1 39 8  4  o 1.656000       0.9296000     123.3632      103.1  
1 1 1 39 8  5  f -0.3045000     0.9180000     97.18974      37.8   
1 1 1 39 8  6  o 0.3746000      0.9201000     154.1601      24.6   
1 1 1 39 8  7  o 1.339000       0.9283000     208.1422      -97.5  
1 1 1 39 8  8  o 0.1782000      0.9623000     84.33401      -109.1 
1 1 1 39 8  9  o 0.8797000      1.028000      90.43077      55.3   
1 1 1 39 8  10 f 1.187000       1.019000      80.16328      -118.0 
1 1 1 39 8  11 o 1.022000       1.046000      106.3972      -38.5  
1 1 1 39 8  12 o 2.248000       1.115000      144.5129      -18.4  
1 1 1 39 8  13 o 0.5090000      1.143000      222.2401      127.0  
1 1 1 39 8  14 o 0.1612000      1.150000      179.2385      -29.8  
1 1 1 39 8  15 o 0.6396000      1.147000      44.84678      137.1  
1 1 1 39 8  16 o 1.531000       1.182000      211.8755      -21.0  
1 1 1 39 8  17 o 2.635000       1.233000      126.1541      -104.0 
1 1 1 39 8  18 o 3.972000       1.133000      199.1717      -18.9  
1 1 1 39 8  19 o 2.516000       1.059000      192.6190      -111.6 
1 1 1 39 8  20 o 1.736000       1.053000      65.93591      -8.6   
1 1 1 39 8  21 o 2.215000       1.059000      184.1083      -91.6  
1 1 1 39 8  22 o 0.4981000      1.046000      119.7788      -36.5  
1 1 1 39 8  23 o 0.4520000      1.056000      57.18029      113.6  
1 1 1 39 8  24 o -0.3372000     1.053000      86.01675      -4.9   
1 1 1 39 8  25 o 0.3976000      1.045000      70.35650      167.2  
1 1 1 39 8  26 o 0.9582000      1.233000      17.66727      58.5   
1 1 1 39 8  27 o -0.5939000     1.233000      86.53027      162.1  
1 1 1 39 8  28 o -1.083000      1.339000      186.9190      102.9  
1 1 1 39 8  29 o 0.5573000      1.267000      96.33627      85.1   
1 1 1 39 8  30 o 3.012000       1.289000      ?             ?      
1 1 1 39 8  31 o -0.2154000     1.235000      ?             ?      
1 1 1 39 8  32 o -0.3288000     1.146000      ?             ?      
1 1 1 39 8  33 o -0.7708000     1.190000      ?             ?      
1 1 1 39 8  34 o 1.564000       1.037000      ?             ?      
1 1 1 39 8  35 o 0.1600000      1.078000      ?             ?      
1 1 1 39 8  36 o -1.698000      1.015000      ?             ?      
1 1 1 39 8  37 o 2.297000       1.064000      ?             ?      
1 1 1 39 8  38 o 1.144000       1.067000      ?             ?      
1 1 1 39 8  39 o -0.2336000     1.052000      ?             ?      
1 1 1 39 8  40 o 2.287000       1.043000      ?             ?      
1 1 1 39 8  41 o -1.241000      0.9756000     ?             ?      
1 1 1 39 8  42 o -0.4248000E-01 0.9813000     ?             ?      
1 1 1 39 8  43 o 0.6307000      1.013000      ?             ?      
1 1 1 39 8  44 o 0.5411000      1.002000      ?             ?      
1 1 1 39 8  45 o 0.2336000      1.009000      ?             ?      
1 1 1 39 8  46 o 1.416000       1.034000      ?             ?      
1 1 1 39 8  47 o -0.6895000     1.063000      ?             ?      
1 1 1 39 8  48 o 0.5991000      1.060000      ?             ?      
1 1 1 39 8  49 o -1.042000      1.249000      ?             ?      
1 1 1 39 8  50 o 3.194000       1.341000      ?             ?      
1 1 1 39 8  51 o -1.543000      1.244000      ?             ?      
1 1 1 39 8  52 o -0.8058000     1.244000      ?             ?      
1 1 1 39 8  53 o 1.230000       1.207000      ?             ?      
1 1 1 39 8  54 o -0.2957000     1.247000      ?             ?      
1 1 1 39 9  0  o 1.441000       1.351000      254.1987      90.0   
1 1 1 39 9  1  o 3.564000       0.9593000     204.0879      61.2   
1 1 1 39 9  2  o 0.9838000      0.9283000     142.0934      117.0  
1 1 1 39 9  3  o 1.032000       0.9040000     69.57966      -49.2  
1 1 1 39 9  4  o 2.347000       1.007000      180.6764      67.6   
1 1 1 39 9  5  o -0.9122000     0.9144000     67.47356      149.2  
1 1 1 39 9  6  o 1.681000       0.9228000     171.7796      104.2  
1 1 1 39 9  7  o 1.501000       0.9256000     135.1869      52.4   
1 1 1 39 9  8  o 1.472000       1.049000      150.0605      -72.4  
1 1 1 39 9  9  o 2.435000       1.037000      163.2704      120.2  
1 1 1 39 9  10 o 0.9904000E-01  1.088000      43.84572      31.6   
1 1 1 39 9  11 o 0.1036000      1.123000      20.00158      -63.0  
1 1 1 39 9  12 o 0.1559000      1.136000      64.09984      -64.0  
1 1 1 39 9  13 o 7.595000       1.236000      379.0256      76.4   
1 1 1 39 9  14 o 4.176000       1.235000      234.0629      133.9  
1 1 1 39 9  15 o 3.049000       1.188000      136.0086      -177.3 
1 1 1 39 9  16 o -0.2437000     1.162000      73.30638      -34.8  
1 1 1 39 9  17 o 3.755000       1.181000      234.7945      52.3   
1 1 1 39 9  18 o 3.951000       1.217000      168.2049      -172.6 
1 1 1 39 9  19 o 1.900000       1.065000      93.85946      170.6  
1 1 1 39 9  20 o 0.5079000      1.039000      108.2489      -41.8  
1 1 1 39 9  21 o -0.6953000     1.046000      30.24963      -18.4  
1 1 1 39 9  22 o 1.739000       1.048000      45.03303      -50.1  
1 1 1 39 9  23 o 1.219000       1.054000      171.2764      -100.4 
1 1 1 39 9  24 o 4.397000       1.076000      192.7114      169.7  
1 1 1 39 9  25 o 2.040000       1.081000      146.7560      -154.6 
1 1 1 39 9  26 o 0.5863000      1.238000      158.7119      -102.7 
1 1 1 39 9  27 o -1.939000      1.438000      40.24343      138.0  
1 1 1 39 9  28 o 1.981000       1.759000      166.9693      139.7  
1 1 1 39 9  29 o -0.7891000     1.578000      ?             ?      
1 1 1 39 9  30 o -0.1590000     1.375000      ?             ?      
1 1 1 39 9  31 o 1.083000       1.178000      ?             ?      
1 1 1 39 9  32 o -0.3628000     1.150000      ?             ?      
1 1 1 39 9  33 o 1.637000       1.191000      ?             ?      
1 1 1 39 9  34 o -0.1767000     1.013000      ?             ?      
1 1 1 39 9  35 o 0.5676000      1.036000      ?             ?      
1 1 1 39 9  36 o -0.9809000E-01 1.033000      ?             ?      
1 1 1 39 9  37 o 0.5874000      1.016000      ?             ?      
1 1 1 39 9  38 o 1.019000       1.063000      ?             ?      
1 1 1 39 9  39 o -0.6632000     1.053000      ?             ?      
1 1 1 39 9  40 o 0.2275000E-01  1.052000      ?             ?      
1 1 1 39 9  41 o -0.2961000     0.9693000     ?             ?      
1 1 1 39 9  42 o 1.010000       0.9935000     ?             ?      
1 1 1 39 9  43 o 1.795000       1.008000      ?             ?      
1 1 1 39 9  44 o -0.4478000     0.9895000     ?             ?      
1 1 1 39 9  45 o 0.5039000      1.006000      ?             ?      
1 1 1 39 9  46 o 0.6162000      1.020000      ?             ?      
1 1 1 39 9  47 o 0.9710000      1.015000      ?             ?      
1 1 1 39 9  48 o 0.2309000      1.064000      ?             ?      
1 1 1 39 9  49 o -0.1758000     1.232000      ?             ?      
1 1 1 39 9  50 o 1.981000       1.361000      ?             ?      
1 1 1 39 9  51 o -1.226000      1.223000      ?             ?      
1 1 1 39 9  52 o 0.5039000      1.196000      ?             ?      
1 1 1 39 9  53 o -0.2438000     1.121000      ?             ?      
1 1 1 39 9  54 o -0.1033000     1.140000      ?             ?      
1 1 1 39 10 0  o 1.294000       1.358000      10.69045      90.0   
1 1 1 39 10 1  o 8.216000       1.106000      283.4310      103.7  
1 1 1 39 10 2  o 0.9004000      0.9359000     131.6228      -78.8  
1 1 1 39 10 3  o 2.585000       0.9289000     223.4875      -153.8 
1 1 1 39 10 4  o 1.876000       0.9228000     124.2595      65.1   
1 1 1 39 10 5  o 1.199000       0.9254000     142.1779      93.7   
1 1 1 39 10 6  o 2.486000       0.9262000     74.23576      116.2  
1 1 1 39 10 7  o 7.657000       1.018000      292.7028      -133.4 
1 1 1 39 10 8  o 1.751000       1.109000      55.51068      133.7  
1 1 1 39 10 9  o 2.909000       1.062000      172.4699      64.1   
1 1 1 39 10 10 o 1.405000       1.059000      117.7996      -136.7 
1 1 1 39 10 11 o -0.3982000     1.101000      21.92248      20.8   
1 1 1 39 10 12 o 3.501000       1.233000      169.2128      -166.5 
1 1 1 39 10 13 o 0.6908000      1.194000      194.1095      -114.0 
1 1 1 39 10 14 o 4.941000       1.208000      241.5869      -145.8 
1 1 1 39 10 15 o 1.459000       1.162000      130.6325      168.0  
1 1 1 39 10 16 o 0.7514000      1.159000      74.11967      -89.7  
1 1 1 39 10 17 o 5.917000       1.204000      254.4287      -92.3  
1 1 1 39 10 18 o 0.8421000      1.168000      108.4717      -74.9  
1 1 1 39 10 19 o 0.3688000      1.172000      108.9991      -101.5 
1 1 1 39 10 20 o -1.008000      1.042000      36.65934      -14.7  
1 1 1 39 10 21 o 2.049000       1.051000      101.6750      -30.0  
1 1 1 39 10 22 o 1.222000       1.067000      151.6671      -3.4   
1 1 1 39 10 23 o 2.178000       1.070000      171.9226      -87.6  
1 1 1 39 10 24 o 2.768000       1.110000      108.2396      31.3   
1 1 1 39 10 25 o 3.443000       1.386000      190.2900      -110.8 
1 1 1 39 10 26 o 2.034000       1.237000      27.45984      65.1   
1 1 1 39 10 27 o 3.195000       1.878000      29.21242      73.8   
1 1 1 39 10 28 o 1.848000       1.223000      93.12177      91.8   
1 1 1 39 10 29 o 0.4123000      1.159000      ?             ?      
1 1 1 39 10 30 o 0.1261000      1.060000      ?             ?      
1 1 1 39 10 31 o -0.4780000     1.164000      ?             ?      
1 1 1 39 10 32 o -0.7473000     1.140000      ?             ?      
1 1 1 39 10 33 o 1.085000       1.187000      ?             ?      
1 1 1 39 10 34 o -2.069000      1.006000      ?             ?      
1 1 1 39 10 35 o -1.038000      1.024000      ?             ?      
1 1 1 39 10 36 o -0.9403000     1.043000      ?             ?      
1 1 1 39 10 37 o -0.1381000     1.028000      ?             ?      
1 1 1 39 10 38 o -0.6349000     1.056000      ?             ?      
1 1 1 39 10 39 o -0.9314000     1.095000      ?             ?      
1 1 1 39 10 40 o 0.5939000      1.050000      ?             ?      
1 1 1 39 10 41 o -0.4001000     1.026000      ?             ?      
1 1 1 39 10 42 o 0.8798000E-01  0.9760000     ?             ?      
1 1 1 39 10 43 o 0.6402000      0.9809000     ?             ?      
1 1 1 39 10 44 o 0.2663000      0.9878000     ?             ?      
1 1 1 39 10 45 o -0.5595000     1.000000      ?             ?      
1 1 1 39 10 46 o 0.9257000      0.9961000     ?             ?      
1 1 1 39 10 47 o 0.6931000      1.008000      ?             ?      
1 1 1 39 10 48 o 0.3965000      1.124000      ?             ?      
1 1 1 39 10 49 o 1.177000       1.253000      ?             ?      
1 1 1 39 10 50 o 0.7129000      1.214000      ?             ?      
1 1 1 39 10 51 o 0.7261000      1.217000      ?             ?      
1 1 1 39 10 52 o 1.272000       1.175000      ?             ?      
1 1 1 39 10 53 f -1.037000      1.119000      ?             ?      
1 1 1 39 10 54 o 4.444000       2.620000      ?             ?      
1 1 1 39 11 0  o 1.701000       1.351000      42.35146      90.0   
1 1 1 39 11 1  o 2.634000       0.9527000     165.6920      34.7   
1 1 1 39 11 2  o 1.590000       0.9303000     55.51584      85.2   
1 1 1 39 11 3  o -0.1490000     0.9188000     27.70927      -7.5   
1 1 1 39 11 4  o 1.569000       0.9079000     145.9289      149.4  
1 1 1 39 11 5  o -0.8557000     0.9410000     36.20958      -135.3 
1 1 1 39 11 6  o 1.850000       0.9689000     170.2798      10.6   
1 1 1 39 11 7  o 4.853000       1.095000      215.4924      133.7  
1 1 1 39 11 8  o 0.1637000      1.076000      197.8086      -165.9 
1 1 1 39 11 9  o 1.869000       1.105000      192.6840      105.6  
1 1 1 39 11 10 o 0.3764000      1.083000      116.3643      -98.1  
1 1 1 39 11 11 o 2.492000       1.079000      128.5439      -76.3  
1 1 1 39 11 12 o 1.607000       1.081000      113.6675      -29.5  
1 1 1 39 11 13 o 0.1416000E-01  1.166000      123.2215      -18.4  
1 1 1 39 11 14 o 2.723000       1.174000      178.8877      -121.5 
1 1 1 39 11 15 o 2.080000       1.156000      54.01365      -1.2   
1 1 1 39 11 16 o 5.626000       1.208000      234.6061      21.0   
1 1 1 39 11 17 o 3.939000       1.193000      241.2220      93.1   
1 1 1 39 11 18 o 1.100000       1.163000      103.9240      -169.5 
1 1 1 39 11 19 o -0.1142000     1.136000      50.02848      84.1   
1 1 1 39 11 20 o 2.351000       1.087000      147.4339      -33.2  
1 1 1 39 11 21 o 1.077000       1.058000      243.6975      122.6  
1 1 1 39 11 22 o 2.873000       1.104000      65.47703      58.6   
1 1 1 39 11 23 o -0.4337000     1.109000      50.50126      121.9  
1 1 1 39 11 24 o 1.593000       1.292000      101.3621      -19.3  
1 1 1 39 11 25 o 2.048000       1.437000      131.0946      -151.0 
1 1 1 39 11 26 o 4.269000       1.296000      199.7314      -30.1  
1 1 1 39 11 27 o 0.8658000E-01  1.424000      81.88231      147.5  
1 1 1 39 11 28 o -0.1602000     1.156000      ?             ?      
1 1 1 39 11 29 o 0.9339000      1.117000      ?             ?      
1 1 1 39 11 30 o 1.515000       1.019000      ?             ?      
1 1 1 39 11 31 o 0.1947000      1.150000      ?             ?      
1 1 1 39 11 32 o -0.4377000     1.141000      ?             ?      
1 1 1 39 11 33 o 0.6896000      1.146000      ?             ?      
1 1 1 39 11 34 o 0.3296000      1.042000      ?             ?      
1 1 1 39 11 35 o 0.5456000E-01  1.010000      ?             ?      
1 1 1 39 11 36 o 0.6686000      1.035000      ?             ?      
1 1 1 39 11 37 o 0.9318000      1.014000      ?             ?      
1 1 1 39 11 38 o -2.210000      1.011000      ?             ?      
1 1 1 39 11 39 o 0.7409000E-01  1.064000      ?             ?      
1 1 1 39 11 40 o -1.151000      1.036000      ?             ?      
1 1 1 39 11 41 o 0.5288000      1.054000      ?             ?      
1 1 1 39 11 42 o 0.4301000      0.9822000     ?             ?      
1 1 1 39 11 43 o -0.3307000     0.9662000     ?             ?      
1 1 1 39 11 44 o 0.3850000      0.9925000     ?             ?      
1 1 1 39 11 45 o -0.6033000     0.9738000     ?             ?      
1 1 1 39 11 46 o -0.8642000     0.9858000     ?             ?      
1 1 1 39 11 47 o 0.4468000      1.022000      ?             ?      
1 1 1 39 11 48 o -0.1982000E-01 1.126000      ?             ?      
1 1 1 39 11 49 o -0.6540000     1.198000      ?             ?      
1 1 1 39 11 50 o 1.462000       1.269000      ?             ?      
1 1 1 39 11 51 o 0.8119000E-01  1.164000      ?             ?      
1 1 1 39 11 52 o 0.4768000      1.112000      ?             ?      
1 1 1 39 11 53 o -0.8933000     1.125000      ?             ?      
1 1 1 39 12 0  o 0.8223000      1.357000      233.0864      90.0   
1 1 1 39 12 1  o 0.7473000      0.9466000     149.8435      -3.5   
1 1 1 39 12 2  o 1.150000       0.9754000     41.41232      -122.9 
1 1 1 39 12 3  o 0.5442000      0.9670000     216.3566      -147.4 
1 1 1 39 12 4  o 2.160000       0.9410000     196.6173      68.2   
1 1 1 39 12 5  o 3.462000       0.9417000     281.7609      159.6  
1 1 1 39 12 6  o 5.634000       1.050000      320.3157      -101.8 
1 1 1 39 12 7  o 3.962000       1.139000      174.5527      -136.0 
1 1 1 39 12 8  o 0.2138000      1.056000      119.9200      139.3  
1 1 1 39 12 9  o 0.1450000      1.059000      50.62811      -1.5   
1 1 1 39 12 10 o 2.517000       1.070000      121.7385      168.4  
1 1 1 39 12 11 o 0.4399000      1.068000      164.6562      36.7   
1 1 1 39 12 12 o 0.3401000      1.071000      68.34188      -131.6 
1 1 1 39 12 13 o 1.670000       1.159000      210.8726      -103.2 
1 1 1 39 12 14 o 0.8687000E-01  1.148000      153.3666      135.7  
1 1 1 39 12 15 o 0.3411000      1.143000      58.39320      -144.6 
1 1 1 39 12 16 o 3.698000       1.184000      213.4269      -139.7 
1 1 1 39 12 17 o 2.168000       1.166000      124.0903      -118.1 
1 1 1 39 12 18 o 1.387000       1.171000      72.87733      163.5  
1 1 1 39 12 19 o 0.2900000      1.282000      97.66414      26.1   
1 1 1 39 12 20 o 0.6517000      1.209000      152.9471      -131.0 
1 1 1 39 12 21 o 0.5876000      1.083000      101.7693      33.3   
1 1 1 39 12 22 o 0.6929000      1.181000      87.24722      -139.5 
1 1 1 39 12 23 o 1.649000       1.187000      38.45525      -176.5 
1 1 1 39 12 24 o -0.2925000     1.089000      9.693501      99.5   
1 1 1 39 12 25 o -2.138000      1.255000      28.09663      50.3   
1 1 1 39 12 26 o 1.371000       1.272000      72.63987      104.4  
1 1 1 39 12 27 o 2.148000       1.369000      75.92777      21.5   
1 1 1 39 12 28 o -0.5517000     1.100000      ?             ?      
1 1 1 39 12 29 o 2.666000       1.076000      ?             ?      
1 1 1 39 12 30 o 2.587000       1.013000      ?             ?      
1 1 1 39 12 31 o 0.5652000      1.161000      ?             ?      
1 1 1 39 12 32 o 1.031000       1.153000      ?             ?      
1 1 1 39 12 33 o 0.1790000      1.144000      ?             ?      
1 1 1 39 12 34 o -1.470000      1.249000      ?             ?      
1 1 1 39 12 35 o 0.5842000      1.032000      ?             ?      
1 1 1 39 12 36 o 1.439000       1.022000      ?             ?      
1 1 1 39 12 37 o -0.3167000     1.022000      ?             ?      
1 1 1 39 12 38 o 0.5512000      0.9957000     ?             ?      
1 1 1 39 12 39 o 0.5975000      1.004000      ?             ?      
1 1 1 39 12 40 o 0.5301000      1.096000      ?             ?      
1 1 1 39 12 41 f -0.8397000     1.050000      ?             ?      
1 1 1 39 12 42 o -0.1735000     1.029000      ?             ?      
1 1 1 39 12 43 o -0.3350000     0.9785000     ?             ?      
1 1 1 39 12 44 o 0.7038000      0.9832000     ?             ?      
1 1 1 39 12 45 o -0.4101000     0.9843000     ?             ?      
1 1 1 39 12 46 o 1.538000       1.003000      ?             ?      
1 1 1 39 12 47 o 1.361000       1.027000      ?             ?      
1 1 1 39 12 48 o -1.035000      1.181000      ?             ?      
1 1 1 39 12 49 o -0.3224000     1.169000      ?             ?      
1 1 1 39 12 50 o 1.058000       1.153000      ?             ?      
1 1 1 39 12 51 o -0.3402000     1.510000      ?             ?      
1 1 1 39 12 52 o -1.183000      1.107000      ?             ?      
1 1 1 39 12 53 o -0.4722000     1.115000      ?             ?      
1 1 1 39 13 0  o 1.510000       1.446000      41.73200      90.0   
1 1 1 39 13 1  o 2.812000       0.9955000     182.1677      -62.8  
1 1 1 39 13 2  o 0.9379000      0.9615000     158.5817      54.4   
1 1 1 39 13 3  o 1.257000       1.009000      284.6802      168.9  
1 1 1 39 13 4  o 2.280000       1.095000      174.5643      -130.0 
1 1 1 39 13 5  o 2.317000       0.9781000     252.5625      28.9   
1 1 1 39 13 6  o 2.007000       0.9869000     191.4946      -35.7  
1 1 1 39 13 7  o 2.429000       1.110000      31.60078      121.5  
1 1 1 39 13 8  o 7.538000       1.099000      326.8434      -77.1  
1 1 1 39 13 9  o 4.371000       1.076000      174.7334      -158.8 
1 1 1 39 13 10 o 1.128000       1.069000      121.7108      -114.1 
1 1 1 39 13 11 o 2.120000       1.092000      109.8445      -156.3 
1 1 1 39 13 12 o 4.208000       1.102000      277.2520      -34.4  
1 1 1 39 13 13 o -0.7705000     1.140000      58.14491      15.7   
1 1 1 39 13 14 o -0.5279000     1.133000      44.44992      -41.6  
1 1 1 39 13 15 o 0.1667000      1.164000      37.76009      -172.5 
1 1 1 39 13 16 o 0.6272000      1.193000      74.83075      102.7  
1 1 1 39 13 17 o 2.939000       1.189000      144.7885      123.7  
1 1 1 39 13 18 o 1.987000       1.146000      27.75443      -32.5  
1 1 1 39 13 19 o 0.8875000E-01  1.324000      68.93555      -86.3  
1 1 1 39 13 20 o -0.5125000     1.336000      85.56732      74.7   
1 1 1 39 13 21 o -0.9746000E-01 1.188000      109.6859      135.8  
1 1 1 39 13 22 o -0.7059000     1.066000      28.60710      76.7   
1 1 1 39 13 23 o -0.6223000     1.082000      72.51045      149.9  
1 1 1 39 13 24 o 0.9009000      1.220000      71.31579      -158.5 
1 1 1 39 13 25 o 0.4755000      1.259000      20.51192      146.5  
1 1 1 39 13 26 o 2.590000       1.386000      189.4949      27.2   
1 1 1 39 13 27 o -1.625000      1.163000      ?             ?      
1 1 1 39 13 28 o -0.4886000     1.097000      ?             ?      
1 1 1 39 13 29 o 1.308000       1.004000      ?             ?      
1 1 1 39 13 30 o 1.159000       0.9968000     ?             ?      
1 1 1 39 13 31 o -0.2719000     0.9991000     ?             ?      
1 1 1 39 13 32 o -0.5102000     1.147000      ?             ?      
1 1 1 39 13 33 o 0.2977000      1.208000      ?             ?      
1 1 1 39 13 34 o -1.393000      1.255000      ?             ?      
1 1 1 39 13 35 o -1.499000      1.032000      ?             ?      
1 1 1 39 13 36 o 1.116000       1.097000      ?             ?      
1 1 1 39 13 37 o 0.1810000      0.9745000     ?             ?      
1 1 1 39 13 38 o -1.192000      1.007000      ?             ?      
1 1 1 39 13 39 o -0.1736000     1.002000      ?             ?      
1 1 1 39 13 40 o 1.430000       1.068000      ?             ?      
1 1 1 39 13 41 o 0.2785000      1.049000      ?             ?      
1 1 1 39 13 42 o 1.168000       1.066000      ?             ?      
1 1 1 39 13 43 o 0.9268000      0.9904000     ?             ?      
1 1 1 39 13 44 o 0.8545000      0.9714000     ?             ?      
1 1 1 39 13 45 o 0.2114000      0.9855000     ?             ?      
1 1 1 39 13 46 o 0.1555000      1.005000      ?             ?      
1 1 1 39 13 47 o -1.007000      1.117000      ?             ?      
1 1 1 39 13 48 o 1.641000       1.190000      ?             ?      
1 1 1 39 13 49 o -0.9092000E-01 1.195000      ?             ?      
1 1 1 39 13 50 o 0.1616000      1.136000      ?             ?      
1 1 1 39 13 51 o 1.013000       1.069000      ?             ?      
1 1 1 39 13 52 o 0.3408000      1.109000      ?             ?      
1 1 1 39 13 53 o -0.2614000     1.344000      ?             ?      
1 1 1 39 14 0  o 0.5585000      1.346000      85.06380      90.0   
1 1 1 39 14 1  o 0.2013000      1.025000      128.3789      21.4   
1 1 1 39 14 2  o 0.5911000      1.184000      80.10809      101.3  
1 1 1 39 14 3  o 2.193000       1.069000      174.2144      -164.1 
1 1 1 39 14 4  o 0.2118000      0.9424000     104.6180      80.9   
1 1 1 39 14 5  o 1.922000       0.9206000     69.20066      53.4   
1 1 1 39 14 6  o -0.2324000     1.028000      99.96214      -179.2 
1 1 1 39 14 7  o 0.9902000E-01  1.022000      153.0682      41.9   
1 1 1 39 14 8  o 2.419000       1.069000      111.3764      -73.9  
1 1 1 39 14 9  o 2.367000       1.083000      236.0796      7.5    
1 1 1 39 14 10 o 0.3881000      1.072000      114.4962      -39.7  
1 1 1 39 14 11 o -0.1051000     1.074000      193.7132      73.7   
1 1 1 39 14 12 o -0.1469000     1.071000      84.21133      -168.1 
1 1 1 39 14 13 f 0.7665000      1.153000      168.7993      17.6   
1 1 1 39 14 14 o -0.6396000     1.201000      32.56212      -57.0  
1 1 1 39 14 15 o 2.263000       1.191000      223.1407      -133.5 
1 1 1 39 14 16 o 2.572000       1.192000      230.6478      -154.7 
1 1 1 39 14 17 o 2.257000       1.317000      39.17856      97.6   
1 1 1 39 14 18 o -0.6273000     1.340000      59.08782      60.6   
1 1 1 39 14 19 o -0.8368000     1.128000      52.83894      51.3   
1 1 1 39 14 20 o -0.2799000     1.125000      2.685469      -25.7  
1 1 1 39 14 21 o 2.525000       1.151000      76.46490      122.9  
1 1 1 39 14 22 o 3.023000       1.207000      236.7550      -135.0 
1 1 1 39 14 23 o 1.169000       1.099000      59.92442      126.1  
1 1 1 39 14 24 o -0.8380000     1.258000      44.81575      58.3   
1 1 1 39 14 25 o 2.942000       1.361000      96.11255      124.8  
1 1 1 39 14 26 o 0.4911000      1.349000      ?             ?      
1 1 1 39 14 27 o 1.944000       1.120000      ?             ?      
1 1 1 39 14 28 o 0.7514000E-01  1.047000      ?             ?      
1 1 1 39 14 29 o -0.9129000     0.9827000     ?             ?      
1 1 1 39 14 30 o -1.332000      0.9817000     ?             ?      
1 1 1 39 14 31 o -0.4756000E-01 0.9796000     ?             ?      
1 1 1 39 14 32 o 2.055000       1.138000      ?             ?      
1 1 1 39 14 33 o 0.8362000      1.221000      ?             ?      
1 1 1 39 14 34 o 1.122000       1.261000      ?             ?      
1 1 1 39 14 35 o 0.4115000      1.054000      ?             ?      
1 1 1 39 14 36 o 0.3807000      1.042000      ?             ?      
1 1 1 39 14 37 o 1.543000       1.027000      ?             ?      
1 1 1 39 14 38 o -0.9777000     0.9507000     ?             ?      
1 1 1 39 14 39 o 0.1539000      0.9993000     ?             ?      
1 1 1 39 14 40 o 0.6472000      1.025000      ?             ?      
1 1 1 39 14 41 o -0.6143000     1.133000      ?             ?      
1 1 1 39 14 42 f 1.504000       1.087000      ?             ?      
1 1 1 39 14 43 o 0.6571000      1.030000      ?             ?      
1 1 1 39 14 44 o 0.1630000      0.9613000     ?             ?      
1 1 1 39 14 45 o 1.795000       0.9771000     ?             ?      
1 1 1 39 14 46 o 1.813000       0.9952000     ?             ?      
1 1 1 39 14 47 o -0.5342000     1.149000      ?             ?      
1 1 1 39 14 48 o -1.294000      1.217000      ?             ?      
1 1 1 39 14 49 o 1.786000       1.129000      ?             ?      
1 1 1 39 14 50 o -0.6494000E-01 1.100000      ?             ?      
1 1 1 39 14 51 o 0.5111000      1.059000      ?             ?      
1 1 1 39 14 52 o -0.9468000     1.066000      ?             ?      
1 1 1 39 15 0  o -0.8115000     1.585000      10.12303      -90.0  
1 1 1 39 15 1  o -0.5289000     1.110000      139.0539      138.1  
1 1 1 39 15 2  o -0.6523000     0.9920000     111.3638      95.8   
1 1 1 39 15 3  o 2.091000       0.9666000     158.7813      -155.8 
1 1 1 39 15 4  o 1.414000       0.9496000     168.5606      -77.0  
1 1 1 39 15 5  o 2.103000       0.9911000     136.7716      62.2   
1 1 1 39 15 6  o -0.9777000     1.044000      11.52800      -34.6  
1 1 1 39 15 7  o 0.4652000      1.027000      100.5288      -89.7  
1 1 1 39 15 8  o -2.108000      1.039000      89.83849      27.3   
1 1 1 39 15 9  o 1.923000       1.065000      168.5305      127.2  
1 1 1 39 15 10 o 3.107000       1.090000      123.9357      144.0  
1 1 1 39 15 11 o -0.1128000     1.075000      62.24659      -100.4 
1 1 1 39 15 12 o -0.9772000     1.081000      29.88086      -104.7 
1 1 1 39 15 13 o -0.3885000E-01 1.054000      102.0894      114.3  
1 1 1 39 15 14 o -0.3027000     1.258000      103.6467      26.0   
1 1 1 39 15 15 o 0.1640000      1.284000      64.63493      -140.7 
1 1 1 39 15 16 o 0.3840000      1.161000      55.54994      -67.8  
1 1 1 39 15 17 o -0.5527000     1.158000      62.86304      98.9   
1 1 1 39 15 18 o 0.6767000      1.134000      86.11147      -142.6 
1 1 1 39 15 19 o 0.5631000      1.125000      34.15668      -115.0 
1 1 1 39 15 20 o 2.113000       1.127000      29.13086      -40.7  
1 1 1 39 15 21 o -1.022000      1.139000      79.55387      -122.5 
1 1 1 39 15 22 o 0.6763000      1.223000      65.48969      116.4  
1 1 1 39 15 23 f -0.7103000     1.220000      93.59700      -96.4  
1 1 1 39 15 24 o 1.229000       1.272000      119.6153      -148.8 
1 1 1 39 15 25 o 0.4004000      1.313000      66.77133      13.7   
1 1 1 39 15 26 o 0.1987000      1.136000      ?             ?      
1 1 1 39 15 27 o 1.025000       1.098000      ?             ?      
1 1 1 39 15 28 o 0.3336000      0.9973000     ?             ?      
1 1 1 39 15 29 o -0.1913000     0.9951000     ?             ?      
1 1 1 39 15 30 o 0.1179000      0.9894000     ?             ?      
1 1 1 39 15 31 o -1.539000      0.9911000     ?             ?      
1 1 1 39 15 32 o 0.2283000      1.199000      ?             ?      
1 1 1 39 15 33 o 1.441000       1.213000      ?             ?      
1 1 1 39 15 34 o 0.2340000      1.207000      ?             ?      
1 1 1 39 15 35 o -0.2641000     1.071000      ?             ?      
1 1 1 39 15 36 o 0.7825000      1.050000      ?             ?      
1 1 1 39 15 37 o 0.7813000      1.051000      ?             ?      
1 1 1 39 15 38 o 0.3661000      0.9635000     ?             ?      
1 1 1 39 15 39 o -0.6097000E-01 1.004000      ?             ?      
1 1 1 39 15 40 o -0.6163000     1.009000      ?             ?      
1 1 1 39 15 41 o 1.187000       1.096000      ?             ?      
1 1 1 39 15 42 o 0.4527000      1.082000      ?             ?      
1 1 1 39 15 43 o -0.8269000E-01 1.051000      ?             ?      
1 1 1 39 15 44 o 0.4202000      0.9590000     ?             ?      
1 1 1 39 15 45 o -1.231000      0.9582000     ?             ?      
1 1 1 39 15 46 o -0.3966000     1.090000      ?             ?      
1 1 1 39 15 47 o -1.090000      1.152000      ?             ?      
1 1 1 39 15 48 o -1.393000      1.155000      ?             ?      
1 1 1 39 15 49 o -0.8280000     1.108000      ?             ?      
1 1 1 39 15 50 o 0.7229000      1.052000      ?             ?      
1 1 1 39 15 51 o -1.485000      1.060000      ?             ?      
1 1 1 39 15 52 o -0.8180000     1.111000      ?             ?      
1 1 1 39 16 0  o -0.8679000     1.333000      20.51218      -90.0  
1 1 1 39 16 1  o 2.152000       0.9351000     82.18255      64.0   
1 1 1 39 16 2  o 0.7232000      0.9444000     72.13441      -101.1 
1 1 1 39 16 3  o 0.2052000      1.068000      84.49496      -19.7  
1 1 1 39 16 4  o 0.6464000      1.157000      79.93550      1.0    
1 1 1 39 16 5  o 1.527000       1.171000      204.2133      55.6   
1 1 1 39 16 6  o 1.026000       1.043000      151.3303      -167.0 
1 1 1 39 16 7  o -1.646000      1.044000      81.95793      -127.6 
1 1 1 39 16 8  o -1.131000      1.100000      50.50735      26.6   
1 1 1 39 16 9  o -0.4582000E-01 1.098000      124.3010      76.7   
1 1 1 39 16 10 o 0.1535000E-01  1.098000      90.93102      -133.1 
1 1 1 39 16 11 o -0.4477000     1.065000      52.56245      -85.5  
1 1 1 39 16 12 o 1.724000       1.139000      109.8374      35.5   
1 1 1 39 16 13 o 0.3323000      1.056000      140.0474      38.8   
1 1 1 39 16 14 o 0.4273000E-01  1.142000      49.28853      -160.6 
1 1 1 39 16 15 o 1.137000       1.159000      131.4302      -171.0 
1 1 1 39 16 16 o 0.5563000      1.150000      82.68439      -107.9 
1 1 1 39 16 17 o -0.2865000     1.134000      87.77571      0.3    
1 1 1 39 16 18 o 1.335000       1.140000      67.68861      64.9   
1 1 1 39 16 19 o 0.1635000      1.125000      81.77627      -2.7   
1 1 1 39 16 20 o 0.8031000      1.117000      70.47483      120.6  
1 1 1 39 16 21 o -1.218000      1.205000      56.74397      154.3  
1 1 1 39 16 22 o -1.297000      1.353000      84.68764      -21.9  
1 1 1 39 16 23 o -1.379000      1.420000      88.06174      34.8   
1 1 1 39 16 24 o 1.055000       1.349000      77.60591      -22.0  
1 1 1 39 16 25 o 0.1223000      1.345000      ?             ?      
1 1 1 39 16 26 o 0.7969000E-02  1.114000      ?             ?      
1 1 1 39 16 27 o 1.160000       1.080000      ?             ?      
1 1 1 39 16 28 o -0.4031000E-01 1.011000      ?             ?      
1 1 1 39 16 29 o 0.8401000E-01  0.9968000     ?             ?      
1 1 1 39 16 30 o 0.5225000      0.9895000     ?             ?      
1 1 1 39 16 31 o 0.7281000      0.9774000     ?             ?      
1 1 1 39 16 32 o 0.6060000      1.183000      ?             ?      
1 1 1 39 16 33 o -0.6767000     1.189000      ?             ?      
1 1 1 39 16 34 o -0.1046000     1.188000      ?             ?      
1 1 1 39 16 35 o 0.5650000      1.252000      ?             ?      
1 1 1 39 16 36 o -0.6019000     1.050000      ?             ?      
1 1 1 39 16 37 o -0.2384000     1.060000      ?             ?      
1 1 1 39 16 38 o 0.8852000      0.9750000     ?             ?      
1 1 1 39 16 39 o -1.438000      0.9587000     ?             ?      
1 1 1 39 16 40 o 0.9001000      1.005000      ?             ?      
1 1 1 39 16 41 o -0.5673000     1.045000      ?             ?      
1 1 1 39 16 42 o -0.4406000     1.126000      ?             ?      
1 1 1 39 16 43 o 2.609000       1.089000      ?             ?      
1 1 1 39 16 44 o 0.9144000      1.022000      ?             ?      
1 1 1 39 16 45 o -0.5523000     0.9679000     ?             ?      
1 1 1 39 16 46 o 1.710000       1.119000      ?             ?      
1 1 1 39 16 47 o 1.201000       1.139000      ?             ?      
1 1 1 39 16 48 o 0.1658000      1.101000      ?             ?      
1 1 1 39 16 49 o -1.438000      1.083000      ?             ?      
1 1 1 39 16 50 o 0.3488000      1.037000      ?             ?      
1 1 1 39 16 51 o -1.349000      1.053000      ?             ?      
1 1 1 39 16 52 o -0.6698000     2.144000      ?             ?      
1 1 1 39 17 0  o 0.8304000      1.346000      121.1922      90.0   
1 1 1 39 17 1  o 0.2883000      0.9413000     43.31136      -3.3   
1 1 1 39 17 2  o 0.8570000      0.9231000     4.827616      -135.6 
1 1 1 39 17 3  o 0.8066000      0.9404000     80.56216      -23.0  
1 1 1 39 17 4  o 1.314000       0.9488000     157.3770      84.5   
1 1 1 39 17 5  o 2.920000       1.103000      95.93182      74.9   
1 1 1 39 17 6  o 0.6042000      1.122000      65.79260      -102.2 
1 1 1 39 17 7  o 3.178000       1.216000      177.6932      -93.2  
1 1 1 39 17 8  o 1.454000       1.082000      68.17695      74.8   
1 1 1 39 17 9  o 0.2750000      1.120000      116.6303      114.3  
1 1 1 39 17 10 o -0.2235000     1.148000      82.47016      95.1   
1 1 1 39 17 11 o 1.374000       1.096000      31.31625      164.2  
1 1 1 39 17 12 o -0.6436000     1.086000      144.7142      96.9   
1 1 1 39 17 13 o 0.2177000      1.072000      65.87006      123.2  
1 1 1 39 17 14 o -0.1091000     1.153000      54.74374      47.4   
1 1 1 39 17 15 o -0.4093000     1.138000      31.39718      -121.8 
1 1 1 39 17 16 o 0.4163000      1.179000      104.3895      -22.1  
1 1 1 39 17 17 o 0.6021000      1.150000      49.65374      127.6  
1 1 1 39 17 18 o -0.9365000     1.134000      100.5280      -98.2  
1 1 1 39 17 19 o -0.1891000E-01 1.123000      54.56663      -101.0 
1 1 1 39 17 20 o 1.970000       1.200000      21.16005      81.4   
1 1 1 39 17 21 o -1.328000      1.207000      47.08553      -152.5 
1 1 1 39 17 22 o -0.4967000E-01 1.344000      113.9930      130.4  
1 1 1 39 17 23 o 0.3679000      1.454000      94.07079      -172.4 
1 1 1 39 17 24 o 1.147000       1.356000      ?             ?      
1 1 1 39 17 25 o 0.6193000      1.302000      ?             ?      
1 1 1 39 17 26 o -0.7524000     1.064000      ?             ?      
1 1 1 39 17 27 o 0.5462000E-01  1.063000      ?             ?      
1 1 1 39 17 28 o -0.6597000     1.008000      ?             ?      
1 1 1 39 17 29 o -0.3569000     0.9901000     ?             ?      
1 1 1 39 17 30 o -0.6564000     0.9791000     ?             ?      
1 1 1 39 17 31 o -0.3826000     0.9697000     ?             ?      
1 1 1 39 17 32 o -0.1494000     1.169000      ?             ?      
1 1 1 39 17 33 o 0.9953000E-01  1.166000      ?             ?      
1 1 1 39 17 34 o -1.214000      1.164000      ?             ?      
1 1 1 39 17 35 o -0.6301000     1.221000      ?             ?      
1 1 1 39 17 36 o -1.273000      1.042000      ?             ?      
1 1 1 39 17 37 o 0.1838000      1.045000      ?             ?      
1 1 1 39 17 38 o -1.057000      0.9825000     ?             ?      
1 1 1 39 17 39 o -0.1037000     0.9695000     ?             ?      
1 1 1 39 17 40 o -1.344000      1.015000      ?             ?      
1 1 1 39 17 41 o -0.3793000     1.031000      ?             ?      
1 1 1 39 17 42 o 0.8913000E-01  1.078000      ?             ?      
1 1 1 39 17 43 o 0.7091000      1.075000      ?             ?      
1 1 1 39 17 44 o 0.4987000      1.068000      ?             ?      
1 1 1 39 17 45 o -0.8129000     0.9872000     ?             ?      
1 1 1 39 17 46 o -0.9039000     1.123000      ?             ?      
1 1 1 39 17 47 o 1.877000       1.142000      ?             ?      
1 1 1 39 17 48 o -0.8431000     1.086000      ?             ?      
1 1 1 39 17 49 o -0.6086000     1.027000      ?             ?      
1 1 1 39 17 50 o 0.4801000      1.043000      ?             ?      
1 1 1 39 17 51 o -1.749000      1.086000      ?             ?      
1 1 1 39 18 0  o -1.125000      1.350000      51.83750      -90.0  
1 1 1 39 18 1  o -2.052000      0.9491000     58.72392      40.1   
1 1 1 39 18 2  o -0.9555000E-01 0.9950000     35.21285      -107.8 
1 1 1 39 18 3  o 1.787000       0.9682000     105.6337      152.5  
1 1 1 39 18 4  o -0.9926000E-01 1.022000      99.06010      106.1  
1 1 1 39 18 5  o -0.4138000     1.062000      17.32883      23.2   
1 1 1 39 18 6  o 3.225000       1.072000      101.2725      -83.2  
1 1 1 39 18 7  o -1.717000      1.091000      87.49625      6.7    
1 1 1 39 18 8  o 0.8200000      1.059000      99.86228      111.9  
1 1 1 39 18 9  o 1.237000       1.173000      80.63721      152.4  
1 1 1 39 18 10 o 0.2557000      1.176000      98.31512      -119.7 
1 1 1 39 18 11 o -0.7822000     1.065000      73.18371      125.1  
1 1 1 39 18 12 o -0.2553000     1.079000      73.71046      72.4   
1 1 1 39 18 13 o 0.1116000      1.097000      61.64424      136.0  
1 1 1 39 18 14 o 0.8667000      1.109000      18.50148      172.0  
1 1 1 39 18 15 o 0.7544000      1.184000      35.26318      91.6   
1 1 1 39 18 16 o 0.9810000      1.159000      82.83347      -31.1  
1 1 1 39 18 17 o 1.718000       1.167000      117.2655      61.5   
1 1 1 39 18 18 o -1.460000      1.145000      61.16850      3.9    
1 1 1 39 18 19 o -0.7079000     1.148000      43.10062      -15.0  
1 1 1 39 18 20 o 1.016000       1.213000      33.63312      90.4   
1 1 1 39 18 21 o -1.067000      1.357000      26.12416      -143.5 
1 1 1 39 18 22 o -0.2936000     1.423000      93.88686      -70.2  
1 1 1 39 18 23 o -2.565000      1.315000      ?             ?      
1 1 1 39 18 24 o 1.606000       1.337000      ?             ?      
1 1 1 39 18 25 o -2.173000      1.274000      ?             ?      
1 1 1 39 18 26 o 0.7895000      1.076000      ?             ?      
1 1 1 39 18 27 o -1.123000      0.9932000     ?             ?      
1 1 1 39 18 28 o 0.5234000      1.005000      ?             ?      
1 1 1 39 18 29 o 1.158000       1.002000      ?             ?      
1 1 1 39 18 30 o 1.748000       0.9756000     ?             ?      
1 1 1 39 18 31 o 0.5695000      0.9972000     ?             ?      
1 1 1 39 18 32 o -0.8729000     1.004000      ?             ?      
1 1 1 39 18 33 o 0.4244000      1.157000      ?             ?      
1 1 1 39 18 34 o -0.5912000     1.151000      ?             ?      
1 1 1 39 18 35 o -1.726000      1.209000      ?             ?      
1 1 1 39 18 36 o 1.261000       1.050000      ?             ?      
1 1 1 39 18 37 o -0.2748000     1.039000      ?             ?      
1 1 1 39 18 38 o 0.2740000      0.9812000     ?             ?      
1 1 1 39 18 39 o 0.4555000      0.9639000     ?             ?      
1 1 1 39 18 40 o 0.8631000      0.9977000     ?             ?      
1 1 1 39 18 41 o -0.9827000E-01 1.013000      ?             ?      
1 1 1 39 18 42 o -0.9285000     1.018000      ?             ?      
1 1 1 39 18 43 o -0.3110000     1.127000      ?             ?      
1 1 1 39 18 44 o -0.6152000     1.077000      ?             ?      
1 1 1 39 18 45 o -1.725000      1.212000      ?             ?      
1 1 1 39 18 46 o -1.797000      1.140000      ?             ?      
1 1 1 39 18 47 o -0.6761000E-01 1.074000      ?             ?      
1 1 1 39 18 48 o -0.4913000     1.051000      ?             ?      
1 1 1 39 18 49 o 0.4715000      1.029000      ?             ?      
1 1 1 39 18 50 o 0.3150000      1.033000      ?             ?      
1 1 1 39 18 51 o -0.3468000     1.336000      ?             ?      
1 1 1 39 19 0  o -0.2562000     1.485000      65.18867      90.0   
1 1 1 39 19 1  o 1.912000       1.151000      114.1316      -41.2  
1 1 1 39 19 2  o -0.5503000     1.044000      31.25317      -154.6 
1 1 1 39 19 3  o -0.5605000     0.9546000     50.86529      -29.4  
1 1 1 39 19 4  o -0.3542000     0.9967000     75.23876      93.5   
1 1 1 39 19 5  o -0.9610000     1.091000      86.12822      -33.5  
1 1 1 39 19 6  o 2.431000       1.029000      33.37482      -20.4  
1 1 1 39 19 7  o 1.172000       1.046000      69.38779      -128.4 
1 1 1 39 19 8  o 1.755000       1.057000      118.4865      84.2   
1 1 1 39 19 9  o 0.2091000      1.052000      28.43479      -129.1 
1 1 1 39 19 10 o 0.1953000      1.050000      29.43998      -133.5 
1 1 1 39 19 11 o 0.2257000      1.066000      44.86455      12.1   
1 1 1 39 19 12 o 0.8632000      1.203000      59.79937      163.3  
1 1 1 39 19 13 o -0.7575000     1.193000      36.13983      -176.6 
1 1 1 39 19 14 o 0.9396000      1.065000      11.65298      19.6   
1 1 1 39 19 15 o -0.8638000     1.179000      62.83078      -10.9  
1 1 1 39 19 16 o -2.072000      1.190000      48.58041      59.9   
1 1 1 39 19 17 o 0.7425000      1.157000      54.20394      -180.0 
1 1 1 39 19 18 o -0.9681000     1.153000      40.58053      -135.4 
1 1 1 39 19 19 o -1.491000      1.243000      37.33340      97.1   
1 1 1 39 19 20 o 1.713000       1.415000      8.741545      -64.8  
1 1 1 39 19 21 o -0.8610000     1.385000      34.79379      32.9   
1 1 1 39 19 22 o -1.350000      1.321000      ?             ?      
1 1 1 39 19 23 o -0.6582000     1.205000      ?             ?      
1 1 1 39 19 24 o -0.6049000E-01 1.297000      ?             ?      
1 1 1 39 19 25 o 0.2003000      1.210000      ?             ?      
1 1 1 39 19 26 o -0.4727000     1.223000      ?             ?      
1 1 1 39 19 27 o 0.1575000E-01  0.9991000     ?             ?      
1 1 1 39 19 28 o 1.012000       0.9970000     ?             ?      
1 1 1 39 19 29 o -1.082000      0.9796000     ?             ?      
1 1 1 39 19 30 o 0.1547000      0.9686000     ?             ?      
1 1 1 39 19 31 o -1.021000      0.9923000     ?             ?      
1 1 1 39 19 32 o 0.2401000      0.9971000     ?             ?      
1 1 1 39 19 33 o -1.445000      1.159000      ?             ?      
1 1 1 39 19 34 o -0.1299000     1.155000      ?             ?      
1 1 1 39 19 35 o -0.1958000     1.195000      ?             ?      
1 1 1 39 19 36 o -0.2792000E-01 1.039000      ?             ?      
1 1 1 39 19 37 o -1.361000      1.032000      ?             ?      
1 1 1 39 19 38 o 1.393000       1.027000      ?             ?      
1 1 1 39 19 39 o -1.249000      0.9802000     ?             ?      
1 1 1 39 19 40 o -1.295000      0.9841000     ?             ?      
1 1 1 39 19 41 o -0.2737000     1.013000      ?             ?      
1 1 1 39 19 42 o 0.8185000E-01  1.021000      ?             ?      
1 1 1 39 19 43 o 0.7388000      1.082000      ?             ?      
1 1 1 39 19 44 o -1.220000      1.104000      ?             ?      
1 1 1 39 19 45 o -0.7126000     1.266000      ?             ?      
1 1 1 39 19 46 o -1.025000      1.249000      ?             ?      
1 1 1 39 19 47 o -0.6006000     1.100000      ?             ?      
1 1 1 39 19 48 o -0.9954000     1.015000      ?             ?      
1 1 1 39 19 49 o 1.412000       1.022000      ?             ?      
1 1 1 39 19 50 o -0.3173000     1.070000      ?             ?      
1 1 1 39 20 0  o 1.843000       1.393000      19.25104      90.0   
1 1 1 39 20 1  o -0.5074000     1.059000      13.38133      51.6   
1 1 1 39 20 2  o 0.1383000      1.100000      16.49870      -44.2  
1 1 1 39 20 3  o -0.4009000     1.010000      62.64812      151.7  
1 1 1 39 20 4  o -1.478000      1.079000      65.06855      89.4   
1 1 1 39 20 5  o 0.7816000E-01  1.031000      46.55247      -120.0 
1 1 1 39 20 6  o 1.142000       1.032000      44.79173      24.1   
1 1 1 39 20 7  o -0.8434000     1.033000      36.70451      140.8  
1 1 1 39 20 8  o 0.5083000      1.051000      18.39689      -14.3  
1 1 1 39 20 9  o -0.4193000     1.044000      28.50395      101.8  
1 1 1 39 20 10 o 0.5642000      1.043000      13.78408      -92.3  
1 1 1 39 20 11 o -0.2628000     1.053000      20.13924      113.1  
1 1 1 39 20 12 o -0.9898000     1.054000      20.82940      -32.8  
1 1 1 39 20 13 o -0.3538000     1.056000      11.80742      14.0   
1 1 1 39 20 14 o -1.577000      1.057000      32.36319      69.0   
1 1 1 39 20 15 o 0.1816000      1.336000      32.35183      34.6   
1 1 1 39 20 16 o 0.5319000      1.347000      42.03090      51.4   
1 1 1 39 20 17 o -0.5507000E-01 1.151000      9.618755      -104.6 
1 1 1 39 20 18 o -1.893000      1.310000      12.84620      -31.3  
1 1 1 39 20 19 o 0.1531000      1.483000      19.53522      160.8  
1 1 1 39 20 20 o 2.008000       1.458000      4.131586      56.5   
1 1 1 39 20 21 o 0.1485000      1.437000      ?             ?      
1 1 1 39 20 22 o -0.2574000E-01 1.295000      ?             ?      
1 1 1 39 20 23 o -0.2718000     1.201000      ?             ?      
1 1 1 39 20 24 o -0.3986000     1.219000      ?             ?      
1 1 1 39 20 25 o -0.6566000     1.201000      ?             ?      
1 1 1 39 20 26 o 0.3449000      1.083000      ?             ?      
1 1 1 39 20 27 o -0.9914000     1.110000      ?             ?      
1 1 1 39 20 28 o 0.5882000      0.9828000     ?             ?      
1 1 1 39 20 29 o 0.8962000      0.9596000     ?             ?      
1 1 1 39 20 30 o 1.032000       0.9660000     ?             ?      
1 1 1 39 20 31 o 0.6270000      0.9951000     ?             ?      
1 1 1 39 20 32 o -0.1910000     0.9898000     ?             ?      
1 1 1 39 20 33 o 0.8599000      1.143000      ?             ?      
1 1 1 39 20 34 o 1.028000       1.147000      ?             ?      
1 1 1 39 20 35 o 0.2639000      1.148000      ?             ?      
1 1 1 39 20 36 o -1.289000      1.045000      ?             ?      
1 1 1 39 20 37 o 0.5811000      1.035000      ?             ?      
1 1 1 39 20 38 o -0.4539000     1.026000      ?             ?      
1 1 1 39 20 39 o 0.7919000      0.9830000     ?             ?      
1 1 1 39 20 40 o 0.1393000      0.9601000     ?             ?      
1 1 1 39 20 41 o 0.5075000      0.9728000     ?             ?      
1 1 1 39 20 42 o 0.2886000      1.022000      ?             ?      
1 1 1 39 20 43 o -1.381000      1.042000      ?             ?      
1 1 1 39 20 44 o -3.633000      1.456000      ?             ?      
1 1 1 39 20 45 o -2.287000      1.417000      ?             ?      
1 1 1 39 20 46 o 2.212000       1.239000      ?             ?      
1 1 1 39 20 47 o 0.4758000      1.063000      ?             ?      
1 1 1 39 20 48 o 0.4612000      1.033000      ?             ?      
1 1 1 39 20 49 o -1.214000      1.030000      ?             ?      
1 1 1 39 20 50 o -1.119000      1.322000      ?             ?      
1 1 1 39 21 0  o -1.289000      1.405000      5.871450      -90.0  
1 1 1 39 21 1  o 0.1676000      0.9884000     36.44983      -15.8  
1 1 1 39 21 2  o -1.370000      0.9644000     13.20982      -131.2 
1 1 1 39 21 3  o -0.2710000     0.9855000     31.85333      11.5   
1 1 1 39 21 4  o 0.8471000      1.277000      11.28510      12.5   
1 1 1 39 21 5  o -0.3325000     1.351000      21.67917      60.4   
1 1 1 39 21 6  o 0.2266000      1.124000      8.316371      43.7   
1 1 1 39 21 7  o 1.150000       1.044000      31.38093      84.8   
1 1 1 39 21 8  o 0.1108000      1.034000      19.77916      45.0   
1 1 1 39 21 9  o 0.9033000      1.054000      33.04731      -93.1  
1 1 1 39 21 10 o -1.789000      1.053000      34.15900      -134.8 
1 1 1 39 21 11 o 1.245000       1.049000      17.68826      172.2  
1 1 1 39 21 12 o -1.811000      1.049000      18.44453      -166.9 
1 1 1 39 21 13 o 1.807000       1.074000      9.310348      -2.6   
1 1 1 39 21 14 o 1.517000       1.059000      30.66605      -61.3  
1 1 1 39 21 15 o 0.3640000      1.138000      41.65345      56.5   
1 1 1 39 21 16 o 0.9048000      1.158000      20.19363      -154.0 
1 1 1 39 21 17 o -0.6808000     1.193000      21.18576      -100.6 
1 1 1 39 21 18 o -2.361000      1.577000      31.76876      34.1   
1 1 1 39 21 19 o 0.3722000      2.025000      ?             ?      
1 1 1 39 21 20 o -1.507000      1.468000      ?             ?      
1 1 1 39 21 21 o -0.9730000     1.320000      ?             ?      
1 1 1 39 21 22 o 0.1193000      1.207000      ?             ?      
1 1 1 39 21 23 o 2.077000       1.324000      ?             ?      
1 1 1 39 21 24 o -0.2196000     1.222000      ?             ?      
1 1 1 39 21 25 o -1.039000      1.204000      ?             ?      
1 1 1 39 21 26 o -0.6364000     1.076000      ?             ?      
1 1 1 39 21 27 o -1.095000      1.070000      ?             ?      
1 1 1 39 21 28 o -0.5462000     1.086000      ?             ?      
1 1 1 39 21 29 o -0.1209000     0.9541000     ?             ?      
1 1 1 39 21 30 o -0.6887000     0.9772000     ?             ?      
1 1 1 39 21 31 o 0.1553000      0.9860000     ?             ?      
1 1 1 39 21 32 o -0.1160000E-01 0.9758000     ?             ?      
1 1 1 39 21 33 o -1.115000      1.131000      ?             ?      
1 1 1 39 21 34 o -0.4682000     1.126000      ?             ?      
1 1 1 39 21 35 o 0.7502000      1.149000      ?             ?      
1 1 1 39 21 36 o -1.582000      1.186000      ?             ?      
1 1 1 39 21 37 o -0.4808000     1.026000      ?             ?      
1 1 1 39 21 38 o -1.237000      1.044000      ?             ?      
1 1 1 39 21 39 o -0.3476000     0.9748000     ?             ?      
1 1 1 39 21 40 o -0.5886000     0.9691000     ?             ?      
1 1 1 39 21 41 o -0.9203000     0.9788000     ?             ?      
1 1 1 39 21 42 o 1.341000       1.034000      ?             ?      
1 1 1 39 21 43 o -1.532000      1.089000      ?             ?      
1 1 1 39 21 44 o -1.980000      1.368000      ?             ?      
1 1 1 39 21 45 o -0.6297000     1.421000      ?             ?      
1 1 1 39 21 46 o 0.6155000E-01  1.236000      ?             ?      
1 1 1 39 21 47 o -2.089000      1.024000      ?             ?      
1 1 1 39 21 48 o -1.380000      1.028000      ?             ?      
1 1 1 39 21 49 o 0.3595000E-02  1.081000      ?             ?      
1 1 1 39 22 0  o -1.249000      1.387000      1.126587      90.0   
1 1 1 39 22 1  o 0.5319000      0.9984000     13.42430      115.9  
1 1 1 39 22 2  o 0.8788000      0.9777000     24.14116      111.1  
1 1 1 39 22 3  o -2.143000      1.113000      17.28557      81.4   
1 1 1 39 22 4  o 0.4711000E-02  1.117000      36.93575      108.7  
1 1 1 39 22 5  o -0.6978000     1.130000      30.43694      -125.0 
1 1 1 39 22 6  o -0.9836000     1.049000      39.20605      162.8  
1 1 1 39 22 7  o 0.3361000      1.175000      26.26508      40.2   
1 1 1 39 22 8  o -0.9356000     1.316000      25.38570      -49.9  
1 1 1 39 22 9  o -2.056000      1.152000      36.85637      -44.1  
1 1 1 39 22 10 o -0.2616000     1.059000      40.80607      -10.0  
1 1 1 39 22 11 o -1.052000      1.044000      6.476121      7.5    
1 1 1 39 22 12 o -0.8353000     1.062000      5.022882      -1.9   
1 1 1 39 22 13 o -0.9901000E-01 1.047000      12.81258      -49.3  
1 1 1 39 22 14 o 1.950000       1.064000      31.86044      164.4  
1 1 1 39 22 15 o 0.5328000      1.152000      32.17750      4.1    
1 1 1 39 22 16 o 1.045000       1.163000      15.07099      141.6  
1 1 1 39 22 17 o -2.505000      1.286000      16.75240      170.6  
1 1 1 39 22 18 o -3.114000      1.506000      ?             ?      
1 1 1 39 22 19 o -0.8881000     1.480000      ?             ?      
1 1 1 39 22 20 o -1.128000      1.321000      ?             ?      
1 1 1 39 22 21 o -2.401000      1.387000      ?             ?      
1 1 1 39 22 22 o -0.4023000     1.365000      ?             ?      
1 1 1 39 22 23 o -0.1912000     1.321000      ?             ?      
1 1 1 39 22 24 o 0.5522000      1.284000      ?             ?      
1 1 1 39 22 25 o -2.421000      1.156000      ?             ?      
1 1 1 39 22 26 o -0.1239000     1.090000      ?             ?      
1 1 1 39 22 27 o -0.3670000     1.060000      ?             ?      
1 1 1 39 22 28 o -0.1586000     1.048000      ?             ?      
1 1 1 39 22 29 o -0.4286000E-01 1.075000      ?             ?      
1 1 1 39 22 30 o 1.512000       0.9760000     ?             ?      
1 1 1 39 22 31 o -0.1379000E-01 0.9807000     ?             ?      
1 1 1 39 22 32 o 0.1731000      0.9766000     ?             ?      
1 1 1 39 22 33 o -0.2823000     1.113000      ?             ?      
1 1 1 39 22 34 o -0.1485000     1.120000      ?             ?      
1 1 1 39 22 35 o 1.456000       1.142000      ?             ?      
1 1 1 39 22 36 o 0.4342000      1.185000      ?             ?      
1 1 1 39 22 37 o -0.7435000     1.031000      ?             ?      
1 1 1 39 22 38 o -1.289000      1.043000      ?             ?      
1 1 1 39 22 39 o 0.6828000      0.9804000     ?             ?      
1 1 1 39 22 40 o -1.640000      0.9735000     ?             ?      
1 1 1 39 22 41 o 0.6952000      0.9928000     ?             ?      
1 1 1 39 22 42 o 1.267000       1.000000      ?             ?      
1 1 1 39 22 43 o -0.5367000     1.246000      ?             ?      
1 1 1 39 22 44 o 0.4218000E-01  1.454000      ?             ?      
1 1 1 39 22 45 o -0.5316000     1.351000      ?             ?      
1 1 1 39 22 46 o -0.6845000E-01 1.195000      ?             ?      
1 1 1 39 22 47 o -0.8843000     1.137000      ?             ?      
1 1 1 39 22 48 o -1.528000      1.039000      ?             ?      
1 1 1 39 22 49 o 0.3212000      1.308000      ?             ?      
1 1 1 39 23 0  o 0.2713000      1.371000      2.780677      -90.0  
1 1 1 39 23 1  o 1.249000       0.9859000     29.47066      -31.8  
1 1 1 39 23 2  o -0.5598000     0.9785000     37.90308      154.9  
1 1 1 39 23 3  o -2.047000      1.125000      14.79785      -50.2  
1 1 1 39 23 4  o -1.441000      1.090000      67.32126      58.2   
1 1 1 39 23 5  o -0.4416000     1.108000      14.03642      -145.1 
1 1 1 39 23 6  o -1.942000      1.042000      34.33705      81.5   
1 1 1 39 23 7  o -0.1927000     1.073000      28.25187      -15.5  
1 1 1 39 23 8  o 0.7346000      1.088000      65.59970      38.0   
1 1 1 39 23 9  o -1.213000      1.177000      41.62983      134.1  
1 1 1 39 23 10 o 0.4675000E-01  1.185000      29.96680      118.7  
1 1 1 39 23 11 o -0.8225000E-01 1.179000      19.19646      114.9  
1 1 1 39 23 12 o -1.030000      1.140000      15.99375      -180.0 
1 1 1 39 23 13 o -0.1312000     1.055000      24.37123      -71.7  
1 1 1 39 23 14 o -0.8124000     1.052000      26.35340      120.2  
1 1 1 39 23 15 o 0.4968000      1.068000      21.15724      47.6   
1 1 1 39 23 16 o -0.4070000     1.283000      ?             ?      
1 1 1 39 23 17 f 1.043000       1.502000      ?             ?      
1 1 1 39 23 18 o -2.993000      1.491000      ?             ?      
1 1 1 39 23 19 o 2.640000       1.523000      ?             ?      
1 1 1 39 23 20 o -1.331000      1.345000      ?             ?      
1 1 1 39 23 21 o -0.6893000     1.217000      ?             ?      
1 1 1 39 23 22 o -1.208000      1.336000      ?             ?      
1 1 1 39 23 23 o 2.409000       1.291000      ?             ?      
1 1 1 39 23 24 o 0.8257000      1.268000      ?             ?      
1 1 1 39 23 25 o -0.4158000     1.238000      ?             ?      
1 1 1 39 23 26 o -0.4148000     1.104000      ?             ?      
1 1 1 39 23 27 o 0.6925000E-01  1.111000      ?             ?      
1 1 1 39 23 28 o -0.2274000     1.103000      ?             ?      
1 1 1 39 23 29 o -1.595000      1.059000      ?             ?      
1 1 1 39 23 30 o 0.7702000      1.140000      ?             ?      
1 1 1 39 23 31 o -0.3641000     0.9719000     ?             ?      
1 1 1 39 23 32 o -0.3277000     0.9808000     ?             ?      
1 1 1 39 23 33 o -0.9383000     1.106000      ?             ?      
1 1 1 39 23 34 o 0.6455000      1.117000      ?             ?      
1 1 1 39 23 35 o 0.6286000E-01  1.122000      ?             ?      
1 1 1 39 23 36 o 0.6834000E-01  1.180000      ?             ?      
1 1 1 39 23 37 o -0.6018000     1.047000      ?             ?      
1 1 1 39 23 38 o -0.5729000     1.043000      ?             ?      
1 1 1 39 23 39 o -1.283000      1.033000      ?             ?      
1 1 1 39 23 40 o 0.1800000      0.9912000     ?             ?      
1 1 1 39 23 41 o 0.3356000E-01  0.9906000     ?             ?      
1 1 1 39 23 42 o -1.197000      1.039000      ?             ?      
1 1 1 39 23 43 o 0.3181000      1.279000      ?             ?      
1 1 1 39 23 44 o -1.325000      1.429000      ?             ?      
1 1 1 39 23 45 o 0.7022000      1.194000      ?             ?      
1 1 1 39 23 46 o -0.5532000E-01 1.146000      ?             ?      
1 1 1 39 23 47 o -0.5289000     1.141000      ?             ?      
1 1 1 39 23 48 o 0.2340000      1.512000      ?             ?      
1 1 1 39 24 0  o -0.5814000     1.410000      8.360136      -90.0  
1 1 1 39 24 1  o -1.307000      0.9821000     53.02942      165.9  
1 1 1 39 24 2  o 0.1543000      0.9996000     5.790412      -158.7 
1 1 1 39 24 3  o 3.189000       1.142000      57.74369      -139.5 
1 1 1 39 24 4  o 0.1414000      1.093000      36.78338      92.9   
1 1 1 39 24 5  o -0.8886000     1.109000      92.21519      147.8  
1 1 1 39 24 6  o -0.7602000     1.106000      50.09654      -103.0 
1 1 1 39 24 7  o -0.3152000     1.056000      47.39721      53.4   
1 1 1 39 24 8  o 0.1800000E-01  1.074000      70.90190      -1.0   
1 1 1 39 24 9  o -0.4061000     1.067000      21.96016      -121.4 
1 1 1 39 24 10 o -0.3758000     1.083000      68.36755      -171.3 
1 1 1 39 24 11 o 0.3775000      1.095000      29.98285      -166.7 
1 1 1 39 24 12 o -0.2474000     1.187000      33.50232      -5.5   
1 1 1 39 24 13 o 1.306000       1.206000      57.78155      -99.1  
1 1 1 39 24 14 o 0.1302000      1.149000      ?             ?      
1 1 1 39 24 15 o 0.5718000      1.146000      ?             ?      
1 1 1 39 24 16 o -0.7116000     1.499000      ?             ?      
1 1 1 39 24 17 o -0.8219000     1.505000      ?             ?      
1 1 1 39 24 18 o -0.3756000     1.510000      ?             ?      
1 1 1 39 24 19 o -0.1923000     1.322000      ?             ?      
1 1 1 39 24 20 o -0.4983000     1.236000      ?             ?      
1 1 1 39 24 21 o 0.4497000      1.224000      ?             ?      
1 1 1 39 24 22 o -2.045000      1.346000      ?             ?      
1 1 1 39 24 23 o 1.244000       1.304000      ?             ?      
1 1 1 39 24 24 o 0.7432000E-01  1.277000      ?             ?      
1 1 1 39 24 25 o -0.3448000     1.134000      ?             ?      
1 1 1 39 24 26 o -1.293000      1.116000      ?             ?      
1 1 1 39 24 27 o -0.6511000     1.207000      ?             ?      
1 1 1 39 24 28 o -1.403000      1.181000      ?             ?      
1 1 1 39 24 29 o -0.3089000     1.119000      ?             ?      
1 1 1 39 24 30 o -0.1664000     1.160000      ?             ?      
1 1 1 39 24 31 o -2.303000      1.213000      ?             ?      
1 1 1 39 24 32 o 0.6612000      0.9898000     ?             ?      
1 1 1 39 24 33 o -0.6630000     1.101000      ?             ?      
1 1 1 39 24 34 o 0.1483000      1.110000      ?             ?      
1 1 1 39 24 35 o 0.2381000      1.118000      ?             ?      
1 1 1 39 24 36 o 1.397000       1.185000      ?             ?      
1 1 1 39 24 37 f 0.3504000      1.065000      ?             ?      
1 1 1 39 24 38 o -0.8061000     1.041000      ?             ?      
1 1 1 39 24 39 o 2.030000       1.050000      ?             ?      
1 1 1 39 24 40 o -0.4113000     0.9876000     ?             ?      
1 1 1 39 24 41 o -0.5793000     0.9997000     ?             ?      
1 1 1 39 24 42 o -0.4776000     1.063000      ?             ?      
1 1 1 39 24 43 o 2.715000       1.241000      ?             ?      
1 1 1 39 24 44 o -0.3494000     1.192000      ?             ?      
1 1 1 39 24 45 o 2.054000       1.131000      ?             ?      
1 1 1 39 24 46 o 0.5088000      1.222000      ?             ?      
1 1 1 39 24 47 o -0.1850000     1.153000      ?             ?      
1 1 1 39 25 0  o -0.2844000     1.469000      26.76571      -90.0  
1 1 1 39 25 1  o 0.1592000      1.004000      26.99118      35.7   
1 1 1 39 25 2  o 1.068000       1.014000      29.99536      -86.4  
1 1 1 39 25 3  o 0.6939000      1.109000      10.36669      -71.6  
1 1 1 39 25 4  o -0.7446000     1.086000      77.43481      66.0   
1 1 1 39 25 5  o 1.296000       1.113000      65.47157      -161.3 
1 1 1 39 25 6  o -1.406000      1.113000      74.37990      98.2   
1 1 1 39 25 7  o 1.355000       1.113000      80.10033      -14.0  
1 1 1 39 25 8  o -0.4711000     1.064000      32.96545      -0.9   
1 1 1 39 25 9  o -1.189000      1.062000      44.27861      93.6   
1 1 1 39 25 10 o 0.4630000      1.087000      40.85800      -42.0  
1 1 1 39 25 11 o 0.7250000      1.075000      ?             ?      
1 1 1 39 25 12 o 1.495000       1.078000      ?             ?      
1 1 1 39 25 13 o 0.3203000      1.106000      ?             ?      
1 1 1 39 25 14 o 1.899000       1.117000      ?             ?      
1 1 1 39 25 15 o 0.3269000      1.318000      ?             ?      
1 1 1 39 25 16 o 2.455000       1.520000      ?             ?      
1 1 1 39 25 17 o -1.788000      1.506000      ?             ?      
1 1 1 39 25 18 o -0.6897000     1.517000      ?             ?      
1 1 1 39 25 19 o -2.022000      1.229000      ?             ?      
1 1 1 39 25 20 o 0.2278000      1.229000      ?             ?      
1 1 1 39 25 21 o 1.426000       1.368000      ?             ?      
1 1 1 39 25 22 o 0.7961000      1.294000      ?             ?      
1 1 1 39 25 23 o -0.9254000     1.301000      ?             ?      
1 1 1 39 25 24 o 0.9287000      1.145000      ?             ?      
1 1 1 39 25 25 o 1.522000       1.115000      ?             ?      
1 1 1 39 25 26 o -0.4846000     1.109000      ?             ?      
1 1 1 39 25 27 o -0.4273000     1.080000      ?             ?      
1 1 1 39 25 28 o -0.4766000     1.052000      ?             ?      
1 1 1 39 25 29 o 0.9805000      1.152000      ?             ?      
1 1 1 39 25 30 o -0.6434000     1.276000      ?             ?      
1 1 1 39 25 31 o 0.8859000E-01  1.266000      ?             ?      
1 1 1 39 25 32 o 1.653000       1.189000      ?             ?      
1 1 1 39 25 33 o -1.583000      1.173000      ?             ?      
1 1 1 39 25 34 o -0.3110000     1.178000      ?             ?      
1 1 1 39 25 35 o -2.172000      1.107000      ?             ?      
1 1 1 39 25 36 o 1.428000       1.195000      ?             ?      
1 1 1 39 25 37 o 0.7412000      1.099000      ?             ?      
1 1 1 39 25 38 o -0.5910000     1.049000      ?             ?      
1 1 1 39 25 39 o -0.1233000     1.047000      ?             ?      
1 1 1 39 25 40 o -0.6573000     0.9927000     ?             ?      
1 1 1 39 25 41 o 1.054000       1.046000      ?             ?      
1 1 1 39 25 42 o 0.3153000      1.169000      ?             ?      
1 1 1 39 25 43 o 0.1352000      1.225000      ?             ?      
1 1 1 39 25 44 o 0.1501000      1.132000      ?             ?      
1 1 1 39 25 45 o 0.4201000      1.131000      ?             ?      
1 1 1 39 25 46 o -0.7639000     1.105000      ?             ?      
1 1 1 39 25 47 o -1.761000      1.622000      ?             ?      
1 1 1 39 26 0  o 0.9560000E-02  1.466000      48.21000      90.0   
1 1 1 39 26 1  o -1.879000      1.041000      14.56330      127.3  
1 1 1 39 26 2  o 0.4537000      1.143000      142.4163      -65.7  
1 1 1 39 26 3  o -1.282000      1.094000      33.65931      -28.2  
1 1 1 39 26 4  o -0.2945000     1.113000      126.9081      76.3   
1 1 1 39 26 5  o 2.679000       1.120000      159.9916      146.5  
1 1 1 39 26 6  o 1.049000       1.112000      43.18824      -67.8  
1 1 1 39 26 7  o 1.871000       1.111000      ?             ?      
1 1 1 39 26 8  o 1.298000       1.117000      ?             ?      
1 1 1 39 26 9  o 1.662000       1.079000      ?             ?      
1 1 1 39 26 10 f 0.6672000      1.057000      ?             ?      
1 1 1 39 26 11 o 0.6185000      1.062000      ?             ?      
1 1 1 39 26 12 o -0.7432000     1.056000      ?             ?      
1 1 1 39 26 13 o -1.114000      1.075000      ?             ?      
1 1 1 39 26 14 o -0.6907000     1.174000      ?             ?      
1 1 1 39 26 15 o -2.048000      1.312000      ?             ?      
1 1 1 39 26 16 o -2.798000      1.548000      ?             ?      
1 1 1 39 26 17 o 2.056000       1.390000      ?             ?      
1 1 1 39 26 18 o -1.043000      1.296000      ?             ?      
1 1 1 39 26 19 o 0.4486000      1.540000      ?             ?      
1 1 1 39 26 20 o 0.9388000      1.334000      ?             ?      
1 1 1 39 26 21 o -0.7500000     1.375000      ?             ?      
1 1 1 39 26 22 o 0.8077000      1.303000      ?             ?      
1 1 1 39 26 23 o -1.657000      1.288000      ?             ?      
1 1 1 39 26 24 o -1.327000      1.133000      ?             ?      
1 1 1 39 26 25 o 1.817000       1.114000      ?             ?      
1 1 1 39 26 26 o -0.4274000     1.106000      ?             ?      
1 1 1 39 26 27 o -0.7712000     1.080000      ?             ?      
1 1 1 39 26 28 o 0.3905000      1.061000      ?             ?      
1 1 1 39 26 29 o 1.715000       1.127000      ?             ?      
1 1 1 39 26 30 o -1.592000      1.112000      ?             ?      
1 1 1 39 26 31 o 1.245000       1.126000      ?             ?      
1 1 1 39 26 32 o -0.7278000     1.132000      ?             ?      
1 1 1 39 26 33 o 0.6334000      2.124000      ?             ?      
1 1 1 39 26 34 o -0.3695000     1.201000      ?             ?      
1 1 1 39 26 35 o -1.056000      1.180000      ?             ?      
1 1 1 39 26 36 o -0.4863000     1.214000      ?             ?      
1 1 1 39 26 37 o 0.3163000      1.237000      ?             ?      
1 1 1 39 26 38 o -0.3731000     1.068000      ?             ?      
1 1 1 39 26 39 o 0.9825000      1.055000      ?             ?      
1 1 1 39 26 40 o -0.2431000E-01 1.047000      ?             ?      
1 1 1 39 26 41 o 1.904000       1.057000      ?             ?      
1 1 1 39 26 42 o -1.035000      1.195000      ?             ?      
1 1 1 39 26 43 o -1.075000      1.119000      ?             ?      
1 1 1 39 26 44 o -0.7394000     1.067000      ?             ?      
1 1 1 39 26 45 o 0.1140000E-01  1.105000      ?             ?      
1 1 1 39 26 46 o -1.942000      1.238000      ?             ?      
1 1 1 39 27 0  o 0.3032000      1.400000      ?             ?      
1 1 1 39 27 1  o 1.515000       0.9838000     ?             ?      
1 1 1 39 27 2  o -0.6770000     1.109000      ?             ?      
1 1 1 39 27 3  o -0.1104000     1.078000      ?             ?      
1 1 1 39 27 4  o -0.5503000     1.093000      ?             ?      
1 1 1 39 27 5  o -1.839000      1.108000      ?             ?      
1 1 1 39 27 6  o 0.5605000      1.121000      ?             ?      
1 1 1 39 27 7  o -0.4805000     1.095000      ?             ?      
1 1 1 39 27 8  o -0.2180000     1.119000      ?             ?      
1 1 1 39 27 9  o 3.056000       1.095000      ?             ?      
1 1 1 39 27 10 o -0.5600000E-01 1.033000      ?             ?      
1 1 1 39 27 11 o -1.872000      1.034000      ?             ?      
1 1 1 39 27 12 f -0.7469000     1.049000      ?             ?      
1 1 1 39 27 13 o 0.6897000      1.145000      ?             ?      
1 1 1 39 27 14 o -0.8414000     1.304000      ?             ?      
1 1 1 39 27 15 o 0.8948000      1.301000      ?             ?      
1 1 1 39 27 16 o 0.6973000      1.545000      ?             ?      
1 1 1 39 27 17 o 0.6447000      1.208000      ?             ?      
1 1 1 39 27 18 o 0.4534000E-01  1.229000      ?             ?      
1 1 1 39 27 19 o -0.1561000     1.228000      ?             ?      
1 1 1 39 27 20 o 0.6284000      1.247000      ?             ?      
1 1 1 39 27 21 o -0.1147000     1.507000      ?             ?      
1 1 1 39 27 22 o 0.6160000      2.010000      ?             ?      
1 1 1 39 27 23 o -0.1024000     1.274000      ?             ?      
1 1 1 39 27 24 o -0.6324000     1.128000      ?             ?      
1 1 1 39 27 25 o 1.753000       1.287000      ?             ?      
1 1 1 39 27 26 o 0.3489000      1.101000      ?             ?      
1 1 1 39 27 27 o 1.369000       1.075000      ?             ?      
1 1 1 39 27 28 o -0.2551000     1.056000      ?             ?      
1 1 1 39 27 29 o -1.841000      1.135000      ?             ?      
1 1 1 39 27 30 o 0.1652000      1.124000      ?             ?      
1 1 1 39 27 31 o 0.5969000      1.124000      ?             ?      
1 1 1 39 27 32 o -0.1094000     1.132000      ?             ?      
1 1 1 39 27 33 o 1.694000       1.478000      ?             ?      
1 1 1 39 27 34 o -1.367000      1.481000      ?             ?      
1 1 1 39 27 35 o 0.1905000      1.117000      ?             ?      
1 1 1 39 27 36 o -0.5162000     1.219000      ?             ?      
1 1 1 39 27 37 o 0.9503000      1.127000      ?             ?      
1 1 1 39 27 38 o -1.101000      1.065000      ?             ?      
1 1 1 39 27 39 o -0.3775000     1.227000      ?             ?      
1 1 1 39 27 40 o -1.542000      1.611000      ?             ?      
1 1 1 39 27 41 o 0.5008000      1.243000      ?             ?      
1 1 1 39 27 42 o -1.218000      1.202000      ?             ?      
1 1 1 39 27 43 o -0.1482000     1.063000      ?             ?      
1 1 1 39 27 44 o 0.3051000      1.249000      ?             ?      
1 1 1 39 27 45 o -1.184000      1.263000      ?             ?      
1 1 1 39 28 0  o -0.5648000     1.318000      ?             ?      
1 1 1 39 28 1  o -0.2424000     0.9548000     ?             ?      
1 1 1 39 28 2  o 0.5121000      1.095000      ?             ?      
1 1 1 39 28 3  o 0.9580000E-01  1.065000      ?             ?      
1 1 1 39 28 4  o 4.445000       1.107000      ?             ?      
1 1 1 39 28 5  o 4.326000       1.124000      ?             ?      
1 1 1 39 28 6  o -0.6332000     1.106000      ?             ?      
1 1 1 39 28 7  o 0.6054000      1.115000      ?             ?      
1 1 1 39 28 8  o 1.219000       1.095000      ?             ?      
1 1 1 39 28 9  o -0.7256000     1.089000      ?             ?      
1 1 1 39 28 10 o 0.8147000      1.022000      ?             ?      
1 1 1 39 28 11 o -1.278000      1.021000      ?             ?      
1 1 1 39 28 12 o 1.447000       1.122000      ?             ?      
1 1 1 39 28 13 o 1.186000       1.296000      ?             ?      
1 1 1 39 28 14 o -0.6037000     1.291000      ?             ?      
1 1 1 39 28 15 o 0.8410000      1.303000      ?             ?      
1 1 1 39 28 16 o -0.8852000     1.337000      ?             ?      
1 1 1 39 28 17 o 1.197000       1.191000      ?             ?      
1 1 1 39 28 18 o -0.3831000     1.232000      ?             ?      
1 1 1 39 28 19 o -2.026000      1.238000      ?             ?      
1 1 1 39 28 20 o 0.7676000      1.375000      ?             ?      
1 1 1 39 28 21 o -0.4303000     1.326000      ?             ?      
1 1 1 39 28 22 o 1.082000       1.320000      ?             ?      
1 1 1 39 28 23 o -0.1094000     1.147000      ?             ?      
1 1 1 39 28 24 o 0.9810000      1.236000      ?             ?      
1 1 1 39 28 25 o 1.601000       1.410000      ?             ?      
1 1 1 39 28 26 o -0.4493000     1.214000      ?             ?      
1 1 1 39 28 27 o 0.4241000      1.095000      ?             ?      
1 1 1 39 28 28 o 0.2460000      1.166000      ?             ?      
1 1 1 39 28 29 o -0.7027000     1.150000      ?             ?      
1 1 1 39 28 30 o -0.6943000     1.135000      ?             ?      
1 1 1 39 28 31 o -1.121000      1.117000      ?             ?      
1 1 1 39 28 32 o 0.9793000      1.134000      ?             ?      
1 1 1 39 28 33 o -1.862000      1.454000      ?             ?      
1 1 1 39 28 34 o 0.9671000      1.444000      ?             ?      
1 1 1 39 28 35 o -0.3970000     1.501000      ?             ?      
1 1 1 39 28 36 o 0.2755000E-01  1.151000      ?             ?      
1 1 1 39 28 37 o -1.118000      1.059000      ?             ?      
1 1 1 39 28 38 o -0.5561000     1.062000      ?             ?      
1 1 1 39 28 39 o -1.068000      1.168000      ?             ?      
1 1 1 39 28 40 o 0.3105000E-01  1.192000      ?             ?      
1 1 1 39 28 41 o -0.1413000     1.218000      ?             ?      
1 1 1 39 28 42 o 0.2674000      1.527000      ?             ?      
1 1 1 39 28 43 o 2.101000       1.412000      ?             ?      
1 1 1 39 28 44 o 1.401000       1.109000      ?             ?      
1 1 1 39 28 45 o 0.9926000E-01  2.599000      ?             ?      
1 1 1 39 29 0  o 0.8819000      1.319000      ?             ?      
1 1 1 39 29 1  o 1.029000       0.9618000     ?             ?      
1 1 1 39 29 2  o 1.714000       1.064000      ?             ?      
1 1 1 39 29 3  o 1.032000       1.060000      ?             ?      
1 1 1 39 29 4  o -1.696000      1.172000      ?             ?      
1 1 1 39 29 5  o 1.116000       1.085000      ?             ?      
1 1 1 39 29 6  o -0.9193000     1.111000      ?             ?      
1 1 1 39 29 7  o 1.695000       1.083000      ?             ?      
1 1 1 39 29 8  o 0.7571000      1.082000      ?             ?      
1 1 1 39 29 9  o 0.4503000      1.097000      ?             ?      
1 1 1 39 29 10 o 0.9190000      1.097000      ?             ?      
1 1 1 39 29 11 o 0.2961000      1.102000      ?             ?      
1 1 1 39 29 12 o -0.1153000     1.282000      ?             ?      
1 1 1 39 29 13 o 2.454000       1.308000      ?             ?      
1 1 1 39 29 14 o 2.103000       1.310000      ?             ?      
1 1 1 39 29 15 f -0.7696000E-01 1.179000      ?             ?      
1 1 1 39 29 16 o 0.2040000      1.098000      ?             ?      
1 1 1 39 29 17 o 2.539000       1.239000      ?             ?      
1 1 1 39 29 18 o 0.5672000      1.207000      ?             ?      
1 1 1 39 29 19 o -0.3017000     1.214000      ?             ?      
1 1 1 39 29 20 o 2.226000       1.342000      ?             ?      
1 1 1 39 29 21 o 1.320000       1.322000      ?             ?      
1 1 1 39 29 22 o 0.6386000      1.348000      ?             ?      
1 1 1 39 29 23 o -0.4457000     1.124000      ?             ?      
1 1 1 39 29 24 o -0.4927000     1.136000      ?             ?      
1 1 1 39 29 25 o 0.9046000      1.130000      ?             ?      
1 1 1 39 29 26 o 0.5992000      1.111000      ?             ?      
1 1 1 39 29 27 o 0.2433000      1.206000      ?             ?      
1 1 1 39 29 28 o -0.2057000     1.349000      ?             ?      
1 1 1 39 29 29 o -2.031000      1.316000      ?             ?      
1 1 1 39 29 30 o -1.211000      1.157000      ?             ?      
1 1 1 39 29 31 o -0.1310000     1.159000      ?             ?      
1 1 1 39 29 32 o 0.5250000      1.157000      ?             ?      
1 1 1 39 29 33 o 1.259000       1.456000      ?             ?      
1 1 1 39 29 34 o 0.7948000      1.449000      ?             ?      
1 1 1 39 29 35 o 0.9256000      1.461000      ?             ?      
1 1 1 39 29 36 o 0.3804000      1.513000      ?             ?      
1 1 1 39 29 37 o 1.613000       1.091000      ?             ?      
1 1 1 39 29 38 o -1.459000      1.102000      ?             ?      
1 1 1 39 29 39 o -0.5224000     1.685000      ?             ?      
1 1 1 39 29 40 o -1.353000      1.976000      ?             ?      
1 1 1 39 29 41 o 0.2674000      1.685000      ?             ?      
1 1 1 39 29 42 o 1.076000       1.148000      ?             ?      
1 1 1 39 29 43 f -0.9905000     1.104000      ?             ?      
1 1 1 39 29 44 o -0.5930000E-01 1.950000      ?             ?      
1 1 1 39 30 0  o 0.8235000      1.302000      ?             ?      
1 1 1 39 30 1  o 0.3021000      1.012000      ?             ?      
1 1 1 39 30 2  o -0.3328000     1.042000      ?             ?      
1 1 1 39 30 3  o -0.3288000     1.054000      ?             ?      
1 1 1 39 30 4  o 0.2135000      1.067000      ?             ?      
1 1 1 39 30 5  o 0.9595000      1.083000      ?             ?      
1 1 1 39 30 6  o 1.118000       1.092000      ?             ?      
1 1 1 39 30 7  o 1.140000       1.082000      ?             ?      
1 1 1 39 30 8  o -0.1481000E-01 1.081000      ?             ?      
1 1 1 39 30 9  o 0.6442000      1.087000      ?             ?      
1 1 1 39 30 10 o -0.5415000     1.084000      ?             ?      
1 1 1 39 30 11 o -1.384000      1.211000      ?             ?      
1 1 1 39 30 12 o -0.8275000     1.272000      ?             ?      
1 1 1 39 30 13 o 3.186000       1.306000      ?             ?      
1 1 1 39 30 14 o 0.5276000      1.169000      ?             ?      
1 1 1 39 30 15 o 0.3649000      1.062000      ?             ?      
1 1 1 39 30 16 o 0.1221000      1.078000      ?             ?      
1 1 1 39 30 17 o -0.1515000     1.189000      ?             ?      
1 1 1 39 30 18 o 1.508000       1.200000      ?             ?      
1 1 1 39 30 19 o -0.3884000     1.355000      ?             ?      
1 1 1 39 30 20 o -0.4445000     1.319000      ?             ?      
1 1 1 39 30 21 o 0.5086000      1.327000      ?             ?      
1 1 1 39 30 22 o 0.4296000      1.158000      ?             ?      
1 1 1 39 30 23 o 0.5107000      1.147000      ?             ?      
1 1 1 39 30 24 o -0.3500000     1.134000      ?             ?      
1 1 1 39 30 25 o -0.1281000     1.111000      ?             ?      
1 1 1 39 30 26 o -0.1177000     1.096000      ?             ?      
1 1 1 39 30 27 o 0.4234000E-01  1.106000      ?             ?      
1 1 1 39 30 28 o 2.001000       1.229000      ?             ?      
1 1 1 39 30 29 o 0.6885000E-01  1.173000      ?             ?      
1 1 1 39 30 30 o -0.3507000     1.187000      ?             ?      
1 1 1 39 30 31 o 2.280000       1.357000      ?             ?      
1 1 1 39 30 32 o 0.6602000      1.343000      ?             ?      
1 1 1 39 30 33 o 1.502000       1.518000      ?             ?      
1 1 1 39 30 34 o -0.6240000     1.444000      ?             ?      
1 1 1 39 30 35 o 0.9300000      1.459000      ?             ?      
1 1 1 39 30 36 o 2.244000       1.555000      ?             ?      
1 1 1 39 30 37 o 0.3855000      1.638000      ?             ?      
1 1 1 39 30 38 o 0.7501000E-01  1.449000      ?             ?      
1 1 1 39 30 39 o -0.5979000     1.539000      ?             ?      
1 1 1 39 30 40 o -2.309000      1.957000      ?             ?      
1 1 1 39 30 41 o 1.141000       1.181000      ?             ?      
1 1 1 39 30 42 o 2.222000       1.157000      ?             ?      
1 1 1 39 30 43 o 1.209000       1.247000      ?             ?      
1 1 1 39 31 0  o 0.2872000E-01  1.289000      ?             ?      
1 1 1 39 31 1  o -1.217000      1.050000      ?             ?      
1 1 1 39 31 2  o 0.8889000      1.019000      ?             ?      
1 1 1 39 31 3  o 1.061000       1.035000      ?             ?      
1 1 1 39 31 4  f 0.5718000      1.051000      ?             ?      
1 1 1 39 31 5  o 0.5782000      1.071000      ?             ?      
1 1 1 39 31 6  o 1.349000       1.071000      ?             ?      
1 1 1 39 31 7  o -0.6285000     1.090000      ?             ?      
1 1 1 39 31 8  o 0.9914000E-01  1.087000      ?             ?      
1 1 1 39 31 9  o 1.074000       1.092000      ?             ?      
1 1 1 39 31 10 o -0.3783000     1.193000      ?             ?      
1 1 1 39 31 11 o -2.815000      1.439000      ?             ?      
1 1 1 39 31 12 o -0.5106000     1.472000      ?             ?      
1 1 1 39 31 13 o -1.795000      1.281000      ?             ?      
1 1 1 39 31 14 o -2.404000      1.059000      ?             ?      
1 1 1 39 31 15 o -0.9124000     1.052000      ?             ?      
1 1 1 39 31 16 o -1.042000      1.123000      ?             ?      
1 1 1 39 31 17 o 0.7964000E-01  1.183000      ?             ?      
1 1 1 39 31 18 o -0.8201000     1.202000      ?             ?      
1 1 1 39 31 19 o 0.1240000      1.324000      ?             ?      
1 1 1 39 31 20 o 0.7689000E-01  1.293000      ?             ?      
1 1 1 39 31 21 o -0.2492000     1.164000      ?             ?      
1 1 1 39 31 22 o -0.9935000E-01 1.154000      ?             ?      
1 1 1 39 31 23 o 0.9164000      1.153000      ?             ?      
1 1 1 39 31 24 o -1.556000      1.127000      ?             ?      
1 1 1 39 31 25 o 0.7418000      1.139000      ?             ?      
1 1 1 39 31 26 o 0.9095000      1.112000      ?             ?      
1 1 1 39 31 27 o -0.8418000     1.104000      ?             ?      
1 1 1 39 31 28 o -0.1139000     1.207000      ?             ?      
1 1 1 39 31 29 o -1.642000      1.202000      ?             ?      
1 1 1 39 31 30 o -0.6577000E-02 1.227000      ?             ?      
1 1 1 39 31 31 o 0.5193000      1.240000      ?             ?      
1 1 1 39 31 32 o 1.060000       1.201000      ?             ?      
1 1 1 39 31 33 o -0.4860000     1.211000      ?             ?      
1 1 1 39 31 34 o -0.4997000     1.903000      ?             ?      
1 1 1 39 31 35 o -2.933000      1.946000      ?             ?      
1 1 1 39 31 36 o 1.109000       1.608000      ?             ?      
1 1 1 39 31 37 o 1.456000       2.258000      ?             ?      
1 1 1 39 31 38 o 0.1783000      1.433000      ?             ?      
1 1 1 39 31 39 o 1.070000       1.893000      ?             ?      
1 1 1 39 31 40 o -1.272000      1.407000      ?             ?      
1 1 1 39 31 41 o -0.7565000     1.078000      ?             ?      
1 1 1 39 31 42 o -0.1780000     1.314000      ?             ?      
1 1 1 39 32 0  o -0.1381000     1.264000      ?             ?      
1 1 1 39 32 1  o -0.9381000     1.026000      ?             ?      
1 1 1 39 32 2  o -2.030000      0.9894000     ?             ?      
1 1 1 39 32 3  o 0.5900000      1.011000      ?             ?      
1 1 1 39 32 4  o 0.5757000      1.038000      ?             ?      
1 1 1 39 32 5  o 2.373000       1.031000      ?             ?      
1 1 1 39 32 6  o -1.517000      1.044000      ?             ?      
1 1 1 39 32 7  o 0.6819000      1.090000      ?             ?      
1 1 1 39 32 8  o 0.6583000      1.089000      ?             ?      
1 1 1 39 32 9  o -0.7435000     1.192000      ?             ?      
1 1 1 39 32 10 o 0.5010000      1.453000      ?             ?      
1 1 1 39 32 11 o -0.3777000E-01 1.446000      ?             ?      
1 1 1 39 32 12 o 1.052000       1.473000      ?             ?      
1 1 1 39 32 13 o -0.2250000     1.146000      ?             ?      
1 1 1 39 32 14 o 2.103000       1.065000      ?             ?      
1 1 1 39 32 15 o -0.7065000E-01 1.065000      ?             ?      
1 1 1 39 32 16 o -0.6644000     1.098000      ?             ?      
1 1 1 39 32 17 o 0.1876000      1.178000      ?             ?      
1 1 1 39 32 18 o 0.2611000E-01  1.338000      ?             ?      
1 1 1 39 32 19 o 1.282000       1.313000      ?             ?      
1 1 1 39 32 20 o 0.7510000      1.299000      ?             ?      
1 1 1 39 32 21 o 0.5865000      1.182000      ?             ?      
1 1 1 39 32 22 o -0.5550000     1.165000      ?             ?      
1 1 1 39 32 23 o -0.8893000     1.147000      ?             ?      
1 1 1 39 32 24 o 0.6989000      1.149000      ?             ?      
1 1 1 39 32 25 o -0.3464000     1.156000      ?             ?      
1 1 1 39 32 26 o -0.3192000E-01 1.149000      ?             ?      
1 1 1 39 32 27 o 0.2514000      1.153000      ?             ?      
1 1 1 39 32 28 o 2.278000       1.236000      ?             ?      
1 1 1 39 32 29 o 1.091000       1.225000      ?             ?      
1 1 1 39 32 30 o 0.1658000      1.233000      ?             ?      
1 1 1 39 32 31 o -0.7158000     1.201000      ?             ?      
1 1 1 39 32 32 o -2.944000      1.208000      ?             ?      
1 1 1 39 32 33 o 1.125000       1.251000      ?             ?      
1 1 1 39 32 34 o -0.4431000     1.538000      ?             ?      
1 1 1 39 32 35 o 1.560000       1.581000      ?             ?      
1 1 1 39 32 36 o 1.544000       1.280000      ?             ?      
1 1 1 39 32 37 o -1.074000      2.186000      ?             ?      
1 1 1 39 32 38 o 1.217000       1.513000      ?             ?      
1 1 1 39 32 39 o -0.7276000     1.553000      ?             ?      
1 1 1 39 32 40 o 0.4674000      1.517000      ?             ?      
1 1 1 39 32 41 o -2.426000      1.294000      ?             ?      
1 1 1 39 33 0  o -1.010000      1.257000      ?             ?      
1 1 1 39 33 1  o -0.1604000     1.015000      ?             ?      
1 1 1 39 33 2  o -0.6412000     0.9842000     ?             ?      
1 1 1 39 33 3  o 1.656000       1.028000      ?             ?      
1 1 1 39 33 4  o 0.1852000      1.001000      ?             ?      
1 1 1 39 33 5  o 0.4700000      1.015000      ?             ?      
1 1 1 39 33 6  o -0.9448000     1.031000      ?             ?      
1 1 1 39 33 7  o -0.6570000E-01 1.074000      ?             ?      
1 1 1 39 33 8  o -0.5686000     1.182000      ?             ?      
1 1 1 39 33 9  o -0.4070000     1.445000      ?             ?      
1 1 1 39 33 10 o 1.245000       1.454000      ?             ?      
1 1 1 39 33 11 o 1.667000       1.477000      ?             ?      
1 1 1 39 33 12 o -1.472000      1.279000      ?             ?      
1 1 1 39 33 13 o 0.8633000      1.131000      ?             ?      
1 1 1 39 33 14 o 2.395000       1.148000      ?             ?      
1 1 1 39 33 15 o 0.7401000      1.091000      ?             ?      
1 1 1 39 33 16 o 0.2396000      1.090000      ?             ?      
1 1 1 39 33 17 o -2.840000      1.193000      ?             ?      
1 1 1 39 33 18 o 2.332000       1.331000      ?             ?      
1 1 1 39 33 19 o -0.1607000E-01 1.295000      ?             ?      
1 1 1 39 33 20 o 2.453000       1.330000      ?             ?      
1 1 1 39 33 21 o 1.271000       1.186000      ?             ?      
1 1 1 39 33 22 o 0.8390000      1.174000      ?             ?      
1 1 1 39 33 23 o 2.348000       1.170000      ?             ?      
1 1 1 39 33 24 o 0.7084000      1.155000      ?             ?      
1 1 1 39 33 25 o 0.7511000      1.182000      ?             ?      
1 1 1 39 33 26 o 0.5117000      1.164000      ?             ?      
1 1 1 39 33 27 o 0.1347000      1.172000      ?             ?      
1 1 1 39 33 28 o 1.357000       1.300000      ?             ?      
1 1 1 39 33 29 o 1.397000       1.283000      ?             ?      
1 1 1 39 33 30 o 0.3994000      1.221000      ?             ?      
1 1 1 39 33 31 o 0.9685000      1.251000      ?             ?      
1 1 1 39 33 32 o -0.3264000     1.265000      ?             ?      
1 1 1 39 33 33 o 0.8748000      1.239000      ?             ?      
1 1 1 39 33 34 o -1.105000      1.512000      ?             ?      
1 1 1 39 33 35 o -1.145000      1.562000      ?             ?      
1 1 1 39 33 36 o -0.1840000     2.145000      ?             ?      
1 1 1 39 33 37 o -2.065000      1.424000      ?             ?      
1 1 1 39 33 38 o -0.9478000     1.525000      ?             ?      
1 1 1 39 33 39 o 0.1297000      1.458000      ?             ?      
1 1 1 39 33 40 o -0.8056000     1.738000      ?             ?      
1 1 1 39 34 0  o 0.3468000      1.258000      ?             ?      
1 1 1 39 34 1  o -0.2764000     0.9877000     ?             ?      
1 1 1 39 34 2  o -0.9739000E-01 1.010000      ?             ?      
1 1 1 39 34 3  o -0.9013000     0.9869000     ?             ?      
1 1 1 39 34 4  o -0.8736000     0.9964000     ?             ?      
1 1 1 39 34 5  o -0.7289000     0.9951000     ?             ?      
1 1 1 39 34 6  o -0.1161000     1.027000      ?             ?      
1 1 1 39 34 7  o 1.249000       1.171000      ?             ?      
1 1 1 39 34 8  o -0.5824000     1.444000      ?             ?      
1 1 1 39 34 9  o 1.122000       1.480000      ?             ?      
1 1 1 39 34 10 o 1.305000       1.481000      ?             ?      
1 1 1 39 34 11 o 1.148000       1.291000      ?             ?      
1 1 1 39 34 12 o 0.1638000      1.126000      ?             ?      
1 1 1 39 34 13 o -0.2682000     1.131000      ?             ?      
1 1 1 39 34 14 o 0.4061000E-01  1.141000      ?             ?      
1 1 1 39 34 15 o 0.4645000      1.183000      ?             ?      
1 1 1 39 34 16 o 1.175000       1.099000      ?             ?      
1 1 1 39 34 17 o 1.943000       1.344000      ?             ?      
1 1 1 39 34 18 o 0.8550000      1.319000      ?             ?      
1 1 1 39 34 19 o 0.2646000      1.332000      ?             ?      
1 1 1 39 34 20 o -1.191000      1.166000      ?             ?      
1 1 1 39 34 21 o 1.561000       1.187000      ?             ?      
1 1 1 39 34 22 o -1.576000      1.156000      ?             ?      
1 1 1 39 34 23 o -0.4692000     1.158000      ?             ?      
1 1 1 39 34 24 o -2.357000      1.154000      ?             ?      
1 1 1 39 34 25 o -0.7130000     1.170000      ?             ?      
1 1 1 39 34 26 o -1.659000      1.159000      ?             ?      
1 1 1 39 34 27 o -0.1534000     1.305000      ?             ?      
1 1 1 39 34 28 o 1.134000       1.313000      ?             ?      
1 1 1 39 34 29 o 1.833000       1.317000      ?             ?      
1 1 1 39 34 30 o 1.231000       1.309000      ?             ?      
1 1 1 39 34 31 o 1.524000       1.219000      ?             ?      
1 1 1 39 34 32 o -0.3848000     1.222000      ?             ?      
1 1 1 39 34 33 o 2.191000       1.266000      ?             ?      
1 1 1 39 34 34 o 1.932000       1.566000      ?             ?      
1 1 1 39 34 35 o 0.8682000E-01  2.148000      ?             ?      
1 1 1 39 34 36 o 0.7558000      2.117000      ?             ?      
1 1 1 39 34 37 o -0.7817000     1.632000      ?             ?      
1 1 1 39 34 38 o -1.042000      1.543000      ?             ?      
1 1 1 39 34 39 o 6.069000       4.184000      ?             ?      
1 1 1 39 35 0  o 1.078000       1.308000      ?             ?      
1 1 1 39 35 1  o -0.6380000     0.9976000     ?             ?      
1 1 1 39 35 2  o 1.309000       1.022000      ?             ?      
1 1 1 39 35 3  o -0.2162000     0.9973000     ?             ?      
1 1 1 39 35 4  o -1.208000      1.001000      ?             ?      
1 1 1 39 35 5  o 0.7026000      1.006000      ?             ?      
1 1 1 39 35 6  o -1.064000      1.124000      ?             ?      
1 1 1 39 35 7  o -1.398000      1.444000      ?             ?      
1 1 1 39 35 8  o -0.7917000     1.448000      ?             ?      
1 1 1 39 35 9  o -1.669000      1.458000      ?             ?      
1 1 1 39 35 10 o 1.093000       1.336000      ?             ?      
1 1 1 39 35 11 o -0.4621000     1.137000      ?             ?      
1 1 1 39 35 12 o 0.1368000      1.123000      ?             ?      
1 1 1 39 35 13 o -0.8401000     1.126000      ?             ?      
1 1 1 39 35 14 o 1.846000       1.178000      ?             ?      
1 1 1 39 35 15 o -0.1177000     1.173000      ?             ?      
1 1 1 39 35 16 o -0.5331000     1.196000      ?             ?      
1 1 1 39 35 17 o 0.2142000      1.351000      ?             ?      
1 1 1 39 35 18 o 0.4725000      1.333000      ?             ?      
1 1 1 39 35 19 o -0.7573000     1.320000      ?             ?      
1 1 1 39 35 20 o -0.3062000     1.174000      ?             ?      
1 1 1 39 35 21 o 2.195000       1.180000      ?             ?      
1 1 1 39 35 22 o -0.1457000     1.173000      ?             ?      
1 1 1 39 35 23 o -1.728000      1.148000      ?             ?      
1 1 1 39 35 24 o -0.4983000     1.157000      ?             ?      
1 1 1 39 35 25 o -0.3786000     1.289000      ?             ?      
1 1 1 39 35 26 o 0.7754000      1.213000      ?             ?      
1 1 1 39 35 27 o 0.2202000      1.352000      ?             ?      
1 1 1 39 35 28 o 0.9854000      1.310000      ?             ?      
1 1 1 39 35 29 o 0.3629000      1.294000      ?             ?      
1 1 1 39 35 30 o 0.1287000      1.282000      ?             ?      
1 1 1 39 35 31 o 0.6374000      1.254000      ?             ?      
1 1 1 39 35 32 o 1.018000       1.281000      ?             ?      
1 1 1 39 35 33 o -0.2866000E-01 1.281000      ?             ?      
1 1 1 39 35 34 o -2.002000      1.582000      ?             ?      
1 1 1 39 35 35 o 0.1325000      2.185000      ?             ?      
1 1 1 39 35 36 o 1.770000       2.244000      ?             ?      
1 1 1 39 35 37 o -2.452000      1.672000      ?             ?      
1 1 1 39 36 0  o -1.648000      1.333000      ?             ?      
1 1 1 39 36 1  o -0.7599000     0.9802000     ?             ?      
1 1 1 39 36 2  o 0.1479000      1.017000      ?             ?      
1 1 1 39 36 3  o 0.5581000      1.007000      ?             ?      
1 1 1 39 36 4  o -0.3240000     0.9960000     ?             ?      
1 1 1 39 36 5  o 0.7926000      1.020000      ?             ?      
1 1 1 39 36 6  f 0.4001000E-01  1.398000      ?             ?      
1 1 1 39 36 7  o -1.240000      1.438000      ?             ?      
1 1 1 39 36 8  o 1.136000       1.445000      ?             ?      
1 1 1 39 36 9  o 0.2539000      1.461000      ?             ?      
1 1 1 39 36 10 o -0.2573000     1.268000      ?             ?      
1 1 1 39 36 11 o 1.549000       1.271000      ?             ?      
1 1 1 39 36 12 o 0.1341000      1.122000      ?             ?      
1 1 1 39 36 13 o -1.091000      1.131000      ?             ?      
1 1 1 39 36 14 o 1.061000       1.181000      ?             ?      
1 1 1 39 36 15 o -0.1533000     1.183000      ?             ?      
1 1 1 39 36 16 o 1.641000       1.346000      ?             ?      
1 1 1 39 36 17 o 1.592000       1.540000      ?             ?      
1 1 1 39 36 18 o -1.281000      1.316000      ?             ?      
1 1 1 39 36 19 o -1.721000      1.167000      ?             ?      
1 1 1 39 36 20 o -0.6998000     1.155000      ?             ?      
1 1 1 39 36 21 o -1.003000      1.173000      ?             ?      
1 1 1 39 36 22 o 0.4648000      1.189000      ?             ?      
1 1 1 39 36 23 o 0.2222000      1.180000      ?             ?      
1 1 1 39 36 24 o -0.7928000E-01 1.198000      ?             ?      
1 1 1 39 36 25 o 0.3000000      1.210000      ?             ?      
1 1 1 39 36 26 o -1.152000      1.162000      ?             ?      
1 1 1 39 36 27 o 1.754000       1.342000      ?             ?      
1 1 1 39 36 28 o 0.2856000      1.310000      ?             ?      
1 1 1 39 36 29 o 0.5982000      1.305000      ?             ?      
1 1 1 39 36 30 o -1.632000      1.284000      ?             ?      
1 1 1 39 36 31 o -0.7042000E-01 1.294000      ?             ?      
1 1 1 39 36 32 o -0.2339000     1.314000      ?             ?      
1 1 1 39 36 33 o -2.449000      2.435000      ?             ?      
1 1 1 39 36 34 o 3.326000       1.287000      ?             ?      
1 1 1 39 36 35 o 1.533000       2.206000      ?             ?      
1 1 1 39 36 36 o 0.1003000      1.615000      ?             ?      
1 1 1 39 37 0  o 0.8158000E-01  1.319000      ?             ?      
1 1 1 39 37 1  o -0.3520000     0.9882000     ?             ?      
1 1 1 39 37 2  o -0.7564000     1.012000      ?             ?      
1 1 1 39 37 3  o -0.1668000     0.9967000     ?             ?      
1 1 1 39 37 4  o -1.411000      1.012000      ?             ?      
1 1 1 39 37 5  o -0.4255000     1.135000      ?             ?      
1 1 1 39 37 6  f -0.2939000     1.393000      ?             ?      
1 1 1 39 37 7  o 0.2943000      1.424000      ?             ?      
1 1 1 39 37 8  o 0.3019000      1.438000      ?             ?      
1 1 1 39 37 9  o -1.254000      1.249000      ?             ?      
1 1 1 39 37 10 o 1.599000       1.102000      ?             ?      
1 1 1 39 37 11 o -0.1436000     1.132000      ?             ?      
1 1 1 39 37 12 o -0.1763000E-01 1.117000      ?             ?      
1 1 1 39 37 13 o -0.9545000     1.126000      ?             ?      
1 1 1 39 37 14 o 0.2675000      1.193000      ?             ?      
1 1 1 39 37 15 o -1.321000      1.213000      ?             ?      
1 1 1 39 37 16 o -0.5599000     1.367000      ?             ?      
1 1 1 39 37 17 o 0.7701000      1.545000      ?             ?      
1 1 1 39 37 18 o -1.287000      1.566000      ?             ?      
1 1 1 39 37 19 o 0.6629000      1.162000      ?             ?      
1 1 1 39 37 20 o 1.869000       1.174000      ?             ?      
1 1 1 39 37 21 o -0.8912000     1.187000      ?             ?      
1 1 1 39 37 22 o -0.1030000     1.226000      ?             ?      
1 1 1 39 37 23 o -1.359000      1.192000      ?             ?      
1 1 1 39 37 24 o -0.5434000     1.182000      ?             ?      
1 1 1 39 37 25 o -1.552000      1.176000      ?             ?      
1 1 1 39 37 26 o 0.5495000      1.185000      ?             ?      
1 1 1 39 37 27 o -2.308000      1.314000      ?             ?      
1 1 1 39 37 28 o 1.185000       1.323000      ?             ?      
1 1 1 39 37 29 o 3.674000       2.430000      ?             ?      
1 1 1 39 37 30 o 0.1412000      1.304000      ?             ?      
1 1 1 39 37 31 o 0.4550000      1.333000      ?             ?      
1 1 1 39 37 32 o -1.356000      1.375000      ?             ?      
1 1 1 39 37 33 o 1.469000       2.246000      ?             ?      
1 1 1 39 37 34 o 1.095000       2.359000      ?             ?      
1 1 1 39 37 35 o 1.633000       1.646000      ?             ?      
1 1 1 39 38 0  o -1.160000      1.563000      ?             ?      
1 1 1 39 38 1  o 0.8061000      0.9708000     ?             ?      
1 1 1 39 38 2  o 0.5362000      1.010000      ?             ?      
1 1 1 39 38 3  o -0.4452000     1.012000      ?             ?      
1 1 1 39 38 4  o -0.2122000     1.110000      ?             ?      
1 1 1 39 38 5  o 1.725000       1.396000      ?             ?      
1 1 1 39 38 6  o -0.3888000     1.404000      ?             ?      
1 1 1 39 38 7  o 2.891000       1.432000      ?             ?      
1 1 1 39 38 8  o -0.3162000     1.244000      ?             ?      
1 1 1 39 38 9  o 0.9905000E-01  1.100000      ?             ?      
1 1 1 39 38 10 o 0.4790000      1.088000      ?             ?      
1 1 1 39 38 11 o -0.8542000     1.121000      ?             ?      
1 1 1 39 38 12 o -0.8521000     1.128000      ?             ?      
1 1 1 39 38 13 o 0.5682000E-01  1.207000      ?             ?      
1 1 1 39 38 14 o 1.937000       1.309000      ?             ?      
1 1 1 39 38 15 o 2.554000       1.629000      ?             ?      
1 1 1 39 38 16 o -1.001000      1.350000      ?             ?      
1 1 1 39 38 17 o 1.330000       1.584000      ?             ?      
1 1 1 39 38 18 o -0.3441000     1.315000      ?             ?      
1 1 1 39 38 19 o 1.007000       1.305000      ?             ?      
1 1 1 39 38 20 o 0.7153000      1.212000      ?             ?      
1 1 1 39 38 21 o 0.2432000      1.167000      ?             ?      
1 1 1 39 38 22 o -0.3408000     1.182000      ?             ?      
1 1 1 39 38 23 o 0.6889000      1.197000      ?             ?      
1 1 1 39 38 24 o -0.9192000     1.186000      ?             ?      
1 1 1 39 38 25 o -0.3281000     1.185000      ?             ?      
1 1 1 39 38 26 o 0.3071000      1.187000      ?             ?      
1 1 1 39 38 27 o 1.075000       1.318000      ?             ?      
1 1 1 39 38 28 o 0.8699000      1.321000      ?             ?      
1 1 1 39 38 29 o -1.127000      1.337000      ?             ?      
1 1 1 39 38 30 o -2.262000      1.361000      ?             ?      
1 1 1 39 38 31 o -1.106000      1.391000      ?             ?      
1 1 1 39 38 32 o 0.1903000      3.159000      ?             ?      
1 1 1 39 38 33 f -2.532000      2.275000      ?             ?      
1 1 1 39 38 34 < 0.000000       -1.000000     ?             ?      
1 1 1 39 39 0  o -1.997000      1.554000      ?             ?      
1 1 1 39 39 1  o 0.6110000E-01  0.9622000     ?             ?      
1 1 1 39 39 2  o -0.1937000     1.009000      ?             ?      
1 1 1 39 39 3  o 0.1729000      1.101000      ?             ?      
1 1 1 39 39 4  o -0.6166000     1.372000      ?             ?      
1 1 1 39 39 5  o 1.230000       1.374000      ?             ?      
1 1 1 39 39 6  o -0.2466000     1.418000      ?             ?      
1 1 1 39 39 7  o 0.1316000E-01  1.255000      ?             ?      
1 1 1 39 39 8  o -1.555000      1.099000      ?             ?      
1 1 1 39 39 9  o -0.5776000     1.095000      ?             ?      
1 1 1 39 39 10 o -0.5863000     1.080000      ?             ?      
1 1 1 39 39 11 o -0.9359000     1.129000      ?             ?      
1 1 1 39 39 12 o -0.4209000     1.269000      ?             ?      
1 1 1 39 39 13 o 2.958000       1.204000      ?             ?      
1 1 1 39 39 14 o -1.127000      1.201000      ?             ?      
1 1 1 39 39 15 o 0.8495000E-01  1.364000      ?             ?      
1 1 1 39 39 16 o -1.029000      1.326000      ?             ?      
1 1 1 39 39 17 o -1.383000      1.586000      ?             ?      
1 1 1 39 39 18 o 0.2609000E-01  1.301000      ?             ?      
1 1 1 39 39 19 o -0.1673000     1.291000      ?             ?      
1 1 1 39 39 20 o -0.5163000     1.315000      ?             ?      
1 1 1 39 39 21 o -0.4993000     1.171000      ?             ?      
1 1 1 39 39 22 o 1.501000       1.188000      ?             ?      
1 1 1 39 39 23 o -0.3225000     1.192000      ?             ?      
1 1 1 39 39 24 o -0.9158000     1.189000      ?             ?      
1 1 1 39 39 25 o -3.172000      1.186000      ?             ?      
1 1 1 39 39 26 o -1.353000      1.188000      ?             ?      
1 1 1 39 39 27 o 0.1989000      1.355000      ?             ?      
1 1 1 39 39 28 o 0.1970000      1.354000      ?             ?      
1 1 1 39 39 29 o -0.8353000     1.610000      ?             ?      
1 1 1 39 39 30 o -2.002000      1.585000      ?             ?      
1 1 1 39 39 31 o 0.2372000      1.635000      ?             ?      
1 1 1 39 39 32 o 2.551000       2.340000      ?             ?      
1 1 1 39 40 0  o -1.601000      1.558000      ?             ?      
1 1 1 39 40 1  o -0.3635000     0.9727000     ?             ?      
1 1 1 39 40 2  o -1.523000      1.076000      ?             ?      
1 1 1 39 40 3  o -0.3225000     1.335000      ?             ?      
1 1 1 39 40 4  o 0.6317000      1.398000      ?             ?      
1 1 1 39 40 5  o 1.147000       1.441000      ?             ?      
1 1 1 39 40 6  o 0.6708000      1.257000      ?             ?      
1 1 1 39 40 7  o 0.6259000      1.108000      ?             ?      
1 1 1 39 40 8  o 0.5367000      1.102000      ?             ?      
1 1 1 39 40 9  o 0.3880000      1.196000      ?             ?      
1 1 1 39 40 10 o -1.497000      1.218000      ?             ?      
1 1 1 39 40 11 o 0.4972000      1.131000      ?             ?      
1 1 1 39 40 12 o -1.853000      1.162000      ?             ?      
1 1 1 39 40 13 o 1.684000       1.191000      ?             ?      
1 1 1 39 40 14 o 1.005000       1.408000      ?             ?      
1 1 1 39 40 15 o -1.583000      1.362000      ?             ?      
1 1 1 39 40 16 o -0.5015000     1.340000      ?             ?      
1 1 1 39 40 17 o -2.165000      1.294000      ?             ?      
1 1 1 39 40 18 o -0.5722000     1.301000      ?             ?      
1 1 1 39 40 19 o -0.4585000     1.303000      ?             ?      
1 1 1 39 40 20 o 0.1848000      1.015000      ?             ?      
1 1 1 39 40 21 o -1.408000      1.324000      ?             ?      
1 1 1 39 40 22 o 0.6339000      1.219000      ?             ?      
1 1 1 39 40 23 o 0.4688000      1.048000      ?             ?      
1 1 1 39 40 24 o -1.435000      1.227000      ?             ?      
1 1 1 39 40 25 o -0.4795000     1.235000      ?             ?      
1 1 1 39 40 26 o -0.9729000     1.246000      ?             ?      
1 1 1 39 40 27 o -0.7691000     1.543000      ?             ?      
1 1 1 39 40 28 o 1.883000       1.392000      ?             ?      
1 1 1 39 40 29 o -1.043000      1.079000      ?             ?      
1 1 1 39 40 30 o 0.4176000      1.608000      ?             ?      
1 1 1 39 41 0  o 0.1527000      1.612000      ?             ?      
1 1 1 39 41 1  o -1.138000      1.070000      ?             ?      
1 1 1 39 41 2  o -0.7512000     1.334000      ?             ?      
1 1 1 39 41 3  o -0.6059000E-03 1.361000      ?             ?      
1 1 1 39 41 4  o -1.465000      1.400000      ?             ?      
1 1 1 39 41 5  o -0.3777000     1.284000      ?             ?      
1 1 1 39 41 6  o 1.463000       1.243000      ?             ?      
1 1 1 39 41 7  o -0.1939000     1.197000      ?             ?      
1 1 1 39 41 8  o 0.9210000E-02  1.099000      ?             ?      
1 1 1 39 41 9  o 0.7025000      1.100000      ?             ?      
1 1 1 39 41 10 o -0.4544000     1.096000      ?             ?      
1 1 1 39 41 11 o -0.1901000E-01 1.980000      ?             ?      
1 1 1 39 41 12 o 0.5898000      1.252000      ?             ?      
1 1 1 39 41 13 o 0.4380000      1.194000      ?             ?      
1 1 1 39 41 14 o 0.1205000      1.325000      ?             ?      
1 1 1 39 41 15 o -0.9123000     1.317000      ?             ?      
1 1 1 39 41 16 o -0.4278000     1.332000      ?             ?      
1 1 1 39 41 17 o 0.3727000      1.288000      ?             ?      
1 1 1 39 41 18 o 2.978000       1.319000      ?             ?      
1 1 1 39 41 19 o -0.5274000     1.313000      ?             ?      
1 1 1 39 41 20 o 1.660000       1.343000      ?             ?      
1 1 1 39 41 21 o 1.531000       1.349000      ?             ?      
1 1 1 39 41 22 o -0.5238000     1.361000      ?             ?      
1 1 1 39 41 23 o -0.1719000     1.377000      ?             ?      
1 1 1 39 41 24 o -1.474000      1.378000      ?             ?      
1 1 1 39 41 25 o 0.8689000      1.384000      ?             ?      
1 1 1 39 41 26 o 1.254000       1.234000      ?             ?      
1 1 1 39 41 27 o 0.1512000      1.623000      ?             ?      
1 1 1 39 41 28 o 0.8671000      1.092000      ?             ?      
1 1 1 39 42 0  o 0.3510000      1.841000      ?             ?      
1 1 1 39 42 1  o -0.7919000     1.338000      ?             ?      
1 1 1 39 42 2  o 1.062000       1.364000      ?             ?      
1 1 1 39 42 3  o 0.7074000      1.869000      ?             ?      
1 1 1 39 42 4  o -1.692000      1.918000      ?             ?      
1 1 1 39 42 5  o -0.4221000     1.224000      ?             ?      
1 1 1 39 42 6  o 0.2217000      1.103000      ?             ?      
1 1 1 39 42 7  o 0.3836000      1.138000      ?             ?      
1 1 1 39 42 8  o 1.409000       1.170000      ?             ?      
1 1 1 39 42 9  o -0.5287000     1.153000      ?             ?      
1 1 1 39 42 10 o -1.307000      1.133000      ?             ?      
1 1 1 39 42 11 o -1.709000      1.161000      ?             ?      
1 1 1 39 42 12 o 0.3025000      1.164000      ?             ?      
1 1 1 39 42 13 o -0.1047000     1.198000      ?             ?      
1 1 1 39 42 14 o -3.456000      1.311000      ?             ?      
1 1 1 39 42 15 o -0.7152000     1.328000      ?             ?      
1 1 1 39 42 16 o -0.3894000     1.171000      ?             ?      
1 1 1 39 42 17 o 0.1720000      1.314000      ?             ?      
1 1 1 39 42 18 o -0.2401000     1.334000      ?             ?      
1 1 1 39 42 19 o 1.472000       1.349000      ?             ?      
1 1 1 39 42 20 o -0.5121000     1.353000      ?             ?      
1 1 1 39 42 21 o 0.3917000      1.409000      ?             ?      
1 1 1 39 42 22 o -0.5461000     1.358000      ?             ?      
1 1 1 39 42 23 f -0.4471000     1.368000      ?             ?      
1 1 1 39 42 24 o -1.644000      1.365000      ?             ?      
1 1 1 39 42 25 o 2.574000       3.027000      ?             ?      
1 1 1 39 42 26 o -0.3245000     1.641000      ?             ?      
1 1 1 39 42 27 o -1.160000      4.247000      ?             ?      
1 1 1 39 43 0  o -0.6271000     3.591000      ?             ?      
1 1 1 39 43 1  o -2.873000      1.895000      ?             ?      
1 1 1 39 43 2  o -1.636000      1.882000      ?             ?      
1 1 1 39 43 3  o 0.5216000E-01  1.445000      ?             ?      
1 1 1 39 43 4  o 1.188000       1.271000      ?             ?      
1 1 1 39 43 5  o -0.8823000     1.200000      ?             ?      
1 1 1 39 43 6  o -1.205000      1.187000      ?             ?      
1 1 1 39 43 7  o 1.026000       1.147000      ?             ?      
1 1 1 39 43 8  o 0.5881000      1.125000      ?             ?      
1 1 1 39 43 9  o 0.9709000      1.113000      ?             ?      
1 1 1 39 43 10 o -1.093000      1.116000      ?             ?      
1 1 1 39 43 11 o -0.5639000     1.164000      ?             ?      
1 1 1 39 43 12 o 0.8981000      1.186000      ?             ?      
1 1 1 39 43 13 o 0.6972000      1.357000      ?             ?      
1 1 1 39 43 14 o 0.5275000      1.327000      ?             ?      
1 1 1 39 43 15 o -0.1802000E-02 1.349000      ?             ?      
1 1 1 39 43 16 o 2.427000       2.151000      ?             ?      
1 1 1 39 43 17 o -0.7974000     1.329000      ?             ?      
1 1 1 39 43 18 o -2.148000      1.359000      ?             ?      
1 1 1 39 43 19 o -0.9587000     1.385000      ?             ?      
1 1 1 39 43 20 o -1.019000      1.366000      ?             ?      
1 1 1 39 43 21 o -2.449000      2.504000      ?             ?      
1 1 1 39 43 22 o -0.4174000     1.387000      ?             ?      
1 1 1 39 43 23 o -1.387000      1.595000      ?             ?      
1 1 1 39 43 24 o -0.6887000     1.582000      ?             ?      
1 1 1 39 44 0  o 1.022000       2.404000      ?             ?      
1 1 1 39 44 1  o -0.7505000     1.436000      ?             ?      
1 1 1 39 44 2  o -0.2726000     2.604000      ?             ?      
1 1 1 39 44 3  o 0.7382000      1.400000      ?             ?      
1 1 1 39 44 4  o -0.2341000     1.173000      ?             ?      
1 1 1 39 44 5  o -0.6038000     1.101000      ?             ?      
1 1 1 39 44 6  o 0.1842000      1.113000      ?             ?      
1 1 1 39 44 7  o -1.142000      1.095000      ?             ?      
1 1 1 39 44 8  o -1.193000      1.107000      ?             ?      
1 1 1 39 44 9  o -0.5482000     1.126000      ?             ?      
1 1 1 39 44 10 o 0.5052000      1.170000      ?             ?      
1 1 1 39 44 11 o -1.269000      1.178000      ?             ?      
1 1 1 39 44 12 o -0.3152000E-02 1.211000      ?             ?      
1 1 1 39 44 13 o 0.8018000      2.462000      ?             ?      
1 1 1 39 44 14 o -2.072000      1.328000      ?             ?      
1 1 1 39 44 15 o -0.5501000     1.217000      ?             ?      
1 1 1 39 44 16 o -0.6676000     1.221000      ?             ?      
1 1 1 39 44 17 o -0.1902000     1.343000      ?             ?      
1 1 1 39 44 18 o -0.6930000     1.350000      ?             ?      
1 1 1 39 44 19 o -1.333000      1.343000      ?             ?      
1 1 1 39 44 20 o -1.714000      1.571000      ?             ?      
1 1 1 39 44 21 o 0.7656000      1.592000      ?             ?      
1 1 1 39 44 22 o -0.3196000     1.559000      ?             ?      
1 1 1 39 45 0  o -1.658000      3.277000      ?             ?      
1 1 1 39 45 1  o 1.598000       2.109000      ?             ?      
1 1 1 39 45 2  o 0.1756000      1.373000      ?             ?      
1 1 1 39 45 3  o -0.5938000     1.197000      ?             ?      
1 1 1 39 45 4  o 1.997000       1.180000      ?             ?      
1 1 1 39 45 5  o 1.389000       1.934000      ?             ?      
1 1 1 39 45 6  o 0.3502000      1.092000      ?             ?      
1 1 1 39 45 7  o 0.5879000      1.121000      ?             ?      
1 1 1 39 45 8  o 0.6285000      1.120000      ?             ?      
1 1 1 39 45 9  o 0.4239000      1.136000      ?             ?      
1 1 1 39 45 10 o -1.140000      1.186000      ?             ?      
1 1 1 39 45 11 o 0.2158000      1.229000      ?             ?      
1 1 1 39 45 12 o 0.2451000      1.435000      ?             ?      
1 1 1 39 45 13 o 0.1624000      1.355000      ?             ?      
1 1 1 39 45 14 o -0.2528000     1.349000      ?             ?      
1 1 1 39 45 15 o -0.6903000     1.181000      ?             ?      
1 1 1 39 45 16 o -0.3875000     2.177000      ?             ?      
1 1 1 39 45 17 o -0.2998000     1.608000      ?             ?      
1 1 1 39 45 18 o 1.346000       1.071000      ?             ?      
1 1 1 39 45 19 o 3.717000       1.605000      ?             ?      
1 1 1 39 46 0  o 3.548000       2.463000      ?             ?      
1 1 1 39 46 1  o -1.137000      1.352000      ?             ?      
1 1 1 39 46 2  o 2.254000       1.821000      ?             ?      
1 1 1 39 46 3  o -0.1505000     1.289000      ?             ?      
1 1 1 39 46 4  o -3.179000      1.210000      ?             ?      
1 1 1 39 46 5  o 0.1428000      1.098000      ?             ?      
1 1 1 39 46 6  o -0.7677000E-01 1.141000      ?             ?      
1 1 1 39 46 7  o -0.2759000     1.164000      ?             ?      
1 1 1 39 46 8  o 1.107000       1.182000      ?             ?      
1 1 1 39 46 9  o 1.149000       1.180000      ?             ?      
1 1 1 39 46 10 o 1.949000       1.244000      ?             ?      
1 1 1 39 46 11 o -0.2591000     1.204000      ?             ?      
1 1 1 39 46 12 o 1.971000       1.332000      ?             ?      
1 1 1 39 46 13 o 0.9219000      2.206000      ?             ?      
1 1 1 39 46 14 o 0.9780000      1.563000      ?             ?      
1 1 1 39 46 15 o -0.1605000     1.558000      ?             ?      
1 1 1 39 46 16 o -0.2815000     2.177000      ?             ?      
1 1 1 39 47 0  o -1.681000      2.154000      ?             ?      
1 1 1 39 47 1  o 0.5221000      1.801000      ?             ?      
1 1 1 39 47 2  o -0.7564000     1.221000      ?             ?      
1 1 1 39 47 3  o -0.5966000     1.208000      ?             ?      
1 1 1 39 47 4  o 0.1450000      1.903000      ?             ?      
1 1 1 39 47 5  o 0.4837000      1.118000      ?             ?      
1 1 1 39 47 6  o -3.666000      2.270000      ?             ?      
1 1 1 39 47 7  o -0.9742000     1.293000      ?             ?      
1 1 1 39 47 8  o 1.832000       1.515000      ?             ?      
1 1 1 39 47 9  o 0.5866000      2.982000      ?             ?      
1 1 1 39 47 10 o 0.8231000E-01  1.569000      ?             ?      
1 1 1 39 47 11 o 3.753000       4.253000      ?             ?      
1 1 1 39 47 12 < 0.000000       -1.000000     ?             ?      
1 1 1 39 48 1  o 5.121000       4.229000      ?             ?      
1 1 1 39 48 2  o 2.883000       2.205000      ?             ?      
1 1 1 39 48 3  o 0.3366000      1.556000      ?             ?      
1 1 1 39 48 4  < 0.000000       -1.000000     ?             ?      
1 1 1 40 0  0  o 3.876000       1.904000      232.8997      0.0    
1 1 1 40 0  1  o 4.426000       1.348000      268.7619      90.0   
1 1 1 40 0  2  o 7.552000       1.358000      372.2695      0.0    
1 1 1 40 0  3  o 2.928000       1.319000      187.0152      -90.0  
1 1 1 40 0  4  o -1.894000      1.361000      51.69248      180.0  
1 1 1 40 0  5  o -1.331000      1.394000      10.46056      -90.0  
1 1 1 40 0  6  o 1.337000       1.439000      168.1805      -0.0   
1 1 1 40 0  7  o 9.516000       1.521000      249.7070      -90.0  
1 1 1 40 0  8  o 3.382000       1.493000      117.1944      0.0    
1 1 1 40 0  9  o 0.6719000      1.438000      183.4759      -90.0  
1 1 1 40 0  10 o 3.037000       1.433000      137.8733      -0.0   
1 1 1 40 0  11 o 6.333000       1.480000      120.8938      -90.0  
1 1 1 40 0  12 o -1.755000      1.430000      52.92920      -0.0   
1 1 1 40 0  13 o 0.4801000      1.716000      13.41932      90.0   
1 1 1 40 0  14 o 0.2084000      1.488000      101.4588      0.0    
1 1 1 40 0  15 o 1.177000       1.504000      27.26641      90.0   
1 1 1 40 0  16 o -0.4486000     1.515000      73.09727      0.0    
1 1 1 40 0  17 o 3.182000       1.508000      155.4322      -90.0  
1 1 1 40 0  18 o 2.922000       1.490000      16.46101      0.0    
1 1 1 40 0  19 o 0.3049000      1.458000      132.7888      -90.0  
1 1 1 40 0  20 o 0.9918000      1.468000      8.395190      0.0    
1 1 1 40 0  21 o -0.8776000     1.468000      52.86530      90.0   
1 1 1 40 0  22 o 5.021000       1.504000      215.2660      180.0  
1 1 1 40 0  23 o -0.4263000     1.466000      94.96736      -90.0  
1 1 1 40 0  24 o -3.200000      1.485000      60.95153      180.0  
1 1 1 40 0  25 o 2.382000       1.904000      245.8762      90.0   
1 1 1 40 0  26 o 1.302000       1.911000      69.13876      0.0    
1 1 1 40 0  27 o -2.336000      1.919000      95.16681      -90.0  
1 1 1 40 0  28 o 0.8626000      1.747000      ?             ?      
1 1 1 40 0  29 o -0.3443000     1.625000      ?             ?      
1 1 1 40 0  30 o 2.446000       1.780000      ?             ?      
1 1 1 40 0  31 o -0.1889000E-01 1.602000      ?             ?      
1 1 1 40 0  32 o -1.177000      1.567000      ?             ?      
1 1 1 40 0  33 o 1.199000       1.474000      ?             ?      
1 1 1 40 0  34 o 0.7594000      1.469000      ?             ?      
1 1 1 40 0  35 f -0.3509000     1.600000      ?             ?      
1 1 1 40 0  36 o 0.8130000E-01  1.450000      ?             ?      
1 1 1 40 0  37 o -0.7951000     1.449000      ?             ?      
1 1 1 40 0  38 o -0.8356000     1.433000      ?             ?      
1 1 1 40 0  39 o -0.4025000     1.355000      ?             ?      
1 1 1 40 0  40 o 1.192000       1.332000      ?             ?      
1 1 1 40 0  41 o 1.467000       1.331000      ?             ?      
1 1 1 40 0  42 o -0.1145000     1.350000      ?             ?      
1 1 1 40 0  43 o 1.742000       1.493000      ?             ?      
1 1 1 40 0  44 o 1.717000       1.542000      ?             ?      
1 1 1 40 0  45 o 2.445000       1.537000      ?             ?      
1 1 1 40 0  46 f -1.012000      1.536000      ?             ?      
1 1 1 40 0  47 o -0.9685000     1.516000      ?             ?      
1 1 1 40 0  48 o 0.9171000      1.540000      ?             ?      
1 1 1 40 0  49 o -1.347000      1.747000      ?             ?      
1 1 1 40 0  50 o -2.609000      2.488000      ?             ?      
1 1 1 40 0  51 o 0.3433000      2.037000      ?             ?      
1 1 1 40 0  52 o 1.638000       1.831000      ?             ?      
1 1 1 40 0  53 o -0.3287000     2.047000      ?             ?      
1 1 1 40 1  0  o 5.329000       1.354000      234.9622      -180.0 
1 1 1 40 1  1  o 4.618000       0.9556000     308.3001      162.3  
1 1 1 40 1  2  o 1.905000       0.9316000     203.7763      -65.6  
1 1 1 40 1  3  o 2.107000       0.9347000     62.32069      -24.3  
1 1 1 40 1  4  o 1.172000       0.9622000     148.5875      -89.0  
1 1 1 40 1  5  o 0.6623000      0.9822000     213.7578      43.3   
1 1 1 40 1  6  o 2.190000       1.012000      167.4799      -14.3  
1 1 1 40 1  7  o 5.247000       1.029000      341.0700      14.5   
1 1 1 40 1  8  o 2.735000       1.022000      91.52793      -97.0  
1 1 1 40 1  9  o 3.825000       1.033000      166.2500      17.2   
1 1 1 40 1  10 o 2.054000       1.016000      106.2095      21.5   
1 1 1 40 1  11 o 0.8609000      1.011000      24.28909      -39.6  
1 1 1 40 1  12 o 1.318000       1.041000      142.2747      0.8    
1 1 1 40 1  13 o 1.973000       1.118000      88.39866      13.0   
1 1 1 40 1  14 o 2.491000       1.075000      141.5771      -24.5  
1 1 1 40 1  15 o 8.000000       1.104000      250.0249      -14.5  
1 1 1 40 1  16 o 4.180000       1.090000      334.5768      -112.0 
1 1 1 40 1  17 o 2.549000       1.069000      98.74457      152.5  
1 1 1 40 1  18 o 2.879000       1.054000      147.1949      -6.5   
1 1 1 40 1  19 o 1.616000       1.047000      155.2486      -60.3  
1 1 1 40 1  20 o 1.755000       1.054000      210.2722      -68.8  
1 1 1 40 1  21 o -0.2931000     1.044000      60.77303      179.2  
1 1 1 40 1  22 o 0.8077000      1.045000      89.34487      -53.0  
1 1 1 40 1  23 o 1.184000       1.041000      142.6698      -70.8  
1 1 1 40 1  24 o 0.1991000      1.054000      189.5477      -165.5 
1 1 1 40 1  25 o -0.4620000     1.350000      96.61922      -77.3  
1 1 1 40 1  26 o 2.821000       1.392000      196.8155      -114.8 
1 1 1 40 1  27 o 2.138000       1.460000      160.3165      175.9  
1 1 1 40 1  28 o 0.7786000      1.551000      ?             ?      
1 1 1 40 1  29 o -0.9453000E-01 1.217000      ?             ?      
1 1 1 40 1  30 o 1.805000       1.368000      ?             ?      
1 1 1 40 1  31 o -1.251000      1.180000      ?             ?      
1 1 1 40 1  32 o -0.7890000     1.078000      ?             ?      
1 1 1 40 1  33 o -0.3307000     1.027000      ?             ?      
1 1 1 40 1  34 o -0.5194000     1.001000      ?             ?      
1 1 1 40 1  35 o -0.6608000E-01 0.9987000     ?             ?      
1 1 1 40 1  36 o 1.452000       0.9681000     ?             ?      
1 1 1 40 1  37 o -0.3560000     1.000000      ?             ?      
1 1 1 40 1  38 o 0.2812000      1.002000      ?             ?      
1 1 1 40 1  39 o -0.5850000     0.9946000     ?             ?      
1 1 1 40 1  40 o 0.8555000E-01  0.9867000     ?             ?      
1 1 1 40 1  41 o 1.526000       0.9783000     ?             ?      
1 1 1 40 1  42 o -0.4712000     0.9715000     ?             ?      
1 1 1 40 1  43 o -0.5219000     1.024000      ?             ?      
1 1 1 40 1  44 o -0.3824000     1.051000      ?             ?      
1 1 1 40 1  45 o 1.884000       1.068000      ?             ?      
1 1 1 40 1  46 o 1.821000       1.075000      ?             ?      
1 1 1 40 1  47 o -0.6219000E-02 1.148000      ?             ?      
1 1 1 40 1  48 o 1.290000       1.289000      ?             ?      
1 1 1 40 1  49 o 2.807000       1.473000      ?             ?      
1 1 1 40 1  50 o 0.5138000      1.293000      ?             ?      
1 1 1 40 1  51 o -2.837000      1.612000      ?             ?      
1 1 1 40 1  52 o -2.146000      1.405000      ?             ?      
1 1 1 40 1  53 o -2.916000      2.066000      ?             ?      
1 1 1 40 2  0  o 4.791000       1.341000      309.5734      -0.0   
1 1 1 40 2  1  o 5.278000       0.9477000     313.2367      29.5   
1 1 1 40 2  2  o 3.963000       0.9357000     298.0564      -58.7  
1 1 1 40 2  3  o 1.752000       0.9264000     155.5339      -111.8 
1 1 1 40 2  4  o 1.552000       0.9447000     71.28491      -171.6 
1 1 1 40 2  5  o 2.534000       1.049000      76.99944      102.7  
1 1 1 40 2  6  o 0.4678000      0.9896000     162.0176      34.1   
1 1 1 40 2  7  o 2.373000       1.016000      94.54464      -12.9  
1 1 1 40 2  8  o 1.223000       1.003000      90.08731      -128.1 
1 1 1 40 2  9  o -0.1309000     1.016000      55.94935      -47.6  
1 1 1 40 2  10 o -0.5644000     1.013000      134.7323      160.4  
1 1 1 40 2  11 o 1.176000       1.023000      196.1462      -169.4 
1 1 1 40 2  12 o 0.2542000      1.137000      112.8018      -76.1  
1 1 1 40 2  13 o 3.507000       1.100000      138.9814      24.5   
1 1 1 40 2  14 o -0.3721000E-01 1.131000      62.42007      148.8  
1 1 1 40 2  15 o 0.9207000      1.071000      155.8879      24.1   
1 1 1 40 2  16 o 0.2053000      1.048000      47.53212      -4.0   
1 1 1 40 2  17 o 0.1217000E-01  1.049000      87.20355      -41.0  
1 1 1 40 2  18 o 1.198000       1.043000      76.34145      9.9    
1 1 1 40 2  19 o -0.8191000     1.035000      124.2090      -136.6 
1 1 1 40 2  20 o 1.714000       1.055000      176.2211      -29.3  
1 1 1 40 2  21 o 1.435000       1.059000      222.3069      45.9   
1 1 1 40 2  22 o 3.726000       1.065000      224.7380      -90.9  
1 1 1 40 2  23 o 0.3745000      1.041000      116.7482      -55.7  
1 1 1 40 2  24 o 0.2872000      1.060000      13.18478      30.0   
1 1 1 40 2  25 o 0.9149000      1.209000      113.5872      14.9   
1 1 1 40 2  26 o 1.716000       1.366000      10.08628      -70.8  
1 1 1 40 2  27 o 2.352000       1.635000      197.6176      16.1   
1 1 1 40 2  28 o -1.120000      1.596000      ?             ?      
1 1 1 40 2  29 o 0.6263000      1.371000      ?             ?      
1 1 1 40 2  30 o 1.592000       1.314000      ?             ?      
1 1 1 40 2  31 o -1.336000      1.256000      ?             ?      
1 1 1 40 2  32 o 0.5426000      1.157000      ?             ?      
1 1 1 40 2  33 o -0.2686000     1.061000      ?             ?      
1 1 1 40 2  34 o 0.7132000      1.005000      ?             ?      
1 1 1 40 2  35 o 0.8172000      0.9613000     ?             ?      
1 1 1 40 2  36 o 0.3205000      0.9513000     ?             ?      
1 1 1 40 2  37 o -0.5754000     0.9449000     ?             ?      
1 1 1 40 2  38 o 0.4150000      0.9643000     ?             ?      
1 1 1 40 2  39 o 0.9150000      1.000000      ?             ?      
1 1 1 40 2  40 o 0.7617000E-01  1.025000      ?             ?      
1 1 1 40 2  41 o 0.2858000      0.9807000     ?             ?      
1 1 1 40 2  42 o -0.2172000     1.018000      ?             ?      
1 1 1 40 2  43 o 1.018000       1.001000      ?             ?      
1 1 1 40 2  44 o 0.4082000      1.111000      ?             ?      
1 1 1 40 2  45 o -0.2581000     1.142000      ?             ?      
1 1 1 40 2  46 o -0.4267000     1.254000      ?             ?      
1 1 1 40 2  47 o 0.5611000E-01  1.249000      ?             ?      
1 1 1 40 2  48 o 1.144000       1.077000      ?             ?      
1 1 1 40 2  49 o 3.000000       1.129000      ?             ?      
1 1 1 40 2  50 o 0.7209000      1.272000      ?             ?      
1 1 1 40 2  51 o 0.7702000      1.510000      ?             ?      
1 1 1 40 2  52 o -0.3016000     1.938000      ?             ?      
1 1 1 40 2  53 o -0.4399000     1.388000      ?             ?      
1 1 1 40 3  0  o 2.618000       1.307000      105.4089      180.0  
1 1 1 40 3  1  o 0.2708000      0.9138000     93.82349      60.3   
1 1 1 40 3  2  o 2.097000       0.9306000     137.9112      43.5   
1 1 1 40 3  3  o 0.2936000E-01  0.9262000     213.0847      25.2   
1 1 1 40 3  4  o 1.707000       0.9410000     190.2389      -113.0 
1 1 1 40 3  5  o -0.3242000     0.9525000     102.9641      27.3   
1 1 1 40 3  6  o 1.524000       0.9691000     60.26794      -69.0  
1 1 1 40 3  7  o 1.033000       0.9960000     139.4251      62.6   
1 1 1 40 3  8  o 1.004000       1.008000      108.0100      -2.2   
1 1 1 40 3  9  o 3.032000       1.077000      336.1526      -70.4  
1 1 1 40 3  10 o 1.509000       1.029000      154.6463      -42.8  
1 1 1 40 3  11 o 3.918000       1.059000      191.9145      -52.7  
1 1 1 40 3  12 o -0.3046000     1.110000      124.0136      -67.2  
1 1 1 40 3  13 o 1.385000       1.106000      42.69000      -133.6 
1 1 1 40 3  14 o 1.766000       1.127000      110.9970      48.4   
1 1 1 40 3  15 o 3.384000       1.201000      259.9840      -95.6  
1 1 1 40 3  16 o 2.094000       1.051000      160.1566      -174.4 
1 1 1 40 3  17 o 1.565000       1.045000      42.54672      -129.2 
1 1 1 40 3  18 o 0.8280000      1.047000      179.4648      15.6   
1 1 1 40 3  19 o 2.262000       1.037000      50.02409      -57.8  
1 1 1 40 3  20 o -0.2942000     1.068000      38.36359      83.2   
1 1 1 40 3  21 o 2.797000       1.050000      134.1042      27.8   
1 1 1 40 3  22 o -0.8476000E-01 1.040000      48.23776      -29.6  
1 1 1 40 3  23 o 0.4183000      1.037000      88.62254      -37.5  
1 1 1 40 3  24 o -0.4900000     1.188000      149.9374      -149.8 
1 1 1 40 3  25 o -0.1239000     1.191000      49.41971      -65.7  
1 1 1 40 3  26 o 3.182000       1.424000      187.0273      135.7  
1 1 1 40 3  27 o 0.9097000      2.381000      108.9532      111.8  
1 1 1 40 3  28 o 0.6552000      1.549000      ?             ?      
1 1 1 40 3  29 o 3.557000       1.425000      ?             ?      
1 1 1 40 3  30 o 0.4896000      1.172000      ?             ?      
1 1 1 40 3  31 o 1.466000       1.158000      ?             ?      
1 1 1 40 3  32 o 0.2125000      1.086000      ?             ?      
1 1 1 40 3  33 o -0.6361000     1.037000      ?             ?      
1 1 1 40 3  34 o -1.654000      1.026000      ?             ?      
1 1 1 40 3  35 o -0.3327000     0.9514000     ?             ?      
1 1 1 40 3  36 f 1.277000       0.9551000     ?             ?      
1 1 1 40 3  37 o 0.7137000      0.9434000     ?             ?      
1 1 1 40 3  38 o -0.5928000     0.9459000     ?             ?      
1 1 1 40 3  39 o -0.8445000     0.9378000     ?             ?      
1 1 1 40 3  40 o 1.472000       0.9415000     ?             ?      
1 1 1 40 3  41 o -1.351000      0.9984000     ?             ?      
1 1 1 40 3  42 o -0.4093000     1.100000      ?             ?      
1 1 1 40 3  43 o 0.6622000      1.019000      ?             ?      
1 1 1 40 3  44 o 0.3314000      1.388000      ?             ?      
1 1 1 40 3  45 o 0.9820000E-01  1.119000      ?             ?      
1 1 1 40 3  46 o 0.1747000      1.076000      ?             ?      
1 1 1 40 3  47 o 0.4322000      1.070000      ?             ?      
1 1 1 40 3  48 o -0.1050000E-01 1.072000      ?             ?      
1 1 1 40 3  49 o -2.804000      1.251000      ?             ?      
1 1 1 40 3  50 o -0.2670000     1.261000      ?             ?      
1 1 1 40 3  51 o 1.468000       1.984000      ?             ?      
1 1 1 40 3  52 o 1.583000       1.922000      ?             ?      
1 1 1 40 3  53 o 2.320000       1.389000      ?             ?      
1 1 1 40 4  0  o 0.4524000      1.248000      24.14835      0.0    
1 1 1 40 4  1  o -0.9284000     0.9013000     112.3754      122.7  
1 1 1 40 4  2  o 1.364000       0.9230000     134.8691      -34.0  
1 1 1 40 4  3  o -0.1428000E-01 0.9213000     105.4325      -86.1  
1 1 1 40 4  4  o -0.1022000     0.9260000     97.63752      66.8   
1 1 1 40 4  5  o 0.5949000      0.9365000     14.94597      -169.9 
1 1 1 40 4  6  o -1.216000      0.9665000     88.50278      83.7   
1 1 1 40 4  7  o 1.169000       0.9833000     114.0829      73.7   
1 1 1 40 4  8  o 0.6179000      0.9987000     60.74797      -122.9 
1 1 1 40 4  9  o 2.530000       1.029000      225.8289      98.4   
1 1 1 40 4  10 o 1.003000       1.030000      86.55331      -137.4 
1 1 1 40 4  11 o 1.407000       1.142000      38.12170      -35.7  
1 1 1 40 4  12 o 1.284000       1.098000      238.5570      -29.4  
1 1 1 40 4  13 o 1.609000       1.115000      95.31482      135.2  
1 1 1 40 4  14 o 1.147000       1.128000      111.8286      -135.4 
1 1 1 40 4  15 o 1.087000       1.131000      120.9917      -156.0 
1 1 1 40 4  16 o 3.530000       1.089000      224.0601      27.5   
1 1 1 40 4  17 o 1.421000       1.042000      29.06919      117.3  
1 1 1 40 4  18 o -0.7013000E-01 1.048000      170.2437      -52.9  
1 1 1 40 4  19 o 2.572000       1.063000      195.5305      -177.3 
1 1 1 40 4  20 o 4.614000       1.056000      118.1987      13.9   
1 1 1 40 4  21 o -0.6600000     1.040000      55.41483      93.3   
1 1 1 40 4  22 o 1.573000       1.054000      148.7730      -99.9  
1 1 1 40 4  23 o 0.5025000      1.053000      101.9664      -106.8 
1 1 1 40 4  24 o -0.4142000E-01 1.246000      108.8205      -118.0 
1 1 1 40 4  25 o 1.770000       1.252000      63.40685      154.4  
1 1 1 40 4  26 o -0.7342000     1.503000      54.85508      -141.6 
1 1 1 40 4  27 o -1.799000      1.855000      150.3952      -37.5  
1 1 1 40 4  28 o 1.668000       1.853000      ?             ?      
1 1 1 40 4  29 o -1.975000      1.548000      ?             ?      
1 1 1 40 4  30 o -1.403000      1.137000      ?             ?      
1 1 1 40 4  31 o -1.091000      1.141000      ?             ?      
1 1 1 40 4  32 o -0.4992000     1.033000      ?             ?      
1 1 1 40 4  33 o 0.6935000      1.045000      ?             ?      
1 1 1 40 4  34 o 0.6483000      1.031000      ?             ?      
1 1 1 40 4  35 o -1.903000      0.9805000     ?             ?      
1 1 1 40 4  36 o 0.8376000      0.9449000     ?             ?      
1 1 1 40 4  37 o -0.5576000     0.9359000     ?             ?      
1 1 1 40 4  38 o -0.8992000E-01 0.9351000     ?             ?      
1 1 1 40 4  39 f 0.7688000      0.9880000     ?             ?      
1 1 1 40 4  40 o -0.2060000     1.014000      ?             ?      
1 1 1 40 4  41 o 1.538000       1.184000      ?             ?      
1 1 1 40 4  42 o -0.9629000     1.195000      ?             ?      
1 1 1 40 4  43 o -1.675000      1.004000      ?             ?      
1 1 1 40 4  44 o -0.3107000     1.067000      ?             ?      
1 1 1 40 4  45 o -0.3012000     1.073000      ?             ?      
1 1 1 40 4  46 o -0.9234000     1.073000      ?             ?      
1 1 1 40 4  47 o -0.2181000     1.109000      ?             ?      
1 1 1 40 4  48 o -0.9639000     1.068000      ?             ?      
1 1 1 40 4  49 o 0.2478000      1.261000      ?             ?      
1 1 1 40 4  50 o 1.189000       1.274000      ?             ?      
1 1 1 40 4  51 o -0.4560000     2.125000      ?             ?      
1 1 1 40 4  52 o -0.9610000     1.599000      ?             ?      
1 1 1 40 4  53 o 0.5399000      1.393000      ?             ?      
1 1 1 40 5  0  o 0.7478000      1.264000      136.6702      -180.0 
1 1 1 40 5  1  o -1.335000      0.9074000     92.32632      129.8  
1 1 1 40 5  2  o -0.3408000     0.9173000     52.31610      26.9   
1 1 1 40 5  3  o -2.694000      0.9211000     113.3681      -18.9  
1 1 1 40 5  4  o -0.2587000     0.9134000     122.9910      -29.3  
1 1 1 40 5  5  o 0.2371000      0.9212000     138.1443      -167.6 
1 1 1 40 5  6  o -0.4637000     0.9459000     100.7662      -138.7 
1 1 1 40 5  7  o 0.6913000      0.9794000     23.03912      111.5  
1 1 1 40 5  8  o 0.1331000      1.016000      162.9106      -164.8 
1 1 1 40 5  9  o 3.735000       1.037000      305.1818      -66.9  
1 1 1 40 5  10 o -0.6438000     1.049000      41.52161      143.0  
1 1 1 40 5  11 o 0.3057000E-01  1.126000      127.0163      -34.8  
1 1 1 40 5  12 o -0.3212000     1.109000      85.46926      -131.6 
1 1 1 40 5  13 o -0.5436000     1.139000      90.75327      -23.7  
1 1 1 40 5  14 o 0.6949000      1.138000      95.29968      -179.2 
1 1 1 40 5  15 o 1.118000       1.126000      83.79569      -74.5  
1 1 1 40 5  16 o -1.101000      1.171000      73.80705      166.2  
1 1 1 40 5  17 o -0.1238000     1.058000      157.4271      123.9  
1 1 1 40 5  18 o 1.011000       1.052000      7.099134      -120.8 
1 1 1 40 5  19 o 1.789000       1.067000      89.15122      -1.6   
1 1 1 40 5  20 o 1.580000       1.064000      126.2212      -56.8  
1 1 1 40 5  21 o 2.097000       1.065000      210.0186      9.2    
1 1 1 40 5  22 o -1.449000      1.130000      7.972894      120.4  
1 1 1 40 5  23 o 0.6355000      1.204000      167.6887      -22.4  
1 1 1 40 5  24 o -0.7277000     1.290000      112.3876      -144.8 
1 1 1 40 5  25 o -1.798000      1.266000      109.5807      79.1   
1 1 1 40 5  26 o -2.648000      1.595000      88.97563      126.8  
1 1 1 40 5  27 o 1.241000       1.809000      124.2387      30.5   
1 1 1 40 5  28 f -0.3040000     1.545000      ?             ?      
1 1 1 40 5  29 o -0.4119000     1.363000      ?             ?      
1 1 1 40 5  30 o 0.5551000      1.089000      ?             ?      
1 1 1 40 5  31 o -0.2778000     1.063000      ?             ?      
1 1 1 40 5  32 o 1.859000       1.011000      ?             ?      
1 1 1 40 5  33 o -0.1948000     1.039000      ?             ?      
1 1 1 40 5  34 o -0.5792000     1.027000      ?             ?      
1 1 1 40 5  35 o -1.306000      1.010000      ?             ?      
1 1 1 40 5  36 o 0.9312000      0.9763000     ?             ?      
1 1 1 40 5  37 o 0.5037000E-01  0.9726000     ?             ?      
1 1 1 40 5  38 o -0.7143000     0.9858000     ?             ?      
1 1 1 40 5  39 o -1.140000      1.188000      ?             ?      
1 1 1 40 5  40 o -0.7855000     1.174000      ?             ?      
1 1 1 40 5  41 o -0.4344000     0.9758000     ?             ?      
1 1 1 40 5  42 o 1.483000       0.9879000     ?             ?      
1 1 1 40 5  43 o 0.2888000      1.022000      ?             ?      
1 1 1 40 5  44 o 0.4277000      1.015000      ?             ?      
1 1 1 40 5  45 o 1.175000       1.030000      ?             ?      
1 1 1 40 5  46 o -0.1559000     1.074000      ?             ?      
1 1 1 40 5  47 o -0.7270000     1.117000      ?             ?      
1 1 1 40 5  48 o 1.433000       1.248000      ?             ?      
1 1 1 40 5  49 o 1.018000       1.294000      ?             ?      
1 1 1 40 5  50 o -0.5177000     1.253000      ?             ?      
1 1 1 40 5  51 o -0.6284000     1.283000      ?             ?      
1 1 1 40 5  52 o 1.193000       1.436000      ?             ?      
1 1 1 40 5  53 o 3.266000       1.459000      ?             ?      
1 1 1 40 6  0  o 0.6200000      1.288000      30.84383      -0.0   
1 1 1 40 6  1  o -0.2951000     0.9081000     46.90002      -134.0 
1 1 1 40 6  2  o -0.1789000     0.9117000     82.31225      4.5    
1 1 1 40 6  3  o -1.101000      0.9201000     25.80333      83.4   
1 1 1 40 6  4  o 1.736000       0.9182000     63.90962      80.1   
1 1 1 40 6  5  o 0.5397000      0.9240000     88.60159      153.0  
1 1 1 40 6  6  o -1.560000      0.9409000     110.3479      -87.2  
1 1 1 40 6  7  o 2.983000       0.9746000     49.62266      40.8   
1 1 1 40 6  8  o 0.5767000      0.9877000     83.46957      15.3   
1 1 1 40 6  9  o 2.546000       1.010000      91.90885      -152.4 
1 1 1 40 6  10 o 1.023000       1.113000      85.01432      3.2    
1 1 1 40 6  11 o -0.1378000     1.112000      74.76060      -22.7  
1 1 1 40 6  12 o 0.6949000      1.130000      168.8371      47.3   
1 1 1 40 6  13 o 0.7286000      1.155000      174.0497      -162.6 
1 1 1 40 6  14 o 0.2119000      1.136000      32.04887      116.8  
1 1 1 40 6  15 o 0.7584000      1.136000      192.9526      -169.6 
1 1 1 40 6  16 o 0.4885000      1.139000      80.51566      35.1   
1 1 1 40 6  17 o -0.3935000E-02 1.094000      157.5437      -137.6 
1 1 1 40 6  18 o 1.782000       1.065000      63.86959      92.1   
1 1 1 40 6  19 o 1.083000       1.176000      93.81466      136.2  
1 1 1 40 6  20 o 2.148000       1.189000      99.58360      103.7  
1 1 1 40 6  21 o 0.1902000      1.113000      17.20261      116.0  
1 1 1 40 6  22 o 0.9688000      1.153000      24.45039      132.9  
1 1 1 40 6  23 o 1.034000       1.273000      175.4002      -132.9 
1 1 1 40 6  24 o -0.6336000     1.196000      97.63065      157.5  
1 1 1 40 6  25 o -2.018000      1.196000      29.83433      -177.2 
1 1 1 40 6  26 o -0.7571000E-01 1.365000      69.62881      -172.6 
1 1 1 40 6  27 o -0.2739000     1.775000      123.0880      -64.1  
1 1 1 40 6  28 o 2.061000       1.521000      ?             ?      
1 1 1 40 6  29 o -0.6870000     1.237000      ?             ?      
1 1 1 40 6  30 o -0.8407000     1.032000      ?             ?      
1 1 1 40 6  31 f -0.2121000     1.061000      ?             ?      
1 1 1 40 6  32 o -2.554000      1.051000      ?             ?      
1 1 1 40 6  33 o 2.192000       1.115000      ?             ?      
1 1 1 40 6  34 o 0.5237000      1.141000      ?             ?      
1 1 1 40 6  35 o -0.8034000     1.092000      ?             ?      
1 1 1 40 6  36 o 1.367000       1.310000      ?             ?      
1 1 1 40 6  37 o -1.047000      1.117000      ?             ?      
1 1 1 40 6  38 o -0.4750000     0.9393000     ?             ?      
1 1 1 40 6  39 o 0.4430000      0.9658000     ?             ?      
1 1 1 40 6  40 o -0.2368000     0.9710000     ?             ?      
1 1 1 40 6  41 o -0.1596000     0.9784000     ?             ?      
1 1 1 40 6  42 o 1.045000       0.9858000     ?             ?      
1 1 1 40 6  43 o 0.8568000E-01  1.001000      ?             ?      
1 1 1 40 6  44 o 0.1034000      1.000000      ?             ?      
1 1 1 40 6  45 o -0.3764000     1.011000      ?             ?      
1 1 1 40 6  46 o -1.468000      1.012000      ?             ?      
1 1 1 40 6  47 o 0.8636000      1.024000      ?             ?      
1 1 1 40 6  48 o 0.8977000      1.240000      ?             ?      
1 1 1 40 6  49 o 0.1206000      1.455000      ?             ?      
1 1 1 40 6  50 o 1.055000       1.257000      ?             ?      
1 1 1 40 6  51 o 0.9586000      1.335000      ?             ?      
1 1 1 40 6  52 o 0.7064000      1.608000      ?             ?      
1 1 1 40 6  53 o 0.3936000      1.375000      ?             ?      
1 1 1 40 7  0  o -1.842000      1.311000      41.65366      -0.0   
1 1 1 40 7  1  o -0.5579000     0.9205000     51.72529      -162.0 
1 1 1 40 7  2  o -0.8130000     0.9265000     130.3310      -142.6 
1 1 1 40 7  3  o 0.5161000      0.9296000     97.77505      42.6   
1 1 1 40 7  4  o -0.1615000     0.9187000     79.59298      175.0  
1 1 1 40 7  5  o -0.7150000     0.9278000     134.6010      -120.4 
1 1 1 40 7  6  o 0.5026000      0.9278000     51.48045      158.3  
1 1 1 40 7  7  o 0.4184000      0.9613000     93.34153      79.1   
1 1 1 40 7  8  o 0.4426000      0.9736000     6.762026      -79.5  
1 1 1 40 7  9  o 0.2114000      1.009000      53.77407      -59.5  
1 1 1 40 7  10 o 2.795000       1.074000      78.59365      -135.4 
1 1 1 40 7  11 o -1.273000      1.110000      25.95091      10.4   
1 1 1 40 7  12 o 0.6747000      1.139000      59.75676      -101.6 
1 1 1 40 7  13 o 1.021000       1.148000      92.82323      69.0   
1 1 1 40 7  14 o 1.941000       1.157000      117.2818      -156.2 
1 1 1 40 7  15 o 1.682000       1.141000      95.75014      -44.4  
1 1 1 40 7  16 o 1.558000       1.136000      133.5823      -100.5 
1 1 1 40 7  17 o 1.291000       1.150000      108.7582      136.1  
1 1 1 40 7  18 o 1.018000       1.245000      83.68983      -121.4 
1 1 1 40 7  19 o 1.729000       1.125000      76.84853      17.6   
1 1 1 40 7  20 o -0.3216000     1.100000      131.2112      -61.7  
1 1 1 40 7  21 o -1.139000      1.071000      54.39603      -35.4  
1 1 1 40 7  22 o -1.144000      1.075000      54.97458      -127.6 
1 1 1 40 7  23 o 0.2262000      1.189000      78.49174      -34.4  
1 1 1 40 7  24 o -1.161000      1.193000      74.53818      -101.2 
1 1 1 40 7  25 o -0.2696000     1.250000      65.02663      166.2  
1 1 1 40 7  26 o 0.7993000      1.215000      40.65041      -10.1  
1 1 1 40 7  27 o -1.403000      1.499000      ?             ?      
1 1 1 40 7  28 o 2.080000       1.472000      ?             ?      
1 1 1 40 7  29 o -0.4598000     1.183000      ?             ?      
1 1 1 40 7  30 o -1.270000      1.024000      ?             ?      
1 1 1 40 7  31 o -0.6714000     1.010000      ?             ?      
1 1 1 40 7  32 o -0.6028000     1.045000      ?             ?      
1 1 1 40 7  33 o 0.8572000      1.051000      ?             ?      
1 1 1 40 7  34 o 0.2300000      1.213000      ?             ?      
1 1 1 40 7  35 o -0.6800000E-01 1.311000      ?             ?      
1 1 1 40 7  36 o -0.7419000     1.079000      ?             ?      
1 1 1 40 7  37 o -0.2584000     0.9685000     ?             ?      
1 1 1 40 7  38 o -1.075000      0.9440000     ?             ?      
1 1 1 40 7  39 o 0.6204000      0.9571000     ?             ?      
1 1 1 40 7  40 f -1.289000      0.9514000     ?             ?      
1 1 1 40 7  41 o 0.2023000      0.9638000     ?             ?      
1 1 1 40 7  42 o -1.023000      0.9760000     ?             ?      
1 1 1 40 7  43 o -1.040000      0.9920000     ?             ?      
1 1 1 40 7  44 o 1.058000       0.9982000     ?             ?      
1 1 1 40 7  45 o -1.359000      1.004000      ?             ?      
1 1 1 40 7  46 o 0.6600000      1.008000      ?             ?      
1 1 1 40 7  47 o -1.292000      1.027000      ?             ?      
1 1 1 40 7  48 o 0.7251000      1.237000      ?             ?      
1 1 1 40 7  49 o 1.611000       1.361000      ?             ?      
1 1 1 40 7  50 o -0.1713000     1.877000      ?             ?      
1 1 1 40 7  51 o -0.6620000     1.190000      ?             ?      
1 1 1 40 7  52 o -0.2868000     1.419000      ?             ?      
1 1 1 40 7  53 o -1.041000      1.374000      ?             ?      
1 1 1 40 8  0  o -1.728000      1.344000      119.2610      0.0    
1 1 1 40 8  1  o 0.2758000      0.9459000     93.96742      -153.5 
1 1 1 40 8  2  o -1.527000      0.9272000     36.29504      133.0  
1 1 1 40 8  3  o -0.4947000     0.9286000     79.75768      -102.9 
1 1 1 40 8  4  o 0.2895000E-01  0.9277000     18.71062      -21.4  
1 1 1 40 8  5  o -0.2408000     0.9920000     66.67197      -179.1 
1 1 1 40 8  6  o 0.6305000      0.9215000     55.08385      100.7  
1 1 1 40 8  7  o 0.7944000      0.9447000     49.06607      -18.6  
1 1 1 40 8  8  o 0.1231000E-02  0.9675000     15.56585      -8.6   
1 1 1 40 8  9  o -0.2766000     1.095000      9.669613      -137.3 
1 1 1 40 8  10 o 0.7229000      1.048000      85.07905      45.4   
1 1 1 40 8  11 o -1.811000      1.106000      58.22851      5.4    
1 1 1 40 8  12 o 0.9949000      1.132000      93.71902      93.6   
1 1 1 40 8  13 o 0.8597000      1.138000      79.41694      -125.8 
1 1 1 40 8  14 o -1.286000      1.138000      109.7796      90.5   
1 1 1 40 8  15 o 0.1467000      1.140000      60.57062      -104.1 
1 1 1 40 8  16 o -0.1214000     1.162000      54.37426      74.7   
1 1 1 40 8  17 o 1.038000       1.205000      10.19844      -134.2 
1 1 1 40 8  18 o 0.4535000      1.221000      104.0526      119.1  
1 1 1 40 8  19 o -1.794000      1.059000      104.4391      -19.7  
1 1 1 40 8  20 o 0.7624000      1.049000      32.34508      78.8   
1 1 1 40 8  21 o -0.6345000     1.168000      79.40182      -21.5  
1 1 1 40 8  22 o -0.7578000     1.063000      23.79449      12.3   
1 1 1 40 8  23 o -1.758000      1.199000      51.10501      -140.2 
1 1 1 40 8  24 o 0.5331000      1.203000      62.02121      123.5  
1 1 1 40 8  25 o 1.561000       1.331000      51.88968      -117.3 
1 1 1 40 8  26 o 0.7946000      1.228000      94.59273      -131.6 
1 1 1 40 8  27 o 1.146000       1.492000      ?             ?      
1 1 1 40 8  28 o -0.1382000     1.211000      ?             ?      
1 1 1 40 8  29 o 1.286000       1.195000      ?             ?      
1 1 1 40 8  30 o 0.3077000      1.202000      ?             ?      
1 1 1 40 8  31 o -0.6013000E-01 1.037000      ?             ?      
1 1 1 40 8  32 o -0.2723000     1.221000      ?             ?      
1 1 1 40 8  33 o 0.5534000      0.9817000     ?             ?      
1 1 1 40 8  34 o -0.8377000E-01 1.019000      ?             ?      
1 1 1 40 8  35 o -0.9363000     1.062000      ?             ?      
1 1 1 40 8  36 o -0.1539000     1.013000      ?             ?      
1 1 1 40 8  37 o -0.2496000     1.016000      ?             ?      
1 1 1 40 8  38 o 0.3932000E-01  0.9410000     ?             ?      
1 1 1 40 8  39 o 0.1982000      0.9457000     ?             ?      
1 1 1 40 8  40 o -1.098000      0.9425000     ?             ?      
1 1 1 40 8  41 o 0.2390000      0.9552000     ?             ?      
1 1 1 40 8  42 o -0.6774000     0.9824000     ?             ?      
1 1 1 40 8  43 o -0.7296000E-01 0.9855000     ?             ?      
1 1 1 40 8  44 o -1.328000      0.9897000     ?             ?      
1 1 1 40 8  45 o -0.9024000     0.9935000     ?             ?      
1 1 1 40 8  46 o -0.7823000E-01 1.011000      ?             ?      
1 1 1 40 8  47 o -1.917000      1.126000      ?             ?      
1 1 1 40 8  48 o 0.2580000      1.140000      ?             ?      
1 1 1 40 8  49 o -1.174000      1.213000      ?             ?      
1 1 1 40 8  50 o 0.8137000      1.265000      ?             ?      
1 1 1 40 8  51 o -0.2274000     1.178000      ?             ?      
1 1 1 40 8  52 o 1.346000       1.132000      ?             ?      
1 1 1 40 8  53 o 2.651000       2.245000      ?             ?      
1 1 1 40 9  0  o -2.387000      1.360000      13.68205      -180.0 
1 1 1 40 9  1  o -1.220000      0.9634000     110.1731      -163.8 
1 1 1 40 9  2  o 1.624000       0.9480000     51.63280      -143.4 
1 1 1 40 9  3  o -1.230000      0.9159000     54.12736      125.0  
1 1 1 40 9  4  o -1.321000      0.9171000     50.25548      156.1  
1 1 1 40 9  5  o 0.8352000      0.9187000     17.02296      115.4  
1 1 1 40 9  6  o -0.5957000     0.9301000     58.43365      -155.2 
1 1 1 40 9  7  o -0.4123000     0.9303000     19.70948      111.1  
1 1 1 40 9  8  o -2.036000      0.9712000     58.08399      39.6   
1 1 1 40 9  9  o 0.1250000      1.111000      31.27615      -138.1 
1 1 1 40 9  10 o 0.1025000      1.102000      77.37492      -171.1 
1 1 1 40 9  11 o -0.3530000     1.060000      17.23315      168.3  
1 1 1 40 9  12 o 0.2914000      1.131000      44.14039      8.9    
1 1 1 40 9  13 o -0.1233000     1.179000      83.68570      146.1  
1 1 1 40 9  14 o -1.738000      1.179000      61.02930      -112.0 
1 1 1 40 9  15 o -0.5149000     1.156000      34.95040      -9.6   
1 1 1 40 9  16 o -1.193000      1.130000      53.87255      -105.1 
1 1 1 40 9  17 o -0.3244000     1.145000      97.43587      167.6  
1 1 1 40 9  18 o -0.9665000     1.149000      35.39169      58.6   
1 1 1 40 9  19 o 0.2484000      1.171000      38.71896      -10.2  
1 1 1 40 9  20 o 0.7499000      1.040000      5.590536      33.3   
1 1 1 40 9  21 o -1.044000      1.052000      27.25205      144.4  
1 1 1 40 9  22 o -2.460000      1.203000      26.24705      22.9   
1 1 1 40 9  23 o 0.7277000      1.214000      67.05346      -28.6  
1 1 1 40 9  24 o -0.2058000     1.258000      40.15265      -55.5  
1 1 1 40 9  25 o 1.764000       1.439000      68.25974      -98.2  
1 1 1 40 9  26 o -1.235000      1.157000      ?             ?      
1 1 1 40 9  27 o -0.9844000     1.380000      ?             ?      
1 1 1 40 9  28 o -1.134000      1.254000      ?             ?      
1 1 1 40 9  29 o 1.020000       1.157000      ?             ?      
1 1 1 40 9  30 o -0.3802000     1.190000      ?             ?      
1 1 1 40 9  31 o -0.8516000     1.018000      ?             ?      
1 1 1 40 9  32 o 0.3717000E-01  1.001000      ?             ?      
1 1 1 40 9  33 o -0.1121000     0.9871000     ?             ?      
1 1 1 40 9  34 o 0.5917000      0.9709000     ?             ?      
1 1 1 40 9  35 o -1.617000      1.011000      ?             ?      
1 1 1 40 9  36 o 0.1935000E-01  1.007000      ?             ?      
1 1 1 40 9  37 o -0.4977000     1.029000      ?             ?      
1 1 1 40 9  38 o 0.3737000E-01  0.9978000     ?             ?      
1 1 1 40 9  39 o 0.1641000      0.9434000     ?             ?      
1 1 1 40 9  40 o -0.5882000E-01 0.9499000     ?             ?      
1 1 1 40 9  41 o -1.000000      0.9563000     ?             ?      
1 1 1 40 9  42 o -1.318000      0.9787000     ?             ?      
1 1 1 40 9  43 o 1.034000       0.9794000     ?             ?      
1 1 1 40 9  44 o -0.6857000     0.9905000     ?             ?      
1 1 1 40 9  45 o -0.4941000     0.9925000     ?             ?      
1 1 1 40 9  46 o -1.204000      0.9981000     ?             ?      
1 1 1 40 9  47 o -1.833000      1.131000      ?             ?      
1 1 1 40 9  48 o -0.1532000     1.567000      ?             ?      
1 1 1 40 9  49 o -0.4258000     1.159000      ?             ?      
1 1 1 40 9  50 o 0.6100000      1.203000      ?             ?      
1 1 1 40 9  51 o -0.1236000     1.170000      ?             ?      
1 1 1 40 9  52 o 0.3520000E-01  1.560000      ?             ?      
1 1 1 40 10 0  o 1.054000       1.361000      4.727679      -180.0 
1 1 1 40 10 1  o -1.657000      0.9606000     51.08057      -134.0 
1 1 1 40 10 2  o -0.6491000     0.9451000     28.39501      -85.5  
1 1 1 40 10 3  o 0.5045000      0.9299000     55.35730      157.9  
1 1 1 40 10 4  o -1.218000      0.9153000     8.442964      117.3  
1 1 1 40 10 5  o 0.8612000      0.9203000     19.35079      -72.6  
1 1 1 40 10 6  o -0.9659000     0.9271000     21.36558      82.8   
1 1 1 40 10 7  o -1.172000      0.9563000     44.67776      32.2   
1 1 1 40 10 8  o -0.6764000     1.133000      16.54424      -10.3  
1 1 1 40 10 9  o -0.8860000     1.046000      20.08823      -143.3 
1 1 1 40 10 10 o -0.8324000     1.054000      48.20235      21.9   
1 1 1 40 10 11 o 0.8074000      1.092000      50.11125      13.0   
1 1 1 40 10 12 o -1.180000      1.137000      44.55588      -55.7  
1 1 1 40 10 13 o -0.2389000     1.148000      33.28608      122.3  
1 1 1 40 10 14 o 2.209000       1.152000      21.23784      87.1   
1 1 1 40 10 15 o -1.717000      1.142000      74.39361      -10.7  
1 1 1 40 10 16 f -0.8568000     1.150000      49.61168      147.1  
1 1 1 40 10 17 o 1.185000       1.155000      38.42466      90.9   
1 1 1 40 10 18 o 0.7840000      1.148000      10.60883      -45.1  
1 1 1 40 10 19 o 1.203000       1.135000      32.07144      -110.1 
1 1 1 40 10 20 o -1.115000      1.075000      26.31136      49.9   
1 1 1 40 10 21 o -0.9597000     1.046000      40.58120      49.1   
1 1 1 40 10 22 o 2.142000       1.220000      32.17227      -98.0  
1 1 1 40 10 23 o -0.1070000E-01 1.285000      26.52465      89.0   
1 1 1 40 10 24 o -0.4089000     1.418000      14.26677      96.1   
1 1 1 40 10 25 o -0.7798000     1.239000      41.05881      -4.8   
1 1 1 40 10 26 o 0.2951000      1.170000      ?             ?      
1 1 1 40 10 27 o 0.2817000      1.301000      ?             ?      
1 1 1 40 10 28 o 1.489000       1.149000      ?             ?      
1 1 1 40 10 29 o -0.5201000     1.132000      ?             ?      
1 1 1 40 10 30 o 0.3371000      1.185000      ?             ?      
1 1 1 40 10 31 o -1.569000      1.018000      ?             ?      
1 1 1 40 10 32 o -0.4032000     1.000000      ?             ?      
1 1 1 40 10 33 o 0.5542000      1.035000      ?             ?      
1 1 1 40 10 34 o -2.064000      0.9618000     ?             ?      
1 1 1 40 10 35 o 0.3216000      0.9671000     ?             ?      
1 1 1 40 10 36 o -0.4435000     1.077000      ?             ?      
1 1 1 40 10 37 o 0.4934000E-01  1.032000      ?             ?      
1 1 1 40 10 38 o -0.2651000     1.033000      ?             ?      
1 1 1 40 10 39 o -0.1045000     0.9490000     ?             ?      
1 1 1 40 10 40 o 0.6149000      0.9523000     ?             ?      
1 1 1 40 10 41 o -0.4548000     0.9585000     ?             ?      
1 1 1 40 10 42 o -0.6081000     0.9685000     ?             ?      
1 1 1 40 10 43 o 0.2687000      0.9673000     ?             ?      
1 1 1 40 10 44 o -0.9644000E-01 0.9878000     ?             ?      
1 1 1 40 10 45 o -0.4115000     0.9773000     ?             ?      
1 1 1 40 10 46 o -0.2656000     1.005000      ?             ?      
1 1 1 40 10 47 o -1.156000      1.143000      ?             ?      
1 1 1 40 10 48 o -0.2121000     1.228000      ?             ?      
1 1 1 40 10 49 o 1.212000       1.196000      ?             ?      
1 1 1 40 10 50 o -0.5845000     1.092000      ?             ?      
1 1 1 40 10 51 o -0.4106000E-01 1.094000      ?             ?      
1 1 1 40 10 52 o -1.956000      1.096000      ?             ?      
1 1 1 40 11 0  o 1.112000       1.349000      40.51635      -0.0   
1 1 1 40 11 1  o -1.003000      0.9557000     61.28930      -121.2 
1 1 1 40 11 2  o -1.135000      0.9394000     11.79590      -85.6  
1 1 1 40 11 3  o -0.1255000     0.9356000     7.492447      99.2   
1 1 1 40 11 4  o 0.1607000      0.9470000     27.71760      67.4   
1 1 1 40 11 5  o 1.184000       0.9660000     9.703860      120.5  
1 1 1 40 11 6  o -1.575000      0.9437000     29.81531      132.8  
1 1 1 40 11 7  o -0.5297000     0.9488000     58.20830      11.3   
1 1 1 40 11 8  o -0.9070000     1.077000      19.49230      -166.4 
1 1 1 40 11 9  o 1.763000       1.116000      21.82952      44.3   
1 1 1 40 11 10 o 1.055000       1.071000      34.15729      144.4  
1 1 1 40 11 11 o -1.661000      1.037000      32.94607      -154.4 
1 1 1 40 11 12 o -0.2327000E-01 1.118000      17.68713      140.9  
1 1 1 40 11 13 o 0.8890000      1.131000      8.301276      -125.7 
1 1 1 40 11 14 o -0.6532000     1.142000      17.91308      -36.9  
1 1 1 40 11 15 o -0.2212000     1.147000      8.930656      108.9  
1 1 1 40 11 16 o 0.4151000      1.159000      34.42593      154.6  
1 1 1 40 11 17 o -2.403000      1.155000      44.14141      26.6   
1 1 1 40 11 18 o -0.2777000     1.140000      26.65740      176.8  
1 1 1 40 11 19 o -1.541000      1.124000      18.76094      63.3   
1 1 1 40 11 20 o 0.4727000      1.190000      12.03535      -14.2  
1 1 1 40 11 21 o -1.249000      1.104000      21.90368      8.0    
1 1 1 40 11 22 o 0.3834000      1.315000      26.99611      -28.6  
1 1 1 40 11 23 o -2.131000      1.390000      36.80507      -52.9  
1 1 1 40 11 24 o -1.263000      1.899000      19.61209      176.9  
1 1 1 40 11 25 o -0.7651000E-02 1.507000      ?             ?      
1 1 1 40 11 26 o 1.022000       1.099000      ?             ?      
1 1 1 40 11 27 o 1.056000       1.011000      ?             ?      
1 1 1 40 11 28 o -0.2592000     1.132000      ?             ?      
1 1 1 40 11 29 o -1.301000      1.127000      ?             ?      
1 1 1 40 11 30 o -0.3483000     1.160000      ?             ?      
1 1 1 40 11 31 o 1.364000       1.010000      ?             ?      
1 1 1 40 11 32 o -1.168000      0.9934000     ?             ?      
1 1 1 40 11 33 o -0.6476000     0.9810000     ?             ?      
1 1 1 40 11 34 o -0.1744000     0.9691000     ?             ?      
1 1 1 40 11 35 o 0.2589000      0.9587000     ?             ?      
1 1 1 40 11 36 o 0.7168000      1.021000      ?             ?      
1 1 1 40 11 37 o -1.080000      1.026000      ?             ?      
1 1 1 40 11 38 o -1.271000      1.020000      ?             ?      
1 1 1 40 11 39 o -0.6087000     1.006000      ?             ?      
1 1 1 40 11 40 o -1.268000      0.9595000     ?             ?      
1 1 1 40 11 41 o -0.9035000E-02 0.9559000     ?             ?      
1 1 1 40 11 42 o 0.2822000E-01  0.9612000     ?             ?      
1 1 1 40 11 43 o 0.8201000      0.9592000     ?             ?      
1 1 1 40 11 44 o -0.3152000     0.9664000     ?             ?      
1 1 1 40 11 45 o 0.2313000      0.9727000     ?             ?      
1 1 1 40 11 46 o -1.911000      1.101000      ?             ?      
1 1 1 40 11 47 o -2.004000      1.536000      ?             ?      
1 1 1 40 11 48 o 1.697000       1.761000      ?             ?      
1 1 1 40 11 49 o -0.7735000     1.138000      ?             ?      
1 1 1 40 11 50 o 0.2402000      1.099000      ?             ?      
1 1 1 40 11 51 o 0.9545000      1.066000      ?             ?      
1 1 1 40 11 52 o 0.1390000      1.101000      ?             ?      
1 1 1 40 12 0  o -0.7608000     1.327000      29.19259      180.0  
1 1 1 40 12 1  o -0.2676000     0.9403000     15.29353      -69.0  
1 1 1 40 12 2  o -1.442000      0.9725000     12.36585      93.3   
1 1 1 40 12 3  o 0.7736000      0.9503000     49.05185      110.8  
1 1 1 40 12 4  o -1.188000      0.9391000     41.60126      -26.2  
1 1 1 40 12 5  o -1.607000      1.023000      8.043324      160.2  
1 1 1 40 12 6  o -0.9648000     1.025000      32.22802      175.4  
1 1 1 40 12 7  o 0.6995000      1.015000      20.58244      124.5  
1 1 1 40 12 8  o -0.7612000E-01 1.028000      77.65688      56.4   
1 1 1 40 12 9  o -0.9526000     1.033000      59.33727      -151.1 
1 1 1 40 12 10 o -1.853000      1.036000      66.36535      71.0   
1 1 1 40 12 11 o -1.053000      1.044000      7.888881      20.8   
1 1 1 40 12 12 o -0.8481000     1.037000      48.02641      -135.1 
1 1 1 40 12 13 o -1.690000      1.129000      46.03434      120.9  
1 1 1 40 12 14 o -1.435000      1.152000      35.99231      38.2   
1 1 1 40 12 15 o -2.446000      1.152000      9.924142      -125.6 
1 1 1 40 12 16 o 0.4084000      1.154000      88.51495      126.6  
1 1 1 40 12 17 o -1.268000      1.146000      1.740733      -33.6  
1 1 1 40 12 18 o 0.6880000E-01  1.162000      33.70269      -46.4  
1 1 1 40 12 19 o -1.073000      1.217000      16.95766      -104.2 
1 1 1 40 12 20 o -1.163000      1.197000      21.96168      123.9  
1 1 1 40 12 21 o -2.552000      1.330000      65.16411      -14.1  
1 1 1 40 12 22 o 1.097000       1.462000      45.59078      152.3  
1 1 1 40 12 23 o 2.893000       1.561000      44.69320      117.9  
1 1 1 40 12 24 o 1.227000       1.400000      16.87461      -32.9  
1 1 1 40 12 25 o 0.4619000      1.122000      ?             ?      
1 1 1 40 12 26 o -1.047000      1.088000      ?             ?      
1 1 1 40 12 27 f -0.7887000     0.9940000     ?             ?      
1 1 1 40 12 28 o -0.4933000     1.124000      ?             ?      
1 1 1 40 12 29 o -0.4495000     1.128000      ?             ?      
1 1 1 40 12 30 o 0.4355000      1.130000      ?             ?      
1 1 1 40 12 31 o 1.499000       1.162000      ?             ?      
1 1 1 40 12 32 o 0.3868000      0.9990000     ?             ?      
1 1 1 40 12 33 o 0.8417000E-01  0.9898000     ?             ?      
1 1 1 40 12 34 o -0.5515000E-01 0.9348000     ?             ?      
1 1 1 40 12 35 o -0.4528000E-01 0.9855000     ?             ?      
1 1 1 40 12 36 o 0.7534000      0.9840000     ?             ?      
1 1 1 40 12 37 o 0.6313000      1.077000      ?             ?      
1 1 1 40 12 38 o -0.5861000     1.019000      ?             ?      
1 1 1 40 12 39 o 0.2263000      1.027000      ?             ?      
1 1 1 40 12 40 o -1.635000      0.9525000     ?             ?      
1 1 1 40 12 41 o -0.7119000     0.9520000     ?             ?      
1 1 1 40 12 42 o -0.2772000     0.9563000     ?             ?      
1 1 1 40 12 43 o 0.5488000E-02  0.9554000     ?             ?      
1 1 1 40 12 44 o -1.798000      0.9625000     ?             ?      
1 1 1 40 12 45 o 1.146000       0.9891000     ?             ?      
1 1 1 40 12 46 o -0.4615000     1.107000      ?             ?      
1 1 1 40 12 47 o 0.4232000      1.168000      ?             ?      
1 1 1 40 12 48 o 0.3143000      1.180000      ?             ?      
1 1 1 40 12 49 o -0.5834000     1.129000      ?             ?      
1 1 1 40 12 50 o -0.6925000E-01 1.055000      ?             ?      
1 1 1 40 12 51 o -1.324000      1.058000      ?             ?      
1 1 1 40 12 52 o 1.647000       2.192000      ?             ?      
1 1 1 40 13 0  o -0.5533000     1.383000      37.30272      180.0  
1 1 1 40 13 1  o 1.205000       0.9798000     75.57075      -110.7 
1 1 1 40 13 2  o -0.9708000     0.9450000     77.46165      -10.6  
1 1 1 40 13 3  o 0.5173000      1.008000      94.12080      64.1   
1 1 1 40 13 4  o -0.8674000     1.089000      12.86242      94.5   
1 1 1 40 13 5  o 1.934000       0.9817000     126.7984      -34.2  
1 1 1 40 13 6  o -1.905000      0.9522000     46.82998      -106.0 
1 1 1 40 13 7  o 1.537000       1.055000      32.54508      25.1   
1 1 1 40 13 8  o -0.1540000     1.032000      114.1016      -152.9 
1 1 1 40 13 9  o 0.1751000      1.034000      41.24693      86.4   
1 1 1 40 13 10 o 0.3343000      1.043000      52.98815      139.4  
1 1 1 40 13 11 o -0.2619000     1.047000      44.82179      167.0  
1 1 1 40 13 12 o 1.161000       1.055000      87.97148      -129.5 
1 1 1 40 13 13 o 1.567000       1.145000      25.96401      148.2  
1 1 1 40 13 14 o -0.3472000     1.161000      22.97980      -177.5 
1 1 1 40 13 15 o -0.7401000     1.187000      12.30174      -154.2 
1 1 1 40 13 16 o -0.5149000     1.186000      55.65400      9.5    
1 1 1 40 13 17 o 0.5712000      1.158000      30.86474      13.4   
1 1 1 40 13 18 o -0.6928000     1.119000      27.25704      -138.4 
1 1 1 40 13 19 o -0.9988000     1.342000      20.41450      107.6  
1 1 1 40 13 20 o -2.582000      1.460000      53.89174      -12.3  
1 1 1 40 13 21 o 0.8581000      1.402000      5.595938      -117.5 
1 1 1 40 13 22 o 1.125000       1.447000      23.41020      114.2  
1 1 1 40 13 23 o 1.264000       1.323000      14.70143      57.1   
1 1 1 40 13 24 o 1.672000       1.201000      ?             ?      
1 1 1 40 13 25 o 0.3898000      1.107000      ?             ?      
1 1 1 40 13 26 o 0.4492000      1.054000      ?             ?      
1 1 1 40 13 27 o 1.152000       0.9880000     ?             ?      
1 1 1 40 13 28 o -0.6312000     1.117000      ?             ?      
1 1 1 40 13 29 o -0.7102000     1.107000      ?             ?      
1 1 1 40 13 30 o 1.146000       1.115000      ?             ?      
1 1 1 40 13 31 o -0.1038000     1.150000      ?             ?      
1 1 1 40 13 32 o -2.474000      1.004000      ?             ?      
1 1 1 40 13 33 o -1.402000      1.004000      ?             ?      
1 1 1 40 13 34 o 0.2831000      0.9409000     ?             ?      
1 1 1 40 13 35 o -2.347000      0.9722000     ?             ?      
1 1 1 40 13 36 o 0.5527000      0.9737000     ?             ?      
1 1 1 40 13 37 o 0.2436000      1.008000      ?             ?      
1 1 1 40 13 38 o 0.2094000      1.024000      ?             ?      
1 1 1 40 13 39 o 1.061000       1.053000      ?             ?      
1 1 1 40 13 40 o 1.649000       1.034000      ?             ?      
1 1 1 40 13 41 o 1.009000       0.9785000     ?             ?      
1 1 1 40 13 42 o -0.3120000     0.9779000     ?             ?      
1 1 1 40 13 43 o 0.3418000      0.9706000     ?             ?      
1 1 1 40 13 44 o 1.278000       0.9695000     ?             ?      
1 1 1 40 13 45 o 0.8242000      1.090000      ?             ?      
1 1 1 40 13 46 o -2.282000      1.129000      ?             ?      
1 1 1 40 13 47 o -0.7482000     1.127000      ?             ?      
1 1 1 40 13 48 o 0.7530000      1.133000      ?             ?      
1 1 1 40 13 49 o -0.4451000     1.081000      ?             ?      
1 1 1 40 13 50 o 1.397000       1.060000      ?             ?      
1 1 1 40 13 51 o -0.4447000     1.097000      ?             ?      
1 1 1 40 14 0  o -0.1048000     1.442000      55.49594      -0.0   
1 1 1 40 14 1  o -1.552000      1.113000      94.00792      -53.3  
1 1 1 40 14 2  o -0.6540000     1.007000      53.11012      71.8   
1 1 1 40 14 3  o 0.8288000      0.9614000     96.16698      124.9  
1 1 1 40 14 4  o 0.2840000      0.9684000     46.18960      48.6   
1 1 1 40 14 5  o -0.7401000E-01 0.9292000     52.02835      -65.5  
1 1 1 40 14 6  o 0.1020000      0.9420000     74.28214      64.7   
1 1 1 40 14 7  o 1.046000       1.042000      81.68388      -48.8  
1 1 1 40 14 8  o 1.640000       1.047000      110.4419      148.9  
1 1 1 40 14 9  o -0.9679000     1.052000      142.2532      -96.3  
1 1 1 40 14 10 o -0.4946000     1.045000      35.93728      -50.5  
1 1 1 40 14 11 o -0.5558000     1.045000      19.97319      -53.0  
1 1 1 40 14 12 o 1.178000       1.058000      9.139167      -102.7 
1 1 1 40 14 13 o 0.5511000      1.170000      82.13316      -89.2  
1 1 1 40 14 14 o 1.476000       1.232000      36.57297      -44.8  
1 1 1 40 14 15 o -0.9367000     1.188000      93.39713      115.9  
1 1 1 40 14 16 o 0.6124000      1.172000      111.4008      110.7  
1 1 1 40 14 17 o 1.744000       1.283000      23.80406      57.6   
1 1 1 40 14 18 f -0.8376000E-02 1.334000      47.92168      -43.0  
1 1 1 40 14 19 o 0.4600000      1.341000      43.13876      -84.8  
1 1 1 40 14 20 o 0.6732000      1.337000      43.20087      -128.5 
1 1 1 40 14 21 o -0.4516000     1.373000      57.36206      16.6   
1 1 1 40 14 22 o 0.2781000      1.453000      88.17886      123.7  
1 1 1 40 14 23 o 0.5000000      1.421000      ?             ?      
1 1 1 40 14 24 o 1.087000       1.116000      ?             ?      
1 1 1 40 14 25 o 0.8265000      1.065000      ?             ?      
1 1 1 40 14 26 o -0.1102000     0.9930000     ?             ?      
1 1 1 40 14 27 o -0.3812000     0.9783000     ?             ?      
1 1 1 40 14 28 o -0.4593000     1.120000      ?             ?      
1 1 1 40 14 29 o 0.3429000      1.115000      ?             ?      
1 1 1 40 14 30 o -0.3232000     1.107000      ?             ?      
1 1 1 40 14 31 o 0.4080000      1.151000      ?             ?      
1 1 1 40 14 32 o 2.726000       1.017000      ?             ?      
1 1 1 40 14 33 o 0.5655000      0.9990000     ?             ?      
1 1 1 40 14 34 o 0.9203000      1.003000      ?             ?      
1 1 1 40 14 35 o -0.5222000     0.9656000     ?             ?      
1 1 1 40 14 36 o -1.124000      0.9974000     ?             ?      
1 1 1 40 14 37 o -0.7176000     0.9917000     ?             ?      
1 1 1 40 14 38 o 0.4015000      1.043000      ?             ?      
1 1 1 40 14 39 o -0.6400000     1.047000      ?             ?      
1 1 1 40 14 40 o 0.7095000      1.062000      ?             ?      
1 1 1 40 14 41 o -1.335000      0.9800000     ?             ?      
1 1 1 40 14 42 o 0.8299000      0.9790000     ?             ?      
1 1 1 40 14 43 o -0.2048000     0.9706000     ?             ?      
1 1 1 40 14 44 o -0.8102000     0.9687000     ?             ?      
1 1 1 40 14 45 o -0.6799000     1.077000      ?             ?      
1 1 1 40 14 46 o -0.3707000     1.131000      ?             ?      
1 1 1 40 14 47 o 0.5996000      1.143000      ?             ?      
1 1 1 40 14 48 o 0.1107000      1.108000      ?             ?      
1 1 1 40 14 49 o -0.4921000     1.043000      ?             ?      
1 1 1 40 14 50 o 0.9090000      1.037000      ?             ?      
1 1 1 40 14 51 o -0.8473000     1.089000      ?             ?      
1 1 1 40 15 0  o -0.8700000     1.531000      10.86675      -180.0 
1 1 1 40 15 1  o 0.3427000      1.009000      80.49986      20.4   
1 1 1 40 15 2  o -0.7132000     0.9791000     61.54016      42.5   
1 1 1 40 15 3  o -0.9936000     0.9322000     63.93801      -177.7 
1 1 1 40 15 4  o 0.7682000E-03  0.9311000     23.30231      -132.1 
1 1 1 40 15 5  o -1.220000      0.9688000     114.0439      3.2    
1 1 1 40 15 6  o -1.016000      1.081000      25.12278      -152.4 
1 1 1 40 15 7  o -0.2327000     1.035000      94.88301      -162.2 
1 1 1 40 15 8  o 0.2189000      1.040000      103.4087      -52.0  
1 1 1 40 15 9  o 0.1071000      1.053000      89.27360      21.9   
1 1 1 40 15 10 o -0.9501000     1.082000      115.6885      70.0   
1 1 1 40 15 11 o 2.352000       1.088000      38.74084      49.6   
1 1 1 40 15 12 o -0.8623000     1.098000      69.16689      -131.1 
1 1 1 40 15 13 o 1.688000       1.086000      123.4566      47.3   
1 1 1 40 15 14 o -0.8017000     1.266000      16.86814      -102.7 
1 1 1 40 15 15 o 0.4301000      1.278000      61.59466      136.2  
1 1 1 40 15 16 o 1.024000       1.159000      36.83093      158.2  
1 1 1 40 15 17 o -1.639000      1.151000      51.42688      9.8    
1 1 1 40 15 18 o 0.6843000      1.213000      29.57914      94.9   
1 1 1 40 15 19 o 0.6510000E-01  1.222000      46.79343      16.8   
1 1 1 40 15 20 o -1.180000      1.388000      26.02248      -161.7 
1 1 1 40 15 21 o -2.496000      1.416000      98.87966      151.8  
1 1 1 40 15 22 o -1.770000      1.340000      ?             ?      
1 1 1 40 15 23 o 0.2529000      1.395000      ?             ?      
1 1 1 40 15 24 o 0.7118000      1.144000      ?             ?      
1 1 1 40 15 25 o -1.426000      1.039000      ?             ?      
1 1 1 40 15 26 o -0.2090000     0.9853000     ?             ?      
1 1 1 40 15 27 o 1.591000       0.9737000     ?             ?      
1 1 1 40 15 28 f 0.2101000E-01  1.119000      ?             ?      
1 1 1 40 15 29 o -1.686000      1.114000      ?             ?      
1 1 1 40 15 30 o -0.9982000E-01 1.116000      ?             ?      
1 1 1 40 15 31 o 0.7860000      1.151000      ?             ?      
1 1 1 40 15 32 o -0.5373000     1.011000      ?             ?      
1 1 1 40 15 33 o 0.7611000      1.011000      ?             ?      
1 1 1 40 15 34 o -0.3881000     1.028000      ?             ?      
1 1 1 40 15 35 o -0.1078000     0.9633000     ?             ?      
1 1 1 40 15 36 o -0.3499000     1.005000      ?             ?      
1 1 1 40 15 37 o 1.099000       1.015000      ?             ?      
1 1 1 40 15 38 o -2.661000      1.053000      ?             ?      
1 1 1 40 15 39 o -0.2065000     1.072000      ?             ?      
1 1 1 40 15 40 o 1.467000       1.057000      ?             ?      
1 1 1 40 15 41 o -0.4615000     1.033000      ?             ?      
1 1 1 40 15 42 o 0.3543000      0.9643000     ?             ?      
1 1 1 40 15 43 o 0.3938000      0.9679000     ?             ?      
1 1 1 40 15 44 o 0.4253000      0.9966000     ?             ?      
1 1 1 40 15 45 o -0.6480000     1.100000      ?             ?      
1 1 1 40 15 46 o 0.9173000      1.184000      ?             ?      
1 1 1 40 15 47 o 0.4101000      1.074000      ?             ?      
1 1 1 40 15 48 o 0.3206000      1.069000      ?             ?      
1 1 1 40 15 49 o -0.9038000     1.031000      ?             ?      
1 1 1 40 15 50 o 0.2919000      1.047000      ?             ?      
1 1 1 40 15 51 o -1.179000      2.525000      ?             ?      
1 1 1 40 16 0  o -0.7041000     1.319000      93.15233      -0.0   
1 1 1 40 16 1  o 1.354000       0.9214000     89.48067      -35.9  
1 1 1 40 16 2  o -1.057000      0.9216000     31.45177      92.0   
1 1 1 40 16 3  o 0.9026000      1.037000      99.38110      -146.2 
1 1 1 40 16 4  o -0.1288000     1.146000      24.59653      -81.8  
1 1 1 40 16 5  o 1.342000       1.017000      110.6226      -31.1  
1 1 1 40 16 6  o 1.882000       1.084000      114.3820      117.0  
1 1 1 40 16 7  o 0.4973000      1.044000      66.56006      122.5  
1 1 1 40 16 8  o 1.376000       1.103000      27.32697      17.0   
1 1 1 40 16 9  o 0.4166000      1.140000      101.6330      -28.9  
1 1 1 40 16 10 o 1.879000       1.102000      77.02800      111.8  
1 1 1 40 16 11 o 1.500000       1.077000      118.2120      166.5  
1 1 1 40 16 12 o -0.2424000     1.146000      86.63281      -52.6  
1 1 1 40 16 13 o 3.071000       1.118000      144.6857      -87.6  
1 1 1 40 16 14 o 0.2990000      1.166000      83.33560      64.1   
1 1 1 40 16 15 o 0.5176000      1.158000      101.8620      113.1  
1 1 1 40 16 16 o 0.7780000      1.146000      68.12191      177.6  
1 1 1 40 16 17 o -0.6248000     1.178000      35.62224      137.7  
1 1 1 40 16 18 o 0.2891000      1.224000      13.28756      21.5   
1 1 1 40 16 19 o 1.800000       1.362000      120.4714      -105.8 
1 1 1 40 16 20 o -1.777000      1.374000      15.07638      -84.9  
1 1 1 40 16 21 o -1.753000      1.312000      ?             ?      
1 1 1 40 16 22 o -0.7249000E-01 1.390000      ?             ?      
1 1 1 40 16 23 o 2.057000       1.281000      ?             ?      
1 1 1 40 16 24 o -1.475000      1.242000      ?             ?      
1 1 1 40 16 25 o -0.7756000     1.002000      ?             ?      
1 1 1 40 16 26 f -0.9330000     0.9889000     ?             ?      
1 1 1 40 16 27 o -0.8986000     0.9950000     ?             ?      
1 1 1 40 16 28 o -0.4009000     1.110000      ?             ?      
1 1 1 40 16 29 o 0.2025000      1.120000      ?             ?      
1 1 1 40 16 30 o -0.3914000     1.115000      ?             ?      
1 1 1 40 16 31 o 1.760000       1.155000      ?             ?      
1 1 1 40 16 32 o 0.3745000      1.005000      ?             ?      
1 1 1 40 16 33 o -0.1339000     0.9929000     ?             ?      
1 1 1 40 16 34 o 0.7230000E-02  1.019000      ?             ?      
1 1 1 40 16 35 o -1.029000      0.9665000     ?             ?      
1 1 1 40 16 36 o 0.5749000      0.9742000     ?             ?      
1 1 1 40 16 37 o 1.420000       1.024000      ?             ?      
1 1 1 40 16 38 o 0.8965000      1.028000      ?             ?      
1 1 1 40 16 39 o -1.362000      1.062000      ?             ?      
1 1 1 40 16 40 o 0.5674000      1.069000      ?             ?      
1 1 1 40 16 41 o 1.142000       1.068000      ?             ?      
1 1 1 40 16 42 o -0.8280000     0.9684000     ?             ?      
1 1 1 40 16 43 o -0.7015000     0.9708000     ?             ?      
1 1 1 40 16 44 o -0.9547000E-01 1.126000      ?             ?      
1 1 1 40 16 45 o -2.736000      1.116000      ?             ?      
1 1 1 40 16 46 o 0.3108000      1.078000      ?             ?      
1 1 1 40 16 47 o -0.4057000     1.082000      ?             ?      
1 1 1 40 16 48 o 0.8239000      1.026000      ?             ?      
1 1 1 40 16 49 o 0.4737000      1.034000      ?             ?      
1 1 1 40 16 50 o -2.829000      1.478000      ?             ?      
1 1 1 40 17 0  o 0.4887000      1.355000      120.7477      0.0    
1 1 1 40 17 1  o -1.727000      0.9480000     59.71798      -172.3 
1 1 1 40 17 2  o 2.574000       0.9352000     110.1082      -141.1 
1 1 1 40 17 3  o 0.5474000      0.9623000     100.0740      -111.9 
1 1 1 40 17 4  o 1.086000       0.9477000     161.1827      -30.5  
1 1 1 40 17 5  o 0.1421000      1.015000      185.7922      -28.5  
1 1 1 40 17 6  o 0.7302000      1.149000      184.2788      161.2  
1 1 1 40 17 7  o 4.112000       1.230000      207.6784      177.0  
1 1 1 40 17 8  o 1.459000       1.175000      94.60612      -12.0  
1 1 1 40 17 9  o -0.1596000E-01 1.118000      65.47015      27.2   
1 1 1 40 17 10 o 2.243000       1.148000      81.81316      4.9    
1 1 1 40 17 11 o 1.143000       1.098000      103.3658      29.5   
1 1 1 40 17 12 o 1.653000       1.072000      114.1167      -30.4  
1 1 1 40 17 13 o 2.299000       1.087000      160.6122      49.5   
1 1 1 40 17 14 o 1.226000       1.149000      113.9418      -72.4  
1 1 1 40 17 15 o -0.6385000     1.141000      26.70576      133.8  
1 1 1 40 17 16 o 3.969000       1.209000      102.0966      -125.4 
1 1 1 40 17 17 o 1.494000       1.251000      108.6167      28.7   
1 1 1 40 17 18 o 3.303000       1.413000      83.80077      136.8  
1 1 1 40 17 19 o 0.1923000      1.409000      31.16673      -143.9 
1 1 1 40 17 20 o -1.259000      1.409000      ?             ?      
1 1 1 40 17 21 o -0.7740000     1.296000      ?             ?      
1 1 1 40 17 22 o -0.2807000     1.354000      ?             ?      
1 1 1 40 17 23 o 0.7875000      1.253000      ?             ?      
1 1 1 40 17 24 o 0.4640000      1.221000      ?             ?      
1 1 1 40 17 25 o -1.762000      1.123000      ?             ?      
1 1 1 40 17 26 o 0.2233000E-01  0.9973000     ?             ?      
1 1 1 40 17 27 o 0.1945000      0.9894000     ?             ?      
1 1 1 40 17 28 o 2.225000       1.131000      ?             ?      
1 1 1 40 17 29 o -0.5806000     1.111000      ?             ?      
1 1 1 40 17 30 o -0.4179000     1.113000      ?             ?      
1 1 1 40 17 31 o -0.1760000     1.098000      ?             ?      
1 1 1 40 17 32 o -1.596000      1.003000      ?             ?      
1 1 1 40 17 33 o -0.2038000     1.013000      ?             ?      
1 1 1 40 17 34 o -0.6212000E-02 1.017000      ?             ?      
1 1 1 40 17 35 o -0.7881000     0.9680000     ?             ?      
1 1 1 40 17 36 o -0.2524000     0.9643000     ?             ?      
1 1 1 40 17 37 o -1.172000      1.017000      ?             ?      
1 1 1 40 17 38 o 0.1333000      1.019000      ?             ?      
1 1 1 40 17 39 o -0.1784000     1.063000      ?             ?      
1 1 1 40 17 40 o -1.338000      1.083000      ?             ?      
1 1 1 40 17 41 o 1.056000       1.075000      ?             ?      
1 1 1 40 17 42 o -0.6125000     1.057000      ?             ?      
1 1 1 40 17 43 o -0.3084000     0.9868000     ?             ?      
1 1 1 40 17 44 o -1.223000      1.120000      ?             ?      
1 1 1 40 17 45 o 0.4897000      1.229000      ?             ?      
1 1 1 40 17 46 o -0.9399000     1.097000      ?             ?      
1 1 1 40 17 47 o -0.6557000     1.022000      ?             ?      
1 1 1 40 17 48 o -0.8341000     1.017000      ?             ?      
1 1 1 40 17 49 o 1.359000       1.033000      ?             ?      
1 1 1 40 17 50 o 2.880000       1.327000      ?             ?      
1 1 1 40 18 0  o 1.908000       1.381000      17.78699      -180.0 
1 1 1 40 18 1  o 1.591000       0.9833000     183.2638      -53.5  
1 1 1 40 18 2  o 0.2542000      1.011000      117.6936      -92.1  
1 1 1 40 18 3  o 0.5300000      0.9904000     153.5222      35.6   
1 1 1 40 18 4  o 0.7011000E-01  1.026000      178.3124      46.7   
1 1 1 40 18 5  o 2.622000       1.149000      98.20894      -99.0  
1 1 1 40 18 6  o 0.8097000      1.102000      115.7974      167.9  
1 1 1 40 18 7  o 1.242000       1.114000      164.5298      -56.4  
1 1 1 40 18 8  o 2.165000       1.072000      145.3759      16.7   
1 1 1 40 18 9  o 0.7125000      1.060000      91.72628      78.5   
1 1 1 40 18 10 o 0.6867000      1.180000      129.6708      156.2  
1 1 1 40 18 11 o 1.621000       1.195000      157.6744      56.1   
1 1 1 40 18 12 o -0.5706000     1.060000      109.7090      -23.3  
1 1 1 40 18 13 o 0.8173000      1.105000      63.54545      88.2   
1 1 1 40 18 14 o 1.381000       1.179000      71.90494      56.9   
1 1 1 40 18 15 o -1.035000      1.154000      0.9229917     23.9   
1 1 1 40 18 16 o -0.6407000     1.267000      141.3539      -162.5 
1 1 1 40 18 17 o 1.249000       1.461000      137.5492      -10.2  
1 1 1 40 18 18 o 0.5768000      1.400000      81.67655      -101.0 
1 1 1 40 18 19 o 0.5602000      1.448000      ?             ?      
1 1 1 40 18 20 o 0.8683000      1.308000      ?             ?      
1 1 1 40 18 21 o -1.149000      1.221000      ?             ?      
1 1 1 40 18 22 o 1.629000       1.359000      ?             ?      
1 1 1 40 18 23 o -0.3753000E-01 1.223000      ?             ?      
1 1 1 40 18 24 o 1.639000       1.210000      ?             ?      
1 1 1 40 18 25 o 0.6730000      1.087000      ?             ?      
1 1 1 40 18 26 o 0.2120000      1.109000      ?             ?      
1 1 1 40 18 27 o 0.8925000      0.9956000     ?             ?      
1 1 1 40 18 28 o 0.6843000      1.103000      ?             ?      
1 1 1 40 18 29 o -1.151000      1.097000      ?             ?      
1 1 1 40 18 30 o -0.6930000     1.099000      ?             ?      
1 1 1 40 18 31 o 1.091000       1.089000      ?             ?      
1 1 1 40 18 32 o -1.606000      1.129000      ?             ?      
1 1 1 40 18 33 o 0.8911000      1.029000      ?             ?      
1 1 1 40 18 34 o 0.7986000      1.022000      ?             ?      
1 1 1 40 18 35 o 1.693000       0.9745000     ?             ?      
1 1 1 40 18 36 o 0.7318000      0.9718000     ?             ?      
1 1 1 40 18 37 o 0.9424000      0.9759000     ?             ?      
1 1 1 40 18 38 o 0.2501000      1.009000      ?             ?      
1 1 1 40 18 39 o 0.7784000E-01  1.022000      ?             ?      
1 1 1 40 18 40 o 0.6184000      1.087000      ?             ?      
1 1 1 40 18 41 o -0.1766000     1.095000      ?             ?      
1 1 1 40 18 42 o -0.1277000     1.099000      ?             ?      
1 1 1 40 18 43 o 0.1217000      1.135000      ?             ?      
1 1 1 40 18 44 o -1.584000      1.132000      ?             ?      
1 1 1 40 18 45 o -0.4399000     1.087000      ?             ?      
1 1 1 40 18 46 o -1.451000      1.089000      ?             ?      
1 1 1 40 18 47 f -0.3117000     1.034000      ?             ?      
1 1 1 40 18 48 o 0.6853000E-01  1.028000      ?             ?      
1 1 1 40 18 49 o -0.2591000     1.070000      ?             ?      
1 1 1 40 19 0  o 2.593000       1.520000      157.1713      0.0    
1 1 1 40 19 1  o 1.020000       1.105000      112.8173      -152.5 
1 1 1 40 19 2  o -0.6524000     1.058000      31.72956      176.5  
1 1 1 40 19 3  o -0.1400000     0.9724000     45.46695      -40.1  
1 1 1 40 19 4  o 0.3443000E-01  0.9883000     177.6197      -6.5   
1 1 1 40 19 5  o 1.211000       1.087000      126.7485      -120.6 
1 1 1 40 19 6  o 1.204000       1.044000      143.7344      174.5  
1 1 1 40 19 7  o 1.148000       1.064000      146.4363      167.8  
1 1 1 40 19 8  o 6.168000       1.131000      340.4409      -10.7  
1 1 1 40 19 9  o 3.095000       1.058000      41.08532      101.2  
1 1 1 40 19 10 o 0.1968000      1.040000      44.94826      146.3  
1 1 1 40 19 11 o -0.4012000     1.045000      6.782959      175.6  
1 1 1 40 19 12 o 2.331000       1.190000      80.20917      84.0   
1 1 1 40 19 13 o 1.500000       1.198000      139.2920      2.7    
1 1 1 40 19 14 o 0.6393000      1.069000      113.1569      -97.1  
1 1 1 40 19 15 o 1.093000       1.292000      81.58203      -38.8  
1 1 1 40 19 16 o 1.039000       1.331000      28.29747      54.7   
1 1 1 40 19 17 o 3.542000       1.494000      86.35836      84.9   
1 1 1 40 19 18 o 2.031000       1.453000      ?             ?      
1 1 1 40 19 19 o 0.8060000      1.325000      ?             ?      
1 1 1 40 19 20 o 1.783000       1.214000      ?             ?      
1 1 1 40 19 21 o 1.689000       1.357000      ?             ?      
1 1 1 40 19 22 o 0.6415000      1.244000      ?             ?      
1 1 1 40 19 23 o -1.750000      1.210000      ?             ?      
1 1 1 40 19 24 o -2.492000      1.065000      ?             ?      
1 1 1 40 19 25 o 1.303000       1.075000      ?             ?      
1 1 1 40 19 26 o 0.6764000E-01  1.076000      ?             ?      
1 1 1 40 19 27 o -0.2608000     1.115000      ?             ?      
1 1 1 40 19 28 o 0.2382000      1.086000      ?             ?      
1 1 1 40 19 29 o 0.2718000      1.089000      ?             ?      
1 1 1 40 19 30 o 0.2502000      1.083000      ?             ?      
1 1 1 40 19 31 o 0.1869000      1.091000      ?             ?      
1 1 1 40 19 32 o 1.945000       1.147000      ?             ?      
1 1 1 40 19 33 o -1.538000      1.034000      ?             ?      
1 1 1 40 19 34 o -0.1329000     1.036000      ?             ?      
1 1 1 40 19 35 o -0.4064000     1.025000      ?             ?      
1 1 1 40 19 36 o -0.3988000E-02 0.9673000     ?             ?      
1 1 1 40 19 37 o 1.121000       0.9727000     ?             ?      
1 1 1 40 19 38 o 0.9940000      1.008000      ?             ?      
1 1 1 40 19 39 o 0.3655000      1.015000      ?             ?      
1 1 1 40 19 40 o 0.6380000      1.024000      ?             ?      
1 1 1 40 19 41 o 0.8213000      1.109000      ?             ?      
1 1 1 40 19 42 o 0.8298000      1.109000      ?             ?      
1 1 1 40 19 43 o 0.2675000      1.223000      ?             ?      
1 1 1 40 19 44 o 0.1228000      1.244000      ?             ?      
1 1 1 40 19 45 o -0.4521000     1.080000      ?             ?      
1 1 1 40 19 46 o 1.403000       1.068000      ?             ?      
1 1 1 40 19 47 o 0.4737000      1.026000      ?             ?      
1 1 1 40 19 48 o -3.437000      1.479000      ?             ?      
1 1 1 40 19 49 o -0.8870000     1.310000      ?             ?      
1 1 1 40 20 0  o 4.551000       1.430000      131.7115      0.0    
1 1 1 40 20 1  o 1.800000       1.082000      104.3306      -49.2  
1 1 1 40 20 2  o 1.731000       1.121000      56.35707      -119.0 
1 1 1 40 20 3  o 4.003000       1.110000      295.4986      32.2   
1 1 1 40 20 4  o 3.160000       0.9955000     66.85018      63.6   
1 1 1 40 20 5  o 1.263000       1.046000      68.25094      -4.7   
1 1 1 40 20 6  o -0.5036000     1.030000      80.46746      -12.0  
1 1 1 40 20 7  o 1.096000       1.044000      91.80648      51.5   
1 1 1 40 20 8  f 1.971000       1.065000      117.5512      -133.1 
1 1 1 40 20 9  o 1.226000       1.044000      67.46290      45.9   
1 1 1 40 20 10 o -1.211000      1.029000      59.90166      -9.6   
1 1 1 40 20 11 o 1.567000       1.040000      107.9543      59.5   
1 1 1 40 20 12 o -0.1768000     1.038000      30.49076      -150.2 
1 1 1 40 20 13 o 0.4051000      1.054000      69.60311      104.2  
1 1 1 40 20 14 o -0.4635000     1.097000      102.7945      27.3   
1 1 1 40 20 15 o 0.2307000E-01  1.525000      103.2908      -63.1  
1 1 1 40 20 16 o 1.328000       2.179000      ?             ?      
1 1 1 40 20 17 o -0.1019000E-01 1.501000      ?             ?      
1 1 1 40 20 18 o -0.1886000E-01 1.333000      ?             ?      
1 1 1 40 20 19 o -0.9331000     1.213000      ?             ?      
1 1 1 40 20 20 o -0.2749000     1.204000      ?             ?      
1 1 1 40 20 21 o 0.8691000      1.335000      ?             ?      
1 1 1 40 20 22 o 1.856000       1.253000      ?             ?      
1 1 1 40 20 23 o -0.5951000     1.204000      ?             ?      
1 1 1 40 20 24 o 0.9234000      1.082000      ?             ?      
1 1 1 40 20 25 o -0.5265000     1.064000      ?             ?      
1 1 1 40 20 26 o -1.385000      1.061000      ?             ?      
1 1 1 40 20 27 o 1.566000       1.079000      ?             ?      
1 1 1 40 20 28 o 2.596000       1.333000      ?             ?      
1 1 1 40 20 29 o 0.4424000      1.060000      ?             ?      
1 1 1 40 20 30 o -0.5767000     1.069000      ?             ?      
1 1 1 40 20 31 o -0.7194000     1.081000      ?             ?      
1 1 1 40 20 32 o 2.500000       1.204000      ?             ?      
1 1 1 40 20 33 o -0.8822000E-01 1.043000      ?             ?      
1 1 1 40 20 34 o -0.4679000     1.028000      ?             ?      
1 1 1 40 20 35 o -0.9181000     1.029000      ?             ?      
1 1 1 40 20 36 o 0.9899000      0.9642000     ?             ?      
1 1 1 40 20 37 o 1.541000       0.9820000     ?             ?      
1 1 1 40 20 38 o 0.1988000      0.9724000     ?             ?      
1 1 1 40 20 39 o 0.2957000      1.013000      ?             ?      
1 1 1 40 20 40 o 1.660000       1.022000      ?             ?      
1 1 1 40 20 41 o 0.6200000E-01  1.101000      ?             ?      
1 1 1 40 20 42 o 1.514000       1.189000      ?             ?      
1 1 1 40 20 43 o -2.241000      1.295000      ?             ?      
1 1 1 40 20 44 o -0.6888000     1.335000      ?             ?      
1 1 1 40 20 45 o -1.861000      1.069000      ?             ?      
1 1 1 40 20 46 o 0.1951000E-01  1.018000      ?             ?      
1 1 1 40 20 47 o 0.2074000      1.029000      ?             ?      
1 1 1 40 20 48 o 1.063000       1.081000      ?             ?      
1 1 1 40 21 0  o 1.426000       1.423000      117.1784      -0.0   
1 1 1 40 21 1  o 1.266000       0.9836000     67.31656      119.0  
1 1 1 40 21 2  o 0.2967000      0.9870000     83.76946      -163.7 
1 1 1 40 21 3  o 2.528000       0.9903000     70.08424      24.8   
1 1 1 40 21 4  o 3.338000       1.351000      237.7485      101.9  
1 1 1 40 21 5  o 0.9603000E-01  1.356000      166.3866      -165.4 
1 1 1 40 21 6  o 0.6094000      1.119000      37.11234      168.8  
1 1 1 40 21 7  o -0.3897000     1.051000      159.3379      -30.9  
1 1 1 40 21 8  o 2.233000       1.056000      146.4414      12.5   
1 1 1 40 21 9  o 0.7972000      1.046000      56.59478      -171.8 
1 1 1 40 21 10 o 0.7774000      1.040000      98.26710      149.0  
1 1 1 40 21 11 o -0.4901000     1.037000      103.8318      81.4   
1 1 1 40 21 12 o -1.280000      1.035000      20.06890      -33.2  
1 1 1 40 21 13 o 0.4890000E-01  1.069000      85.73528      -56.2  
1 1 1 40 21 14 o 0.9206000      1.129000      ?             ?      
1 1 1 40 21 15 o 2.344000       1.501000      ?             ?      
1 1 1 40 21 16 o -0.5437000     1.468000      ?             ?      
1 1 1 40 21 17 o -2.633000      1.472000      ?             ?      
1 1 1 40 21 18 o -1.012000      1.641000      ?             ?      
1 1 1 40 21 19 o 0.8562000      1.377000      ?             ?      
1 1 1 40 21 20 o -0.1435000     1.358000      ?             ?      
1 1 1 40 21 21 o 1.204000       1.338000      ?             ?      
1 1 1 40 21 22 o 2.340000       1.337000      ?             ?      
1 1 1 40 21 23 o 0.4900000      1.116000      ?             ?      
1 1 1 40 21 24 o -0.5253000     1.074000      ?             ?      
1 1 1 40 21 25 o 1.166000       1.070000      ?             ?      
1 1 1 40 21 26 o -1.011000      1.048000      ?             ?      
1 1 1 40 21 27 o -0.6353000     1.050000      ?             ?      
1 1 1 40 21 28 o 1.407000       1.294000      ?             ?      
1 1 1 40 21 29 o 2.283000       1.297000      ?             ?      
1 1 1 40 21 30 o -0.9123000     1.053000      ?             ?      
1 1 1 40 21 31 o -0.1614000     1.052000      ?             ?      
1 1 1 40 21 32 o -0.9621000     1.169000      ?             ?      
1 1 1 40 21 33 o 0.8211000      1.035000      ?             ?      
1 1 1 40 21 34 o -0.4812000     1.039000      ?             ?      
1 1 1 40 21 35 o 0.9102000      1.031000      ?             ?      
1 1 1 40 21 36 o 0.2664000      0.9707000     ?             ?      
1 1 1 40 21 37 o -0.6020000     0.9667000     ?             ?      
1 1 1 40 21 38 o -0.4418000     0.9697000     ?             ?      
1 1 1 40 21 39 o -0.9507000     1.010000      ?             ?      
1 1 1 40 21 40 o -0.3570000     1.030000      ?             ?      
1 1 1 40 21 41 o 1.057000       1.068000      ?             ?      
1 1 1 40 21 42 o -1.527000      1.305000      ?             ?      
1 1 1 40 21 43 o 0.2972000E-01  1.438000      ?             ?      
1 1 1 40 21 44 o -0.2831000     1.244000      ?             ?      
1 1 1 40 21 45 o 1.363000       1.068000      ?             ?      
1 1 1 40 21 46 o -0.5144000     1.011000      ?             ?      
1 1 1 40 21 47 o -1.049000      1.027000      ?             ?      
1 1 1 40 21 48 o -0.7505000     1.312000      ?             ?      
1 1 1 40 22 0  o 0.5905000      1.387000      112.9109      -0.0   
1 1 1 40 22 1  o 0.6750000      0.9831000     45.81132      -142.8 
1 1 1 40 22 2  o 0.7707000      0.9827000     53.80850      13.7   
1 1 1 40 22 3  o -0.5702000     0.9794000     29.85147      -53.9  
1 1 1 40 22 4  o 0.2512000      1.127000      36.60323      -176.8 
1 1 1 40 22 5  o -0.2305000     1.127000      25.41632      105.3  
1 1 1 40 22 6  o 1.411000       1.051000      91.14985      -23.8  
1 1 1 40 22 7  o -0.6913000     1.169000      52.71835      -16.1  
1 1 1 40 22 8  o 0.5245000      1.152000      22.87096      14.7   
1 1 1 40 22 9  o 2.447000       1.137000      139.5544      86.0   
1 1 1 40 22 10 o 1.164000       1.047000      32.52805      124.4  
1 1 1 40 22 11 o 0.5375000      1.038000      37.14010      177.7  
1 1 1 40 22 12 o -0.6679000     1.037000      ?             ?      
1 1 1 40 22 13 o 1.971000       1.129000      ?             ?      
1 1 1 40 22 14 o 0.3415000      1.125000      ?             ?      
1 1 1 40 22 15 o 0.8700000      1.479000      ?             ?      
1 1 1 40 22 16 o -3.593000      1.468000      ?             ?      
1 1 1 40 22 17 o 0.1535000      1.333000      ?             ?      
1 1 1 40 22 18 o 2.356000       1.246000      ?             ?      
1 1 1 40 22 19 o 0.5026000E-01  1.220000      ?             ?      
1 1 1 40 22 20 o 1.771000       1.346000      ?             ?      
1 1 1 40 22 21 o 0.7082000      1.313000      ?             ?      
1 1 1 40 22 22 o 1.043000       1.297000      ?             ?      
1 1 1 40 22 23 o -0.3891000     1.125000      ?             ?      
1 1 1 40 22 24 o -0.8888000     1.133000      ?             ?      
1 1 1 40 22 25 o 0.4549000      1.135000      ?             ?      
1 1 1 40 22 26 o -0.1515000     1.063000      ?             ?      
1 1 1 40 22 27 o 0.4564000      1.076000      ?             ?      
1 1 1 40 22 28 o 2.161000       1.282000      ?             ?      
1 1 1 40 22 29 o 0.6412000      1.269000      ?             ?      
1 1 1 40 22 30 o 2.858000       1.330000      ?             ?      
1 1 1 40 22 31 o -0.6208000E-01 1.045000      ?             ?      
1 1 1 40 22 32 o 0.4454000E-01  1.150000      ?             ?      
1 1 1 40 22 33 o -1.127000      1.025000      ?             ?      
1 1 1 40 22 34 o -0.7182000     1.024000      ?             ?      
1 1 1 40 22 35 o 0.2455000      1.034000      ?             ?      
1 1 1 40 22 36 o -0.4451000     0.9711000     ?             ?      
1 1 1 40 22 37 o 0.1730000      0.9662000     ?             ?      
1 1 1 40 22 38 o 0.8928000      0.9734000     ?             ?      
1 1 1 40 22 39 o -0.5426000     0.9827000     ?             ?      
1 1 1 40 22 40 o 0.4987000      1.064000      ?             ?      
1 1 1 40 22 41 o -0.5191000     1.095000      ?             ?      
1 1 1 40 22 42 o -1.382000      1.392000      ?             ?      
1 1 1 40 22 43 o -1.400000      1.467000      ?             ?      
1 1 1 40 22 44 o -2.334000      1.882000      ?             ?      
1 1 1 40 22 45 o 0.3646000      1.117000      ?             ?      
1 1 1 40 22 46 o 0.6146000      1.029000      ?             ?      
1 1 1 40 22 47 o -0.8368000     1.068000      ?             ?      
1 1 1 40 23 0  o -0.9797000     1.375000      21.44435      -0.0   
1 1 1 40 23 1  o -1.449000      0.9914000     94.56438      82.8   
1 1 1 40 23 2  o 1.580000       0.9882000     111.3352      -115.7 
1 1 1 40 23 3  o 2.713000       1.013000      133.1026      44.1   
1 1 1 40 23 4  o 2.565000       1.109000      135.1382      121.4  
1 1 1 40 23 5  o 1.289000       1.115000      81.12877      -107.0 
1 1 1 40 23 6  o 0.2752000      1.043000      115.9545      170.4  
1 1 1 40 23 7  o 0.3964000      1.071000      21.18583      -55.1  
1 1 1 40 23 8  o 1.975000       1.081000      135.5867      105.3  
1 1 1 40 23 9  o 0.4570000      1.173000      ?             ?      
1 1 1 40 23 10 o -1.087000      1.173000      ?             ?      
1 1 1 40 23 11 o 0.8795000      1.132000      ?             ?      
1 1 1 40 23 12 o 0.1919000      1.136000      ?             ?      
1 1 1 40 23 13 o 1.993000       1.128000      ?             ?      
1 1 1 40 23 14 o -1.202000      1.446000      ?             ?      
1 1 1 40 23 15 o 0.7515000      1.460000      ?             ?      
1 1 1 40 23 16 o -1.007000      1.279000      ?             ?      
1 1 1 40 23 17 o 1.860000       1.221000      ?             ?      
1 1 1 40 23 18 o 1.191000       1.244000      ?             ?      
1 1 1 40 23 19 o -0.8722000     1.237000      ?             ?      
1 1 1 40 23 20 f 0.2915000      1.316000      ?             ?      
1 1 1 40 23 21 o 1.938000       1.327000      ?             ?      
1 1 1 40 23 22 o -0.4683000E-01 1.161000      ?             ?      
1 1 1 40 23 23 o -0.9405000     1.116000      ?             ?      
1 1 1 40 23 24 o 0.5333000      1.237000      ?             ?      
1 1 1 40 23 25 o 0.7758000      1.212000      ?             ?      
1 1 1 40 23 26 o -0.6431000     1.083000      ?             ?      
1 1 1 40 23 27 o 0.7101000      1.109000      ?             ?      
1 1 1 40 23 28 o 0.1418000      1.335000      ?             ?      
1 1 1 40 23 29 o 1.288000       1.287000      ?             ?      
1 1 1 40 23 30 o 1.453000       1.295000      ?             ?      
1 1 1 40 23 31 o 0.8082000      1.478000      ?             ?      
1 1 1 40 23 32 o -1.742000      1.137000      ?             ?      
1 1 1 40 23 33 o 1.457000       1.037000      ?             ?      
1 1 1 40 23 34 o -0.9619000     1.038000      ?             ?      
1 1 1 40 23 35 o 0.2761000      1.041000      ?             ?      
1 1 1 40 23 36 o -0.8521000     1.088000      ?             ?      
1 1 1 40 23 37 o 0.7002000E-01  1.440000      ?             ?      
1 1 1 40 23 38 o -1.086000      0.9765000     ?             ?      
1 1 1 40 23 39 o -1.500000      0.9946000     ?             ?      
1 1 1 40 23 40 o 1.542000       1.107000      ?             ?      
1 1 1 40 23 41 o 1.060000       1.244000      ?             ?      
1 1 1 40 23 42 o -1.508000      1.464000      ?             ?      
1 1 1 40 23 43 o 0.1255000E-01  1.924000      ?             ?      
1 1 1 40 23 44 o -0.5709000     1.209000      ?             ?      
1 1 1 40 23 45 o 0.7152000      1.167000      ?             ?      
1 1 1 40 23 46 o -1.769000      1.065000      ?             ?      
1 1 1 40 23 47 o -0.4780000     2.987000      ?             ?      
1 1 1 40 24 0  o 2.505000       1.383000      12.82792      0.0    
1 1 1 40 24 1  o 0.4623000      1.056000      44.29883      -89.5  
1 1 1 40 24 2  o 0.2353000      0.9875000     36.38133      4.7    
1 1 1 40 24 3  o 0.4330000      1.024000      108.4411      -29.1  
1 1 1 40 24 4  o 1.485000       1.091000      72.86443      169.3  
1 1 1 40 24 5  o 4.022000       1.127000      ?             ?      
1 1 1 40 24 6  o -0.5456000     1.094000      ?             ?      
1 1 1 40 24 7  o -0.8609000     1.063000      ?             ?      
1 1 1 40 24 8  o 0.8522000      1.046000      ?             ?      
1 1 1 40 24 9  o 0.2677000      1.044000      ?             ?      
1 1 1 40 24 10 o 0.4878000      1.072000      ?             ?      
1 1 1 40 24 11 o -0.1718000E-01 1.164000      ?             ?      
1 1 1 40 24 12 o 0.3431000      1.279000      ?             ?      
1 1 1 40 24 13 o -0.3558000     1.265000      ?             ?      
1 1 1 40 24 14 f 0.2250000      1.261000      ?             ?      
1 1 1 40 24 15 o -0.3889000     1.274000      ?             ?      
1 1 1 40 24 16 o 0.1950000E-01  1.169000      ?             ?      
1 1 1 40 24 17 o 1.260000       1.217000      ?             ?      
1 1 1 40 24 18 o 0.8667000E-01  1.209000      ?             ?      
1 1 1 40 24 19 o 3.697000       1.415000      ?             ?      
1 1 1 40 24 20 o -1.556000      1.339000      ?             ?      
1 1 1 40 24 21 o -1.649000      1.300000      ?             ?      
1 1 1 40 24 22 o 0.4032000      1.120000      ?             ?      
1 1 1 40 24 23 o 0.2121000      1.120000      ?             ?      
1 1 1 40 24 24 o 0.9229000      1.111000      ?             ?      
1 1 1 40 24 25 o -0.6933000     1.101000      ?             ?      
1 1 1 40 24 26 o -0.1336000     1.093000      ?             ?      
1 1 1 40 24 27 o 2.532000       1.221000      ?             ?      
1 1 1 40 24 28 o 0.6806000      1.593000      ?             ?      
1 1 1 40 24 29 o -0.7688000     1.283000      ?             ?      
1 1 1 40 24 30 o 1.870000       1.343000      ?             ?      
1 1 1 40 24 31 o -0.6399000     1.578000      ?             ?      
1 1 1 40 24 32 o 1.694000       1.493000      ?             ?      
1 1 1 40 24 33 o 2.273000       1.042000      ?             ?      
1 1 1 40 24 34 o -0.2774000     1.032000      ?             ?      
1 1 1 40 24 35 o -0.4162000     1.042000      ?             ?      
1 1 1 40 24 36 o -0.9438000     0.9906000     ?             ?      
1 1 1 40 24 37 o 0.4191000      0.9924000     ?             ?      
1 1 1 40 24 38 o -0.4498000E-02 0.9984000     ?             ?      
1 1 1 40 24 39 o 0.2861000      1.014000      ?             ?      
1 1 1 40 24 40 o 0.3064000      1.048000      ?             ?      
1 1 1 40 24 41 o 1.076000       1.412000      ?             ?      
1 1 1 40 24 42 o 1.097000       1.474000      ?             ?      
1 1 1 40 24 43 o -0.3284000     1.140000      ?             ?      
1 1 1 40 24 44 o 0.8857000      1.168000      ?             ?      
1 1 1 40 24 45 o 0.7485000      1.177000      ?             ?      
1 1 1 40 24 46 o 0.1400000      1.630000      ?             ?      
1 1 1 40 25 0  o -0.2371000     1.403000      ?             ?      
1 1 1 40 25 1  o 0.5598000      0.9881000     ?             ?      
1 1 1 40 25 2  o -0.8531000     0.9804000     ?             ?      
1 1 1 40 25 3  o 0.9646000      1.121000      ?             ?      
1 1 1 40 25 4  o 2.054000       1.066000      ?             ?      
1 1 1 40 25 5  o 1.723000       1.088000      ?             ?      
1 1 1 40 25 6  f 0.9169000      1.086000      ?             ?      
1 1 1 40 25 7  o 1.275000       1.085000      ?             ?      
1 1 1 40 25 8  o 1.986000       1.034000      ?             ?      
1 1 1 40 25 9  o 1.557000       1.042000      ?             ?      
1 1 1 40 25 10 o 0.7890000      1.141000      ?             ?      
1 1 1 40 25 11 o -0.2359000     1.141000      ?             ?      
1 1 1 40 25 12 o 1.377000       1.301000      ?             ?      
1 1 1 40 25 13 o -1.462000      1.311000      ?             ?      
1 1 1 40 25 14 o 1.578000       1.323000      ?             ?      
1 1 1 40 25 15 o 0.2575000      1.165000      ?             ?      
1 1 1 40 25 16 o 1.888000       1.543000      ?             ?      
1 1 1 40 25 17 o 0.3951000      1.393000      ?             ?      
1 1 1 40 25 18 o 3.135000       1.221000      ?             ?      
1 1 1 40 25 19 o -0.4898000     1.334000      ?             ?      
1 1 1 40 25 20 o -1.112000      1.293000      ?             ?      
1 1 1 40 25 21 o -1.698000      1.279000      ?             ?      
1 1 1 40 25 22 o 0.5988000      1.111000      ?             ?      
1 1 1 40 25 23 o -0.3427000     1.112000      ?             ?      
1 1 1 40 25 24 o -0.6001000     1.101000      ?             ?      
1 1 1 40 25 25 o -0.9060000     1.107000      ?             ?      
1 1 1 40 25 26 o -0.6834000     1.076000      ?             ?      
1 1 1 40 25 27 o 0.2550000      1.077000      ?             ?      
1 1 1 40 25 28 o -0.4233000     1.271000      ?             ?      
1 1 1 40 25 29 o -0.4819000     1.298000      ?             ?      
1 1 1 40 25 30 o 0.1086000      1.629000      ?             ?      
1 1 1 40 25 31 o -0.2160000     2.142000      ?             ?      
1 1 1 40 25 32 o -0.1581000     1.524000      ?             ?      
1 1 1 40 25 33 o -0.9719000     1.347000      ?             ?      
1 1 1 40 25 34 o 0.4237000      1.187000      ?             ?      
1 1 1 40 25 35 o 0.4814000      1.051000      ?             ?      
1 1 1 40 25 36 o 0.2534000      1.059000      ?             ?      
1 1 1 40 25 37 o 0.6875000      1.008000      ?             ?      
1 1 1 40 25 38 o 0.6925000      1.001000      ?             ?      
1 1 1 40 25 39 o 0.5354000      1.065000      ?             ?      
1 1 1 40 25 40 o -0.2621000     1.145000      ?             ?      
1 1 1 40 25 41 o 0.5315000      1.406000      ?             ?      
1 1 1 40 25 42 o -1.398000      1.187000      ?             ?      
1 1 1 40 25 43 o -0.6096000     1.124000      ?             ?      
1 1 1 40 25 44 o -0.7096000     1.231000      ?             ?      
1 1 1 40 25 45 o -2.331000      1.179000      ?             ?      
1 1 1 40 26 0  o 0.9206000      1.402000      ?             ?      
1 1 1 40 26 1  o 1.037000       0.9795000     ?             ?      
1 1 1 40 26 2  o -0.1548000     0.9774000     ?             ?      
1 1 1 40 26 3  o 0.8538000      1.096000      ?             ?      
1 1 1 40 26 4  o -0.4184000     1.055000      ?             ?      
1 1 1 40 26 5  o -0.7373000E-01 1.069000      ?             ?      
1 1 1 40 26 6  o 0.9028000      1.077000      ?             ?      
1 1 1 40 26 7  o -0.9380000     1.069000      ?             ?      
1 1 1 40 26 8  o -0.5771000     1.077000      ?             ?      
1 1 1 40 26 9  o 0.7252000      1.046000      ?             ?      
1 1 1 40 26 10 o -0.9283000     1.108000      ?             ?      
1 1 1 40 26 11 o 0.5091000      1.279000      ?             ?      
1 1 1 40 26 12 o -0.1277000     1.297000      ?             ?      
1 1 1 40 26 13 o 1.526000       1.337000      ?             ?      
1 1 1 40 26 14 o -0.2038000     1.179000      ?             ?      
1 1 1 40 26 15 o 0.1780000      1.078000      ?             ?      
1 1 1 40 26 16 o 0.1800000      1.209000      ?             ?      
1 1 1 40 26 17 o -1.329000      1.207000      ?             ?      
1 1 1 40 26 18 o 0.2599000      1.622000      ?             ?      
1 1 1 40 26 19 o 3.708000       2.199000      ?             ?      
1 1 1 40 26 20 o -0.7135000     1.570000      ?             ?      
1 1 1 40 26 21 o -1.233000      1.121000      ?             ?      
1 1 1 40 26 22 o -0.6574000     1.100000      ?             ?      
1 1 1 40 26 23 o 0.2347000      1.103000      ?             ?      
1 1 1 40 26 24 o -0.8095000     1.114000      ?             ?      
1 1 1 40 26 25 o 0.9301000E-01  1.098000      ?             ?      
1 1 1 40 26 26 o -0.1446000     1.091000      ?             ?      
1 1 1 40 26 27 o 0.4183000      1.086000      ?             ?      
1 1 1 40 26 28 o -0.5681000     1.278000      ?             ?      
1 1 1 40 26 29 o -0.6421000     1.280000      ?             ?      
1 1 1 40 26 30 o -0.8198000     1.433000      ?             ?      
1 1 1 40 26 31 o -0.2951000     1.461000      ?             ?      
1 1 1 40 26 32 o 1.001000       1.505000      ?             ?      
1 1 1 40 26 33 o -0.7884000E-01 1.384000      ?             ?      
1 1 1 40 26 34 o 0.7052000      1.330000      ?             ?      
1 1 1 40 26 35 o 0.3647000E-01  1.058000      ?             ?      
1 1 1 40 26 36 o 0.1128000      1.223000      ?             ?      
1 1 1 40 26 37 o -1.545000      1.095000      ?             ?      
1 1 1 40 26 38 o -0.8790000     1.053000      ?             ?      
1 1 1 40 26 39 o -0.4289000     1.067000      ?             ?      
1 1 1 40 26 40 o 0.5418000      1.249000      ?             ?      
1 1 1 40 26 41 o 1.644000       1.253000      ?             ?      
1 1 1 40 26 42 o -0.7417000     1.125000      ?             ?      
1 1 1 40 26 43 o -0.6301000     1.084000      ?             ?      
1 1 1 40 26 44 o 0.6460000      1.099000      ?             ?      
1 1 1 40 27 0  o 1.213000       1.389000      ?             ?      
1 1 1 40 27 1  o 0.4599000      0.9608000     ?             ?      
1 1 1 40 27 2  o -0.4352000     0.9692000     ?             ?      
1 1 1 40 27 3  o -0.2596000     1.047000      ?             ?      
1 1 1 40 27 4  o -0.2029000     1.041000      ?             ?      
1 1 1 40 27 5  o 1.226000       1.066000      ?             ?      
1 1 1 40 27 6  o -0.2820000     1.065000      ?             ?      
1 1 1 40 27 7  o -1.547000      1.057000      ?             ?      
1 1 1 40 27 8  o -0.4423000     1.086000      ?             ?      
1 1 1 40 27 9  o -0.7835000     1.203000      ?             ?      
1 1 1 40 27 10 o 0.1606000      1.259000      ?             ?      
1 1 1 40 27 11 o 0.3424000      1.264000      ?             ?      
1 1 1 40 27 12 o 0.3742000E-01  1.284000      ?             ?      
1 1 1 40 27 13 o 0.3770000      1.159000      ?             ?      
1 1 1 40 27 14 o -0.3464000     1.053000      ?             ?      
1 1 1 40 27 15 o 0.6022000      1.112000      ?             ?      
1 1 1 40 27 16 o 0.3786000      1.185000      ?             ?      
1 1 1 40 27 17 o -0.3174000     1.189000      ?             ?      
1 1 1 40 27 18 o -1.777000      1.607000      ?             ?      
1 1 1 40 27 19 o 1.204000       1.342000      ?             ?      
1 1 1 40 27 20 o 1.546000       1.334000      ?             ?      
1 1 1 40 27 21 o 0.5376000      1.236000      ?             ?      
1 1 1 40 27 22 o -0.1140000E-01 1.419000      ?             ?      
1 1 1 40 27 23 o 1.788000       1.297000      ?             ?      
1 1 1 40 27 24 o -1.473000      1.095000      ?             ?      
1 1 1 40 27 25 o -1.556000      1.092000      ?             ?      
1 1 1 40 27 26 o -0.5649000     1.096000      ?             ?      
1 1 1 40 27 27 o -1.264000      1.093000      ?             ?      
1 1 1 40 27 28 o -2.758000      1.264000      ?             ?      
1 1 1 40 27 29 o 2.050000       1.255000      ?             ?      
1 1 1 40 27 30 o 2.706000       1.469000      ?             ?      
1 1 1 40 27 31 o -0.4767000     1.464000      ?             ?      
1 1 1 40 27 32 f -0.4422000     1.488000      ?             ?      
1 1 1 40 27 33 o 1.046000       1.249000      ?             ?      
1 1 1 40 27 34 o -0.2948000     1.223000      ?             ?      
1 1 1 40 27 35 o -1.213000      1.226000      ?             ?      
1 1 1 40 27 36 o -0.9485000     1.112000      ?             ?      
1 1 1 40 27 37 o 2.033000       1.061000      ?             ?      
1 1 1 40 27 38 o -1.193000      1.066000      ?             ?      
1 1 1 40 27 39 o 0.1986000      1.161000      ?             ?      
1 1 1 40 27 40 o -0.7024000     1.215000      ?             ?      
1 1 1 40 27 41 o 0.6535000      1.191000      ?             ?      
1 1 1 40 27 42 o 1.130000       1.126000      ?             ?      
1 1 1 40 27 43 o -0.9527000     1.213000      ?             ?      
1 1 1 40 27 44 o -5.050000      3.992000      ?             ?      
1 1 1 40 28 0  o 0.6360000      1.530000      ?             ?      
1 1 1 40 28 1  o -0.9554000E-01 0.9528000     ?             ?      
1 1 1 40 28 2  o -0.2489000     0.9682000     ?             ?      
1 1 1 40 28 3  o -0.2498000     1.036000      ?             ?      
1 1 1 40 28 4  o -0.4217000     1.040000      ?             ?      
1 1 1 40 28 5  o 0.5135000      1.061000      ?             ?      
1 1 1 40 28 6  o 0.8330000      1.072000      ?             ?      
1 1 1 40 28 7  o 0.6712000      1.075000      ?             ?      
1 1 1 40 28 8  o -0.1604000     1.182000      ?             ?      
1 1 1 40 28 9  o -1.736000      1.409000      ?             ?      
1 1 1 40 28 10 o 0.8843000      1.430000      ?             ?      
1 1 1 40 28 11 o -0.1004000     1.249000      ?             ?      
1 1 1 40 28 12 o -0.5276000     1.152000      ?             ?      
1 1 1 40 28 13 o 1.230000       1.145000      ?             ?      
1 1 1 40 28 14 o 0.1285000      1.052000      ?             ?      
1 1 1 40 28 15 o 0.4078000      1.103000      ?             ?      
1 1 1 40 28 16 o 0.1078000      1.184000      ?             ?      
1 1 1 40 28 17 o 0.6953000E-01  1.365000      ?             ?      
1 1 1 40 28 18 o -2.081000      1.315000      ?             ?      
1 1 1 40 28 19 o 0.4615000E-01  1.322000      ?             ?      
1 1 1 40 28 20 o 1.048000       1.167000      ?             ?      
1 1 1 40 28 21 o -0.2955000     1.133000      ?             ?      
1 1 1 40 28 22 o 1.179000       1.141000      ?             ?      
1 1 1 40 28 23 o -1.167000      1.134000      ?             ?      
1 1 1 40 28 24 o 0.1026000      1.242000      ?             ?      
1 1 1 40 28 25 o 0.3108000      1.402000      ?             ?      
1 1 1 40 28 26 o 0.1446000      1.241000      ?             ?      
1 1 1 40 28 27 o 0.2723000      1.117000      ?             ?      
1 1 1 40 28 28 o -1.072000      1.276000      ?             ?      
1 1 1 40 28 29 o -0.2730000     1.269000      ?             ?      
1 1 1 40 28 30 o -0.1647000     1.438000      ?             ?      
1 1 1 40 28 31 o 0.8971000E-01  1.472000      ?             ?      
1 1 1 40 28 32 o -3.011000      1.484000      ?             ?      
1 1 1 40 28 33 o 1.651000       1.255000      ?             ?      
1 1 1 40 28 34 o 0.1534000      1.234000      ?             ?      
1 1 1 40 28 35 o -0.7065000     1.226000      ?             ?      
1 1 1 40 28 36 o -0.7773000E-01 1.219000      ?             ?      
1 1 1 40 28 37 o -1.254000      1.056000      ?             ?      
1 1 1 40 28 38 o -0.5790000     1.073000      ?             ?      
1 1 1 40 28 39 o -0.3338000     1.244000      ?             ?      
1 1 1 40 28 40 o 0.4853000      1.249000      ?             ?      
1 1 1 40 28 41 o -1.296000      1.297000      ?             ?      
1 1 1 40 28 42 o -0.9660000     1.439000      ?             ?      
1 1 1 40 28 43 o -0.8831000     1.503000      ?             ?      
1 1 1 40 29 0  o 1.573000       1.352000      ?             ?      
1 1 1 40 29 1  o 1.499000       0.9443000     ?             ?      
1 1 1 40 29 2  o -2.751000      1.068000      ?             ?      
1 1 1 40 29 3  o 0.6052000E-01  1.039000      ?             ?      
1 1 1 40 29 4  o -0.3242000     1.036000      ?             ?      
1 1 1 40 29 5  o 0.1634000E-02  1.054000      ?             ?      
1 1 1 40 29 6  o 1.982000       1.069000      ?             ?      
1 1 1 40 29 7  o -0.7262000E-01 1.174000      ?             ?      
1 1 1 40 29 8  o -0.7642000     1.399000      ?             ?      
1 1 1 40 29 9  o -0.9679000     1.415000      ?             ?      
1 1 1 40 29 10 o -0.1913000     1.403000      ?             ?      
1 1 1 40 29 11 o -1.323000      1.253000      ?             ?      
1 1 1 40 29 12 o 0.4316000      1.133000      ?             ?      
1 1 1 40 29 13 o 0.1576000      1.038000      ?             ?      
1 1 1 40 29 14 o -0.4892000     1.086000      ?             ?      
1 1 1 40 29 15 o -0.6337000     1.068000      ?             ?      
1 1 1 40 29 16 o -0.8238000E-01 1.168000      ?             ?      
1 1 1 40 29 17 o -1.179000      1.308000      ?             ?      
1 1 1 40 29 18 o -1.503000      1.300000      ?             ?      
1 1 1 40 29 19 o -1.819000      1.298000      ?             ?      
1 1 1 40 29 20 o -0.1703000     1.132000      ?             ?      
1 1 1 40 29 21 o -0.1291000     1.150000      ?             ?      
1 1 1 40 29 22 o -1.925000      1.135000      ?             ?      
1 1 1 40 29 23 o -1.028000      1.113000      ?             ?      
1 1 1 40 29 24 o 0.2639000E-01  1.131000      ?             ?      
1 1 1 40 29 25 o 0.2328000      1.135000      ?             ?      
1 1 1 40 29 26 o 1.347000       1.121000      ?             ?      
1 1 1 40 29 27 o -1.283000      1.206000      ?             ?      
1 1 1 40 29 28 o 2.391000       1.941000      ?             ?      
1 1 1 40 29 29 o -0.3296000     1.506000      ?             ?      
1 1 1 40 29 30 o -0.4668000     1.457000      ?             ?      
1 1 1 40 29 31 o 1.060000       1.471000      ?             ?      
1 1 1 40 29 32 o -1.385000      1.495000      ?             ?      
1 1 1 40 29 33 o 0.8186000E-01  1.273000      ?             ?      
1 1 1 40 29 34 o 1.723000       1.239000      ?             ?      
1 1 1 40 29 35 o 0.1269000      1.248000      ?             ?      
1 1 1 40 29 36 o 0.7675000      1.183000      ?             ?      
1 1 1 40 29 37 o 0.3037000      1.309000      ?             ?      
1 1 1 40 29 38 o -2.286000      1.245000      ?             ?      
1 1 1 40 29 39 o -0.5349000     1.358000      ?             ?      
1 1 1 40 29 40 o -0.9619000     1.356000      ?             ?      
1 1 1 40 29 41 o -0.7537000     1.147000      ?             ?      
1 1 1 40 29 42 o 0.7132000      1.348000      ?             ?      
1 1 1 40 30 0  o 1.190000       1.292000      ?             ?      
1 1 1 40 30 1  o -0.1645000     0.9170000     ?             ?      
1 1 1 40 30 2  o -0.7347000     1.057000      ?             ?      
1 1 1 40 30 3  o -0.7153000     1.026000      ?             ?      
1 1 1 40 30 4  o -0.7140000     1.029000      ?             ?      
1 1 1 40 30 5  o -1.392000      1.044000      ?             ?      
1 1 1 40 30 6  o -2.174000      1.177000      ?             ?      
1 1 1 40 30 7  o -0.8418000     1.173000      ?             ?      
1 1 1 40 30 8  o 0.4584000      1.409000      ?             ?      
1 1 1 40 30 9  o -0.5296000     1.387000      ?             ?      
1 1 1 40 30 10 o -0.5456000     1.407000      ?             ?      
1 1 1 40 30 11 o 0.3257000E-01  1.248000      ?             ?      
1 1 1 40 30 12 o -0.1185000     1.026000      ?             ?      
1 1 1 40 30 13 o -0.6000000     1.028000      ?             ?      
1 1 1 40 30 14 o -0.9247000     1.058000      ?             ?      
1 1 1 40 30 15 o -0.7676000     1.067000      ?             ?      
1 1 1 40 30 16 o -1.606000      1.323000      ?             ?      
1 1 1 40 30 17 o -0.3601000E-01 1.297000      ?             ?      
1 1 1 40 30 18 o 0.8932000      1.307000      ?             ?      
1 1 1 40 30 19 o -1.006000      1.144000      ?             ?      
1 1 1 40 30 20 o 1.681000       1.150000      ?             ?      
1 1 1 40 30 21 o -0.6738000     1.163000      ?             ?      
1 1 1 40 30 22 o -0.7153000     1.142000      ?             ?      
1 1 1 40 30 23 o -1.062000      1.136000      ?             ?      
1 1 1 40 30 24 o 0.9615000      1.120000      ?             ?      
1 1 1 40 30 25 o -0.2946000     1.129000      ?             ?      
1 1 1 40 30 26 o -0.4515000E-01 1.104000      ?             ?      
1 1 1 40 30 27 o -0.8469000     1.125000      ?             ?      
1 1 1 40 30 28 o 0.3948000      1.293000      ?             ?      
1 1 1 40 30 29 o 1.265000       1.461000      ?             ?      
1 1 1 40 30 30 o 2.540000       1.483000      ?             ?      
1 1 1 40 30 31 o -1.645000      1.902000      ?             ?      
1 1 1 40 30 32 o 1.058000       1.923000      ?             ?      
1 1 1 40 30 33 o 0.2073000      1.296000      ?             ?      
1 1 1 40 30 34 o -0.3564000     1.259000      ?             ?      
1 1 1 40 30 35 o -0.7765000     1.234000      ?             ?      
1 1 1 40 30 36 o -1.091000      1.312000      ?             ?      
1 1 1 40 30 37 o 2.163000       1.350000      ?             ?      
1 1 1 40 30 38 o -0.2325000     1.738000      ?             ?      
1 1 1 40 30 39 o -2.161000      1.377000      ?             ?      
1 1 1 40 30 40 o -0.7481000     1.083000      ?             ?      
1 1 1 40 30 41 o -1.486000      1.297000      ?             ?      
1 1 1 40 31 0  o 2.411000       1.262000      ?             ?      
1 1 1 40 31 1  o -0.5461000E-01 0.9040000     ?             ?      
1 1 1 40 31 2  o 0.4235000      1.027000      ?             ?      
1 1 1 40 31 3  o 0.1523000      1.000000      ?             ?      
1 1 1 40 31 4  o 0.5153000      1.019000      ?             ?      
1 1 1 40 31 5  o 1.348000       1.148000      ?             ?      
1 1 1 40 31 6  o -0.7952000     1.160000      ?             ?      
1 1 1 40 31 7  o -1.743000      1.413000      ?             ?      
1 1 1 40 31 8  o 0.4237000      1.409000      ?             ?      
1 1 1 40 31 9  o -0.6149000     1.421000      ?             ?      
1 1 1 40 31 10 o 0.2190000E-01  1.232000      ?             ?      
1 1 1 40 31 11 o -2.071000      1.087000      ?             ?      
1 1 1 40 31 12 o 0.7012000      1.099000      ?             ?      
1 1 1 40 31 13 o 0.7992000      1.063000      ?             ?      
1 1 1 40 31 14 o -0.4385000     1.065000      ?             ?      
1 1 1 40 31 15 o 0.9875000E-01  1.072000      ?             ?      
1 1 1 40 31 16 o 0.2646000      1.198000      ?             ?      
1 1 1 40 31 17 o -1.738000      1.305000      ?             ?      
1 1 1 40 31 18 o -0.2952000     1.317000      ?             ?      
1 1 1 40 31 19 o 1.383000       1.149000      ?             ?      
1 1 1 40 31 20 o -1.079000      1.150000      ?             ?      
1 1 1 40 31 21 o 1.121000       1.135000      ?             ?      
1 1 1 40 31 22 o 1.228000       1.149000      ?             ?      
1 1 1 40 31 23 o 0.9514000      1.158000      ?             ?      
1 1 1 40 31 24 o -1.638000      1.140000      ?             ?      
1 1 1 40 31 25 o 0.2754000      1.136000      ?             ?      
1 1 1 40 31 26 o -0.2749000     1.135000      ?             ?      
1 1 1 40 31 27 o 0.8930000      1.106000      ?             ?      
1 1 1 40 31 28 o 0.9659000      1.274000      ?             ?      
1 1 1 40 31 29 o -1.482000      1.451000      ?             ?      
1 1 1 40 31 30 o 1.325000       1.481000      ?             ?      
1 1 1 40 31 31 o 0.4865000      1.522000      ?             ?      
1 1 1 40 31 32 o -3.248000      1.500000      ?             ?      
1 1 1 40 31 33 o -0.1932000E-02 1.315000      ?             ?      
1 1 1 40 31 34 o -2.434000      1.400000      ?             ?      
1 1 1 40 31 35 o -0.1446000     1.456000      ?             ?      
1 1 1 40 31 36 o 0.3112000      1.411000      ?             ?      
1 1 1 40 31 37 o -2.955000      1.386000      ?             ?      
1 1 1 40 31 38 o -0.3194000     1.246000      ?             ?      
1 1 1 40 31 39 o -0.2837000     1.334000      ?             ?      
1 1 1 40 31 40 o 0.8278000E-01  1.405000      ?             ?      
1 1 1 40 32 0  o 0.2335000      1.250000      ?             ?      
1 1 1 40 32 1  o -0.5617000     0.9095000     ?             ?      
1 1 1 40 32 2  o 1.330000       0.9859000     ?             ?      
1 1 1 40 32 3  o 0.2484000      0.9881000     ?             ?      
1 1 1 40 32 4  o 0.8877000      1.119000      ?             ?      
1 1 1 40 32 5  o -1.388000      1.112000      ?             ?      
1 1 1 40 32 6  o 0.4807000      1.405000      ?             ?      
1 1 1 40 32 7  o 0.4132000      1.417000      ?             ?      
1 1 1 40 32 8  o -0.9963000     1.399000      ?             ?      
1 1 1 40 32 9  o 0.4486000      1.241000      ?             ?      
1 1 1 40 32 10 o -1.084000      1.106000      ?             ?      
1 1 1 40 32 11 o 0.6470000      1.104000      ?             ?      
1 1 1 40 32 12 o 0.3726000      1.085000      ?             ?      
1 1 1 40 32 13 o 0.2625000E-01  1.126000      ?             ?      
1 1 1 40 32 14 o -0.4521000     1.073000      ?             ?      
1 1 1 40 32 15 o -0.6269000E-01 1.103000      ?             ?      
1 1 1 40 32 16 o -2.183000      1.167000      ?             ?      
1 1 1 40 32 17 o -0.6071000     1.310000      ?             ?      
1 1 1 40 32 18 o -1.442000      1.142000      ?             ?      
1 1 1 40 32 19 o 0.4817000      1.172000      ?             ?      
1 1 1 40 32 20 o -0.3725000     1.162000      ?             ?      
1 1 1 40 32 21 o 1.114000       1.155000      ?             ?      
1 1 1 40 32 22 o 0.7344000      1.154000      ?             ?      
1 1 1 40 32 23 o 0.7208000      1.158000      ?             ?      
1 1 1 40 32 24 o -2.156000      1.151000      ?             ?      
1 1 1 40 32 25 o -0.7313000     1.154000      ?             ?      
1 1 1 40 32 26 o -1.035000      1.187000      ?             ?      
1 1 1 40 32 27 o -0.6183000     1.261000      ?             ?      
1 1 1 40 32 28 o -1.088000      1.278000      ?             ?      
1 1 1 40 32 29 o -0.7234000E-02 1.483000      ?             ?      
1 1 1 40 32 30 o 0.1380000      1.485000      ?             ?      
1 1 1 40 32 31 o -1.815000      1.497000      ?             ?      
1 1 1 40 32 32 o -0.6652000     1.524000      ?             ?      
1 1 1 40 32 33 o 0.9683000      1.468000      ?             ?      
1 1 1 40 32 34 o 0.2824000      1.421000      ?             ?      
1 1 1 40 32 35 f -3.161000      1.477000      ?             ?      
1 1 1 40 32 36 o -1.921000      1.435000      ?             ?      
1 1 1 40 32 37 o -0.6613000     1.491000      ?             ?      
1 1 1 40 32 38 f 0.5791000      1.416000      ?             ?      
1 1 1 40 32 39 o -0.8922000     2.240000      ?             ?      
1 1 1 40 33 0  o 0.2665000E-02  1.249000      ?             ?      
1 1 1 40 33 1  o -0.7836000     0.9657000     ?             ?      
1 1 1 40 33 2  o 0.4570000      0.9776000     ?             ?      
1 1 1 40 33 3  o 0.8042000      1.080000      ?             ?      
1 1 1 40 33 4  o -0.5609000     1.089000      ?             ?      
1 1 1 40 33 5  o -0.1805000     1.356000      ?             ?      
1 1 1 40 33 6  o 0.9445000      1.385000      ?             ?      
1 1 1 40 33 7  o 1.328000       1.438000      ?             ?      
1 1 1 40 33 8  o -3.457000      1.246000      ?             ?      
1 1 1 40 33 9  o -0.1959000     1.105000      ?             ?      
1 1 1 40 33 10 o 0.6466000      1.095000      ?             ?      
1 1 1 40 33 11 o 0.5682000      1.107000      ?             ?      
1 1 1 40 33 12 o -1.082000      1.086000      ?             ?      
1 1 1 40 33 13 o 0.2642000      1.135000      ?             ?      
1 1 1 40 33 14 o 0.5551000      1.160000      ?             ?      
1 1 1 40 33 15 o -0.4258000     1.208000      ?             ?      
1 1 1 40 33 16 o -1.026000      1.179000      ?             ?      
1 1 1 40 33 17 o 3.205000       1.321000      ?             ?      
1 1 1 40 33 18 o -1.634000      1.159000      ?             ?      
1 1 1 40 33 19 o -0.1426000     1.148000      ?             ?      
1 1 1 40 33 20 o -0.4616000     1.151000      ?             ?      
1 1 1 40 33 21 o 0.5245000      1.160000      ?             ?      
1 1 1 40 33 22 o -0.1885000     1.158000      ?             ?      
1 1 1 40 33 23 o 1.815000       1.164000      ?             ?      
1 1 1 40 33 24 o -0.1574000     1.189000      ?             ?      
1 1 1 40 33 25 o 0.1298000      1.172000      ?             ?      
1 1 1 40 33 26 o 0.3923000      1.326000      ?             ?      
1 1 1 40 33 27 o 1.428000       1.325000      ?             ?      
1 1 1 40 33 28 o -0.4592000     1.331000      ?             ?      
1 1 1 40 33 29 o -1.542000      1.470000      ?             ?      
1 1 1 40 33 30 o 0.5816000      1.492000      ?             ?      
1 1 1 40 33 31 o 0.9396000      1.489000      ?             ?      
1 1 1 40 33 32 o -3.987000      1.521000      ?             ?      
1 1 1 40 33 33 o -1.821000      1.512000      ?             ?      
1 1 1 40 33 34 o -2.296000      1.461000      ?             ?      
1 1 1 40 33 35 o -0.5769000     1.492000      ?             ?      
1 1 1 40 33 36 o -3.027000      1.549000      ?             ?      
1 1 1 40 33 37 o -0.8613000E-01 1.364000      ?             ?      
1 1 1 40 33 38 o -2.008000      2.164000      ?             ?      
1 1 1 40 34 0  o 1.463000       1.258000      ?             ?      
1 1 1 40 34 1  o 0.4813000      0.9793000     ?             ?      
1 1 1 40 34 2  o -0.1710000     1.077000      ?             ?      
1 1 1 40 34 3  o 1.860000       1.079000      ?             ?      
1 1 1 40 34 4  o -0.1082000     1.327000      ?             ?      
1 1 1 40 34 5  o 1.152000       1.369000      ?             ?      
1 1 1 40 34 6  o -0.5335000E-01 1.405000      ?             ?      
1 1 1 40 34 7  o 0.7751000      1.246000      ?             ?      
1 1 1 40 34 8  o -1.800000      1.100000      ?             ?      
1 1 1 40 34 9  o -0.4586000     1.097000      ?             ?      
1 1 1 40 34 10 o 0.3922000E-01  1.105000      ?             ?      
1 1 1 40 34 11 o -1.823000      1.076000      ?             ?      
1 1 1 40 34 12 o -0.5058000     1.118000      ?             ?      
1 1 1 40 34 13 o -0.9863000     1.139000      ?             ?      
1 1 1 40 34 14 o -0.6539000     1.161000      ?             ?      
1 1 1 40 34 15 o 0.8424000E-01  1.320000      ?             ?      
1 1 1 40 34 16 o 0.4540000      1.173000      ?             ?      
1 1 1 40 34 17 o -0.6672000     1.329000      ?             ?      
1 1 1 40 34 18 o -0.1014000     1.155000      ?             ?      
1 1 1 40 34 19 o -0.8900000     1.156000      ?             ?      
1 1 1 40 34 20 o 0.6388000E-01  1.150000      ?             ?      
1 1 1 40 34 21 o -0.8023000     1.153000      ?             ?      
1 1 1 40 34 22 o -0.3676000E-02 1.158000      ?             ?      
1 1 1 40 34 23 o 0.1958000      1.157000      ?             ?      
1 1 1 40 34 24 o -1.468000      1.156000      ?             ?      
1 1 1 40 34 25 o -0.4091000     1.211000      ?             ?      
1 1 1 40 34 26 o -1.408000      1.314000      ?             ?      
1 1 1 40 34 27 o -1.357000      1.324000      ?             ?      
1 1 1 40 34 28 o 1.131000       1.393000      ?             ?      
1 1 1 40 34 29 o -0.9613000     1.597000      ?             ?      
1 1 1 40 34 30 o -0.1819000     1.534000      ?             ?      
1 1 1 40 34 31 o 1.485000       1.477000      ?             ?      
1 1 1 40 34 32 o -0.2178000     1.493000      ?             ?      
1 1 1 40 34 33 o -1.409000      3.685000      ?             ?      
1 1 1 40 34 34 o -0.7197000     1.526000      ?             ?      
1 1 1 40 34 35 o -0.4615000     1.411000      ?             ?      
1 1 1 40 34 36 o 2.945000       1.566000      ?             ?      
1 1 1 40 34 37 o 3.970000       4.264000      ?             ?      
1 1 1 40 35 0  o -1.310000      1.247000      ?             ?      
1 1 1 40 35 1  f -2.225000      1.154000      ?             ?      
1 1 1 40 35 2  o -0.2803000     1.306000      ?             ?      
1 1 1 40 35 3  o -1.260000      1.326000      ?             ?      
1 1 1 40 35 4  o -1.343000      1.342000      ?             ?      
1 1 1 40 35 5  o -0.8804000     1.365000      ?             ?      
1 1 1 40 35 6  o 0.6557000      1.230000      ?             ?      
1 1 1 40 35 7  o -2.205000      1.239000      ?             ?      
1 1 1 40 35 8  o 0.6970000      1.086000      ?             ?      
1 1 1 40 35 9  o -0.5898000     1.087000      ?             ?      
1 1 1 40 35 10 o 0.4109000      1.067000      ?             ?      
1 1 1 40 35 11 o -1.177000      1.075000      ?             ?      
1 1 1 40 35 12 o -0.3455000E-02 1.137000      ?             ?      
1 1 1 40 35 13 o -0.9606000     1.157000      ?             ?      
1 1 1 40 35 14 o -0.1263000     1.333000      ?             ?      
1 1 1 40 35 15 o 1.194000       1.303000      ?             ?      
1 1 1 40 35 16 o -0.3259000     1.327000      ?             ?      
1 1 1 40 35 17 o 0.1676000E-01  1.158000      ?             ?      
1 1 1 40 35 18 o 0.7382000      1.157000      ?             ?      
1 1 1 40 35 19 o 1.770000       1.159000      ?             ?      
1 1 1 40 35 20 o 0.8449000      1.161000      ?             ?      
1 1 1 40 35 21 o 0.8829000      1.171000      ?             ?      
1 1 1 40 35 22 o -0.6673000     1.163000      ?             ?      
1 1 1 40 35 23 o -0.1424000     1.162000      ?             ?      
1 1 1 40 35 24 o -0.6157000     1.164000      ?             ?      
1 1 1 40 35 25 o -1.015000      1.186000      ?             ?      
1 1 1 40 35 26 o 0.9890000E-01  1.348000      ?             ?      
1 1 1 40 35 27 o -0.1255000     1.392000      ?             ?      
1 1 1 40 35 28 o -0.9445000     1.356000      ?             ?      
1 1 1 40 35 29 o 0.1755000E-01  1.559000      ?             ?      
1 1 1 40 35 30 o -1.014000      1.563000      ?             ?      
1 1 1 40 35 31 o -0.5885000     1.567000      ?             ?      
1 1 1 40 35 32 o 0.1215000      1.563000      ?             ?      
1 1 1 40 35 33 o -3.409000      2.132000      ?             ?      
1 1 1 40 35 34 o 0.3055000      1.636000      ?             ?      
1 1 1 40 35 35 o -1.058000      1.808000      ?             ?      
1 1 1 40 36 0  o -1.300000      1.365000      ?             ?      
1 1 1 40 36 1  o -2.715000      1.337000      ?             ?      
1 1 1 40 36 2  o 1.119000       1.330000      ?             ?      
1 1 1 40 36 3  o -2.690000      1.306000      ?             ?      
1 1 1 40 36 4  o -1.399000      1.336000      ?             ?      
1 1 1 40 36 5  o -0.5573000E-01 1.390000      ?             ?      
1 1 1 40 36 6  o -1.487000      1.212000      ?             ?      
1 1 1 40 36 7  o -1.448000      1.060000      ?             ?      
1 1 1 40 36 8  o 1.956000       1.079000      ?             ?      
1 1 1 40 36 9  o -0.5304000     1.061000      ?             ?      
1 1 1 40 36 10 o 0.8554000      1.076000      ?             ?      
1 1 1 40 36 11 o 0.1005000      1.116000      ?             ?      
1 1 1 40 36 12 o 0.1347000      1.166000      ?             ?      
1 1 1 40 36 13 o -0.4992000     1.174000      ?             ?      
1 1 1 40 36 14 o -1.594000      1.304000      ?             ?      
1 1 1 40 36 15 o -1.241000      1.306000      ?             ?      
1 1 1 40 36 16 o 1.682000       1.316000      ?             ?      
1 1 1 40 36 17 o 1.608000       1.294000      ?             ?      
1 1 1 40 36 18 o -1.133000      1.163000      ?             ?      
1 1 1 40 36 19 o 0.4319000      1.168000      ?             ?      
1 1 1 40 36 20 o 0.3982000      1.172000      ?             ?      
1 1 1 40 36 21 o 0.3682000      1.181000      ?             ?      
1 1 1 40 36 22 o -1.834000      1.170000      ?             ?      
1 1 1 40 36 23 o 1.104000       1.188000      ?             ?      
1 1 1 40 36 24 o -0.2863000     1.217000      ?             ?      
1 1 1 40 36 25 o -0.2955000     1.338000      ?             ?      
1 1 1 40 36 26 o 0.5122000      1.337000      ?             ?      
1 1 1 40 36 27 o -0.3528000     1.353000      ?             ?      
1 1 1 40 36 28 o 0.8160000      1.351000      ?             ?      
1 1 1 40 36 29 o 0.6544000E-01  1.565000      ?             ?      
1 1 1 40 36 30 o -0.7005000     1.588000      ?             ?      
1 1 1 40 36 31 o -2.107000      1.550000      ?             ?      
1 1 1 40 36 32 o 0.6587000      2.220000      ?             ?      
1 1 1 40 36 33 o -0.6821000     1.738000      ?             ?      
1 1 1 40 36 34 o -0.4606000     1.710000      ?             ?      
1 1 1 40 37 0  o 0.5393000      1.557000      ?             ?      
1 1 1 40 37 1  o -2.483000      1.389000      ?             ?      
1 1 1 40 37 2  o -1.470000      1.310000      ?             ?      
1 1 1 40 37 3  o -0.6473000     1.345000      ?             ?      
1 1 1 40 37 4  o -1.976000      1.381000      ?             ?      
1 1 1 40 37 5  o -2.003000      1.198000      ?             ?      
1 1 1 40 37 6  o -0.5577000     1.035000      ?             ?      
1 1 1 40 37 7  o -0.4399000     1.054000      ?             ?      
1 1 1 40 37 8  o -0.4438000     1.039000      ?             ?      
1 1 1 40 37 9  o -0.1664000     1.059000      ?             ?      
1 1 1 40 37 10 o 0.3201000      1.074000      ?             ?      
1 1 1 40 37 11 o 0.6683000      1.131000      ?             ?      
1 1 1 40 37 12 o -0.6663000     1.176000      ?             ?      
1 1 1 40 37 13 o 0.4962000      1.324000      ?             ?      
1 1 1 40 37 14 o 0.9260000      1.315000      ?             ?      
1 1 1 40 37 15 o 2.768000       1.556000      ?             ?      
1 1 1 40 37 16 o -1.305000      1.292000      ?             ?      
1 1 1 40 37 17 o -0.8382000     1.288000      ?             ?      
1 1 1 40 37 18 o 0.3580000      1.302000      ?             ?      
1 1 1 40 37 19 o -1.070000      1.174000      ?             ?      
1 1 1 40 37 20 o -0.2411000     1.170000      ?             ?      
1 1 1 40 37 21 o -1.928000      1.208000      ?             ?      
1 1 1 40 37 22 o 1.515000       1.219000      ?             ?      
1 1 1 40 37 23 o 0.3367000      1.198000      ?             ?      
1 1 1 40 37 24 o -0.1908000     1.193000      ?             ?      
1 1 1 40 37 25 o 2.721000       1.326000      ?             ?      
1 1 1 40 37 26 o 1.213000       1.344000      ?             ?      
1 1 1 40 37 27 o -0.1285000E-01 1.328000      ?             ?      
1 1 1 40 37 28 o 2.649000       1.377000      ?             ?      
1 1 1 40 37 29 o 0.1237000      1.598000      ?             ?      
1 1 1 40 37 30 o -0.7408000     1.570000      ?             ?      
1 1 1 40 37 31 o -0.3085000     2.203000      ?             ?      
1 1 1 40 37 32 o -1.849000      2.297000      ?             ?      
1 1 1 40 37 33 o -1.082000      4.399000      ?             ?      
1 1 1 40 38 0  o 2.418000       1.556000      ?             ?      
1 1 1 40 38 1  o 0.8571000      1.411000      ?             ?      
1 1 1 40 38 2  o -0.1752000     1.350000      ?             ?      
1 1 1 40 38 3  o -1.181000      1.383000      ?             ?      
1 1 1 40 38 4  o 1.911000       1.220000      ?             ?      
1 1 1 40 38 5  o -2.112000      1.036000      ?             ?      
1 1 1 40 38 6  o -0.2372000E-01 1.043000      ?             ?      
1 1 1 40 38 7  o 0.4310000      1.046000      ?             ?      
1 1 1 40 38 8  o 0.2288000      1.050000      ?             ?      
1 1 1 40 38 9  o 0.6815000      1.073000      ?             ?      
1 1 1 40 38 10 o -0.7530000     1.111000      ?             ?      
1 1 1 40 38 11 o -0.7106000     1.130000      ?             ?      
1 1 1 40 38 12 o 0.6096000      1.178000      ?             ?      
1 1 1 40 38 13 o 1.704000       1.314000      ?             ?      
1 1 1 40 38 14 o -2.357000      1.523000      ?             ?      
1 1 1 40 38 15 o 1.024000       1.362000      ?             ?      
1 1 1 40 38 16 o -0.7744000     1.169000      ?             ?      
1 1 1 40 38 17 o -0.1508000     1.291000      ?             ?      
1 1 1 40 38 18 o 0.1380000      1.541000      ?             ?      
1 1 1 40 38 19 o 0.5130000      1.346000      ?             ?      
1 1 1 40 38 20 o -0.2172000     1.181000      ?             ?      
1 1 1 40 38 21 o -1.191000      1.187000      ?             ?      
1 1 1 40 38 22 o -1.168000      1.189000      ?             ?      
1 1 1 40 38 23 o -0.5445000     1.204000      ?             ?      
1 1 1 40 38 24 o 0.6736000      1.339000      ?             ?      
1 1 1 40 38 25 o 0.6144000      1.349000      ?             ?      
1 1 1 40 38 26 o 0.2620000E-01  1.043000      ?             ?      
1 1 1 40 38 27 o 2.250000       1.362000      ?             ?      
1 1 1 40 38 28 o -0.4935000     1.373000      ?             ?      
1 1 1 40 38 29 o 2.148000       1.609000      ?             ?      
1 1 1 40 38 30 o -1.034000      1.666000      ?             ?      
1 1 1 40 38 31 o 1.719000       2.407000      ?             ?      
1 1 1 40 39 0  o -0.6584000     1.541000      ?             ?      
1 1 1 40 39 1  o -0.2369000     1.408000      ?             ?      
1 1 1 40 39 2  o 1.267000       1.442000      ?             ?      
1 1 1 40 39 3  o 0.2077000      1.271000      ?             ?      
1 1 1 40 39 4  o -1.351000      1.047000      ?             ?      
1 1 1 40 39 5  o 0.7873000E-01  1.044000      ?             ?      
1 1 1 40 39 6  o -1.292000      1.026000      ?             ?      
1 1 1 40 39 7  o 2.598000       1.055000      ?             ?      
1 1 1 40 39 8  o -1.479000      1.056000      ?             ?      
1 1 1 40 39 9  o -0.7499000     1.073000      ?             ?      
1 1 1 40 39 10 o 2.005000       1.126000      ?             ?      
1 1 1 40 39 11 o -0.8862000     1.244000      ?             ?      
1 1 1 40 39 12 o 0.3497000      1.516000      ?             ?      
1 1 1 40 39 13 o -1.143000      1.305000      ?             ?      
1 1 1 40 39 14 o -0.5336000     1.311000      ?             ?      
1 1 1 40 39 15 o -1.350000      1.154000      ?             ?      
1 1 1 40 39 16 o 0.7100000E-01  1.186000      ?             ?      
1 1 1 40 39 17 o -1.024000      1.326000      ?             ?      
1 1 1 40 39 18 o 0.3278000      1.309000      ?             ?      
1 1 1 40 39 19 o 0.2662000      1.306000      ?             ?      
1 1 1 40 39 20 o -0.6091000     2.440000      ?             ?      
1 1 1 40 39 21 o 0.2346000      1.204000      ?             ?      
1 1 1 40 39 22 o 1.073000       1.214000      ?             ?      
1 1 1 40 39 23 o 1.923000       1.241000      ?             ?      
1 1 1 40 39 24 o 0.8891000E-01  1.369000      ?             ?      
1 1 1 40 39 25 o -0.1663000     1.351000      ?             ?      
1 1 1 40 39 26 o 0.2197000      1.374000      ?             ?      
1 1 1 40 39 27 o -1.018000      1.378000      ?             ?      
1 1 1 40 39 28 o 0.1973000E-01  1.395000      ?             ?      
1 1 1 40 39 29 o -0.9362000     1.185000      ?             ?      
1 1 1 40 39 30 < 0.000000       -1.000000     ?             ?      
1 1 1 40 40 0  o 0.9227000      1.585000      ?             ?      
1 1 1 40 40 1  o 1.042000       1.433000      ?             ?      
1 1 1 40 40 2  o -0.1336000     1.287000      ?             ?      
1 1 1 40 40 3  o -1.257000      1.084000      ?             ?      
1 1 1 40 40 4  o -0.4895000     1.100000      ?             ?      
1 1 1 40 40 5  o -0.7507000     1.062000      ?             ?      
1 1 1 40 40 6  o -0.7088000E-01 1.048000      ?             ?      
1 1 1 40 40 7  o -1.073000      1.070000      ?             ?      
1 1 1 40 40 8  o -0.2000000     1.189000      ?             ?      
1 1 1 40 40 9  o 0.5727000      1.227000      ?             ?      
1 1 1 40 40 10 o -1.032000      1.122000      ?             ?      
1 1 1 40 40 11 o -0.5480000     1.160000      ?             ?      
1 1 1 40 40 12 o 1.761000       1.307000      ?             ?      
1 1 1 40 40 13 o -0.7724000     1.310000      ?             ?      
1 1 1 40 40 14 o -1.381000      1.334000      ?             ?      
1 1 1 40 40 15 o 0.8362000      1.158000      ?             ?      
1 1 1 40 40 16 o -1.040000      1.163000      ?             ?      
1 1 1 40 40 17 o 0.9752000      1.296000      ?             ?      
1 1 1 40 40 18 o 1.097000       1.329000      ?             ?      
1 1 1 40 40 19 o 0.9062000      1.315000      ?             ?      
1 1 1 40 40 20 o 0.9888000      1.319000      ?             ?      
1 1 1 40 40 21 o 0.3596000      1.348000      ?             ?      
1 1 1 40 40 22 o -0.5285000     1.359000      ?             ?      
1 1 1 40 40 23 o -0.1992000     1.360000      ?             ?      
1 1 1 40 40 24 o 1.021000       1.392000      ?             ?      
1 1 1 40 40 25 o -1.063000      1.368000      ?             ?      
1 1 1 40 40 26 o -2.798000      1.377000      ?             ?      
1 1 1 40 40 27 o 1.848000       1.597000      ?             ?      
1 1 1 40 40 28 o 4.001000       2.277000      ?             ?      
1 1 1 40 41 0  o 1.948000       1.640000      ?             ?      
1 1 1 40 41 1  o 0.2603000      1.301000      ?             ?      
1 1 1 40 41 2  o 1.388000       1.160000      ?             ?      
1 1 1 40 41 3  o 0.8139000      1.157000      ?             ?      
1 1 1 40 41 4  o -0.3850000     1.154000      ?             ?      
1 1 1 40 41 5  o 0.4480000      1.090000      ?             ?      
1 1 1 40 41 6  o -0.2356000     1.174000      ?             ?      
1 1 1 40 41 7  o 0.4839000      1.087000      ?             ?      
1 1 1 40 41 8  o -0.8205000E-01 1.089000      ?             ?      
1 1 1 40 41 9  o 1.068000       1.127000      ?             ?      
1 1 1 40 41 10 o 0.3056000      1.177000      ?             ?      
1 1 1 40 41 11 o 0.3532000      1.376000      ?             ?      
1 1 1 40 41 12 o 1.375000       1.316000      ?             ?      
1 1 1 40 41 13 o -0.2453000     1.291000      ?             ?      
1 1 1 40 41 14 o 0.7593000      1.155000      ?             ?      
1 1 1 40 41 15 o 0.9538000      1.156000      ?             ?      
1 1 1 40 41 16 o -0.4428000     1.170000      ?             ?      
1 1 1 40 41 17 o 2.906000       1.333000      ?             ?      
1 1 1 40 41 18 o 1.442000       1.329000      ?             ?      
1 1 1 40 41 19 o -1.524000      1.331000      ?             ?      
1 1 1 40 41 20 o 0.3351000      1.351000      ?             ?      
1 1 1 40 41 21 o 0.1293000      1.369000      ?             ?      
1 1 1 40 41 22 o 0.4373000      1.403000      ?             ?      
1 1 1 40 41 23 o -1.548000      1.398000      ?             ?      
1 1 1 40 41 24 o -0.6309000     1.652000      ?             ?      
1 1 1 40 41 25 o -1.642000      1.077000      ?             ?      
1 1 1 40 41 26 o 0.9975000      1.319000      ?             ?      
1 1 1 40 42 0  o 1.342000       1.534000      ?             ?      
1 1 1 40 42 1  o 1.604000       1.174000      ?             ?      
1 1 1 40 42 2  o -0.4521000     1.172000      ?             ?      
1 1 1 40 42 3  o -1.398000      1.267000      ?             ?      
1 1 1 40 42 4  o -0.9908000     1.194000      ?             ?      
1 1 1 40 42 5  o 0.5455000      1.108000      ?             ?      
1 1 1 40 42 6  o -0.3164000     1.077000      ?             ?      
1 1 1 40 42 7  o 0.8782000      1.117000      ?             ?      
1 1 1 40 42 8  o 2.542000       1.225000      ?             ?      
1 1 1 40 42 9  o -0.7634000     1.197000      ?             ?      
1 1 1 40 42 10 o -0.5477000E-01 1.161000      ?             ?      
1 1 1 40 42 11 o -0.6676000     1.275000      ?             ?      
1 1 1 40 42 12 o 0.5292000      1.298000      ?             ?      
1 1 1 40 42 13 o 0.9393000      1.322000      ?             ?      
1 1 1 40 42 14 o -0.6623000     1.158000      ?             ?      
1 1 1 40 42 15 o -1.850000      1.162000      ?             ?      
1 1 1 40 42 16 o 1.463000       1.194000      ?             ?      
1 1 1 40 42 17 o 0.9077000      1.021000      ?             ?      
1 1 1 40 42 18 o -0.3252000     1.331000      ?             ?      
1 1 1 40 42 19 o 0.2044000E-01  1.361000      ?             ?      
1 1 1 40 42 20 o 0.5327000      2.519000      ?             ?      
1 1 1 40 42 21 o -1.061000      1.409000      ?             ?      
1 1 1 40 42 22 o -1.118000      1.599000      ?             ?      
1 1 1 40 42 23 o 2.313000       1.103000      ?             ?      
1 1 1 40 42 24 < 0.000000       -1.000000     ?             ?      
1 1 1 40 43 0  o 1.477000       1.522000      ?             ?      
1 1 1 40 43 1  o -0.2098000     1.243000      ?             ?      
1 1 1 40 43 2  o 0.4111000      1.192000      ?             ?      
1 1 1 40 43 3  o -1.450000      1.105000      ?             ?      
1 1 1 40 43 4  o 0.4338000      1.129000      ?             ?      
1 1 1 40 43 5  o -0.9698000     1.236000      ?             ?      
1 1 1 40 43 6  o 1.775000       1.204000      ?             ?      
1 1 1 40 43 7  o 0.3994000      1.111000      ?             ?      
1 1 1 40 43 8  o -0.3662000     1.197000      ?             ?      
1 1 1 40 43 9  o -0.4599000     1.167000      ?             ?      
1 1 1 40 43 10 o -0.8226000     1.291000      ?             ?      
1 1 1 40 43 11 o 1.663000       1.295000      ?             ?      
1 1 1 40 43 12 o 0.1897000      1.293000      ?             ?      
1 1 1 40 43 13 o -0.5716000     1.182000      ?             ?      
1 1 1 40 43 14 o 0.3736000      1.173000      ?             ?      
1 1 1 40 43 15 o -0.4880000E-01 1.191000      ?             ?      
1 1 1 40 43 16 o 0.8484000      1.218000      ?             ?      
1 1 1 40 43 17 o 3.323000       1.071000      ?             ?      
1 1 1 40 43 18 o 1.616000       1.370000      ?             ?      
1 1 1 40 43 19 o 2.400000       3.005000      ?             ?      
1 1 1 40 43 20 o -3.410000      1.620000      ?             ?      
1 1 1 40 43 21 o -1.310000      1.575000      ?             ?      
1 1 1 40 44 0  o 1.489000       1.427000      ?             ?      
1 1 1 40 44 1  o -0.4518000     1.143000      ?             ?      
1 1 1 40 44 2  o 0.3407000      1.329000      ?             ?      
1 1 1 40 44 3  o 3.054000       1.332000      ?             ?      
1 1 1 40 44 4  o -0.6381000     1.129000      ?             ?      
1 1 1 40 44 5  o 1.201000       1.136000      ?             ?      
1 1 1 40 44 6  o 1.008000       1.154000      ?             ?      
1 1 1 40 44 7  o -1.730000      1.166000      ?             ?      
1 1 1 40 44 8  o -0.1468000     1.178000      ?             ?      
1 1 1 40 44 9  o -0.8793000     1.217000      ?             ?      
1 1 1 40 44 10 o 2.813000       1.332000      ?             ?      
1 1 1 40 44 11 o -0.5168000     1.288000      ?             ?      
1 1 1 40 44 12 o -0.4880000     1.313000      ?             ?      
1 1 1 40 44 13 o 0.5623000      1.191000      ?             ?      
1 1 1 40 44 14 o 0.3393000      1.194000      ?             ?      
1 1 1 40 44 15 o 0.4166000      1.230000      ?             ?      
1 1 1 40 44 16 o -0.3212000     1.591000      ?             ?      
1 1 1 40 44 17 o -5.191000      2.952000      ?             ?      
1 1 1 40 44 18 o 1.500000       1.617000      ?             ?      
1 1 1 40 45 0  o -2.090000      1.758000      ?             ?      
1 1 1 40 45 1  o -1.420000      1.151000      ?             ?      
1 1 1 40 45 2  o 1.339000       1.190000      ?             ?      
1 1 1 40 45 3  o 0.8461000      1.116000      ?             ?      
1 1 1 40 45 4  o -0.7619000     1.178000      ?             ?      
1 1 1 40 45 5  o -1.003000      1.211000      ?             ?      
1 1 1 40 45 6  o -1.176000      1.222000      ?             ?      
1 1 1 40 45 7  o 0.2946000      1.241000      ?             ?      
1 1 1 40 45 8  o -0.8292000     1.241000      ?             ?      
1 1 1 40 45 9  o 1.626000       1.404000      ?             ?      
1 1 1 40 45 10 o 0.4200000      1.302000      ?             ?      
1 1 1 40 45 11 o -0.5584000E-01 1.529000      ?             ?      
1 1 1 40 45 12 o 0.8372000      1.613000      ?             ?      
1 1 1 40 45 13 o -0.9773000     1.583000      ?             ?      
1 1 1 40 45 14 o -0.2597000     1.555000      ?             ?      
1 1 1 40 45 15 o 1.205000       1.408000      ?             ?      
1 1 1 40 46 0  o -2.279000      1.720000      ?             ?      
1 1 1 40 46 1  o 1.647000       1.060000      ?             ?      
1 1 1 40 46 2  o -0.1395000     1.099000      ?             ?      
1 1 1 40 46 3  o -0.7195000     1.107000      ?             ?      
1 1 1 40 46 4  o 1.314000       1.259000      ?             ?      
1 1 1 40 46 5  o -0.9130000     1.265000      ?             ?      
1 1 1 40 46 6  o 0.4467000      1.187000      ?             ?      
1 1 1 40 46 7  o 1.460000       1.622000      ?             ?      
1 1 1 40 46 8  o -1.308000      1.641000      ?             ?      
1 1 1 40 46 9  o 0.2307000      2.254000      ?             ?      
1 1 1 40 46 10 o 2.018000       1.691000      ?             ?      
1 1 1 41 0  1  o 0.8817000      1.286000      64.70758      -90.0  
1 1 1 41 0  2  o -2.099000      1.297000      38.76104      180.0  
1 1 1 41 0  3  o -1.097000      1.335000      48.57366      90.0   
1 1 1 41 0  4  o -0.9152000     1.378000      4.852378      180.0  
1 1 1 41 0  5  o -1.093000      1.414000      50.94588      90.0   
1 1 1 41 0  6  o -1.381000      1.422000      45.39419      0.0    
1 1 1 41 0  7  o -2.137000      1.434000      37.40216      90.0   
1 1 1 41 0  8  o 0.6084000      1.454000      54.78020      180.0  
1 1 1 41 0  9  o -0.8693000     1.435000      22.25212      -90.0  
1 1 1 41 0  10 o -0.3815000     1.441000      4.676497      -0.0   
1 1 1 41 0  11 o 0.3981000      1.457000      25.91419      90.0   
1 1 1 41 0  12 o -1.475000      1.461000      37.56445      180.0  
1 1 1 41 0  13 o 0.4749000      1.514000      9.326371      90.0   
1 1 1 41 0  14 o 2.553000       1.759000      23.28053      180.0  
1 1 1 41 0  15 o -0.2682000     1.508000      35.63304      90.0   
1 1 1 41 0  16 o 1.065000       1.532000      4.405870      180.0  
1 1 1 41 0  17 o 1.669000       1.534000      30.17579      -90.0  
1 1 1 41 0  18 o 0.9810000      1.508000      35.36281      180.0  
1 1 1 41 0  19 o 0.2510000      1.512000      28.54527      -90.0  
1 1 1 41 0  20 o -1.001000      1.495000      21.46104      -180.0 
1 1 1 41 0  21 o -1.356000      1.763000      13.15577      -90.0  
1 1 1 41 0  22 o 2.775000       1.785000      27.64293      -0.0   
1 1 1 41 0  23 o -2.196000      1.796000      48.46803      90.0   
1 1 1 41 0  24 o 0.8593000      2.055000      23.72691      -180.0 
1 1 1 41 0  25 o 0.1366000      1.694000      ?             ?      
1 1 1 41 0  26 o -1.676000      1.805000      ?             ?      
1 1 1 41 0  27 o -0.2061000     1.804000      ?             ?      
1 1 1 41 0  28 o -0.6176000     1.612000      ?             ?      
1 1 1 41 0  29 o 1.182000       1.576000      ?             ?      
1 1 1 41 0  30 o -0.1285000     1.444000      ?             ?      
1 1 1 41 0  31 o 0.3761000      1.319000      ?             ?      
1 1 1 41 0  32 o 0.1894000      1.322000      ?             ?      
1 1 1 41 0  33 o -1.758000      1.293000      ?             ?      
1 1 1 41 0  34 o 0.5238000      1.422000      ?             ?      
1 1 1 41 0  35 o -1.661000      1.503000      ?             ?      
1 1 1 41 0  36 o -1.446000      1.382000      ?             ?      
1 1 1 41 0  37 o -0.6886000     1.398000      ?             ?      
1 1 1 41 0  38 o -2.069000      1.302000      ?             ?      
1 1 1 41 0  39 o 1.318000       1.301000      ?             ?      
1 1 1 41 0  40 o -0.6143000     1.296000      ?             ?      
1 1 1 41 0  41 o -0.3921000     1.309000      ?             ?      
1 1 1 41 0  42 o 0.8268000      1.336000      ?             ?      
1 1 1 41 0  43 o -0.7944000     1.368000      ?             ?      
1 1 1 41 0  44 o 1.203000       1.414000      ?             ?      
1 1 1 41 0  45 o 1.077000       1.461000      ?             ?      
1 1 1 41 0  46 o -0.4586000     1.487000      ?             ?      
1 1 1 41 0  47 o 0.2843000      1.499000      ?             ?      
1 1 1 41 0  48 o -2.688000      2.025000      ?             ?      
1 1 1 41 0  49 o 6.026000       2.582000      ?             ?      
1 1 1 41 0  50 o 0.4717000      1.836000      ?             ?      
1 1 1 41 0  51 o -2.165000      3.470000      ?             ?      
1 1 1 41 0  52 o 0.8728000      1.783000      ?             ?      
1 1 1 41 1  0  o -1.191000      1.301000      27.75340      -90.0  
1 1 1 41 1  1  o -2.577000      0.9240000     39.07062      -12.8  
1 1 1 41 1  2  o -1.588000      0.9267000     14.14358      -149.2 
1 1 1 41 1  3  o -0.3537000     0.9409000     18.41910      -82.6  
1 1 1 41 1  4  o -0.5639000E-01 0.9749000     53.83073      -156.3 
1 1 1 41 1  5  o 1.461000       0.9951000     91.23591      -130.3 
1 1 1 41 1  6  o -0.2403000E-01 1.003000      100.1570      -88.7  
1 1 1 41 1  7  o 0.5512000      1.000000      27.50493      -157.4 
1 1 1 41 1  8  o -0.3784000     1.005000      61.62030      -134.7 
1 1 1 41 1  9  o 0.3778000      1.014000      40.51305      62.2   
1 1 1 41 1  10 o -0.9896000     1.020000      16.50840      55.2   
1 1 1 41 1  11 o 0.3737000      1.038000      39.57731      -166.7 
1 1 1 41 1  12 o -1.075000      1.038000      22.72911      -76.2  
1 1 1 41 1  13 o -0.7180000     1.090000      41.88778      11.3   
1 1 1 41 1  14 o 0.4117000      1.127000      33.54956      39.1   
1 1 1 41 1  15 o 0.5610000      1.087000      39.37123      -105.3 
1 1 1 41 1  16 o 0.2227000      1.080000      21.22725      144.0  
1 1 1 41 1  17 o 1.372000       1.082000      34.75444      147.6  
1 1 1 41 1  18 o -0.7220000     1.073000      50.68023      -131.3 
1 1 1 41 1  19 o 1.070000       1.058000      47.78060      166.1  
1 1 1 41 1  20 o -1.095000      1.062000      37.70274      -49.1  
1 1 1 41 1  21 o -0.4194000     1.166000      31.45551      24.5   
1 1 1 41 1  22 o -1.282000      1.255000      19.58430      -89.6  
1 1 1 41 1  23 o 1.481000       1.280000      55.24388      173.2  
1 1 1 41 1  24 o 1.164000       1.544000      63.71751      61.4   
1 1 1 41 1  25 o -0.8078000     1.233000      ?             ?      
1 1 1 41 1  26 o -1.216000      1.225000      ?             ?      
1 1 1 41 1  27 o -1.695000      1.336000      ?             ?      
1 1 1 41 1  28 o -1.848000      1.192000      ?             ?      
1 1 1 41 1  29 o -0.2918000     1.083000      ?             ?      
1 1 1 41 1  30 o 1.039000       0.9935000     ?             ?      
1 1 1 41 1  31 o -0.9817000     0.9762000     ?             ?      
1 1 1 41 1  32 o 0.3316000      0.9781000     ?             ?      
1 1 1 41 1  33 o 0.4007000      0.9543000     ?             ?      
1 1 1 41 1  34 o -0.5990000     0.9486000     ?             ?      
1 1 1 41 1  35 o -0.1788000     0.9484000     ?             ?      
1 1 1 41 1  36 o -0.6183000     0.9551000     ?             ?      
1 1 1 41 1  37 o -1.623000      0.9819000     ?             ?      
1 1 1 41 1  38 o -0.5610000     0.9492000     ?             ?      
1 1 1 41 1  39 o -1.750000      0.9637000     ?             ?      
1 1 1 41 1  40 o -0.1953000     0.9501000     ?             ?      
1 1 1 41 1  41 o -0.5093000     0.9304000     ?             ?      
1 1 1 41 1  42 o 0.5481000      0.9469000     ?             ?      
1 1 1 41 1  43 o 0.8673000      0.9581000     ?             ?      
1 1 1 41 1  44 o -0.6929000     1.446000      ?             ?      
1 1 1 41 1  45 o 1.105000       1.039000      ?             ?      
1 1 1 41 1  46 o -0.3489000     1.048000      ?             ?      
1 1 1 41 1  47 o -0.3366000     1.135000      ?             ?      
1 1 1 41 1  48 o 1.330000       2.041000      ?             ?      
1 1 1 41 1  49 o -1.951000      2.037000      ?             ?      
1 1 1 41 1  50 o 1.253000       1.589000      ?             ?      
1 1 1 41 1  51 o 1.296000       1.360000      ?             ?      
1 1 1 41 1  52 o -0.2983000     1.462000      ?             ?      
1 1 1 41 2  0  o -1.396000      1.295000      87.68900      -90.0  
1 1 1 41 2  1  o -0.2997000     0.9202000     42.09018      33.2   
1 1 1 41 2  2  o -0.2497000     0.9276000     25.83967      161.3  
1 1 1 41 2  3  o -0.2973000     0.9421000     86.63176      179.8  
1 1 1 41 2  4  o -0.3820000     0.9639000     3.776141      107.2  
1 1 1 41 2  5  f 0.7721000      0.9765000     47.61048      20.9   
1 1 1 41 2  6  o 0.8653000      0.9824000     64.80287      -56.8  
1 1 1 41 2  7  o -0.8742000     1.000000      71.07343      -129.6 
1 1 1 41 2  8  o -0.9248000     0.9882000     56.12209      -129.4 
1 1 1 41 2  9  o -0.7612000     1.010000      57.85487      59.1   
1 1 1 41 2  10 o 0.1497000      1.027000      54.12828      -162.5 
1 1 1 41 2  11 o -0.1253000     1.035000      67.71604      83.3   
1 1 1 41 2  12 o 0.1513000      1.061000      64.19493      -176.9 
1 1 1 41 2  13 o -0.1587000     1.116000      13.72356      -75.3  
1 1 1 41 2  14 o -0.7364000     1.113000      41.12300      84.3   
1 1 1 41 2  15 o 0.2710000      1.169000      35.01209      -126.8 
1 1 1 41 2  16 o -0.2831000     1.081000      74.58816      -137.2 
1 1 1 41 2  17 o 0.9327000      1.069000      45.06020      168.4  
1 1 1 41 2  18 o -0.2672000     1.068000      9.518961      79.9   
1 1 1 41 2  19 o 1.542000       1.056000      68.30495      165.8  
1 1 1 41 2  20 o -0.9646000     1.046000      29.11639      -159.6 
1 1 1 41 2  21 o 0.1710000      1.152000      83.06124      0.6    
1 1 1 41 2  22 o 0.5858000      1.268000      90.89428      164.0  
1 1 1 41 2  23 o -2.058000      1.335000      3.153455      -89.5  
1 1 1 41 2  24 o -0.8957000E-01 1.543000      37.23273      -163.3 
1 1 1 41 2  25 o -2.214000      1.802000      ?             ?      
1 1 1 41 2  26 o -0.7225000     1.245000      ?             ?      
1 1 1 41 2  27 o -1.376000      1.196000      ?             ?      
1 1 1 41 2  28 f -0.9309000E-01 1.262000      ?             ?      
1 1 1 41 2  29 f -0.3244000     1.087000      ?             ?      
1 1 1 41 2  30 o -2.275000      1.017000      ?             ?      
1 1 1 41 2  31 o -0.9320000     1.006000      ?             ?      
1 1 1 41 2  32 o -0.4432000     0.9649000     ?             ?      
1 1 1 41 2  33 o 0.3149000      0.9229000     ?             ?      
1 1 1 41 2  34 o -0.1784000     0.9186000     ?             ?      
1 1 1 41 2  35 o -0.1301000     0.9178000     ?             ?      
1 1 1 41 2  36 o 0.3874000      0.9183000     ?             ?      
1 1 1 41 2  37 o -0.2226000     0.9221000     ?             ?      
1 1 1 41 2  38 o 0.2184000      0.9226000     ?             ?      
1 1 1 41 2  39 o -0.2376000     0.9601000     ?             ?      
1 1 1 41 2  40 o 1.357000       0.9638000     ?             ?      
1 1 1 41 2  41 o 0.5093000      0.9720000     ?             ?      
1 1 1 41 2  42 o 0.4402000      0.9800000     ?             ?      
1 1 1 41 2  43 o 0.2870000      0.9834000     ?             ?      
1 1 1 41 2  44 o -0.8607000E-01 1.048000      ?             ?      
1 1 1 41 2  45 o -2.089000      1.065000      ?             ?      
1 1 1 41 2  46 o -1.579000      1.249000      ?             ?      
1 1 1 41 2  47 o -1.577000      1.268000      ?             ?      
1 1 1 41 2  48 o -1.814000      1.261000      ?             ?      
1 1 1 41 2  49 o -0.8595000     1.621000      ?             ?      
1 1 1 41 2  50 o -0.7110000     1.921000      ?             ?      
1 1 1 41 2  51 o -0.4072000     1.258000      ?             ?      
1 1 1 41 2  52 o -1.191000      1.485000      ?             ?      
1 1 1 41 3  0  o 0.3080000E-01  1.304000      103.5263      -90.0  
1 1 1 41 3  1  o 0.7803000      0.9331000     98.32684      -107.0 
1 1 1 41 3  2  o 0.8625000E-01  0.9379000     62.16239      -95.1  
1 1 1 41 3  3  o 0.1812000E-01  0.9453000     93.99682      -79.1  
1 1 1 41 3  4  o -0.1670000     0.9536000     69.60864      158.2  
1 1 1 41 3  5  o -0.1072000     0.9593000     37.31797      -64.1  
1 1 1 41 3  6  o -1.731000      0.9656000     73.48156      -102.7 
1 1 1 41 3  7  o 0.8141000      0.9816000     43.57209      -10.6  
1 1 1 41 3  8  o -0.9164000     0.9847000     85.22417      -130.9 
1 1 1 41 3  9  o -0.4062000     1.018000      58.33162      -166.8 
1 1 1 41 3  10 o -0.5407000     1.025000      119.0755      -132.6 
1 1 1 41 3  11 o -1.311000      1.032000      139.3616      -103.1 
1 1 1 41 3  12 o 0.7354000      1.173000      78.33151      -175.2 
1 1 1 41 3  13 o -0.1389000     1.111000      49.15711      -127.4 
1 1 1 41 3  14 o -0.8028000     1.126000      56.49236      -44.4  
1 1 1 41 3  15 o 0.6198000      1.145000      105.6417      -154.1 
1 1 1 41 3  16 o -1.463000      1.097000      36.70554      92.3   
1 1 1 41 3  17 o 1.090000       1.067000      64.74852      -117.6 
1 1 1 41 3  18 o 1.231000       1.065000      68.81599      -131.8 
1 1 1 41 3  19 o -0.5588000     1.056000      32.25786      101.6  
1 1 1 41 3  20 o -0.3181000     1.047000      58.50559      -19.2  
1 1 1 41 3  21 o 0.5228000      1.146000      28.02984      -129.6 
1 1 1 41 3  22 o -0.5103000     1.329000      11.07836      12.1   
1 1 1 41 3  23 o 0.8938000      1.361000      46.01717      -104.7 
1 1 1 41 3  24 o 1.840000       1.750000      88.67387      63.3   
1 1 1 41 3  25 o -0.4354000     1.772000      ?             ?      
1 1 1 41 3  26 o 0.7648000      1.388000      ?             ?      
1 1 1 41 3  27 o -0.4690000     1.236000      ?             ?      
1 1 1 41 3  28 o -1.274000      1.227000      ?             ?      
1 1 1 41 3  29 o -1.058000      1.071000      ?             ?      
1 1 1 41 3  30 o -0.3141000     1.065000      ?             ?      
1 1 1 41 3  31 o -1.486000      1.006000      ?             ?      
1 1 1 41 3  32 o -0.3794000     0.9719000     ?             ?      
1 1 1 41 3  33 o -0.7192000     0.9256000     ?             ?      
1 1 1 41 3  34 o 0.7731000      0.9329000     ?             ?      
1 1 1 41 3  35 o -0.8072000     0.9143000     ?             ?      
1 1 1 41 3  36 o -0.5226000     0.9043000     ?             ?      
1 1 1 41 3  37 o 0.2064000      0.9125000     ?             ?      
1 1 1 41 3  38 o 0.9207000      0.9201000     ?             ?      
1 1 1 41 3  39 o 0.6448000      0.9218000     ?             ?      
1 1 1 41 3  40 o 0.2145000      0.9295000     ?             ?      
1 1 1 41 3  41 o -0.8047000     0.9771000     ?             ?      
1 1 1 41 3  42 o 0.3625000      1.093000      ?             ?      
1 1 1 41 3  43 o -0.3759000     0.9905000     ?             ?      
1 1 1 41 3  44 o -0.6166000     1.351000      ?             ?      
1 1 1 41 3  45 o -0.4614000     1.028000      ?             ?      
1 1 1 41 3  46 o -0.2528000E-02 1.019000      ?             ?      
1 1 1 41 3  47 o -1.202000      1.249000      ?             ?      
1 1 1 41 3  48 o -0.7053000     1.258000      ?             ?      
1 1 1 41 3  49 o -1.236000      1.508000      ?             ?      
1 1 1 41 3  50 o 1.333000       3.476000      ?             ?      
1 1 1 41 3  51 o 0.1471000      1.362000      ?             ?      
1 1 1 41 3  52 o 1.484000       1.350000      ?             ?      
1 1 1 41 4  0  o -0.3044000     1.287000      4.998741      90.0   
1 1 1 41 4  1  o 0.3876000      0.9257000     129.7063      11.7   
1 1 1 41 4  2  o 1.059000       0.9442000     95.37195      -135.6 
1 1 1 41 4  3  o 1.115000       0.9375000     91.51302      -151.0 
1 1 1 41 4  4  o 0.3529000      0.9381000     96.00169      -17.1  
1 1 1 41 4  5  o 0.8084000      0.9468000     13.33660      -110.8 
1 1 1 41 4  6  o 0.1225000      0.9665000     84.31367      -99.4  
1 1 1 41 4  7  o -1.190000      0.9698000     143.8511      -28.1  
1 1 1 41 4  8  o 0.5481000      0.9750000     51.38872      3.7    
1 1 1 41 4  9  o 1.122000       0.9941000     132.4324      -9.6   
1 1 1 41 4  10 o -0.9558000     1.019000      74.49943      125.2  
1 1 1 41 4  11 f 0.8570000      1.053000      103.7089      -51.6  
1 1 1 41 4  12 o 0.6849000      1.114000      129.4098      -129.2 
1 1 1 41 4  13 o 1.092000       1.118000      84.35900      47.6   
1 1 1 41 4  14 o -1.715000      1.118000      46.31331      103.9  
1 1 1 41 4  15 o 2.416000       1.140000      30.00773      144.0  
1 1 1 41 4  16 o -3.074000      1.190000      171.7678      -58.3  
1 1 1 41 4  17 o 0.9855000E-02  1.087000      51.64859      70.7   
1 1 1 41 4  18 o -0.6503000     1.061000      73.10971      -138.0 
1 1 1 41 4  19 o -1.327000      1.069000      79.01493      124.3  
1 1 1 41 4  20 o -0.3585000     1.158000      94.75420      -63.3  
1 1 1 41 4  21 o -0.8930000     1.159000      103.4759      105.2  
1 1 1 41 4  22 o -2.330000      1.344000      117.8077      179.1  
1 1 1 41 4  23 o 1.838000       1.540000      91.85667      150.6  
1 1 1 41 4  24 o -0.7593000     1.422000      48.70057      128.3  
1 1 1 41 4  25 o -1.533000      1.920000      ?             ?      
1 1 1 41 4  26 o -0.9229000E-01 1.281000      ?             ?      
1 1 1 41 4  27 o -1.557000      1.153000      ?             ?      
1 1 1 41 4  28 o -0.4846000     1.066000      ?             ?      
1 1 1 41 4  29 o -1.158000      1.025000      ?             ?      
1 1 1 41 4  30 o -0.8833000     1.030000      ?             ?      
1 1 1 41 4  31 o 0.1990000      1.023000      ?             ?      
1 1 1 41 4  32 o 0.1806000      0.9782000     ?             ?      
1 1 1 41 4  33 o 0.8217000      0.9304000     ?             ?      
1 1 1 41 4  34 o -1.192000      0.9207000     ?             ?      
1 1 1 41 4  35 o 0.7698000E-02  0.9108000     ?             ?      
1 1 1 41 4  36 o 0.7822000      0.9136000     ?             ?      
1 1 1 41 4  37 o -1.001000      0.9058000     ?             ?      
1 1 1 41 4  38 o -0.2288000     0.9084000     ?             ?      
1 1 1 41 4  39 o -1.448000      0.9529000     ?             ?      
1 1 1 41 4  40 o 1.268000       0.9818000     ?             ?      
1 1 1 41 4  41 o 0.3070000      1.123000      ?             ?      
1 1 1 41 4  42 o -1.016000      1.194000      ?             ?      
1 1 1 41 4  43 o -1.199000      0.9978000     ?             ?      
1 1 1 41 4  44 o 1.080000       1.053000      ?             ?      
1 1 1 41 4  45 o 0.2935000      1.025000      ?             ?      
1 1 1 41 4  46 o -0.8136000     1.071000      ?             ?      
1 1 1 41 4  47 o 1.145000       1.217000      ?             ?      
1 1 1 41 4  48 o -0.4092000     1.265000      ?             ?      
1 1 1 41 4  49 o 0.4805000      1.239000      ?             ?      
1 1 1 41 4  50 o -1.167000      1.912000      ?             ?      
1 1 1 41 4  51 o -0.3012000     1.470000      ?             ?      
1 1 1 41 4  52 o -1.563000      2.145000      ?             ?      
1 1 1 41 5  0  o 0.6232000      1.293000      52.88483      90.0   
1 1 1 41 5  1  o 2.803000       0.9235000     55.85915      59.1   
1 1 1 41 5  2  o -0.5464000     0.9255000     40.06597      177.1  
1 1 1 41 5  3  o -0.5244000E-01 0.9339000     63.35611      -61.0  
1 1 1 41 5  4  o 0.2716000      0.9346000     109.5324      -62.4  
1 1 1 41 5  5  o -0.3946000     0.9278000     111.6868      107.2  
1 1 1 41 5  6  o -0.1077000     0.9522000     138.2920      100.2  
1 1 1 41 5  7  o -0.5434000     0.9629000     96.50655      -36.5  
1 1 1 41 5  8  o 1.218000       0.9804000     125.7216      99.2   
1 1 1 41 5  9  o -0.9450000E-01 0.9852000     171.0208      -151.3 
1 1 1 41 5  10 o 0.5170000      1.011000      51.85103      115.8  
1 1 1 41 5  11 o 2.071000       1.176000      175.3819      -132.4 
1 1 1 41 5  12 o 0.7947000      1.121000      140.0216      136.3  
1 1 1 41 5  13 o 0.2947000      1.132000      171.0770      -104.1 
1 1 1 41 5  14 o 1.476000       1.132000      98.76528      66.4   
1 1 1 41 5  15 o -2.297000      1.128000      64.34882      -103.8 
1 1 1 41 5  16 o -1.169000      1.138000      78.03792      4.1    
1 1 1 41 5  17 o -0.4686000     1.268000      137.9119      20.6   
1 1 1 41 5  18 o 1.190000       1.078000      57.69279      89.3   
1 1 1 41 5  19 o -0.2735000     1.077000      36.36255      -37.8  
1 1 1 41 5  20 o -0.5682000     1.171000      144.5337      -146.4 
1 1 1 41 5  21 o 1.288000       1.300000      71.41869      -100.0 
1 1 1 41 5  22 o -0.8727000     1.639000      92.63914      -90.8  
1 1 1 41 5  23 o -2.594000      1.947000      104.9935      -103.1 
1 1 1 41 5  24 o 1.436000       1.793000      101.8444      118.1  
1 1 1 41 5  25 o 1.412000       1.506000      ?             ?      
1 1 1 41 5  26 o 1.474000       1.170000      ?             ?      
1 1 1 41 5  27 o -0.7957000     1.152000      ?             ?      
1 1 1 41 5  28 o 1.056000       1.070000      ?             ?      
1 1 1 41 5  29 o -0.7309000     1.026000      ?             ?      
1 1 1 41 5  30 o -0.1070000     1.020000      ?             ?      
1 1 1 41 5  31 o -0.1402000     1.031000      ?             ?      
1 1 1 41 5  32 o -1.137000      1.006000      ?             ?      
1 1 1 41 5  33 o -0.3831000     0.9628000     ?             ?      
1 1 1 41 5  34 o 1.264000       0.9217000     ?             ?      
1 1 1 41 5  35 o 1.166000       0.9149000     ?             ?      
1 1 1 41 5  36 o 0.5656000      0.9141000     ?             ?      
1 1 1 41 5  37 o 1.814000       0.9635000     ?             ?      
1 1 1 41 5  38 o 0.7056000      0.9728000     ?             ?      
1 1 1 41 5  39 o -1.284000      1.099000      ?             ?      
1 1 1 41 5  40 o 0.4240000      1.088000      ?             ?      
1 1 1 41 5  41 o 2.488000       0.9843000     ?             ?      
1 1 1 41 5  42 o 0.1893000      0.9840000     ?             ?      
1 1 1 41 5  43 o -0.3541000     0.9956000     ?             ?      
1 1 1 41 5  44 o 0.4286000E-01  1.008000      ?             ?      
1 1 1 41 5  45 o -0.3892000     1.018000      ?             ?      
1 1 1 41 5  46 o 1.350000       1.100000      ?             ?      
1 1 1 41 5  47 o 0.2772000      1.289000      ?             ?      
1 1 1 41 5  48 o -1.935000      1.281000      ?             ?      
1 1 1 41 5  49 o -0.4616000     1.219000      ?             ?      
1 1 1 41 5  50 o -0.5380000     1.524000      ?             ?      
1 1 1 41 5  51 o 0.4620000      1.380000      ?             ?      
1 1 1 41 5  52 o 0.7347000      2.240000      ?             ?      
1 1 1 41 6  0  o 0.9353000E-01  1.320000      222.4861      -90.0  
1 1 1 41 6  1  o -0.5019000     0.9228000     47.69039      -65.3  
1 1 1 41 6  2  o 0.2859000E-01  0.9265000     39.88790      65.5   
1 1 1 41 6  3  o 0.3441000      0.9268000     28.99712      18.0   
1 1 1 41 6  4  o 0.4315000      0.9224000     72.86704      -87.2  
1 1 1 41 6  5  o -0.1283000     0.9293000     129.5559      59.3   
1 1 1 41 6  6  o -0.8055000     0.9418000     61.77254      -115.5 
1 1 1 41 6  7  o 0.2075000      0.9540000     42.48317      -65.2  
1 1 1 41 6  8  o -0.4137000     0.9672000     146.4116      -40.0  
1 1 1 41 6  9  o 1.246000       0.9735000     114.7729      156.7  
1 1 1 41 6  10 o -0.4598000     0.9953000     52.97474      -42.1  
1 1 1 41 6  11 o 2.038000       1.122000      158.5160      -68.7  
1 1 1 41 6  12 o 0.1021000      1.125000      115.1401      -49.1  
1 1 1 41 6  13 o 1.114000       1.141000      182.8893      96.9   
1 1 1 41 6  14 o 2.697000       1.153000      143.3664      13.2   
1 1 1 41 6  15 o 0.4734000      1.139000      184.9518      91.5   
1 1 1 41 6  16 o -0.7752000     1.148000      65.36811      -97.8  
1 1 1 41 6  17 o 3.620000       1.184000      197.5072      108.8  
1 1 1 41 6  18 o 0.6655000      1.095000      62.33314      -7.9   
1 1 1 41 6  19 o 0.3664000      1.185000      96.36912      -14.5  
1 1 1 41 6  20 o 1.279000       1.420000      68.01782      -42.9  
1 1 1 41 6  21 o 0.7648000E-01  1.311000      63.29903      53.6   
1 1 1 41 6  22 o 0.1061000      1.298000      40.67189      170.7  
1 1 1 41 6  23 o -1.254000      1.758000      176.2580      127.9  
1 1 1 41 6  24 o 1.451000       1.543000      ?             ?      
1 1 1 41 6  25 o -0.4811000     1.467000      ?             ?      
1 1 1 41 6  26 o 0.1742000      1.230000      ?             ?      
1 1 1 41 6  27 o -0.1449000     1.027000      ?             ?      
1 1 1 41 6  28 o 0.2475000      1.057000      ?             ?      
1 1 1 41 6  29 o -0.7047000E-01 1.031000      ?             ?      
1 1 1 41 6  30 o 0.7718000      1.007000      ?             ?      
1 1 1 41 6  31 o -1.430000      1.034000      ?             ?      
1 1 1 41 6  32 o -0.2739000     1.007000      ?             ?      
1 1 1 41 6  33 o -0.5040000E-01 0.9745000     ?             ?      
1 1 1 41 6  34 o -0.5942000E-01 1.007000      ?             ?      
1 1 1 41 6  35 o -0.1336000     0.9677000     ?             ?      
1 1 1 41 6  36 o 2.364000       1.109000      ?             ?      
1 1 1 41 6  37 o -0.2672000E-01 1.112000      ?             ?      
1 1 1 41 6  38 o -0.1444000     0.9155000     ?             ?      
1 1 1 41 6  39 o 0.3856000      0.9166000     ?             ?      
1 1 1 41 6  40 o 0.7499000      0.9542000     ?             ?      
1 1 1 41 6  41 o 0.3244000      0.9752000     ?             ?      
1 1 1 41 6  42 o 0.2301000      0.9811000     ?             ?      
1 1 1 41 6  43 o -0.8405000     0.9861000     ?             ?      
1 1 1 41 6  44 o -0.2612000E-01 1.000000      ?             ?      
1 1 1 41 6  45 o -0.7859000E-01 1.016000      ?             ?      
1 1 1 41 6  46 o -0.2953000     1.161000      ?             ?      
1 1 1 41 6  47 o -0.3786000     1.155000      ?             ?      
1 1 1 41 6  48 o 0.6342000      1.228000      ?             ?      
1 1 1 41 6  49 o -0.4371000     1.223000      ?             ?      
1 1 1 41 6  50 o -1.163000      1.387000      ?             ?      
1 1 1 41 6  51 o 0.9725000      2.513000      ?             ?      
1 1 1 41 7  0  o 1.250000       1.294000      34.05153      -90.0  
1 1 1 41 7  1  o 0.2417000      0.9215000     118.9741      117.7  
1 1 1 41 7  2  o 1.060000       0.9322000     231.4313      96.0   
1 1 1 41 7  3  f 2.227000       0.9320000     141.8765      -50.3  
1 1 1 41 7  4  o 1.529000       0.9293000     112.2231      64.0   
1 1 1 41 7  5  o 1.274000       0.9438000     208.1577      93.1   
1 1 1 41 7  6  o 1.335000       0.9490000     168.5479      136.4  
1 1 1 41 7  7  o 0.6350000      0.9531000     152.1821      -60.6  
1 1 1 41 7  8  o 0.3644000      0.9606000     65.59123      -116.2 
1 1 1 41 7  9  o 0.8806000      0.9584000     42.65080      -138.6 
1 1 1 41 7  10 o 0.8782000      1.090000      136.3809      93.7   
1 1 1 41 7  11 o 3.440000       1.129000      173.6219      -176.7 
1 1 1 41 7  12 o 1.896000       1.130000      57.08054      80.0   
1 1 1 41 7  13 o 0.1892000      1.159000      99.35847      -37.9  
1 1 1 41 7  14 o 1.927000       1.159000      222.6084      111.8  
1 1 1 41 7  15 o 0.3132000      1.143000      93.90314      -126.3 
1 1 1 41 7  16 o -1.567000      1.142000      130.6277      167.8  
1 1 1 41 7  17 o 1.169000       1.160000      198.0622      59.9   
1 1 1 41 7  18 o 0.3426000      1.237000      115.2926      110.2  
1 1 1 41 7  19 o 1.321000       1.393000      130.7637      -49.6  
1 1 1 41 7  20 o -0.5548000     1.262000      125.2839      -176.6 
1 1 1 41 7  21 o 0.2860000      1.207000      34.66869      -154.5 
1 1 1 41 7  22 o 0.4028000      1.374000      46.64904      123.0  
1 1 1 41 7  23 o -0.7083000     1.763000      111.1821      -76.3  
1 1 1 41 7  24 o -1.288000      1.499000      ?             ?      
1 1 1 41 7  25 o 0.9365000      1.333000      ?             ?      
1 1 1 41 7  26 o 1.987000       1.231000      ?             ?      
1 1 1 41 7  27 o 1.173000       1.034000      ?             ?      
1 1 1 41 7  28 o 0.1334000      1.048000      ?             ?      
1 1 1 41 7  29 o 0.4773000      1.044000      ?             ?      
1 1 1 41 7  30 o 0.3648000      1.037000      ?             ?      
1 1 1 41 7  31 o 1.013000       1.024000      ?             ?      
1 1 1 41 7  32 o -1.382000      1.070000      ?             ?      
1 1 1 41 7  33 o 0.5864000      1.076000      ?             ?      
1 1 1 41 7  34 o 0.3350000      1.280000      ?             ?      
1 1 1 41 7  35 o -0.9357000     1.108000      ?             ?      
1 1 1 41 7  36 o 0.6196000      0.9263000     ?             ?      
1 1 1 41 7  37 o 0.5581000      0.9122000     ?             ?      
1 1 1 41 7  38 o -1.434000      0.9088000     ?             ?      
1 1 1 41 7  39 o 0.4598000      0.9099000     ?             ?      
1 1 1 41 7  40 o 1.468000       0.9643000     ?             ?      
1 1 1 41 7  41 o 0.7501000      0.9747000     ?             ?      
1 1 1 41 7  42 o -0.4461000     0.9778000     ?             ?      
1 1 1 41 7  43 o -0.9215000     0.9850000     ?             ?      
1 1 1 41 7  44 o 0.3912000      0.9905000     ?             ?      
1 1 1 41 7  45 o -1.526000      1.005000      ?             ?      
1 1 1 41 7  46 o -0.3487000     1.152000      ?             ?      
1 1 1 41 7  47 o -1.056000      1.196000      ?             ?      
1 1 1 41 7  48 o -0.9496000     1.163000      ?             ?      
1 1 1 41 7  49 o -1.863000      1.226000      ?             ?      
1 1 1 41 7  50 o -0.8246000     1.167000      ?             ?      
1 1 1 41 7  51 o 0.8154000      1.381000      ?             ?      
1 1 1 41 8  0  o 1.111000       1.302000      210.0711      -90.0  
1 1 1 41 8  1  o 1.991000       0.9176000     231.5780      107.0  
1 1 1 41 8  2  o 0.1073000      0.9160000     54.16755      70.9   
1 1 1 41 8  3  o 3.486000       0.9383000     322.5331      154.6  
1 1 1 41 8  4  o 1.165000       0.9438000     92.65234      -123.5 
1 1 1 41 8  5  o 1.895000       0.9526000     154.4133      62.3   
1 1 1 41 8  6  o 0.9404000      0.9514000     117.9067      -46.5  
1 1 1 41 8  7  o 0.9502000      0.9672000     199.8848      -134.0 
1 1 1 41 8  8  o 0.7255000      0.9625000     125.5249      -28.0  
1 1 1 41 8  9  o 0.1612000      0.9751000     65.25202      150.5  
1 1 1 41 8  10 o 2.005000       1.052000      101.1735      -12.0  
1 1 1 41 8  11 o 1.618000       1.113000      90.89502      -169.6 
1 1 1 41 8  12 o 1.494000       1.125000      104.7843      0.3    
1 1 1 41 8  13 o 1.551000       1.146000      140.9661      143.3  
1 1 1 41 8  14 o 1.313000       1.165000      254.4719      -10.8  
1 1 1 41 8  15 o 3.563000       1.206000      227.4017      158.2  
1 1 1 41 8  16 o -1.052000      1.170000      51.58054      10.6   
1 1 1 41 8  17 o -0.9211000     1.172000      63.04590      87.9   
1 1 1 41 8  18 o 0.7702000      1.156000      104.9932      4.2    
1 1 1 41 8  19 o 0.4958000      1.333000      141.0750      -92.4  
1 1 1 41 8  20 o -0.1675000     1.198000      43.80887      15.5   
1 1 1 41 8  21 o -0.9174000     1.266000      98.60160      -117.2 
1 1 1 41 8  22 o 0.1807000      1.372000      81.58334      108.4  
1 1 1 41 8  23 o 0.1893000      1.525000      118.4012      137.2  
1 1 1 41 8  24 o 0.4560000      1.477000      ?             ?      
1 1 1 41 8  25 o 1.032000       1.206000      ?             ?      
1 1 1 41 8  26 o 2.985000       1.186000      ?             ?      
1 1 1 41 8  27 o 0.2702000      1.028000      ?             ?      
1 1 1 41 8  28 o 1.335000       1.007000      ?             ?      
1 1 1 41 8  29 o 1.599000       1.053000      ?             ?      
1 1 1 41 8  30 o 2.100000       1.073000      ?             ?      
1 1 1 41 8  31 o 0.6427000      1.048000      ?             ?      
1 1 1 41 8  32 o 0.4866000      1.342000      ?             ?      
1 1 1 41 8  33 o 1.528000       1.023000      ?             ?      
1 1 1 41 8  34 o -0.3212000     1.014000      ?             ?      
1 1 1 41 8  35 o 0.2547000      0.9220000     ?             ?      
1 1 1 41 8  36 o -0.2287000     0.9159000     ?             ?      
1 1 1 41 8  37 o -1.033000      0.9028000     ?             ?      
1 1 1 41 8  38 o -0.6508000     0.9068000     ?             ?      
1 1 1 41 8  39 o 0.3948000      0.9311000     ?             ?      
1 1 1 41 8  40 o -0.8952000     0.9359000     ?             ?      
1 1 1 41 8  41 o -0.2738000     0.9494000     ?             ?      
1 1 1 41 8  42 o 1.546000       0.9761000     ?             ?      
1 1 1 41 8  43 o 0.2203000E-01  0.9734000     ?             ?      
1 1 1 41 8  44 o 0.4744000      0.9888000     ?             ?      
1 1 1 41 8  45 o -1.205000      1.010000      ?             ?      
1 1 1 41 8  46 o 1.786000       1.161000      ?             ?      
1 1 1 41 8  47 o -1.118000      1.258000      ?             ?      
1 1 1 41 8  48 o -0.5815000     1.150000      ?             ?      
1 1 1 41 8  49 o 0.9930000      1.109000      ?             ?      
1 1 1 41 8  50 o 0.6425000      1.111000      ?             ?      
1 1 1 41 8  51 o -1.617000      1.337000      ?             ?      
1 1 1 41 9  0  o 0.8471000      1.286000      91.12847      90.0   
1 1 1 41 9  1  o 3.671000       0.9297000     280.1727      141.4  
1 1 1 41 9  2  o 1.828000       0.9262000     132.6894      101.0  
1 1 1 41 9  3  o 1.569000       0.9170000     211.4586      -66.9  
1 1 1 41 9  4  o 0.9366000      0.9379000     74.79227      135.2  
1 1 1 41 9  5  o 1.810000       0.9492000     165.7906      52.0   
1 1 1 41 9  6  o 1.550000       0.9499000     193.0229      167.7  
1 1 1 41 9  7  o 1.466000       0.9642000     142.7401      -85.7  
1 1 1 41 9  8  o 3.407000       0.9748000     275.2564      -64.9  
1 1 1 41 9  9  o 2.548000       1.039000      199.5545      84.5   
1 1 1 41 9  10 o 2.488000       1.108000      75.85313      131.9  
1 1 1 41 9  11 o 2.584000       1.057000      51.82804      152.2  
1 1 1 41 9  12 o 2.153000       1.144000      147.0941      -70.4  
1 1 1 41 9  13 o 2.981000       1.189000      279.8680      87.3   
1 1 1 41 9  14 o 3.061000       1.178000      154.5132      149.3  
1 1 1 41 9  15 o 1.966000       1.174000      94.07823      -168.4 
1 1 1 41 9  16 o 1.746000       1.144000      71.74797      126.7  
1 1 1 41 9  17 o 2.775000       1.157000      212.8126      72.4   
1 1 1 41 9  18 o -0.4169000     1.205000      39.56768      -54.5  
1 1 1 41 9  19 o -1.600000      1.271000      51.55844      -143.4 
1 1 1 41 9  20 o 0.9375000      1.221000      62.79566      83.9   
1 1 1 41 9  21 o -0.6579000     1.261000      42.58799      31.4   
1 1 1 41 9  22 o -0.7589000E-01 1.517000      64.07651      -39.9  
1 1 1 41 9  23 o 2.720000       1.494000      ?             ?      
1 1 1 41 9  24 o 0.4624000      1.317000      ?             ?      
1 1 1 41 9  25 o -0.4031000     1.145000      ?             ?      
1 1 1 41 9  26 o -0.3023000     1.167000      ?             ?      
1 1 1 41 9  27 o 1.565000       1.019000      ?             ?      
1 1 1 41 9  28 o 0.2604000      1.012000      ?             ?      
1 1 1 41 9  29 o 2.637000       1.206000      ?             ?      
1 1 1 41 9  30 o 1.158000       1.166000      ?             ?      
1 1 1 41 9  31 o 1.896000       0.9982000     ?             ?      
1 1 1 41 9  32 o -1.689000      0.9987000     ?             ?      
1 1 1 41 9  33 o 1.168000       1.014000      ?             ?      
1 1 1 41 9  34 o 0.6333000      0.9993000     ?             ?      
1 1 1 41 9  35 o 0.2183000      0.9763000     ?             ?      
1 1 1 41 9  36 o -0.6540000E-02 0.9171000     ?             ?      
1 1 1 41 9  37 o -0.9788000     0.9099000     ?             ?      
1 1 1 41 9  38 o 0.6708000      0.9172000     ?             ?      
1 1 1 41 9  39 o 1.111000       0.9461000     ?             ?      
1 1 1 41 9  40 o 0.8302000      0.9448000     ?             ?      
1 1 1 41 9  41 o -0.6464000     0.9491000     ?             ?      
1 1 1 41 9  42 o -0.4907000     0.9647000     ?             ?      
1 1 1 41 9  43 o 0.9258000      0.9740000     ?             ?      
1 1 1 41 9  44 o -0.2018000     0.9915000     ?             ?      
1 1 1 41 9  45 o 0.5445000      1.130000      ?             ?      
1 1 1 41 9  46 o 0.1258000      1.166000      ?             ?      
1 1 1 41 9  47 o -0.2646000     1.142000      ?             ?      
1 1 1 41 9  48 o 1.493000       1.161000      ?             ?      
1 1 1 41 9  49 o -0.8104000     1.093000      ?             ?      
1 1 1 41 9  50 o 0.7697000      1.058000      ?             ?      
1 1 1 41 9  51 o 2.407000       1.366000      ?             ?      
1 1 1 41 10 0  o 1.237000       1.281000      174.6381      -90.0  
1 1 1 41 10 1  o 3.480000       0.9181000     267.0284      138.6  
1 1 1 41 10 2  o 2.301000       0.9205000     285.6843      -57.6  
1 1 1 41 10 3  o 2.229000       0.9316000     203.3920      138.9  
1 1 1 41 10 4  o -0.3681000     0.9231000     56.93537      6.4    
1 1 1 41 10 5  o -0.1848000     0.9350000     36.58408      -8.9   
1 1 1 41 10 6  o 1.256000       0.9873000     86.57246      -47.8  
1 1 1 41 10 7  o -0.3657000     0.9743000     93.07359      -152.1 
1 1 1 41 10 8  o 0.2879000      0.9794000     89.88640      -53.4  
1 1 1 41 10 9  o 2.343000       1.104000      124.3754      62.7   
1 1 1 41 10 10 o 2.244000       1.104000      75.65208      -69.4  
1 1 1 41 10 11 o 0.6104000      1.098000      77.36771      167.4  
1 1 1 41 10 12 o 1.087000       1.152000      116.0411      -169.0 
1 1 1 41 10 13 o 1.694000       1.141000      66.32667      -100.8 
1 1 1 41 10 14 o 1.287000       1.168000      94.76152      -127.7 
1 1 1 41 10 15 o 4.700000       1.186000      209.6063      163.4  
1 1 1 41 10 16 o -0.9607000     1.136000      40.45958      -28.8  
1 1 1 41 10 17 o 1.084000       1.148000      106.0327      -116.1 
1 1 1 41 10 18 o -1.253000      1.209000      68.31453      -91.0  
1 1 1 41 10 19 o -0.1633000     1.263000      124.9523      -107.3 
1 1 1 41 10 20 o 1.229000       1.457000      96.35390      -40.5  
1 1 1 41 10 21 o 2.099000       1.533000      51.93445      126.1  
1 1 1 41 10 22 o 4.115000       1.494000      30.42593      176.5  
1 1 1 41 10 23 o 1.802000       1.327000      ?             ?      
1 1 1 41 10 24 o 1.762000       1.367000      ?             ?      
1 1 1 41 10 25 o -1.390000      1.178000      ?             ?      
1 1 1 41 10 26 o 0.4837000      1.124000      ?             ?      
1 1 1 41 10 27 o -0.5494000     1.148000      ?             ?      
1 1 1 41 10 28 o 0.5379000      1.018000      ?             ?      
1 1 1 41 10 29 o -0.1109000     1.003000      ?             ?      
1 1 1 41 10 30 o 1.538000       1.045000      ?             ?      
1 1 1 41 10 31 o 0.4389000      0.9781000     ?             ?      
1 1 1 41 10 32 o 0.2112000      0.9678000     ?             ?      
1 1 1 41 10 33 o 0.1713000      1.047000      ?             ?      
1 1 1 41 10 34 o -0.4221000     1.003000      ?             ?      
1 1 1 41 10 35 o 0.6262000E-01  1.001000      ?             ?      
1 1 1 41 10 36 o 0.3036000      0.9559000     ?             ?      
1 1 1 41 10 37 o 0.4135000      0.9103000     ?             ?      
1 1 1 41 10 38 o -0.4905000     0.9329000     ?             ?      
1 1 1 41 10 39 o -1.193000      0.9364000     ?             ?      
1 1 1 41 10 40 o -1.252000      0.9478000     ?             ?      
1 1 1 41 10 41 o 0.1026000      0.9554000     ?             ?      
1 1 1 41 10 42 o -1.158000      0.9556000     ?             ?      
1 1 1 41 10 43 o 0.1837000      0.9827000     ?             ?      
1 1 1 41 10 44 o 0.5537000      1.005000      ?             ?      
1 1 1 41 10 45 o -0.9377000     1.117000      ?             ?      
1 1 1 41 10 46 o -0.7370000E-01 1.176000      ?             ?      
1 1 1 41 10 47 o -0.2252000E-01 1.136000      ?             ?      
1 1 1 41 10 48 o -0.2354000     1.126000      ?             ?      
1 1 1 41 10 49 o 0.8372000      1.101000      ?             ?      
1 1 1 41 10 50 o 1.117000       1.071000      ?             ?      
1 1 1 41 10 51 o 1.876000       2.178000      ?             ?      
1 1 1 41 11 0  o 0.8967000      1.254000      36.45927      -90.0  
1 1 1 41 11 1  o 1.112000       0.8970000     152.3511      86.7   
1 1 1 41 11 2  o 0.6885000      0.9107000     59.22197      -47.9  
1 1 1 41 11 3  o 3.315000       0.9546000     251.0714      9.3    
1 1 1 41 11 4  o 3.213000       0.9776000     231.1132      144.3  
1 1 1 41 11 5  o 0.4354000      0.9746000     56.82216      18.5   
1 1 1 41 11 6  o -0.1036000     0.9521000     47.97319      -36.2  
1 1 1 41 11 7  o 0.3278000      0.9486000     46.51458      -32.7  
1 1 1 41 11 8  o 0.6636000      1.058000      58.65508      -118.9 
1 1 1 41 11 9  o 7.335000       1.153000      298.4920      53.5   
1 1 1 41 11 10 o 2.436000       1.102000      125.0188      -115.7 
1 1 1 41 11 11 o 0.9388000      1.063000      113.0053      -45.8  
1 1 1 41 11 12 o 0.6919000E-01  1.121000      53.54176      -97.1  
1 1 1 41 11 13 o 0.4887000E-01  1.133000      37.56470      111.8  
1 1 1 41 11 14 o 3.890000       1.166000      176.9574      -110.6 
1 1 1 41 11 15 o 0.9854000      1.166000      163.8335      58.6   
1 1 1 41 11 16 o 2.691000       1.162000      74.88210      64.8   
1 1 1 41 11 17 o 0.8028000      1.221000      136.0333      43.3   
1 1 1 41 11 18 o 0.8061000      1.257000      62.28474      20.8   
1 1 1 41 11 19 o 2.620000       1.414000      40.24776      133.1  
1 1 1 41 11 20 o 0.2578000      1.454000      125.6945      -21.6  
1 1 1 41 11 21 o 0.4144000      1.660000      105.5072      69.1   
1 1 1 41 11 22 o -0.8066000E-01 1.324000      ?             ?      
1 1 1 41 11 23 o -0.2147000     1.361000      ?             ?      
1 1 1 41 11 24 o -1.413000      1.146000      ?             ?      
1 1 1 41 11 25 o -1.577000      1.120000      ?             ?      
1 1 1 41 11 26 o 0.5350000      1.119000      ?             ?      
1 1 1 41 11 27 o 1.756000       1.154000      ?             ?      
1 1 1 41 11 28 o 0.2752000      1.013000      ?             ?      
1 1 1 41 11 29 o 1.949000       1.021000      ?             ?      
1 1 1 41 11 30 o 1.130000       1.004000      ?             ?      
1 1 1 41 11 31 o 1.471000       0.9605000     ?             ?      
1 1 1 41 11 32 o -0.2670000     0.9444000     ?             ?      
1 1 1 41 11 33 o 0.1131000      0.9886000     ?             ?      
1 1 1 41 11 34 o 0.4881000      1.007000      ?             ?      
1 1 1 41 11 35 o -0.7844000     1.001000      ?             ?      
1 1 1 41 11 36 o -0.4843000     0.9626000     ?             ?      
1 1 1 41 11 37 o 0.5248000      0.9078000     ?             ?      
1 1 1 41 11 38 o 0.2960000      0.9309000     ?             ?      
1 1 1 41 11 39 o 0.4974000      0.9385000     ?             ?      
1 1 1 41 11 40 o 1.268000       0.9605000     ?             ?      
1 1 1 41 11 41 o 1.289000       0.9639000     ?             ?      
1 1 1 41 11 42 o -1.181000      0.9576000     ?             ?      
1 1 1 41 11 43 o 1.103000       0.9796000     ?             ?      
1 1 1 41 11 44 o 0.3333000      1.101000      ?             ?      
1 1 1 41 11 45 o 0.6974000      1.131000      ?             ?      
1 1 1 41 11 46 o -0.8176000     1.108000      ?             ?      
1 1 1 41 11 47 o -1.002000      1.111000      ?             ?      
1 1 1 41 11 48 o 1.264000       1.077000      ?             ?      
1 1 1 41 11 49 o 0.2154000      1.051000      ?             ?      
1 1 1 41 11 50 o 1.028000       1.056000      ?             ?      
1 1 1 41 12 0  o 0.8518000      1.253000      52.84280      -90.0  
1 1 1 41 12 1  o 0.1816000      0.9143000     59.42772      163.4  
1 1 1 41 12 2  o 1.058000       0.9432000     56.40812      -174.6 
1 1 1 41 12 3  o -0.3107000     0.9419000     25.10112      45.5   
1 1 1 41 12 4  o 1.615000       0.9508000     135.5573      72.5   
1 1 1 41 12 5  o 1.865000       1.044000      128.1790      -105.2 
1 1 1 41 12 6  o 2.938000       1.127000      163.6989      -54.4  
1 1 1 41 12 7  o 1.120000       0.9971000     146.8526      138.4  
1 1 1 41 12 8  o -0.4270000E-01 1.070000      97.15097      172.7  
1 1 1 41 12 9  o 3.380000       1.086000      152.9852      3.6    
1 1 1 41 12 10 o 0.4090000      1.071000      198.2603      146.6  
1 1 1 41 12 11 o 2.519000       1.071000      18.29713      -12.5  
1 1 1 41 12 12 o -0.3155000     1.055000      34.04836      130.4  
1 1 1 41 12 13 o 1.882000       1.138000      144.5834      -98.7  
1 1 1 41 12 14 o 1.270000       1.146000      94.46706      150.5  
1 1 1 41 12 15 o -0.8690000     1.154000      113.4475      129.7  
1 1 1 41 12 16 o 1.691000       1.234000      111.6694      -173.6 
1 1 1 41 12 17 o 1.122000       1.231000      99.10487      -133.2 
1 1 1 41 12 18 o 0.9351000      1.455000      88.54030      175.7  
1 1 1 41 12 19 o -0.8175000     1.533000      27.04326      -32.3  
1 1 1 41 12 20 o -0.1556000E-01 1.413000      32.75034      16.1   
1 1 1 41 12 21 o 0.2498000      1.498000      ?             ?      
1 1 1 41 12 22 o -0.8256000     1.719000      ?             ?      
1 1 1 41 12 23 o 0.2062000      1.244000      ?             ?      
1 1 1 41 12 24 o 0.1044000      1.121000      ?             ?      
1 1 1 41 12 25 o -1.125000      1.114000      ?             ?      
1 1 1 41 12 26 f -0.8141000     1.099000      ?             ?      
1 1 1 41 12 27 o -0.6808000     1.139000      ?             ?      
1 1 1 41 12 28 o 0.3566000      1.009000      ?             ?      
1 1 1 41 12 29 o -0.3487000E-01 0.9974000     ?             ?      
1 1 1 41 12 30 o -0.4857000     0.9850000     ?             ?      
1 1 1 41 12 31 o -0.1576000     0.9525000     ?             ?      
1 1 1 41 12 32 o 0.5546000      0.9543000     ?             ?      
1 1 1 41 12 33 o -0.5243000     0.9491000     ?             ?      
1 1 1 41 12 34 o -1.196000      1.048000      ?             ?      
1 1 1 41 12 35 o 0.6987000      0.9986000     ?             ?      
1 1 1 41 12 36 o 0.9609000      0.9969000     ?             ?      
1 1 1 41 12 37 o 0.2895000      0.9890000     ?             ?      
1 1 1 41 12 38 o -0.6179000     0.9342000     ?             ?      
1 1 1 41 12 39 o 2.196000       0.9421000     ?             ?      
1 1 1 41 12 40 o -0.5326000     0.9474000     ?             ?      
1 1 1 41 12 41 o 0.6216000      0.9575000     ?             ?      
1 1 1 41 12 42 o -0.6582000     0.9598000     ?             ?      
1 1 1 41 12 43 o -0.5305000     0.9655000     ?             ?      
1 1 1 41 12 44 o 1.795000       1.099000      ?             ?      
1 1 1 41 12 45 o 0.8052000      1.141000      ?             ?      
1 1 1 41 12 46 o 2.060000       1.151000      ?             ?      
1 1 1 41 12 47 o -0.1641000     1.111000      ?             ?      
1 1 1 41 12 48 o 2.238000       1.445000      ?             ?      
1 1 1 41 12 49 o 1.481000       1.048000      ?             ?      
1 1 1 41 12 50 o -0.4541000E-01 1.078000      ?             ?      
1 1 1 41 13 0  o 3.333000       1.358000      166.9352      -90.0  
1 1 1 41 13 1  o 1.836000       0.9551000     141.6381      -75.5  
1 1 1 41 13 2  o -0.7663000     1.009000      65.09641      -26.3  
1 1 1 41 13 3  o -1.959000      1.034000      77.78247      86.8   
1 1 1 41 13 4  o 1.009000       1.003000      112.4747      142.2  
1 1 1 41 13 5  o 1.560000       0.9795000     165.0695      29.9   
1 1 1 41 13 6  o -0.4413000     0.9696000     146.0233      -8.8   
1 1 1 41 13 7  o -0.5714000     0.9736000     46.59894      -42.0  
1 1 1 41 13 8  o 1.734000       1.052000      152.3558      -71.4  
1 1 1 41 13 9  o 0.3160000      1.048000      65.10553      -59.9  
1 1 1 41 13 10 o -0.3495000     1.061000      133.0765      -134.1 
1 1 1 41 13 11 o -0.8525000     1.070000      71.67023      -145.9 
1 1 1 41 13 12 o -0.7528000E-01 1.071000      71.82235      -28.2  
1 1 1 41 13 13 o -1.457000      1.142000      47.79654      -137.3 
1 1 1 41 13 14 o 1.361000       1.158000      106.8028      -97.3  
1 1 1 41 13 15 o 1.546000       1.278000      104.5900      84.3   
1 1 1 41 13 16 o 1.089000       1.271000      105.8377      -159.2 
1 1 1 41 13 17 o 1.941000       1.332000      100.2524      -38.5  
1 1 1 41 13 18 o 0.7340000      1.432000      33.24485      48.1   
1 1 1 41 13 19 o 0.1987000      2.146000      39.85823      -148.3 
1 1 1 41 13 20 o -2.429000      2.487000      ?             ?      
1 1 1 41 13 21 o -1.592000      1.306000      ?             ?      
1 1 1 41 13 22 o 0.7581000      1.300000      ?             ?      
1 1 1 41 13 23 o 0.6044000      1.355000      ?             ?      
1 1 1 41 13 24 o 0.7237000      1.110000      ?             ?      
1 1 1 41 13 25 o -0.2759000     1.095000      ?             ?      
1 1 1 41 13 26 o -0.8232000     1.096000      ?             ?      
1 1 1 41 13 27 o -1.560000      1.126000      ?             ?      
1 1 1 41 13 28 o 0.9640000      1.009000      ?             ?      
1 1 1 41 13 29 o 0.8980000      1.001000      ?             ?      
1 1 1 41 13 30 o 0.4014000      0.9866000     ?             ?      
1 1 1 41 13 31 o 0.9592000      0.9284000     ?             ?      
1 1 1 41 13 32 o 0.9128000E-01  0.9573000     ?             ?      
1 1 1 41 13 33 o -1.380000      0.9585000     ?             ?      
1 1 1 41 13 34 o 1.300000       1.009000      ?             ?      
1 1 1 41 13 35 o 0.9928000      1.006000      ?             ?      
1 1 1 41 13 36 o -0.8297000E-01 0.9928000     ?             ?      
1 1 1 41 13 37 o -0.7936000E-01 0.9947000     ?             ?      
1 1 1 41 13 38 o 0.6687000      0.9366000     ?             ?      
1 1 1 41 13 39 o 0.9267000      0.9302000     ?             ?      
1 1 1 41 13 40 o 0.9286000E-02  0.9419000     ?             ?      
1 1 1 41 13 41 o -1.834000      1.373000      ?             ?      
1 1 1 41 13 42 o 1.415000       0.9790000     ?             ?      
1 1 1 41 13 43 o 0.6748000      0.9990000     ?             ?      
1 1 1 41 13 44 o -0.2833000     1.118000      ?             ?      
1 1 1 41 13 45 o 1.077000       1.172000      ?             ?      
1 1 1 41 13 46 o 0.5437000      1.082000      ?             ?      
1 1 1 41 13 47 f -0.3903000     1.068000      ?             ?      
1 1 1 41 13 48 o 0.4239000      1.025000      ?             ?      
1 1 1 41 13 49 o -0.8199000     1.453000      ?             ?      
1 1 1 41 13 50 o -0.4304000     1.315000      ?             ?      
1 1 1 41 14 0  o 3.210000       1.484000      55.16233      90.0   
1 1 1 41 14 1  o 0.1696000      1.139000      203.3363      42.0   
1 1 1 41 14 2  o 0.2297000      0.9991000     82.63286      122.9  
1 1 1 41 14 3  o -1.656000      0.9670000     35.59906      140.6  
1 1 1 41 14 4  o 0.7225000      0.9750000     119.0667      141.2  
1 1 1 41 14 5  o 1.073000       0.9569000     37.45900      1.8    
1 1 1 41 14 6  o 1.091000       0.9534000     71.94454      82.0   
1 1 1 41 14 7  o 0.7541000      0.9982000     131.5260      74.7   
1 1 1 41 14 8  o 0.9018000      1.052000      185.0195      -72.0  
1 1 1 41 14 9  o -0.5949000     1.048000      87.02307      2.4    
1 1 1 41 14 10 o 0.5604000      1.069000      74.16038      100.3  
1 1 1 41 14 11 o -0.8840000     1.064000      55.78476      148.5  
1 1 1 41 14 12 o 0.2956000      1.075000      79.91538      2.8    
1 1 1 41 14 13 o 0.3851000      1.174000      125.1106      -11.7  
1 1 1 41 14 14 o -0.4888000     1.235000      50.38876      57.2   
1 1 1 41 14 15 o 1.124000       1.282000      136.1027      -128.7 
1 1 1 41 14 16 o -0.4825000     1.281000      72.02278      -163.0 
1 1 1 41 14 17 o 0.3886000      1.911000      87.97319      -177.5 
1 1 1 41 14 18 o -1.445000      2.028000      129.8337      55.2   
1 1 1 41 14 19 o -0.3151000     1.314000      34.40580      28.3   
1 1 1 41 14 20 o 0.1787000      1.364000      ?             ?      
1 1 1 41 14 21 o -2.588000      1.271000      ?             ?      
1 1 1 41 14 22 o -0.3471000     1.290000      ?             ?      
1 1 1 41 14 23 o -0.9754000     1.344000      ?             ?      
1 1 1 41 14 24 o 0.7194000      1.151000      ?             ?      
1 1 1 41 14 25 o -1.226000      1.092000      ?             ?      
1 1 1 41 14 26 o 2.700000       1.093000      ?             ?      
1 1 1 41 14 27 o -0.2622000     1.121000      ?             ?      
1 1 1 41 14 28 o 1.253000       0.9951000     ?             ?      
1 1 1 41 14 29 o -0.4943000     0.9835000     ?             ?      
1 1 1 41 14 30 o 0.1294000      0.9853000     ?             ?      
1 1 1 41 14 31 o 1.866000       0.9338000     ?             ?      
1 1 1 41 14 32 o 0.3666000      0.9504000     ?             ?      
1 1 1 41 14 33 o 0.6298000      0.9571000     ?             ?      
1 1 1 41 14 34 o 0.8900000      0.9602000     ?             ?      
1 1 1 41 14 35 o -0.6513000     1.044000      ?             ?      
1 1 1 41 14 36 o 0.4119000      1.036000      ?             ?      
1 1 1 41 14 37 o -0.7252000E-01 1.060000      ?             ?      
1 1 1 41 14 38 o -0.2911000     1.024000      ?             ?      
1 1 1 41 14 39 o 0.8452000      0.9524000     ?             ?      
1 1 1 41 14 40 o 1.116000       0.9558000     ?             ?      
1 1 1 41 14 41 o -0.2015000     0.9642000     ?             ?      
1 1 1 41 14 42 o -1.401000      0.9669000     ?             ?      
1 1 1 41 14 43 o 0.4888000      1.105000      ?             ?      
1 1 1 41 14 44 o -0.8372000     1.141000      ?             ?      
1 1 1 41 14 45 o -0.5574000E-02 1.111000      ?             ?      
1 1 1 41 14 46 o 0.9517000      1.079000      ?             ?      
1 1 1 41 14 47 o -1.460000      1.011000      ?             ?      
1 1 1 41 14 48 o -0.5668000     1.433000      ?             ?      
1 1 1 41 14 49 o -0.5172000E-01 1.068000      ?             ?      
1 1 1 41 15 0  o -2.872000      1.350000      15.99793      -90.0  
1 1 1 41 15 1  o 0.8368000      1.020000      119.1824      -141.7 
1 1 1 41 15 2  o -0.1276000     1.120000      1.772965      48.5   
1 1 1 41 15 3  o -1.410000      1.001000      101.8110      -76.1  
1 1 1 41 15 4  o -0.5999000     0.9455000     103.5612      -161.2 
1 1 1 41 15 5  o 0.5861000      0.9444000     113.4774      73.7   
1 1 1 41 15 6  o -2.415000      0.9806000     51.09523      -2.0   
1 1 1 41 15 7  o 2.094000       1.089000      122.2181      -36.3  
1 1 1 41 15 8  o -0.8511000E-01 1.037000      30.14838      -96.8  
1 1 1 41 15 9  o -0.2715000E-01 1.051000      107.0046      115.9  
1 1 1 41 15 10 o 1.409000       1.105000      156.3048      -162.7 
1 1 1 41 15 11 o 2.305000       1.101000      85.35836      99.7   
1 1 1 41 15 12 o -0.7004000     1.104000      78.87675      -80.0  
1 1 1 41 15 13 o 1.452000       1.096000      123.5208      140.2  
1 1 1 41 15 14 o -1.333000      1.393000      56.94810      -64.4  
1 1 1 41 15 15 o -0.8924000E-02 1.433000      71.16452      133.5  
1 1 1 41 15 16 o -0.4325000     1.479000      124.5512      -104.5 
1 1 1 41 15 17 o 1.486000       1.307000      131.4197      100.5  
1 1 1 41 15 18 o 0.8006000      1.388000      63.49810      164.9  
1 1 1 41 15 19 o 0.6355000      1.338000      ?             ?      
1 1 1 41 15 20 o -1.140000      1.277000      ?             ?      
1 1 1 41 15 21 o 0.6597000      1.270000      ?             ?      
1 1 1 41 15 22 o 2.609000       1.297000      ?             ?      
1 1 1 41 15 23 o 1.314000       1.374000      ?             ?      
1 1 1 41 15 24 o -0.8454000     1.341000      ?             ?      
1 1 1 41 15 25 o -2.043000      1.090000      ?             ?      
1 1 1 41 15 26 o 0.3826000      1.076000      ?             ?      
1 1 1 41 15 27 o -1.929000      1.124000      ?             ?      
1 1 1 41 15 28 o -1.445000      0.9936000     ?             ?      
1 1 1 41 15 29 o -0.4095000E-01 0.9856000     ?             ?      
1 1 1 41 15 30 o -0.5440000     0.9695000     ?             ?      
1 1 1 41 15 31 o -2.037000      0.9632000     ?             ?      
1 1 1 41 15 32 o 0.2720000      0.9187000     ?             ?      
1 1 1 41 15 33 o 0.7076000      0.9585000     ?             ?      
1 1 1 41 15 34 o 0.4966000      0.9680000     ?             ?      
1 1 1 41 15 35 o 0.3942000      1.009000      ?             ?      
1 1 1 41 15 36 o 1.292000       1.070000      ?             ?      
1 1 1 41 15 37 o 1.575000       1.077000      ?             ?      
1 1 1 41 15 38 o 0.6545000      1.033000      ?             ?      
1 1 1 41 15 39 o -0.9484000     0.9659000     ?             ?      
1 1 1 41 15 40 o 1.149000       0.9728000     ?             ?      
1 1 1 41 15 41 o 0.7501000      0.9604000     ?             ?      
1 1 1 41 15 42 o 0.8941000      0.9669000     ?             ?      
1 1 1 41 15 43 o -1.072000      1.110000      ?             ?      
1 1 1 41 15 44 o -0.1999000E-01 1.495000      ?             ?      
1 1 1 41 15 45 o -1.577000      1.089000      ?             ?      
1 1 1 41 15 46 o 0.5281000      1.091000      ?             ?      
1 1 1 41 15 47 o -0.4435000     1.004000      ?             ?      
1 1 1 41 15 48 o 2.330000       1.027000      ?             ?      
1 1 1 41 15 49 o -0.4701000E-01 1.066000      ?             ?      
1 1 1 41 16 0  o 1.781000       1.374000      99.02441      90.0   
1 1 1 41 16 1  f 0.5982000      0.9689000     165.2112      57.0   
1 1 1 41 16 2  o 0.5555000      0.9408000     45.70646      -15.9  
1 1 1 41 16 3  o 0.3229000      0.9464000     64.61791      -72.8  
1 1 1 41 16 4  o -0.5762000     1.187000      28.04669      -48.6  
1 1 1 41 16 5  o 1.022000       1.145000      83.74760      66.5   
1 1 1 41 16 6  o 1.640000       1.031000      70.79812      146.3  
1 1 1 41 16 7  o -0.5397000     1.056000      66.67507      -156.1 
1 1 1 41 16 8  o -0.5995000     1.075000      42.70888      -140.8 
1 1 1 41 16 9  o -0.2909000     1.116000      16.47948      12.1   
1 1 1 41 16 10 o -0.1213000     1.095000      34.37030      151.0  
1 1 1 41 16 11 o 0.5354000      1.071000      98.67760      -84.1  
1 1 1 41 16 12 o -1.269000      1.128000      75.02837      34.4   
1 1 1 41 16 13 o 0.2896000      1.146000      107.0358      -6.0   
1 1 1 41 16 14 o -0.1570000     1.253000      71.17887      168.8  
1 1 1 41 16 15 o 0.6233000      1.486000      93.37637      -117.8 
1 1 1 41 16 16 o 0.6112000E-02  1.489000      39.85089      -69.1  
1 1 1 41 16 17 o -0.6902000     1.576000      ?             ?      
1 1 1 41 16 18 o -0.9273000     1.330000      ?             ?      
1 1 1 41 16 19 o -1.286000      1.362000      ?             ?      
1 1 1 41 16 20 o 0.1616000      1.276000      ?             ?      
1 1 1 41 16 21 o -1.653000      1.256000      ?             ?      
1 1 1 41 16 22 o 1.786000       1.286000      ?             ?      
1 1 1 41 16 23 o 0.4562000      1.347000      ?             ?      
1 1 1 41 16 24 o -0.1652000     1.331000      ?             ?      
1 1 1 41 16 25 o -1.644000      1.343000      ?             ?      
1 1 1 41 16 26 o -0.5894000     1.099000      ?             ?      
1 1 1 41 16 27 o -0.3378000     1.120000      ?             ?      
1 1 1 41 16 28 o 0.9413000      0.9989000     ?             ?      
1 1 1 41 16 29 o -2.200000      0.9971000     ?             ?      
1 1 1 41 16 30 o -2.022000      0.9862000     ?             ?      
1 1 1 41 16 31 o -0.1004000     0.9782000     ?             ?      
1 1 1 41 16 32 o 0.8831000      0.9299000     ?             ?      
1 1 1 41 16 33 o -0.2037000     0.9494000     ?             ?      
1 1 1 41 16 34 o -1.082000      0.9506000     ?             ?      
1 1 1 41 16 35 o 1.239000       0.9898000     ?             ?      
1 1 1 41 16 36 o -0.4698000     1.049000      ?             ?      
1 1 1 41 16 37 o 2.107000       1.091000      ?             ?      
1 1 1 41 16 38 o 1.562000       1.075000      ?             ?      
1 1 1 41 16 39 o 0.1065000      1.048000      ?             ?      
1 1 1 41 16 40 o 0.1246000E-01  0.9826000     ?             ?      
1 1 1 41 16 41 o 1.705000       0.9835000     ?             ?      
1 1 1 41 16 42 o -0.7754000     1.107000      ?             ?      
1 1 1 41 16 43 o 0.2438000      1.123000      ?             ?      
1 1 1 41 16 44 o 0.9417000      1.148000      ?             ?      
1 1 1 41 16 45 o 0.1555000      1.100000      ?             ?      
1 1 1 41 16 46 o -1.185000      1.024000      ?             ?      
1 1 1 41 16 47 o 0.7385000      1.043000      ?             ?      
1 1 1 41 16 48 o 0.1899000E-01  1.019000      ?             ?      
1 1 1 41 16 49 o -5.931000      2.519000      ?             ?      
1 1 1 41 17 0  o -0.3108000     1.365000      125.6515      90.0   
1 1 1 41 17 1  o 0.5420000      0.9729000     98.68024      -101.6 
1 1 1 41 17 2  o -0.3913000     0.9456000     69.90197      -49.0  
1 1 1 41 17 3  o 0.7299000      0.9501000     66.90263      -31.4  
1 1 1 41 17 4  o -0.7110000     0.9466000     44.83319      30.8   
1 1 1 41 17 5  o 0.6925000      1.005000      69.67625      100.4  
1 1 1 41 17 6  o -0.3681000     1.201000      141.4309      -100.6 
1 1 1 41 17 7  o 0.3264000      1.170000      100.6450      -99.2  
1 1 1 41 17 8  f 1.396000       1.135000      62.91648      177.2  
1 1 1 41 17 9  o 1.772000       1.095000      92.70127      122.8  
1 1 1 41 17 10 o -1.140000      1.094000      15.84702      31.0   
1 1 1 41 17 11 o 0.7930000      1.091000      81.44285      106.1  
1 1 1 41 17 12 o 0.8163000      1.170000      49.50554      104.9  
1 1 1 41 17 13 o 0.1694000      1.138000      105.8362      138.1  
1 1 1 41 17 14 o -0.2792000     1.478000      78.37064      21.3   
1 1 1 41 17 15 o -0.4523000     1.464000      28.85572      131.1  
1 1 1 41 17 16 o 4.367000       1.562000      ?             ?      
1 1 1 41 17 17 o 0.7126000      1.343000      ?             ?      
1 1 1 41 17 18 o 0.2103000      1.218000      ?             ?      
1 1 1 41 17 19 o 1.117000       1.352000      ?             ?      
1 1 1 41 17 20 o -0.5656000     1.236000      ?             ?      
1 1 1 41 17 21 o -0.3899000     1.242000      ?             ?      
1 1 1 41 17 22 o 0.4188000      1.125000      ?             ?      
1 1 1 41 17 23 o 1.571000       1.310000      ?             ?      
1 1 1 41 17 24 o 0.7151000      1.324000      ?             ?      
1 1 1 41 17 25 o 0.4634000      1.336000      ?             ?      
1 1 1 41 17 26 o -2.078000      1.333000      ?             ?      
1 1 1 41 17 27 o 0.8539000      1.094000      ?             ?      
1 1 1 41 17 28 o 0.5101000      1.008000      ?             ?      
1 1 1 41 17 29 o -1.136000      0.9973000     ?             ?      
1 1 1 41 17 30 o 0.1461000      0.9943000     ?             ?      
1 1 1 41 17 31 o -1.478000      0.9798000     ?             ?      
1 1 1 41 17 32 o -2.200000      0.9215000     ?             ?      
1 1 1 41 17 33 o -0.7123000     0.9287000     ?             ?      
1 1 1 41 17 34 o 0.4917000      0.9654000     ?             ?      
1 1 1 41 17 35 o 0.1426000E-01  0.9914000     ?             ?      
1 1 1 41 17 36 o -0.9148000     1.003000      ?             ?      
1 1 1 41 17 37 o 1.093000       1.082000      ?             ?      
1 1 1 41 17 38 o 1.112000       1.083000      ?             ?      
1 1 1 41 17 39 o 0.1895000E-01  1.071000      ?             ?      
1 1 1 41 17 40 o -0.7841000E-01 0.9846000     ?             ?      
1 1 1 41 17 41 o -0.8717000     0.9825000     ?             ?      
1 1 1 41 17 42 o 0.5986000      1.126000      ?             ?      
1 1 1 41 17 43 o 0.5211000      1.134000      ?             ?      
1 1 1 41 17 44 o -0.6798000     1.077000      ?             ?      
1 1 1 41 17 45 o -0.8413000     1.097000      ?             ?      
1 1 1 41 17 46 o 0.9022000      1.020000      ?             ?      
1 1 1 41 17 47 o 0.1700000      1.043000      ?             ?      
1 1 1 41 17 48 o 1.356000       1.076000      ?             ?      
1 1 1 41 18 0  o -2.132000      1.375000      58.38446      90.0   
1 1 1 41 18 1  o 0.2295000      0.9717000     83.33379      36.8   
1 1 1 41 18 2  o 0.5667000      1.005000      38.94386      -26.5  
1 1 1 41 18 3  o 0.4848000      1.001000      51.65953      130.7  
1 1 1 41 18 4  o -1.076000      1.030000      44.51259      156.4  
1 1 1 41 18 5  o 1.637000       1.044000      49.47309      54.9   
1 1 1 41 18 6  o -1.111000      1.099000      75.50127      -72.6  
1 1 1 41 18 7  f -0.7112000E-01 1.080000      54.05785      6.6    
1 1 1 41 18 8  o 0.4806000      1.037000      46.52862      151.4  
1 1 1 41 18 9  o 0.4313000      1.025000      51.56626      -45.2  
1 1 1 41 18 10 o 0.5908000      1.161000      53.56091      -151.1 
1 1 1 41 18 11 o -0.7480000     1.318000      67.19427      -175.6 
1 1 1 41 18 12 o -2.498000      1.134000      38.43847      125.2  
1 1 1 41 18 13 o -0.8921000     1.190000      23.28571      132.2  
1 1 1 41 18 14 o -0.9075000     1.503000      ?             ?      
1 1 1 41 18 15 o -1.326000      1.491000      ?             ?      
1 1 1 41 18 16 o 0.2813000      1.351000      ?             ?      
1 1 1 41 18 17 o 1.240000       1.301000      ?             ?      
1 1 1 41 18 18 o -1.008000      1.340000      ?             ?      
1 1 1 41 18 19 o -1.234000      1.281000      ?             ?      
1 1 1 41 18 20 o -1.094000      1.249000      ?             ?      
1 1 1 41 18 21 o -0.9843000     1.245000      ?             ?      
1 1 1 41 18 22 o 0.4650000      1.110000      ?             ?      
1 1 1 41 18 23 o -1.648000      1.271000      ?             ?      
1 1 1 41 18 24 o -2.041000      1.275000      ?             ?      
1 1 1 41 18 25 o 0.6677000      1.299000      ?             ?      
1 1 1 41 18 26 o 0.3514000E-01  1.328000      ?             ?      
1 1 1 41 18 27 o -1.712000      1.308000      ?             ?      
1 1 1 41 18 28 o 0.5432000      0.9905000     ?             ?      
1 1 1 41 18 29 o -1.154000      0.9783000     ?             ?      
1 1 1 41 18 30 o -0.2487000     1.004000      ?             ?      
1 1 1 41 18 31 o -0.5210000     0.9924000     ?             ?      
1 1 1 41 18 32 o -0.1247000     0.9353000     ?             ?      
1 1 1 41 18 33 o -0.5957000     0.9327000     ?             ?      
1 1 1 41 18 34 o 1.896000       0.9716000     ?             ?      
1 1 1 41 18 35 o -2.272000      0.9877000     ?             ?      
1 1 1 41 18 36 o 0.3385000      0.9978000     ?             ?      
1 1 1 41 18 37 o -1.545000      1.043000      ?             ?      
1 1 1 41 18 38 o 0.2596000      1.080000      ?             ?      
1 1 1 41 18 39 o 1.385000       1.093000      ?             ?      
1 1 1 41 18 40 o -1.988000      1.068000      ?             ?      
1 1 1 41 18 41 o 0.5971000      1.036000      ?             ?      
1 1 1 41 18 42 o 0.4742000      1.123000      ?             ?      
1 1 1 41 18 43 o 0.3105000      1.268000      ?             ?      
1 1 1 41 18 44 o 0.1547000      1.090000      ?             ?      
1 1 1 41 18 45 o -1.260000      1.411000      ?             ?      
1 1 1 41 18 46 o -1.062000      1.015000      ?             ?      
1 1 1 41 18 47 o -0.8304000     1.046000      ?             ?      
1 1 1 41 18 48 o 2.033000       2.112000      ?             ?      
1 1 1 41 19 0  o 1.408000       1.490000      20.86804      90.0   
1 1 1 41 19 1  o -1.932000      1.090000      64.53616      -79.3  
1 1 1 41 19 2  o 0.1015000      1.064000      10.81551      -142.7 
1 1 1 41 19 3  o 0.1221000      0.9963000     9.911788      -32.3  
1 1 1 41 19 4  o -0.5599000     0.9786000     28.37427      -66.9  
1 1 1 41 19 5  o 2.195000       0.9851000     6.354422      -159.5 
1 1 1 41 19 6  o -0.6745000     1.026000      39.40631      -137.6 
1 1 1 41 19 7  o -0.6424000     1.021000      25.00561      -82.6  
1 1 1 41 19 8  o -1.411000      1.030000      90.52859      90.4   
1 1 1 41 19 9  o 0.2273000E-01  1.020000      23.18918      -139.9 
1 1 1 41 19 10 o -0.3369000     1.038000      17.22791      -130.8 
1 1 1 41 19 11 o 0.5473000      1.112000      12.01430      171.4  
1 1 1 41 19 12 o -2.288000      1.144000      41.59731      -150.7 
1 1 1 41 19 13 o -2.263000      1.636000      ?             ?      
1 1 1 41 19 14 o -0.1653000     1.650000      ?             ?      
1 1 1 41 19 15 o 0.6060000E-01  1.393000      ?             ?      
1 1 1 41 19 16 o -2.089000      1.289000      ?             ?      
1 1 1 41 19 17 o 0.1954000      1.170000      ?             ?      
1 1 1 41 19 18 o -0.3529000     1.336000      ?             ?      
1 1 1 41 19 19 o -1.970000      1.249000      ?             ?      
1 1 1 41 19 20 o -0.6302000     1.253000      ?             ?      
1 1 1 41 19 21 o 0.2940000      1.115000      ?             ?      
1 1 1 41 19 22 o -1.897000      1.085000      ?             ?      
1 1 1 41 19 23 f 1.140000       1.243000      ?             ?      
1 1 1 41 19 24 o -1.118000      1.248000      ?             ?      
1 1 1 41 19 25 o -0.6097000     1.260000      ?             ?      
1 1 1 41 19 26 o 1.068000       1.309000      ?             ?      
1 1 1 41 19 27 o -0.6289000     1.296000      ?             ?      
1 1 1 41 19 28 o 1.392000       1.101000      ?             ?      
1 1 1 41 19 29 o 0.1862000      0.9797000     ?             ?      
1 1 1 41 19 30 o 0.3934000      0.9867000     ?             ?      
1 1 1 41 19 31 o 0.2257000      0.9992000     ?             ?      
1 1 1 41 19 32 o -0.2936000     0.9563000     ?             ?      
1 1 1 41 19 33 o -1.101000      0.9365000     ?             ?      
1 1 1 41 19 34 o 0.5421000      0.9753000     ?             ?      
1 1 1 41 19 35 o -1.343000      0.9946000     ?             ?      
1 1 1 41 19 36 o 0.3789000      1.002000      ?             ?      
1 1 1 41 19 37 o -1.835000      1.007000      ?             ?      
1 1 1 41 19 38 o -1.738000      1.091000      ?             ?      
1 1 1 41 19 39 o -0.7813000     1.097000      ?             ?      
1 1 1 41 19 40 o 0.5429000      1.086000      ?             ?      
1 1 1 41 19 41 o -0.3659000     1.131000      ?             ?      
1 1 1 41 19 42 o 0.1460000      1.148000      ?             ?      
1 1 1 41 19 43 o -0.8276000     1.085000      ?             ?      
1 1 1 41 19 44 o -1.592000      1.107000      ?             ?      
1 1 1 41 19 45 o -1.322000      1.001000      ?             ?      
1 1 1 41 19 46 o 0.5670000      1.034000      ?             ?      
1 1 1 41 19 47 o -0.7548000     1.068000      ?             ?      
1 1 1 41 20 0  o -0.6368000     1.397000      1.187541      -90.0  
1 1 1 41 20 1  o 1.792000       1.077000      46.77407      -20.6  
1 1 1 41 20 2  o -0.8248000E-01 1.031000      24.13562      -145.4 
1 1 1 41 20 3  o -1.177000      1.035000      41.54216      121.1  
1 1 1 41 20 4  o -1.289000      0.9593000     30.11194      167.3  
1 1 1 41 20 5  o -0.4347000     1.065000      19.38322      7.2    
1 1 1 41 20 6  o 1.048000       1.027000      6.323458      68.1   
1 1 1 41 20 7  o -0.2263000     1.023000      15.06316      35.2   
1 1 1 41 20 8  o -0.7330000E-01 1.022000      36.36921      -11.6  
1 1 1 41 20 9  o -0.7026000E-02 1.024000      30.07098      -30.4  
1 1 1 41 20 10 o -1.690000      1.082000      ?             ?      
1 1 1 41 20 11 o -0.1387000     1.111000      ?             ?      
1 1 1 41 20 12 o -0.8108000     1.293000      ?             ?      
1 1 1 41 20 13 o -0.7076000     1.293000      ?             ?      
1 1 1 41 20 14 o 1.046000       1.323000      ?             ?      
1 1 1 41 20 15 o -0.7856000     1.302000      ?             ?      
1 1 1 41 20 16 o 0.9269000      1.402000      ?             ?      
1 1 1 41 20 17 o 0.1902000      1.351000      ?             ?      
1 1 1 41 20 18 o 1.767000       1.274000      ?             ?      
1 1 1 41 20 19 o -2.179000      1.304000      ?             ?      
1 1 1 41 20 20 o -1.817000      1.307000      ?             ?      
1 1 1 41 20 21 o -0.8327000E-01 1.104000      ?             ?      
1 1 1 41 20 22 o 0.5223000      1.095000      ?             ?      
1 1 1 41 20 23 o 0.6357000      1.246000      ?             ?      
1 1 1 41 20 24 o -0.4900000     1.246000      ?             ?      
1 1 1 41 20 25 o -0.7903000     1.244000      ?             ?      
1 1 1 41 20 26 o -2.243000      1.263000      ?             ?      
1 1 1 41 20 27 o 0.1342000E-01  1.265000      ?             ?      
1 1 1 41 20 28 o -2.661000      1.097000      ?             ?      
1 1 1 41 20 29 o -0.1207000     1.014000      ?             ?      
1 1 1 41 20 30 o -0.8339000     0.9805000     ?             ?      
1 1 1 41 20 31 o -1.200000      0.9849000     ?             ?      
1 1 1 41 20 32 o -0.4574000     0.9524000     ?             ?      
1 1 1 41 20 33 o -0.7705000     0.9414000     ?             ?      
1 1 1 41 20 34 o -2.129000      0.9635000     ?             ?      
1 1 1 41 20 35 o -0.7890000     1.005000      ?             ?      
1 1 1 41 20 36 o -0.4754000E-01 0.9975000     ?             ?      
1 1 1 41 20 37 o 0.3749000      1.013000      ?             ?      
1 1 1 41 20 38 o -2.748000      1.051000      ?             ?      
1 1 1 41 20 39 o 0.5129000      1.104000      ?             ?      
1 1 1 41 20 40 o -1.200000      1.165000      ?             ?      
1 1 1 41 20 41 o -1.466000      1.245000      ?             ?      
1 1 1 41 20 42 o 0.4501000      1.216000      ?             ?      
1 1 1 41 20 43 o -1.193000      1.110000      ?             ?      
1 1 1 41 20 44 o -0.3165000     1.021000      ?             ?      
1 1 1 41 20 45 o 0.7378000      1.021000      ?             ?      
1 1 1 41 20 46 o 0.9824000      1.030000      ?             ?      
1 1 1 41 20 47 o 3.280000       2.396000      ?             ?      
1 1 1 41 21 0  o -1.028000      1.402000      2.052634      90.0   
1 1 1 41 21 1  o -0.6782000     0.9724000     42.27373      -70.5  
1 1 1 41 21 2  o -0.8876000     0.9790000     13.10397      -107.4 
1 1 1 41 21 3  o -0.1075000     0.9779000     22.83695      -61.0  
1 1 1 41 21 4  o -1.331000      1.061000      21.26669      -139.2 
1 1 1 41 21 5  o -2.577000      1.352000      7.414227      99.2   
1 1 1 41 21 6  o -0.1908000     1.095000      16.66747      66.2   
1 1 1 41 21 7  o 0.7653000      1.019000      ?             ?      
1 1 1 41 21 8  o -0.7530000     1.015000      ?             ?      
1 1 1 41 21 9  o -0.6806000     1.082000      ?             ?      
1 1 1 41 21 10 o -0.6229000     1.103000      ?             ?      
1 1 1 41 21 11 o -0.9448000     1.263000      ?             ?      
1 1 1 41 21 12 o 1.762000       1.280000      ?             ?      
1 1 1 41 21 13 o -0.9624000     1.293000      ?             ?      
1 1 1 41 21 14 o -1.665000      1.198000      ?             ?      
1 1 1 41 21 15 o 0.5335000E-01  1.301000      ?             ?      
1 1 1 41 21 16 o -0.2955000     1.175000      ?             ?      
1 1 1 41 21 17 o 1.597000       1.318000      ?             ?      
1 1 1 41 21 18 o -1.915000      1.293000      ?             ?      
1 1 1 41 21 19 o -2.054000      1.318000      ?             ?      
1 1 1 41 21 20 o -1.029000      1.276000      ?             ?      
1 1 1 41 21 21 o -1.372000      1.113000      ?             ?      
1 1 1 41 21 22 o 0.5245000      1.157000      ?             ?      
1 1 1 41 21 23 o -1.140000      1.299000      ?             ?      
1 1 1 41 21 24 o -0.6021000     1.244000      ?             ?      
1 1 1 41 21 25 o 0.8957000      1.248000      ?             ?      
1 1 1 41 21 26 o 0.4791000      1.282000      ?             ?      
1 1 1 41 21 27 o -1.119000      1.261000      ?             ?      
1 1 1 41 21 28 o -0.3592000E-01 1.118000      ?             ?      
1 1 1 41 21 29 o 0.4336000      1.102000      ?             ?      
1 1 1 41 21 30 o 0.7128000      1.012000      ?             ?      
1 1 1 41 21 31 o -1.157000      0.9764000     ?             ?      
1 1 1 41 21 32 o -0.1146000     0.9432000     ?             ?      
1 1 1 41 21 33 o -1.233000      0.9761000     ?             ?      
1 1 1 41 21 34 o 1.019000       0.9714000     ?             ?      
1 1 1 41 21 35 o 0.7896000      0.9728000     ?             ?      
1 1 1 41 21 36 o 0.6914000      1.008000      ?             ?      
1 1 1 41 21 37 o 0.8111000      1.015000      ?             ?      
1 1 1 41 21 38 o 0.1852000      1.024000      ?             ?      
1 1 1 41 21 39 o -1.511000      1.128000      ?             ?      
1 1 1 41 21 40 o -0.4412000     1.288000      ?             ?      
1 1 1 41 21 41 o -1.302000      1.438000      ?             ?      
1 1 1 41 21 42 o -1.364000      1.098000      ?             ?      
1 1 1 41 21 43 o 0.7659000      1.065000      ?             ?      
1 1 1 41 21 44 o -0.8617000     1.015000      ?             ?      
1 1 1 41 21 45 o 0.1552000      1.035000      ?             ?      
1 1 1 41 21 46 o 0.8695000      1.073000      ?             ?      
1 1 1 41 22 0  o -1.160000      1.381000      ?             ?      
1 1 1 41 22 1  o -0.5923000     0.9664000     ?             ?      
1 1 1 41 22 2  o 0.4343000      1.053000      ?             ?      
1 1 1 41 22 3  o -0.2638000     0.9639000     ?             ?      
1 1 1 41 22 4  o -0.5616000     0.9788000     ?             ?      
1 1 1 41 22 5  o 0.1077000      1.086000      ?             ?      
1 1 1 41 22 6  o -1.154000      1.026000      ?             ?      
1 1 1 41 22 7  o -1.546000      1.153000      ?             ?      
1 1 1 41 22 8  o -1.124000      1.112000      ?             ?      
1 1 1 41 22 9  o -1.270000      1.094000      ?             ?      
1 1 1 41 22 10 o -0.2628000     1.270000      ?             ?      
1 1 1 41 22 11 o 1.098000       1.275000      ?             ?      
1 1 1 41 22 12 o -1.372000      1.278000      ?             ?      
1 1 1 41 22 13 o -0.3647000     1.179000      ?             ?      
1 1 1 41 22 14 o -0.2510000     1.173000      ?             ?      
1 1 1 41 22 15 o -1.624000      1.157000      ?             ?      
1 1 1 41 22 16 o 0.5444000      1.176000      ?             ?      
1 1 1 41 22 17 o -1.660000      1.325000      ?             ?      
1 1 1 41 22 18 o -2.207000      1.290000      ?             ?      
1 1 1 41 22 19 o -1.712000      1.292000      ?             ?      
1 1 1 41 22 20 o -1.170000      1.115000      ?             ?      
1 1 1 41 22 21 o -1.488000      1.121000      ?             ?      
1 1 1 41 22 22 o -0.4149000     1.561000      ?             ?      
1 1 1 41 22 23 o -1.110000      1.552000      ?             ?      
1 1 1 41 22 24 o -0.6135000     1.269000      ?             ?      
1 1 1 41 22 25 o 0.2238000      1.301000      ?             ?      
1 1 1 41 22 26 o 1.407000       1.370000      ?             ?      
1 1 1 41 22 27 o 0.1090000      1.308000      ?             ?      
1 1 1 41 22 28 o -0.8288000     1.120000      ?             ?      
1 1 1 41 22 29 o -0.4865000     1.114000      ?             ?      
1 1 1 41 22 30 o -0.2927000     1.105000      ?             ?      
1 1 1 41 22 31 o 0.8443000      1.005000      ?             ?      
1 1 1 41 22 32 o 0.2482000E-01  0.9789000     ?             ?      
1 1 1 41 22 33 o -0.1279000E-01 0.9642000     ?             ?      
1 1 1 41 22 34 o 0.6954000E-01  0.9764000     ?             ?      
1 1 1 41 22 35 o 0.1140000      0.9693000     ?             ?      
1 1 1 41 22 36 o 0.1002000      1.004000      ?             ?      
1 1 1 41 22 37 o 0.7391000      1.026000      ?             ?      
1 1 1 41 22 38 o 0.3123000      1.036000      ?             ?      
1 1 1 41 22 39 o -1.538000      1.134000      ?             ?      
1 1 1 41 22 40 o 0.7523000      1.345000      ?             ?      
1 1 1 41 22 41 o -0.4495000     1.387000      ?             ?      
1 1 1 41 22 42 o 1.852000       1.284000      ?             ?      
1 1 1 41 22 43 o 0.3755000      1.069000      ?             ?      
1 1 1 41 22 44 o 0.6005000      1.024000      ?             ?      
1 1 1 41 22 45 o -1.274000      1.068000      ?             ?      
1 1 1 41 22 46 o 1.137000       2.987000      ?             ?      
1 1 1 41 23 0  o 0.5956000      1.366000      ?             ?      
1 1 1 41 23 1  o -0.4415000     0.9567000     ?             ?      
1 1 1 41 23 2  o -0.7210000E-02 0.9605000     ?             ?      
1 1 1 41 23 3  o -0.1842000     0.9481000     ?             ?      
1 1 1 41 23 4  o -1.840000      1.090000      ?             ?      
1 1 1 41 23 5  o -0.4840000E-01 1.060000      ?             ?      
1 1 1 41 23 6  o 0.5285000      1.070000      ?             ?      
1 1 1 41 23 7  o -0.8125000E-01 1.118000      ?             ?      
1 1 1 41 23 8  o 0.7230000      1.131000      ?             ?      
1 1 1 41 23 9  o 0.1900000      1.290000      ?             ?      
1 1 1 41 23 10 o 1.039000       1.284000      ?             ?      
1 1 1 41 23 11 o 0.6772000      1.278000      ?             ?      
1 1 1 41 23 12 o 0.5153000      1.316000      ?             ?      
1 1 1 41 23 13 o -0.1372000     1.128000      ?             ?      
1 1 1 41 23 14 o -0.5235000     1.072000      ?             ?      
1 1 1 41 23 15 o -0.8309000     1.149000      ?             ?      
1 1 1 41 23 16 o -0.2743000     1.307000      ?             ?      
1 1 1 41 23 17 o -1.123000      1.298000      ?             ?      
1 1 1 41 23 18 o -1.553000      1.295000      ?             ?      
1 1 1 41 23 19 o -1.717000      1.313000      ?             ?      
1 1 1 41 23 20 o -0.7287000     1.130000      ?             ?      
1 1 1 41 23 21 o -1.468000      1.123000      ?             ?      
1 1 1 41 23 22 o -1.097000      1.253000      ?             ?      
1 1 1 41 23 23 o -2.053000      1.253000      ?             ?      
1 1 1 41 23 24 o 0.5551000      1.323000      ?             ?      
1 1 1 41 23 25 o -1.794000      1.562000      ?             ?      
1 1 1 41 23 26 o -3.012000      1.579000      ?             ?      
1 1 1 41 23 27 o -0.1210000     1.331000      ?             ?      
1 1 1 41 23 28 o 0.1009000      1.288000      ?             ?      
1 1 1 41 23 29 o -0.6359000     1.281000      ?             ?      
1 1 1 41 23 30 o -0.2959000E-01 1.118000      ?             ?      
1 1 1 41 23 31 o 1.740000       1.073000      ?             ?      
1 1 1 41 23 32 o -0.1775000     1.029000      ?             ?      
1 1 1 41 23 33 o -0.8124000     0.9820000     ?             ?      
1 1 1 41 23 34 o -0.6108000     0.9705000     ?             ?      
1 1 1 41 23 35 o -1.190000      0.9786000     ?             ?      
1 1 1 41 23 36 f 1.672000       0.9949000     ?             ?      
1 1 1 41 23 37 o 0.4015000      1.036000      ?             ?      
1 1 1 41 23 38 o 0.5624000      1.087000      ?             ?      
1 1 1 41 23 39 o -3.178000      1.239000      ?             ?      
1 1 1 41 23 40 o 0.9903000      1.701000      ?             ?      
1 1 1 41 23 41 o -0.9545000     1.278000      ?             ?      
1 1 1 41 23 42 o 0.1630000      1.240000      ?             ?      
1 1 1 41 23 43 o -2.910000      1.030000      ?             ?      
1 1 1 41 23 44 o 0.1260000      1.032000      ?             ?      
1 1 1 41 23 45 o 0.4758000      1.268000      ?             ?      
1 1 1 41 24 0  o -1.596000      1.344000      ?             ?      
1 1 1 41 24 1  o -0.6173000     0.9543000     ?             ?      
1 1 1 41 24 2  o 0.9178000E-01  0.9506000     ?             ?      
1 1 1 41 24 3  o 0.5566000      0.9516000     ?             ?      
1 1 1 41 24 4  o -0.7861000     1.077000      ?             ?      
1 1 1 41 24 5  o -1.136000      1.057000      ?             ?      
1 1 1 41 24 6  o 0.4364000      1.145000      ?             ?      
1 1 1 41 24 7  o 1.712000       1.099000      ?             ?      
1 1 1 41 24 8  o 0.9364000      1.291000      ?             ?      
1 1 1 41 24 9  o -0.8129000     1.295000      ?             ?      
1 1 1 41 24 10 o -0.7045000     1.286000      ?             ?      
1 1 1 41 24 11 o -0.1287000     1.181000      ?             ?      
1 1 1 41 24 12 o -0.1550000     1.137000      ?             ?      
1 1 1 41 24 13 o -1.977000      1.167000      ?             ?      
1 1 1 41 24 14 o 0.2969000      1.161000      ?             ?      
1 1 1 41 24 15 o -0.1699000     1.153000      ?             ?      
1 1 1 41 24 16 o 1.676000       1.340000      ?             ?      
1 1 1 41 24 17 o 0.3933000      1.299000      ?             ?      
1 1 1 41 24 18 o 0.3447000      1.318000      ?             ?      
1 1 1 41 24 19 o 0.2235000E-01  1.182000      ?             ?      
1 1 1 41 24 20 o -0.9007000     1.135000      ?             ?      
1 1 1 41 24 21 o -0.6294000     1.104000      ?             ?      
1 1 1 41 24 22 o -1.970000      1.236000      ?             ?      
1 1 1 41 24 23 o 0.9449000      1.251000      ?             ?      
1 1 1 41 24 24 o -1.978000      1.246000      ?             ?      
1 1 1 41 24 25 o -0.2626000     1.251000      ?             ?      
1 1 1 41 24 26 o -0.9892000     1.314000      ?             ?      
1 1 1 41 24 27 o 3.998000       1.636000      ?             ?      
1 1 1 41 24 28 o 0.7258000      1.277000      ?             ?      
1 1 1 41 24 29 o 0.5508000      1.147000      ?             ?      
1 1 1 41 24 30 o 0.5825000      1.287000      ?             ?      
1 1 1 41 24 31 o 0.7598000      1.133000      ?             ?      
1 1 1 41 24 32 o 1.455000       1.172000      ?             ?      
1 1 1 41 24 33 o -0.2209000     1.011000      ?             ?      
1 1 1 41 24 34 o 0.5486000      0.9745000     ?             ?      
1 1 1 41 24 35 o 0.5534000      0.9798000     ?             ?      
1 1 1 41 24 36 o -0.4871000     0.9955000     ?             ?      
1 1 1 41 24 37 o -0.4971000     1.042000      ?             ?      
1 1 1 41 24 38 o -0.4441000     1.093000      ?             ?      
1 1 1 41 24 39 o 0.2546000      1.402000      ?             ?      
1 1 1 41 24 40 o -0.9178000     1.614000      ?             ?      
1 1 1 41 24 41 o 1.253000       1.316000      ?             ?      
1 1 1 41 24 42 o -0.4363000E-01 1.318000      ?             ?      
1 1 1 41 24 43 o 1.514000       1.186000      ?             ?      
1 1 1 41 24 44 o 0.2071000      1.071000      ?             ?      
1 1 1 41 25 0  o -0.2545000     1.366000      ?             ?      
1 1 1 41 25 1  o -0.3613000     0.9692000     ?             ?      
1 1 1 41 25 2  o -0.7502000     0.9517000     ?             ?      
1 1 1 41 25 3  o -0.2799000     0.9670000     ?             ?      
1 1 1 41 25 4  o 0.2710000      1.074000      ?             ?      
1 1 1 41 25 5  o -1.152000      1.253000      ?             ?      
1 1 1 41 25 6  o 0.7760000      1.163000      ?             ?      
1 1 1 41 25 7  o 0.5067000      1.434000      ?             ?      
1 1 1 41 25 8  o -0.2805000     1.260000      ?             ?      
1 1 1 41 25 9  o 0.5114000E-01  1.263000      ?             ?      
1 1 1 41 25 10 o -0.5980000     1.175000      ?             ?      
1 1 1 41 25 11 o 0.2005000      1.154000      ?             ?      
1 1 1 41 25 12 o 0.8563000      1.042000      ?             ?      
1 1 1 41 25 13 o -0.2080000     1.087000      ?             ?      
1 1 1 41 25 14 o 1.178000       1.104000      ?             ?      
1 1 1 41 25 15 o 0.4376000      1.186000      ?             ?      
1 1 1 41 25 16 o 1.143000       1.672000      ?             ?      
1 1 1 41 25 17 f -1.004000      1.564000      ?             ?      
1 1 1 41 25 18 o 1.080000       1.354000      ?             ?      
1 1 1 41 25 19 o 0.6457000      1.131000      ?             ?      
1 1 1 41 25 20 o 0.9573000      1.229000      ?             ?      
1 1 1 41 25 21 o 0.8264000      1.243000      ?             ?      
1 1 1 41 25 22 o 0.8255000      1.247000      ?             ?      
1 1 1 41 25 23 o -1.109000      1.225000      ?             ?      
1 1 1 41 25 24 o 0.6174000      1.267000      ?             ?      
1 1 1 41 25 25 o -0.6866000     1.281000      ?             ?      
1 1 1 41 25 26 o 0.2923000E-01  1.283000      ?             ?      
1 1 1 41 25 27 o 0.4086000      1.299000      ?             ?      
1 1 1 41 25 28 o 0.4983000E-01  1.151000      ?             ?      
1 1 1 41 25 29 o 0.4907000      1.146000      ?             ?      
1 1 1 41 25 30 o -0.1166000     1.247000      ?             ?      
1 1 1 41 25 31 o 1.089000       1.196000      ?             ?      
1 1 1 41 25 32 o 0.6217000      1.165000      ?             ?      
1 1 1 41 25 33 o -0.8089000     1.164000      ?             ?      
1 1 1 41 25 34 o 0.8251000      1.118000      ?             ?      
1 1 1 41 25 35 o 0.9870000E-01  1.003000      ?             ?      
1 1 1 41 25 36 o -0.7957000     0.9944000     ?             ?      
1 1 1 41 25 37 o -1.665000      1.049000      ?             ?      
1 1 1 41 25 38 o -2.737000      1.112000      ?             ?      
1 1 1 41 25 39 o 1.211000       1.379000      ?             ?      
1 1 1 41 25 40 o 1.475000       1.442000      ?             ?      
1 1 1 41 25 41 o 1.014000       1.352000      ?             ?      
1 1 1 41 25 42 o -0.6337000     1.194000      ?             ?      
1 1 1 41 25 43 o 0.2054000      1.193000      ?             ?      
1 1 1 41 26 0  o 0.3122000      1.362000      ?             ?      
1 1 1 41 26 1  o 0.3984000E-01  1.039000      ?             ?      
1 1 1 41 26 2  o 0.3293000      0.9587000     ?             ?      
1 1 1 41 26 3  o -0.2139000     0.9664000     ?             ?      
1 1 1 41 26 4  o 0.3232000      1.126000      ?             ?      
1 1 1 41 26 5  o 0.9921000      1.153000      ?             ?      
1 1 1 41 26 6  o -1.282000      1.407000      ?             ?      
1 1 1 41 26 7  o 1.040000       1.423000      ?             ?      
1 1 1 41 26 8  o 0.4169000      1.435000      ?             ?      
1 1 1 41 26 9  o 0.2368000      1.280000      ?             ?      
1 1 1 41 26 10 o -1.359000      1.143000      ?             ?      
1 1 1 41 26 11 o -1.438000      1.027000      ?             ?      
1 1 1 41 26 12 o 0.7082000E-01  1.077000      ?             ?      
1 1 1 41 26 13 o -0.6794000E-02 1.059000      ?             ?      
1 1 1 41 26 14 o -1.148000      1.054000      ?             ?      
1 1 1 41 26 15 o -2.470000      1.181000      ?             ?      
1 1 1 41 26 16 o -1.476000      1.312000      ?             ?      
1 1 1 41 26 17 o 0.1235000E-01  1.346000      ?             ?      
1 1 1 41 26 18 o 0.2816000      1.295000      ?             ?      
1 1 1 41 26 19 o 0.8034000      1.497000      ?             ?      
1 1 1 41 26 20 o 0.3939000      1.456000      ?             ?      
1 1 1 41 26 21 o -1.640000      1.261000      ?             ?      
1 1 1 41 26 22 o 0.7650000      1.255000      ?             ?      
1 1 1 41 26 23 o -0.9204000     1.249000      ?             ?      
1 1 1 41 26 24 o 0.2216000      1.264000      ?             ?      
1 1 1 41 26 25 o -1.228000      1.260000      ?             ?      
1 1 1 41 26 26 o 0.5547000      1.274000      ?             ?      
1 1 1 41 26 27 o 1.100000       1.278000      ?             ?      
1 1 1 41 26 28 o 0.8065000      1.162000      ?             ?      
1 1 1 41 26 29 o -0.6410000     1.134000      ?             ?      
1 1 1 41 26 30 o 1.063000       1.135000      ?             ?      
1 1 1 41 26 31 o 0.1766000      1.089000      ?             ?      
1 1 1 41 26 32 o 0.3384000      1.158000      ?             ?      
1 1 1 41 26 33 o 0.9094000      1.284000      ?             ?      
1 1 1 41 26 34 o 2.359000       1.292000      ?             ?      
1 1 1 41 26 35 o 0.5525000      1.187000      ?             ?      
1 1 1 41 26 36 o -0.7931000     1.131000      ?             ?      
1 1 1 41 26 37 o 0.1561000      1.140000      ?             ?      
1 1 1 41 26 38 o 0.8728000      1.380000      ?             ?      
1 1 1 41 26 39 o 0.1373000      1.375000      ?             ?      
1 1 1 41 26 40 o -2.097000      1.652000      ?             ?      
1 1 1 41 26 41 o -0.5920000     1.163000      ?             ?      
1 1 1 41 26 42 o -0.1566000     1.196000      ?             ?      
1 1 1 41 27 0  o -0.2439000     1.362000      ?             ?      
1 1 1 41 27 1  o 0.4193000      0.9713000     ?             ?      
1 1 1 41 27 2  o -0.1432000E-02 0.9485000     ?             ?      
1 1 1 41 27 3  o -0.9191000     1.146000      ?             ?      
1 1 1 41 27 4  f 0.7051000      1.138000      ?             ?      
1 1 1 41 27 5  o 3.266000       1.448000      ?             ?      
1 1 1 41 27 6  o -0.7924000     1.428000      ?             ?      
1 1 1 41 27 7  o 1.658000       1.427000      ?             ?      
1 1 1 41 27 8  o 1.466000       1.441000      ?             ?      
1 1 1 41 27 9  o 0.1571000      1.274000      ?             ?      
1 1 1 41 27 10 o -1.399000      1.027000      ?             ?      
1 1 1 41 27 11 o -0.5766000     1.021000      ?             ?      
1 1 1 41 27 12 o -0.3797000     1.062000      ?             ?      
1 1 1 41 27 13 o 0.9408000      1.054000      ?             ?      
1 1 1 41 27 14 o -0.5990000     1.056000      ?             ?      
1 1 1 41 27 15 o 0.4029000      1.149000      ?             ?      
1 1 1 41 27 16 o -0.4678000     1.297000      ?             ?      
1 1 1 41 27 17 o -0.6772000E-01 1.310000      ?             ?      
1 1 1 41 27 18 o 1.283000       1.147000      ?             ?      
1 1 1 41 27 19 o 0.6180000      1.253000      ?             ?      
1 1 1 41 27 20 o -0.5006000     1.259000      ?             ?      
1 1 1 41 27 21 o 2.082000       1.455000      ?             ?      
1 1 1 41 27 22 o 2.230000       1.911000      ?             ?      
1 1 1 41 27 23 o 0.2604000      1.482000      ?             ?      
1 1 1 41 27 24 o -1.947000      1.290000      ?             ?      
1 1 1 41 27 25 o 0.5485000      1.259000      ?             ?      
1 1 1 41 27 26 o 0.5529000      1.274000      ?             ?      
1 1 1 41 27 27 o -1.086000      1.287000      ?             ?      
1 1 1 41 27 28 o 1.467000       1.168000      ?             ?      
1 1 1 41 27 29 o -0.3606000     1.140000      ?             ?      
1 1 1 41 27 30 o 0.4206000      1.147000      ?             ?      
1 1 1 41 27 31 o 0.4334000      1.094000      ?             ?      
1 1 1 41 27 32 o -0.3314000     1.168000      ?             ?      
1 1 1 41 27 33 o 0.5263000E-01  1.152000      ?             ?      
1 1 1 41 27 34 o -1.299000      1.132000      ?             ?      
1 1 1 41 27 35 o 2.064000       1.158000      ?             ?      
1 1 1 41 27 36 o -0.4038000     1.312000      ?             ?      
1 1 1 41 27 37 o -0.6224000     1.138000      ?             ?      
1 1 1 41 27 38 o 0.3459000      1.253000      ?             ?      
1 1 1 41 27 39 o -1.678000      1.410000      ?             ?      
1 1 1 41 27 40 o 2.417000       1.690000      ?             ?      
1 1 1 41 27 41 o 2.008000       1.263000      ?             ?      
1 1 1 41 27 42 o -0.2354000     1.726000      ?             ?      
1 1 1 41 28 0  o -2.103000      1.351000      ?             ?      
1 1 1 41 28 1  o 0.5827000      0.9552000     ?             ?      
1 1 1 41 28 2  o 1.846000       0.9750000     ?             ?      
1 1 1 41 28 3  o -0.5022000     1.161000      ?             ?      
1 1 1 41 28 4  o 0.8640000      1.443000      ?             ?      
1 1 1 41 28 5  o -0.3670000     1.455000      ?             ?      
1 1 1 41 28 6  o 0.4720000      1.440000      ?             ?      
1 1 1 41 28 7  o 1.341000       1.420000      ?             ?      
1 1 1 41 28 8  o -1.091000      1.272000      ?             ?      
1 1 1 41 28 9  o 1.646000       1.098000      ?             ?      
1 1 1 41 28 10 o 1.163000       1.079000      ?             ?      
1 1 1 41 28 11 o -0.3328000     1.066000      ?             ?      
1 1 1 41 28 12 o 0.5153000      1.041000      ?             ?      
1 1 1 41 28 13 o -0.4878000     1.037000      ?             ?      
1 1 1 41 28 14 o 0.3574000      1.166000      ?             ?      
1 1 1 41 28 15 o 0.5256000      1.138000      ?             ?      
1 1 1 41 28 16 o -0.3882000     1.300000      ?             ?      
1 1 1 41 28 17 o -1.179000      1.313000      ?             ?      
1 1 1 41 28 18 o -2.019000      1.245000      ?             ?      
1 1 1 41 28 19 o 1.297000       1.275000      ?             ?      
1 1 1 41 28 20 o 0.2977000      1.250000      ?             ?      
1 1 1 41 28 21 o 0.6775000      1.263000      ?             ?      
1 1 1 41 28 22 o 0.1051000      1.265000      ?             ?      
1 1 1 41 28 23 o -0.4469000     1.331000      ?             ?      
1 1 1 41 28 24 o 1.886000       1.470000      ?             ?      
1 1 1 41 28 25 o -0.4145000     1.929000      ?             ?      
1 1 1 41 28 26 o 0.2693000      1.512000      ?             ?      
1 1 1 41 28 27 o -1.541000      1.299000      ?             ?      
1 1 1 41 28 28 o -1.382000      1.166000      ?             ?      
1 1 1 41 28 29 o 0.4836000      1.163000      ?             ?      
1 1 1 41 28 30 o 1.210000       1.162000      ?             ?      
1 1 1 41 28 31 o -1.940000      1.117000      ?             ?      
1 1 1 41 28 32 o 1.376000       1.182000      ?             ?      
1 1 1 41 28 33 o -0.4318000     1.166000      ?             ?      
1 1 1 41 28 34 o 0.3411000      1.147000      ?             ?      
1 1 1 41 28 35 o 1.012000       1.285000      ?             ?      
1 1 1 41 28 36 o -0.2434000     1.273000      ?             ?      
1 1 1 41 28 37 o 0.3307000      1.338000      ?             ?      
1 1 1 41 28 38 o 0.5540000      1.209000      ?             ?      
1 1 1 41 28 39 o -1.368000      1.087000      ?             ?      
1 1 1 41 28 40 o -0.6231000     1.162000      ?             ?      
1 1 1 41 28 41 o 2.204000       2.249000      ?             ?      
1 1 1 41 29 0  o -1.179000      1.335000      ?             ?      
1 1 1 41 29 1  o 1.119000       0.9691000     ?             ?      
1 1 1 41 29 2  o 0.3414000      0.9793000     ?             ?      
1 1 1 41 29 3  o 1.236000       1.443000      ?             ?      
1 1 1 41 29 4  o -0.5291000     1.407000      ?             ?      
1 1 1 41 29 5  o -0.1039000     1.435000      ?             ?      
1 1 1 41 29 6  o -3.284000      1.452000      ?             ?      
1 1 1 41 29 7  o 0.8019000E-01  1.295000      ?             ?      
1 1 1 41 29 8  o -1.208000      1.226000      ?             ?      
1 1 1 41 29 9  o 0.1624000      1.070000      ?             ?      
1 1 1 41 29 10 o 1.423000       1.073000      ?             ?      
1 1 1 41 29 11 o -0.9670000     1.074000      ?             ?      
1 1 1 41 29 12 o 0.6212000      1.025000      ?             ?      
1 1 1 41 29 13 o -1.300000      1.043000      ?             ?      
1 1 1 41 29 14 o -0.1470000     1.171000      ?             ?      
1 1 1 41 29 15 o 0.4993000      1.151000      ?             ?      
1 1 1 41 29 16 o -0.7886000E-01 1.318000      ?             ?      
1 1 1 41 29 17 o 0.7765000      1.257000      ?             ?      
1 1 1 41 29 18 o -0.2120000     1.235000      ?             ?      
1 1 1 41 29 19 o -0.4290000     1.266000      ?             ?      
1 1 1 41 29 20 o 0.6303000      1.262000      ?             ?      
1 1 1 41 29 21 o 1.012000       1.268000      ?             ?      
1 1 1 41 29 22 o -0.4240000     1.275000      ?             ?      
1 1 1 41 29 23 o -2.228000      1.251000      ?             ?      
1 1 1 41 29 24 o -2.070000      1.270000      ?             ?      
1 1 1 41 29 25 o -0.5473000     1.315000      ?             ?      
1 1 1 41 29 26 o -1.965000      1.456000      ?             ?      
1 1 1 41 29 27 o -1.133000      1.452000      ?             ?      
1 1 1 41 29 28 o 1.554000       1.462000      ?             ?      
1 1 1 41 29 29 o 0.4667000      1.302000      ?             ?      
1 1 1 41 29 30 o -0.1069000     1.181000      ?             ?      
1 1 1 41 29 31 o 0.4563000      1.209000      ?             ?      
1 1 1 41 29 32 o -0.4865000     1.199000      ?             ?      
1 1 1 41 29 33 o -0.6750000     1.182000      ?             ?      
1 1 1 41 29 34 o 0.6010000      1.191000      ?             ?      
1 1 1 41 29 35 o -1.405000      1.283000      ?             ?      
1 1 1 41 29 36 o -1.126000      1.302000      ?             ?      
1 1 1 41 29 37 o 0.1616000      1.240000      ?             ?      
1 1 1 41 29 38 o -0.1288000     1.422000      ?             ?      
1 1 1 41 29 39 o -0.4795000     1.390000      ?             ?      
1 1 1 41 29 40 o 1.467000       1.316000      ?             ?      
1 1 1 41 30 0  o -1.567000      1.614000      ?             ?      
1 1 1 41 30 1  o 0.9489000      0.9612000     ?             ?      
1 1 1 41 30 2  o 2.167000       1.074000      ?             ?      
1 1 1 41 30 3  o -0.5326000     1.401000      ?             ?      
1 1 1 41 30 4  o 0.5982000E-01  1.409000      ?             ?      
1 1 1 41 30 5  o -0.6537000     1.454000      ?             ?      
1 1 1 41 30 6  o -0.8208000E-01 1.315000      ?             ?      
1 1 1 41 30 7  o -0.4276000E-02 1.222000      ?             ?      
1 1 1 41 30 8  o -0.8372000     1.075000      ?             ?      
1 1 1 41 30 9  o -0.4878000     1.062000      ?             ?      
1 1 1 41 30 10 o 0.3530000      1.045000      ?             ?      
1 1 1 41 30 11 o 0.2682000E-03  1.076000      ?             ?      
1 1 1 41 30 12 o 0.5932000      1.088000      ?             ?      
1 1 1 41 30 13 o 0.4961000      1.159000      ?             ?      
1 1 1 41 30 14 o 0.6837000      1.156000      ?             ?      
1 1 1 41 30 15 o -0.5451000     1.161000      ?             ?      
1 1 1 41 30 16 o 0.7883000      1.520000      ?             ?      
1 1 1 41 30 17 o 2.138000       1.267000      ?             ?      
1 1 1 41 30 18 o 0.6013000      1.248000      ?             ?      
1 1 1 41 30 19 o -0.2305000     1.242000      ?             ?      
1 1 1 41 30 20 o 0.1228000      1.248000      ?             ?      
1 1 1 41 30 21 o -1.880000      1.277000      ?             ?      
1 1 1 41 30 22 o -1.433000      1.279000      ?             ?      
1 1 1 41 30 23 o -0.8028000     1.259000      ?             ?      
1 1 1 41 30 24 o 1.264000       1.263000      ?             ?      
1 1 1 41 30 25 o 0.8627000      1.277000      ?             ?      
1 1 1 41 30 26 o 1.257000       1.294000      ?             ?      
1 1 1 41 30 27 o 0.7887000E-01  1.313000      ?             ?      
1 1 1 41 30 28 o -1.192000      1.219000      ?             ?      
1 1 1 41 30 29 o -0.8688000     1.269000      ?             ?      
1 1 1 41 30 30 o 2.761000       1.283000      ?             ?      
1 1 1 41 30 31 o 0.1984000      1.420000      ?             ?      
1 1 1 41 30 32 o -0.8897000     1.372000      ?             ?      
1 1 1 41 30 33 o 0.9478000      1.200000      ?             ?      
1 1 1 41 30 34 o -0.3225000     1.308000      ?             ?      
1 1 1 41 30 35 o 0.4321000      1.309000      ?             ?      
1 1 1 41 30 36 o 0.6441000      1.234000      ?             ?      
1 1 1 41 30 37 o -1.888000      1.266000      ?             ?      
1 1 1 41 30 38 o -1.098000      1.365000      ?             ?      
1 1 1 41 30 39 o -1.957000      2.182000      ?             ?      
1 1 1 41 31 0  o -0.3689000     1.575000      ?             ?      
1 1 1 41 31 1  o -0.5696000     1.046000      ?             ?      
1 1 1 41 31 2  o 0.2508000      1.087000      ?             ?      
1 1 1 41 31 3  o 1.820000       1.395000      ?             ?      
1 1 1 41 31 4  o 0.8915000      1.435000      ?             ?      
1 1 1 41 31 5  o 0.2599000      1.299000      ?             ?      
1 1 1 41 31 6  o 0.7152000      1.238000      ?             ?      
1 1 1 41 31 7  o -0.2755000     1.056000      ?             ?      
1 1 1 41 31 8  o 0.8322000      1.073000      ?             ?      
1 1 1 41 31 9  o -0.1091000     1.059000      ?             ?      
1 1 1 41 31 10 o -1.537000      1.080000      ?             ?      
1 1 1 41 31 11 o -2.379000      1.083000      ?             ?      
1 1 1 41 31 12 o 0.9880000E-01  1.106000      ?             ?      
1 1 1 41 31 13 o -0.4641000     1.267000      ?             ?      
1 1 1 41 31 14 o 1.298000       1.269000      ?             ?      
1 1 1 41 31 15 o 0.5666000      1.285000      ?             ?      
1 1 1 41 31 16 o 0.1805000      1.141000      ?             ?      
1 1 1 41 31 17 o -1.133000      1.261000      ?             ?      
1 1 1 41 31 18 o 2.943000       1.279000      ?             ?      
1 1 1 41 31 19 o -0.3705000     1.256000      ?             ?      
1 1 1 41 31 20 o 1.368000       1.284000      ?             ?      
1 1 1 41 31 21 o -2.143000      1.270000      ?             ?      
1 1 1 41 31 22 o -0.4992000     1.287000      ?             ?      
1 1 1 41 31 23 o -1.392000      1.280000      ?             ?      
1 1 1 41 31 24 o -1.380000      1.280000      ?             ?      
1 1 1 41 31 25 o 0.5225000      1.282000      ?             ?      
1 1 1 41 31 26 o 0.1063000      1.177000      ?             ?      
1 1 1 41 31 27 o -0.5909000     1.187000      ?             ?      
1 1 1 41 31 28 o -1.050000      1.193000      ?             ?      
1 1 1 41 31 29 o -1.097000      1.192000      ?             ?      
1 1 1 41 31 30 o -2.787000      1.229000      ?             ?      
1 1 1 41 31 31 o -0.7709000     1.260000      ?             ?      
1 1 1 41 31 32 o 2.412000       1.257000      ?             ?      
1 1 1 41 31 33 o -0.2039000     1.367000      ?             ?      
1 1 1 41 31 34 o 1.410000       1.376000      ?             ?      
1 1 1 41 31 35 o 0.9469000      1.430000      ?             ?      
1 1 1 41 31 36 o 0.1102000      1.301000      ?             ?      
1 1 1 41 31 37 o 1.141000       1.388000      ?             ?      
1 1 1 41 31 38 o -0.4740000E-01 2.196000      ?             ?      
1 1 1 41 32 0  o 0.8672000      1.580000      ?             ?      
1 1 1 41 32 1  o -0.1673000     1.038000      ?             ?      
1 1 1 41 32 2  o -1.457000      1.375000      ?             ?      
1 1 1 41 32 3  o 1.382000       1.403000      ?             ?      
1 1 1 41 32 4  o -1.588000      1.274000      ?             ?      
1 1 1 41 32 5  o 0.4280000      1.227000      ?             ?      
1 1 1 41 32 6  o 1.592000       1.050000      ?             ?      
1 1 1 41 32 7  o -0.1071000     1.047000      ?             ?      
1 1 1 41 32 8  o 0.9789000      1.038000      ?             ?      
1 1 1 41 32 9  o -0.2335000     1.048000      ?             ?      
1 1 1 41 32 10 o 0.8864000      1.100000      ?             ?      
1 1 1 41 32 11 o -0.5883000     1.104000      ?             ?      
1 1 1 41 32 12 o -0.3486000     1.263000      ?             ?      
1 1 1 41 32 13 o -0.4195000     1.246000      ?             ?      
1 1 1 41 32 14 o -0.3566000     1.275000      ?             ?      
1 1 1 41 32 15 o 0.9829000E-01  1.299000      ?             ?      
1 1 1 41 32 16 o 1.133000       1.135000      ?             ?      
1 1 1 41 32 17 o 0.5737000      1.265000      ?             ?      
1 1 1 41 32 18 o -0.2384000E-01 1.255000      ?             ?      
1 1 1 41 32 19 o -0.1534000     1.279000      ?             ?      
1 1 1 41 32 20 o 0.3066000      1.288000      ?             ?      
1 1 1 41 32 21 o 0.7277000      1.296000      ?             ?      
1 1 1 41 32 22 o 1.232000       1.295000      ?             ?      
1 1 1 41 32 23 o -1.893000      1.283000      ?             ?      
1 1 1 41 32 24 o 1.212000       1.316000      ?             ?      
1 1 1 41 32 25 o -1.260000      1.318000      ?             ?      
1 1 1 41 32 26 o 1.098000       1.210000      ?             ?      
1 1 1 41 32 27 o -0.8874000     1.210000      ?             ?      
1 1 1 41 32 28 o 0.2543000E-01  1.208000      ?             ?      
1 1 1 41 32 29 o -0.7177000E-01 1.207000      ?             ?      
1 1 1 41 32 30 o -2.998000      2.021000      ?             ?      
1 1 1 41 32 31 o 1.250000       1.303000      ?             ?      
1 1 1 41 32 32 o 0.2323000      1.325000      ?             ?      
1 1 1 41 32 33 o -0.6317000     1.459000      ?             ?      
1 1 1 41 32 34 o -0.8455000     2.543000      ?             ?      
1 1 1 41 32 35 o -1.706000      1.268000      ?             ?      
1 1 1 41 32 36 o 1.318000       1.296000      ?             ?      
1 1 1 41 32 37 o -2.188000      1.214000      ?             ?      
1 1 1 41 33 0  o 0.4273000      1.542000      ?             ?      
1 1 1 41 33 1  o -0.4475000     1.101000      ?             ?      
1 1 1 41 33 2  o -0.4000000     1.364000      ?             ?      
1 1 1 41 33 3  o 0.9187000      1.281000      ?             ?      
1 1 1 41 33 4  o -0.5415000     1.242000      ?             ?      
1 1 1 41 33 5  o -0.3065000     1.037000      ?             ?      
1 1 1 41 33 6  o 1.748000       1.054000      ?             ?      
1 1 1 41 33 7  o -0.5165000     1.023000      ?             ?      
1 1 1 41 33 8  o 0.5704000      1.031000      ?             ?      
1 1 1 41 33 9  o -1.015000      1.079000      ?             ?      
1 1 1 41 33 10 o -0.5541000     1.096000      ?             ?      
1 1 1 41 33 11 o 1.494000       1.136000      ?             ?      
1 1 1 41 33 12 o -0.4284000     1.291000      ?             ?      
1 1 1 41 33 13 o -0.6353000     1.252000      ?             ?      
1 1 1 41 33 14 o 0.7784000      1.274000      ?             ?      
1 1 1 41 33 15 o 0.9100000      1.148000      ?             ?      
1 1 1 41 33 16 o 0.8057000E-01  1.135000      ?             ?      
1 1 1 41 33 17 o 0.4794000      1.258000      ?             ?      
1 1 1 41 33 18 o 0.7353000      1.272000      ?             ?      
1 1 1 41 33 19 o 1.043000       1.288000      ?             ?      
1 1 1 41 33 20 o -0.3230000     1.275000      ?             ?      
1 1 1 41 33 21 o 1.011000       1.272000      ?             ?      
1 1 1 41 33 22 o 0.3026000      1.298000      ?             ?      
1 1 1 41 33 23 o -1.119000      1.291000      ?             ?      
1 1 1 41 33 24 o 1.042000       1.355000      ?             ?      
1 1 1 41 33 25 o 2.616000       1.349000      ?             ?      
1 1 1 41 33 26 o 1.291000       1.221000      ?             ?      
1 1 1 41 33 27 o -0.9098000     1.246000      ?             ?      
1 1 1 41 33 28 o 1.331000       1.223000      ?             ?      
1 1 1 41 33 29 o 2.094000       1.235000      ?             ?      
1 1 1 41 33 30 o -1.447000      1.299000      ?             ?      
1 1 1 41 33 31 o -0.7498000     1.467000      ?             ?      
1 1 1 41 33 32 o 0.3894000      1.452000      ?             ?      
1 1 1 41 33 33 o -3.541000      1.443000      ?             ?      
1 1 1 41 33 34 o 1.571000       1.258000      ?             ?      
1 1 1 41 33 35 o -1.082000      1.289000      ?             ?      
1 1 1 41 33 36 o 1.268000       2.311000      ?             ?      
1 1 1 41 34 0  o 2.537000       1.572000      ?             ?      
1 1 1 41 34 1  o -1.865000      1.101000      ?             ?      
1 1 1 41 34 2  o 1.196000       1.326000      ?             ?      
1 1 1 41 34 3  o 0.3686000      1.284000      ?             ?      
1 1 1 41 34 4  o -1.444000      1.042000      ?             ?      
1 1 1 41 34 5  o 0.4721000      1.048000      ?             ?      
1 1 1 41 34 6  o -0.4485000     1.046000      ?             ?      
1 1 1 41 34 7  o 0.9935000E-01  1.024000      ?             ?      
1 1 1 41 34 8  o 0.1413000      1.040000      ?             ?      
1 1 1 41 34 9  o 0.1006000      1.080000      ?             ?      
1 1 1 41 34 10 o -0.5852000     1.103000      ?             ?      
1 1 1 41 34 11 o -0.7399000     1.135000      ?             ?      
1 1 1 41 34 12 o -0.1940000     1.250000      ?             ?      
1 1 1 41 34 13 o -1.089000      1.263000      ?             ?      
1 1 1 41 34 14 o -1.707000      2.379000      ?             ?      
1 1 1 41 34 15 o 0.9013000E-01  1.136000      ?             ?      
1 1 1 41 34 16 o -0.6436000     1.136000      ?             ?      
1 1 1 41 34 17 o -0.9127000     1.278000      ?             ?      
1 1 1 41 34 18 o -0.4321000     1.302000      ?             ?      
1 1 1 41 34 19 o 0.4835000      1.295000      ?             ?      
1 1 1 41 34 20 o -1.758000      1.289000      ?             ?      
1 1 1 41 34 21 o -1.463000      1.285000      ?             ?      
1 1 1 41 34 22 o -1.232000      1.298000      ?             ?      
1 1 1 41 34 23 o -0.8055000     1.304000      ?             ?      
1 1 1 41 34 24 o 0.6469000      1.344000      ?             ?      
1 1 1 41 34 25 o 0.1379000E-01  1.344000      ?             ?      
1 1 1 41 34 26 o -2.827000      1.202000      ?             ?      
1 1 1 41 34 27 o 0.2230000      1.321000      ?             ?      
1 1 1 41 34 28 o -1.303000      1.403000      ?             ?      
1 1 1 41 34 29 o 2.428000       1.313000      ?             ?      
1 1 1 41 34 30 o -0.2540000     1.346000      ?             ?      
1 1 1 41 34 31 o -1.440000      1.513000      ?             ?      
1 1 1 41 34 32 o -0.7952000     1.467000      ?             ?      
1 1 1 41 34 33 o -0.2496000     1.290000      ?             ?      
1 1 1 41 34 34 o -2.039000      1.304000      ?             ?      
1 1 1 41 34 35 < 0.000000       -1.000000     ?             ?      
1 1 1 41 35 0  o 1.139000       1.573000      ?             ?      
1 1 1 41 35 1  o -0.5777000     1.075000      ?             ?      
1 1 1 41 35 2  o -0.4101000     1.302000      ?             ?      
1 1 1 41 35 3  o 0.6683000E-01  1.123000      ?             ?      
1 1 1 41 35 4  o -0.9204000     1.111000      ?             ?      
1 1 1 41 35 5  o -0.8395000E-01 1.050000      ?             ?      
1 1 1 41 35 6  o -1.563000      1.016000      ?             ?      
1 1 1 41 35 7  o -0.1593000     1.036000      ?             ?      
1 1 1 41 35 8  o 2.067000       1.088000      ?             ?      
1 1 1 41 35 9  o 1.909000       1.104000      ?             ?      
1 1 1 41 35 10 o 0.5455000      1.104000      ?             ?      
1 1 1 41 35 11 o 1.300000       1.272000      ?             ?      
1 1 1 41 35 12 o 0.8391000      1.262000      ?             ?      
1 1 1 41 35 13 o -2.625000      1.300000      ?             ?      
1 1 1 41 35 14 o 1.130000       1.148000      ?             ?      
1 1 1 41 35 15 o -0.2014000     1.151000      ?             ?      
1 1 1 41 35 16 o -0.3570000     1.141000      ?             ?      
1 1 1 41 35 17 o -0.2594000     1.279000      ?             ?      
1 1 1 41 35 18 o 0.9016000      1.288000      ?             ?      
1 1 1 41 35 19 o -1.756000      1.289000      ?             ?      
1 1 1 41 35 20 o 1.084000       1.300000      ?             ?      
1 1 1 41 35 21 o -0.7669000     1.302000      ?             ?      
1 1 1 41 35 22 o -0.2676000     1.294000      ?             ?      
1 1 1 41 35 23 o -1.349000      1.323000      ?             ?      
1 1 1 41 35 24 o -0.8019000     1.320000      ?             ?      
1 1 1 41 35 25 o 0.9381000      1.262000      ?             ?      
1 1 1 41 35 26 o -1.032000      1.376000      ?             ?      
1 1 1 41 35 27 o -0.6691000     1.297000      ?             ?      
1 1 1 41 35 28 o -0.7614000     1.266000      ?             ?      
1 1 1 41 35 29 o -2.974000      2.146000      ?             ?      
1 1 1 41 35 30 o 0.7721000      2.955000      ?             ?      
1 1 1 41 35 31 o -0.9634000E-01 1.627000      ?             ?      
1 1 1 41 35 32 o -1.472000      1.512000      ?             ?      
1 1 1 41 35 33 o 0.5005000      1.533000      ?             ?      
1 1 1 41 36 0  o -0.2268000     1.488000      ?             ?      
1 1 1 41 36 1  o -1.231000      1.038000      ?             ?      
1 1 1 41 36 2  o 1.359000       1.142000      ?             ?      
1 1 1 41 36 3  o -0.5442000     1.126000      ?             ?      
1 1 1 41 36 4  o 0.8109000E-01  1.113000      ?             ?      
1 1 1 41 36 5  o 1.249000       1.048000      ?             ?      
1 1 1 41 36 6  o -0.3535000     1.016000      ?             ?      
1 1 1 41 36 7  o -0.8066000     1.048000      ?             ?      
1 1 1 41 36 8  o -0.7994000     1.098000      ?             ?      
1 1 1 41 36 9  o 0.1026000      1.110000      ?             ?      
1 1 1 41 36 10 o -1.048000      1.120000      ?             ?      
1 1 1 41 36 11 o 1.629000       1.254000      ?             ?      
1 1 1 41 36 12 o 0.4839000      1.251000      ?             ?      
1 1 1 41 36 13 o -2.334000      1.321000      ?             ?      
1 1 1 41 36 14 o 0.9584000      1.147000      ?             ?      
1 1 1 41 36 15 o -0.8657000     1.144000      ?             ?      
1 1 1 41 36 16 f 0.8585000      1.172000      ?             ?      
1 1 1 41 36 17 o -0.3292000E-02 1.280000      ?             ?      
1 1 1 41 36 18 o 0.9502000      1.287000      ?             ?      
1 1 1 41 36 19 o -3.172000      1.282000      ?             ?      
1 1 1 41 36 20 o -0.1485000     1.321000      ?             ?      
1 1 1 41 36 21 f -0.7071000E-01 1.328000      ?             ?      
1 1 1 41 36 22 o 0.4728000      1.318000      ?             ?      
1 1 1 41 36 23 o -1.346000      1.368000      ?             ?      
1 1 1 41 36 24 o -1.657000      1.391000      ?             ?      
1 1 1 41 36 25 o 0.1447000E-01  1.218000      ?             ?      
1 1 1 41 36 26 o 1.898000       1.251000      ?             ?      
1 1 1 41 36 27 o -0.3880000     1.252000      ?             ?      
1 1 1 41 36 28 o -0.5243000     1.359000      ?             ?      
1 1 1 41 36 29 o -0.2887000     1.311000      ?             ?      
1 1 1 41 36 30 o 0.5197000      1.695000      ?             ?      
1 1 1 41 36 31 o 0.7803000      2.295000      ?             ?      
1 1 1 41 36 32 < 0.000000       -1.000000     ?             ?      
1 1 1 41 37 0  o 0.2910000E-01  1.304000      ?             ?      
1 1 1 41 37 1  o 1.161000       0.9977000     ?             ?      
1 1 1 41 37 2  o -0.2208000     1.143000      ?             ?      
1 1 1 41 37 3  o -1.063000      1.130000      ?             ?      
1 1 1 41 37 4  o 0.5566000      1.042000      ?             ?      
1 1 1 41 37 5  o -1.010000      1.037000      ?             ?      
1 1 1 41 37 6  o -1.511000      1.057000      ?             ?      
1 1 1 41 37 7  o -0.9368000     1.148000      ?             ?      
1 1 1 41 37 8  o -0.9838000     1.090000      ?             ?      
1 1 1 41 37 9  o -1.571000      1.112000      ?             ?      
1 1 1 41 37 10 o 0.1170000      1.271000      ?             ?      
1 1 1 41 37 11 o -1.338000      1.255000      ?             ?      
1 1 1 41 37 12 o 0.3463000      1.267000      ?             ?      
1 1 1 41 37 13 o 0.3618000      1.163000      ?             ?      
1 1 1 41 37 14 o 0.9463000E-01  1.125000      ?             ?      
1 1 1 41 37 15 o 0.1465000      1.199000      ?             ?      
1 1 1 41 37 16 o -1.608000      1.265000      ?             ?      
1 1 1 41 37 17 o 1.932000       1.297000      ?             ?      
1 1 1 41 37 18 o -0.3508000E-01 1.301000      ?             ?      
1 1 1 41 37 19 o -1.268000      1.294000      ?             ?      
1 1 1 41 37 20 o -0.2198000E-01 1.321000      ?             ?      
1 1 1 41 37 21 o -1.053000      1.348000      ?             ?      
1 1 1 41 37 22 o -1.441000      1.325000      ?             ?      
1 1 1 41 37 23 o -0.3028000     1.348000      ?             ?      
1 1 1 41 37 24 o 0.6284000      1.234000      ?             ?      
1 1 1 41 37 25 o -1.564000      1.233000      ?             ?      
1 1 1 41 37 26 o 0.6875000      1.270000      ?             ?      
1 1 1 41 37 27 o -0.1067000E-01 1.291000      ?             ?      
1 1 1 41 37 28 o 0.7247000      1.302000      ?             ?      
1 1 1 41 37 29 o 2.196000       2.305000      ?             ?      
1 1 1 41 37 30 f -1.234000      2.234000      ?             ?      
1 1 1 41 38 0  o -0.5832000     1.259000      ?             ?      
1 1 1 41 38 1  o 0.4349000E-01  0.9871000     ?             ?      
1 1 1 41 38 2  o 0.2134000      1.099000      ?             ?      
1 1 1 41 38 3  o 1.783000       1.051000      ?             ?      
1 1 1 41 38 4  o 0.3476000      1.052000      ?             ?      
1 1 1 41 38 5  o 2.004000       1.094000      ?             ?      
1 1 1 41 38 6  o -0.4340000     1.078000      ?             ?      
1 1 1 41 38 7  o -1.524000      1.158000      ?             ?      
1 1 1 41 38 8  o -0.3437000     1.177000      ?             ?      
1 1 1 41 38 9  o 0.5155000      1.211000      ?             ?      
1 1 1 41 38 10 o -0.8033000     1.264000      ?             ?      
1 1 1 41 38 11 o -0.5193000     1.260000      ?             ?      
1 1 1 41 38 12 o -0.7129000     1.292000      ?             ?      
1 1 1 41 38 13 o -0.1808000     1.269000      ?             ?      
1 1 1 41 38 14 o -0.5608000     1.297000      ?             ?      
1 1 1 41 38 15 o -2.284000      1.168000      ?             ?      
1 1 1 41 38 16 o 0.4662000      1.196000      ?             ?      
1 1 1 41 38 17 o -0.7520000     1.300000      ?             ?      
1 1 1 41 38 18 o -1.194000      1.337000      ?             ?      
1 1 1 41 38 19 o 0.4131000      1.318000      ?             ?      
1 1 1 41 38 20 o -1.464000      1.328000      ?             ?      
1 1 1 41 38 21 o 0.2567000      1.337000      ?             ?      
1 1 1 41 38 22 o 3.202000       2.449000      ?             ?      
1 1 1 41 38 23 o -1.652000      1.251000      ?             ?      
1 1 1 41 38 24 o -0.3552000     1.253000      ?             ?      
1 1 1 41 38 25 o -0.1975000     1.272000      ?             ?      
1 1 1 41 38 26 o -0.5225000     1.272000      ?             ?      
1 1 1 41 38 27 o 0.2052000      1.291000      ?             ?      
1 1 1 41 38 28 o -1.146000      4.204000      ?             ?      
1 1 1 41 38 29 < 0.000000       -1.000000     ?             ?      
1 1 1 41 39 0  o 1.081000       1.276000      ?             ?      
1 1 1 41 39 1  o 0.3320000E-02  0.9899000     ?             ?      
1 1 1 41 39 2  o 1.229000       1.040000      ?             ?      
1 1 1 41 39 3  o -1.025000      1.046000      ?             ?      
1 1 1 41 39 4  o -0.3439000     1.065000      ?             ?      
1 1 1 41 39 5  o -0.9093000     1.066000      ?             ?      
1 1 1 41 39 6  o 0.4988000      1.100000      ?             ?      
1 1 1 41 39 7  o -0.6621000     1.164000      ?             ?      
1 1 1 41 39 8  o -1.060000      1.188000      ?             ?      
1 1 1 41 39 9  o -0.4905000     1.351000      ?             ?      
1 1 1 41 39 10 o 2.539000       1.515000      ?             ?      
1 1 1 41 39 11 o -2.210000      1.481000      ?             ?      
1 1 1 41 39 12 o -0.8406000E-01 1.278000      ?             ?      
1 1 1 41 39 13 o -1.461000      1.164000      ?             ?      
1 1 1 41 39 14 o -1.177000      1.151000      ?             ?      
1 1 1 41 39 15 o 1.262000       1.218000      ?             ?      
1 1 1 41 39 16 o -0.8189000     1.238000      ?             ?      
1 1 1 41 39 17 o 0.8550000      1.360000      ?             ?      
1 1 1 41 39 18 o 2.596000       1.335000      ?             ?      
1 1 1 41 39 19 o -1.314000      1.330000      ?             ?      
1 1 1 41 39 20 f 3.545000       1.361000      ?             ?      
1 1 1 41 39 21 o 0.5694000E-02  1.353000      ?             ?      
1 1 1 41 39 22 o 1.227000       1.366000      ?             ?      
1 1 1 41 39 23 o 0.3967000      1.261000      ?             ?      
1 1 1 41 39 24 o -1.111000      1.254000      ?             ?      
1 1 1 41 39 25 o 0.2967000      1.288000      ?             ?      
1 1 1 41 39 26 o 1.030000       1.652000      ?             ?      
1 1 1 41 39 27 o 5.447000       4.739000      ?             ?      
1 1 1 41 40 0  o 0.4453000E-01  1.284000      ?             ?      
1 1 1 41 40 1  o -0.8481000E-01 1.098000      ?             ?      
1 1 1 41 40 2  o -2.231000      1.013000      ?             ?      
1 1 1 41 40 3  o 0.4256000      1.048000      ?             ?      
1 1 1 41 40 4  o -0.5269000     1.080000      ?             ?      
1 1 1 41 40 5  o -0.6492000     1.095000      ?             ?      
1 1 1 41 40 6  o -0.9055000     1.168000      ?             ?      
1 1 1 41 40 7  o -0.3937000     1.276000      ?             ?      
1 1 1 41 40 8  o -0.4657000     1.317000      ?             ?      
1 1 1 41 40 9  o 0.3782000      1.363000      ?             ?      
1 1 1 41 40 10 o -0.4199000E-01 1.305000      ?             ?      
1 1 1 41 40 11 o -0.4181000     1.303000      ?             ?      
1 1 1 41 40 12 o 0.9940000      1.225000      ?             ?      
1 1 1 41 40 13 o -0.6251000     1.203000      ?             ?      
1 1 1 41 40 14 o 0.9317000      1.195000      ?             ?      
1 1 1 41 40 15 o -0.9516000     1.050000      ?             ?      
1 1 1 41 40 16 o 0.2692000      1.185000      ?             ?      
1 1 1 41 40 17 o 0.3889000      1.331000      ?             ?      
1 1 1 41 40 18 o -0.3617000     1.362000      ?             ?      
1 1 1 41 40 19 o -1.364000      1.342000      ?             ?      
1 1 1 41 40 20 o -0.6235000E-01 1.354000      ?             ?      
1 1 1 41 40 21 o 1.138000       1.363000      ?             ?      
1 1 1 41 40 22 o -0.9993000     1.387000      ?             ?      
1 1 1 41 40 23 o 1.176000       1.629000      ?             ?      
1 1 1 41 40 24 o 4.093000       3.041000      ?             ?      
1 1 1 41 40 25 o -0.2981000E-01 1.594000      ?             ?      
1 1 1 41 41 0  o -0.1959000     1.300000      ?             ?      
1 1 1 41 41 1  o 1.328000       1.122000      ?             ?      
1 1 1 41 41 2  o -0.5014000E-01 1.038000      ?             ?      
1 1 1 41 41 3  o -0.3993000     1.043000      ?             ?      
1 1 1 41 41 4  o 0.6563000      1.098000      ?             ?      
1 1 1 41 41 5  o -2.096000      1.191000      ?             ?      
1 1 1 41 41 6  o -0.6237000     1.249000      ?             ?      
1 1 1 41 41 7  o -0.1711000     1.205000      ?             ?      
1 1 1 41 41 8  o -1.792000      1.344000      ?             ?      
1 1 1 41 41 9  o -1.785000      1.324000      ?             ?      
1 1 1 41 41 10 o -1.443000      2.304000      ?             ?      
1 1 1 41 41 11 o 0.9938000      1.366000      ?             ?      
1 1 1 41 41 12 o -2.113000      2.042000      ?             ?      
1 1 1 41 41 13 o 0.6513000      2.070000      ?             ?      
1 1 1 41 41 14 o 2.160000       2.102000      ?             ?      
1 1 1 41 41 15 o -0.6723000     1.078000      ?             ?      
1 1 1 41 41 16 o 0.3340000      1.205000      ?             ?      
1 1 1 41 41 17 o 0.7426000      1.090000      ?             ?      
1 1 1 41 41 18 o -0.3383000     1.354000      ?             ?      
1 1 1 41 41 19 o 0.8484000      1.377000      ?             ?      
1 1 1 41 41 20 o 1.095000       1.393000      ?             ?      
1 1 1 41 41 21 o 0.6196000      1.612000      ?             ?      
1 1 1 41 41 22 o -0.3891000     1.645000      ?             ?      
1 1 1 41 41 23 < 0.000000       -1.000000     ?             ?      
1 1 1 41 42 0  o 0.2237000      1.331000      ?             ?      
1 1 1 41 42 1  o -1.147000      1.147000      ?             ?      
1 1 1 41 42 2  o -0.4491000     1.135000      ?             ?      
1 1 1 41 42 3  o -0.3691000     1.137000      ?             ?      
1 1 1 41 42 4  o -0.4256000E-01 1.068000      ?             ?      
1 1 1 41 42 5  o 0.2802000      1.160000      ?             ?      
1 1 1 41 42 6  o -0.7430000     1.197000      ?             ?      
1 1 1 41 42 7  o 2.413000       1.404000      ?             ?      
1 1 1 41 42 8  o 0.1297000      1.624000      ?             ?      
1 1 1 41 42 9  o -0.5010000     1.314000      ?             ?      
1 1 1 41 42 10 o -0.5190000     1.301000      ?             ?      
1 1 1 41 42 11 o 2.881000       1.194000      ?             ?      
1 1 1 41 42 12 o -0.6222000     1.195000      ?             ?      
1 1 1 41 42 13 o 0.3636000      1.210000      ?             ?      
1 1 1 41 42 14 o 0.8064000      1.222000      ?             ?      
1 1 1 41 42 15 o -1.285000      1.239000      ?             ?      
1 1 1 41 42 16 o 1.285000       1.259000      ?             ?      
1 1 1 41 42 17 o -0.3820000     1.395000      ?             ?      
1 1 1 41 42 18 o -0.8030000     1.619000      ?             ?      
1 1 1 41 42 19 o -0.3544000     1.268000      ?             ?      
1 1 1 41 42 20 o -1.777000      1.291000      ?             ?      
1 1 1 41 43 0  o 0.7284000      1.459000      ?             ?      
1 1 1 41 43 1  o -0.9611000     1.136000      ?             ?      
1 1 1 41 43 2  o -1.999000      1.051000      ?             ?      
1 1 1 41 43 3  o -0.9960000     1.083000      ?             ?      
1 1 1 41 43 4  o -1.323000      1.143000      ?             ?      
1 1 1 41 43 5  o 0.4091000      1.890000      ?             ?      
1 1 1 41 43 6  o -1.233000      1.123000      ?             ?      
1 1 1 41 43 7  o 0.2374000      1.351000      ?             ?      
1 1 1 41 43 8  o -1.934000      2.277000      ?             ?      
1 1 1 41 43 9  o 1.044000       1.308000      ?             ?      
1 1 1 41 43 10 o 3.275000       1.354000      ?             ?      
1 1 1 41 43 11 o 0.1168000      1.197000      ?             ?      
1 1 1 41 43 12 o -1.051000      1.211000      ?             ?      
1 1 1 41 43 13 o -0.1765000     1.224000      ?             ?      
1 1 1 41 43 14 o 1.481000       1.586000      ?             ?      
1 1 1 41 43 15 o 0.4570000      1.599000      ?             ?      
1 1 1 41 43 16 o -1.253000      1.638000      ?             ?      
1 1 1 41 43 17 o 0.2943000      1.644000      ?             ?      
1 1 1 41 44 0  o -1.013000      1.451000      ?             ?      
1 1 1 41 44 1  o -0.4726000     1.276000      ?             ?      
1 1 1 41 44 2  o 0.8974000      1.131000      ?             ?      
1 1 1 41 44 3  o -0.7469000E-01 1.100000      ?             ?      
1 1 1 41 44 4  o -0.1912000     1.101000      ?             ?      
1 1 1 41 44 5  o 0.6267000E-01  1.117000      ?             ?      
1 1 1 41 44 6  f -1.487000      1.141000      ?             ?      
1 1 1 41 44 7  o 0.2682000      1.277000      ?             ?      
1 1 1 41 44 8  o -0.8246000     1.280000      ?             ?      
1 1 1 41 44 9  o 0.1577000      1.515000      ?             ?      
1 1 1 41 44 10 o -1.608000      1.308000      ?             ?      
1 1 1 41 44 11 o 0.3927000      2.892000      ?             ?      
1 1 1 41 44 12 o -2.119000      1.600000      ?             ?      
1 1 1 41 44 13 o 1.745000       1.615000      ?             ?      
1 1 1 41 44 14 < 0.000000       -1.000000     ?             ?      
1 1 1 41 45 0  o -0.4909000E-01 1.372000      ?             ?      
1 1 1 41 45 1  o -0.2513000     1.276000      ?             ?      
1 1 1 41 45 2  o 1.663000       4.089000      ?             ?      
1 1 1 41 45 3  o -2.185000      2.122000      ?             ?      
1 1 1 41 45 4  o -2.251000      1.196000      ?             ?      
1 1 1 41 45 5  o 1.898000       1.613000      ?             ?      
1 1 1 41 45 6  o -3.288000      2.194000      ?             ?      
1 1 1 41 45 7  o -2.239000      2.124000      ?             ?      
1 1 1 41 45 8  o 3.249000       4.243000      ?             ?      
1 1 1 41 45 9  < 0.000000       -1.000000     ?             ?      
1 1 1 42 0  0  o 1.495000       1.887000      60.41684      -0.0   
1 1 1 42 0  1  o -0.3635000     1.339000      10.75791      90.0   
1 1 1 42 0  2  o 2.460000       1.317000      270.5080      0.0    
1 1 1 42 0  3  o 0.6524000      1.303000      63.11135      -90.0  
1 1 1 42 0  4  o 0.6202000      1.316000      42.74119      0.0    
1 1 1 42 0  5  o -2.829000      1.323000      97.06804      -90.0  
1 1 1 42 0  6  o 0.3311000      1.350000      99.60367      -180.0 
1 1 1 42 0  7  o 5.927000       1.403000      349.5722      -90.0  
1 1 1 42 0  8  o 1.046000       1.446000      291.6491      0.0    
1 1 1 42 0  9  o -0.6192000     1.483000      165.0457      -90.0  
1 1 1 42 0  10 o 3.820000       1.500000      79.15245      180.0  
1 1 1 42 0  11 o -1.653000      1.499000      16.42898      -90.0  
1 1 1 42 0  12 o -0.2939000     1.509000      9.385036      -180.0 
1 1 1 42 0  13 o 1.870000       1.503000      140.6822      -90.0  
1 1 1 42 0  14 o -1.312000      1.542000      80.69295      0.0    
1 1 1 42 0  15 o 3.128000       1.606000      89.11542      90.0   
1 1 1 42 0  16 o 4.644000       1.730000      134.6537      -0.0   
1 1 1 42 0  17 o 2.981000       1.755000      240.6939      -90.0  
1 1 1 42 0  18 o -2.709000      1.736000      4.541441      -180.0 
1 1 1 42 0  19 o -0.5975000     1.752000      3.071100      90.0   
1 1 1 42 0  20 o -2.210000      1.961000      11.16549      180.0  
1 1 1 42 0  21 o 0.6416000      1.809000      77.37738      90.0   
1 1 1 42 0  22 o -1.388000      1.720000      ?             ?      
1 1 1 42 0  23 o 0.3967000      1.852000      ?             ?      
1 1 1 42 0  24 o -2.330000      1.980000      ?             ?      
1 1 1 42 0  25 o 1.144000       1.671000      ?             ?      
1 1 1 42 0  26 o 1.957000       1.674000      ?             ?      
1 1 1 42 0  27 o -2.064000      1.495000      ?             ?      
1 1 1 42 0  28 o 1.009000       1.336000      ?             ?      
1 1 1 42 0  29 o 0.4678000      1.311000      ?             ?      
1 1 1 42 0  30 o 0.1640000      1.290000      ?             ?      
1 1 1 42 0  31 o 0.9267000E-01  1.275000      ?             ?      
1 1 1 42 0  32 o 0.5353000      1.291000      ?             ?      
1 1 1 42 0  33 o 0.4916000      1.289000      ?             ?      
1 1 1 42 0  34 o -0.6067000E-01 1.390000      ?             ?      
1 1 1 42 0  35 o -0.7327000     1.333000      ?             ?      
1 1 1 42 0  36 o -0.2178000     1.344000      ?             ?      
1 1 1 42 0  37 o -0.3924000     1.355000      ?             ?      
1 1 1 42 0  38 o 0.1364000      1.273000      ?             ?      
1 1 1 42 0  39 o -0.7712000     1.293000      ?             ?      
1 1 1 42 0  40 o -0.1190000E-01 1.307000      ?             ?      
1 1 1 42 0  41 o 0.2398000      1.304000      ?             ?      
1 1 1 42 0  42 o 0.2104000      1.342000      ?             ?      
1 1 1 42 0  43 o 3.191000       1.395000      ?             ?      
1 1 1 42 0  44 o 3.962000       1.409000      ?             ?      
1 1 1 42 0  45 o -0.1363000     1.371000      ?             ?      
1 1 1 42 0  46 o 0.8530000      2.017000      ?             ?      
1 1 1 42 0  47 o -0.6771000     2.016000      ?             ?      
1 1 1 42 0  48 o -0.8537000     2.509000      ?             ?      
1 1 1 42 0  49 o -1.552000      1.932000      ?             ?      
1 1 1 42 0  50 o -1.121000      2.040000      ?             ?      
1 1 1 42 1  0  o 0.1676000      1.325000      48.46819      -180.0 
1 1 1 42 1  1  o 1.572000       0.9314000     63.24410      127.5  
1 1 1 42 1  2  o -0.3061000     0.9215000     88.62897      -112.5 
1 1 1 42 1  3  o 1.543000       0.9311000     182.8291      154.5  
1 1 1 42 1  4  o 1.197000       0.9286000     119.8289      -82.5  
1 1 1 42 1  5  o 0.7527000      0.9388000     70.18662      9.3    
1 1 1 42 1  6  o 4.112000       0.9663000     252.5735      41.2   
1 1 1 42 1  7  o 3.862000       0.9760000     247.1008      -6.9   
1 1 1 42 1  8  o 2.013000       1.011000      81.99151      -130.1 
1 1 1 42 1  9  o 1.446000       1.054000      331.8144      172.8  
1 1 1 42 1  10 o 2.342000       1.067000      207.3836      40.2   
1 1 1 42 1  11 o 2.650000       1.071000      76.81130      -164.3 
1 1 1 42 1  12 o 2.667000       1.070000      199.3252      -14.0  
1 1 1 42 1  13 o 0.6613000      1.067000      68.44605      -117.3 
1 1 1 42 1  14 o -0.5327000E-02 1.164000      100.2824      -34.6  
1 1 1 42 1  15 o 2.728000       1.204000      91.57995      -58.3  
1 1 1 42 1  16 o 0.4970000      1.219000      188.7175      -97.1  
1 1 1 42 1  17 o 1.692000       1.224000      157.4311      45.4   
1 1 1 42 1  18 o -1.656000      1.222000      98.74815      -53.6  
1 1 1 42 1  19 o -0.9525000     1.288000      98.33807      -122.6 
1 1 1 42 1  20 o 0.2610000      1.515000      82.51250      45.1   
1 1 1 42 1  21 o -0.6747000E-01 1.500000      59.79800      -153.8 
1 1 1 42 1  22 o 0.7602000      1.280000      ?             ?      
1 1 1 42 1  23 o 0.6539000      1.479000      ?             ?      
1 1 1 42 1  24 o 2.714000       1.346000      ?             ?      
1 1 1 42 1  25 o -1.077000      1.161000      ?             ?      
1 1 1 42 1  26 o -0.3550000     1.103000      ?             ?      
1 1 1 42 1  27 o -0.3516000     1.007000      ?             ?      
1 1 1 42 1  28 o 1.686000       0.9507000     ?             ?      
1 1 1 42 1  29 o 0.9396000      0.9313000     ?             ?      
1 1 1 42 1  30 o -0.1612000E-01 0.9095000     ?             ?      
1 1 1 42 1  31 o -0.2204000     0.9578000     ?             ?      
1 1 1 42 1  32 o 0.3887000      0.9845000     ?             ?      
1 1 1 42 1  33 o 1.330000       0.9343000     ?             ?      
1 1 1 42 1  34 o 0.8659000      0.9380000     ?             ?      
1 1 1 42 1  35 o -0.2946000     0.8912000     ?             ?      
1 1 1 42 1  36 o -1.337000      0.9336000     ?             ?      
1 1 1 42 1  37 o -1.210000      0.9793000     ?             ?      
1 1 1 42 1  38 o 0.9349000      0.9304000     ?             ?      
1 1 1 42 1  39 o -0.4662000     0.9484000     ?             ?      
1 1 1 42 1  40 o 1.778000       0.9325000     ?             ?      
1 1 1 42 1  41 o -1.338000      0.9216000     ?             ?      
1 1 1 42 1  42 o 2.156000       0.9571000     ?             ?      
1 1 1 42 1  43 o -1.080000      0.9605000     ?             ?      
1 1 1 42 1  44 f 0.8995000E-01  0.9716000     ?             ?      
1 1 1 42 1  45 o -0.8256000     0.9730000     ?             ?      
1 1 1 42 1  46 o -0.1985000     1.187000      ?             ?      
1 1 1 42 1  47 o -2.054000      1.615000      ?             ?      
1 1 1 42 1  48 o 2.800000       2.719000      ?             ?      
1 1 1 42 1  49 o 0.8678000      1.758000      ?             ?      
1 1 1 42 1  50 o -0.2073000     1.333000      ?             ?      
1 1 1 42 2  0  o 1.629000       1.358000      153.4667      0.0    
1 1 1 42 2  1  o 1.529000       0.9376000     64.08248      -88.4  
1 1 1 42 2  2  o 0.2764000      0.9325000     265.2905      -83.3  
1 1 1 42 2  3  o 1.147000       0.9285000     149.4941      -81.3  
1 1 1 42 2  4  o 1.520000       0.9251000     51.91511      -131.9 
1 1 1 42 2  5  o 2.038000       0.9337000     177.6267      167.1  
1 1 1 42 2  6  o 0.4310000      0.9350000     61.94842      17.4   
1 1 1 42 2  7  o 2.126000       0.9716000     171.9738      -43.5  
1 1 1 42 2  8  o -0.2732000E-01 0.9824000     113.0078      -30.9  
1 1 1 42 2  9  o 2.494000       1.041000      252.9108      176.0  
1 1 1 42 2  10 o 0.6819000      1.058000      80.87834      -107.0 
1 1 1 42 2  11 o 1.326000       1.077000      12.08027      54.3   
1 1 1 42 2  12 o 4.277000       1.090000      183.7694      -74.4  
1 1 1 42 2  13 o 3.142000       1.096000      87.38942      34.9   
1 1 1 42 2  14 o 0.8386000      1.131000      26.83284      170.9  
1 1 1 42 2  15 o 1.004000       1.173000      132.6278      3.4    
1 1 1 42 2  16 o 3.266000       1.262000      206.9059      -32.5  
1 1 1 42 2  17 o 0.8266000      1.218000      44.32807      177.5  
1 1 1 42 2  18 o 0.1605000      1.276000      77.33962      96.5   
1 1 1 42 2  19 o 2.028000       1.300000      78.59598      -77.8  
1 1 1 42 2  20 f 1.540000       1.498000      125.5693      -31.6  
1 1 1 42 2  21 o 1.119000       1.942000      130.8644      125.2  
1 1 1 42 2  22 o -0.3980000     1.300000      ?             ?      
1 1 1 42 2  23 o -2.614000      1.301000      ?             ?      
1 1 1 42 2  24 o 1.677000       1.335000      ?             ?      
1 1 1 42 2  25 o 0.9433000      1.198000      ?             ?      
1 1 1 42 2  26 o -2.392000      1.092000      ?             ?      
1 1 1 42 2  27 o -0.2902000     1.036000      ?             ?      
1 1 1 42 2  28 o 2.217000       1.000000      ?             ?      
1 1 1 42 2  29 o 0.8662000      0.9767000     ?             ?      
1 1 1 42 2  30 o 0.8325000      0.9487000     ?             ?      
1 1 1 42 2  31 o 1.347000       0.9641000     ?             ?      
1 1 1 42 2  32 o 0.6795000      0.9406000     ?             ?      
1 1 1 42 2  33 o -0.4182000     0.8910000     ?             ?      
1 1 1 42 2  34 o -1.108000      0.8999000     ?             ?      
1 1 1 42 2  35 o -0.2334000     0.9025000     ?             ?      
1 1 1 42 2  36 o 0.3523000E-01  0.9024000     ?             ?      
1 1 1 42 2  37 o 0.5229000E-01  0.9056000     ?             ?      
1 1 1 42 2  38 o 0.4109000      0.9483000     ?             ?      
1 1 1 42 2  39 o 0.1808000E-01  0.9761000     ?             ?      
1 1 1 42 2  40 o -0.1985000     0.9385000     ?             ?      
1 1 1 42 2  41 o 0.4446000      0.9752000     ?             ?      
1 1 1 42 2  42 o -0.2179000     0.9800000     ?             ?      
1 1 1 42 2  43 o 0.2315000      0.9509000     ?             ?      
1 1 1 42 2  44 o 0.8293000      1.012000      ?             ?      
1 1 1 42 2  45 o 0.7273000      1.065000      ?             ?      
1 1 1 42 2  46 o 2.344000       1.365000      ?             ?      
1 1 1 42 2  47 o 0.3815000      1.389000      ?             ?      
1 1 1 42 2  48 o 1.417000       3.514000      ?             ?      
1 1 1 42 2  49 o -0.5442000     1.300000      ?             ?      
1 1 1 42 2  50 o 0.7916000      1.443000      ?             ?      
1 1 1 42 3  0  o 6.463000       1.606000      314.0094      -0.0   
1 1 1 42 3  1  o 0.7733000      0.9324000     143.4891      1.4    
1 1 1 42 3  2  o -0.6197000     0.9228000     70.09749      -2.4   
1 1 1 42 3  3  o -0.2885000     0.9107000     141.4870      3.0    
1 1 1 42 3  4  o 1.036000       0.9175000     147.4981      -97.9  
1 1 1 42 3  5  o -0.5086000E-01 0.9253000     50.45726      -72.3  
1 1 1 42 3  6  o 0.2497000      0.9316000     93.63741      -33.6  
1 1 1 42 3  7  o 1.832000       0.9592000     103.6459      -19.4  
1 1 1 42 3  8  o 0.6608000      0.9766000     33.25953      -35.8  
1 1 1 42 3  9  o 1.791000       1.032000      113.3461      -81.5  
1 1 1 42 3  10 o 2.851000       1.076000      319.1205      -41.8  
1 1 1 42 3  11 o 1.587000       1.073000      104.7688      7.9    
1 1 1 42 3  12 o 0.7235000      1.091000      160.8431      -52.4  
1 1 1 42 3  13 o 0.5421000      1.181000      114.4953      -68.7  
1 1 1 42 3  14 o 0.2643000      1.134000      17.20394      29.2   
1 1 1 42 3  15 o 0.9156000      1.177000      162.0831      -70.9  
1 1 1 42 3  16 o -0.6068000     1.336000      55.99963      144.0  
1 1 1 42 3  17 o 0.7797000      1.250000      107.2085      24.1   
1 1 1 42 3  18 o 0.3214000      1.282000      96.41425      -71.0  
1 1 1 42 3  19 o -0.6191000     1.295000      25.08691      21.6   
1 1 1 42 3  20 o 0.1504000      1.764000      113.4092      84.8   
1 1 1 42 3  21 o -0.9994000E-01 1.751000      9.402181      164.9  
1 1 1 42 3  22 o -1.494000      1.325000      ?             ?      
1 1 1 42 3  23 o -1.238000      1.286000      ?             ?      
1 1 1 42 3  24 o 0.9678000      1.233000      ?             ?      
1 1 1 42 3  25 o -1.228000      1.142000      ?             ?      
1 1 1 42 3  26 o 0.7551000      1.047000      ?             ?      
1 1 1 42 3  27 o 0.3300000      1.028000      ?             ?      
1 1 1 42 3  28 o -1.304000      1.004000      ?             ?      
1 1 1 42 3  29 o 1.479000       1.008000      ?             ?      
1 1 1 42 3  30 o 0.3926000      0.9473000     ?             ?      
1 1 1 42 3  31 o 0.1752000      0.9221000     ?             ?      
1 1 1 42 3  32 o 0.1548000      0.9087000     ?             ?      
1 1 1 42 3  33 o -0.1941000E-01 0.9046000     ?             ?      
1 1 1 42 3  34 o 1.975000       0.9138000     ?             ?      
1 1 1 42 3  35 o 0.7436000      0.9046000     ?             ?      
1 1 1 42 3  36 o 0.1804000      0.9067000     ?             ?      
1 1 1 42 3  37 o 1.283000       0.9025000     ?             ?      
1 1 1 42 3  38 o 0.1623000      0.8985000     ?             ?      
1 1 1 42 3  39 o -0.2544000     0.9086000     ?             ?      
1 1 1 42 3  40 o 0.4671000      0.9267000     ?             ?      
1 1 1 42 3  41 o 0.6906000      0.9939000     ?             ?      
1 1 1 42 3  42 o -0.4929000     1.029000      ?             ?      
1 1 1 42 3  43 o 0.6050000      1.010000      ?             ?      
1 1 1 42 3  44 o 0.6523000      1.364000      ?             ?      
1 1 1 42 3  45 o -0.9224000     1.157000      ?             ?      
1 1 1 42 3  46 o -0.6003000     1.162000      ?             ?      
1 1 1 42 3  47 o 0.5295000      1.595000      ?             ?      
1 1 1 42 3  48 o 0.5994000      1.875000      ?             ?      
1 1 1 42 3  49 o 1.597000       1.535000      ?             ?      
1 1 1 42 3  50 o -1.367000      1.278000      ?             ?      
1 1 1 42 4  0  o 2.034000       1.294000      16.97069      0.0    
1 1 1 42 4  1  o 2.775000       0.9305000     207.0651      120.6  
1 1 1 42 4  2  o 0.3454000      0.9222000     129.3248      -41.9  
1 1 1 42 4  3  o -0.9204000E-01 0.9224000     83.70702      -79.4  
1 1 1 42 4  4  o 1.023000       0.9154000     104.4229      43.5   
1 1 1 42 4  5  o -0.4184000     0.9158000     17.73844      91.9   
1 1 1 42 4  6  o 1.027000       0.9527000     226.9978      7.4    
1 1 1 42 4  7  o -0.7428000     0.9569000     134.9874      56.5   
1 1 1 42 4  8  o 1.939000       0.9749000     126.6775      66.4   
1 1 1 42 4  9  o 1.175000       0.9950000     166.4198      126.6  
1 1 1 42 4  10 o 0.2330000      1.054000      123.7331      -67.3  
1 1 1 42 4  11 o 1.352000       1.069000      199.0914      15.2   
1 1 1 42 4  12 o 1.425000       1.091000      158.5752      -55.1  
1 1 1 42 4  13 o -0.6028000     1.141000      37.11292      160.6  
1 1 1 42 4  14 o -0.5762000     1.124000      11.47787      -52.7  
1 1 1 42 4  15 o 0.1984000      1.172000      156.5328      -36.2  
1 1 1 42 4  16 o 2.967000       1.358000      272.7727      38.9   
1 1 1 42 4  17 o -2.168000      1.528000      151.6153      -179.9 
1 1 1 42 4  18 o -0.2889000     1.300000      98.14302      -52.5  
1 1 1 42 4  19 o 0.6524000      1.328000      75.95658      -147.0 
1 1 1 42 4  20 o -0.4769000     1.711000      110.2272      33.9   
1 1 1 42 4  21 o 3.183000       1.815000      ?             ?      
1 1 1 42 4  22 o 1.064000       1.330000      ?             ?      
1 1 1 42 4  23 o -0.7804000     1.302000      ?             ?      
1 1 1 42 4  24 o -0.1559000     1.236000      ?             ?      
1 1 1 42 4  25 o 1.087000       1.138000      ?             ?      
1 1 1 42 4  26 o -0.5032000E-01 1.082000      ?             ?      
1 1 1 42 4  27 o 1.005000       1.061000      ?             ?      
1 1 1 42 4  28 o 2.230000       1.026000      ?             ?      
1 1 1 42 4  29 o 0.2602000      0.9800000     ?             ?      
1 1 1 42 4  30 o -0.6629000     0.9269000     ?             ?      
1 1 1 42 4  31 o 0.7514000      0.9269000     ?             ?      
1 1 1 42 4  32 o -0.9784000E-01 0.9106000     ?             ?      
1 1 1 42 4  33 o -0.4765000     0.8942000     ?             ?      
1 1 1 42 4  34 o -0.3915000     0.8948000     ?             ?      
1 1 1 42 4  35 o -1.591000      0.8952000     ?             ?      
1 1 1 42 4  36 o 0.8157000      0.9087000     ?             ?      
1 1 1 42 4  37 o 0.1425000      0.8958000     ?             ?      
1 1 1 42 4  38 o -0.5204000     0.9014000     ?             ?      
1 1 1 42 4  39 o -1.096000      0.9547000     ?             ?      
1 1 1 42 4  40 o 0.8784000      0.9755000     ?             ?      
1 1 1 42 4  41 o -0.2792000     1.112000      ?             ?      
1 1 1 42 4  42 o -1.216000      1.113000      ?             ?      
1 1 1 42 4  43 o 0.4830000      1.010000      ?             ?      
1 1 1 42 4  44 o -1.244000      1.032000      ?             ?      
1 1 1 42 4  45 o 0.2850000      1.150000      ?             ?      
1 1 1 42 4  46 o 0.4323000E-02  1.201000      ?             ?      
1 1 1 42 4  47 o -0.8780000E-01 1.200000      ?             ?      
1 1 1 42 4  48 o 2.483000       1.913000      ?             ?      
1 1 1 42 4  49 o 0.5445000      1.386000      ?             ?      
1 1 1 42 4  50 o 0.2973000      1.520000      ?             ?      
1 1 1 42 5  0  o 1.073000       1.266000      37.96180      -180.0 
1 1 1 42 5  1  o -0.5596000     0.8935000     47.85637      19.5   
1 1 1 42 5  2  o 0.5341000      0.9055000     48.95777      -26.3  
1 1 1 42 5  3  o -0.8034000E-01 0.9053000     66.76616      5.3    
1 1 1 42 5  4  o -0.2576000     0.9071000     90.43802      31.5   
1 1 1 42 5  5  o 1.035000       0.9174000     82.63685      -161.3 
1 1 1 42 5  6  o -0.7269000     0.9455000     88.70033      -140.5 
1 1 1 42 5  7  o 0.8800000      0.9603000     116.7684      87.0   
1 1 1 42 5  8  o -0.3305000     0.9734000     83.09339      -139.2 
1 1 1 42 5  9  o 0.5813000      0.9906000     189.6235      -39.6  
1 1 1 42 5  10 o -0.6827000E-01 1.029000      77.18692      -41.4  
1 1 1 42 5  11 o 2.437000       1.069000      135.4537      25.7   
1 1 1 42 5  12 o 1.003000       1.164000      78.74216      -122.0 
1 1 1 42 5  13 o 0.5780000      1.129000      105.1335      11.8   
1 1 1 42 5  14 o -1.049000      1.126000      39.53857      132.4  
1 1 1 42 5  15 o -0.8734000     1.170000      21.55151      -176.1 
1 1 1 42 5  16 o 2.948000       1.489000      63.52163      55.3   
1 1 1 42 5  17 o 1.969000       1.518000      143.5984      148.0  
1 1 1 42 5  18 o -0.2108000     1.346000      95.22665      -53.6  
1 1 1 42 5  19 o -1.420000      1.742000      71.58128      68.9   
1 1 1 42 5  20 o -1.288000      1.692000      86.97571      -59.5  
1 1 1 42 5  21 o 2.007000       2.469000      ?             ?      
1 1 1 42 5  22 o -0.8119000     1.564000      ?             ?      
1 1 1 42 5  23 o 1.673000       1.329000      ?             ?      
1 1 1 42 5  24 o -2.434000      1.182000      ?             ?      
1 1 1 42 5  25 o -0.6034000     1.063000      ?             ?      
1 1 1 42 5  26 o 0.2559000      1.016000      ?             ?      
1 1 1 42 5  27 o 0.3023000      1.029000      ?             ?      
1 1 1 42 5  28 o 0.8585000      1.036000      ?             ?      
1 1 1 42 5  29 o 0.6936000      1.022000      ?             ?      
1 1 1 42 5  30 o 0.5095000      0.9844000     ?             ?      
1 1 1 42 5  31 o 0.3487000      0.9261000     ?             ?      
1 1 1 42 5  32 o -0.5758000     0.9096000     ?             ?      
1 1 1 42 5  33 o -1.113000      0.8908000     ?             ?      
1 1 1 42 5  34 o -0.1605000     0.8954000     ?             ?      
1 1 1 42 5  35 o 0.1582000      0.9069000     ?             ?      
1 1 1 42 5  36 o -0.3874000     0.9088000     ?             ?      
1 1 1 42 5  37 o 0.7637000      0.9605000     ?             ?      
1 1 1 42 5  38 o -1.058000      0.9501000     ?             ?      
1 1 1 42 5  39 o 0.4521000      1.094000      ?             ?      
1 1 1 42 5  40 o -0.2082000     1.107000      ?             ?      
1 1 1 42 5  41 o 0.3544000      0.9440000     ?             ?      
1 1 1 42 5  42 o 0.5358000      0.9523000     ?             ?      
1 1 1 42 5  43 o 0.7671000E-01  0.9826000     ?             ?      
1 1 1 42 5  44 o 0.7737000      1.006000      ?             ?      
1 1 1 42 5  45 o -0.6109000E-01 1.171000      ?             ?      
1 1 1 42 5  46 o 1.522000       1.312000      ?             ?      
1 1 1 42 5  47 o -1.036000      1.159000      ?             ?      
1 1 1 42 5  48 o 1.138000       1.918000      ?             ?      
1 1 1 42 5  49 o 1.911000       1.495000      ?             ?      
1 1 1 42 5  50 o 0.3379000      1.517000      ?             ?      
1 1 1 42 6  0  o -1.443000      1.271000      56.81669      -0.0   
1 1 1 42 6  1  o -0.4399000E-01 0.9033000     76.27610      62.0   
1 1 1 42 6  2  o -0.1566000     0.9001000     40.27987      114.0  
1 1 1 42 6  3  o 0.7689000      0.9101000     76.10610      -173.6 
1 1 1 42 6  4  o 1.508000       0.9190000     120.6109      -2.5   
1 1 1 42 6  5  o 0.8375000      0.9317000     87.39571      134.9  
1 1 1 42 6  6  o 0.1389000      0.9431000     54.01829      10.4   
1 1 1 42 6  7  o 0.7493000      0.9576000     14.13827      -179.9 
1 1 1 42 6  8  o -1.020000      0.9642000     57.77127      21.1   
1 1 1 42 6  9  o 0.8880000      0.9763000     23.22284      -115.5 
1 1 1 42 6  10 o -0.3702000     1.014000      79.81385      73.6   
1 1 1 42 6  11 o -0.3614000     1.048000      62.12624      -3.0   
1 1 1 42 6  12 o -0.2614000     1.153000      30.70610      126.9  
1 1 1 42 6  13 o 1.570000       1.129000      79.08093      -138.4 
1 1 1 42 6  14 o 1.710000       1.144000      84.50456      120.8  
1 1 1 42 6  15 o -0.6810000     1.171000      23.14475      -162.2 
1 1 1 42 6  16 o 0.9579000      1.469000      32.39200      -16.2  
1 1 1 42 6  17 o 0.6600000      1.491000      148.6957      -151.3 
1 1 1 42 6  18 o 2.692000       1.937000      3.088521      64.2   
1 1 1 42 6  19 o 2.937000       1.707000      157.9273      87.7   
1 1 1 42 6  20 o -0.7095000     1.609000      32.55371      -25.3  
1 1 1 42 6  21 o 0.5708000      1.582000      ?             ?      
1 1 1 42 6  22 o -0.4238000     1.347000      ?             ?      
1 1 1 42 6  23 o -1.189000      1.197000      ?             ?      
1 1 1 42 6  24 o -0.6704000E-01 1.073000      ?             ?      
1 1 1 42 6  25 o 0.1791000      1.053000      ?             ?      
1 1 1 42 6  26 o -1.437000      1.003000      ?             ?      
1 1 1 42 6  27 o 1.148000       1.064000      ?             ?      
1 1 1 42 6  28 o 0.2586000      1.027000      ?             ?      
1 1 1 42 6  29 o 1.499000       1.013000      ?             ?      
1 1 1 42 6  30 o -0.4702000     0.9760000     ?             ?      
1 1 1 42 6  31 o 0.3886000      0.9291000     ?             ?      
1 1 1 42 6  32 o -0.2181000     0.9057000     ?             ?      
1 1 1 42 6  33 o -0.9201000     0.8954000     ?             ?      
1 1 1 42 6  34 o 0.2777000      0.9386000     ?             ?      
1 1 1 42 6  35 o 2.098000       0.9605000     ?             ?      
1 1 1 42 6  36 o 0.3720000      1.089000      ?             ?      
1 1 1 42 6  37 o 0.6220000      1.100000      ?             ?      
1 1 1 42 6  38 o -2.084000      0.9150000     ?             ?      
1 1 1 42 6  39 o 0.7877000      0.9082000     ?             ?      
1 1 1 42 6  40 o -0.6893000E-01 0.9180000     ?             ?      
1 1 1 42 6  41 o 0.2864000      0.9397000     ?             ?      
1 1 1 42 6  42 o -0.2113000     0.9714000     ?             ?      
1 1 1 42 6  43 o -0.5045000     0.9832000     ?             ?      
1 1 1 42 6  44 o 0.2977000E-01  1.123000      ?             ?      
1 1 1 42 6  45 o 0.3245000      1.150000      ?             ?      
1 1 1 42 6  46 o -0.5643000     1.133000      ?             ?      
1 1 1 42 6  47 o -1.355000      1.139000      ?             ?      
1 1 1 42 6  48 o -0.5772000     2.080000      ?             ?      
1 1 1 42 6  49 o 0.4331000E-01  1.322000      ?             ?      
1 1 1 42 6  50 o 0.1440000      1.204000      ?             ?      
1 1 1 42 7  0  o -0.8732000     1.265000      29.52970      180.0  
1 1 1 42 7  1  o -1.494000      0.9016000     31.07960      -92.6  
1 1 1 42 7  2  o 0.2726000      0.9063000     142.7394      178.9  
1 1 1 42 7  3  o 0.1218000E-01  0.9227000     67.38415      22.7   
1 1 1 42 7  4  o -2.213000      0.9148000     28.18478      38.4   
1 1 1 42 7  5  o 0.5535000      0.9352000     100.1571      -145.4 
1 1 1 42 7  6  o -1.758000      0.9452000     20.44794      -164.7 
1 1 1 42 7  7  o 1.089000       0.9569000     111.3513      53.2   
1 1 1 42 7  8  o -0.7578000     0.9632000     98.10616      -42.6  
1 1 1 42 7  9  o -0.4715000     0.9565000     34.42815      86.2   
1 1 1 42 7  10 o 0.9995000      0.9715000     62.37061      -115.4 
1 1 1 42 7  11 o 0.3911000      1.134000      53.95910      -67.8  
1 1 1 42 7  12 o -0.1376000     1.112000      61.37766      -153.4 
1 1 1 42 7  13 o 1.919000       1.137000      63.98067      80.8   
1 1 1 42 7  14 o -0.7059000     1.132000      54.86809      -152.1 
1 1 1 42 7  15 o -1.001000      1.230000      54.13597      -79.8  
1 1 1 42 7  16 o 0.4449000      1.283000      13.51856      -71.6  
1 1 1 42 7  17 o 0.7428000      1.577000      112.7228      165.9  
1 1 1 42 7  18 o 0.1950000      2.023000      17.87378      167.1  
1 1 1 42 7  19 o 0.6087000      1.770000      61.57835      71.8   
1 1 1 42 7  20 o 0.2844000      1.485000      ?             ?      
1 1 1 42 7  21 o -0.8711000     1.430000      ?             ?      
1 1 1 42 7  22 o 3.403000       1.201000      ?             ?      
1 1 1 42 7  23 o 0.9452000      1.078000      ?             ?      
1 1 1 42 7  24 o -1.588000      1.061000      ?             ?      
1 1 1 42 7  25 o -0.1774000     1.049000      ?             ?      
1 1 1 42 7  26 o -0.6889000     0.9768000     ?             ?      
1 1 1 42 7  27 o -0.5023000     0.9977000     ?             ?      
1 1 1 42 7  28 o -0.7419000     1.016000      ?             ?      
1 1 1 42 7  29 o -0.9692000     1.012000      ?             ?      
1 1 1 42 7  30 o -0.8198000     0.9908000     ?             ?      
1 1 1 42 7  31 o -1.412000      0.9620000     ?             ?      
1 1 1 42 7  32 o -0.9218000     0.9462000     ?             ?      
1 1 1 42 7  33 o 0.4767000      0.9483000     ?             ?      
1 1 1 42 7  34 o -0.7519000E-02 1.076000      ?             ?      
1 1 1 42 7  35 o -0.5740000     1.066000      ?             ?      
1 1 1 42 7  36 o -0.4131000     0.9051000     ?             ?      
1 1 1 42 7  37 o 1.051000       0.9089000     ?             ?      
1 1 1 42 7  38 o 0.9963000E-01  0.9081000     ?             ?      
1 1 1 42 7  39 o 1.487000       0.9268000     ?             ?      
1 1 1 42 7  40 o 1.149000       0.9283000     ?             ?      
1 1 1 42 7  41 o 1.053000       0.9342000     ?             ?      
1 1 1 42 7  42 o -0.3497000     0.9586000     ?             ?      
1 1 1 42 7  43 o -1.266000      0.9745000     ?             ?      
1 1 1 42 7  44 o -1.305000      1.110000      ?             ?      
1 1 1 42 7  45 o 0.2004000      1.174000      ?             ?      
1 1 1 42 7  46 o 1.281000       1.131000      ?             ?      
1 1 1 42 7  47 o -0.1052000     1.185000      ?             ?      
1 1 1 42 7  48 o -1.863000      1.107000      ?             ?      
1 1 1 42 7  49 o -1.659000      1.279000      ?             ?      
1 1 1 42 7  50 o -0.1883000     2.079000      ?             ?      
1 1 1 42 8  0  o 0.5602000      1.279000      78.43014      0.0    
1 1 1 42 8  1  f -0.5549000     0.9044000     54.47563      -132.4 
1 1 1 42 8  2  o 1.173000       0.9106000     39.19167      143.5  
1 1 1 42 8  3  o -0.5295000     0.9158000     155.0827      -105.8 
1 1 1 42 8  4  o 0.1687000      0.9422000     65.57719      -1.2   
1 1 1 42 8  5  o -0.8741000     0.9480000     114.0137      126.4  
1 1 1 42 8  6  o 0.5238000      0.9502000     49.94235      115.7  
1 1 1 42 8  7  o 0.3218000      0.9637000     53.39298      -78.5  
1 1 1 42 8  8  o -1.079000      0.9638000     14.73575      -46.8  
1 1 1 42 8  9  o -0.4725000     0.9645000     31.08012      55.3   
1 1 1 42 8  10 o 0.3222000      0.9782000     32.81007      108.5  
1 1 1 42 8  11 o 0.1654000      1.101000      49.66599      -40.8  
1 1 1 42 8  12 o 0.8819000      1.106000      34.40830      90.8   
1 1 1 42 8  13 o 0.1409000E-01  1.133000      55.38529      -125.3 
1 1 1 42 8  14 o 1.070000       1.217000      44.79621      133.3  
1 1 1 42 8  15 o -2.163000      1.293000      33.26336      -77.3  
1 1 1 42 8  16 o -1.162000      1.369000      41.10913      -149.4 
1 1 1 42 8  17 o 1.055000       1.913000      120.6842      178.4  
1 1 1 42 8  18 o 0.3201000      1.410000      14.68749      90.0   
1 1 1 42 8  19 o -2.324000      2.367000      68.35264      71.1   
1 1 1 42 8  20 o 0.1778000      1.539000      ?             ?      
1 1 1 42 8  21 o 0.2490000      1.299000      ?             ?      
1 1 1 42 8  22 o -0.2859000     1.150000      ?             ?      
1 1 1 42 8  23 o 0.9251000      1.055000      ?             ?      
1 1 1 42 8  24 o 0.3404000      1.020000      ?             ?      
1 1 1 42 8  25 o -0.8481000     1.041000      ?             ?      
1 1 1 42 8  26 o 0.2567000      0.9739000     ?             ?      
1 1 1 42 8  27 o -1.621000      0.9592000     ?             ?      
1 1 1 42 8  28 o -1.650000      0.9900000     ?             ?      
1 1 1 42 8  29 o -1.750000      1.044000      ?             ?      
1 1 1 42 8  30 o -0.7577000     1.052000      ?             ?      
1 1 1 42 8  31 o -0.8152000E-01 1.019000      ?             ?      
1 1 1 42 8  32 o 0.6133000      1.090000      ?             ?      
1 1 1 42 8  33 o 1.375000       0.9114000     ?             ?      
1 1 1 42 8  34 o -0.3360000     0.9081000     ?             ?      
1 1 1 42 8  35 o -0.2511000     0.9020000     ?             ?      
1 1 1 42 8  36 o 0.4352000E-01  0.8975000     ?             ?      
1 1 1 42 8  37 o -0.8658000     0.8955000     ?             ?      
1 1 1 42 8  38 o 0.1586000      0.8948000     ?             ?      
1 1 1 42 8  39 o 0.5380000      0.9143000     ?             ?      
1 1 1 42 8  40 f -1.518000      0.9190000     ?             ?      
1 1 1 42 8  41 o 0.5852000      0.9505000     ?             ?      
1 1 1 42 8  42 o -0.7938000     0.9556000     ?             ?      
1 1 1 42 8  43 o -0.4271000     0.9676000     ?             ?      
1 1 1 42 8  44 o -0.3847000     1.118000      ?             ?      
1 1 1 42 8  45 o 0.8628000      1.225000      ?             ?      
1 1 1 42 8  46 o -0.2781000     1.117000      ?             ?      
1 1 1 42 8  47 o 0.7586000      1.132000      ?             ?      
1 1 1 42 8  48 o -1.148000      1.094000      ?             ?      
1 1 1 42 8  49 o -0.8506000     1.272000      ?             ?      
1 1 1 42 8  50 o 3.914000       2.613000      ?             ?      
1 1 1 42 9  0  o -0.6274000     1.286000      86.53368      180.0  
1 1 1 42 9  1  o -0.8692000     0.9089000     67.50806      -148.1 
1 1 1 42 9  2  o -0.2587000     0.9142000     28.27030      104.9  
1 1 1 42 9  3  o -0.7153000     0.9217000     32.41647      41.1   
1 1 1 42 9  4  o 0.1265000      0.9469000     11.72630      -91.4  
1 1 1 42 9  5  o -0.2175000     0.9455000     39.50079      143.9  
1 1 1 42 9  6  o -0.2234000     0.9476000     50.61589      -72.4  
1 1 1 42 9  7  o 0.8116000      0.9583000     32.93496      -56.4  
1 1 1 42 9  8  o -1.624000      0.9505000     38.15888      65.7   
1 1 1 42 9  9  o -0.6792000     0.9802000     17.16041      139.7  
1 1 1 42 9  10 o -0.4628000E-01 1.124000      31.88731      -133.9 
1 1 1 42 9  11 o 0.1464000      1.040000      33.77606      157.8  
1 1 1 42 9  12 o 0.3684000      1.152000      32.76797      49.9   
1 1 1 42 9  13 o -1.487000      1.242000      17.90358      -48.8  
1 1 1 42 9  14 o -0.5200000     1.242000      70.26996      -109.4 
1 1 1 42 9  15 o 0.7361000      1.268000      19.44830      69.8   
1 1 1 42 9  16 o -0.7733000     1.465000      48.88834      -136.9 
1 1 1 42 9  17 o -1.202000      1.890000      32.36371      175.3  
1 1 1 42 9  18 o -2.512000      2.603000      0.7762380     -90.0  
1 1 1 42 9  19 o 0.5881000      2.380000      ?             ?      
1 1 1 42 9  20 o 0.8768000      2.239000      ?             ?      
1 1 1 42 9  21 o -1.313000      1.315000      ?             ?      
1 1 1 42 9  22 o 1.219000       1.074000      ?             ?      
1 1 1 42 9  23 o 0.6210000E-01  1.049000      ?             ?      
1 1 1 42 9  24 o -0.5695000     1.031000      ?             ?      
1 1 1 42 9  25 o -0.9517000     1.022000      ?             ?      
1 1 1 42 9  26 o -0.3048000     1.017000      ?             ?      
1 1 1 42 9  27 o -0.9728000     1.004000      ?             ?      
1 1 1 42 9  28 o -0.7278000     1.052000      ?             ?      
1 1 1 42 9  29 o -1.086000      1.292000      ?             ?      
1 1 1 42 9  30 o 0.8355000      1.268000      ?             ?      
1 1 1 42 9  31 o 0.1053000      0.9981000     ?             ?      
1 1 1 42 9  32 o -1.229000      0.9580000     ?             ?      
1 1 1 42 9  33 o -0.8900000     0.8994000     ?             ?      
1 1 1 42 9  34 o -0.2653000     0.9064000     ?             ?      
1 1 1 42 9  35 o -0.1555000     0.9020000     ?             ?      
1 1 1 42 9  36 o 1.015000       0.9010000     ?             ?      
1 1 1 42 9  37 o 0.3836000      0.8946000     ?             ?      
1 1 1 42 9  38 o -0.3447000     0.8976000     ?             ?      
1 1 1 42 9  39 o -1.327000      0.9147000     ?             ?      
1 1 1 42 9  40 o -0.2712000     0.9260000     ?             ?      
1 1 1 42 9  41 o -0.2615000E-01 0.9579000     ?             ?      
1 1 1 42 9  42 o 0.4556000      0.9560000     ?             ?      
1 1 1 42 9  43 o 1.818000       1.112000      ?             ?      
1 1 1 42 9  44 o -0.5446000E-01 1.138000      ?             ?      
1 1 1 42 9  45 o -0.4060000     1.097000      ?             ?      
1 1 1 42 9  46 o -0.3187000     1.146000      ?             ?      
1 1 1 42 9  47 o 1.068000       1.082000      ?             ?      
1 1 1 42 9  48 o 1.402000       1.040000      ?             ?      
1 1 1 42 9  49 o -1.782000      1.289000      ?             ?      
1 1 1 42 10 0  o 1.569000       1.286000      10.89294      -180.0 
1 1 1 42 10 1  o 1.627000       0.9111000     59.21214      -138.3 
1 1 1 42 10 2  o 0.1597000      0.9143000     24.20785      48.9   
1 1 1 42 10 3  o 0.5677000      0.9352000     37.38578      -158.6 
1 1 1 42 10 4  o 1.020000       0.9361000     37.72036      75.8   
1 1 1 42 10 5  o -1.521000      0.9505000     19.44101      -6.7   
1 1 1 42 10 6  o -0.4734000     0.9693000     17.76284      25.1   
1 1 1 42 10 7  o -1.273000      0.9795000     26.62852      45.2   
1 1 1 42 10 8  o -1.124000      0.9583000     14.00476      50.9   
1 1 1 42 10 9  o -0.3753000     0.9688000     38.95816      -158.2 
1 1 1 42 10 10 o 1.672000       1.087000      28.46291      -133.6 
1 1 1 42 10 11 o -1.012000      1.102000      52.85760      41.9   
1 1 1 42 10 12 o -0.4229000     1.220000      39.28779      -32.1  
1 1 1 42 10 13 o 0.2558000      1.222000      12.66509      -131.0 
1 1 1 42 10 14 o -0.2349000     1.254000      22.68852      95.4   
1 1 1 42 10 15 o 0.3946000      1.486000      40.07381      13.6   
1 1 1 42 10 16 o 2.025000       1.829000      46.27062      177.9  
1 1 1 42 10 17 o -0.4479000     1.914000      17.39280      82.2   
1 1 1 42 10 18 o -2.959000      2.365000      17.41062      28.2   
1 1 1 42 10 19 o -1.415000      2.264000      ?             ?      
1 1 1 42 10 20 o -0.1657000     1.661000      ?             ?      
1 1 1 42 10 21 o 0.2540000      1.573000      ?             ?      
1 1 1 42 10 22 o 0.1892000      1.055000      ?             ?      
1 1 1 42 10 23 o -0.9322000     1.032000      ?             ?      
1 1 1 42 10 24 o -0.2254000     1.025000      ?             ?      
1 1 1 42 10 25 o -1.484000      1.011000      ?             ?      
1 1 1 42 10 26 o -1.701000      1.027000      ?             ?      
1 1 1 42 10 27 o 0.7192000      1.094000      ?             ?      
1 1 1 42 10 28 o -0.1431000     0.9607000     ?             ?      
1 1 1 42 10 29 o 0.9438000      0.9806000     ?             ?      
1 1 1 42 10 30 o -0.9422000     0.9951000     ?             ?      
1 1 1 42 10 31 o 0.4996000      0.9891000     ?             ?      
1 1 1 42 10 32 o -0.5339000     0.9857000     ?             ?      
1 1 1 42 10 33 o -1.620000      0.9058000     ?             ?      
1 1 1 42 10 34 o -0.8013000     0.9087000     ?             ?      
1 1 1 42 10 35 o 0.4630000      0.9016000     ?             ?      
1 1 1 42 10 36 o -0.1504000     0.8956000     ?             ?      
1 1 1 42 10 37 o 0.4604000      0.9026000     ?             ?      
1 1 1 42 10 38 o -0.2662000     0.8962000     ?             ?      
1 1 1 42 10 39 o -1.537000      0.9075000     ?             ?      
1 1 1 42 10 40 o 1.697000       0.9533000     ?             ?      
1 1 1 42 10 41 o 1.260000       0.9613000     ?             ?      
1 1 1 42 10 42 o 0.9645000      0.9785000     ?             ?      
1 1 1 42 10 43 o 0.2115000      1.115000      ?             ?      
1 1 1 42 10 44 o -0.2296000     1.147000      ?             ?      
1 1 1 42 10 45 f -1.427000      1.073000      ?             ?      
1 1 1 42 10 46 o 0.4066000      1.102000      ?             ?      
1 1 1 42 10 47 o -0.8390000     1.063000      ?             ?      
1 1 1 42 10 48 o -0.7465000     1.022000      ?             ?      
1 1 1 42 10 49 o 1.449000       2.045000      ?             ?      
1 1 1 42 11 0  o 1.033000       1.280000      25.38812      -180.0 
1 1 1 42 11 1  o -0.3001000     0.9077000     14.98180      -158.3 
1 1 1 42 11 2  o 2.200000       0.9380000     23.61659      -178.4 
1 1 1 42 11 3  o -1.948000      0.9609000     17.93182      116.0  
1 1 1 42 11 4  o -1.418000      0.9662000     22.77581      -39.0  
1 1 1 42 11 5  f 0.7404000      0.9371000     34.89156      -171.7 
1 1 1 42 11 6  o -1.745000      0.9373000     11.83960      58.9   
1 1 1 42 11 7  o 1.534000       1.012000      16.90922      115.7  
1 1 1 42 11 8  o -1.555000      1.025000      31.50564      -134.8 
1 1 1 42 11 9  o -0.3983000     1.098000      53.58091      -48.0  
1 1 1 42 11 10 o 0.5222000      1.048000      30.18522      118.8  
1 1 1 42 11 11 o 0.8868000      1.055000      13.94715      -88.0  
1 1 1 42 11 12 o -1.182000      1.213000      25.54915      53.1   
1 1 1 42 11 13 o -0.8323000     1.218000      31.05461      -97.9  
1 1 1 42 11 14 o 0.2951000      1.502000      20.81197      -172.1 
1 1 1 42 11 15 o -0.7832000     1.473000      16.82325      121.8  
1 1 1 42 11 16 o 0.9548000      1.870000      22.48945      176.1  
1 1 1 42 11 17 o -0.8109000     1.650000      37.11979      48.4   
1 1 1 42 11 18 o -1.358000      2.340000      ?             ?      
1 1 1 42 11 19 o -0.4273000     1.649000      ?             ?      
1 1 1 42 11 20 o -2.239000      1.610000      ?             ?      
1 1 1 42 11 21 o -0.6128000     1.283000      ?             ?      
1 1 1 42 11 22 o 0.3637000      1.143000      ?             ?      
1 1 1 42 11 23 o -0.9538000     1.030000      ?             ?      
1 1 1 42 11 24 o -1.025000      1.118000      ?             ?      
1 1 1 42 11 25 o -0.5228000     1.120000      ?             ?      
1 1 1 42 11 26 o -0.4786000     1.041000      ?             ?      
1 1 1 42 11 27 o -0.4950000     0.9584000     ?             ?      
1 1 1 42 11 28 o 0.3355000      0.9532000     ?             ?      
1 1 1 42 11 29 o -1.601000      0.9786000     ?             ?      
1 1 1 42 11 30 o -0.4978000E-01 1.038000      ?             ?      
1 1 1 42 11 31 o -0.8269000     0.9764000     ?             ?      
1 1 1 42 11 32 o -0.3944000     0.9748000     ?             ?      
1 1 1 42 11 33 o 0.1395000      0.9596000     ?             ?      
1 1 1 42 11 34 o -0.1930000     0.9038000     ?             ?      
1 1 1 42 11 35 o 0.2877000      0.9020000     ?             ?      
1 1 1 42 11 36 o -0.6568000E-01 0.9027000     ?             ?      
1 1 1 42 11 37 o -0.4427000     0.9007000     ?             ?      
1 1 1 42 11 38 o -0.4705000E-01 0.9046000     ?             ?      
1 1 1 42 11 39 o 0.5924000      0.9346000     ?             ?      
1 1 1 42 11 40 o -0.4595000     0.9527000     ?             ?      
1 1 1 42 11 41 o -0.4924000     0.9485000     ?             ?      
1 1 1 42 11 42 o -0.5339000     0.9786000     ?             ?      
1 1 1 42 11 43 o 1.091000       1.149000      ?             ?      
1 1 1 42 11 44 o -0.2470000     1.176000      ?             ?      
1 1 1 42 11 45 o -1.408000      1.075000      ?             ?      
1 1 1 42 11 46 o 0.3496000      1.051000      ?             ?      
1 1 1 42 11 47 o -0.1019000     1.012000      ?             ?      
1 1 1 42 11 48 o -0.2453000     1.422000      ?             ?      
1 1 1 42 11 49 o 0.9204000      1.304000      ?             ?      
1 1 1 42 12 0  o -1.449000      1.275000      15.09865      -180.0 
1 1 1 42 12 1  o 0.3984000      0.9303000     34.63255      -86.1  
1 1 1 42 12 2  o 1.004000       0.9586000     25.78719      165.6  
1 1 1 42 12 3  o -0.2634000     0.9352000     15.74035      -109.1 
1 1 1 42 12 4  o -0.6285000     0.9388000     33.64676      -94.7  
1 1 1 42 12 5  o -0.6855000     1.016000      11.36900      17.3   
1 1 1 42 12 6  o -2.266000      1.081000      33.05055      -64.6  
1 1 1 42 12 7  o 0.2315000      0.9717000     24.45384      98.6   
1 1 1 42 12 8  o -1.626000      0.9580000     37.03735      130.6  
1 1 1 42 12 9  o -0.6065000     1.044000      62.01923      -107.4 
1 1 1 42 12 10 o -1.075000      1.047000      47.41969      61.1   
1 1 1 42 12 11 o 0.1998000      1.126000      43.12783      103.4  
1 1 1 42 12 12 o 1.165000       1.142000      30.21325      -2.6   
1 1 1 42 12 13 o -1.956000      1.468000      34.15659      153.4  
1 1 1 42 12 14 o 0.2759000      1.499000      32.42555      15.8   
1 1 1 42 12 15 o -1.097000      1.479000      34.22555      -1.4   
1 1 1 42 12 16 o 1.484000       1.604000      36.57411      -168.2 
1 1 1 42 12 17 o -2.629000      2.335000      ?             ?      
1 1 1 42 12 18 o -1.417000      1.666000      ?             ?      
1 1 1 42 12 19 o 2.204000       1.606000      ?             ?      
1 1 1 42 12 20 o 1.124000       1.600000      ?             ?      
1 1 1 42 12 21 f -1.129000      1.265000      ?             ?      
1 1 1 42 12 22 o 0.2280000      1.301000      ?             ?      
1 1 1 42 12 23 o 0.1166000      1.164000      ?             ?      
1 1 1 42 12 24 o -0.2174000     1.015000      ?             ?      
1 1 1 42 12 25 o 0.9246000      1.008000      ?             ?      
1 1 1 42 12 26 o 0.5297000E-01  1.004000      ?             ?      
1 1 1 42 12 27 o 0.4439000      0.9646000     ?             ?      
1 1 1 42 12 28 o 0.4835000      0.9557000     ?             ?      
1 1 1 42 12 29 o 1.399000       0.9522000     ?             ?      
1 1 1 42 12 30 o 1.149000       0.9803000     ?             ?      
1 1 1 42 12 31 o -1.977000      0.9900000     ?             ?      
1 1 1 42 12 32 o -0.8743000     0.9825000     ?             ?      
1 1 1 42 12 33 o 0.3019000E-02  0.9925000     ?             ?      
1 1 1 42 12 34 o -0.6270000E-01 0.9680000     ?             ?      
1 1 1 42 12 35 o -0.6064000     0.9041000     ?             ?      
1 1 1 42 12 36 o -0.4567000     0.9050000     ?             ?      
1 1 1 42 12 37 o 1.302000       0.9072000     ?             ?      
1 1 1 42 12 38 o -0.7720000     0.9122000     ?             ?      
1 1 1 42 12 39 o -0.4671000     0.9348000     ?             ?      
1 1 1 42 12 40 o 0.1735000      0.9411000     ?             ?      
1 1 1 42 12 41 o -0.3629000     0.9564000     ?             ?      
1 1 1 42 12 42 o 0.7579000      1.100000      ?             ?      
1 1 1 42 12 43 o -0.1312000E-02 1.127000      ?             ?      
1 1 1 42 12 44 o -0.7524000     1.075000      ?             ?      
1 1 1 42 12 45 o 0.5840000E-01  1.057000      ?             ?      
1 1 1 42 12 46 o -1.079000      1.033000      ?             ?      
1 1 1 42 12 47 o 0.9082000      1.002000      ?             ?      
1 1 1 42 12 48 o -1.335000      1.012000      ?             ?      
1 1 1 42 13 0  o -0.2845000     1.290000      12.94846      180.0  
1 1 1 42 13 1  o -0.3268000     0.9599000     30.21208      -179.7 
1 1 1 42 13 2  o 0.8322000E-01  1.055000      19.24576      -101.7 
1 1 1 42 13 3  o -0.6513000     1.097000      48.20462      -43.4  
1 1 1 42 13 4  o 0.1798000      0.9761000     19.07762      -134.2 
1 1 1 42 13 5  o 0.9148000      0.9377000     83.70402      -3.3   
1 1 1 42 13 6  o 0.2413000E-02  0.9487000     68.05819      -59.3  
1 1 1 42 13 7  o 0.9166000      0.9418000     22.37873      -78.3  
1 1 1 42 13 8  o 0.6143000E-01  0.9740000     16.04941      -174.8 
1 1 1 42 13 9  o 1.171000       1.042000      19.87225      -140.5 
1 1 1 42 13 10 o -0.2499000     1.118000      94.00593      100.6  
1 1 1 42 13 11 o 0.7490000E-01  1.129000      9.409001      9.7    
1 1 1 42 13 12 o -1.284000      1.145000      27.29155      -120.0 
1 1 1 42 13 13 o 1.812000       1.516000      48.90375      134.8  
1 1 1 42 13 14 o 1.069000       1.492000      38.67297      104.1  
1 1 1 42 13 15 o 0.9449000      1.442000      42.65638      -14.8  
1 1 1 42 13 16 o -0.6982000E-01 1.654000      ?             ?      
1 1 1 42 13 17 o -1.211000      2.361000      ?             ?      
1 1 1 42 13 18 o -0.2583000     1.586000      ?             ?      
1 1 1 42 13 19 o -0.6152000     1.565000      ?             ?      
1 1 1 42 13 20 o -0.9851000     1.325000      ?             ?      
1 1 1 42 13 21 o 0.8476000      1.278000      ?             ?      
1 1 1 42 13 22 o 1.399000       1.165000      ?             ?      
1 1 1 42 13 23 o 1.095000       1.181000      ?             ?      
1 1 1 42 13 24 o 0.9016000      1.034000      ?             ?      
1 1 1 42 13 25 o -0.6478000     0.9948000     ?             ?      
1 1 1 42 13 26 o -0.8096000     0.9955000     ?             ?      
1 1 1 42 13 27 o -0.6259000     0.9649000     ?             ?      
1 1 1 42 13 28 f 0.2273000      0.9491000     ?             ?      
1 1 1 42 13 29 o -0.7247000     0.9421000     ?             ?      
1 1 1 42 13 30 o -0.6540000     0.9469000     ?             ?      
1 1 1 42 13 31 o -0.4480000     1.040000      ?             ?      
1 1 1 42 13 32 o -0.7901000     1.003000      ?             ?      
1 1 1 42 13 33 o 0.9864000      1.009000      ?             ?      
1 1 1 42 13 34 o -0.4728000     0.9845000     ?             ?      
1 1 1 42 13 35 o 0.2708000      0.9092000     ?             ?      
1 1 1 42 13 36 o -0.4823000     0.8995000     ?             ?      
1 1 1 42 13 37 o 0.6215000      0.9115000     ?             ?      
1 1 1 42 13 38 o -1.293000      0.9256000     ?             ?      
1 1 1 42 13 39 o 1.498000       0.9336000     ?             ?      
1 1 1 42 13 40 o 0.3315000      0.9438000     ?             ?      
1 1 1 42 13 41 o -0.6108000E-02 0.9511000     ?             ?      
1 1 1 42 13 42 o -0.9377000     1.110000      ?             ?      
1 1 1 42 13 43 o -0.5476000     1.148000      ?             ?      
1 1 1 42 13 44 o -0.6250000     1.097000      ?             ?      
1 1 1 42 13 45 o -0.9462000     1.091000      ?             ?      
1 1 1 42 13 46 o 0.1755000      0.9959000     ?             ?      
1 1 1 42 13 47 o -0.6351000     1.005000      ?             ?      
1 1 1 42 13 48 o 0.2947000      1.045000      ?             ?      
1 1 1 42 14 0  o 0.2505000      1.711000      36.68539      0.0    
1 1 1 42 14 1  o 0.2238000      1.066000      143.6263      -56.1  
1 1 1 42 14 2  o 0.8640000      0.9372000     42.50000      -169.3 
1 1 1 42 14 3  o -0.4355000     0.9584000     37.21264      -33.3  
1 1 1 42 14 4  o -1.786000      0.9584000     56.59911      42.3   
1 1 1 42 14 5  o -1.445000      0.9420000     59.00793      46.9   
1 1 1 42 14 6  o -1.303000      0.9276000     19.08974      22.3   
1 1 1 42 14 7  o 0.1232000      0.9395000     22.20357      -66.7  
1 1 1 42 14 8  o 0.5238000      1.062000      94.66306      -161.2 
1 1 1 42 14 9  o 0.5445000      1.116000      24.85729      -128.5 
1 1 1 42 14 10 o -0.6157000     1.127000      9.451812      50.5   
1 1 1 42 14 11 o 1.697000       1.160000      60.13667      157.7  
1 1 1 42 14 12 o -0.1235000     1.310000      44.13005      -90.3  
1 1 1 42 14 13 o -1.622000      1.520000      63.26910      -150.5 
1 1 1 42 14 14 o -1.536000      1.677000      27.50311      -95.7  
1 1 1 42 14 15 o -1.928000      1.436000      ?             ?      
1 1 1 42 14 16 o -1.599000      2.267000      ?             ?      
1 1 1 42 14 17 o -2.064000      1.588000      ?             ?      
1 1 1 42 14 18 o 0.5023000      1.563000      ?             ?      
1 1 1 42 14 19 o 1.941000       1.565000      ?             ?      
1 1 1 42 14 20 o -0.4603000     1.304000      ?             ?      
1 1 1 42 14 21 o -1.145000      1.288000      ?             ?      
1 1 1 42 14 22 o 1.049000       1.339000      ?             ?      
1 1 1 42 14 23 o -2.098000      1.136000      ?             ?      
1 1 1 42 14 24 o 1.495000       1.118000      ?             ?      
1 1 1 42 14 25 o 0.2244000      1.005000      ?             ?      
1 1 1 42 14 26 o 0.1666000E-01  0.9891000     ?             ?      
1 1 1 42 14 27 o -0.4260000     0.9402000     ?             ?      
1 1 1 42 14 28 o -1.928000      0.9449000     ?             ?      
1 1 1 42 14 29 o 0.7049000      0.9426000     ?             ?      
1 1 1 42 14 30 o -0.9958000E-01 0.9452000     ?             ?      
1 1 1 42 14 31 o 1.269000       0.9990000     ?             ?      
1 1 1 42 14 32 o -0.9376000     1.018000      ?             ?      
1 1 1 42 14 33 o 0.4485000      1.018000      ?             ?      
1 1 1 42 14 34 o 1.730000       1.001000      ?             ?      
1 1 1 42 14 35 o -0.1157000     0.9745000     ?             ?      
1 1 1 42 14 36 o 0.8632000E-01  0.9094000     ?             ?      
1 1 1 42 14 37 o 0.5648000E-01  0.9115000     ?             ?      
1 1 1 42 14 38 o -0.3131000     0.9320000     ?             ?      
1 1 1 42 14 39 o 0.7438000      0.9673000     ?             ?      
1 1 1 42 14 40 o 0.3227000E-01  0.9614000     ?             ?      
1 1 1 42 14 41 o -0.5154000     1.093000      ?             ?      
1 1 1 42 14 42 o -0.1006000     1.128000      ?             ?      
1 1 1 42 14 43 o 0.6120000      1.098000      ?             ?      
1 1 1 42 14 44 f -0.1458000     1.088000      ?             ?      
1 1 1 42 14 45 o -0.1561000     1.044000      ?             ?      
1 1 1 42 14 46 o 0.3419000      1.005000      ?             ?      
1 1 1 42 14 47 o 0.1012000      1.005000      ?             ?      
1 1 1 42 14 48 o 2.930000       1.428000      ?             ?      
1 1 1 42 15 0  o 1.362000       1.344000      108.2553      0.0    
1 1 1 42 15 1  o 0.3759000      0.9976000     72.41644      151.3  
1 1 1 42 15 2  o 2.006000       1.110000      55.55799      70.5   
1 1 1 42 15 3  o 1.413000       1.008000      74.11726      -111.7 
1 1 1 42 15 4  o 0.4213000E-01  0.9419000     69.88460      116.6  
1 1 1 42 15 5  o -0.9630000E-02 0.9514000     105.2259      0.8    
1 1 1 42 15 6  o -1.643000      0.9663000     30.62926      -80.7  
1 1 1 42 15 7  o 0.9506000      0.9955000     58.01582      -90.3  
1 1 1 42 15 8  o -1.106000      1.107000      39.27408      113.3  
1 1 1 42 15 9  o -2.352000      1.118000      52.59892      7.0    
1 1 1 42 15 10 o 1.176000       1.184000      94.23638      110.1  
1 1 1 42 15 11 o 0.2055000      1.341000      99.22489      -19.4  
1 1 1 42 15 12 o 0.4650000      1.335000      74.89684      -142.7 
1 1 1 42 15 13 o -1.701000      1.547000      ?             ?      
1 1 1 42 15 14 o -0.2015000     1.517000      ?             ?      
1 1 1 42 15 15 o -1.790000      1.524000      ?             ?      
1 1 1 42 15 16 o -0.3119000     1.639000      ?             ?      
1 1 1 42 15 17 o 1.365000       1.586000      ?             ?      
1 1 1 42 15 18 o -0.1499000     1.561000      ?             ?      
1 1 1 42 15 19 o 0.9774000      1.547000      ?             ?      
1 1 1 42 15 20 o 1.141000       1.291000      ?             ?      
1 1 1 42 15 21 o -1.079000      1.300000      ?             ?      
1 1 1 42 15 22 o 0.7397000      1.357000      ?             ?      
1 1 1 42 15 23 o -1.290000      1.158000      ?             ?      
1 1 1 42 15 24 o 0.4383000      1.129000      ?             ?      
1 1 1 42 15 25 o -0.1451000E-01 1.099000      ?             ?      
1 1 1 42 15 26 o 0.7134000      0.9888000     ?             ?      
1 1 1 42 15 27 o 1.156000       0.9811000     ?             ?      
1 1 1 42 15 28 o -1.052000      0.9330000     ?             ?      
1 1 1 42 15 29 o -1.456000      0.9530000     ?             ?      
1 1 1 42 15 30 o -1.277000      0.9444000     ?             ?      
1 1 1 42 15 31 o 0.8197000E-02  0.9482000     ?             ?      
1 1 1 42 15 32 o -0.5506000     1.041000      ?             ?      
1 1 1 42 15 33 o -0.5262000E-01 1.002000      ?             ?      
1 1 1 42 15 34 o -0.8799000E-01 1.008000      ?             ?      
1 1 1 42 15 35 o 1.044000       1.033000      ?             ?      
1 1 1 42 15 36 o -0.9748000     0.9294000     ?             ?      
1 1 1 42 15 37 o 0.4902000      0.9332000     ?             ?      
1 1 1 42 15 38 o -0.2498000     0.9537000     ?             ?      
1 1 1 42 15 39 o -1.248000      0.9629000     ?             ?      
1 1 1 42 15 40 o -1.598000      0.9730000     ?             ?      
1 1 1 42 15 41 o 0.1789000      1.136000      ?             ?      
1 1 1 42 15 42 o -0.6951000     1.123000      ?             ?      
1 1 1 42 15 43 o 0.8714000      1.074000      ?             ?      
1 1 1 42 15 44 o 1.395000       1.084000      ?             ?      
1 1 1 42 15 45 o -1.351000      0.9963000     ?             ?      
1 1 1 42 15 46 o 0.2255000      1.008000      ?             ?      
1 1 1 42 15 47 o -1.623000      1.057000      ?             ?      
1 1 1 42 16 0  o 2.643000       1.360000      66.76338      -0.0   
1 1 1 42 16 1  o -0.1237000     0.9575000     108.2233      -26.6  
1 1 1 42 16 2  o 0.9972000E-01  0.9352000     45.23673      -110.1 
1 1 1 42 16 3  o -0.5012000E-01 0.9345000     44.98862      -121.2 
1 1 1 42 16 4  o 0.3901000      1.051000      69.90049      116.9  
1 1 1 42 16 5  o -1.503000      1.133000      10.07547      56.6   
1 1 1 42 16 6  o -0.2309000     1.000000      38.75640      161.6  
1 1 1 42 16 7  o -1.520000      1.164000      44.97839      154.8  
1 1 1 42 16 8  o -1.538000      1.140000      22.43605      19.5   
1 1 1 42 16 9  o 0.1862000      1.217000      21.51500      -84.8  
1 1 1 42 16 10 o -1.701000      1.394000      19.31055      -82.1  
1 1 1 42 16 11 o 0.4901000      1.344000      89.38169      -172.6 
1 1 1 42 16 12 o -1.061000      1.507000      ?             ?      
1 1 1 42 16 13 o 0.8346000      1.320000      ?             ?      
1 1 1 42 16 14 o 0.7401000      1.503000      ?             ?      
1 1 1 42 16 15 o -0.7523000     1.320000      ?             ?      
1 1 1 42 16 16 o -0.5718000     1.544000      ?             ?      
1 1 1 42 16 17 o 0.6257000      1.509000      ?             ?      
1 1 1 42 16 18 o 0.5252000      1.543000      ?             ?      
1 1 1 42 16 19 o -0.3563000     1.294000      ?             ?      
1 1 1 42 16 20 o -2.008000      1.271000      ?             ?      
1 1 1 42 16 21 o 0.3285000      1.298000      ?             ?      
1 1 1 42 16 22 o 1.279000       1.343000      ?             ?      
1 1 1 42 16 23 o -0.3207000     1.154000      ?             ?      
1 1 1 42 16 24 o 0.4444000      1.143000      ?             ?      
1 1 1 42 16 25 o -0.4056000     1.078000      ?             ?      
1 1 1 42 16 26 o -0.2672000     1.093000      ?             ?      
1 1 1 42 16 27 o -1.030000      0.9761000     ?             ?      
1 1 1 42 16 28 o 0.5943000      0.9352000     ?             ?      
1 1 1 42 16 29 o -0.5940000     0.9552000     ?             ?      
1 1 1 42 16 30 o 0.9381000      0.9636000     ?             ?      
1 1 1 42 16 31 o -0.3378000     0.9600000     ?             ?      
1 1 1 42 16 32 o 0.6960000      1.011000      ?             ?      
1 1 1 42 16 33 o 1.402000       1.027000      ?             ?      
1 1 1 42 16 34 o -0.1876000E-01 1.016000      ?             ?      
1 1 1 42 16 35 f 1.297000       1.033000      ?             ?      
1 1 1 42 16 36 o -0.4075000     1.002000      ?             ?      
1 1 1 42 16 37 o 0.3126000      0.9557000     ?             ?      
1 1 1 42 16 38 o 0.1162000E-01  0.9640000     ?             ?      
1 1 1 42 16 39 o 1.343000       0.9774000     ?             ?      
1 1 1 42 16 40 o -0.1723000     1.034000      ?             ?      
1 1 1 42 16 41 o 1.513000       1.132000      ?             ?      
1 1 1 42 16 42 o -1.545000      1.267000      ?             ?      
1 1 1 42 16 43 o 0.1921000      1.070000      ?             ?      
1 1 1 42 16 44 o -0.2760000     1.003000      ?             ?      
1 1 1 42 16 45 o -0.2424000     1.011000      ?             ?      
1 1 1 42 16 46 o 1.900000       1.019000      ?             ?      
1 1 1 42 16 47 o 1.015000       1.283000      ?             ?      
1 1 1 42 17 0  o 0.1288000      1.356000      90.60671      -0.0   
1 1 1 42 17 1  o 0.3176000      0.9621000     147.5297      172.0  
1 1 1 42 17 2  o 0.7582000E-01  0.9413000     15.40236      87.3   
1 1 1 42 17 3  o 0.9663000      0.9474000     123.7491      -75.2  
1 1 1 42 17 4  o -0.8859000     0.9498000     89.33737      -87.7  
1 1 1 42 17 5  o -0.3361000     0.9904000     67.04695      -44.8  
1 1 1 42 17 6  o -1.288000      1.149000      76.26152      149.5  
1 1 1 42 17 7  o -1.343000      1.195000      12.47864      174.7  
1 1 1 42 17 8  o 1.876000       1.292000      110.4611      105.6  
1 1 1 42 17 9  o 0.3448000      2.237000      ?             ?      
1 1 1 42 17 10 o 0.2895000      1.472000      ?             ?      
1 1 1 42 17 11 o 1.061000       1.377000      ?             ?      
1 1 1 42 17 12 o -0.2799000     1.253000      ?             ?      
1 1 1 42 17 13 o -0.1303000     1.326000      ?             ?      
1 1 1 42 17 14 o -0.3934000     1.310000      ?             ?      
1 1 1 42 17 15 o -1.276000      1.545000      ?             ?      
1 1 1 42 17 16 o 1.290000       1.502000      ?             ?      
1 1 1 42 17 17 o -1.393000      1.516000      ?             ?      
1 1 1 42 17 18 o 0.8694000      1.464000      ?             ?      
1 1 1 42 17 19 o -0.2750000     1.244000      ?             ?      
1 1 1 42 17 20 o 0.7544000      1.253000      ?             ?      
1 1 1 42 17 21 o 0.7636000      1.275000      ?             ?      
1 1 1 42 17 22 o 0.7418000      1.304000      ?             ?      
1 1 1 42 17 23 o 1.010000       1.135000      ?             ?      
1 1 1 42 17 24 o 0.1431000      1.126000      ?             ?      
1 1 1 42 17 25 o 0.8335000      1.099000      ?             ?      
1 1 1 42 17 26 o 1.311000       1.076000      ?             ?      
1 1 1 42 17 27 o -0.1336000     1.086000      ?             ?      
1 1 1 42 17 28 o 0.7389000E-01  0.9317000     ?             ?      
1 1 1 42 17 29 o -0.8813000     0.9325000     ?             ?      
1 1 1 42 17 30 o 0.1925000      0.9738000     ?             ?      
1 1 1 42 17 31 o 0.8743000      0.9714000     ?             ?      
1 1 1 42 17 32 o -0.7169000     0.9603000     ?             ?      
1 1 1 42 17 33 o -0.2467000     1.075000      ?             ?      
1 1 1 42 17 34 o 2.406000       1.050000      ?             ?      
1 1 1 42 17 35 o 0.6049000      1.043000      ?             ?      
1 1 1 42 17 36 o -0.3002000     1.030000      ?             ?      
1 1 1 42 17 37 o -1.024000      0.9606000     ?             ?      
1 1 1 42 17 38 o 2.540000       0.9696000     ?             ?      
1 1 1 42 17 39 o -0.7108000     0.9735000     ?             ?      
1 1 1 42 17 40 o 1.520000       1.138000      ?             ?      
1 1 1 42 17 41 o -0.9176000     1.138000      ?             ?      
1 1 1 42 17 42 o 1.742000       1.537000      ?             ?      
1 1 1 42 17 43 o -1.950000      1.546000      ?             ?      
1 1 1 42 17 44 o 0.5408000      1.006000      ?             ?      
1 1 1 42 17 45 o -0.9941000     1.014000      ?             ?      
1 1 1 42 17 46 o 0.1614000      1.054000      ?             ?      
1 1 1 42 18 0  o 0.4421000      1.366000      118.4890      -0.0   
1 1 1 42 18 1  o -0.6670000     0.9573000     50.53206      -74.6  
1 1 1 42 18 2  o -0.3527000     1.000000      110.9138      -142.4 
1 1 1 42 18 3  o -1.710000      0.9876000     69.02682      14.2   
1 1 1 42 18 4  o 1.810000       1.062000      102.4115      64.0   
1 1 1 42 18 5  o 1.162000       1.067000      24.75000      -18.8  
1 1 1 42 18 6  o 2.207000       1.044000      ?             ?      
1 1 1 42 18 7  o 0.4649000E-01  1.183000      ?             ?      
1 1 1 42 18 8  o 0.3060000      1.328000      ?             ?      
1 1 1 42 18 9  o 3.065000       1.326000      ?             ?      
1 1 1 42 18 10 o 0.9613000      1.353000      ?             ?      
1 1 1 42 18 11 o -1.120000      1.469000      ?             ?      
1 1 1 42 18 12 o 3.668000       1.694000      ?             ?      
1 1 1 42 18 13 o 1.394000       1.321000      ?             ?      
1 1 1 42 18 14 o -1.192000      1.277000      ?             ?      
1 1 1 42 18 15 o 0.4128000      1.534000      ?             ?      
1 1 1 42 18 16 o 0.9626000      1.474000      ?             ?      
1 1 1 42 18 17 o -0.3989000     1.478000      ?             ?      
1 1 1 42 18 18 o -0.5525000     1.464000      ?             ?      
1 1 1 42 18 19 o -1.655000      1.218000      ?             ?      
1 1 1 42 18 20 o 0.5909000      1.234000      ?             ?      
1 1 1 42 18 21 o 0.3597000      1.255000      ?             ?      
1 1 1 42 18 22 o 0.2104000      1.144000      ?             ?      
1 1 1 42 18 23 o -1.066000      1.117000      ?             ?      
1 1 1 42 18 24 f -0.2026000     1.101000      ?             ?      
1 1 1 42 18 25 o 2.420000       1.128000      ?             ?      
1 1 1 42 18 26 o 1.136000       1.057000      ?             ?      
1 1 1 42 18 27 o -0.8110000     1.040000      ?             ?      
1 1 1 42 18 28 o -1.036000      0.9640000     ?             ?      
1 1 1 42 18 29 o 0.5383000      0.9393000     ?             ?      
1 1 1 42 18 30 o 0.2504000      0.9724000     ?             ?      
1 1 1 42 18 31 o -0.2914000     0.9744000     ?             ?      
1 1 1 42 18 32 o 1.437000       0.9759000     ?             ?      
1 1 1 42 18 33 o 0.2822000      1.006000      ?             ?      
1 1 1 42 18 34 o -0.4876000     1.041000      ?             ?      
1 1 1 42 18 35 o 0.4746000      1.030000      ?             ?      
1 1 1 42 18 36 o -1.003000      1.077000      ?             ?      
1 1 1 42 18 37 o -0.6812000     1.053000      ?             ?      
1 1 1 42 18 38 o -1.704000      0.9679000     ?             ?      
1 1 1 42 18 39 o 0.7612000      1.018000      ?             ?      
1 1 1 42 18 40 o 0.5542000      1.134000      ?             ?      
1 1 1 42 18 41 o 1.677000       1.220000      ?             ?      
1 1 1 42 18 42 o 0.8545000      1.084000      ?             ?      
1 1 1 42 18 43 o 0.1794000      1.052000      ?             ?      
1 1 1 42 18 44 o 0.7703000E-01  1.019000      ?             ?      
1 1 1 42 18 45 o 0.6608000      1.020000      ?             ?      
1 1 1 42 18 46 o -1.374000      1.988000      ?             ?      
1 1 1 42 19 0  o 0.8300000      1.472000      ?             ?      
1 1 1 42 19 1  o 1.371000       1.083000      ?             ?      
1 1 1 42 19 2  o 0.8620000      1.062000      ?             ?      
1 1 1 42 19 3  o 2.093000       0.9784000     ?             ?      
1 1 1 42 19 4  o 0.3518000      1.003000      ?             ?      
1 1 1 42 19 5  o -0.5221000     0.9934000     ?             ?      
1 1 1 42 19 6  o 0.6572000      1.131000      ?             ?      
1 1 1 42 19 7  o -0.6666000E-02 1.292000      ?             ?      
1 1 1 42 19 8  o -0.1392000     1.300000      ?             ?      
1 1 1 42 19 9  o -1.069000      1.309000      ?             ?      
1 1 1 42 19 10 o -0.1182000     1.475000      ?             ?      
1 1 1 42 19 11 o -0.5137000     1.313000      ?             ?      
1 1 1 42 19 12 o 0.4942000      1.317000      ?             ?      
1 1 1 42 19 13 o 0.9486000      1.329000      ?             ?      
1 1 1 42 19 14 o 3.869000       1.534000      ?             ?      
1 1 1 42 19 15 o 1.025000       1.475000      ?             ?      
1 1 1 42 19 16 o -0.3488000     1.476000      ?             ?      
1 1 1 42 19 17 o 2.051000       1.496000      ?             ?      
1 1 1 42 19 18 o 1.175000       1.247000      ?             ?      
1 1 1 42 19 19 o 0.1431000      1.224000      ?             ?      
1 1 1 42 19 20 o 0.6820000      1.234000      ?             ?      
1 1 1 42 19 21 o -0.1432000     1.234000      ?             ?      
1 1 1 42 19 22 o 0.3270000      1.131000      ?             ?      
1 1 1 42 19 23 o -0.5466000     1.101000      ?             ?      
1 1 1 42 19 24 o 0.7550000      1.102000      ?             ?      
1 1 1 42 19 25 o 1.500000       1.092000      ?             ?      
1 1 1 42 19 26 o -0.6388000     1.041000      ?             ?      
1 1 1 42 19 27 o -2.156000      1.031000      ?             ?      
1 1 1 42 19 28 o -0.6342000E-01 1.016000      ?             ?      
1 1 1 42 19 29 o -0.8996000     0.9636000     ?             ?      
1 1 1 42 19 30 o 1.661000       0.9487000     ?             ?      
1 1 1 42 19 31 o -0.3579000     0.9660000     ?             ?      
1 1 1 42 19 32 o 1.871000       0.9856000     ?             ?      
1 1 1 42 19 33 o -0.6222000     0.9689000     ?             ?      
1 1 1 42 19 34 o 1.055000       1.035000      ?             ?      
1 1 1 42 19 35 o 0.2932000      1.053000      ?             ?      
1 1 1 42 19 36 o 0.1815000      1.092000      ?             ?      
1 1 1 42 19 37 o -0.4239000     1.087000      ?             ?      
1 1 1 42 19 38 o -0.2346000     0.9794000     ?             ?      
1 1 1 42 19 39 o 0.1029000      1.122000      ?             ?      
1 1 1 42 19 40 o 1.401000       1.132000      ?             ?      
1 1 1 42 19 41 o 0.6134000      1.084000      ?             ?      
1 1 1 42 19 42 o 0.7231000      1.080000      ?             ?      
1 1 1 42 19 43 o 1.156000       1.006000      ?             ?      
1 1 1 42 19 44 o -0.6132000     1.020000      ?             ?      
1 1 1 42 19 45 o 1.181000       1.074000      ?             ?      
1 1 1 42 19 46 o -5.612000      2.971000      ?             ?      
1 1 1 42 20 0  o 0.4525000      1.399000      ?             ?      
1 1 1 42 20 1  o 1.552000       1.085000      ?             ?      
1 1 1 42 20 2  o -0.4016000     1.011000      ?             ?      
1 1 1 42 20 3  o 0.6475000      1.027000      ?             ?      
1 1 1 42 20 4  o 1.587000       0.9952000     ?             ?      
1 1 1 42 20 5  o 0.5236000      1.002000      ?             ?      
1 1 1 42 20 6  o 0.3228000      1.423000      ?             ?      
1 1 1 42 20 7  o 0.3900000      1.415000      ?             ?      
1 1 1 42 20 8  o 0.3632000      1.415000      ?             ?      
1 1 1 42 20 9  o 2.093000       1.467000      ?             ?      
1 1 1 42 20 10 o -0.4403000     1.273000      ?             ?      
1 1 1 42 20 11 o 0.5099000      1.298000      ?             ?      
1 1 1 42 20 12 o -0.7501000     1.168000      ?             ?      
1 1 1 42 20 13 o -0.3111000E-01 1.163000      ?             ?      
1 1 1 42 20 14 o -0.4689000     1.293000      ?             ?      
1 1 1 42 20 15 o 1.179000       1.469000      ?             ?      
1 1 1 42 20 16 o -0.4105000     1.481000      ?             ?      
1 1 1 42 20 17 o -3.060000      1.441000      ?             ?      
1 1 1 42 20 18 o 0.8797000      1.234000      ?             ?      
1 1 1 42 20 19 o -1.193000      1.330000      ?             ?      
1 1 1 42 20 20 o 0.4516000      1.310000      ?             ?      
1 1 1 42 20 21 o 0.1361000E-01  1.258000      ?             ?      
1 1 1 42 20 22 o -0.5347000     1.131000      ?             ?      
1 1 1 42 20 23 o -0.4909000     1.102000      ?             ?      
1 1 1 42 20 24 o -0.1486000     1.094000      ?             ?      
1 1 1 42 20 25 o 0.5194000      1.090000      ?             ?      
1 1 1 42 20 26 o 0.5517000      1.048000      ?             ?      
1 1 1 42 20 27 o -0.3889000     1.042000      ?             ?      
1 1 1 42 20 28 o 0.1679000      1.017000      ?             ?      
1 1 1 42 20 29 o -1.563000      1.019000      ?             ?      
1 1 1 42 20 30 o -0.5271000     0.9569000     ?             ?      
1 1 1 42 20 31 o -0.2592000     0.9678000     ?             ?      
1 1 1 42 20 32 o -0.5533000     0.9757000     ?             ?      
1 1 1 42 20 33 o -0.4414000     0.9742000     ?             ?      
1 1 1 42 20 34 o 1.050000       0.9959000     ?             ?      
1 1 1 42 20 35 o -0.5230000     1.077000      ?             ?      
1 1 1 42 20 36 o 1.229000       1.109000      ?             ?      
1 1 1 42 20 37 o -1.943000      1.093000      ?             ?      
1 1 1 42 20 38 o 1.012000       1.159000      ?             ?      
1 1 1 42 20 39 o 1.473000       1.152000      ?             ?      
1 1 1 42 20 40 o 0.2313000      1.195000      ?             ?      
1 1 1 42 20 41 o -0.3949000E-01 1.090000      ?             ?      
1 1 1 42 20 42 o 0.1254000      1.040000      ?             ?      
1 1 1 42 20 43 o 1.338000       1.011000      ?             ?      
1 1 1 42 20 44 o 0.2505000      1.028000      ?             ?      
1 1 1 42 20 45 o -0.8236000E-01 1.271000      ?             ?      
1 1 1 42 21 0  o 3.247000       1.418000      ?             ?      
1 1 1 42 21 1  o -0.4382000     1.000000      ?             ?      
1 1 1 42 21 2  o -0.9956000     0.9955000     ?             ?      
1 1 1 42 21 3  o -1.215000      1.110000      ?             ?      
1 1 1 42 21 4  o 2.077000       1.101000      ?             ?      
1 1 1 42 21 5  o 0.3915000      1.119000      ?             ?      
1 1 1 42 21 6  o 3.977000       1.413000      ?             ?      
1 1 1 42 21 7  o -2.010000      1.388000      ?             ?      
1 1 1 42 21 8  o 1.882000       1.440000      ?             ?      
1 1 1 42 21 9  f 1.500000       1.260000      ?             ?      
1 1 1 42 21 10 o -0.1849000E-01 1.284000      ?             ?      
1 1 1 42 21 11 o 2.245000       1.173000      ?             ?      
1 1 1 42 21 12 o 0.3494000      1.150000      ?             ?      
1 1 1 42 21 13 o 2.280000       1.135000      ?             ?      
1 1 1 42 21 14 o 0.3198000      1.280000      ?             ?      
1 1 1 42 21 15 o -0.1966000     1.455000      ?             ?      
1 1 1 42 21 16 o -1.015000      1.467000      ?             ?      
1 1 1 42 21 17 o 0.3843000      1.220000      ?             ?      
1 1 1 42 21 18 o -2.442000      1.216000      ?             ?      
1 1 1 42 21 19 o 3.213000       1.570000      ?             ?      
1 1 1 42 21 20 o -1.330000      1.520000      ?             ?      
1 1 1 42 21 21 o 0.8822000      1.270000      ?             ?      
1 1 1 42 21 22 o 2.018000       1.270000      ?             ?      
1 1 1 42 21 23 o 0.3875000      1.264000      ?             ?      
1 1 1 42 21 24 o 0.4269000      1.120000      ?             ?      
1 1 1 42 21 25 o 2.104000       1.112000      ?             ?      
1 1 1 42 21 26 o -0.6351000     1.056000      ?             ?      
1 1 1 42 21 27 o 1.255000       1.049000      ?             ?      
1 1 1 42 21 28 o 1.594000       1.034000      ?             ?      
1 1 1 42 21 29 o -0.4695000     1.032000      ?             ?      
1 1 1 42 21 30 o 0.3155000      1.022000      ?             ?      
1 1 1 42 21 31 o 0.4716000E-01  0.9615000     ?             ?      
1 1 1 42 21 32 o 0.1587000      0.9733000     ?             ?      
1 1 1 42 21 33 o 0.4533000      0.9813000     ?             ?      
1 1 1 42 21 34 o 0.9121000      0.9884000     ?             ?      
1 1 1 42 21 35 o -0.2299000     1.068000      ?             ?      
1 1 1 42 21 36 o 0.3206000      1.130000      ?             ?      
1 1 1 42 21 37 o -0.9946000E-01 1.132000      ?             ?      
1 1 1 42 21 38 o 2.742000       1.340000      ?             ?      
1 1 1 42 21 39 o 0.1062000      1.160000      ?             ?      
1 1 1 42 21 40 o 0.1505000      1.101000      ?             ?      
1 1 1 42 21 41 o 0.7045000      1.059000      ?             ?      
1 1 1 42 21 42 o -0.6414000     1.004000      ?             ?      
1 1 1 42 21 43 o 0.8267000E-01  1.020000      ?             ?      
1 1 1 42 21 44 o 2.019000       1.038000      ?             ?      
1 1 1 42 22 0  o -0.7783000     1.446000      ?             ?      
1 1 1 42 22 1  o -0.5319000     0.9939000     ?             ?      
1 1 1 42 22 2  o 1.240000       0.9819000     ?             ?      
1 1 1 42 22 3  f 1.483000       1.093000      ?             ?      
1 1 1 42 22 4  o 2.266000       1.103000      ?             ?      
1 1 1 42 22 5  o 0.8988000      1.446000      ?             ?      
1 1 1 42 22 6  o 1.717000       1.427000      ?             ?      
1 1 1 42 22 7  o -0.1021000     1.432000      ?             ?      
1 1 1 42 22 8  o 0.3467000      1.405000      ?             ?      
1 1 1 42 22 9  o -1.450000      1.430000      ?             ?      
1 1 1 42 22 10 o 0.3723000      1.143000      ?             ?      
1 1 1 42 22 11 o 0.9635000      1.140000      ?             ?      
1 1 1 42 22 12 o -0.4998000     1.101000      ?             ?      
1 1 1 42 22 13 o -1.072000      1.258000      ?             ?      
1 1 1 42 22 14 o 2.095000       1.253000      ?             ?      
1 1 1 42 22 15 o 2.040000       1.468000      ?             ?      
1 1 1 42 22 16 o 2.053000       1.480000      ?             ?      
1 1 1 42 22 17 o 1.969000       1.485000      ?             ?      
1 1 1 42 22 18 o -0.9297000     1.230000      ?             ?      
1 1 1 42 22 19 o 0.2771000      1.243000      ?             ?      
1 1 1 42 22 20 o 0.3948000E-01  1.250000      ?             ?      
1 1 1 42 22 21 o 0.8608000      1.277000      ?             ?      
1 1 1 42 22 22 o -1.690000      1.329000      ?             ?      
1 1 1 42 22 23 o 1.709000       1.308000      ?             ?      
1 1 1 42 22 24 o -0.9465000     1.128000      ?             ?      
1 1 1 42 22 25 o 1.298000       1.267000      ?             ?      
1 1 1 42 22 26 o 1.816000       1.156000      ?             ?      
1 1 1 42 22 27 o 0.4407000      1.064000      ?             ?      
1 1 1 42 22 28 o -1.761000      1.050000      ?             ?      
1 1 1 42 22 29 o -0.7827000     1.043000      ?             ?      
1 1 1 42 22 30 o 1.119000       1.016000      ?             ?      
1 1 1 42 22 31 o 1.454000       1.049000      ?             ?      
1 1 1 42 22 32 o -1.678000      1.004000      ?             ?      
1 1 1 42 22 33 o 1.074000       0.9858000     ?             ?      
1 1 1 42 22 34 o 1.430000       0.9879000     ?             ?      
1 1 1 42 22 35 o 1.025000       1.026000      ?             ?      
1 1 1 42 22 36 o 1.638000       1.156000      ?             ?      
1 1 1 42 22 37 o -0.6829000     1.227000      ?             ?      
1 1 1 42 22 38 o 1.990000       1.362000      ?             ?      
1 1 1 42 22 39 o -0.8210000     1.320000      ?             ?      
1 1 1 42 22 40 o -0.2839000     1.094000      ?             ?      
1 1 1 42 22 41 o -1.070000      1.042000      ?             ?      
1 1 1 42 22 42 o -0.7905000     1.014000      ?             ?      
1 1 1 42 22 43 o -2.081000      1.466000      ?             ?      
1 1 1 42 22 44 o 0.8615000      2.062000      ?             ?      
1 1 1 42 23 0  o 0.7932000      1.443000      ?             ?      
1 1 1 42 23 1  o 0.1698000      1.014000      ?             ?      
1 1 1 42 23 2  o -0.9961000     1.023000      ?             ?      
1 1 1 42 23 3  o -1.779000      1.075000      ?             ?      
1 1 1 42 23 4  o 0.1245000      1.088000      ?             ?      
1 1 1 42 23 5  o 1.105000       1.463000      ?             ?      
1 1 1 42 23 6  o -0.2873000     1.435000      ?             ?      
1 1 1 42 23 7  o -0.2830000     1.255000      ?             ?      
1 1 1 42 23 8  o 0.2311000      1.245000      ?             ?      
1 1 1 42 23 9  o 0.3465000      1.253000      ?             ?      
1 1 1 42 23 10 o -1.579000      1.293000      ?             ?      
1 1 1 42 23 11 o -0.5415000     1.221000      ?             ?      
1 1 1 42 23 12 o -0.2533000E-01 1.234000      ?             ?      
1 1 1 42 23 13 o -0.1380000E-01 1.259000      ?             ?      
1 1 1 42 23 14 o 0.3281000      1.252000      ?             ?      
1 1 1 42 23 15 o 0.4524000E-01  1.457000      ?             ?      
1 1 1 42 23 16 o 0.2825000      1.459000      ?             ?      
1 1 1 42 23 17 o 0.3629000      1.189000      ?             ?      
1 1 1 42 23 18 o -0.3082000     1.227000      ?             ?      
1 1 1 42 23 19 o 1.816000       1.265000      ?             ?      
1 1 1 42 23 20 o -0.1612000     1.262000      ?             ?      
1 1 1 42 23 21 o 0.4345000      1.286000      ?             ?      
1 1 1 42 23 22 o 0.9287000      1.163000      ?             ?      
1 1 1 42 23 23 o 0.4848000      1.167000      ?             ?      
1 1 1 42 23 24 o 0.5198000      1.153000      ?             ?      
1 1 1 42 23 25 o 2.069000       1.273000      ?             ?      
1 1 1 42 23 26 o 0.1818000      1.222000      ?             ?      
1 1 1 42 23 27 o 0.4182000      1.105000      ?             ?      
1 1 1 42 23 28 o 0.2427000      1.110000      ?             ?      
1 1 1 42 23 29 o -0.4256000     1.107000      ?             ?      
1 1 1 42 23 30 o -1.228000      1.041000      ?             ?      
1 1 1 42 23 31 o 1.643000       1.043000      ?             ?      
1 1 1 42 23 32 o 0.2620000      1.095000      ?             ?      
1 1 1 42 23 33 o 1.643000       1.007000      ?             ?      
1 1 1 42 23 34 o 0.5333000      0.9852000     ?             ?      
1 1 1 42 23 35 o -1.206000      1.019000      ?             ?      
1 1 1 42 23 36 o -0.2624000     1.149000      ?             ?      
1 1 1 42 23 37 o 1.220000       1.300000      ?             ?      
1 1 1 42 23 38 o 0.7666000      1.455000      ?             ?      
1 1 1 42 23 39 o -0.1380000E-01 1.502000      ?             ?      
1 1 1 42 23 40 o -0.8033000     1.063000      ?             ?      
1 1 1 42 23 41 o 1.428000       1.011000      ?             ?      
1 1 1 42 23 42 o 1.143000       1.476000      ?             ?      
1 1 1 42 23 43 o -1.006000      1.232000      ?             ?      
1 1 1 42 24 0  o 0.6203000E-01  1.419000      ?             ?      
1 1 1 42 24 1  o 1.853000       1.017000      ?             ?      
1 1 1 42 24 2  o 0.1777000      1.111000      ?             ?      
1 1 1 42 24 3  o -1.523000      1.098000      ?             ?      
1 1 1 42 24 4  o 1.053000       1.115000      ?             ?      
1 1 1 42 24 5  o 0.1260000      1.460000      ?             ?      
1 1 1 42 24 6  o 0.5090000E-01  1.264000      ?             ?      
1 1 1 42 24 7  o 2.039000       1.260000      ?             ?      
1 1 1 42 24 8  o -0.5508000     1.090000      ?             ?      
1 1 1 42 24 9  o -0.7700000     1.122000      ?             ?      
1 1 1 42 24 10 o -0.4893000     1.123000      ?             ?      
1 1 1 42 24 11 o -1.556000      1.140000      ?             ?      
1 1 1 42 24 12 o -0.5219000     1.528000      ?             ?      
1 1 1 42 24 13 o -1.536000      1.555000      ?             ?      
1 1 1 42 24 14 o -1.592000      1.478000      ?             ?      
1 1 1 42 24 15 o 0.8683000      1.942000      ?             ?      
1 1 1 42 24 16 o -2.567000      1.182000      ?             ?      
1 1 1 42 24 17 o 0.3894000      1.213000      ?             ?      
1 1 1 42 24 18 o -0.4200000     1.244000      ?             ?      
1 1 1 42 24 19 o 2.281000       1.265000      ?             ?      
1 1 1 42 24 20 o 0.6431000      1.134000      ?             ?      
1 1 1 42 24 21 o -0.8795000     1.127000      ?             ?      
1 1 1 42 24 22 o -0.4107000     1.152000      ?             ?      
1 1 1 42 24 23 o 1.870000       1.148000      ?             ?      
1 1 1 42 24 24 o 0.1328000      1.138000      ?             ?      
1 1 1 42 24 25 o -0.9325000     1.145000      ?             ?      
1 1 1 42 24 26 o 0.4413000      1.111000      ?             ?      
1 1 1 42 24 27 o -0.8576000     1.125000      ?             ?      
1 1 1 42 24 28 o 1.095000       1.192000      ?             ?      
1 1 1 42 24 29 o -0.7104000E-01 1.180000      ?             ?      
1 1 1 42 24 30 o -1.317000      1.052000      ?             ?      
1 1 1 42 24 31 o -0.1050000E-01 1.105000      ?             ?      
1 1 1 42 24 32 o -0.9947000     1.103000      ?             ?      
1 1 1 42 24 33 o -0.5962000     1.066000      ?             ?      
1 1 1 42 24 34 o -1.076000      1.051000      ?             ?      
1 1 1 42 24 35 o 0.6159000      1.042000      ?             ?      
1 1 1 42 24 36 o 0.5837000      1.106000      ?             ?      
1 1 1 42 24 37 f -1.337000      1.523000      ?             ?      
1 1 1 42 24 38 o 2.358000       1.462000      ?             ?      
1 1 1 42 24 39 o -1.972000      1.327000      ?             ?      
1 1 1 42 24 40 o -0.6996000     1.477000      ?             ?      
1 1 1 42 24 41 o 0.2387000      1.022000      ?             ?      
1 1 1 42 24 42 o 0.4152000      1.025000      ?             ?      
1 1 1 42 25 0  o -0.4480000     1.442000      ?             ?      
1 1 1 42 25 1  o -0.4963000     1.100000      ?             ?      
1 1 1 42 25 2  o 2.079000       1.107000      ?             ?      
1 1 1 42 25 3  o -1.522000      1.104000      ?             ?      
1 1 1 42 25 4  o 0.4446000      1.175000      ?             ?      
1 1 1 42 25 5  o 0.9173000      1.268000      ?             ?      
1 1 1 42 25 6  o 0.3662000      1.255000      ?             ?      
1 1 1 42 25 7  o 0.3119000      1.075000      ?             ?      
1 1 1 42 25 8  o -1.303000      1.068000      ?             ?      
1 1 1 42 25 9  o 0.6626000      1.113000      ?             ?      
1 1 1 42 25 10 o -1.250000      1.080000      ?             ?      
1 1 1 42 25 11 o -1.535000      1.104000      ?             ?      
1 1 1 42 25 12 o -1.893000      1.229000      ?             ?      
1 1 1 42 25 13 o 0.2622000      1.251000      ?             ?      
1 1 1 42 25 14 o 0.4815000      1.279000      ?             ?      
1 1 1 42 25 15 o -1.338000      1.546000      ?             ?      
1 1 1 42 25 16 o -2.134000      1.469000      ?             ?      
1 1 1 42 25 17 o 1.587000       1.431000      ?             ?      
1 1 1 42 25 18 o -0.5504000     1.246000      ?             ?      
1 1 1 42 25 19 o -0.6742000     1.146000      ?             ?      
1 1 1 42 25 20 o 0.8996000      1.128000      ?             ?      
1 1 1 42 25 21 o -0.3973000     1.139000      ?             ?      
1 1 1 42 25 22 o -1.397000      1.141000      ?             ?      
1 1 1 42 25 23 o 1.036000       1.150000      ?             ?      
1 1 1 42 25 24 o -0.4194000     1.139000      ?             ?      
1 1 1 42 25 25 o -0.4694000     1.146000      ?             ?      
1 1 1 42 25 26 o 0.3177000      1.122000      ?             ?      
1 1 1 42 25 27 o -0.4068000     1.092000      ?             ?      
1 1 1 42 25 28 o 1.172000       1.083000      ?             ?      
1 1 1 42 25 29 o -0.7406000     1.067000      ?             ?      
1 1 1 42 25 30 o 0.9313000      1.065000      ?             ?      
1 1 1 42 25 31 o 1.216000       1.196000      ?             ?      
1 1 1 42 25 32 o -0.1400000     1.166000      ?             ?      
1 1 1 42 25 33 o 0.1040000      1.054000      ?             ?      
1 1 1 42 25 34 o -0.8203000     1.215000      ?             ?      
1 1 1 42 25 35 o -0.1854000     1.252000      ?             ?      
1 1 1 42 25 36 o -0.2034000     1.094000      ?             ?      
1 1 1 42 25 37 o -0.2159000     1.605000      ?             ?      
1 1 1 42 25 38 o -2.068000      1.561000      ?             ?      
1 1 1 42 25 39 o 1.597000       1.365000      ?             ?      
1 1 1 42 25 40 o 0.1595000E-01  1.194000      ?             ?      
1 1 1 42 25 41 o -1.289000      1.045000      ?             ?      
1 1 1 42 25 42 o -3.131000      2.284000      ?             ?      
1 1 1 42 26 0  o 1.249000       1.698000      ?             ?      
1 1 1 42 26 1  o -1.863000      1.190000      ?             ?      
1 1 1 42 26 2  o -1.050000      1.101000      ?             ?      
1 1 1 42 26 3  o -0.4138000     1.187000      ?             ?      
1 1 1 42 26 4  o -1.272000      1.283000      ?             ?      
1 1 1 42 26 5  o -0.5948000     1.274000      ?             ?      
1 1 1 42 26 6  o -1.035000      1.093000      ?             ?      
1 1 1 42 26 7  o 0.6873000E-01  1.074000      ?             ?      
1 1 1 42 26 8  o 0.5486000      1.100000      ?             ?      
1 1 1 42 26 9  o 0.3319000      1.071000      ?             ?      
1 1 1 42 26 10 o -0.8433000     1.104000      ?             ?      
1 1 1 42 26 11 o -0.8357000     1.101000      ?             ?      
1 1 1 42 26 12 o -0.3119000E-01 1.247000      ?             ?      
1 1 1 42 26 13 o -0.4720000     1.226000      ?             ?      
1 1 1 42 26 14 o -0.2840000     1.241000      ?             ?      
1 1 1 42 26 15 o -0.4531000     1.112000      ?             ?      
1 1 1 42 26 16 o -1.762000      1.225000      ?             ?      
1 1 1 42 26 17 o -0.2255000     1.238000      ?             ?      
1 1 1 42 26 18 o 0.1638000      1.448000      ?             ?      
1 1 1 42 26 19 o 0.9575000      1.496000      ?             ?      
1 1 1 42 26 20 o -1.844000      1.233000      ?             ?      
1 1 1 42 26 21 f 0.1422000      1.149000      ?             ?      
1 1 1 42 26 22 o -1.729000      1.149000      ?             ?      
1 1 1 42 26 23 o -0.1189000     1.145000      ?             ?      
1 1 1 42 26 24 o -0.7887000     1.132000      ?             ?      
1 1 1 42 26 25 o -0.5738000     1.159000      ?             ?      
1 1 1 42 26 26 o -2.164000      1.107000      ?             ?      
1 1 1 42 26 27 o -0.9626000     1.103000      ?             ?      
1 1 1 42 26 28 o -0.2652000     1.078000      ?             ?      
1 1 1 42 26 29 o 0.1657000      1.067000      ?             ?      
1 1 1 42 26 30 o -0.2966000     1.066000      ?             ?      
1 1 1 42 26 31 o 1.095000       1.075000      ?             ?      
1 1 1 42 26 32 o -0.9320000     1.062000      ?             ?      
1 1 1 42 26 33 o -0.7346000     1.069000      ?             ?      
1 1 1 42 26 34 o -0.3086000E-01 1.554000      ?             ?      
1 1 1 42 26 35 o 0.4571000      1.533000      ?             ?      
1 1 1 42 26 36 o -0.4571000     1.393000      ?             ?      
1 1 1 42 26 37 o -1.344000      1.343000      ?             ?      
1 1 1 42 26 38 o -0.6333000     1.571000      ?             ?      
1 1 1 42 26 39 o -1.298000      1.340000      ?             ?      
1 1 1 42 26 40 o -1.345000      1.204000      ?             ?      
1 1 1 42 26 41 o 0.7809000      2.166000      ?             ?      
1 1 1 42 27 0  o -1.298000      1.682000      ?             ?      
1 1 1 42 27 1  o -1.869000      1.179000      ?             ?      
1 1 1 42 27 2  o 0.4510000      1.177000      ?             ?      
1 1 1 42 27 3  o -0.7838000     1.130000      ?             ?      
1 1 1 42 27 4  o 1.644000       1.275000      ?             ?      
1 1 1 42 27 5  o 0.3934000      1.099000      ?             ?      
1 1 1 42 27 6  o 0.1156000      1.082000      ?             ?      
1 1 1 42 27 7  o 0.6606000      1.081000      ?             ?      
1 1 1 42 27 8  o 0.5223000E-01  1.077000      ?             ?      
1 1 1 42 27 9  o -0.7844000     1.111000      ?             ?      
1 1 1 42 27 10 o -1.614000      1.095000      ?             ?      
1 1 1 42 27 11 o -0.6183000     1.241000      ?             ?      
1 1 1 42 27 12 o -0.5106000     1.212000      ?             ?      
1 1 1 42 27 13 o 0.3683000      1.229000      ?             ?      
1 1 1 42 27 14 o -0.2643000     1.239000      ?             ?      
1 1 1 42 27 15 o -2.912000      1.094000      ?             ?      
1 1 1 42 27 16 o 0.5240000      1.204000      ?             ?      
1 1 1 42 27 17 o 1.155000       1.241000      ?             ?      
1 1 1 42 27 18 o -2.666000      1.142000      ?             ?      
1 1 1 42 27 19 o -0.2453000     1.154000      ?             ?      
1 1 1 42 27 20 o -0.3319000     1.200000      ?             ?      
1 1 1 42 27 21 o -0.6435000     1.252000      ?             ?      
1 1 1 42 27 22 o 1.580000       1.470000      ?             ?      
1 1 1 42 27 23 o 0.8233000      1.299000      ?             ?      
1 1 1 42 27 24 o -2.105000      1.168000      ?             ?      
1 1 1 42 27 25 o -2.101000      1.111000      ?             ?      
1 1 1 42 27 26 o -0.1684000     1.116000      ?             ?      
1 1 1 42 27 27 o -0.8518000     1.106000      ?             ?      
1 1 1 42 27 28 o -0.1223000     1.094000      ?             ?      
1 1 1 42 27 29 o 0.5814000E-01  1.094000      ?             ?      
1 1 1 42 27 30 o -0.6685000     1.077000      ?             ?      
1 1 1 42 27 31 o 0.3717000      1.077000      ?             ?      
1 1 1 42 27 32 o -0.5634000     1.077000      ?             ?      
1 1 1 42 27 33 o 0.8358000E-01  1.088000      ?             ?      
1 1 1 42 27 34 o 0.5123000      1.276000      ?             ?      
1 1 1 42 27 35 o 1.608000       1.296000      ?             ?      
1 1 1 42 27 36 o 0.1459000      1.293000      ?             ?      
1 1 1 42 27 37 o -0.5281000     1.581000      ?             ?      
1 1 1 42 27 38 o -0.9671000     1.132000      ?             ?      
1 1 1 42 27 39 o 0.1058000      1.360000      ?             ?      
1 1 1 42 27 40 o 0.4497000      1.710000      ?             ?      
1 1 1 42 28 0  o -0.2702000     1.671000      ?             ?      
1 1 1 42 28 1  o -2.167000      1.175000      ?             ?      
1 1 1 42 28 2  o 1.327000       1.129000      ?             ?      
1 1 1 42 28 3  o -0.5089000     1.135000      ?             ?      
1 1 1 42 28 4  o -0.5424000     1.192000      ?             ?      
1 1 1 42 28 5  o -1.066000      1.096000      ?             ?      
1 1 1 42 28 6  o 1.241000       1.089000      ?             ?      
1 1 1 42 28 7  o 0.3324000      1.037000      ?             ?      
1 1 1 42 28 8  o 1.224000       1.083000      ?             ?      
1 1 1 42 28 9  o -1.042000      1.079000      ?             ?      
1 1 1 42 28 10 o 0.2030000E-01  1.106000      ?             ?      
1 1 1 42 28 11 o -0.9858000     1.242000      ?             ?      
1 1 1 42 28 12 o -0.7965000     1.220000      ?             ?      
1 1 1 42 28 13 o 0.6200000      1.233000      ?             ?      
1 1 1 42 28 14 o 0.3424000      1.102000      ?             ?      
1 1 1 42 28 15 o 1.547000       1.098000      ?             ?      
1 1 1 42 28 16 o -1.181000      1.205000      ?             ?      
1 1 1 42 28 17 o 0.3881000E-01  1.131000      ?             ?      
1 1 1 42 28 18 o -0.5299000     1.129000      ?             ?      
1 1 1 42 28 19 o 0.8455000      1.153000      ?             ?      
1 1 1 42 28 20 o -0.5706000E-01 1.161000      ?             ?      
1 1 1 42 28 21 o -0.1869000     1.203000      ?             ?      
1 1 1 42 28 22 o -0.9034000E-01 1.195000      ?             ?      
1 1 1 42 28 23 o 0.9864000      1.196000      ?             ?      
1 1 1 42 28 24 o -1.463000      1.266000      ?             ?      
1 1 1 42 28 25 o -1.937000      1.414000      ?             ?      
1 1 1 42 28 26 o -2.239000      1.245000      ?             ?      
1 1 1 42 28 27 o -2.078000      1.123000      ?             ?      
1 1 1 42 28 28 o 1.198000       1.101000      ?             ?      
1 1 1 42 28 29 o 0.5631000      1.092000      ?             ?      
1 1 1 42 28 30 o -1.049000      1.098000      ?             ?      
1 1 1 42 28 31 o -0.1137000     1.091000      ?             ?      
1 1 1 42 28 32 o 0.9687000      1.095000      ?             ?      
1 1 1 42 28 33 o 0.2669000      1.316000      ?             ?      
1 1 1 42 28 34 o -0.6283000     1.317000      ?             ?      
1 1 1 42 28 35 o -0.2017000     1.262000      ?             ?      
1 1 1 42 28 36 o -2.989000      2.011000      ?             ?      
1 1 1 42 28 37 o -3.194000      1.350000      ?             ?      
1 1 1 42 28 38 o 0.1423000      1.371000      ?             ?      
1 1 1 42 28 39 o -0.1939000     1.643000      ?             ?      
1 1 1 42 29 0  o -2.320000      1.642000      ?             ?      
1 1 1 42 29 1  o 0.1566000      1.113000      ?             ?      
1 1 1 42 29 2  o -0.5373000E-01 1.109000      ?             ?      
1 1 1 42 29 3  o 0.1570000E-01  1.056000      ?             ?      
1 1 1 42 29 4  o 0.4926000      1.154000      ?             ?      
1 1 1 42 29 5  o 0.3356000      1.154000      ?             ?      
1 1 1 42 29 6  o -0.1550000     1.072000      ?             ?      
1 1 1 42 29 7  o 0.2563000      1.155000      ?             ?      
1 1 1 42 29 8  o -0.4880000     1.063000      ?             ?      
1 1 1 42 29 9  o 0.4262000      1.082000      ?             ?      
1 1 1 42 29 10 o 0.6677000E-01  1.232000      ?             ?      
1 1 1 42 29 11 o 0.6715000E-01  1.206000      ?             ?      
1 1 1 42 29 12 o -0.2443000     1.227000      ?             ?      
1 1 1 42 29 13 o -0.4969000     1.244000      ?             ?      
1 1 1 42 29 14 o -1.390000      1.097000      ?             ?      
1 1 1 42 29 15 o -0.4866000     1.115000      ?             ?      
1 1 1 42 29 16 o 0.1028000      1.122000      ?             ?      
1 1 1 42 29 17 o -0.5967000     1.122000      ?             ?      
1 1 1 42 29 18 o -0.9775000     1.139000      ?             ?      
1 1 1 42 29 19 o -0.4642000     1.166000      ?             ?      
1 1 1 42 29 20 o -1.847000      1.170000      ?             ?      
1 1 1 42 29 21 o 0.1236000      1.150000      ?             ?      
1 1 1 42 29 22 o 0.8097000E-01  1.169000      ?             ?      
1 1 1 42 29 23 o 1.177000       1.175000      ?             ?      
1 1 1 42 29 24 o 0.9540000      1.209000      ?             ?      
1 1 1 42 29 25 o 0.3246000      1.160000      ?             ?      
1 1 1 42 29 26 o 1.002000       1.250000      ?             ?      
1 1 1 42 29 27 o -1.484000      1.236000      ?             ?      
1 1 1 42 29 28 o -3.129000      1.378000      ?             ?      
1 1 1 42 29 29 o 1.249000       1.242000      ?             ?      
1 1 1 42 29 30 o -1.487000      1.108000      ?             ?      
1 1 1 42 29 31 o -0.9024000     1.106000      ?             ?      
1 1 1 42 29 32 o -1.679000      1.210000      ?             ?      
1 1 1 42 29 33 o 1.616000       1.352000      ?             ?      
1 1 1 42 29 34 o -1.219000      1.335000      ?             ?      
1 1 1 42 29 35 o 1.536000       1.256000      ?             ?      
1 1 1 42 29 36 o 1.043000       1.303000      ?             ?      
1 1 1 42 29 37 o 0.9700000E-01  1.363000      ?             ?      
1 1 1 42 29 38 o -0.4345000     2.151000      ?             ?      
1 1 1 42 30 0  o -1.709000      1.490000      ?             ?      
1 1 1 42 30 1  o 0.4408000E-01  1.061000      ?             ?      
1 1 1 42 30 2  o 0.3003000      1.030000      ?             ?      
1 1 1 42 30 3  o -0.5015000     1.136000      ?             ?      
1 1 1 42 30 4  o 0.3621000      1.152000      ?             ?      
1 1 1 42 30 5  o 0.3608000      1.073000      ?             ?      
1 1 1 42 30 6  o 0.8702000      1.084000      ?             ?      
1 1 1 42 30 7  o -0.6368000     1.146000      ?             ?      
1 1 1 42 30 8  o 0.4647000      1.144000      ?             ?      
1 1 1 42 30 9  o 1.072000       1.179000      ?             ?      
1 1 1 42 30 10 o 0.6666000E-01  1.308000      ?             ?      
1 1 1 42 30 11 o -3.003000      1.200000      ?             ?      
1 1 1 42 30 12 o 0.7826000E-01  1.241000      ?             ?      
1 1 1 42 30 13 o -1.083000      1.135000      ?             ?      
1 1 1 42 30 14 o -0.3276000     1.037000      ?             ?      
1 1 1 42 30 15 o -0.6695000     1.053000      ?             ?      
1 1 1 42 30 16 o -0.1089000     1.127000      ?             ?      
1 1 1 42 30 17 o -1.971000      1.172000      ?             ?      
1 1 1 42 30 18 o 1.032000       1.169000      ?             ?      
1 1 1 42 30 19 o -0.1976000     1.164000      ?             ?      
1 1 1 42 30 20 o -0.3497000     1.156000      ?             ?      
1 1 1 42 30 21 o -1.153000      1.177000      ?             ?      
1 1 1 42 30 22 o 0.4860000E-01  1.180000      ?             ?      
1 1 1 42 30 23 o -0.5551000     1.161000      ?             ?      
1 1 1 42 30 24 o -0.4407000     1.164000      ?             ?      
1 1 1 42 30 25 o 2.380000       2.015000      ?             ?      
1 1 1 42 30 26 o -0.9096000     1.136000      ?             ?      
1 1 1 42 30 27 o 1.145000       1.170000      ?             ?      
1 1 1 42 30 28 o 0.6242000      1.139000      ?             ?      
1 1 1 42 30 29 o -1.582000      1.209000      ?             ?      
1 1 1 42 30 30 o 0.8129000      1.239000      ?             ?      
1 1 1 42 30 31 o -0.6058000E-01 1.397000      ?             ?      
1 1 1 42 30 32 o -0.8507000     1.374000      ?             ?      
1 1 1 42 30 33 o -0.9213000     1.370000      ?             ?      
1 1 1 42 30 34 o 1.086000       1.267000      ?             ?      
1 1 1 42 30 35 o -1.069000      1.256000      ?             ?      
1 1 1 42 30 36 o 2.826000       1.420000      ?             ?      
1 1 1 42 30 37 o 1.376000       2.166000      ?             ?      
1 1 1 42 31 0  o -1.929000      1.465000      ?             ?      
1 1 1 42 31 1  o -0.8391000     0.9815000     ?             ?      
1 1 1 42 31 2  o 0.9637000      0.9758000     ?             ?      
1 1 1 42 31 3  o -1.303000      1.126000      ?             ?      
1 1 1 42 31 4  o -0.7080000E-01 1.064000      ?             ?      
1 1 1 42 31 5  o -1.279000      1.076000      ?             ?      
1 1 1 42 31 6  o -0.6372000     1.122000      ?             ?      
1 1 1 42 31 7  o -0.8382000     1.126000      ?             ?      
1 1 1 42 31 8  o -0.1937000E-02 1.148000      ?             ?      
1 1 1 42 31 9  o 0.9582000      1.298000      ?             ?      
1 1 1 42 31 10 o 0.5459000      1.246000      ?             ?      
1 1 1 42 31 11 o -0.3090000     1.249000      ?             ?      
1 1 1 42 31 12 o -0.1204000     1.243000      ?             ?      
1 1 1 42 31 13 o -1.415000      1.103000      ?             ?      
1 1 1 42 31 14 o -2.251000      1.031000      ?             ?      
1 1 1 42 31 15 o -0.6666000E-01 1.071000      ?             ?      
1 1 1 42 31 16 o 1.138000       1.162000      ?             ?      
1 1 1 42 31 17 o -0.2774000     1.178000      ?             ?      
1 1 1 42 31 18 o -1.613000      1.165000      ?             ?      
1 1 1 42 31 19 o 0.1488000E-01  1.173000      ?             ?      
1 1 1 42 31 20 o -0.5136000     1.163000      ?             ?      
1 1 1 42 31 21 o 1.423000       1.192000      ?             ?      
1 1 1 42 31 22 o -1.207000      1.174000      ?             ?      
1 1 1 42 31 23 o 1.124000       1.197000      ?             ?      
1 1 1 42 31 24 o -0.8256000     1.174000      ?             ?      
1 1 1 42 31 25 o -0.1588000     1.156000      ?             ?      
1 1 1 42 31 26 o -0.6724000     1.149000      ?             ?      
1 1 1 42 31 27 o -0.7658000     1.150000      ?             ?      
1 1 1 42 31 28 o -0.7903000E-01 1.141000      ?             ?      
1 1 1 42 31 29 o -0.3035000     1.127000      ?             ?      
1 1 1 42 31 30 o -1.262000      1.150000      ?             ?      
1 1 1 42 31 31 o 0.7324000E-01  2.348000      ?             ?      
1 1 1 42 31 32 o 1.578000       1.848000      ?             ?      
1 1 1 42 31 33 o -0.4019000     1.254000      ?             ?      
1 1 1 42 31 34 o -2.632000      1.505000      ?             ?      
1 1 1 42 31 35 o -2.632000      1.438000      ?             ?      
1 1 1 42 31 36 o -2.280000      2.212000      ?             ?      
1 1 1 42 32 0  o -1.048000      1.462000      ?             ?      
1 1 1 42 32 1  o -0.4776000E-01 0.9605000     ?             ?      
1 1 1 42 32 2  o 0.4578000      0.9575000     ?             ?      
1 1 1 42 32 3  o 0.4630000      1.079000      ?             ?      
1 1 1 42 32 4  o 0.3280000      1.049000      ?             ?      
1 1 1 42 32 5  o -1.761000      1.108000      ?             ?      
1 1 1 42 32 6  o -0.8688000     1.115000      ?             ?      
1 1 1 42 32 7  o -0.5573000     1.135000      ?             ?      
1 1 1 42 32 8  o -2.448000      1.151000      ?             ?      
1 1 1 42 32 9  o -0.2359000     1.293000      ?             ?      
1 1 1 42 32 10 o -0.2748000     1.252000      ?             ?      
1 1 1 42 32 11 o 0.9834000      1.267000      ?             ?      
1 1 1 42 32 12 o 0.6203000E-01  1.284000      ?             ?      
1 1 1 42 32 13 o -0.1990000E-01 1.146000      ?             ?      
1 1 1 42 32 14 o -0.1986000     1.147000      ?             ?      
1 1 1 42 32 15 o 0.3699000      1.089000      ?             ?      
1 1 1 42 32 16 o -1.817000      1.174000      ?             ?      
1 1 1 42 32 17 o -0.9309000     1.176000      ?             ?      
1 1 1 42 32 18 o 0.5682000      1.171000      ?             ?      
1 1 1 42 32 19 o 0.6589000      1.172000      ?             ?      
1 1 1 42 32 20 o -0.1896000     1.196000      ?             ?      
1 1 1 42 32 21 o -0.3207000     1.178000      ?             ?      
1 1 1 42 32 22 o 1.582000       1.196000      ?             ?      
1 1 1 42 32 23 o 1.691000       1.205000      ?             ?      
1 1 1 42 32 24 o 1.269000       1.187000      ?             ?      
1 1 1 42 32 25 o 0.6524000      1.192000      ?             ?      
1 1 1 42 32 26 o -1.072000      1.155000      ?             ?      
1 1 1 42 32 27 o -1.133000      1.146000      ?             ?      
1 1 1 42 32 28 o 0.5135000      1.146000      ?             ?      
1 1 1 42 32 29 o -0.2531000     1.144000      ?             ?      
1 1 1 42 32 30 o -0.3449000     1.298000      ?             ?      
1 1 1 42 32 31 o 0.4062000      1.456000      ?             ?      
1 1 1 42 32 32 o -0.7282000     1.501000      ?             ?      
1 1 1 42 32 33 o -0.1038000     1.350000      ?             ?      
1 1 1 42 32 34 o -1.742000      1.306000      ?             ?      
1 1 1 42 32 35 o 4.981000       4.180000      ?             ?      
1 1 1 42 33 0  o 0.9994000      1.447000      ?             ?      
1 1 1 42 33 1  o -0.1494000     0.8942000     ?             ?      
1 1 1 42 33 2  o -1.251000      0.9554000     ?             ?      
1 1 1 42 33 3  o -1.302000      1.079000      ?             ?      
1 1 1 42 33 4  o -0.3523000     1.034000      ?             ?      
1 1 1 42 33 5  o 0.4585000E-01  1.069000      ?             ?      
1 1 1 42 33 6  o -0.4450000     1.122000      ?             ?      
1 1 1 42 33 7  o -1.287000      1.128000      ?             ?      
1 1 1 42 33 8  o 0.6001000E-01  1.168000      ?             ?      
1 1 1 42 33 9  o -2.531000      1.223000      ?             ?      
1 1 1 42 33 10 o 1.269000       1.260000      ?             ?      
1 1 1 42 33 11 o -0.7789000     1.273000      ?             ?      
1 1 1 42 33 12 o -0.2608000     1.152000      ?             ?      
1 1 1 42 33 13 o -1.498000      1.150000      ?             ?      
1 1 1 42 33 14 o 0.2760000      1.160000      ?             ?      
1 1 1 42 33 15 o -0.7160000     1.100000      ?             ?      
1 1 1 42 33 16 o -0.9370000     1.105000      ?             ?      
1 1 1 42 33 17 o -1.466000      1.186000      ?             ?      
1 1 1 42 33 18 o -1.205000      1.181000      ?             ?      
1 1 1 42 33 19 o -0.6967000     1.208000      ?             ?      
1 1 1 42 33 20 o -1.892000      1.186000      ?             ?      
1 1 1 42 33 21 o 0.7951000      1.191000      ?             ?      
1 1 1 42 33 22 o 0.2175000      1.213000      ?             ?      
1 1 1 42 33 23 o -0.8294000E-01 1.201000      ?             ?      
1 1 1 42 33 24 o 1.514000       1.191000      ?             ?      
1 1 1 42 33 25 o 0.7911000      1.199000      ?             ?      
1 1 1 42 33 26 o 0.3446000E-01  1.201000      ?             ?      
1 1 1 42 33 27 o -0.1354000     1.190000      ?             ?      
1 1 1 42 33 28 o 0.8472000      1.166000      ?             ?      
1 1 1 42 33 29 o -0.1198000     1.157000      ?             ?      
1 1 1 42 33 30 o -0.5081000     1.513000      ?             ?      
1 1 1 42 33 31 o 0.6173000E-01  1.492000      ?             ?      
1 1 1 42 33 32 o -0.3285000     1.294000      ?             ?      
1 1 1 42 33 33 o -0.3841000     1.559000      ?             ?      
1 1 1 42 33 34 < 0.000000       -1.000000     ?             ?      
1 1 1 42 34 0  o 0.2422000      1.460000      ?             ?      
1 1 1 42 34 1  o 0.5733000      0.8924000     ?             ?      
1 1 1 42 34 2  o -0.6705000     0.8981000     ?             ?      
1 1 1 42 34 3  o -0.5710000     1.044000      ?             ?      
1 1 1 42 34 4  o 1.654000       1.064000      ?             ?      
1 1 1 42 34 5  o -1.808000      1.063000      ?             ?      
1 1 1 42 34 6  o -2.442000      1.086000      ?             ?      
1 1 1 42 34 7  o -2.016000      1.139000      ?             ?      
1 1 1 42 34 8  o -1.143000      1.266000      ?             ?      
1 1 1 42 34 9  o -2.966000      1.213000      ?             ?      
1 1 1 42 34 10 o 1.025000       1.257000      ?             ?      
1 1 1 42 34 11 o -1.281000      1.268000      ?             ?      
1 1 1 42 34 12 o 0.6814000      1.159000      ?             ?      
1 1 1 42 34 13 o -0.5724000     1.160000      ?             ?      
1 1 1 42 34 14 o 1.582000       1.179000      ?             ?      
1 1 1 42 34 15 o -1.694000      1.177000      ?             ?      
1 1 1 42 34 16 o 0.5405000      1.111000      ?             ?      
1 1 1 42 34 17 o 0.2666000      1.176000      ?             ?      
1 1 1 42 34 18 f 0.3915000      1.215000      ?             ?      
1 1 1 42 34 19 o 0.2489000E-01  1.201000      ?             ?      
1 1 1 42 34 20 o -0.6801000     1.209000      ?             ?      
1 1 1 42 34 21 o 1.628000       1.212000      ?             ?      
1 1 1 42 34 22 o -0.1773000     1.221000      ?             ?      
1 1 1 42 34 23 o 0.2099000      1.192000      ?             ?      
1 1 1 42 34 24 o -1.177000      1.190000      ?             ?      
1 1 1 42 34 25 o 0.1228000      1.184000      ?             ?      
1 1 1 42 34 26 o -0.6248000     1.246000      ?             ?      
1 1 1 42 34 27 o -1.107000      1.226000      ?             ?      
1 1 1 42 34 28 o 0.4125000      1.257000      ?             ?      
1 1 1 42 34 29 o 0.7233000      1.590000      ?             ?      
1 1 1 42 34 30 o -1.355000      1.537000      ?             ?      
1 1 1 42 34 31 o 2.246000       1.315000      ?             ?      
1 1 1 42 34 32 o 0.8062000E-01  1.546000      ?             ?      
1 1 1 42 35 0  o -0.5956000     1.465000      ?             ?      
1 1 1 42 35 1  o 0.3128000      0.9004000     ?             ?      
1 1 1 42 35 2  o 1.195000       0.9270000     ?             ?      
1 1 1 42 35 3  o 1.271000       0.9898000     ?             ?      
1 1 1 42 35 4  o -0.1837000     1.008000      ?             ?      
1 1 1 42 35 5  o 1.060000       1.069000      ?             ?      
1 1 1 42 35 6  o 0.5333000      1.091000      ?             ?      
1 1 1 42 35 7  o -0.5062000     1.130000      ?             ?      
1 1 1 42 35 8  o -2.302000      1.260000      ?             ?      
1 1 1 42 35 9  o -0.8030000     1.225000      ?             ?      
1 1 1 42 35 10 o 0.6756000      1.269000      ?             ?      
1 1 1 42 35 11 o 0.4058000E-01  1.139000      ?             ?      
1 1 1 42 35 12 o 2.291000       1.153000      ?             ?      
1 1 1 42 35 13 o 0.9469000      1.169000      ?             ?      
1 1 1 42 35 14 o 0.1764000      1.194000      ?             ?      
1 1 1 42 35 15 o 0.3154000      1.190000      ?             ?      
1 1 1 42 35 16 o -0.2577000     1.183000      ?             ?      
1 1 1 42 35 17 o 0.1997000      1.221000      ?             ?      
1 1 1 42 35 18 o 1.068000       1.211000      ?             ?      
1 1 1 42 35 19 o 0.3509000      1.212000      ?             ?      
1 1 1 42 35 20 o 1.510000       1.218000      ?             ?      
1 1 1 42 35 21 o 0.9331000      1.221000      ?             ?      
1 1 1 42 35 22 o -0.5686000     1.228000      ?             ?      
1 1 1 42 35 23 o -0.3172000     1.196000      ?             ?      
1 1 1 42 35 24 o 0.2012000      1.211000      ?             ?      
1 1 1 42 35 25 o 0.3190000      1.276000      ?             ?      
1 1 1 42 35 26 o -2.481000      1.236000      ?             ?      
1 1 1 42 35 27 o -1.883000      2.161000      ?             ?      
1 1 1 42 35 28 o 1.593000       1.420000      ?             ?      
1 1 1 42 35 29 o 1.166000       1.638000      ?             ?      
1 1 1 42 35 30 o 3.754000       4.394000      ?             ?      
1 1 1 42 35 31 o 3.312000       2.468000      ?             ?      
1 1 1 42 36 0  o 0.5944000      1.492000      ?             ?      
1 1 1 42 36 1  o 0.1332000      0.9471000     ?             ?      
1 1 1 42 36 2  o 1.421000       0.9360000     ?             ?      
1 1 1 42 36 3  o 0.9539000      1.001000      ?             ?      
1 1 1 42 36 4  o -0.3517000     1.020000      ?             ?      
1 1 1 42 36 5  o 0.6318000      1.026000      ?             ?      
1 1 1 42 36 6  o -0.3435000     1.094000      ?             ?      
1 1 1 42 36 7  o -2.056000      1.234000      ?             ?      
1 1 1 42 36 8  o -0.2813000     1.207000      ?             ?      
1 1 1 42 36 9  o -0.3534000     1.246000      ?             ?      
1 1 1 42 36 10 o 1.053000       1.251000      ?             ?      
1 1 1 42 36 11 o 0.4658000      1.139000      ?             ?      
1 1 1 42 36 12 o -0.5940000     1.151000      ?             ?      
1 1 1 42 36 13 o 0.4519000      1.171000      ?             ?      
1 1 1 42 36 14 o -0.3834000     1.241000      ?             ?      
1 1 1 42 36 15 o 1.253000       1.207000      ?             ?      
1 1 1 42 36 16 o 1.165000       1.215000      ?             ?      
1 1 1 42 36 17 o -0.8417000     1.337000      ?             ?      
1 1 1 42 36 18 f -1.325000      1.335000      ?             ?      
1 1 1 42 36 19 o 0.4283000      1.226000      ?             ?      
1 1 1 42 36 20 o -0.5163000     1.225000      ?             ?      
1 1 1 42 36 21 o 0.3583000E-01  1.226000      ?             ?      
1 1 1 42 36 22 o -0.2112000     1.246000      ?             ?      
1 1 1 42 36 23 o 0.7320000      1.281000      ?             ?      
1 1 1 42 36 24 o -1.196000      1.210000      ?             ?      
1 1 1 42 36 25 o -0.8922000     1.214000      ?             ?      
1 1 1 42 36 26 o 1.013000       1.218000      ?             ?      
1 1 1 42 36 27 o -2.335000      1.259000      ?             ?      
1 1 1 42 36 28 o 1.254000       2.241000      ?             ?      
1 1 1 42 36 29 o -4.795000      4.284000      ?             ?      
1 1 1 42 37 0  o 0.2722000      1.438000      ?             ?      
1 1 1 42 37 1  o 0.9806000      0.9184000     ?             ?      
1 1 1 42 37 2  o 1.110000       1.043000      ?             ?      
1 1 1 42 37 3  o 1.900000       1.015000      ?             ?      
1 1 1 42 37 4  o 1.194000       1.020000      ?             ?      
1 1 1 42 37 5  o 0.1024000      1.033000      ?             ?      
1 1 1 42 37 6  o -0.9207000     1.068000      ?             ?      
1 1 1 42 37 7  o -1.078000      1.183000      ?             ?      
1 1 1 42 37 8  o -1.714000      1.221000      ?             ?      
1 1 1 42 37 9  o 0.4689000      1.241000      ?             ?      
1 1 1 42 37 10 o 0.2156000      1.124000      ?             ?      
1 1 1 42 37 11 o 0.8402000      1.134000      ?             ?      
1 1 1 42 37 12 o 0.7987000      1.142000      ?             ?      
1 1 1 42 37 13 o 0.8226000      1.149000      ?             ?      
1 1 1 42 37 14 o -1.703000      1.196000      ?             ?      
1 1 1 42 37 15 o -1.688000      1.352000      ?             ?      
1 1 1 42 37 16 o 0.5954000      1.332000      ?             ?      
1 1 1 42 37 17 o -0.7145000     1.335000      ?             ?      
1 1 1 42 37 18 o -1.741000      1.361000      ?             ?      
1 1 1 42 37 19 o 0.7137000E-01  1.391000      ?             ?      
1 1 1 42 37 20 o 3.215000       1.332000      ?             ?      
1 1 1 42 37 21 o 0.2524000      1.253000      ?             ?      
1 1 1 42 37 22 o -2.097000      1.203000      ?             ?      
1 1 1 42 37 23 o -0.9394000     1.235000      ?             ?      
1 1 1 42 37 24 o 1.042000       1.245000      ?             ?      
1 1 1 42 37 25 o -0.3530000E-01 1.234000      ?             ?      
1 1 1 42 37 26 o -1.690000      3.075000      ?             ?      
1 1 1 42 37 27 o 3.601000       2.264000      ?             ?      
1 1 1 42 38 0  o 1.088000       1.292000      ?             ?      
1 1 1 42 38 1  o 1.005000       0.9219000     ?             ?      
1 1 1 42 38 2  o -1.385000      1.044000      ?             ?      
1 1 1 42 38 3  o 1.007000       1.031000      ?             ?      
1 1 1 42 38 4  o -0.1454000     1.035000      ?             ?      
1 1 1 42 38 5  o 1.080000       1.051000      ?             ?      
1 1 1 42 38 6  o -0.4429000     1.192000      ?             ?      
1 1 1 42 38 7  o -2.658000      1.168000      ?             ?      
1 1 1 42 38 8  o -1.824000      1.199000      ?             ?      
1 1 1 42 38 9  o 0.1268000      1.262000      ?             ?      
1 1 1 42 38 10 o -0.2990000     1.134000      ?             ?      
1 1 1 42 38 11 o 0.1703000      1.133000      ?             ?      
1 1 1 42 38 12 o 2.027000       1.259000      ?             ?      
1 1 1 42 38 13 o -0.2417000E-02 1.259000      ?             ?      
1 1 1 42 38 14 o 0.1578000      1.196000      ?             ?      
1 1 1 42 38 15 o -0.3030000     1.211000      ?             ?      
1 1 1 42 38 16 o -0.7477000     1.299000      ?             ?      
1 1 1 42 38 17 o 1.346000       1.462000      ?             ?      
1 1 1 42 38 18 o 0.7999000      1.422000      ?             ?      
1 1 1 42 38 19 o -2.014000      1.359000      ?             ?      
1 1 1 42 38 20 o 2.027000       2.444000      ?             ?      
1 1 1 42 38 21 o -0.1945000     2.138000      ?             ?      
1 1 1 42 38 22 o 0.8431000      1.231000      ?             ?      
1 1 1 42 38 23 o 0.3239000      1.254000      ?             ?      
1 1 1 42 38 24 o 1.204000       1.620000      ?             ?      
1 1 1 42 38 25 o -1.656000      1.180000      ?             ?      
1 1 1 42 38 26 o 2.014000       2.073000      ?             ?      
1 1 1 42 39 0  o 0.2483000      1.286000      ?             ?      
1 1 1 42 39 1  o -0.1844000     0.9130000     ?             ?      
1 1 1 42 39 2  o -0.1744000     1.088000      ?             ?      
1 1 1 42 39 3  o 0.6806000E-03  1.030000      ?             ?      
1 1 1 42 39 4  o -1.401000      1.052000      ?             ?      
1 1 1 42 39 5  o -0.2423000E-01 1.075000      ?             ?      
1 1 1 42 39 6  o -0.7439000     1.210000      ?             ?      
1 1 1 42 39 7  o 0.1237000      1.204000      ?             ?      
1 1 1 42 39 8  o 0.6083000      1.221000      ?             ?      
1 1 1 42 39 9  o -1.365000      1.223000      ?             ?      
1 1 1 42 39 10 o -1.873000      1.200000      ?             ?      
1 1 1 42 39 11 o 1.250000       1.158000      ?             ?      
1 1 1 42 39 12 o 0.9908000      1.162000      ?             ?      
1 1 1 42 39 13 o -0.9522000E-01 2.041000      ?             ?      
1 1 1 42 39 14 o 0.2836000      1.229000      ?             ?      
1 1 1 42 39 15 o -0.8700000E-01 1.279000      ?             ?      
1 1 1 42 39 16 o -0.8257000     1.251000      ?             ?      
1 1 1 42 39 17 o 0.6237000      1.387000      ?             ?      
1 1 1 42 39 18 o 1.589000       1.380000      ?             ?      
1 1 1 42 39 19 o -0.8052000     1.362000      ?             ?      
1 1 1 42 39 20 o -1.221000      1.354000      ?             ?      
1 1 1 42 39 21 o -1.142000      1.361000      ?             ?      
1 1 1 42 39 22 o 1.443000       1.600000      ?             ?      
1 1 1 42 39 23 o -1.900000      1.626000      ?             ?      
1 1 1 42 39 24 o -2.210000      2.036000      ?             ?      
1 1 1 42 40 0  o -0.5885000E-01 1.289000      ?             ?      
1 1 1 42 40 1  o -0.7580000     0.9348000     ?             ?      
1 1 1 42 40 2  o -0.4263000     1.113000      ?             ?      
1 1 1 42 40 3  f 0.1293000      1.064000      ?             ?      
1 1 1 42 40 4  o -0.1607000     1.079000      ?             ?      
1 1 1 42 40 5  o 1.740000       1.205000      ?             ?      
1 1 1 42 40 6  o 0.7121000      1.207000      ?             ?      
1 1 1 42 40 7  o -0.7365000     1.375000      ?             ?      
1 1 1 42 40 8  o -1.209000      1.233000      ?             ?      
1 1 1 42 40 9  o -0.2338000     1.104000      ?             ?      
1 1 1 42 40 10 o -0.8732000E-01 1.112000      ?             ?      
1 1 1 42 40 11 o -1.089000      1.141000      ?             ?      
1 1 1 42 40 12 o -0.3796000     1.200000      ?             ?      
1 1 1 42 40 13 o 2.359000       1.256000      ?             ?      
1 1 1 42 40 14 o -0.7820000     1.219000      ?             ?      
1 1 1 42 40 15 o 1.238000       1.216000      ?             ?      
1 1 1 42 40 16 o -1.158000      1.213000      ?             ?      
1 1 1 42 40 17 o 0.3603000      1.366000      ?             ?      
1 1 1 42 40 18 o -0.8832000     1.390000      ?             ?      
1 1 1 42 40 19 o -1.544000      1.347000      ?             ?      
1 1 1 42 40 20 o 0.9806000      1.601000      ?             ?      
1 1 1 42 40 21 o -0.9722000     1.581000      ?             ?      
1 1 1 42 41 0  o -0.3109000     1.318000      ?             ?      
1 1 1 42 41 1  o -0.2340000     1.075000      ?             ?      
1 1 1 42 41 2  o 0.4775000      1.136000      ?             ?      
1 1 1 42 41 3  o 1.755000       1.814000      ?             ?      
1 1 1 42 41 4  o 0.4898000      1.192000      ?             ?      
1 1 1 42 41 5  f 1.150000       1.371000      ?             ?      
1 1 1 42 41 6  o -1.106000      1.214000      ?             ?      
1 1 1 42 41 7  o -0.2627000     1.224000      ?             ?      
1 1 1 42 41 8  o 1.236000       1.234000      ?             ?      
1 1 1 42 41 9  o -0.9561000     1.212000      ?             ?      
1 1 1 42 41 10 o 2.766000       1.171000      ?             ?      
1 1 1 42 41 11 o 0.5145000      1.160000      ?             ?      
1 1 1 42 41 12 o -0.9717000E-01 1.178000      ?             ?      
1 1 1 42 41 13 o -0.5683000     1.183000      ?             ?      
1 1 1 42 41 14 o 2.183000       1.224000      ?             ?      
1 1 1 42 41 15 o 3.258000       1.226000      ?             ?      
1 1 1 42 41 16 o 1.208000       1.616000      ?             ?      
1 1 1 42 41 17 o -2.096000      1.623000      ?             ?      
1 1 1 42 41 18 o 3.119000       1.653000      ?             ?      
1 1 1 42 41 19 o 0.2491000      1.960000      ?             ?      
1 1 1 42 42 0  o -0.6952000     1.362000      ?             ?      
1 1 1 42 42 1  o 0.6386000      1.298000      ?             ?      
1 1 1 42 42 2  f 0.7463000      1.234000      ?             ?      
1 1 1 42 42 3  o 0.8807000      1.097000      ?             ?      
1 1 1 42 42 4  o -0.9606000     1.897000      ?             ?      
1 1 1 42 42 5  o -1.832000      1.227000      ?             ?      
1 1 1 42 42 6  o 0.4906000      1.279000      ?             ?      
1 1 1 42 42 7  o -0.8856000     1.269000      ?             ?      
1 1 1 42 42 8  o 0.4393000E-01  1.118000      ?             ?      
1 1 1 42 42 9  o -1.057000      1.110000      ?             ?      
1 1 1 42 42 10 o -1.152000      1.153000      ?             ?      
1 1 1 42 42 11 o 0.8404000      1.163000      ?             ?      
1 1 1 42 42 12 o 1.196000       1.283000      ?             ?      
1 1 1 42 42 13 o 0.7676000      1.300000      ?             ?      
1 1 1 42 42 14 o 0.7177000      1.601000      ?             ?      
1 1 1 42 42 15 o 0.9658000      1.576000      ?             ?      
1 1 1 42 42 16 < 0.000000       -1.000000     ?             ?      
1 1 1 42 43 0  o -0.6140000     1.381000      ?             ?      
1 1 1 42 43 1  o 2.669000       1.246000      ?             ?      
1 1 1 42 43 2  o -0.4604000     1.172000      ?             ?      
1 1 1 42 43 3  o 0.2414000      1.202000      ?             ?      
1 1 1 42 43 4  o 0.5205000      1.261000      ?             ?      
1 1 1 42 43 5  o 0.4402000      1.241000      ?             ?      
1 1 1 42 43 6  o -0.1831000     1.209000      ?             ?      
1 1 1 42 43 7  o -2.108000      1.401000      ?             ?      
1 1 1 42 43 8  o -0.5223000     1.220000      ?             ?      
1 1 1 42 43 9  o -1.184000      1.606000      ?             ?      
1 1 1 42 43 10 o -0.1817000     1.054000      ?             ?      
1 1 1 42 43 11 o -0.7568000E-01 1.541000      ?             ?      
1 1 1 42 43 12 < 0.000000       -1.000000     ?             ?      
1 1 1 42 44 0  o -0.6146000     3.909000      ?             ?      
1 1 1 42 44 1  o 0.1034000      2.822000      ?             ?      
1 1 1 42 44 2  o -1.868000      1.682000      ?             ?      
1 1 1 42 44 3  o 0.9414000      1.286000      ?             ?      
1 1 1 42 44 4  o 1.127000       1.336000      ?             ?      
1 1 1 42 44 5  o -0.2894000     1.593000      ?             ?      
1 1 1 42 44 6  < 0.000000       -1.000000     ?             ?      
1 1 1 43 0  1  o -2.167000      1.321000      23.25262      -90.0  
1 1 1 43 0  2  o -1.059000      1.327000      3.095778      180.0  
1 1 1 43 0  3  o 0.3079000      1.328000      4.128581      -90.0  
1 1 1 43 0  4  o 0.4827000      1.333000      5.833827      180.0  
1 1 1 43 0  5  o 0.9759000      1.341000      65.74387      90.0   
1 1 1 43 0  6  o -0.6381000     1.339000      72.97096      -0.0   
1 1 1 43 0  7  o -1.492000      1.362000      23.10230      90.0   
1 1 1 43 0  8  o -0.7846000     1.453000      15.22715      -180.0 
1 1 1 43 0  9  o -0.4550000     1.549000      4.557615      -90.0  
1 1 1 43 0  10 o -1.856000      1.550000      65.94125      0.0    
1 1 1 43 0  11 o 1.829000       1.591000      22.11908      -90.0  
1 1 1 43 0  12 o -1.443000      1.859000      9.287197      180.0  
1 1 1 43 0  13 o 2.110000       2.172000      17.20444      90.0   
1 1 1 43 0  14 o -0.1362000     2.195000      25.45148      180.0  
1 1 1 43 0  15 o -4.083000      3.227000      19.94567      -90.0  
1 1 1 43 0  16 o -0.6448000     1.891000      23.72401      180.0  
1 1 1 43 0  17 o -1.108000      2.105000      25.86167      -90.0  
1 1 1 43 0  18 o 0.7557000      2.108000      ?             ?      
1 1 1 43 0  19 o 1.601000       2.827000      ?             ?      
1 1 1 43 0  20 o -2.478000      2.140000      ?             ?      
1 1 1 43 0  21 o -2.185000      1.726000      ?             ?      
1 1 1 43 0  22 o -1.755000      1.702000      ?             ?      
1 1 1 43 0  23 o -1.896000      1.535000      ?             ?      
1 1 1 43 0  24 o -0.4531000     1.348000      ?             ?      
1 1 1 43 0  25 o -0.4141000     1.317000      ?             ?      
1 1 1 43 0  26 o -1.158000      1.307000      ?             ?      
1 1 1 43 0  27 o 0.2793000E-01  1.285000      ?             ?      
1 1 1 43 0  28 o -0.9603000     1.271000      ?             ?      
1 1 1 43 0  29 o 0.4955000      1.266000      ?             ?      
1 1 1 43 0  30 o -0.4311000     1.249000      ?             ?      
1 1 1 43 0  31 o 1.288000       1.257000      ?             ?      
1 1 1 43 0  32 o 1.263000       1.249000      ?             ?      
1 1 1 43 0  33 o 0.6526000E-01  1.377000      ?             ?      
1 1 1 43 0  34 o -1.103000      1.455000      ?             ?      
1 1 1 43 0  35 o -1.577000      1.329000      ?             ?      
1 1 1 43 0  36 o -0.8052000E-01 1.326000      ?             ?      
1 1 1 43 0  37 o -1.755000      1.331000      ?             ?      
1 1 1 43 0  38 o -1.586000      1.248000      ?             ?      
1 1 1 43 0  39 o 1.024000       1.275000      ?             ?      
1 1 1 43 0  40 o -0.9715000     1.293000      ?             ?      
1 1 1 43 0  41 o -0.3329000     1.320000      ?             ?      
1 1 1 43 0  42 o -0.4959000     1.343000      ?             ?      
1 1 1 43 0  43 o -0.5578000     1.343000      ?             ?      
1 1 1 43 0  44 o 1.003000       1.804000      ?             ?      
1 1 1 43 0  45 o -0.7592000     1.785000      ?             ?      
1 1 1 43 0  46 o -0.3041000     2.168000      ?             ?      
1 1 1 43 0  47 o -0.2559000     1.709000      ?             ?      
1 1 1 43 0  48 o 0.9851000      1.689000      ?             ?      
1 1 1 43 0  49 o 2.080000       3.837000      ?             ?      
1 1 1 43 1  0  o 0.2939000      1.333000      50.04103      90.0   
1 1 1 43 1  1  o 0.4089000      0.9352000     10.96453      92.7   
1 1 1 43 1  2  o 1.475000       0.9359000     11.35931      179.8  
1 1 1 43 1  3  o -0.4436000     0.9418000     32.96288      26.8   
1 1 1 43 1  4  o -0.8586000     0.9437000     7.702243      80.1   
1 1 1 43 1  5  o -1.039000      0.9406000     53.31470      173.9  
1 1 1 43 1  6  o -1.645000      0.9477000     37.77581      -126.6 
1 1 1 43 1  7  o -0.8136000     0.9731000     10.85551      99.0   
1 1 1 43 1  8  o -0.5522000     1.045000      9.395381      160.0  
1 1 1 43 1  9  o -0.6114000     1.095000      37.35774      69.9   
1 1 1 43 1  10 o -1.571000      1.108000      19.21811      -117.5 
1 1 1 43 1  11 o -0.6399000     1.225000      39.56875      116.3  
1 1 1 43 1  12 o -1.650000      1.434000      8.403157      118.8  
1 1 1 43 1  13 o -2.955000      1.486000      51.45617      19.8   
1 1 1 43 1  14 o -1.248000      1.608000      21.66562      129.7  
1 1 1 43 1  15 o -0.4444000     1.894000      34.40870      -110.2 
1 1 1 43 1  16 o -4.395000      1.888000      18.19573      -87.1  
1 1 1 43 1  17 o -0.8736000     1.385000      9.915490      -161.5 
1 1 1 43 1  18 o 0.4562000      1.782000      ?             ?      
1 1 1 43 1  19 o 0.3559000      1.594000      ?             ?      
1 1 1 43 1  20 o 0.3705000      1.419000      ?             ?      
1 1 1 43 1  21 o -1.155000      1.227000      ?             ?      
1 1 1 43 1  22 o -0.7469000     1.152000      ?             ?      
1 1 1 43 1  23 o -1.912000      1.024000      ?             ?      
1 1 1 43 1  24 o -1.315000      0.9517000     ?             ?      
1 1 1 43 1  25 o -0.8629000     0.9817000     ?             ?      
1 1 1 43 1  26 o 0.6293000      0.9306000     ?             ?      
1 1 1 43 1  27 o 0.7694000      0.9168000     ?             ?      
1 1 1 43 1  28 o 0.4769000      0.9071000     ?             ?      
1 1 1 43 1  29 o -0.4266000     0.8960000     ?             ?      
1 1 1 43 1  30 o -0.5218000     0.8875000     ?             ?      
1 1 1 43 1  31 o -0.3037000     0.9307000     ?             ?      
1 1 1 43 1  32 o -0.5613000     0.9178000     ?             ?      
1 1 1 43 1  33 o -0.2006000     0.9190000     ?             ?      
1 1 1 43 1  34 o 0.4496000      0.9201000     ?             ?      
1 1 1 43 1  35 o 0.4917000      0.8903000     ?             ?      
1 1 1 43 1  36 o -1.273000      0.9239000     ?             ?      
1 1 1 43 1  37 o 0.3558000      0.9146000     ?             ?      
1 1 1 43 1  38 o 1.209000       0.9291000     ?             ?      
1 1 1 43 1  39 f -1.231000      0.9326000     ?             ?      
1 1 1 43 1  40 o -1.350000      0.9161000     ?             ?      
1 1 1 43 1  41 o -1.245000      0.9274000     ?             ?      
1 1 1 43 1  42 o 0.5049000      0.9382000     ?             ?      
1 1 1 43 1  43 o -1.861000      0.9520000     ?             ?      
1 1 1 43 1  44 o -0.2671000     1.129000      ?             ?      
1 1 1 43 1  45 o -3.056000      1.278000      ?             ?      
1 1 1 43 1  46 o -2.700000      1.350000      ?             ?      
1 1 1 43 1  47 o 0.4755000      1.162000      ?             ?      
1 1 1 43 1  48 o 1.813000       1.542000      ?             ?      
1 1 1 43 1  49 o -3.361000      2.022000      ?             ?      
1 1 1 43 2  0  o -0.7346000     1.330000      26.37618      90.0   
1 1 1 43 2  1  o 0.2955000      0.9402000     32.89022      29.0   
1 1 1 43 2  2  o 0.5912000      0.9410000     54.72863      -174.5 
1 1 1 43 2  3  o 1.823000       0.9349000     78.22374      175.7  
1 1 1 43 2  4  o 2.379000       0.9473000     36.42979      111.0  
1 1 1 43 2  5  o -0.7866000     0.9324000     30.64048      23.5   
1 1 1 43 2  6  o 0.3321000      0.9356000     37.96104      -104.6 
1 1 1 43 2  7  o -0.2108000     1.115000      34.68213      -136.5 
1 1 1 43 2  8  o 1.142000       1.022000      29.25574      -129.4 
1 1 1 43 2  9  o 0.4120000      1.091000      61.44249      96.1   
1 1 1 43 2  10 o 0.6463000      1.120000      21.99200      -119.7 
1 1 1 43 2  11 o 0.4838000      1.267000      29.96356      127.5  
1 1 1 43 2  12 o 2.140000       1.448000      48.68166      -157.6 
1 1 1 43 2  13 o -0.9037000     1.464000      38.32195      -99.5  
1 1 1 43 2  14 o 0.2300000E-01  1.539000      17.54172      136.1  
1 1 1 43 2  15 o -2.423000      1.975000      61.49604      -113.0 
1 1 1 43 2  16 o -3.032000      1.953000      43.69478      -60.9  
1 1 1 43 2  17 o -1.771000      1.455000      8.172011      114.4  
1 1 1 43 2  18 o -2.124000      1.437000      ?             ?      
1 1 1 43 2  19 o -0.8965000     1.568000      ?             ?      
1 1 1 43 2  20 o -2.453000      1.521000      ?             ?      
1 1 1 43 2  21 o 0.3270000      1.187000      ?             ?      
1 1 1 43 2  22 o -0.6378000E-01 1.156000      ?             ?      
1 1 1 43 2  23 o 0.1029000      1.061000      ?             ?      
1 1 1 43 2  24 o -0.7250000     1.008000      ?             ?      
1 1 1 43 2  25 o 0.6021000      0.9354000     ?             ?      
1 1 1 43 2  26 o 0.5795000      0.9210000     ?             ?      
1 1 1 43 2  27 o -0.9035000     0.9128000     ?             ?      
1 1 1 43 2  28 o 1.272000       0.9628000     ?             ?      
1 1 1 43 2  29 o 1.058000       0.9755000     ?             ?      
1 1 1 43 2  30 o -0.8088000     0.9143000     ?             ?      
1 1 1 43 2  31 o 0.7012000      0.9220000     ?             ?      
1 1 1 43 2  32 o 1.131000       0.9175000     ?             ?      
1 1 1 43 2  33 o -0.4039000     0.8846000     ?             ?      
1 1 1 43 2  34 o -0.4178000     0.8798000     ?             ?      
1 1 1 43 2  35 o 0.3585000E-01  0.8857000     ?             ?      
1 1 1 43 2  36 o 0.4769000      0.8876000     ?             ?      
1 1 1 43 2  37 o 0.2529000      0.8935000     ?             ?      
1 1 1 43 2  38 o 1.900000       0.9455000     ?             ?      
1 1 1 43 2  39 o -0.2916000     0.9677000     ?             ?      
1 1 1 43 2  40 o 1.139000       0.9438000     ?             ?      
1 1 1 43 2  41 o -0.8811000     0.9661000     ?             ?      
1 1 1 43 2  42 o -0.3258000     0.9384000     ?             ?      
1 1 1 43 2  43 o -0.8252000     0.9598000     ?             ?      
1 1 1 43 2  44 o -1.622000      1.266000      ?             ?      
1 1 1 43 2  45 o -1.441000      1.413000      ?             ?      
1 1 1 43 2  46 o -2.845000      1.504000      ?             ?      
1 1 1 43 2  47 o -0.8082000     1.854000      ?             ?      
1 1 1 43 2  48 o 0.3849000      1.248000      ?             ?      
1 1 1 43 2  49 o 2.518000       2.083000      ?             ?      
1 1 1 43 3  0  o -0.6998000     1.313000      76.54775      -90.0  
1 1 1 43 3  1  o 1.384000       0.9412000     145.4531      -122.0 
1 1 1 43 3  2  o 0.2248000      0.9268000     18.78730      -172.5 
1 1 1 43 3  3  o -0.2073000     0.9309000     51.27251      -73.9  
1 1 1 43 3  4  o 0.5581000E-01  0.9366000     38.07780      88.2   
1 1 1 43 3  5  o -1.480000      0.9367000     49.62953      -144.3 
1 1 1 43 3  6  o -0.1349000     0.9777000     23.94747      175.2  
1 1 1 43 3  7  o -1.186000      0.9656000     17.01063      93.0   
1 1 1 43 3  8  o -1.175000      1.016000      18.80874      -139.6 
1 1 1 43 3  9  o 1.125000       1.101000      9.911069      64.3   
1 1 1 43 3  10 o 0.2951000      1.131000      164.5546      -129.8 
1 1 1 43 3  11 o 0.7829000E-01  1.385000      79.98314      -12.6  
1 1 1 43 3  12 o -1.284000      1.492000      46.70100      -172.2 
1 1 1 43 3  13 o -1.939000      1.478000      5.463957      164.5  
1 1 1 43 3  14 o -1.443000      1.488000      53.79002      47.8   
1 1 1 43 3  15 o 0.2872000      1.482000      39.43109      -168.4 
1 1 1 43 3  16 o -1.421000      1.933000      20.38002      84.3   
1 1 1 43 3  17 o -3.820000      1.931000      ?             ?      
1 1 1 43 3  18 o 1.074000       1.420000      ?             ?      
1 1 1 43 3  19 o 0.4859000      1.540000      ?             ?      
1 1 1 43 3  20 o 1.232000       1.406000      ?             ?      
1 1 1 43 3  21 o 0.5047000      1.249000      ?             ?      
1 1 1 43 3  22 o 0.1010000      1.077000      ?             ?      
1 1 1 43 3  23 o -0.3540000     1.056000      ?             ?      
1 1 1 43 3  24 o -1.223000      1.039000      ?             ?      
1 1 1 43 3  25 o -0.3892000E-01 1.004000      ?             ?      
1 1 1 43 3  26 o -0.2578000     0.9838000     ?             ?      
1 1 1 43 3  27 o -1.273000      0.9925000     ?             ?      
1 1 1 43 3  28 o 0.1166000      0.9619000     ?             ?      
1 1 1 43 3  29 o 0.5013000      0.9265000     ?             ?      
1 1 1 43 3  30 o -0.6198000     0.8941000     ?             ?      
1 1 1 43 3  31 o -0.9285000     0.8923000     ?             ?      
1 1 1 43 3  32 o -0.2225000E-01 0.8970000     ?             ?      
1 1 1 43 3  33 o 0.1010000      0.8850000     ?             ?      
1 1 1 43 3  34 o 0.7848000      0.8786000     ?             ?      
1 1 1 43 3  35 o -0.4873000     0.8894000     ?             ?      
1 1 1 43 3  36 o 0.5026000E-02  0.8941000     ?             ?      
1 1 1 43 3  37 o -0.4744000     0.8984000     ?             ?      
1 1 1 43 3  38 o 0.8300000E-01  0.8994000     ?             ?      
1 1 1 43 3  39 o -0.2388000     0.9073000     ?             ?      
1 1 1 43 3  40 o -1.580000      0.9668000     ?             ?      
1 1 1 43 3  41 o -0.6911000     0.9966000     ?             ?      
1 1 1 43 3  42 o -1.188000      1.015000      ?             ?      
1 1 1 43 3  43 f -1.897000      1.162000      ?             ?      
1 1 1 43 3  44 o -2.861000      1.362000      ?             ?      
1 1 1 43 3  45 o -0.8284000     1.425000      ?             ?      
1 1 1 43 3  46 o -0.8029000     1.416000      ?             ?      
1 1 1 43 3  47 o -0.1329000     1.468000      ?             ?      
1 1 1 43 3  48 o 1.155000       1.184000      ?             ?      
1 1 1 43 3  49 o 1.487000       2.557000      ?             ?      
1 1 1 43 4  0  o -2.497000      1.280000      8.208330      -90.0  
1 1 1 43 4  1  o -0.7081000     0.9169000     99.56996      1.6    
1 1 1 43 4  2  o -1.402000      0.9227000     83.92325      -175.3 
1 1 1 43 4  3  o -0.1463000     0.9344000     126.8141      153.7  
1 1 1 43 4  4  o -0.6541000     0.9294000     50.15860      -94.0  
1 1 1 43 4  5  o -0.3845000     0.9653000     63.92728      -151.8 
1 1 1 43 4  6  o 0.1170000E-01  0.9808000     119.2411      -82.5  
1 1 1 43 4  7  o -1.411000      0.9890000     45.73952      -1.1   
1 1 1 43 4  8  o 0.9216000      1.030000      70.21716      -24.8  
1 1 1 43 4  9  o 0.6505000      1.061000      71.38348      55.1   
1 1 1 43 4  10 o -0.3859000     1.264000      81.24551      142.3  
1 1 1 43 4  11 o -0.3469000     1.378000      94.37426      -79.1  
1 1 1 43 4  12 o 1.227000       1.449000      109.8285      179.6  
1 1 1 43 4  13 o 0.3202000      1.525000      49.35716      135.9  
1 1 1 43 4  14 o -0.6677000     2.032000      49.65818      -167.6 
1 1 1 43 4  15 o 1.097000       1.456000      55.41574      -126.2 
1 1 1 43 4  16 o 0.4366000      2.060000      133.9109      -40.0  
1 1 1 43 4  17 o -2.796000      1.690000      ?             ?      
1 1 1 43 4  18 o -2.256000      1.436000      ?             ?      
1 1 1 43 4  19 o -0.6169000E-01 1.364000      ?             ?      
1 1 1 43 4  20 o -0.7514000     1.403000      ?             ?      
1 1 1 43 4  21 o 2.188000       1.098000      ?             ?      
1 1 1 43 4  22 o -0.1761000     1.085000      ?             ?      
1 1 1 43 4  23 o -1.612000      1.057000      ?             ?      
1 1 1 43 4  24 o -1.846000      1.041000      ?             ?      
1 1 1 43 4  25 o -0.5179000E-01 1.023000      ?             ?      
1 1 1 43 4  26 o -0.8718000E-01 0.9637000     ?             ?      
1 1 1 43 4  27 o -1.267000      0.9459000     ?             ?      
1 1 1 43 4  28 o -0.2417000     0.9076000     ?             ?      
1 1 1 43 4  29 o 0.9537000      0.9071000     ?             ?      
1 1 1 43 4  30 o -0.9785000     0.9010000     ?             ?      
1 1 1 43 4  31 o -0.1261000     0.9076000     ?             ?      
1 1 1 43 4  32 o 0.6439000      0.8970000     ?             ?      
1 1 1 43 4  33 o 0.8944000      0.8814000     ?             ?      
1 1 1 43 4  34 o 1.258000       0.8831000     ?             ?      
1 1 1 43 4  35 o 0.8040000      0.8935000     ?             ?      
1 1 1 43 4  36 o -0.7011000E-01 0.9000000     ?             ?      
1 1 1 43 4  37 o -0.3150000     0.9041000     ?             ?      
1 1 1 43 4  38 o -0.2002000     0.9102000     ?             ?      
1 1 1 43 4  39 o -0.1277000     0.9562000     ?             ?      
1 1 1 43 4  40 o -1.216000      0.9954000     ?             ?      
1 1 1 43 4  41 f 0.8404000      1.269000      ?             ?      
1 1 1 43 4  42 o -0.4395000     1.129000      ?             ?      
1 1 1 43 4  43 o -1.326000      1.244000      ?             ?      
1 1 1 43 4  44 o -0.5769000     1.280000      ?             ?      
1 1 1 43 4  45 o -0.5520000     1.154000      ?             ?      
1 1 1 43 4  46 o 0.6376000      1.823000      ?             ?      
1 1 1 43 4  47 o -0.9370000     1.373000      ?             ?      
1 1 1 43 4  48 o 0.2278000      1.174000      ?             ?      
1 1 1 43 4  49 o -1.543000      2.501000      ?             ?      
1 1 1 43 5  0  o -0.8977000     1.288000      30.27692      90.0   
1 1 1 43 5  1  o -0.1342000     0.9135000     123.2251      -124.5 
1 1 1 43 5  2  o -1.339000      0.9196000     92.91173      -172.0 
1 1 1 43 5  3  o 0.5489000      0.9322000     63.77904      -52.6  
1 1 1 43 5  4  o -0.7391000     0.9493000     116.4263      -61.5  
1 1 1 43 5  5  o -0.2751000E-01 0.9586000     17.89565      25.3   
1 1 1 43 5  6  o 1.544000       1.068000      84.81795      106.6  
1 1 1 43 5  7  o 0.4051000      0.9879000     61.64730      12.7   
1 1 1 43 5  8  o 0.3019000      1.025000      65.47443      -165.3 
1 1 1 43 5  9  o -0.8293000     1.087000      97.89788      -137.9 
1 1 1 43 5  10 o -0.2303000     1.175000      120.8361      -129.6 
1 1 1 43 5  11 o -3.066000      1.402000      63.52787      -71.2  
1 1 1 43 5  12 o -0.5587000     1.471000      51.11139      171.8  
1 1 1 43 5  13 o 1.434000       1.918000      87.42003      -77.2  
1 1 1 43 5  14 o -0.6392000     2.106000      67.49210      38.9   
1 1 1 43 5  15 o 0.9542000      1.611000      15.62065      144.4  
1 1 1 43 5  16 o -1.806000      1.695000      24.44644      -2.5   
1 1 1 43 5  17 o -2.075000      1.653000      ?             ?      
1 1 1 43 5  18 o 0.6642000      1.611000      ?             ?      
1 1 1 43 5  19 o -0.9052000     1.270000      ?             ?      
1 1 1 43 5  20 o 0.7836000      1.238000      ?             ?      
1 1 1 43 5  21 o 1.344000       1.246000      ?             ?      
1 1 1 43 5  22 o 0.4354000      1.140000      ?             ?      
1 1 1 43 5  23 o -0.9006000E-01 1.093000      ?             ?      
1 1 1 43 5  24 o -0.3442000     1.089000      ?             ?      
1 1 1 43 5  25 o -0.9835000     1.026000      ?             ?      
1 1 1 43 5  26 o 0.5856000E-02  0.9878000     ?             ?      
1 1 1 43 5  27 o -1.113000      0.9153000     ?             ?      
1 1 1 43 5  28 o 0.6817000      0.9061000     ?             ?      
1 1 1 43 5  29 o 0.8522000      0.9078000     ?             ?      
1 1 1 43 5  30 o 0.4638000      0.9025000     ?             ?      
1 1 1 43 5  31 o -0.8490000     0.9072000     ?             ?      
1 1 1 43 5  32 o -0.7485000     0.8877000     ?             ?      
1 1 1 43 5  33 o -1.076000      0.8746000     ?             ?      
1 1 1 43 5  34 o 0.3708000      0.8884000     ?             ?      
1 1 1 43 5  35 o -1.326000      0.8877000     ?             ?      
1 1 1 43 5  36 o -0.4946000     0.9011000     ?             ?      
1 1 1 43 5  37 o -1.619000      0.9468000     ?             ?      
1 1 1 43 5  38 o 0.2070000      0.9799000     ?             ?      
1 1 1 43 5  39 o -1.624000      1.327000      ?             ?      
1 1 1 43 5  40 o 0.6227000      0.9449000     ?             ?      
1 1 1 43 5  41 o -0.3588000     0.9281000     ?             ?      
1 1 1 43 5  42 o -1.140000      0.9514000     ?             ?      
1 1 1 43 5  43 o 0.5826000      1.104000      ?             ?      
1 1 1 43 5  44 o -0.1800000     1.148000      ?             ?      
1 1 1 43 5  45 o 0.6829000      1.177000      ?             ?      
1 1 1 43 5  46 o -3.543000      1.880000      ?             ?      
1 1 1 43 5  47 o -0.5219000     1.315000      ?             ?      
1 1 1 43 5  48 o 2.251000       1.311000      ?             ?      
1 1 1 43 6  0  o -0.6819000     1.328000      221.8636      -90.0  
1 1 1 43 6  1  o -0.5128000     0.9321000     64.35509      26.0   
1 1 1 43 6  2  o 0.7821000      0.9356000     69.06784      82.5   
1 1 1 43 6  3  o -1.079000      0.9383000     49.18250      -159.2 
1 1 1 43 6  4  o 0.8834000      0.9531000     130.7301      -98.3  
1 1 1 43 6  5  o -0.1733000     0.9575000     167.5849      25.2   
1 1 1 43 6  6  o -0.3500000     0.9669000     104.4163      -57.8  
1 1 1 43 6  7  o -0.2912000     0.9830000     31.02268      142.8  
1 1 1 43 6  8  o 0.3319000      1.057000      57.60766      -53.7  
1 1 1 43 6  9  o 0.6298000      1.078000      25.83487      -12.4  
1 1 1 43 6  10 o 0.7531000      1.169000      16.00405      -29.4  
1 1 1 43 6  11 o -0.5706000     1.386000      72.77576      -57.3  
1 1 1 43 6  12 o -2.689000      1.915000      32.06340      123.5  
1 1 1 43 6  13 o -0.4274000     1.957000      68.90538      109.7  
1 1 1 43 6  14 o 0.2436000      1.389000      49.95909      36.3   
1 1 1 43 6  15 o 0.4337000      2.475000      22.98284      -111.5 
1 1 1 43 6  16 o -1.946000      1.656000      ?             ?      
1 1 1 43 6  17 o 4.069000       1.858000      ?             ?      
1 1 1 43 6  18 o -1.255000      1.454000      ?             ?      
1 1 1 43 6  19 o -0.6328000     1.346000      ?             ?      
1 1 1 43 6  20 o -0.3159000     1.191000      ?             ?      
1 1 1 43 6  21 o -0.1562000     1.161000      ?             ?      
1 1 1 43 6  22 o 0.1135000E-01  1.066000      ?             ?      
1 1 1 43 6  23 o 1.194000       1.100000      ?             ?      
1 1 1 43 6  24 o 0.1306000      1.039000      ?             ?      
1 1 1 43 6  25 o -0.9606000     1.029000      ?             ?      
1 1 1 43 6  26 o 1.881000       0.9934000     ?             ?      
1 1 1 43 6  27 o 0.4515000      0.9265000     ?             ?      
1 1 1 43 6  28 o 0.6043000      0.9029000     ?             ?      
1 1 1 43 6  29 o -1.001000      0.9003000     ?             ?      
1 1 1 43 6  30 o 0.1729000      0.9040000     ?             ?      
1 1 1 43 6  31 o 0.5554000      0.8976000     ?             ?      
1 1 1 43 6  32 o -1.084000      0.8760000     ?             ?      
1 1 1 43 6  33 f -0.4816000     0.8771000     ?             ?      
1 1 1 43 6  34 o -0.2075000E-01 0.9336000     ?             ?      
1 1 1 43 6  35 o -0.6147000     0.9429000     ?             ?      
1 1 1 43 6  36 o 1.159000       1.090000      ?             ?      
1 1 1 43 6  37 o 0.5744000      1.086000      ?             ?      
1 1 1 43 6  38 o -0.9616000     0.9153000     ?             ?      
1 1 1 43 6  39 o 2.472000       0.9369000     ?             ?      
1 1 1 43 6  40 o 0.7812000      0.9262000     ?             ?      
1 1 1 43 6  41 o 1.231000       0.9277000     ?             ?      
1 1 1 43 6  42 o -1.168000      1.079000      ?             ?      
1 1 1 43 6  43 o -1.647000      1.081000      ?             ?      
1 1 1 43 6  44 o -1.641000      1.229000      ?             ?      
1 1 1 43 6  45 o 0.7307000      1.108000      ?             ?      
1 1 1 43 6  46 o 2.414000       1.311000      ?             ?      
1 1 1 43 6  47 o -0.2528000E-01 1.295000      ?             ?      
1 1 1 43 6  48 o -1.018000      1.240000      ?             ?      
1 1 1 43 7  0  o -0.7315000     1.315000      64.18957      90.0   
1 1 1 43 7  1  o -0.2927000     0.9361000     11.04183      58.3   
1 1 1 43 7  2  o -0.5370000E-01 0.9480000     142.2890      96.7   
1 1 1 43 7  3  o 0.4841000      0.9490000     66.64896      -55.3  
1 1 1 43 7  4  o 1.055000       0.9552000     60.53260      35.7   
1 1 1 43 7  5  o 0.9421000      0.9600000     87.64182      52.1   
1 1 1 43 7  6  o 0.5582000E-01  0.9678000     92.78025      146.0  
1 1 1 43 7  7  o 0.2280000      0.9751000     97.56239      -57.3  
1 1 1 43 7  8  o 0.6130000      1.040000      76.04867      -125.8 
1 1 1 43 7  9  o -0.5917000     1.062000      45.61314      8.0    
1 1 1 43 7  10 o -1.320000      1.246000      28.32839      176.5  
1 1 1 43 7  11 o 0.5955000      1.822000      49.57323      175.7  
1 1 1 43 7  12 o 0.6134000      1.911000      70.67779      49.5   
1 1 1 43 7  13 o -0.5497000E-01 1.982000      71.09675      -0.9   
1 1 1 43 7  14 o -1.989000      1.525000      90.23683      151.9  
1 1 1 43 7  15 o -0.2160000     2.256000      90.66946      174.3  
1 1 1 43 7  16 o -1.932000      1.627000      ?             ?      
1 1 1 43 7  17 o 0.8703000      1.562000      ?             ?      
1 1 1 43 7  18 o -0.1062000     1.631000      ?             ?      
1 1 1 43 7  19 o 1.567000       1.137000      ?             ?      
1 1 1 43 7  20 o -1.524000      1.111000      ?             ?      
1 1 1 43 7  21 o 2.625000       1.087000      ?             ?      
1 1 1 43 7  22 o -0.5061000     1.055000      ?             ?      
1 1 1 43 7  23 o -0.2249000     1.064000      ?             ?      
1 1 1 43 7  24 o 0.7418000      1.064000      ?             ?      
1 1 1 43 7  25 o -0.4793000     1.033000      ?             ?      
1 1 1 43 7  26 o -0.8221000     1.001000      ?             ?      
1 1 1 43 7  27 o 1.850000       0.9727000     ?             ?      
1 1 1 43 7  28 o -0.5154000     0.9046000     ?             ?      
1 1 1 43 7  29 o -1.163000      0.8983000     ?             ?      
1 1 1 43 7  30 o 0.2089000      0.8985000     ?             ?      
1 1 1 43 7  31 o 0.1414000E-01  0.8805000     ?             ?      
1 1 1 43 7  32 o 0.1230000      0.9244000     ?             ?      
1 1 1 43 7  33 o 0.8550000      0.9258000     ?             ?      
1 1 1 43 7  34 o 0.4448000      1.054000      ?             ?      
1 1 1 43 7  35 o 0.4696000      1.073000      ?             ?      
1 1 1 43 7  36 o 0.3875000      0.8978000     ?             ?      
1 1 1 43 7  37 o -0.5752000     0.9025000     ?             ?      
1 1 1 43 7  38 o 1.286000       0.9230000     ?             ?      
1 1 1 43 7  39 o -0.5014000     0.9297000     ?             ?      
1 1 1 43 7  40 o -0.4546000     0.9337000     ?             ?      
1 1 1 43 7  41 o -0.2999000     0.9339000     ?             ?      
1 1 1 43 7  42 o -0.6721000     1.066000      ?             ?      
1 1 1 43 7  43 o -0.9217000     1.120000      ?             ?      
1 1 1 43 7  44 o 0.9344000      1.075000      ?             ?      
1 1 1 43 7  45 o 0.1027000      1.105000      ?             ?      
1 1 1 43 7  46 o 1.154000       1.287000      ?             ?      
1 1 1 43 7  47 o 0.6051000      1.292000      ?             ?      
1 1 1 43 7  48 o 1.173000       2.064000      ?             ?      
1 1 1 43 8  0  o -1.036000      1.327000      13.72878      -90.0  
1 1 1 43 8  1  o 0.8698000      0.9451000     109.3768      124.5  
1 1 1 43 8  2  o -1.539000      0.9451000     24.42615      114.3  
1 1 1 43 8  3  o 2.598000       0.9628000     250.8047      -177.4 
1 1 1 43 8  4  o 0.1111000      0.9665000     88.41961      -58.8  
1 1 1 43 8  5  o 1.924000       0.9738000     239.8385      18.9   
1 1 1 43 8  6  o 1.986000       1.010000      94.69566      -8.3   
1 1 1 43 8  7  o 0.9102000      1.013000      164.9919      176.1  
1 1 1 43 8  8  o 0.1643000      1.041000      34.48447      -114.9 
1 1 1 43 8  9  o 1.437000       1.074000      40.13422      -62.2  
1 1 1 43 8  10 o -2.109000      1.490000      87.89698      65.3   
1 1 1 43 8  11 o 3.738000       1.872000      42.70465      -114.2 
1 1 1 43 8  12 o 1.031000       1.912000      36.40806      -94.7  
1 1 1 43 8  13 o -0.1599000     2.078000      67.46329      154.0  
1 1 1 43 8  14 o 1.218000       2.362000      75.10281      -22.3  
1 1 1 43 8  15 o -3.081000      2.273000      ?             ?      
1 1 1 43 8  16 o -1.342000      1.710000      ?             ?      
1 1 1 43 8  17 o 1.389000       1.489000      ?             ?      
1 1 1 43 8  18 o -0.9676000     1.318000      ?             ?      
1 1 1 43 8  19 o -0.4471000     1.130000      ?             ?      
1 1 1 43 8  20 o -1.148000      1.121000      ?             ?      
1 1 1 43 8  21 o -0.5266000     1.105000      ?             ?      
1 1 1 43 8  22 o 0.7177000      1.024000      ?             ?      
1 1 1 43 8  23 o -0.3424000     1.039000      ?             ?      
1 1 1 43 8  24 o 0.7942000      1.100000      ?             ?      
1 1 1 43 8  25 o -1.084000      1.024000      ?             ?      
1 1 1 43 8  26 o 0.4132000      1.007000      ?             ?      
1 1 1 43 8  27 o 1.271000       0.9994000     ?             ?      
1 1 1 43 8  28 o -0.6157000     0.9686000     ?             ?      
1 1 1 43 8  29 o -1.289000      0.9350000     ?             ?      
1 1 1 43 8  30 o -1.521000      0.9228000     ?             ?      
1 1 1 43 8  31 o 0.9186000      0.9096000     ?             ?      
1 1 1 43 8  32 o -0.5226000     1.038000      ?             ?      
1 1 1 43 8  33 o -0.1207000     0.8946000     ?             ?      
1 1 1 43 8  34 o 0.2853000      0.8941000     ?             ?      
1 1 1 43 8  35 o -0.1849000     0.8980000     ?             ?      
1 1 1 43 8  36 o -0.9170000     0.8991000     ?             ?      
1 1 1 43 8  37 o 0.2287000      0.9076000     ?             ?      
1 1 1 43 8  38 o 0.6971000      0.9100000     ?             ?      
1 1 1 43 8  39 o 0.3867000      0.9228000     ?             ?      
1 1 1 43 8  40 o -0.4189000     0.9259000     ?             ?      
1 1 1 43 8  41 o 0.5696000      0.9411000     ?             ?      
1 1 1 43 8  42 o -0.1437000     1.080000      ?             ?      
1 1 1 43 8  43 o 0.5025000E-01  1.143000      ?             ?      
1 1 1 43 8  44 o -1.302000      1.069000      ?             ?      
1 1 1 43 8  45 o 0.2367000      1.081000      ?             ?      
1 1 1 43 8  46 o 0.6513000      1.075000      ?             ?      
1 1 1 43 8  47 f -0.6193000     1.265000      ?             ?      
1 1 1 43 8  48 o -1.401000      1.299000      ?             ?      
1 1 1 43 9  0  o -0.6404000     1.354000      260.4543      90.0   
1 1 1 43 9  1  o 1.148000       0.9536000     145.8945      113.1  
1 1 1 43 9  2  o -0.6330000     0.9499000     89.63283      -29.5  
1 1 1 43 9  3  o 1.034000       0.9648000     142.3468      -122.9 
1 1 1 43 9  4  o 1.018000       0.9638000     87.22490      52.7   
1 1 1 43 9  5  o 1.898000       1.018000      109.2849      52.2   
1 1 1 43 9  6  o -0.4511000E-02 1.001000      89.25853      -173.1 
1 1 1 43 9  7  o 0.4186000      1.013000      88.86453      -68.1  
1 1 1 43 9  8  o -0.4003000     1.108000      161.0607      -77.3  
1 1 1 43 9  9  o 0.9110000      1.234000      52.99591      56.6   
1 1 1 43 9  10 o -0.6079000     1.509000      18.64734      160.8  
1 1 1 43 9  11 o -2.596000      1.871000      131.8695      61.1   
1 1 1 43 9  12 o 0.2692000      2.108000      75.01012      11.8   
1 1 1 43 9  13 o 0.2996000      1.944000      53.10622      128.4  
1 1 1 43 9  14 o 1.792000       2.314000      ?             ?      
1 1 1 43 9  15 o 1.836000       2.210000      ?             ?      
1 1 1 43 9  16 o 1.817000       1.427000      ?             ?      
1 1 1 43 9  17 o -1.127000      1.390000      ?             ?      
1 1 1 43 9  18 o -0.4506000     1.181000      ?             ?      
1 1 1 43 9  19 o -0.8703000     1.113000      ?             ?      
1 1 1 43 9  20 o 0.4436000      1.118000      ?             ?      
1 1 1 43 9  21 o 0.7079000      1.190000      ?             ?      
1 1 1 43 9  22 o 0.7428000      1.026000      ?             ?      
1 1 1 43 9  23 o 0.6715000      1.039000      ?             ?      
1 1 1 43 9  24 o 2.693000       1.039000      ?             ?      
1 1 1 43 9  25 o 0.2036000      1.051000      ?             ?      
1 1 1 43 9  26 o -0.7546000     1.007000      ?             ?      
1 1 1 43 9  27 o 0.3695000      1.048000      ?             ?      
1 1 1 43 9  28 o 1.335000       1.024000      ?             ?      
1 1 1 43 9  29 o 0.7627000      1.056000      ?             ?      
1 1 1 43 9  30 o 0.5701000      1.038000      ?             ?      
1 1 1 43 9  31 o 0.3339000      0.8909000     ?             ?      
1 1 1 43 9  32 o -0.3758000     0.8850000     ?             ?      
1 1 1 43 9  33 o -1.065000      0.8931000     ?             ?      
1 1 1 43 9  34 o -0.8112000E-01 0.8881000     ?             ?      
1 1 1 43 9  35 o 0.1039000      0.8953000     ?             ?      
1 1 1 43 9  36 o -0.5299000     0.9047000     ?             ?      
1 1 1 43 9  37 o 0.1536000      0.9009000     ?             ?      
1 1 1 43 9  38 o 0.2312000      0.8989000     ?             ?      
1 1 1 43 9  39 o 2.101000       0.9378000     ?             ?      
1 1 1 43 9  40 o 0.4039000      0.9387000     ?             ?      
1 1 1 43 9  41 o -0.4170000     1.079000      ?             ?      
1 1 1 43 9  42 o -0.8992000     1.135000      ?             ?      
1 1 1 43 9  43 o -1.029000      1.062000      ?             ?      
1 1 1 43 9  44 o 0.7444000      1.109000      ?             ?      
1 1 1 43 9  45 o -1.205000      1.033000      ?             ?      
1 1 1 43 9  46 o 0.6387000      1.070000      ?             ?      
1 1 1 43 9  47 o -2.723000      1.257000      ?             ?      
1 1 1 43 9  48 o -0.8693000     2.195000      ?             ?      
1 1 1 43 10 0  o 0.4656000      1.350000      65.50996      90.0   
1 1 1 43 10 1  o 2.300000       0.9679000     218.3490      172.8  
1 1 1 43 10 2  o 1.699000       0.9735000     128.5783      -58.0  
1 1 1 43 10 3  o 1.267000       0.9744000     136.3917      -177.6 
1 1 1 43 10 4  o 0.4179000      1.002000      149.0142      -41.2  
1 1 1 43 10 5  o 0.4944000      1.017000      111.9691      23.3   
1 1 1 43 10 6  o 0.8129000      1.053000      83.90925      114.9  
1 1 1 43 10 7  o -0.6137000     1.023000      73.88680      138.0  
1 1 1 43 10 8  o 1.210000       1.191000      87.77767      -91.0  
1 1 1 43 10 9  o 1.596000       1.264000      67.65399      90.7   
1 1 1 43 10 10 o -1.354000      1.595000      31.53172      96.5   
1 1 1 43 10 11 o -0.5447000     1.633000      80.43924      -101.5 
1 1 1 43 10 12 o 2.629000       1.663000      82.18114      153.8  
1 1 1 43 10 13 o 2.118000       2.269000      ?             ?      
1 1 1 43 10 14 o 1.460000       2.291000      ?             ?      
1 1 1 43 10 15 o 0.1589000      1.615000      ?             ?      
1 1 1 43 10 16 o 0.9876000      1.410000      ?             ?      
1 1 1 43 10 17 o -0.8413000     1.312000      ?             ?      
1 1 1 43 10 18 o 1.472000       1.162000      ?             ?      
1 1 1 43 10 19 o -0.8901000     1.101000      ?             ?      
1 1 1 43 10 20 o 0.2501000      1.113000      ?             ?      
1 1 1 43 10 21 o 0.5238000      1.116000      ?             ?      
1 1 1 43 10 22 o -0.6395000     1.086000      ?             ?      
1 1 1 43 10 23 o 0.4837000      0.9896000     ?             ?      
1 1 1 43 10 24 o 1.081000       1.118000      ?             ?      
1 1 1 43 10 25 o 0.8882000      1.161000      ?             ?      
1 1 1 43 10 26 o -0.2656000E-02 1.022000      ?             ?      
1 1 1 43 10 27 o 0.1013000      1.239000      ?             ?      
1 1 1 43 10 28 o 0.5348000      1.022000      ?             ?      
1 1 1 43 10 29 o -0.8655000     0.9559000     ?             ?      
1 1 1 43 10 30 o 0.1159000      0.8979000     ?             ?      
1 1 1 43 10 31 o 0.5157000      0.8905000     ?             ?      
1 1 1 43 10 32 o -1.185000      0.8900000     ?             ?      
1 1 1 43 10 33 o 0.8352000      0.8943000     ?             ?      
1 1 1 43 10 34 f 0.3256000      0.8961000     ?             ?      
1 1 1 43 10 35 o 0.8827000      0.8997000     ?             ?      
1 1 1 43 10 36 o -0.4493000     0.8990000     ?             ?      
1 1 1 43 10 37 o -0.4027000E-01 0.9081000     ?             ?      
1 1 1 43 10 38 o -1.307000      0.9056000     ?             ?      
1 1 1 43 10 39 o -0.3429000     0.9264000     ?             ?      
1 1 1 43 10 40 o 2.192000       0.9499000     ?             ?      
1 1 1 43 10 41 o 0.3639000E-01  1.082000      ?             ?      
1 1 1 43 10 42 o 1.692000       1.149000      ?             ?      
1 1 1 43 10 43 o 1.802000       1.083000      ?             ?      
1 1 1 43 10 44 o 1.582000       1.466000      ?             ?      
1 1 1 43 10 45 o 0.1989000      1.037000      ?             ?      
1 1 1 43 10 46 o 1.300000       1.008000      ?             ?      
1 1 1 43 10 47 o 1.461000       1.289000      ?             ?      
1 1 1 43 11 0  o 0.4241000      1.342000      25.32726      90.0   
1 1 1 43 11 1  f 1.033000       0.9620000     92.04043      77.1   
1 1 1 43 11 2  o 3.581000       0.9959000     254.5356      -56.3  
1 1 1 43 11 3  o 0.3371000      1.039000      72.24491      41.3   
1 1 1 43 11 4  o -0.9812000     1.041000      97.14372      50.4   
1 1 1 43 11 5  o 0.7630000      0.9955000     78.37408      150.5  
1 1 1 43 11 6  o 1.824000       1.011000      68.10661      115.2  
1 1 1 43 11 7  o 1.260000       1.235000      152.3870      -82.5  
1 1 1 43 11 8  o 0.8105000      1.288000      43.63707      -117.1 
1 1 1 43 11 9  o -0.8767000     1.547000      118.5333      20.8   
1 1 1 43 11 10 o 1.350000       1.587000      109.1714      -147.3 
1 1 1 43 11 11 o 0.7318000      1.423000      64.42845      62.5   
1 1 1 43 11 12 o -1.175000      1.618000      ?             ?      
1 1 1 43 11 13 o 3.885000       2.296000      ?             ?      
1 1 1 43 11 14 o -1.216000      1.551000      ?             ?      
1 1 1 43 11 15 o -0.9666000     1.557000      ?             ?      
1 1 1 43 11 16 o 0.3747000      1.338000      ?             ?      
1 1 1 43 11 17 o 0.9022000      1.367000      ?             ?      
1 1 1 43 11 18 o 1.818000       1.160000      ?             ?      
1 1 1 43 11 19 o 0.5945000      1.107000      ?             ?      
1 1 1 43 11 20 o 1.388000       1.159000      ?             ?      
1 1 1 43 11 21 o 2.881000       1.163000      ?             ?      
1 1 1 43 11 22 o 1.959000       1.092000      ?             ?      
1 1 1 43 11 23 o 0.5394000      1.077000      ?             ?      
1 1 1 43 11 24 o 0.3136000      1.074000      ?             ?      
1 1 1 43 11 25 o -0.6641000     1.111000      ?             ?      
1 1 1 43 11 26 o -1.191000      1.198000      ?             ?      
1 1 1 43 11 27 o 0.6480000      1.027000      ?             ?      
1 1 1 43 11 28 o -0.6716000     1.010000      ?             ?      
1 1 1 43 11 29 o -0.2159000     0.9691000     ?             ?      
1 1 1 43 11 30 o 1.315000       0.9051000     ?             ?      
1 1 1 43 11 31 o -0.8149000     0.8886000     ?             ?      
1 1 1 43 11 32 o -0.1648000     0.8850000     ?             ?      
1 1 1 43 11 33 o 0.6814000E-01  0.8878000     ?             ?      
1 1 1 43 11 34 o 1.520000       0.9028000     ?             ?      
1 1 1 43 11 35 o 0.5728000      0.9081000     ?             ?      
1 1 1 43 11 36 o -0.4545000     0.9001000     ?             ?      
1 1 1 43 11 37 o 0.4012000      0.9045000     ?             ?      
1 1 1 43 11 38 o 0.6792000E-01  0.9169000     ?             ?      
1 1 1 43 11 39 o -0.2365000     0.9314000     ?             ?      
1 1 1 43 11 40 o 1.942000       0.9792000     ?             ?      
1 1 1 43 11 41 o 0.5666000      1.144000      ?             ?      
1 1 1 43 11 42 o -0.8210000     1.185000      ?             ?      
1 1 1 43 11 43 o 1.733000       1.087000      ?             ?      
1 1 1 43 11 44 o -0.7438000     1.074000      ?             ?      
1 1 1 43 11 45 f 1.153000       1.353000      ?             ?      
1 1 1 43 11 46 o -1.160000      0.9839000     ?             ?      
1 1 1 43 11 47 o 1.505000       1.070000      ?             ?      
1 1 1 43 12 0  o 1.080000       1.363000      110.1493      90.0   
1 1 1 43 12 1  o 1.541000       1.039000      125.1086      105.7  
1 1 1 43 12 2  o 1.606000       1.001000      99.72376      -142.5 
1 1 1 43 12 3  o 1.482000       0.9900000     84.45667      -5.7   
1 1 1 43 12 4  o 1.044000       1.066000      62.50783      -1.5   
1 1 1 43 12 5  o 1.569000       1.148000      81.96096      156.6  
1 1 1 43 12 6  o 0.7261000      1.028000      107.2211      12.4   
1 1 1 43 12 7  o 0.6640000      1.138000      47.35116      111.2  
1 1 1 43 12 8  o -0.7730000     1.156000      40.97335      -49.7  
1 1 1 43 12 9  o 0.4440000      1.490000      44.59979      28.8   
1 1 1 43 12 10 o 0.8257000      1.384000      64.16303      -178.1 
1 1 1 43 12 11 o 0.4589000E-02  1.392000      ?             ?      
1 1 1 43 12 12 o 0.5067000      1.604000      ?             ?      
1 1 1 43 12 13 o -0.6674000     1.548000      ?             ?      
1 1 1 43 12 14 o -0.2006000     1.531000      ?             ?      
1 1 1 43 12 15 o 1.086000       1.548000      ?             ?      
1 1 1 43 12 16 o -2.596000      1.316000      ?             ?      
1 1 1 43 12 17 o -1.505000      1.168000      ?             ?      
1 1 1 43 12 18 o -0.2817000     1.152000      ?             ?      
1 1 1 43 12 19 o 0.5535000      1.139000      ?             ?      
1 1 1 43 12 20 o 3.550000       1.120000      ?             ?      
1 1 1 43 12 21 o -0.2898000E-02 1.081000      ?             ?      
1 1 1 43 12 22 o -0.1368000     1.211000      ?             ?      
1 1 1 43 12 23 f 0.3324000      1.227000      ?             ?      
1 1 1 43 12 24 o -0.2720000     0.9872000     ?             ?      
1 1 1 43 12 25 o 0.1824000E-01  1.003000      ?             ?      
1 1 1 43 12 26 o 0.6509000      1.078000      ?             ?      
1 1 1 43 12 27 o -0.1384000     1.037000      ?             ?      
1 1 1 43 12 28 o -0.6767000     1.006000      ?             ?      
1 1 1 43 12 29 o -1.276000      1.003000      ?             ?      
1 1 1 43 12 30 f 0.7576000      0.9728000     ?             ?      
1 1 1 43 12 31 o 1.934000       0.9097000     ?             ?      
1 1 1 43 12 32 o -0.7547000     0.8974000     ?             ?      
1 1 1 43 12 33 o 0.4906000      0.8931000     ?             ?      
1 1 1 43 12 34 o 1.315000       0.9078000     ?             ?      
1 1 1 43 12 35 o 0.4245000      0.8965000     ?             ?      
1 1 1 43 12 36 o 0.4715000      0.9044000     ?             ?      
1 1 1 43 12 37 o -0.5443000     0.9089000     ?             ?      
1 1 1 43 12 38 o 0.2337000      0.9210000     ?             ?      
1 1 1 43 12 39 o -1.054000      0.9283000     ?             ?      
1 1 1 43 12 40 o -0.9951000     1.082000      ?             ?      
1 1 1 43 12 41 o -0.5998000     1.118000      ?             ?      
1 1 1 43 12 42 o -0.7437000     1.059000      ?             ?      
1 1 1 43 12 43 o 1.019000       1.069000      ?             ?      
1 1 1 43 12 44 o -0.3552000     1.044000      ?             ?      
1 1 1 43 12 45 o 1.750000       0.9901000     ?             ?      
1 1 1 43 12 46 o -0.1533000     0.9774000     ?             ?      
1 1 1 43 12 47 o -0.3938000     1.409000      ?             ?      
1 1 1 43 13 0  o 2.900000       1.470000      113.9112      -90.0  
1 1 1 43 13 1  o 1.299000       1.079000      102.5797      -140.5 
1 1 1 43 13 2  o 1.582000       1.217000      99.47469      -86.1  
1 1 1 43 13 3  o 0.8904000      1.060000      96.21617      15.5   
1 1 1 43 13 4  o 0.4779000      1.038000      78.58701      111.1  
1 1 1 43 13 5  o 0.7052000      1.003000      81.02981      118.2  
1 1 1 43 13 6  o 2.132000       1.147000      51.13462      57.2   
1 1 1 43 13 7  o 1.139000       1.172000      21.36395      157.6  
1 1 1 43 13 8  o 0.4818000      1.203000      43.42747      -132.3 
1 1 1 43 13 9  o -0.4582000     1.522000      ?             ?      
1 1 1 43 13 10 o 0.1132000      1.370000      ?             ?      
1 1 1 43 13 11 o 0.9495000      1.383000      ?             ?      
1 1 1 43 13 12 o 0.7538000      1.393000      ?             ?      
1 1 1 43 13 13 o -0.6874000     1.515000      ?             ?      
1 1 1 43 13 14 f 1.212000       1.522000      ?             ?      
1 1 1 43 13 15 o 0.7371000      1.545000      ?             ?      
1 1 1 43 13 16 o -0.4787000     1.314000      ?             ?      
1 1 1 43 13 17 o -1.878000      1.176000      ?             ?      
1 1 1 43 13 18 o -1.112000      1.157000      ?             ?      
1 1 1 43 13 19 o -1.222000      1.267000      ?             ?      
1 1 1 43 13 20 o -0.5416000E-01 1.256000      ?             ?      
1 1 1 43 13 21 o 0.5894000      1.110000      ?             ?      
1 1 1 43 13 22 o 1.188000       1.061000      ?             ?      
1 1 1 43 13 23 o 0.6643000      1.047000      ?             ?      
1 1 1 43 13 24 o -0.6695000     1.060000      ?             ?      
1 1 1 43 13 25 o 0.1223000      0.9676000     ?             ?      
1 1 1 43 13 26 o -0.4149000     0.9922000     ?             ?      
1 1 1 43 13 27 o 0.3431000      1.040000      ?             ?      
1 1 1 43 13 28 o 0.6039000      1.022000      ?             ?      
1 1 1 43 13 29 o 0.3854000      1.015000      ?             ?      
1 1 1 43 13 30 o -0.4088000     1.014000      ?             ?      
1 1 1 43 13 31 o 0.5290000      0.9229000     ?             ?      
1 1 1 43 13 32 o -0.5232000     0.9058000     ?             ?      
1 1 1 43 13 33 o 0.1110000      0.9030000     ?             ?      
1 1 1 43 13 34 o -0.1771000     0.9103000     ?             ?      
1 1 1 43 13 35 o 0.4508000      0.9066000     ?             ?      
1 1 1 43 13 36 o -0.1912000     0.9075000     ?             ?      
1 1 1 43 13 37 o -0.5372000     0.9142000     ?             ?      
1 1 1 43 13 38 o -0.9004000     0.9153000     ?             ?      
1 1 1 43 13 39 o 1.135000       0.9421000     ?             ?      
1 1 1 43 13 40 o 0.7887000      1.116000      ?             ?      
1 1 1 43 13 41 o -0.1376000     1.121000      ?             ?      
1 1 1 43 13 42 o -0.8768000     1.045000      ?             ?      
1 1 1 43 13 43 o -1.110000      1.062000      ?             ?      
1 1 1 43 13 44 o -0.6143000     0.9879000     ?             ?      
1 1 1 43 13 45 o 0.4704000      1.004000      ?             ?      
1 1 1 43 13 46 o 0.1526000      1.052000      ?             ?      
1 1 1 43 14 0  o -0.3322000     2.084000      57.98437      90.0   
1 1 1 43 14 1  o 3.408000       1.220000      215.9569      38.2   
1 1 1 43 14 2  o -0.7524000     1.042000      83.47403      -80.8  
1 1 1 43 14 3  o -0.2597000     1.027000      70.34880      39.7   
1 1 1 43 14 4  o 0.9591000      1.071000      38.71129      142.1  
1 1 1 43 14 5  o 1.169000       1.188000      49.62584      -176.7 
1 1 1 43 14 6  o -0.4367000E-01 1.145000      42.95812      36.1   
1 1 1 43 14 7  o 1.102000       1.181000      ?             ?      
1 1 1 43 14 8  o 1.059000       1.510000      ?             ?      
1 1 1 43 14 9  o -0.9025000     1.349000      ?             ?      
1 1 1 43 14 10 o 0.5963000      1.345000      ?             ?      
1 1 1 43 14 11 o 1.259000       1.362000      ?             ?      
1 1 1 43 14 12 o 0.8405000      1.370000      ?             ?      
1 1 1 43 14 13 o -0.8525000     1.317000      ?             ?      
1 1 1 43 14 14 o 0.2375000      1.523000      ?             ?      
1 1 1 43 14 15 o -0.5876000     1.344000      ?             ?      
1 1 1 43 14 16 o -1.349000      1.324000      ?             ?      
1 1 1 43 14 17 o 0.9361000      1.299000      ?             ?      
1 1 1 43 14 18 o 0.4077000      1.298000      ?             ?      
1 1 1 43 14 19 o -0.7057000     1.126000      ?             ?      
1 1 1 43 14 20 o 1.316000       1.088000      ?             ?      
1 1 1 43 14 21 o -0.7790000     1.078000      ?             ?      
1 1 1 43 14 22 o 0.3384000      1.044000      ?             ?      
1 1 1 43 14 23 o 0.2888000      1.047000      ?             ?      
1 1 1 43 14 24 o -0.1919000     1.031000      ?             ?      
1 1 1 43 14 25 o -1.411000      1.067000      ?             ?      
1 1 1 43 14 26 o 0.9611000      0.9775000     ?             ?      
1 1 1 43 14 27 o -1.365000      0.9770000     ?             ?      
1 1 1 43 14 28 o 0.5671000      1.038000      ?             ?      
1 1 1 43 14 29 o 0.3327000      1.029000      ?             ?      
1 1 1 43 14 30 o -0.7468000     0.9964000     ?             ?      
1 1 1 43 14 31 o 0.1311000      0.9940000     ?             ?      
1 1 1 43 14 32 o -0.5043000     0.9151000     ?             ?      
1 1 1 43 14 33 o -0.1364000     0.9169000     ?             ?      
1 1 1 43 14 34 o 0.7658000      0.9095000     ?             ?      
1 1 1 43 14 35 o 0.6298000E-01  0.9008000     ?             ?      
1 1 1 43 14 36 o -0.4346000     0.9018000     ?             ?      
1 1 1 43 14 37 o 1.218000       0.9147000     ?             ?      
1 1 1 43 14 38 o 0.4877000      0.9214000     ?             ?      
1 1 1 43 14 39 o 0.6621000      1.074000      ?             ?      
1 1 1 43 14 40 o -0.4276000     1.116000      ?             ?      
1 1 1 43 14 41 o -1.196000      1.201000      ?             ?      
1 1 1 43 14 42 o -0.3750000     1.079000      ?             ?      
1 1 1 43 14 43 o -0.4123000     1.036000      ?             ?      
1 1 1 43 14 44 o -2.771000      1.418000      ?             ?      
1 1 1 43 14 45 o -0.3697000     1.001000      ?             ?      
1 1 1 43 14 46 o -0.1966000E-01 1.258000      ?             ?      
1 1 1 43 15 0  o -2.473000      1.447000      ?             ?      
1 1 1 43 15 1  o -0.5561000     1.036000      ?             ?      
1 1 1 43 15 2  o -0.8844000     1.147000      ?             ?      
1 1 1 43 15 3  o 0.2383000      1.362000      ?             ?      
1 1 1 43 15 4  o 0.3008000      1.317000      ?             ?      
1 1 1 43 15 5  o 0.1373000      1.145000      ?             ?      
1 1 1 43 15 6  o -0.9346000     1.177000      ?             ?      
1 1 1 43 15 7  o -0.5515000     1.172000      ?             ?      
1 1 1 43 15 8  o -0.5796000     1.322000      ?             ?      
1 1 1 43 15 9  o 0.8025000      1.331000      ?             ?      
1 1 1 43 15 10 o -1.596000      1.329000      ?             ?      
1 1 1 43 15 11 o 0.4816000      1.211000      ?             ?      
1 1 1 43 15 12 o 1.030000       1.488000      ?             ?      
1 1 1 43 15 13 o 1.159000       1.328000      ?             ?      
1 1 1 43 15 14 o -1.040000      1.455000      ?             ?      
1 1 1 43 15 15 o -0.2084000     1.525000      ?             ?      
1 1 1 43 15 16 o 0.3415000E-01  1.182000      ?             ?      
1 1 1 43 15 17 o 1.232000       1.158000      ?             ?      
1 1 1 43 15 18 o 0.9549000E-01  1.166000      ?             ?      
1 1 1 43 15 19 o -0.6541000E-01 1.102000      ?             ?      
1 1 1 43 15 20 o 0.5592000      1.088000      ?             ?      
1 1 1 43 15 21 o 0.2733000      1.075000      ?             ?      
1 1 1 43 15 22 f 0.3034000      1.070000      ?             ?      
1 1 1 43 15 23 o -0.1643000     1.042000      ?             ?      
1 1 1 43 15 24 o -0.6426000     1.022000      ?             ?      
1 1 1 43 15 25 o 0.6661000      1.030000      ?             ?      
1 1 1 43 15 26 o -0.5827000     1.061000      ?             ?      
1 1 1 43 15 27 o -1.697000      0.9784000     ?             ?      
1 1 1 43 15 28 o -0.5351000     1.062000      ?             ?      
1 1 1 43 15 29 o -0.7341000     1.038000      ?             ?      
1 1 1 43 15 30 o 0.6757000      1.049000      ?             ?      
1 1 1 43 15 31 f -0.6168000     1.015000      ?             ?      
1 1 1 43 15 32 o 0.1047000      0.9161000     ?             ?      
1 1 1 43 15 33 o -0.5731000     0.9075000     ?             ?      
1 1 1 43 15 34 o 0.3302000      0.9056000     ?             ?      
1 1 1 43 15 35 o 0.7258000E-01  0.9092000     ?             ?      
1 1 1 43 15 36 o 1.013000       0.9137000     ?             ?      
1 1 1 43 15 37 o 0.1150000      0.9272000     ?             ?      
1 1 1 43 15 38 o 0.6830000      0.9477000     ?             ?      
1 1 1 43 15 39 o -2.464000      1.121000      ?             ?      
1 1 1 43 15 40 o -0.2864000     1.138000      ?             ?      
1 1 1 43 15 41 o -1.262000      1.074000      ?             ?      
1 1 1 43 15 42 o 0.1758000      1.088000      ?             ?      
1 1 1 43 15 43 o 0.5592000E-01  0.9964000     ?             ?      
1 1 1 43 15 44 o 0.7825000E-02  1.000000      ?             ?      
1 1 1 43 15 45 o 0.6131000E-01  1.430000      ?             ?      
1 1 1 43 15 46 o -2.850000      2.396000      ?             ?      
1 1 1 43 16 0  o -0.9254000     1.445000      ?             ?      
1 1 1 43 16 1  o 0.1737000      1.030000      ?             ?      
1 1 1 43 16 2  o 0.5865000      1.151000      ?             ?      
1 1 1 43 16 3  o -1.742000      1.135000      ?             ?      
1 1 1 43 16 4  o -0.3919000     1.498000      ?             ?      
1 1 1 43 16 5  o 1.324000       1.477000      ?             ?      
1 1 1 43 16 6  o -0.5566000     1.353000      ?             ?      
1 1 1 43 16 7  o -0.5107000     1.141000      ?             ?      
1 1 1 43 16 8  o -1.407000      1.280000      ?             ?      
1 1 1 43 16 9  o -1.563000      1.435000      ?             ?      
1 1 1 43 16 10 o -1.520000      1.330000      ?             ?      
1 1 1 43 16 11 o -0.7009000     1.308000      ?             ?      
1 1 1 43 16 12 o 1.728000       1.246000      ?             ?      
1 1 1 43 16 13 o -1.720000      1.269000      ?             ?      
1 1 1 43 16 14 o 0.2586000      1.298000      ?             ?      
1 1 1 43 16 15 o 0.9623000      1.290000      ?             ?      
1 1 1 43 16 16 o 0.1527000      1.147000      ?             ?      
1 1 1 43 16 17 o 2.026000       1.148000      ?             ?      
1 1 1 43 16 18 o -0.8290000     1.132000      ?             ?      
1 1 1 43 16 19 o -0.6301000E-01 1.098000      ?             ?      
1 1 1 43 16 20 o -0.6102000     1.099000      ?             ?      
1 1 1 43 16 21 o -0.4343000     1.073000      ?             ?      
1 1 1 43 16 22 f -1.389000      1.062000      ?             ?      
1 1 1 43 16 23 o 1.122000       1.042000      ?             ?      
1 1 1 43 16 24 o 0.7505000      1.046000      ?             ?      
1 1 1 43 16 25 o 0.7454000E-02  1.036000      ?             ?      
1 1 1 43 16 26 o 0.5074000      1.033000      ?             ?      
1 1 1 43 16 27 o 1.487000       1.063000      ?             ?      
1 1 1 43 16 28 o -0.8328000     0.9838000     ?             ?      
1 1 1 43 16 29 o -0.2825000     1.035000      ?             ?      
1 1 1 43 16 30 o -0.4291000     1.041000      ?             ?      
1 1 1 43 16 31 o -0.2188000     1.041000      ?             ?      
1 1 1 43 16 32 o -1.602000      0.9936000     ?             ?      
1 1 1 43 16 33 o 0.2730000      0.9232000     ?             ?      
1 1 1 43 16 34 o -0.9541000E-01 0.9194000     ?             ?      
1 1 1 43 16 35 o -0.1718000     0.9165000     ?             ?      
1 1 1 43 16 36 o 0.9901000E-01  0.9274000     ?             ?      
1 1 1 43 16 37 o -0.8317000     0.9291000     ?             ?      
1 1 1 43 16 38 o 1.524000       0.9921000     ?             ?      
1 1 1 43 16 39 o 0.9006000      1.141000      ?             ?      
1 1 1 43 16 40 o 1.449000       1.282000      ?             ?      
1 1 1 43 16 41 o 0.3430000      1.076000      ?             ?      
1 1 1 43 16 42 o -1.013000      1.083000      ?             ?      
1 1 1 43 16 43 o -0.9827000     1.004000      ?             ?      
1 1 1 43 16 44 o -1.206000      1.012000      ?             ?      
1 1 1 43 16 45 o -0.9283000     1.066000      ?             ?      
1 1 1 43 17 0  o 2.178000       1.472000      ?             ?      
1 1 1 43 17 1  o -0.8476000E-01 1.134000      ?             ?      
1 1 1 43 17 2  o -0.3715000     1.143000      ?             ?      
1 1 1 43 17 3  o 0.9386000      1.165000      ?             ?      
1 1 1 43 17 4  o -2.202000      1.130000      ?             ?      
1 1 1 43 17 5  o 0.6106000      1.131000      ?             ?      
1 1 1 43 17 6  o -1.068000      1.251000      ?             ?      
1 1 1 43 17 7  o -0.7099000E-01 1.425000      ?             ?      
1 1 1 43 17 8  o -0.4241000     1.563000      ?             ?      
1 1 1 43 17 9  o -1.021000      1.277000      ?             ?      
1 1 1 43 17 10 o -1.497000      1.169000      ?             ?      
1 1 1 43 17 11 o -1.984000      1.185000      ?             ?      
1 1 1 43 17 12 o -0.9283000     1.189000      ?             ?      
1 1 1 43 17 13 o 0.9396000E-01  1.188000      ?             ?      
1 1 1 43 17 14 o -2.421000      1.293000      ?             ?      
1 1 1 43 17 15 o 0.1251000      1.298000      ?             ?      
1 1 1 43 17 16 o -1.218000      1.131000      ?             ?      
1 1 1 43 17 17 o -1.883000      1.147000      ?             ?      
1 1 1 43 17 18 o -0.2673000     1.126000      ?             ?      
1 1 1 43 17 19 o 1.326000       1.085000      ?             ?      
1 1 1 43 17 20 o 2.049000       1.085000      ?             ?      
1 1 1 43 17 21 o 0.7662000E-01  1.066000      ?             ?      
1 1 1 43 17 22 o -0.2933000     1.031000      ?             ?      
1 1 1 43 17 23 o 0.8328000      1.031000      ?             ?      
1 1 1 43 17 24 o 0.1503000      1.043000      ?             ?      
1 1 1 43 17 25 o 1.497000       1.055000      ?             ?      
1 1 1 43 17 26 o 0.3934000      1.028000      ?             ?      
1 1 1 43 17 27 o -1.156000      1.016000      ?             ?      
1 1 1 43 17 28 o -0.1729000     1.012000      ?             ?      
1 1 1 43 17 29 o -1.207000      1.088000      ?             ?      
1 1 1 43 17 30 o -1.042000      1.049000      ?             ?      
1 1 1 43 17 31 o -0.7480000     1.049000      ?             ?      
1 1 1 43 17 32 o 0.8361000      1.061000      ?             ?      
1 1 1 43 17 33 o 0.1286000      1.016000      ?             ?      
1 1 1 43 17 34 o 0.1997000      0.9311000     ?             ?      
1 1 1 43 17 35 o -1.117000      0.9242000     ?             ?      
1 1 1 43 17 36 o 0.6980000      0.9238000     ?             ?      
1 1 1 43 17 37 o 0.8566000      0.9376000     ?             ?      
1 1 1 43 17 38 o -1.501000      1.131000      ?             ?      
1 1 1 43 17 39 o 1.141000       1.137000      ?             ?      
1 1 1 43 17 40 o -0.3017000     1.083000      ?             ?      
1 1 1 43 17 41 o -0.9035000     1.075000      ?             ?      
1 1 1 43 17 42 o -1.404000      1.449000      ?             ?      
1 1 1 43 17 43 o 0.5055000      1.013000      ?             ?      
1 1 1 43 17 44 o -0.1835000     1.025000      ?             ?      
1 1 1 43 17 45 o 1.591000       1.999000      ?             ?      
1 1 1 43 18 0  o 0.6415000      1.720000      ?             ?      
1 1 1 43 18 1  o -1.252000      1.220000      ?             ?      
1 1 1 43 18 2  o -1.626000      1.146000      ?             ?      
1 1 1 43 18 3  o -0.7642000     1.098000      ?             ?      
1 1 1 43 18 4  o -0.3503000     1.186000      ?             ?      
1 1 1 43 18 5  o -0.7786000     1.244000      ?             ?      
1 1 1 43 18 6  o -0.4661000     1.103000      ?             ?      
1 1 1 43 18 7  o -1.003000      1.274000      ?             ?      
1 1 1 43 18 8  o -0.4670000     1.128000      ?             ?      
1 1 1 43 18 9  o -0.1492000     1.094000      ?             ?      
1 1 1 43 18 10 o 0.6565000      1.111000      ?             ?      
1 1 1 43 18 11 o 1.019000       1.182000      ?             ?      
1 1 1 43 18 12 o -0.6720000     1.148000      ?             ?      
1 1 1 43 18 13 o -0.7864000     1.206000      ?             ?      
1 1 1 43 18 14 o -0.3824000     1.359000      ?             ?      
1 1 1 43 18 15 o 0.3334000      1.235000      ?             ?      
1 1 1 43 18 16 o -1.353000      1.146000      ?             ?      
1 1 1 43 18 17 o -0.8401000E-01 1.114000      ?             ?      
1 1 1 43 18 18 o 1.152000       1.112000      ?             ?      
1 1 1 43 18 19 o -0.4623000E-01 1.079000      ?             ?      
1 1 1 43 18 20 o 0.7564000      1.069000      ?             ?      
1 1 1 43 18 21 o -0.8254000     1.053000      ?             ?      
1 1 1 43 18 22 o 1.333000       1.045000      ?             ?      
1 1 1 43 18 23 o -1.199000      1.013000      ?             ?      
1 1 1 43 18 24 o 0.4987000      1.024000      ?             ?      
1 1 1 43 18 25 o -0.6685000     1.035000      ?             ?      
1 1 1 43 18 26 o -0.7813000     1.025000      ?             ?      
1 1 1 43 18 27 o -0.8216000     1.013000      ?             ?      
1 1 1 43 18 28 o -0.5070000     1.027000      ?             ?      
1 1 1 43 18 29 o -0.7984000     1.093000      ?             ?      
1 1 1 43 18 30 o -0.2817000     1.065000      ?             ?      
1 1 1 43 18 31 o -0.2320000     1.065000      ?             ?      
1 1 1 43 18 32 o -0.9225000     1.061000      ?             ?      
1 1 1 43 18 33 o 1.630000       1.040000      ?             ?      
1 1 1 43 18 34 o 0.6083000      0.9470000     ?             ?      
1 1 1 43 18 35 o -0.6113000     0.9355000     ?             ?      
1 1 1 43 18 36 o -1.321000      0.9277000     ?             ?      
1 1 1 43 18 37 o 1.206000       0.9773000     ?             ?      
1 1 1 43 18 38 o 1.493000       1.121000      ?             ?      
1 1 1 43 18 39 o -0.7031000     1.209000      ?             ?      
1 1 1 43 18 40 o 0.5448000      1.067000      ?             ?      
1 1 1 43 18 41 o -0.7715000     1.038000      ?             ?      
1 1 1 43 18 42 o -0.6615000     1.006000      ?             ?      
1 1 1 43 18 43 o 0.7902000      1.025000      ?             ?      
1 1 1 43 18 44 o -2.455000      1.061000      ?             ?      
1 1 1 43 19 0  o -2.246000      1.703000      ?             ?      
1 1 1 43 19 1  o 0.6364000      1.215000      ?             ?      
1 1 1 43 19 2  o 0.4090000E-01  1.237000      ?             ?      
1 1 1 43 19 3  o 0.8593000      1.175000      ?             ?      
1 1 1 43 19 4  o 1.734000       1.180000      ?             ?      
1 1 1 43 19 5  o -0.2414000     1.253000      ?             ?      
1 1 1 43 19 6  o -1.129000      1.197000      ?             ?      
1 1 1 43 19 7  o -0.4696000     1.093000      ?             ?      
1 1 1 43 19 8  o 1.090000       1.101000      ?             ?      
1 1 1 43 19 9  o -0.5000000     1.085000      ?             ?      
1 1 1 43 19 10 o -2.320000      1.149000      ?             ?      
1 1 1 43 19 11 o -0.2973000     1.125000      ?             ?      
1 1 1 43 19 12 o -0.5799000     1.183000      ?             ?      
1 1 1 43 19 13 o -2.147000      1.182000      ?             ?      
1 1 1 43 19 14 o 0.7470000      1.303000      ?             ?      
1 1 1 43 19 15 o 1.586000       1.303000      ?             ?      
1 1 1 43 19 16 o -1.422000      1.144000      ?             ?      
1 1 1 43 19 17 o -0.3607000     1.204000      ?             ?      
1 1 1 43 19 18 o 0.4601000      1.207000      ?             ?      
1 1 1 43 19 19 o -0.3014000     1.077000      ?             ?      
1 1 1 43 19 20 o -1.202000      1.065000      ?             ?      
1 1 1 43 19 21 o 0.6294000      1.059000      ?             ?      
1 1 1 43 19 22 o -0.1151000     1.027000      ?             ?      
1 1 1 43 19 23 o -1.460000      1.015000      ?             ?      
1 1 1 43 19 24 o -0.2750000     1.022000      ?             ?      
1 1 1 43 19 25 o -0.6602000     1.029000      ?             ?      
1 1 1 43 19 26 o 0.7470000      1.019000      ?             ?      
1 1 1 43 19 27 o -1.231000      1.015000      ?             ?      
1 1 1 43 19 28 o 0.8334000      1.026000      ?             ?      
1 1 1 43 19 29 o 1.608000       1.059000      ?             ?      
1 1 1 43 19 30 o -1.348000      1.104000      ?             ?      
1 1 1 43 19 31 o -1.093000      1.058000      ?             ?      
1 1 1 43 19 32 o 0.8424000      1.064000      ?             ?      
1 1 1 43 19 33 o -0.9075000     1.066000      ?             ?      
1 1 1 43 19 34 o -1.674000      1.031000      ?             ?      
1 1 1 43 19 35 o -0.7899000     0.9418000     ?             ?      
1 1 1 43 19 36 o -0.9424000     0.9418000     ?             ?      
1 1 1 43 19 37 o -0.4765000     1.118000      ?             ?      
1 1 1 43 19 38 o -0.1489000     1.137000      ?             ?      
1 1 1 43 19 39 o -3.970000      1.545000      ?             ?      
1 1 1 43 19 40 o -2.117000      1.062000      ?             ?      
1 1 1 43 19 41 o -0.3726000     1.000000      ?             ?      
1 1 1 43 19 42 o 0.1315000E-01  1.003000      ?             ?      
1 1 1 43 19 43 o 0.8897000      1.023000      ?             ?      
1 1 1 43 19 44 o 2.573000       2.399000      ?             ?      
1 1 1 43 20 0  o -0.6089000     1.734000      ?             ?      
1 1 1 43 20 1  o -0.3579000     1.249000      ?             ?      
1 1 1 43 20 2  o 1.626000       1.223000      ?             ?      
1 1 1 43 20 3  o 0.4192000      1.227000      ?             ?      
1 1 1 43 20 4  o -0.4405000     1.167000      ?             ?      
1 1 1 43 20 5  o -2.068000      1.163000      ?             ?      
1 1 1 43 20 6  o 1.183000       1.212000      ?             ?      
1 1 1 43 20 7  o 1.273000       1.227000      ?             ?      
1 1 1 43 20 8  f 0.9374000      1.236000      ?             ?      
1 1 1 43 20 9  o -0.4358000     1.133000      ?             ?      
1 1 1 43 20 10 o -1.731000      1.218000      ?             ?      
1 1 1 43 20 11 o 0.6916000      1.173000      ?             ?      
1 1 1 43 20 12 o -0.9865000     1.169000      ?             ?      
1 1 1 43 20 13 o -0.7504000     1.177000      ?             ?      
1 1 1 43 20 14 o -1.907000      1.143000      ?             ?      
1 1 1 43 20 15 o -1.270000      1.149000      ?             ?      
1 1 1 43 20 16 o 0.3423000      1.140000      ?             ?      
1 1 1 43 20 17 o -1.372000      1.281000      ?             ?      
1 1 1 43 20 18 o -0.6896000     1.273000      ?             ?      
1 1 1 43 20 19 o -0.5523000     1.073000      ?             ?      
1 1 1 43 20 20 o 0.7501000      1.137000      ?             ?      
1 1 1 43 20 21 o 1.197000       1.143000      ?             ?      
1 1 1 43 20 22 o -1.909000      1.039000      ?             ?      
1 1 1 43 20 23 o 0.4460000      1.038000      ?             ?      
1 1 1 43 20 24 o 0.1966000E-01  1.031000      ?             ?      
1 1 1 43 20 25 o -2.191000      1.024000      ?             ?      
1 1 1 43 20 26 o -0.9760000     1.033000      ?             ?      
1 1 1 43 20 27 o 1.009000       1.032000      ?             ?      
1 1 1 43 20 28 o 0.9166000      1.023000      ?             ?      
1 1 1 43 20 29 o -0.3735000     1.023000      ?             ?      
1 1 1 43 20 30 f -1.444000      1.110000      ?             ?      
1 1 1 43 20 31 o -0.4406000     1.068000      ?             ?      
1 1 1 43 20 32 o 1.815000       1.085000      ?             ?      
1 1 1 43 20 33 o -0.3608000     1.069000      ?             ?      
1 1 1 43 20 34 o 0.2888000      1.087000      ?             ?      
1 1 1 43 20 35 o 0.7570000E-01  0.9519000     ?             ?      
1 1 1 43 20 36 o -0.5377000     0.9898000     ?             ?      
1 1 1 43 20 37 o -0.7423000     1.127000      ?             ?      
1 1 1 43 20 38 o 1.389000       1.207000      ?             ?      
1 1 1 43 20 39 o 0.8727000      1.081000      ?             ?      
1 1 1 43 20 40 o -0.6427000     1.041000      ?             ?      
1 1 1 43 20 41 o -1.279000      1.002000      ?             ?      
1 1 1 43 20 42 o -1.637000      1.004000      ?             ?      
1 1 1 43 20 43 o 0.9145000      1.247000      ?             ?      
1 1 1 43 21 0  o 0.9279000      1.755000      ?             ?      
1 1 1 43 21 1  o -0.3001000     1.157000      ?             ?      
1 1 1 43 21 2  f -1.013000      1.169000      ?             ?      
1 1 1 43 21 3  o -0.5200000     1.159000      ?             ?      
1 1 1 43 21 4  o -1.046000      1.263000      ?             ?      
1 1 1 43 21 5  o 2.361000       1.271000      ?             ?      
1 1 1 43 21 6  o -0.9829000     1.274000      ?             ?      
1 1 1 43 21 7  o 1.868000       1.239000      ?             ?      
1 1 1 43 21 8  o -0.4010000     1.106000      ?             ?      
1 1 1 43 21 9  o -1.415000      1.123000      ?             ?      
1 1 1 43 21 10 o 1.530000       1.156000      ?             ?      
1 1 1 43 21 11 o -1.571000      1.155000      ?             ?      
1 1 1 43 21 12 o 2.041000       1.154000      ?             ?      
1 1 1 43 21 13 o -0.1697000     1.161000      ?             ?      
1 1 1 43 21 14 o 0.3102000      1.080000      ?             ?      
1 1 1 43 21 15 o 0.2111000      1.130000      ?             ?      
1 1 1 43 21 16 o 1.133000       1.134000      ?             ?      
1 1 1 43 21 17 o -0.5460000     1.114000      ?             ?      
1 1 1 43 21 18 o 0.4967000      1.078000      ?             ?      
1 1 1 43 21 19 o 0.1083000      1.101000      ?             ?      
1 1 1 43 21 20 o -0.9108000     1.235000      ?             ?      
1 1 1 43 21 21 o -0.2673000     1.233000      ?             ?      
1 1 1 43 21 22 o -1.000000      1.067000      ?             ?      
1 1 1 43 21 23 o 0.5133000      1.108000      ?             ?      
1 1 1 43 21 24 o 0.3510000      1.096000      ?             ?      
1 1 1 43 21 25 o -0.1048000     1.051000      ?             ?      
1 1 1 43 21 26 o -0.1866000     1.041000      ?             ?      
1 1 1 43 21 27 o 0.2786000      1.043000      ?             ?      
1 1 1 43 21 28 o -0.7816000     1.038000      ?             ?      
1 1 1 43 21 29 o 0.1526000      1.043000      ?             ?      
1 1 1 43 21 30 o 0.5563000      1.041000      ?             ?      
1 1 1 43 21 31 o 0.5166000      1.143000      ?             ?      
1 1 1 43 21 32 o -0.5718000     1.093000      ?             ?      
1 1 1 43 21 33 o 0.2756000      1.094000      ?             ?      
1 1 1 43 21 34 o -1.343000      1.079000      ?             ?      
1 1 1 43 21 35 o 0.7890000      1.143000      ?             ?      
1 1 1 43 21 36 o -0.6371000     1.134000      ?             ?      
1 1 1 43 21 37 o -1.991000      1.219000      ?             ?      
1 1 1 43 21 38 o -0.4857000     1.248000      ?             ?      
1 1 1 43 21 39 o 1.125000       1.105000      ?             ?      
1 1 1 43 21 40 o -0.4739000E-01 1.002000      ?             ?      
1 1 1 43 21 41 o 0.6551000      1.018000      ?             ?      
1 1 1 43 21 42 o 1.257000       1.018000      ?             ?      
1 1 1 43 21 43 o -3.287000      2.766000      ?             ?      
1 1 1 43 22 0  o 0.2085000      1.540000      ?             ?      
1 1 1 43 22 1  o 0.6787000      1.103000      ?             ?      
1 1 1 43 22 2  o 0.3716000      1.139000      ?             ?      
1 1 1 43 22 3  o -1.356000      1.153000      ?             ?      
1 1 1 43 22 4  o -1.450000      1.180000      ?             ?      
1 1 1 43 22 5  o 0.7378000      1.294000      ?             ?      
1 1 1 43 22 6  o 1.562000       1.261000      ?             ?      
1 1 1 43 22 7  o 0.2844000      1.229000      ?             ?      
1 1 1 43 22 8  o 0.7393000      1.185000      ?             ?      
1 1 1 43 22 9  o 0.3090000      1.301000      ?             ?      
1 1 1 43 22 10 o 0.2964000      1.140000      ?             ?      
1 1 1 43 22 11 o 0.5544000      1.151000      ?             ?      
1 1 1 43 22 12 o -0.7494000     1.148000      ?             ?      
1 1 1 43 22 13 o 0.7618000E-02  1.151000      ?             ?      
1 1 1 43 22 14 o -0.8598000     1.041000      ?             ?      
1 1 1 43 22 15 o -0.4850000     1.115000      ?             ?      
1 1 1 43 22 16 o -1.350000      1.101000      ?             ?      
1 1 1 43 22 17 o -1.109000      1.098000      ?             ?      
1 1 1 43 22 18 o 0.1124000      1.069000      ?             ?      
1 1 1 43 22 19 o -1.410000      1.079000      ?             ?      
1 1 1 43 22 20 f -0.8771000     1.884000      ?             ?      
1 1 1 43 22 21 o -0.1486000     1.094000      ?             ?      
1 1 1 43 22 22 o -0.1986000     1.097000      ?             ?      
1 1 1 43 22 23 o 1.561000       1.252000      ?             ?      
1 1 1 43 22 24 o 0.1399000      1.234000      ?             ?      
1 1 1 43 22 25 o -1.583000      1.066000      ?             ?      
1 1 1 43 22 26 o -0.1164000E-01 1.119000      ?             ?      
1 1 1 43 22 27 o 0.5615000      1.123000      ?             ?      
1 1 1 43 22 28 o -2.102000      1.060000      ?             ?      
1 1 1 43 22 29 o 0.7684000      1.054000      ?             ?      
1 1 1 43 22 30 o -1.000000      1.054000      ?             ?      
1 1 1 43 22 31 o 0.2111000      1.084000      ?             ?      
1 1 1 43 22 32 o -1.426000      1.108000      ?             ?      
1 1 1 43 22 33 o 0.3865000      1.101000      ?             ?      
1 1 1 43 22 34 o -1.500000      1.098000      ?             ?      
1 1 1 43 22 35 o -0.3361000     1.247000      ?             ?      
1 1 1 43 22 36 o 0.5476000      1.170000      ?             ?      
1 1 1 43 22 37 o -0.6704000     1.190000      ?             ?      
1 1 1 43 22 38 o -1.297000      1.104000      ?             ?      
1 1 1 43 22 39 o -0.5795000E-01 1.070000      ?             ?      
1 1 1 43 22 40 o -0.1446000     1.017000      ?             ?      
1 1 1 43 22 41 o -0.4207000     1.018000      ?             ?      
1 1 1 43 22 42 o 0.5181000      1.355000      ?             ?      
1 1 1 43 23 0  o 1.227000       1.524000      ?             ?      
1 1 1 43 23 1  o 0.3203000      1.076000      ?             ?      
1 1 1 43 23 2  o -0.3299000     1.088000      ?             ?      
1 1 1 43 23 3  o 1.005000       1.150000      ?             ?      
1 1 1 43 23 4  o -0.4673000     1.170000      ?             ?      
1 1 1 43 23 5  o -1.808000      1.272000      ?             ?      
1 1 1 43 23 6  o 1.680000       1.197000      ?             ?      
1 1 1 43 23 7  o -1.042000      1.227000      ?             ?      
1 1 1 43 23 8  o 0.5629000      1.254000      ?             ?      
1 1 1 43 23 9  o 0.1154000      1.382000      ?             ?      
1 1 1 43 23 10 o -1.712000      1.362000      ?             ?      
1 1 1 43 23 11 o 0.7743000      1.272000      ?             ?      
1 1 1 43 23 12 o 0.8655000      1.271000      ?             ?      
1 1 1 43 23 13 o 0.9596000      1.041000      ?             ?      
1 1 1 43 23 14 o 0.2267000      1.027000      ?             ?      
1 1 1 43 23 15 o 0.9293000      1.112000      ?             ?      
1 1 1 43 23 16 o -1.329000      1.107000      ?             ?      
1 1 1 43 23 17 o 0.1856000      1.068000      ?             ?      
1 1 1 43 23 18 o 0.2291000      1.074000      ?             ?      
1 1 1 43 23 19 o 0.7862000      1.087000      ?             ?      
1 1 1 43 23 20 o 1.438000       1.096000      ?             ?      
1 1 1 43 23 21 o -0.1375000     1.104000      ?             ?      
1 1 1 43 23 22 o -0.4043000E-01 1.089000      ?             ?      
1 1 1 43 23 23 o -0.4606000     1.086000      ?             ?      
1 1 1 43 23 24 o -0.7816000     1.083000      ?             ?      
1 1 1 43 23 25 o -1.333000      1.237000      ?             ?      
1 1 1 43 23 26 o -1.562000      1.235000      ?             ?      
1 1 1 43 23 27 o 1.349000       1.220000      ?             ?      
1 1 1 43 23 28 o -2.380000      1.086000      ?             ?      
1 1 1 43 23 29 o 0.6719000      1.131000      ?             ?      
1 1 1 43 23 30 o -0.4090000     1.125000      ?             ?      
1 1 1 43 23 31 o -1.202000      1.054000      ?             ?      
1 1 1 43 23 32 o -0.7629000     1.074000      ?             ?      
1 1 1 43 23 33 o 0.2578000      1.113000      ?             ?      
1 1 1 43 23 34 o 0.8245000E-01  1.190000      ?             ?      
1 1 1 43 23 35 o -0.4548000     1.289000      ?             ?      
1 1 1 43 23 36 o -0.9412000     1.333000      ?             ?      
1 1 1 43 23 37 f 1.370000       1.695000      ?             ?      
1 1 1 43 23 38 o -0.5786000     1.360000      ?             ?      
1 1 1 43 23 39 o -1.381000      1.073000      ?             ?      
1 1 1 43 23 40 o -0.7384000     1.026000      ?             ?      
1 1 1 43 23 41 o -1.984000      1.060000      ?             ?      
1 1 1 43 24 0  o 1.431000       1.532000      ?             ?      
1 1 1 43 24 1  o 0.8541000      1.076000      ?             ?      
1 1 1 43 24 2  o -0.5925000     1.013000      ?             ?      
1 1 1 43 24 3  o -1.852000      1.069000      ?             ?      
1 1 1 43 24 4  o 1.073000       1.257000      ?             ?      
1 1 1 43 24 5  o 1.213000       1.277000      ?             ?      
1 1 1 43 24 6  o -1.360000      1.171000      ?             ?      
1 1 1 43 24 7  o 0.6242000      1.149000      ?             ?      
1 1 1 43 24 8  o -0.7697000     1.148000      ?             ?      
1 1 1 43 24 9  o -2.296000      1.139000      ?             ?      
1 1 1 43 24 10 o -0.2677000     1.199000      ?             ?      
1 1 1 43 24 11 o 0.1464000      1.197000      ?             ?      
1 1 1 43 24 12 o 0.3738000      1.328000      ?             ?      
1 1 1 43 24 13 o -1.713000      1.141000      ?             ?      
1 1 1 43 24 14 o 0.7734000E-01  1.113000      ?             ?      
1 1 1 43 24 15 o -0.4121000     1.210000      ?             ?      
1 1 1 43 24 16 o -1.992000      1.077000      ?             ?      
1 1 1 43 24 17 o -1.011000      1.075000      ?             ?      
1 1 1 43 24 18 o 1.086000       1.092000      ?             ?      
1 1 1 43 24 19 o -1.353000      1.086000      ?             ?      
1 1 1 43 24 20 o 0.5028000      1.097000      ?             ?      
1 1 1 43 24 21 o -2.196000      1.075000      ?             ?      
1 1 1 43 24 22 o 0.4863000      1.099000      ?             ?      
1 1 1 43 24 23 o 0.3096000E-01  1.089000      ?             ?      
1 1 1 43 24 24 o 0.5749000      1.090000      ?             ?      
1 1 1 43 24 25 o 0.3824000      1.096000      ?             ?      
1 1 1 43 24 26 o -1.072000      1.086000      ?             ?      
1 1 1 43 24 27 o -0.1535000     1.106000      ?             ?      
1 1 1 43 24 28 o -0.9006000     1.209000      ?             ?      
1 1 1 43 24 29 o 0.9981000      1.214000      ?             ?      
1 1 1 43 24 30 o 0.6263000      1.089000      ?             ?      
1 1 1 43 24 31 o 0.3958000      1.132000      ?             ?      
1 1 1 43 24 32 o 0.5786000      1.166000      ?             ?      
1 1 1 43 24 33 o -0.9710000     1.162000      ?             ?      
1 1 1 43 24 34 o -1.098000      1.294000      ?             ?      
1 1 1 43 24 35 o 0.3179000      1.429000      ?             ?      
1 1 1 43 24 36 o 0.4391000      1.463000      ?             ?      
1 1 1 43 24 37 o 0.2130000E-01  1.123000      ?             ?      
1 1 1 43 24 38 o -0.3781000     1.087000      ?             ?      
1 1 1 43 24 39 o 0.7819000      1.027000      ?             ?      
1 1 1 43 24 40 o -0.1418000     1.031000      ?             ?      
1 1 1 43 25 0  o 1.030000       1.514000      ?             ?      
1 1 1 43 25 1  o 0.1685000      0.9969000     ?             ?      
1 1 1 43 25 2  o -0.8655000     0.9975000     ?             ?      
1 1 1 43 25 3  o 0.1576000E-01  1.083000      ?             ?      
1 1 1 43 25 4  o -0.1703000     1.168000      ?             ?      
1 1 1 43 25 5  o -0.5607000     1.188000      ?             ?      
1 1 1 43 25 6  o -1.584000      1.143000      ?             ?      
1 1 1 43 25 7  o -0.5794000     1.141000      ?             ?      
1 1 1 43 25 8  o -0.8167000     1.204000      ?             ?      
1 1 1 43 25 9  o -2.038000      1.137000      ?             ?      
1 1 1 43 25 10 o -0.3899000E-02 1.138000      ?             ?      
1 1 1 43 25 11 o 0.3773000      1.144000      ?             ?      
1 1 1 43 25 12 o -0.3728000     1.049000      ?             ?      
1 1 1 43 25 13 o 0.4901000      1.084000      ?             ?      
1 1 1 43 25 14 o 1.401000       1.091000      ?             ?      
1 1 1 43 25 15 o -1.365000      1.218000      ?             ?      
1 1 1 43 25 16 o 0.6723000      1.239000      ?             ?      
1 1 1 43 25 17 o -2.922000      1.226000      ?             ?      
1 1 1 43 25 18 o 0.2236000      1.222000      ?             ?      
1 1 1 43 25 19 o -2.135000      1.088000      ?             ?      
1 1 1 43 25 20 o 0.2551000      1.100000      ?             ?      
1 1 1 43 25 21 o -0.6320000     1.085000      ?             ?      
1 1 1 43 25 22 o -0.2677000     1.092000      ?             ?      
1 1 1 43 25 23 o 0.1892000      1.085000      ?             ?      
1 1 1 43 25 24 o -0.2900000     1.070000      ?             ?      
1 1 1 43 25 25 o 0.5327000      1.089000      ?             ?      
1 1 1 43 25 26 o 0.3279000      1.099000      ?             ?      
1 1 1 43 25 27 o -0.2605000     1.082000      ?             ?      
1 1 1 43 25 28 o 0.6435000      1.026000      ?             ?      
1 1 1 43 25 29 o -0.8617000     1.084000      ?             ?      
1 1 1 43 25 30 o 1.399000       1.090000      ?             ?      
1 1 1 43 25 31 o 1.050000       1.216000      ?             ?      
1 1 1 43 25 32 o -1.049000      1.203000      ?             ?      
1 1 1 43 25 33 o -1.316000      1.314000      ?             ?      
1 1 1 43 25 34 o 0.5433000      1.326000      ?             ?      
1 1 1 43 25 35 o 2.199000       1.464000      ?             ?      
1 1 1 43 25 36 o -0.2823000     1.985000      ?             ?      
1 1 1 43 25 37 o -1.150000      1.298000      ?             ?      
1 1 1 43 25 38 o -0.3802000     1.075000      ?             ?      
1 1 1 43 25 39 o -1.039000      1.026000      ?             ?      
1 1 1 43 25 40 o -0.2010000     2.709000      ?             ?      
1 1 1 43 26 0  o -2.234000      1.291000      ?             ?      
1 1 1 43 26 1  o -0.6171000E-01 0.9264000     ?             ?      
1 1 1 43 26 2  o 0.6230000E-01  1.015000      ?             ?      
1 1 1 43 26 3  o -2.153000      1.060000      ?             ?      
1 1 1 43 26 4  o 1.962000       1.205000      ?             ?      
1 1 1 43 26 5  o -0.7632000     1.176000      ?             ?      
1 1 1 43 26 6  o -0.5709000E-01 1.103000      ?             ?      
1 1 1 43 26 7  o 0.7099000E-01  1.114000      ?             ?      
1 1 1 43 26 8  o 1.077000       1.189000      ?             ?      
1 1 1 43 26 9  o -0.1795000     1.135000      ?             ?      
1 1 1 43 26 10 o -1.962000      1.137000      ?             ?      
1 1 1 43 26 11 o -0.4867000     1.145000      ?             ?      
1 1 1 43 26 12 o -1.473000      1.016000      ?             ?      
1 1 1 43 26 13 o -0.7945000     1.019000      ?             ?      
1 1 1 43 26 14 o -0.7451000     1.014000      ?             ?      
1 1 1 43 26 15 o 0.9813000      1.014000      ?             ?      
1 1 1 43 26 16 o -0.4886000     1.118000      ?             ?      
1 1 1 43 26 17 o -0.1670000     1.142000      ?             ?      
1 1 1 43 26 18 o 0.7396000      1.235000      ?             ?      
1 1 1 43 26 19 o 0.4195000      1.443000      ?             ?      
1 1 1 43 26 20 o 0.6676000      1.243000      ?             ?      
1 1 1 43 26 21 o -1.563000      1.109000      ?             ?      
1 1 1 43 26 22 o -1.408000      1.090000      ?             ?      
1 1 1 43 26 23 o -0.2008000     1.086000      ?             ?      
1 1 1 43 26 24 o -0.1713000E-01 1.092000      ?             ?      
1 1 1 43 26 25 o 0.3254000      1.094000      ?             ?      
1 1 1 43 26 26 o -0.5576000E-01 1.104000      ?             ?      
1 1 1 43 26 27 o -0.9986000     1.101000      ?             ?      
1 1 1 43 26 28 o -0.7264000E-01 1.104000      ?             ?      
1 1 1 43 26 29 o -0.3065000     1.104000      ?             ?      
1 1 1 43 26 30 o -1.034000      1.100000      ?             ?      
1 1 1 43 26 31 o 0.5188000      1.089000      ?             ?      
1 1 1 43 26 32 o -1.749000      1.185000      ?             ?      
1 1 1 43 26 33 o 1.452000       1.285000      ?             ?      
1 1 1 43 26 34 o -2.120000      1.487000      ?             ?      
1 1 1 43 26 35 o 0.4465000      1.401000      ?             ?      
1 1 1 43 26 36 o -2.043000      1.324000      ?             ?      
1 1 1 43 26 37 o -0.7790000     1.463000      ?             ?      
1 1 1 43 26 38 o -1.484000      1.140000      ?             ?      
1 1 1 43 26 39 o 1.166000       2.232000      ?             ?      
1 1 1 43 27 0  o -0.4868000     1.292000      ?             ?      
1 1 1 43 27 1  o 1.608000       0.9207000     ?             ?      
1 1 1 43 27 2  o 0.2930000      1.034000      ?             ?      
1 1 1 43 27 3  o -0.7846000     1.162000      ?             ?      
1 1 1 43 27 4  o -1.489000      1.181000      ?             ?      
1 1 1 43 27 5  o -1.094000      1.127000      ?             ?      
1 1 1 43 27 6  o -0.6165000     1.090000      ?             ?      
1 1 1 43 27 7  o 0.6220000      1.173000      ?             ?      
1 1 1 43 27 8  o -0.7793000     1.165000      ?             ?      
1 1 1 43 27 9  o 0.5195000      1.192000      ?             ?      
1 1 1 43 27 10 o 0.1634000      1.114000      ?             ?      
1 1 1 43 27 11 o 1.116000       1.028000      ?             ?      
1 1 1 43 27 12 o 1.169000       1.029000      ?             ?      
1 1 1 43 27 13 o -0.6260000     1.021000      ?             ?      
1 1 1 43 27 14 o -0.5065000     1.019000      ?             ?      
1 1 1 43 27 15 o 0.6463000      1.029000      ?             ?      
1 1 1 43 27 16 o -0.8302000     1.100000      ?             ?      
1 1 1 43 27 17 o 1.562000       1.105000      ?             ?      
1 1 1 43 27 18 o 0.6995000      1.140000      ?             ?      
1 1 1 43 27 19 o 0.9111000E-01  1.157000      ?             ?      
1 1 1 43 27 20 o -0.3967000     1.130000      ?             ?      
1 1 1 43 27 21 o 0.1534000      1.236000      ?             ?      
1 1 1 43 27 22 o 3.436000       1.456000      ?             ?      
1 1 1 43 27 23 o -0.6413000     1.235000      ?             ?      
1 1 1 43 27 24 o 0.5454000      1.113000      ?             ?      
1 1 1 43 27 25 o -1.069000      1.118000      ?             ?      
1 1 1 43 27 26 o -0.1139000     1.098000      ?             ?      
1 1 1 43 27 27 o 1.004000       1.113000      ?             ?      
1 1 1 43 27 28 o 2.216000       1.113000      ?             ?      
1 1 1 43 27 29 o 0.7281000      1.111000      ?             ?      
1 1 1 43 27 30 o 1.192000       1.124000      ?             ?      
1 1 1 43 27 31 o -0.8589000     1.214000      ?             ?      
1 1 1 43 27 32 o -0.5972000     1.330000      ?             ?      
1 1 1 43 27 33 o -0.2946000     1.316000      ?             ?      
1 1 1 43 27 34 o -2.268000      1.199000      ?             ?      
1 1 1 43 27 35 o 1.402000       1.300000      ?             ?      
1 1 1 43 27 36 o 0.3012000      1.344000      ?             ?      
1 1 1 43 27 37 o 0.9985000      1.355000      ?             ?      
1 1 1 43 27 38 o 0.1880000      2.720000      ?             ?      
1 1 1 43 28 0  o -0.8241000     1.303000      ?             ?      
1 1 1 43 28 1  o -0.4800000E-02 0.9164000     ?             ?      
1 1 1 43 28 2  o 0.7877000E-01  0.9546000     ?             ?      
1 1 1 43 28 3  o 0.7266000      1.064000      ?             ?      
1 1 1 43 28 4  o -2.331000      1.072000      ?             ?      
1 1 1 43 28 5  o -0.4143000     1.107000      ?             ?      
1 1 1 43 28 6  o 0.8870000      1.103000      ?             ?      
1 1 1 43 28 7  o 0.2969000      1.156000      ?             ?      
1 1 1 43 28 8  o -1.102000      1.152000      ?             ?      
1 1 1 43 28 9  o 1.236000       1.197000      ?             ?      
1 1 1 43 28 10 o -1.679000      1.194000      ?             ?      
1 1 1 43 28 11 o 1.013000       1.027000      ?             ?      
1 1 1 43 28 12 o -0.8340000E-01 1.038000      ?             ?      
1 1 1 43 28 13 o 0.9306000      1.039000      ?             ?      
1 1 1 43 28 14 o -0.1341000     1.028000      ?             ?      
1 1 1 43 28 15 o -0.1765000     1.034000      ?             ?      
1 1 1 43 28 16 o 0.2106000      1.107000      ?             ?      
1 1 1 43 28 17 o -0.1620000     1.109000      ?             ?      
1 1 1 43 28 18 o -0.8978000     1.132000      ?             ?      
1 1 1 43 28 19 o -1.498000      1.113000      ?             ?      
1 1 1 43 28 20 o 0.2610000      1.110000      ?             ?      
1 1 1 43 28 21 o -0.5828000E-01 1.125000      ?             ?      
1 1 1 43 28 22 o -0.6825000     1.117000      ?             ?      
1 1 1 43 28 23 o -0.8683000     1.137000      ?             ?      
1 1 1 43 28 24 o 1.375000       1.274000      ?             ?      
1 1 1 43 28 25 o -0.8936000E-01 1.436000      ?             ?      
1 1 1 43 28 26 o -0.7307000     1.246000      ?             ?      
1 1 1 43 28 27 o -1.311000      1.114000      ?             ?      
1 1 1 43 28 28 o -0.1163000     1.124000      ?             ?      
1 1 1 43 28 29 o -0.7014000     1.115000      ?             ?      
1 1 1 43 28 30 o 1.816000       1.142000      ?             ?      
1 1 1 43 28 31 o 0.1843000      1.111000      ?             ?      
1 1 1 43 28 32 o -1.542000      1.361000      ?             ?      
1 1 1 43 28 33 o -0.1678000     1.282000      ?             ?      
1 1 1 43 28 34 o 0.4160000      1.216000      ?             ?      
1 1 1 43 28 35 o 1.458000       1.407000      ?             ?      
1 1 1 43 28 36 o -2.065000      1.357000      ?             ?      
1 1 1 43 28 37 o -3.235000      2.826000      ?             ?      
1 1 1 43 29 0  o -1.636000      1.299000      ?             ?      
1 1 1 43 29 1  o 0.3793000      0.9522000     ?             ?      
1 1 1 43 29 2  o 0.3593000      1.044000      ?             ?      
1 1 1 43 29 3  o 1.696000       1.055000      ?             ?      
1 1 1 43 29 4  o -0.2052000     1.056000      ?             ?      
1 1 1 43 29 5  o -0.2371000     1.027000      ?             ?      
1 1 1 43 29 6  o 0.7563000      1.130000      ?             ?      
1 1 1 43 29 7  o 1.006000       1.183000      ?             ?      
1 1 1 43 29 8  o -0.4887000     1.151000      ?             ?      
1 1 1 43 29 9  o 1.152000       1.199000      ?             ?      
1 1 1 43 29 10 o 0.4995000      1.079000      ?             ?      
1 1 1 43 29 11 o -0.7423000     1.077000      ?             ?      
1 1 1 43 29 12 o -0.1322000     1.031000      ?             ?      
1 1 1 43 29 13 o 0.1826000      1.042000      ?             ?      
1 1 1 43 29 14 o -0.5070000     1.036000      ?             ?      
1 1 1 43 29 15 o 1.117000       1.042000      ?             ?      
1 1 1 43 29 16 o -0.1998000     1.117000      ?             ?      
1 1 1 43 29 17 o -0.2140000     1.114000      ?             ?      
1 1 1 43 29 18 o 1.001000       1.129000      ?             ?      
1 1 1 43 29 19 o 0.9485000      1.132000      ?             ?      
1 1 1 43 29 20 o 0.4696000      1.116000      ?             ?      
1 1 1 43 29 21 o -0.3936000     1.111000      ?             ?      
1 1 1 43 29 22 o -0.4573000     1.126000      ?             ?      
1 1 1 43 29 23 o -0.4497000     1.132000      ?             ?      
1 1 1 43 29 24 o 1.317000       1.122000      ?             ?      
1 1 1 43 29 25 o 1.773000       1.144000      ?             ?      
1 1 1 43 29 26 o -0.9988000     1.252000      ?             ?      
1 1 1 43 29 27 o -1.038000      1.481000      ?             ?      
1 1 1 43 29 28 o -0.5215000     1.410000      ?             ?      
1 1 1 43 29 29 o -0.1956000     1.257000      ?             ?      
1 1 1 43 29 30 o 0.1112000      1.277000      ?             ?      
1 1 1 43 29 31 o -1.519000      1.389000      ?             ?      
1 1 1 43 29 32 o 0.4933000      1.269000      ?             ?      
1 1 1 43 29 33 o -1.611000      1.232000      ?             ?      
1 1 1 43 29 34 o -0.5500000     1.247000      ?             ?      
1 1 1 43 29 35 o -0.1517000     1.405000      ?             ?      
1 1 1 43 29 36 o 4.046000       2.285000      ?             ?      
1 1 1 43 30 0  o -0.7627000     1.307000      ?             ?      
1 1 1 43 30 1  o 0.6833000      0.9575000     ?             ?      
1 1 1 43 30 2  o 0.2868000      1.040000      ?             ?      
1 1 1 43 30 3  o -0.1666000     1.057000      ?             ?      
1 1 1 43 30 4  o 1.431000       1.074000      ?             ?      
1 1 1 43 30 5  o 0.8623000      1.030000      ?             ?      
1 1 1 43 30 6  o 0.1400000      1.119000      ?             ?      
1 1 1 43 30 7  o -0.4064000     1.135000      ?             ?      
1 1 1 43 30 8  o -0.5616000     1.138000      ?             ?      
1 1 1 43 30 9  o 3.972000       1.190000      ?             ?      
1 1 1 43 30 10 o -0.1848000     1.068000      ?             ?      
1 1 1 43 30 11 o -1.010000      1.066000      ?             ?      
1 1 1 43 30 12 o 0.3093000      1.094000      ?             ?      
1 1 1 43 30 13 o -0.6704000     1.039000      ?             ?      
1 1 1 43 30 14 o 0.2624000      1.039000      ?             ?      
1 1 1 43 30 15 o 1.366000       1.041000      ?             ?      
1 1 1 43 30 16 o 0.1244000      1.123000      ?             ?      
1 1 1 43 30 17 o -1.189000      1.127000      ?             ?      
1 1 1 43 30 18 o 0.4962000      1.106000      ?             ?      
1 1 1 43 30 19 f -0.6245000     1.113000      ?             ?      
1 1 1 43 30 20 o 0.4139000      1.119000      ?             ?      
1 1 1 43 30 21 o 0.7697000      1.123000      ?             ?      
1 1 1 43 30 22 o 0.1193000      1.123000      ?             ?      
1 1 1 43 30 23 o 0.1321000E-02  1.112000      ?             ?      
1 1 1 43 30 24 o 1.747000       1.126000      ?             ?      
1 1 1 43 30 25 o -0.2874000E-01 1.124000      ?             ?      
1 1 1 43 30 26 o 0.2911000      1.138000      ?             ?      
1 1 1 43 30 27 o -0.3509000     1.148000      ?             ?      
1 1 1 43 30 28 o 2.087000       1.160000      ?             ?      
1 1 1 43 30 29 o 2.611000       1.480000      ?             ?      
1 1 1 43 30 30 o -2.726000      1.419000      ?             ?      
1 1 1 43 30 31 o 0.5294000E-01  1.440000      ?             ?      
1 1 1 43 30 32 o -0.1479000     1.366000      ?             ?      
1 1 1 43 30 33 o 0.4283000      1.253000      ?             ?      
1 1 1 43 30 34 o 1.151000       1.458000      ?             ?      
1 1 1 43 30 35 < 0.000000       -1.000000     ?             ?      
1 1 1 43 31 0  o -0.7036000     1.298000      ?             ?      
1 1 1 43 31 1  o -0.2730000     1.229000      ?             ?      
1 1 1 43 31 2  o -0.6690000     1.040000      ?             ?      
1 1 1 43 31 3  o -0.7965000E-01 1.047000      ?             ?      
1 1 1 43 31 4  o 0.1299000      1.067000      ?             ?      
1 1 1 43 31 5  o 1.719000       1.141000      ?             ?      
1 1 1 43 31 6  o 1.648000       1.134000      ?             ?      
1 1 1 43 31 7  o 1.261000       1.150000      ?             ?      
1 1 1 43 31 8  o -1.444000      1.141000      ?             ?      
1 1 1 43 31 9  o -0.1764000     1.188000      ?             ?      
1 1 1 43 31 10 o -0.1180000     1.045000      ?             ?      
1 1 1 43 31 11 o -0.6456000     1.048000      ?             ?      
1 1 1 43 31 12 o 0.1442000      1.089000      ?             ?      
1 1 1 43 31 13 o 0.7471000      1.105000      ?             ?      
1 1 1 43 31 14 o 1.757000       1.046000      ?             ?      
1 1 1 43 31 15 o -0.4591000     1.042000      ?             ?      
1 1 1 43 31 16 o -2.030000      1.104000      ?             ?      
1 1 1 43 31 17 o -0.5487000     1.117000      ?             ?      
1 1 1 43 31 18 o 0.6388000      1.120000      ?             ?      
1 1 1 43 31 19 o -0.2213000     1.135000      ?             ?      
1 1 1 43 31 20 o 0.8284000      1.128000      ?             ?      
1 1 1 43 31 21 o 1.093000       1.130000      ?             ?      
1 1 1 43 31 22 o -0.4631000     1.151000      ?             ?      
1 1 1 43 31 23 o 0.2323000      1.181000      ?             ?      
1 1 1 43 31 24 o 0.6184000      1.135000      ?             ?      
1 1 1 43 31 25 o 0.2731000      1.142000      ?             ?      
1 1 1 43 31 26 o -1.880000      1.141000      ?             ?      
1 1 1 43 31 27 o -0.1416000     1.144000      ?             ?      
1 1 1 43 31 28 o 1.417000       1.158000      ?             ?      
1 1 1 43 31 29 o 2.301000       1.467000      ?             ?      
1 1 1 43 31 30 o -0.8946000     1.454000      ?             ?      
1 1 1 43 31 31 o -0.7665000     1.269000      ?             ?      
1 1 1 43 31 32 o 0.8773000      1.362000      ?             ?      
1 1 1 43 31 33 o 0.4891000      1.682000      ?             ?      
1 1 1 43 31 34 < 0.000000       -1.000000     ?             ?      
1 1 1 43 32 0  o 0.9981000      1.398000      ?             ?      
1 1 1 43 32 1  o -0.6526000     1.221000      ?             ?      
1 1 1 43 32 2  o 0.7016000      1.049000      ?             ?      
1 1 1 43 32 3  o -1.700000      1.050000      ?             ?      
1 1 1 43 32 4  o -0.1324000     1.014000      ?             ?      
1 1 1 43 32 5  o -0.2925000     1.113000      ?             ?      
1 1 1 43 32 6  o -0.4423000     1.113000      ?             ?      
1 1 1 43 32 7  o 0.3294000      1.139000      ?             ?      
1 1 1 43 32 8  o -0.1303000     1.159000      ?             ?      
1 1 1 43 32 9  o 0.2164000E-01  1.044000      ?             ?      
1 1 1 43 32 10 o 1.477000       1.051000      ?             ?      
1 1 1 43 32 11 o 0.9295000      1.062000      ?             ?      
1 1 1 43 32 12 o 2.621000       1.088000      ?             ?      
1 1 1 43 32 13 o 0.5460000      1.088000      ?             ?      
1 1 1 43 32 14 o -1.894000      1.085000      ?             ?      
1 1 1 43 32 15 o -0.2516000     1.029000      ?             ?      
1 1 1 43 32 16 o 2.322000       1.127000      ?             ?      
1 1 1 43 32 17 o -0.8878000     1.120000      ?             ?      
1 1 1 43 32 18 o 2.009000       1.136000      ?             ?      
1 1 1 43 32 19 o 0.2106000      1.136000      ?             ?      
1 1 1 43 32 20 o -1.149000      1.144000      ?             ?      
1 1 1 43 32 21 o 0.5666000      1.168000      ?             ?      
1 1 1 43 32 22 o -0.5706000     1.158000      ?             ?      
1 1 1 43 32 23 o 0.1780000E-02  1.150000      ?             ?      
1 1 1 43 32 24 o -0.7702000     1.208000      ?             ?      
1 1 1 43 32 25 o 0.7978000      1.008000      ?             ?      
1 1 1 43 32 26 o 0.6030000      1.162000      ?             ?      
1 1 1 43 32 27 o -1.037000      1.162000      ?             ?      
1 1 1 43 32 28 o -0.4537000     1.492000      ?             ?      
1 1 1 43 32 29 o -1.692000      1.458000      ?             ?      
1 1 1 43 32 30 o -0.9483000     1.287000      ?             ?      
1 1 1 43 32 31 o -0.1069000     1.303000      ?             ?      
1 1 1 43 32 32 o -0.5987000E-01 1.630000      ?             ?      
1 1 1 43 33 0  o 0.2717000      1.752000      ?             ?      
1 1 1 43 33 1  o -1.076000      1.236000      ?             ?      
1 1 1 43 33 2  o -0.8676000     1.042000      ?             ?      
1 1 1 43 33 3  o -0.4955000     1.047000      ?             ?      
1 1 1 43 33 4  o 0.9731000      1.118000      ?             ?      
1 1 1 43 33 5  o -1.054000      1.099000      ?             ?      
1 1 1 43 33 6  o 0.5617000      1.114000      ?             ?      
1 1 1 43 33 7  o -0.1460000     1.133000      ?             ?      
1 1 1 43 33 8  o 0.9845000      1.166000      ?             ?      
1 1 1 43 33 9  o 0.2926000E-01  1.031000      ?             ?      
1 1 1 43 33 10 o -1.086000      1.049000      ?             ?      
1 1 1 43 33 11 o 0.4469000      1.070000      ?             ?      
1 1 1 43 33 12 o 0.1219000      1.082000      ?             ?      
1 1 1 43 33 13 o -1.249000      1.197000      ?             ?      
1 1 1 43 33 14 o -0.7391000     1.102000      ?             ?      
1 1 1 43 33 15 o -0.8181000     1.112000      ?             ?      
1 1 1 43 33 16 o 0.4513000      1.134000      ?             ?      
1 1 1 43 33 17 o -0.3953000     1.144000      ?             ?      
1 1 1 43 33 18 o 1.234000       1.160000      ?             ?      
1 1 1 43 33 19 o 0.3556000      1.165000      ?             ?      
1 1 1 43 33 20 o 2.944000       1.194000      ?             ?      
1 1 1 43 33 21 o 0.2861000      2.133000      ?             ?      
1 1 1 43 33 22 o 0.4231000      1.172000      ?             ?      
1 1 1 43 33 23 o 0.4973000      1.161000      ?             ?      
1 1 1 43 33 24 o 3.771000       2.140000      ?             ?      
1 1 1 43 33 25 o -1.790000      1.195000      ?             ?      
1 1 1 43 33 26 o 3.105000       2.144000      ?             ?      
1 1 1 43 33 27 o -0.8300000     1.516000      ?             ?      
1 1 1 43 33 28 o -0.5875000E-02 1.535000      ?             ?      
1 1 1 43 33 29 o -0.8438000     1.575000      ?             ?      
1 1 1 43 33 30 o 2.260000       1.574000      ?             ?      
1 1 1 43 33 31 o 1.488000       1.629000      ?             ?      
1 1 1 43 34 0  o -1.263000      1.757000      ?             ?      
1 1 1 43 34 1  o 1.937000       1.154000      ?             ?      
1 1 1 43 34 2  o 0.6878000      1.056000      ?             ?      
1 1 1 43 34 3  o 1.148000       1.167000      ?             ?      
1 1 1 43 34 4  o -1.336000      1.107000      ?             ?      
1 1 1 43 34 5  o 1.357000       1.121000      ?             ?      
1 1 1 43 34 6  o 0.1392000      1.127000      ?             ?      
1 1 1 43 34 7  o -0.1588000     1.134000      ?             ?      
1 1 1 43 34 8  o -0.6616000     1.026000      ?             ?      
1 1 1 43 34 9  o 0.3000000      1.036000      ?             ?      
1 1 1 43 34 10 o 0.1641000E-01  1.051000      ?             ?      
1 1 1 43 34 11 f -0.8642000     1.072000      ?             ?      
1 1 1 43 34 12 o -1.051000      1.084000      ?             ?      
1 1 1 43 34 13 o -0.8055000E-01 1.101000      ?             ?      
1 1 1 43 34 14 o -0.6455000     1.119000      ?             ?      
1 1 1 43 34 15 o 0.5913000      1.130000      ?             ?      
1 1 1 43 34 16 o 0.5287000      1.138000      ?             ?      
1 1 1 43 34 17 o -0.3689000     1.149000      ?             ?      
1 1 1 43 34 18 o 0.5890000      1.158000      ?             ?      
1 1 1 43 34 19 o -1.408000      1.172000      ?             ?      
1 1 1 43 34 20 o -1.915000      2.124000      ?             ?      
1 1 1 43 34 21 o -1.008000      1.172000      ?             ?      
1 1 1 43 34 22 o -1.756000      1.166000      ?             ?      
1 1 1 43 34 23 o 0.5583000      1.177000      ?             ?      
1 1 1 43 34 24 o -1.834000      1.185000      ?             ?      
1 1 1 43 34 25 o -0.7607000     1.187000      ?             ?      
1 1 1 43 34 26 f 0.6855000      1.263000      ?             ?      
1 1 1 43 34 27 o -0.7312000     1.637000      ?             ?      
1 1 1 43 34 28 o 1.089000       1.663000      ?             ?      
1 1 1 43 34 29 o 2.554000       2.916000      ?             ?      
1 1 1 43 34 30 < 0.000000       -1.000000     ?             ?      
1 1 1 43 35 0  o 2.816000       1.821000      ?             ?      
1 1 1 43 35 1  o -1.229000      1.236000      ?             ?      
1 1 1 43 35 2  o -0.9810000E-01 1.171000      ?             ?      
1 1 1 43 35 3  o -1.337000      1.080000      ?             ?      
1 1 1 43 35 4  o -0.6201000     1.137000      ?             ?      
1 1 1 43 35 5  o 1.686000       2.009000      ?             ?      
1 1 1 43 35 6  o 0.1085000      1.135000      ?             ?      
1 1 1 43 35 7  o 1.510000       1.155000      ?             ?      
1 1 1 43 35 8  o 1.371000       1.040000      ?             ?      
1 1 1 43 35 9  o -1.665000      1.046000      ?             ?      
1 1 1 43 35 10 o 0.1986000      1.062000      ?             ?      
1 1 1 43 35 11 o 0.4252000      1.083000      ?             ?      
1 1 1 43 35 12 o -0.2794000     1.083000      ?             ?      
1 1 1 43 35 13 o -0.4639000E-01 1.107000      ?             ?      
1 1 1 43 35 14 o 1.316000       1.128000      ?             ?      
1 1 1 43 35 15 o -0.8142000     1.145000      ?             ?      
1 1 1 43 35 16 o 0.1847000      1.144000      ?             ?      
1 1 1 43 35 17 o 0.8720000      1.282000      ?             ?      
1 1 1 43 35 18 o 0.3239000      1.174000      ?             ?      
1 1 1 43 35 19 o -0.6778000     0.9884000     ?             ?      
1 1 1 43 35 20 f -0.8153000     1.166000      ?             ?      
1 1 1 43 35 21 o -0.4686000     1.185000      ?             ?      
1 1 1 43 35 22 o 1.504000       1.183000      ?             ?      
1 1 1 43 35 23 o 1.056000       1.185000      ?             ?      
1 1 1 43 35 24 o -3.288000      2.141000      ?             ?      
1 1 1 43 35 25 o 0.9830000      1.262000      ?             ?      
1 1 1 43 35 26 o -2.197000      1.621000      ?             ?      
1 1 1 43 35 27 o 0.2157000      2.209000      ?             ?      
1 1 1 43 35 28 o 0.3336000      1.688000      ?             ?      
1 1 1 43 36 0  o -0.8532000     1.810000      ?             ?      
1 1 1 43 36 1  o 1.161000       1.380000      ?             ?      
1 1 1 43 36 2  o -0.6845000     1.095000      ?             ?      
1 1 1 43 36 3  o -1.508000      1.149000      ?             ?      
1 1 1 43 36 4  o 1.325000       1.138000      ?             ?      
1 1 1 43 36 5  o -0.2369000     1.119000      ?             ?      
1 1 1 43 36 6  o -1.176000      1.141000      ?             ?      
1 1 1 43 36 7  o 0.6304000      1.038000      ?             ?      
1 1 1 43 36 8  o -0.9239000     1.043000      ?             ?      
1 1 1 43 36 9  o 0.3032000      1.052000      ?             ?      
1 1 1 43 36 10 o 0.5333000      1.065000      ?             ?      
1 1 1 43 36 11 o 0.1684000      1.077000      ?             ?      
1 1 1 43 36 12 o -0.9079000     1.096000      ?             ?      
1 1 1 43 36 13 o 1.295000       1.116000      ?             ?      
1 1 1 43 36 14 o 1.158000       1.144000      ?             ?      
1 1 1 43 36 15 o -0.5842000     1.162000      ?             ?      
1 1 1 43 36 16 o 0.2677000      1.159000      ?             ?      
1 1 1 43 36 17 o 0.8064000      1.307000      ?             ?      
1 1 1 43 36 18 o -0.5038000E-01 1.283000      ?             ?      
1 1 1 43 36 19 o 0.2875000      1.185000      ?             ?      
1 1 1 43 36 20 o -1.284000      1.189000      ?             ?      
1 1 1 43 36 21 o -0.4414000     1.202000      ?             ?      
1 1 1 43 36 22 o -0.7635000     1.232000      ?             ?      
1 1 1 43 36 23 o -1.261000      1.217000      ?             ?      
1 1 1 43 36 24 o -1.366000      1.214000      ?             ?      
1 1 1 43 36 25 o 2.830000       2.232000      ?             ?      
1 1 1 43 36 26 f 4.649000       4.195000      ?             ?      
1 1 1 43 37 0  o 8.543000       3.962000      ?             ?      
1 1 1 43 37 1  o -0.1366000     1.262000      ?             ?      
1 1 1 43 37 2  o 1.069000       1.177000      ?             ?      
1 1 1 43 37 3  o -0.4193000     1.163000      ?             ?      
1 1 1 43 37 4  o -0.3807000E-01 1.139000      ?             ?      
1 1 1 43 37 5  o -1.241000      1.138000      ?             ?      
1 1 1 43 37 6  o -0.7176000     1.165000      ?             ?      
1 1 1 43 37 7  o 0.1126000      1.041000      ?             ?      
1 1 1 43 37 8  o 1.251000       1.052000      ?             ?      
1 1 1 43 37 9  o -0.1664000     1.064000      ?             ?      
1 1 1 43 37 10 o -0.3160000     1.079000      ?             ?      
1 1 1 43 37 11 o 1.617000       1.100000      ?             ?      
1 1 1 43 37 12 o 0.9595000      1.113000      ?             ?      
1 1 1 43 37 13 o -0.3448000     1.122000      ?             ?      
1 1 1 43 37 14 o -0.4733000     1.234000      ?             ?      
1 1 1 43 37 15 o -2.360000      1.303000      ?             ?      
1 1 1 43 37 16 o -4.000000      2.170000      ?             ?      
1 1 1 43 37 17 o -0.7399000     1.296000      ?             ?      
1 1 1 43 37 18 f -0.6515000     1.317000      ?             ?      
1 1 1 43 37 19 o -0.5869000     1.340000      ?             ?      
1 1 1 43 37 20 o 0.2840000E-01  1.229000      ?             ?      
1 1 1 43 37 21 o 1.647000       1.213000      ?             ?      
1 1 1 43 37 22 o -1.054000      1.202000      ?             ?      
1 1 1 43 37 23 o 0.4630000      1.591000      ?             ?      
1 1 1 43 37 24 o 1.646000       2.212000      ?             ?      
1 1 1 43 38 0  o -2.941000      2.509000      ?             ?      
1 1 1 43 38 1  o -0.3799000     1.398000      ?             ?      
1 1 1 43 38 2  o 1.181000       1.410000      ?             ?      
1 1 1 43 38 3  o -2.357000      1.172000      ?             ?      
1 1 1 43 38 4  o -0.8683000     1.146000      ?             ?      
1 1 1 43 38 5  o -0.5189000     1.157000      ?             ?      
1 1 1 43 38 6  o -0.7131000     1.066000      ?             ?      
1 1 1 43 38 7  o 0.5935000      1.060000      ?             ?      
1 1 1 43 38 8  o -0.1387000     1.065000      ?             ?      
1 1 1 43 38 9  o -0.5626000E-02 1.079000      ?             ?      
1 1 1 43 38 10 o -0.6742000     1.093000      ?             ?      
1 1 1 43 38 11 o 1.171000       1.215000      ?             ?      
1 1 1 43 38 12 o -1.135000      1.211000      ?             ?      
1 1 1 43 38 13 o 0.3313000      1.136000      ?             ?      
1 1 1 43 38 14 o -0.4014000     1.147000      ?             ?      
1 1 1 43 38 15 o 1.065000       1.206000      ?             ?      
1 1 1 43 38 16 o -0.6275000     1.209000      ?             ?      
1 1 1 43 38 17 o -0.3964000     1.183000      ?             ?      
1 1 1 43 38 18 o 1.369000       1.359000      ?             ?      
1 1 1 43 38 19 o -1.213000      1.318000      ?             ?      
1 1 1 43 38 20 o 0.3982000E-01  1.332000      ?             ?      
1 1 1 43 38 21 o 2.317000       1.603000      ?             ?      
1 1 1 43 38 22 o 0.4152000      1.570000      ?             ?      
1 1 1 43 39 0  o -3.314000      2.518000      ?             ?      
1 1 1 43 39 1  o 0.7659000      1.305000      ?             ?      
1 1 1 43 39 2  o 0.4432000      2.236000      ?             ?      
1 1 1 43 39 3  o 1.077000       1.323000      ?             ?      
1 1 1 43 39 4  o -1.151000      1.163000      ?             ?      
1 1 1 43 39 5  o 1.201000       1.189000      ?             ?      
1 1 1 43 39 6  o -0.1178000     1.077000      ?             ?      
1 1 1 43 39 7  o -0.5233000E-01 1.080000      ?             ?      
1 1 1 43 39 8  o -0.1091000     1.182000      ?             ?      
1 1 1 43 39 9  o 0.6695000      2.163000      ?             ?      
1 1 1 43 39 10 o -0.7186000E-01 1.102000      ?             ?      
1 1 1 43 39 11 o -0.5190000     1.108000      ?             ?      
1 1 1 43 39 12 o -0.4464000     1.137000      ?             ?      
1 1 1 43 39 13 o -0.2171000     1.169000      ?             ?      
1 1 1 43 39 14 o -0.7610000     1.227000      ?             ?      
1 1 1 43 39 15 o -0.9089000     1.205000      ?             ?      
1 1 1 43 39 16 o -0.5269000     1.189000      ?             ?      
1 1 1 43 39 17 o 1.247000       1.355000      ?             ?      
1 1 1 43 39 18 o 0.4242000      1.585000      ?             ?      
1 1 1 43 39 19 o -0.4705000     1.581000      ?             ?      
1 1 1 43 39 20 o -0.1134000E-02 1.043000      ?             ?      
1 1 1 43 40 0  o -0.5656000     2.639000      ?             ?      
1 1 1 43 40 1  o 0.6074000      1.448000      ?             ?      
1 1 1 43 40 2  o -0.7604000     1.154000      ?             ?      
1 1 1 43 40 3  o 1.244000       1.365000      ?             ?      
1 1 1 43 40 4  o 0.1546000E-01  1.180000      ?             ?      
1 1 1 43 40 5  o 1.169000       1.203000      ?             ?      
1 1 1 43 40 6  o 0.5531000      1.155000      ?             ?      
1 1 1 43 40 7  o -0.2842000     1.096000      ?             ?      
1 1 1 43 40 8  o -0.7231000     1.093000      ?             ?      
1 1 1 43 40 9  o -1.003000      1.038000      ?             ?      
1 1 1 43 40 10 o 1.272000       1.125000      ?             ?      
1 1 1 43 40 11 o -1.409000      2.000000      ?             ?      
1 1 1 43 40 12 o -0.9748000     1.190000      ?             ?      
1 1 1 43 40 13 o -0.6322000     1.192000      ?             ?      
1 1 1 43 40 14 o -0.5251000     1.300000      ?             ?      
1 1 1 43 40 15 o -0.3452000     1.594000      ?             ?      
1 1 1 43 40 16 o 1.244000       1.626000      ?             ?      
1 1 1 43 40 17 o 0.5192000      1.250000      ?             ?      
1 1 1 43 41 0  o 3.344000       2.688000      ?             ?      
1 1 1 43 41 1  o -0.3122000     1.385000      ?             ?      
1 1 1 43 41 2  o 1.362000       1.179000      ?             ?      
1 1 1 43 41 3  o 0.3904000      1.354000      ?             ?      
1 1 1 43 41 4  o -2.105000      1.326000      ?             ?      
1 1 1 43 41 5  o 0.1557000      1.097000      ?             ?      
1 1 1 43 41 6  o -0.5488000     1.080000      ?             ?      
1 1 1 43 41 7  o 1.463000       1.104000      ?             ?      
1 1 1 43 41 8  o 0.7986000      1.257000      ?             ?      
1 1 1 43 41 9  o -0.1918000E-01 1.154000      ?             ?      
1 1 1 43 41 10 o 0.7921000      2.224000      ?             ?      
1 1 1 43 41 11 o 0.4202000      1.261000      ?             ?      
1 1 1 43 41 12 o 0.2420000      3.118000      ?             ?      
1 1 1 43 41 13 o 0.5179000      1.590000      ?             ?      
1 1 1 43 41 14 o -0.8274000     2.222000      ?             ?      
1 1 1 43 42 0  o 4.895000       2.794000      ?             ?      
1 1 1 43 42 1  o 0.3745000      1.402000      ?             ?      
1 1 1 43 42 2  o 0.6200000      1.183000      ?             ?      
1 1 1 43 42 3  o 0.9624000      1.359000      ?             ?      
1 1 1 43 42 4  o -1.749000      1.349000      ?             ?      
1 1 1 43 42 5  o -0.2680000     2.828000      ?             ?      
1 1 1 43 42 6  o -0.4996000     1.278000      ?             ?      
1 1 1 43 42 7  o 1.071000       1.544000      ?             ?      
1 1 1 43 42 8  o -0.2408000     1.515000      ?             ?      
1 1 1 43 42 9  < 0.000000       -1.000000     ?             ?      
1 1 1 43 42 10 < 0.000000       -1.000000     ?             ?      
1 1 1 44 0  0  o -2.120000      2.509000      50.27777      180.0  
1 1 1 44 0  1  o -1.165000      1.765000      130.5373      90.0   
1 1 1 44 0  2  o 2.806000       1.803000      153.6483      0.0    
1 1 1 44 0  3  o -0.9476000     1.811000      36.65440      -90.0  
1 1 1 44 0  4  o 3.246000       1.841000      85.18705      0.0    
1 1 1 44 0  5  o -1.117000      1.841000      111.0571      -90.0  
1 1 1 44 0  6  o 3.233000       1.910000      238.6051      180.0  
1 1 1 44 0  7  o 2.892000       2.028000      155.7504      -90.0  
1 1 1 44 0  8  o -1.925000      2.403000      87.14768      0.0    
1 1 1 44 0  9  o 2.160000       2.517000      200.6198      -90.0  
1 1 1 44 0  10 o 3.374000       4.096000      148.0260      0.0    
1 1 1 44 0  11 o 0.1827000      2.380000      43.70827      -90.0  
1 1 1 44 0  12 o 1.704000       2.212000      ?             ?      
1 1 1 44 0  13 o 0.1062000      1.883000      ?             ?      
1 1 1 44 0  14 o 2.585000       1.852000      ?             ?      
1 1 1 44 0  15 o 1.928000       1.792000      ?             ?      
1 1 1 44 0  16 o 0.7863000      1.889000      ?             ?      
1 1 1 44 0  17 o -1.135000      1.644000      ?             ?      
1 1 1 44 0  18 o -1.591000      1.603000      ?             ?      
1 1 1 44 0  19 o -2.102000      1.420000      ?             ?      
1 1 1 44 0  20 o -0.7948000     1.423000      ?             ?      
1 1 1 44 0  21 o 2.027000       1.378000      ?             ?      
1 1 1 44 0  22 o 2.008000       1.355000      ?             ?      
1 1 1 44 0  23 o -1.491000      1.331000      ?             ?      
1 1 1 44 0  24 o 0.4635000      1.312000      ?             ?      
1 1 1 44 0  25 o 0.9613000      1.299000      ?             ?      
1 1 1 44 0  26 o 0.9274000      1.274000      ?             ?      
1 1 1 44 0  27 o -0.5173000     1.264000      ?             ?      
1 1 1 44 0  28 o 0.5593000      1.256000      ?             ?      
1 1 1 44 0  29 o -0.8398000E-01 1.238000      ?             ?      
1 1 1 44 0  30 o 1.988000       1.261000      ?             ?      
1 1 1 44 0  31 o -0.9670000     1.263000      ?             ?      
1 1 1 44 0  32 o -2.058000      1.250000      ?             ?      
1 1 1 44 0  33 o -0.5052000     1.388000      ?             ?      
1 1 1 44 0  34 o 3.165000       1.474000      ?             ?      
1 1 1 44 0  35 o 0.1075000      1.355000      ?             ?      
1 1 1 44 0  36 o -0.2566000     1.358000      ?             ?      
1 1 1 44 0  37 o 0.8979000      1.266000      ?             ?      
1 1 1 44 0  38 o 0.8897000      1.262000      ?             ?      
1 1 1 44 0  39 o -0.5789000     1.275000      ?             ?      
1 1 1 44 0  40 o -1.040000      1.296000      ?             ?      
1 1 1 44 0  41 o 0.3606000      1.326000      ?             ?      
1 1 1 44 0  42 o 0.9941000      1.792000      ?             ?      
1 1 1 44 0  43 o 1.154000       1.835000      ?             ?      
1 1 1 44 0  44 o -0.5524000     1.544000      ?             ?      
1 1 1 44 0  45 o 1.147000       1.648000      ?             ?      
1 1 1 44 0  46 o -0.5443000     1.630000      ?             ?      
1 1 1 44 0  47 o 1.128000       1.652000      ?             ?      
1 1 1 44 1  0  o 0.8627000E-01  1.863000      90.91700      -180.0 
1 1 1 44 1  1  o -1.507000      1.287000      85.75546      -130.2 
1 1 1 44 1  2  o -1.616000      1.266000      60.37132      -173.1 
1 1 1 44 1  3  o -0.6706000     1.279000      169.8043      138.3  
1 1 1 44 1  4  o -0.9510000     1.291000      23.19638      118.0  
1 1 1 44 1  5  o -0.2640000     1.269000      56.06522      -103.5 
1 1 1 44 1  6  o 0.4665000      1.350000      68.66863      -1.7   
1 1 1 44 1  7  o 0.2968000      1.408000      87.01272      -88.2  
1 1 1 44 1  8  o -0.3016000     1.728000      51.42220      -130.4 
1 1 1 44 1  9  o 0.8251000      2.500000      240.3117      147.6  
1 1 1 44 1  10 o -0.1131000     4.023000      138.2530      35.8   
1 1 1 44 1  11 o -0.5135000     2.210000      103.8298      16.6   
1 1 1 44 1  12 o 2.181000       1.500000      ?             ?      
1 1 1 44 1  13 o 1.020000       1.431000      ?             ?      
1 1 1 44 1  14 o 1.713000       1.314000      ?             ?      
1 1 1 44 1  15 o 2.114000       1.227000      ?             ?      
1 1 1 44 1  16 o 1.739000       1.155000      ?             ?      
1 1 1 44 1  17 o 0.1427000      1.236000      ?             ?      
1 1 1 44 1  18 o 0.3431000      1.091000      ?             ?      
1 1 1 44 1  19 o 0.3142000      1.074000      ?             ?      
1 1 1 44 1  20 o 0.3286000      0.9860000     ?             ?      
1 1 1 44 1  21 o -0.3374000     0.9681000     ?             ?      
1 1 1 44 1  22 o 1.351000       0.9601000     ?             ?      
1 1 1 44 1  23 o -0.5031000     0.9356000     ?             ?      
1 1 1 44 1  24 o 0.7901000      0.9186000     ?             ?      
1 1 1 44 1  25 o 0.1764000      0.9221000     ?             ?      
1 1 1 44 1  26 o -0.1964000     0.9134000     ?             ?      
1 1 1 44 1  27 o 0.6918000      0.8972000     ?             ?      
1 1 1 44 1  28 o -1.466000      0.8786000     ?             ?      
1 1 1 44 1  29 o 0.7142000E-02  0.8873000     ?             ?      
1 1 1 44 1  30 o -1.347000      0.9359000     ?             ?      
1 1 1 44 1  31 o 1.000000       0.9698000     ?             ?      
1 1 1 44 1  32 o 0.9057000      0.9195000     ?             ?      
1 1 1 44 1  33 o 0.6731000E-02  0.9147000     ?             ?      
1 1 1 44 1  34 o 0.7215000      0.9152000     ?             ?      
1 1 1 44 1  35 o -1.308000      0.9327000     ?             ?      
1 1 1 44 1  36 o -0.1503000     0.9530000     ?             ?      
1 1 1 44 1  37 o -0.4006000E-01 0.9220000     ?             ?      
1 1 1 44 1  38 o 0.6788000      0.9277000     ?             ?      
1 1 1 44 1  39 o 0.4262000E-01  0.9328000     ?             ?      
1 1 1 44 1  40 o -1.218000      0.9119000     ?             ?      
1 1 1 44 1  41 o 0.4745000      0.9393000     ?             ?      
1 1 1 44 1  42 o -1.151000      1.280000      ?             ?      
1 1 1 44 1  43 o -0.3791000     1.283000      ?             ?      
1 1 1 44 1  44 o 0.3212000      1.524000      ?             ?      
1 1 1 44 1  45 o -1.830000      1.649000      ?             ?      
1 1 1 44 1  46 o -0.3772000     1.174000      ?             ?      
1 1 1 44 1  47 o -0.7308000     1.331000      ?             ?      
1 1 1 44 2  0  o 7.011000       1.809000      62.76497      0.0    
1 1 1 44 2  1  o -0.2210000     1.266000      29.80525      177.9  
1 1 1 44 2  2  o 2.796000       1.283000      279.4646      -96.4  
1 1 1 44 2  3  o -0.2394000     1.287000      172.3113      -130.1 
1 1 1 44 2  4  o 0.9952000      1.302000      79.08188      -50.7  
1 1 1 44 2  5  o -1.089000      1.253000      74.08132      164.8  
1 1 1 44 2  6  o 0.2952000E-01  1.247000      91.12759      -144.4 
1 1 1 44 2  7  o -1.577000      1.359000      128.8926      -52.4  
1 1 1 44 2  8  o 1.703000       2.527000      14.27578      -154.9 
1 1 1 44 2  9  o 0.6230000      2.519000      199.7966      -153.0 
1 1 1 44 2  10 o 0.5321000      2.406000      77.15058      5.4    
1 1 1 44 2  11 o 1.474000       1.590000      59.49300      -137.4 
1 1 1 44 2  12 o 1.023000       1.488000      ?             ?      
1 1 1 44 2  13 o 0.9236000      1.447000      ?             ?      
1 1 1 44 2  14 o 1.469000       1.324000      ?             ?      
1 1 1 44 2  15 o -0.4626000     1.262000      ?             ?      
1 1 1 44 2  16 o 0.9703000E-01  1.136000      ?             ?      
1 1 1 44 2  17 o 1.872000       1.159000      ?             ?      
1 1 1 44 2  18 o -0.4844000     1.092000      ?             ?      
1 1 1 44 2  19 o -0.9937000E-01 1.068000      ?             ?      
1 1 1 44 2  20 o 1.569000       0.9806000     ?             ?      
1 1 1 44 2  21 o -0.2880000E-01 0.9711000     ?             ?      
1 1 1 44 2  22 o -1.075000      0.9493000     ?             ?      
1 1 1 44 2  23 o -0.2521000     0.9405000     ?             ?      
1 1 1 44 2  24 o 1.032000       0.9267000     ?             ?      
1 1 1 44 2  25 o 1.669000       0.9197000     ?             ?      
1 1 1 44 2  26 o -0.4441000     0.9033000     ?             ?      
1 1 1 44 2  27 o 0.1189000      0.8938000     ?             ?      
1 1 1 44 2  28 o 1.155000       0.9414000     ?             ?      
1 1 1 44 2  29 o -0.7339000     0.9622000     ?             ?      
1 1 1 44 2  30 o -1.249000      0.9157000     ?             ?      
1 1 1 44 2  31 o -0.4248000E-01 0.9216000     ?             ?      
1 1 1 44 2  32 o 0.2129000      0.8913000     ?             ?      
1 1 1 44 2  33 o -0.5216000     0.8848000     ?             ?      
1 1 1 44 2  34 o 0.2079000E-01  0.8819000     ?             ?      
1 1 1 44 2  35 o -0.6163000     0.8942000     ?             ?      
1 1 1 44 2  36 o 0.8447000      0.8879000     ?             ?      
1 1 1 44 2  37 o -0.3407000     0.9028000     ?             ?      
1 1 1 44 2  38 o -0.3304000E-01 0.9480000     ?             ?      
1 1 1 44 2  39 o 0.6909000E-01  0.9257000     ?             ?      
1 1 1 44 2  40 o 1.051000       0.9579000     ?             ?      
1 1 1 44 2  41 o -0.1866000     0.9794000     ?             ?      
1 1 1 44 2  42 o -0.7315000E-01 1.108000      ?             ?      
1 1 1 44 2  43 o -1.707000      1.402000      ?             ?      
1 1 1 44 2  44 o 1.690000       1.553000      ?             ?      
1 1 1 44 2  45 o -1.760000      1.178000      ?             ?      
1 1 1 44 2  46 o 1.907000       1.412000      ?             ?      
1 1 1 44 2  47 o 0.9746000      1.395000      ?             ?      
1 1 1 44 3  0  o 0.4302000      1.773000      152.8455      0.0    
1 1 1 44 3  1  o 2.236000       1.291000      222.9848      -34.9  
1 1 1 44 3  2  o 0.9197000      1.284000      28.56904      8.8    
1 1 1 44 3  3  o 0.7573000      1.281000      108.5672      14.8   
1 1 1 44 3  4  o 1.885000       1.263000      73.22318      -177.3 
1 1 1 44 3  5  o -0.4745000     1.235000      88.69250      -74.7  
1 1 1 44 3  6  o -1.020000      1.507000      72.51139      -146.8 
1 1 1 44 3  7  o -0.5421000E-01 1.765000      60.65628      -105.6 
1 1 1 44 3  8  o -2.527000      2.490000      76.50731      25.6   
1 1 1 44 3  9  o -1.924000      2.496000      50.75842      150.2  
1 1 1 44 3  10 o 4.434000       1.970000      301.6816      -43.3  
1 1 1 44 3  11 o 0.8426000      1.552000      ?             ?      
1 1 1 44 3  12 o 0.4500000      1.326000      ?             ?      
1 1 1 44 3  13 o 1.072000       1.440000      ?             ?      
1 1 1 44 3  14 o -0.3737000     1.440000      ?             ?      
1 1 1 44 3  15 o 0.6888000      1.262000      ?             ?      
1 1 1 44 3  16 o -2.334000      1.134000      ?             ?      
1 1 1 44 3  17 o -0.2420000     1.086000      ?             ?      
1 1 1 44 3  18 o 1.611000       1.134000      ?             ?      
1 1 1 44 3  19 o -0.7369000     1.059000      ?             ?      
1 1 1 44 3  20 o -0.7196000     1.047000      ?             ?      
1 1 1 44 3  21 o -0.9360000     0.9679000     ?             ?      
1 1 1 44 3  22 o -1.700000      0.9546000     ?             ?      
1 1 1 44 3  23 o 0.7788000      0.9357000     ?             ?      
1 1 1 44 3  24 o -0.5363000     0.9226000     ?             ?      
1 1 1 44 3  25 o -1.485000      0.9846000     ?             ?      
1 1 1 44 3  26 o 0.9931000      0.9770000     ?             ?      
1 1 1 44 3  27 o -1.092000      0.9233000     ?             ?      
1 1 1 44 3  28 o -0.2177000     0.9233000     ?             ?      
1 1 1 44 3  29 o 0.9195000      0.9185000     ?             ?      
1 1 1 44 3  30 o 1.517000       0.8951000     ?             ?      
1 1 1 44 3  31 o 0.9284000      0.8874000     ?             ?      
1 1 1 44 3  32 o 0.7498000      0.8887000     ?             ?      
1 1 1 44 3  33 o 0.6014000      0.8872000     ?             ?      
1 1 1 44 3  34 o -0.7662000     0.8848000     ?             ?      
1 1 1 44 3  35 o 0.4335000      0.8857000     ?             ?      
1 1 1 44 3  36 o -0.9866000     0.8927000     ?             ?      
1 1 1 44 3  37 o 0.4483000E-02  0.8995000     ?             ?      
1 1 1 44 3  38 o 0.1544000      0.9051000     ?             ?      
1 1 1 44 3  39 o 0.7367000      0.9223000     ?             ?      
1 1 1 44 3  40 o -0.5211000     0.9647000     ?             ?      
1 1 1 44 3  41 o -0.5793000     1.248000      ?             ?      
1 1 1 44 3  42 o -0.7281000     1.273000      ?             ?      
1 1 1 44 3  43 o 0.6847000      1.580000      ?             ?      
1 1 1 44 3  44 o 0.1780000      1.526000      ?             ?      
1 1 1 44 3  45 o -0.2797000     1.139000      ?             ?      
1 1 1 44 3  46 o 0.7859000      1.216000      ?             ?      
1 1 1 44 3  47 o 0.8187000      1.201000      ?             ?      
1 1 1 44 4  0  o -1.648000      1.763000      33.98228      -0.0   
1 1 1 44 4  1  o 0.9289000      1.254000      154.9205      113.6  
1 1 1 44 4  2  o 0.4172000      1.201000      88.70519      -97.9  
1 1 1 44 4  3  o -0.1108000     1.214000      174.5303      -136.7 
1 1 1 44 4  4  o -1.282000      1.223000      81.56063      21.8   
1 1 1 44 4  5  o -1.387000      1.452000      40.28785      -152.5 
1 1 1 44 4  6  o -0.5776000     1.520000      144.9339      -26.7  
1 1 1 44 4  7  o -2.587000      1.779000      57.87968      -43.0  
1 1 1 44 4  8  o -3.681000      2.524000      140.5607      101.9  
1 1 1 44 4  9  o -0.2782000     1.889000      79.07051      166.9  
1 1 1 44 4  10 o 0.3002000      1.843000      54.50793      -108.5 
1 1 1 44 4  11 o -0.8649000E-01 1.490000      ?             ?      
1 1 1 44 4  12 o 0.8964000E-01  1.291000      ?             ?      
1 1 1 44 4  13 o -1.820000      1.291000      ?             ?      
1 1 1 44 4  14 o -0.5387000     1.447000      ?             ?      
1 1 1 44 4  15 o 0.1766000E-01  1.305000      ?             ?      
1 1 1 44 4  16 o 0.7622000      1.088000      ?             ?      
1 1 1 44 4  17 o 1.246000       1.081000      ?             ?      
1 1 1 44 4  18 o -1.594000      1.070000      ?             ?      
1 1 1 44 4  19 o -2.254000      1.099000      ?             ?      
1 1 1 44 4  20 o 0.4124000      1.057000      ?             ?      
1 1 1 44 4  21 o 1.209000       0.9690000     ?             ?      
1 1 1 44 4  22 o -0.1763000     0.9551000     ?             ?      
1 1 1 44 4  23 o 0.9098000      1.011000      ?             ?      
1 1 1 44 4  24 o -0.8867000     1.013000      ?             ?      
1 1 1 44 4  25 o -1.123000      0.9525000     ?             ?      
1 1 1 44 4  26 o 0.2735000      0.9331000     ?             ?      
1 1 1 44 4  27 o -0.1947000     0.9012000     ?             ?      
1 1 1 44 4  28 o 0.2638000      0.8968000     ?             ?      
1 1 1 44 4  29 o -0.8946000     0.8845000     ?             ?      
1 1 1 44 4  30 o -1.122000      0.8853000     ?             ?      
1 1 1 44 4  31 o 0.2665000      0.8883000     ?             ?      
1 1 1 44 4  32 o 0.6335000      0.8863000     ?             ?      
1 1 1 44 4  33 o 1.197000       0.8839000     ?             ?      
1 1 1 44 4  34 o -0.2037000     0.8840000     ?             ?      
1 1 1 44 4  35 o -1.374000      0.8777000     ?             ?      
1 1 1 44 4  36 o 0.7384000      0.8972000     ?             ?      
1 1 1 44 4  37 o 1.126000       0.9064000     ?             ?      
1 1 1 44 4  38 o -1.559000      0.9108000     ?             ?      
1 1 1 44 4  39 o -0.9466000E-01 0.9669000     ?             ?      
1 1 1 44 4  40 o -0.2875000     0.9727000     ?             ?      
1 1 1 44 4  41 o -0.9154000     1.261000      ?             ?      
1 1 1 44 4  42 o -0.8858000     1.395000      ?             ?      
1 1 1 44 4  43 o 2.238000       1.761000      ?             ?      
1 1 1 44 4  44 o 2.018000       1.773000      ?             ?      
1 1 1 44 4  45 o -1.227000      1.472000      ?             ?      
1 1 1 44 4  46 o -1.496000      1.148000      ?             ?      
1 1 1 44 4  47 o 0.5268000      2.154000      ?             ?      
1 1 1 44 5  0  o -0.6059000     1.711000      48.12595      -180.0 
1 1 1 44 5  1  o 0.5944000      1.205000      119.6433      -31.7  
1 1 1 44 5  2  o -2.281000      1.405000      50.43547      -98.2  
1 1 1 44 5  3  o 1.084000       1.429000      72.57281      -0.9   
1 1 1 44 5  4  o -2.787000      1.424000      71.56204      3.0    
1 1 1 44 5  5  o -1.381000      1.491000      27.60763      -91.9  
1 1 1 44 5  6  f 1.215000       1.774000      65.75645      142.2  
1 1 1 44 5  7  o -0.7222000     1.794000      46.17493      102.3  
1 1 1 44 5  8  o -1.742000      2.530000      102.1862      -16.0  
1 1 1 44 5  9  o 1.521000       1.826000      92.83858      -106.3 
1 1 1 44 5  10 o -2.448000      1.772000      ?             ?      
1 1 1 44 5  11 f -0.5292000     1.444000      ?             ?      
1 1 1 44 5  12 o 0.8121000      1.270000      ?             ?      
1 1 1 44 5  13 o 0.7075000      1.220000      ?             ?      
1 1 1 44 5  14 o -1.361000      1.323000      ?             ?      
1 1 1 44 5  15 o 0.5991000      1.186000      ?             ?      
1 1 1 44 5  16 o -0.3178000     1.103000      ?             ?      
1 1 1 44 5  17 o 0.8242000      1.071000      ?             ?      
1 1 1 44 5  18 o -1.218000      1.047000      ?             ?      
1 1 1 44 5  19 o -1.234000      1.099000      ?             ?      
1 1 1 44 5  20 f 0.6183000      1.084000      ?             ?      
1 1 1 44 5  21 o 0.4360000      1.043000      ?             ?      
1 1 1 44 5  22 o -1.345000      0.9978000     ?             ?      
1 1 1 44 5  23 o 0.2479000      0.9764000     ?             ?      
1 1 1 44 5  24 o -0.2380000     0.9523000     ?             ?      
1 1 1 44 5  25 o 0.1665000      0.9166000     ?             ?      
1 1 1 44 5  26 o -1.106000      0.9042000     ?             ?      
1 1 1 44 5  27 o -0.1053000     0.8929000     ?             ?      
1 1 1 44 5  28 o 1.464000       0.8957000     ?             ?      
1 1 1 44 5  29 o -0.6251000     0.8870000     ?             ?      
1 1 1 44 5  30 o 0.1566000      0.8867000     ?             ?      
1 1 1 44 5  31 o -1.521000      0.8873000     ?             ?      
1 1 1 44 5  32 o -0.1933000     0.8812000     ?             ?      
1 1 1 44 5  33 o -1.162000      0.8832000     ?             ?      
1 1 1 44 5  34 o 0.9847000      0.8890000     ?             ?      
1 1 1 44 5  35 o 0.8238000      0.8958000     ?             ?      
1 1 1 44 5  36 o -0.4098000     0.8977000     ?             ?      
1 1 1 44 5  37 o 0.4835000      0.9465000     ?             ?      
1 1 1 44 5  38 o -0.1882000     0.9717000     ?             ?      
1 1 1 44 5  39 o 0.1929000      1.112000      ?             ?      
1 1 1 44 5  40 o 0.5123000      0.9486000     ?             ?      
1 1 1 44 5  41 o -0.4985000E-01 1.082000      ?             ?      
1 1 1 44 5  42 o -1.347000      1.148000      ?             ?      
1 1 1 44 5  43 o 0.7653000      1.052000      ?             ?      
1 1 1 44 5  44 o 2.218000       1.795000      ?             ?      
1 1 1 44 5  45 o -2.107000      1.272000      ?             ?      
1 1 1 44 5  46 o 0.3306000      1.136000      ?             ?      
1 1 1 44 5  47 o 0.7359000      2.514000      ?             ?      
1 1 1 44 6  0  o 0.6639000E-01  2.247000      92.34546      -0.0   
1 1 1 44 6  1  o -2.724000      1.559000      49.85477      93.8   
1 1 1 44 6  2  o -0.8536000     1.557000      57.98887      112.4  
1 1 1 44 6  3  o -0.4346000     1.631000      51.17814      -40.0  
1 1 1 44 6  4  o -0.2184000     2.322000      94.79533      26.0   
1 1 1 44 6  5  o 1.473000       1.751000      88.69215      137.3  
1 1 1 44 6  6  o -2.867000      1.733000      58.56239      -60.2  
1 1 1 44 6  7  o -2.050000      1.765000      10.27945      170.3  
1 1 1 44 6  8  o -2.278000      1.777000      45.49183      10.0   
1 1 1 44 6  9  o 0.4142000      1.788000      ?             ?      
1 1 1 44 6  10 o -1.612000      1.456000      ?             ?      
1 1 1 44 6  11 o -0.2049000     1.407000      ?             ?      
1 1 1 44 6  12 o -0.2922000     1.184000      ?             ?      
1 1 1 44 6  13 o 1.210000       1.343000      ?             ?      
1 1 1 44 6  14 o 1.286000       1.142000      ?             ?      
1 1 1 44 6  15 o -1.176000      1.169000      ?             ?      
1 1 1 44 6  16 o 0.4302000      1.108000      ?             ?      
1 1 1 44 6  17 o -1.500000      1.060000      ?             ?      
1 1 1 44 6  18 o -0.5207000     1.048000      ?             ?      
1 1 1 44 6  19 o 0.4888000      1.053000      ?             ?      
1 1 1 44 6  20 o -1.380000      1.091000      ?             ?      
1 1 1 44 6  21 o 1.318000       1.076000      ?             ?      
1 1 1 44 6  22 o 1.651000       1.041000      ?             ?      
1 1 1 44 6  23 o -0.8078000     0.9484000     ?             ?      
1 1 1 44 6  24 o -0.8040000     0.9339000     ?             ?      
1 1 1 44 6  25 o 0.4069000      0.9127000     ?             ?      
1 1 1 44 6  26 o -0.7311000     0.9052000     ?             ?      
1 1 1 44 6  27 o -0.5334000     0.8888000     ?             ?      
1 1 1 44 6  28 o -0.4085000     0.8940000     ?             ?      
1 1 1 44 6  29 o -0.5924000E-01 0.8931000     ?             ?      
1 1 1 44 6  30 o -0.1082000     0.8854000     ?             ?      
1 1 1 44 6  31 o 0.3079000      0.8892000     ?             ?      
1 1 1 44 6  32 o -0.2603000E-02 0.8850000     ?             ?      
1 1 1 44 6  33 o -1.322000      0.8714000     ?             ?      
1 1 1 44 6  34 o 0.6529000      0.9256000     ?             ?      
1 1 1 44 6  35 o 0.3921000      0.9426000     ?             ?      
1 1 1 44 6  36 o 0.9515000      1.077000      ?             ?      
1 1 1 44 6  37 o 0.7009000      1.094000      ?             ?      
1 1 1 44 6  38 o 0.6919000      0.9207000     ?             ?      
1 1 1 44 6  39 o 0.4496000      0.9201000     ?             ?      
1 1 1 44 6  40 o -0.2251000     1.079000      ?             ?      
1 1 1 44 6  41 o -0.4109000     1.087000      ?             ?      
1 1 1 44 6  42 o -1.072000      1.018000      ?             ?      
1 1 1 44 6  43 o -0.9831000     1.078000      ?             ?      
1 1 1 44 6  44 o -0.6895000     1.274000      ?             ?      
1 1 1 44 6  45 o -0.8679000     1.199000      ?             ?      
1 1 1 44 6  46 o -0.4022000     1.115000      ?             ?      
1 1 1 44 7  0  o -1.108000      2.246000      76.39767      -180.0 
1 1 1 44 7  1  f -0.9243000     1.575000      25.59675      55.3   
1 1 1 44 7  2  o -2.093000      1.583000      67.99876      158.0  
1 1 1 44 7  3  o -1.604000      1.562000      35.53366      91.8   
1 1 1 44 7  4  o -0.3916000     1.683000      38.94836      16.1   
1 1 1 44 7  5  o 2.779000       1.740000      35.06775      -70.1  
1 1 1 44 7  6  o 1.204000       1.735000      37.91355      24.9   
1 1 1 44 7  7  o -1.463000      1.500000      88.96033      46.1   
1 1 1 44 7  8  o 0.5490000      1.768000      ?             ?      
1 1 1 44 7  9  o -2.679000      1.740000      ?             ?      
1 1 1 44 7  10 o -0.7806000     1.418000      ?             ?      
1 1 1 44 7  11 o -0.4981000     1.178000      ?             ?      
1 1 1 44 7  12 o -0.2937000     1.196000      ?             ?      
1 1 1 44 7  13 o 0.1588000      1.319000      ?             ?      
1 1 1 44 7  14 o -0.3501000     1.127000      ?             ?      
1 1 1 44 7  15 o 0.8510000      1.119000      ?             ?      
1 1 1 44 7  16 o -0.4320000     1.100000      ?             ?      
1 1 1 44 7  17 o -1.549000      1.069000      ?             ?      
1 1 1 44 7  18 o -0.2630000     1.075000      ?             ?      
1 1 1 44 7  19 o -1.846000      1.064000      ?             ?      
1 1 1 44 7  20 o 1.234000       1.045000      ?             ?      
1 1 1 44 7  21 o -0.3139000     1.073000      ?             ?      
1 1 1 44 7  22 o 0.2985000      1.032000      ?             ?      
1 1 1 44 7  23 o -0.6454000     0.9620000     ?             ?      
1 1 1 44 7  24 o 0.3498000      0.9292000     ?             ?      
1 1 1 44 7  25 o -0.9845000     0.9141000     ?             ?      
1 1 1 44 7  26 o 0.1769000      0.8995000     ?             ?      
1 1 1 44 7  27 o -0.1074000     0.8933000     ?             ?      
1 1 1 44 7  28 o 0.8695000E-01  0.8897000     ?             ?      
1 1 1 44 7  29 o -0.7280000     0.8857000     ?             ?      
1 1 1 44 7  30 o -0.4762000     0.8769000     ?             ?      
1 1 1 44 7  31 o -0.5605000     0.8833000     ?             ?      
1 1 1 44 7  32 o 0.1986000      0.9233000     ?             ?      
1 1 1 44 7  33 o -1.116000      0.9211000     ?             ?      
1 1 1 44 7  34 o 0.6059000      1.041000      ?             ?      
1 1 1 44 7  35 o 0.4874000      1.060000      ?             ?      
1 1 1 44 7  36 o -0.3328000     0.8968000     ?             ?      
1 1 1 44 7  37 o -0.5574000     0.9054000     ?             ?      
1 1 1 44 7  38 o 0.9348000      0.9219000     ?             ?      
1 1 1 44 7  39 o 0.9774000      0.9309000     ?             ?      
1 1 1 44 7  40 o -0.5211000     1.079000      ?             ?      
1 1 1 44 7  41 o -1.273000      1.116000      ?             ?      
1 1 1 44 7  42 o 2.511000       1.080000      ?             ?      
1 1 1 44 7  43 o 0.2098000      1.611000      ?             ?      
1 1 1 44 7  44 o -0.1262000     1.253000      ?             ?      
1 1 1 44 7  45 o -1.323000      1.196000      ?             ?      
1 1 1 44 7  46 o 0.1338000E-01  1.323000      ?             ?      
1 1 1 44 8  0  o -4.697000      2.220000      26.07862      0.0    
1 1 1 44 8  1  o -2.345000      1.462000      29.40035      -168.0 
1 1 1 44 8  2  o 0.7756000E-01  1.583000      40.28955      108.7  
1 1 1 44 8  3  o 0.6535000      1.575000      84.17426      -52.9  
1 1 1 44 8  4  o -1.515000      1.559000      33.95263      45.0   
1 1 1 44 8  5  o -1.155000      1.578000      108.5072      106.3  
1 1 1 44 8  6  o 0.9868000E-01  1.458000      29.78164      124.7  
1 1 1 44 8  7  o 0.9408000      1.508000      ?             ?      
1 1 1 44 8  8  o 0.7085000      1.752000      ?             ?      
1 1 1 44 8  9  o -1.922000      1.735000      ?             ?      
1 1 1 44 8  10 o -2.074000      1.306000      ?             ?      
1 1 1 44 8  11 o -1.112000      1.158000      ?             ?      
1 1 1 44 8  12 o -1.740000      1.322000      ?             ?      
1 1 1 44 8  13 o -1.789000      1.252000      ?             ?      
1 1 1 44 8  14 o 0.1262000      1.186000      ?             ?      
1 1 1 44 8  15 o -0.9138000     1.175000      ?             ?      
1 1 1 44 8  16 o -1.110000      1.060000      ?             ?      
1 1 1 44 8  17 o -1.165000      1.084000      ?             ?      
1 1 1 44 8  18 o 0.1768000E-01  1.077000      ?             ?      
1 1 1 44 8  19 o 0.3233000      1.051000      ?             ?      
1 1 1 44 8  20 o 0.2953000E-01  1.038000      ?             ?      
1 1 1 44 8  21 o 0.5330000      1.081000      ?             ?      
1 1 1 44 8  22 o -0.5329000     1.071000      ?             ?      
1 1 1 44 8  23 o 0.8238000      1.017000      ?             ?      
1 1 1 44 8  24 o 1.680000       0.9291000     ?             ?      
1 1 1 44 8  25 o -0.1983000     0.9153000     ?             ?      
1 1 1 44 8  26 o -0.2668000     0.8992000     ?             ?      
1 1 1 44 8  27 o -0.1655000     0.8953000     ?             ?      
1 1 1 44 8  28 o -0.1854000     0.8852000     ?             ?      
1 1 1 44 8  29 o -0.2111000     0.9238000     ?             ?      
1 1 1 44 8  30 o 0.5558000      0.9264000     ?             ?      
1 1 1 44 8  31 o -0.4129000     0.8976000     ?             ?      
1 1 1 44 8  32 o 0.9401000      1.027000      ?             ?      
1 1 1 44 8  33 o -0.8717000     0.8853000     ?             ?      
1 1 1 44 8  34 o -1.146000      0.8844000     ?             ?      
1 1 1 44 8  35 o -0.5764000     0.8973000     ?             ?      
1 1 1 44 8  36 o -1.455000      0.9001000     ?             ?      
1 1 1 44 8  37 o 0.8500000      0.9131000     ?             ?      
1 1 1 44 8  38 o -1.115000      0.9150000     ?             ?      
1 1 1 44 8  39 o -0.3856000     1.065000      ?             ?      
1 1 1 44 8  40 o -0.3706000     1.076000      ?             ?      
1 1 1 44 8  41 o 1.868000       1.152000      ?             ?      
1 1 1 44 8  42 o 0.1747000      1.056000      ?             ?      
1 1 1 44 8  43 f -0.1742000     1.128000      ?             ?      
1 1 1 44 8  44 o 2.050000       1.182000      ?             ?      
1 1 1 44 8  45 o -0.2949000     1.217000      ?             ?      
1 1 1 44 8  46 o -0.9085000E-01 1.334000      ?             ?      
1 1 1 44 9  0  o 0.1464000      2.231000      59.68206      180.0  
1 1 1 44 9  1  o -0.3981000     1.454000      10.69461      90.5   
1 1 1 44 9  2  o -1.727000      1.471000      38.60472      128.9  
1 1 1 44 9  3  o 0.8238000      1.539000      13.79826      -40.5  
1 1 1 44 9  4  o 0.9304000      1.547000      24.44575      6.4    
1 1 1 44 9  5  o -2.513000      1.444000      ?             ?      
1 1 1 44 9  6  o -0.7552000     1.447000      ?             ?      
1 1 1 44 9  7  o 1.399000       1.688000      ?             ?      
1 1 1 44 9  8  o -0.4026000     1.675000      ?             ?      
1 1 1 44 9  9  o -0.5120000     1.451000      ?             ?      
1 1 1 44 9  10 o -2.098000      1.288000      ?             ?      
1 1 1 44 9  11 o -1.216000      1.345000      ?             ?      
1 1 1 44 9  12 o -0.3228000     1.349000      ?             ?      
1 1 1 44 9  13 o -0.4791000     1.252000      ?             ?      
1 1 1 44 9  14 o -0.1192000     1.114000      ?             ?      
1 1 1 44 9  15 o -0.9777000     1.109000      ?             ?      
1 1 1 44 9  16 o -1.119000      1.059000      ?             ?      
1 1 1 44 9  17 o -1.051000      1.062000      ?             ?      
1 1 1 44 9  18 o -2.275000      1.073000      ?             ?      
1 1 1 44 9  19 o 0.3349000      1.049000      ?             ?      
1 1 1 44 9  20 o -0.4948000     1.037000      ?             ?      
1 1 1 44 9  21 o -1.242000      1.034000      ?             ?      
1 1 1 44 9  22 o 0.5120000      1.086000      ?             ?      
1 1 1 44 9  23 o -0.1339000     1.018000      ?             ?      
1 1 1 44 9  24 o 1.936000       1.087000      ?             ?      
1 1 1 44 9  25 o 0.5497000      0.9215000     ?             ?      
1 1 1 44 9  26 o 0.6233000      0.9168000     ?             ?      
1 1 1 44 9  27 o -0.3368000     0.9352000     ?             ?      
1 1 1 44 9  28 o 0.7002000      0.9283000     ?             ?      
1 1 1 44 9  29 o 0.3805000      1.039000      ?             ?      
1 1 1 44 9  30 o -1.407000      1.033000      ?             ?      
1 1 1 44 9  31 o -0.9963000     0.8791000     ?             ?      
1 1 1 44 9  32 o -0.1045000     0.8798000     ?             ?      
1 1 1 44 9  33 o 0.1325000      0.8866000     ?             ?      
1 1 1 44 9  34 o 1.295000       0.8921000     ?             ?      
1 1 1 44 9  35 o -0.3775000E-01 0.8905000     ?             ?      
1 1 1 44 9  36 o -1.418000      0.8921000     ?             ?      
1 1 1 44 9  37 o 0.1069000      0.9033000     ?             ?      
1 1 1 44 9  38 o -0.7526000     0.9195000     ?             ?      
1 1 1 44 9  39 o 0.1082000E-02  1.059000      ?             ?      
1 1 1 44 9  40 o -0.7238000     1.098000      ?             ?      
1 1 1 44 9  41 o -0.3679000     1.052000      ?             ?      
1 1 1 44 9  42 o 1.008000       1.060000      ?             ?      
1 1 1 44 9  43 o -0.5762000     1.020000      ?             ?      
1 1 1 44 9  44 o 0.4628000      1.262000      ?             ?      
1 1 1 44 9  45 o -0.3175000     1.229000      ?             ?      
1 1 1 44 9  46 o -0.7685000     1.269000      ?             ?      
1 1 1 44 10 0  o -3.670000      2.224000      ?             ?      
1 1 1 44 10 1  o 0.6699000E-01  1.443000      ?             ?      
1 1 1 44 10 2  o -0.5531000     1.457000      ?             ?      
1 1 1 44 10 3  o -0.6324000     1.408000      ?             ?      
1 1 1 44 10 4  o -0.9309000     1.389000      ?             ?      
1 1 1 44 10 5  o -0.6529000E-01 1.403000      ?             ?      
1 1 1 44 10 6  o -2.226000      1.441000      ?             ?      
1 1 1 44 10 7  o 2.093000       1.694000      ?             ?      
1 1 1 44 10 8  o 0.7031000      1.695000      ?             ?      
1 1 1 44 10 9  o 1.252000       1.493000      ?             ?      
1 1 1 44 10 10 o -2.123000      1.868000      ?             ?      
1 1 1 44 10 11 o 0.4875000      1.323000      ?             ?      
1 1 1 44 10 12 o -0.7694000     1.259000      ?             ?      
1 1 1 44 10 13 o 0.6925000      1.122000      ?             ?      
1 1 1 44 10 14 o 0.3548000      1.119000      ?             ?      
1 1 1 44 10 15 o 0.5030000      1.108000      ?             ?      
1 1 1 44 10 16 o 0.9173000      1.060000      ?             ?      
1 1 1 44 10 17 o -0.5920000E-01 1.060000      ?             ?      
1 1 1 44 10 18 o 0.4864000      1.058000      ?             ?      
1 1 1 44 10 19 o 0.1313000      1.074000      ?             ?      
1 1 1 44 10 20 o 0.6271000      1.050000      ?             ?      
1 1 1 44 10 21 o -0.9000000     1.030000      ?             ?      
1 1 1 44 10 22 o 0.2854000      1.035000      ?             ?      
1 1 1 44 10 23 o -0.3154000     1.051000      ?             ?      
1 1 1 44 10 24 o 0.1464000      1.058000      ?             ?      
1 1 1 44 10 25 o 0.6327000E-01  0.9668000     ?             ?      
1 1 1 44 10 26 o -0.3942000     0.9182000     ?             ?      
1 1 1 44 10 27 o -0.2618000     1.028000      ?             ?      
1 1 1 44 10 28 f -0.7107000     0.9065000     ?             ?      
1 1 1 44 10 29 o 0.2811000      0.8938000     ?             ?      
1 1 1 44 10 30 o -1.099000      0.8898000     ?             ?      
1 1 1 44 10 31 o -0.5895000     0.8817000     ?             ?      
1 1 1 44 10 32 o -0.9915000E-01 0.8819000     ?             ?      
1 1 1 44 10 33 o -1.192000      0.8779000     ?             ?      
1 1 1 44 10 34 o 0.1886000      0.8845000     ?             ?      
1 1 1 44 10 35 o -0.6918000     0.8875000     ?             ?      
1 1 1 44 10 36 o -1.689000      0.8985000     ?             ?      
1 1 1 44 10 37 o -1.662000      0.9055000     ?             ?      
1 1 1 44 10 38 o -0.4487000E-01 0.9230000     ?             ?      
1 1 1 44 10 39 o -3.006000      1.074000      ?             ?      
1 1 1 44 10 40 o 1.480000       1.119000      ?             ?      
1 1 1 44 10 41 o 1.965000       1.061000      ?             ?      
1 1 1 44 10 42 o -0.1732000     1.056000      ?             ?      
1 1 1 44 10 43 o -0.4130000     1.006000      ?             ?      
1 1 1 44 10 44 o 0.2436000      1.008000      ?             ?      
1 1 1 44 10 45 o -0.5999000     1.239000      ?             ?      
1 1 1 44 10 46 o -0.2233000     3.260000      ?             ?      
1 1 1 44 11 0  o 3.867000       2.254000      ?             ?      
1 1 1 44 11 1  o 1.015000       1.471000      ?             ?      
1 1 1 44 11 2  o -0.2233000     1.381000      ?             ?      
1 1 1 44 11 3  o 0.4883000      1.388000      ?             ?      
1 1 1 44 11 4  o 1.228000       1.392000      ?             ?      
1 1 1 44 11 5  o -0.3339000E-01 1.383000      ?             ?      
1 1 1 44 11 6  o -0.2654000E-01 1.915000      ?             ?      
1 1 1 44 11 7  o -0.4710000     1.886000      ?             ?      
1 1 1 44 11 8  o -0.9052000     1.493000      ?             ?      
1 1 1 44 11 9  o -0.9872000     1.309000      ?             ?      
1 1 1 44 11 10 o 1.257000       1.145000      ?             ?      
1 1 1 44 11 11 o -0.6119000     1.280000      ?             ?      
1 1 1 44 11 12 o 0.6898000      1.266000      ?             ?      
1 1 1 44 11 13 o -0.2860000     1.133000      ?             ?      
1 1 1 44 11 14 o -0.9011000     1.126000      ?             ?      
1 1 1 44 11 15 o -0.1416000     1.119000      ?             ?      
1 1 1 44 11 16 f 0.1559000E-01  1.072000      ?             ?      
1 1 1 44 11 17 o 0.1962000      1.064000      ?             ?      
1 1 1 44 11 18 o -1.259000      1.054000      ?             ?      
1 1 1 44 11 19 o -1.271000      1.064000      ?             ?      
1 1 1 44 11 20 o -0.9218000     1.114000      ?             ?      
1 1 1 44 11 21 o -1.544000      1.089000      ?             ?      
1 1 1 44 11 22 o 0.2679000      1.054000      ?             ?      
1 1 1 44 11 23 o -0.6627000     1.059000      ?             ?      
1 1 1 44 11 24 o -1.093000      1.218000      ?             ?      
1 1 1 44 11 25 o -0.4407000     1.192000      ?             ?      
1 1 1 44 11 26 o -1.477000      0.9254000     ?             ?      
1 1 1 44 11 27 o 0.3451000E-01  0.9142000     ?             ?      
1 1 1 44 11 28 o -0.6796000E-01 0.9085000     ?             ?      
1 1 1 44 11 29 o -0.4464000     0.8987000     ?             ?      
1 1 1 44 11 30 o -2.198000      0.8795000     ?             ?      
1 1 1 44 11 31 o 0.3780000      0.8882000     ?             ?      
1 1 1 44 11 32 o -0.7729000     0.8799000     ?             ?      
1 1 1 44 11 33 o -0.1235000     0.8850000     ?             ?      
1 1 1 44 11 34 o 0.4972000E-02  0.8875000     ?             ?      
1 1 1 44 11 35 o -1.167000      0.8861000     ?             ?      
1 1 1 44 11 36 o -0.8094000     0.9040000     ?             ?      
1 1 1 44 11 37 o -0.4991000     0.9035000     ?             ?      
1 1 1 44 11 38 o 1.013000       1.072000      ?             ?      
1 1 1 44 11 39 o -1.173000      1.109000      ?             ?      
1 1 1 44 11 40 o 1.421000       1.655000      ?             ?      
1 1 1 44 11 41 o 0.1129000      1.047000      ?             ?      
1 1 1 44 11 42 o 0.3540000      1.018000      ?             ?      
1 1 1 44 11 43 o 0.9260000      0.9821000     ?             ?      
1 1 1 44 11 44 o -1.035000      0.9916000     ?             ?      
1 1 1 44 11 45 o 0.6017000      1.259000      ?             ?      
1 1 1 44 12 0  o -1.216000      1.904000      ?             ?      
1 1 1 44 12 1  o -1.409000      1.297000      ?             ?      
1 1 1 44 12 2  o -1.403000      1.374000      ?             ?      
1 1 1 44 12 3  o 0.4358000      1.363000      ?             ?      
1 1 1 44 12 4  o -2.365000      1.832000      ?             ?      
1 1 1 44 12 5  o 1.247000       2.022000      ?             ?      
1 1 1 44 12 6  o 3.301000       1.600000      ?             ?      
1 1 1 44 12 7  o -0.4017000     1.620000      ?             ?      
1 1 1 44 12 8  o 0.5665000      1.291000      ?             ?      
1 1 1 44 12 9  o 0.3842000      1.102000      ?             ?      
1 1 1 44 12 10 o 0.1848000      1.293000      ?             ?      
1 1 1 44 12 11 o -0.2462000     1.263000      ?             ?      
1 1 1 44 12 12 o 1.628000       1.269000      ?             ?      
1 1 1 44 12 13 o 1.607000       1.147000      ?             ?      
1 1 1 44 12 14 o -0.9796000     1.189000      ?             ?      
1 1 1 44 12 15 o -1.011000      1.116000      ?             ?      
1 1 1 44 12 16 o -0.2338000     1.081000      ?             ?      
1 1 1 44 12 17 o -1.410000      1.078000      ?             ?      
1 1 1 44 12 18 o -1.007000      1.101000      ?             ?      
1 1 1 44 12 19 o -0.2581000     1.146000      ?             ?      
1 1 1 44 12 20 o -0.9408000     1.114000      ?             ?      
1 1 1 44 12 21 o -0.6875000     1.035000      ?             ?      
1 1 1 44 12 22 o 0.9894000      1.178000      ?             ?      
1 1 1 44 12 23 o 1.002000       1.185000      ?             ?      
1 1 1 44 12 24 o 0.1881000      1.057000      ?             ?      
1 1 1 44 12 25 o 0.6148000      1.017000      ?             ?      
1 1 1 44 12 26 o -0.4607000     0.9236000     ?             ?      
1 1 1 44 12 27 o -1.171000      0.9180000     ?             ?      
1 1 1 44 12 28 o 0.8510000      0.9123000     ?             ?      
1 1 1 44 12 29 o -0.7841000     0.9038000     ?             ?      
1 1 1 44 12 30 o -0.5131000     0.8979000     ?             ?      
1 1 1 44 12 31 o 0.3468000      0.8958000     ?             ?      
1 1 1 44 12 32 o 1.370000       0.8876000     ?             ?      
1 1 1 44 12 33 o -1.056000      0.8868000     ?             ?      
1 1 1 44 12 34 o 0.4149000      0.8869000     ?             ?      
1 1 1 44 12 35 o -0.1887000     0.8991000     ?             ?      
1 1 1 44 12 36 o -0.1139000     0.9095000     ?             ?      
1 1 1 44 12 37 o -0.7635000     0.9169000     ?             ?      
1 1 1 44 12 38 o -0.1855000     1.099000      ?             ?      
1 1 1 44 12 39 o 0.4222000      1.111000      ?             ?      
1 1 1 44 12 40 o -0.4732000     1.048000      ?             ?      
1 1 1 44 12 41 o -1.339000      1.047000      ?             ?      
1 1 1 44 12 42 o 0.7819000      0.9957000     ?             ?      
1 1 1 44 12 43 o 0.3480000      0.9696000     ?             ?      
1 1 1 44 12 44 o -0.7431000     0.9867000     ?             ?      
1 1 1 44 12 45 o 1.885000       1.277000      ?             ?      
1 1 1 44 13 0  o -0.2321000     1.908000      ?             ?      
1 1 1 44 13 1  o -2.615000      1.476000      ?             ?      
1 1 1 44 13 2  o 1.382000       1.895000      ?             ?      
1 1 1 44 13 3  o -0.3284000     1.420000      ?             ?      
1 1 1 44 13 4  o -1.797000      1.304000      ?             ?      
1 1 1 44 13 5  o -0.2427000     1.311000      ?             ?      
1 1 1 44 13 6  o 1.247000       1.283000      ?             ?      
1 1 1 44 13 7  o 0.1983000      1.314000      ?             ?      
1 1 1 44 13 8  o -0.6604000E-01 1.274000      ?             ?      
1 1 1 44 13 9  o 0.9674000      1.132000      ?             ?      
1 1 1 44 13 10 o -1.443000      1.252000      ?             ?      
1 1 1 44 13 11 o -0.7598000     1.239000      ?             ?      
1 1 1 44 13 12 o -0.3232000     1.109000      ?             ?      
1 1 1 44 13 13 o -0.6924000     1.124000      ?             ?      
1 1 1 44 13 14 o 0.2359000      1.117000      ?             ?      
1 1 1 44 13 15 o -0.7305000     1.117000      ?             ?      
1 1 1 44 13 16 o -0.1572000     1.123000      ?             ?      
1 1 1 44 13 17 o -0.9550000     1.119000      ?             ?      
1 1 1 44 13 18 o 0.7980000      1.113000      ?             ?      
1 1 1 44 13 19 o -0.1825000     1.205000      ?             ?      
1 1 1 44 13 20 o -1.123000      1.207000      ?             ?      
1 1 1 44 13 21 o -0.2729000     1.047000      ?             ?      
1 1 1 44 13 22 o -0.4906000     1.023000      ?             ?      
1 1 1 44 13 23 o -0.3396000E-01 1.027000      ?             ?      
1 1 1 44 13 24 o 0.2800000      1.013000      ?             ?      
1 1 1 44 13 25 o -0.1551000     1.041000      ?             ?      
1 1 1 44 13 26 o 0.8230000      1.013000      ?             ?      
1 1 1 44 13 27 o -1.729000      0.9162000     ?             ?      
1 1 1 44 13 28 o 0.1947000E-01  0.9123000     ?             ?      
1 1 1 44 13 29 o -0.3690000     0.9101000     ?             ?      
1 1 1 44 13 30 o -0.5058000E-01 0.9067000     ?             ?      
1 1 1 44 13 31 o -0.6551000     0.8997000     ?             ?      
1 1 1 44 13 32 o -1.225000      0.8917000     ?             ?      
1 1 1 44 13 33 o 0.5378000      0.8962000     ?             ?      
1 1 1 44 13 34 o 1.061000       0.9020000     ?             ?      
1 1 1 44 13 35 o 0.3080000      0.9058000     ?             ?      
1 1 1 44 13 36 o -0.2000000E-01 0.9109000     ?             ?      
1 1 1 44 13 37 o 0.6967000      0.9314000     ?             ?      
1 1 1 44 13 38 o -0.5916000     1.098000      ?             ?      
1 1 1 44 13 39 o -0.3110000     1.131000      ?             ?      
1 1 1 44 13 40 o -1.556000      1.041000      ?             ?      
1 1 1 44 13 41 o -0.4525000     1.023000      ?             ?      
1 1 1 44 13 42 o -0.3713000     0.9742000     ?             ?      
1 1 1 44 13 43 o 0.8479000E-01  0.9733000     ?             ?      
1 1 1 44 13 44 o 0.9491000      0.9857000     ?             ?      
1 1 1 44 13 45 o -0.3700000     3.085000      ?             ?      
1 1 1 44 14 0  o 3.523000       2.220000      ?             ?      
1 1 1 44 14 1  o -2.722000      1.721000      ?             ?      
1 1 1 44 14 2  o -1.027000      1.328000      ?             ?      
1 1 1 44 14 3  o 0.8433000      1.302000      ?             ?      
1 1 1 44 14 4  o -1.657000      1.312000      ?             ?      
1 1 1 44 14 5  o 0.5483000      1.195000      ?             ?      
1 1 1 44 14 6  o -0.2800000     1.276000      ?             ?      
1 1 1 44 14 7  o -0.4692000     1.260000      ?             ?      
1 1 1 44 14 8  o -1.902000      1.089000      ?             ?      
1 1 1 44 14 9  o -0.4588000     1.120000      ?             ?      
1 1 1 44 14 10 o -0.4081000     1.231000      ?             ?      
1 1 1 44 14 11 o -0.2779000     1.213000      ?             ?      
1 1 1 44 14 12 o 0.7103000E-01  1.099000      ?             ?      
1 1 1 44 14 13 o 0.9060000      1.135000      ?             ?      
1 1 1 44 14 14 o 0.2002000      1.164000      ?             ?      
1 1 1 44 14 15 o 1.135000       1.107000      ?             ?      
1 1 1 44 14 16 o 0.6271000E-01  1.090000      ?             ?      
1 1 1 44 14 17 o -0.2024000     1.204000      ?             ?      
1 1 1 44 14 18 o -0.5920000     1.197000      ?             ?      
1 1 1 44 14 19 o -0.6471000     1.083000      ?             ?      
1 1 1 44 14 20 o 0.9553000      1.041000      ?             ?      
1 1 1 44 14 21 o -0.3785000     1.048000      ?             ?      
1 1 1 44 14 22 o -0.5559000     1.039000      ?             ?      
1 1 1 44 14 23 o -1.935000      1.021000      ?             ?      
1 1 1 44 14 24 o -0.8283000     0.9994000     ?             ?      
1 1 1 44 14 25 o -0.5596000     1.011000      ?             ?      
1 1 1 44 14 26 o -1.203000      1.026000      ?             ?      
1 1 1 44 14 27 o -0.1025000     0.9268000     ?             ?      
1 1 1 44 14 28 o -0.6845000E-01 0.9145000     ?             ?      
1 1 1 44 14 29 o -0.6730000E-01 0.9108000     ?             ?      
1 1 1 44 14 30 o -0.3813000     0.9118000     ?             ?      
1 1 1 44 14 31 o -0.8498000     0.9079000     ?             ?      
1 1 1 44 14 32 o -0.4070000     0.9102000     ?             ?      
1 1 1 44 14 33 o -0.6350000     0.9095000     ?             ?      
1 1 1 44 14 34 o -0.2115000     0.9070000     ?             ?      
1 1 1 44 14 35 o -0.2638000     0.9036000     ?             ?      
1 1 1 44 14 36 o 1.383000       0.9153000     ?             ?      
1 1 1 44 14 37 o 0.8050000      1.095000      ?             ?      
1 1 1 44 14 38 o 0.6310000      1.127000      ?             ?      
1 1 1 44 14 39 o -0.1419000E-01 1.096000      ?             ?      
1 1 1 44 14 40 o 0.3411000      1.038000      ?             ?      
1 1 1 44 14 41 o -0.2887000     0.9901000     ?             ?      
1 1 1 44 14 42 o -0.3673000E-01 0.9721000     ?             ?      
1 1 1 44 14 43 o 0.7054000      1.002000      ?             ?      
1 1 1 44 14 44 o -1.244000      1.033000      ?             ?      
1 1 1 44 15 0  o 4.002000       2.181000      ?             ?      
1 1 1 44 15 1  o -0.3620000     1.452000      ?             ?      
1 1 1 44 15 2  o -1.485000      1.306000      ?             ?      
1 1 1 44 15 3  o 0.9262000      1.635000      ?             ?      
1 1 1 44 15 4  o 1.361000       1.289000      ?             ?      
1 1 1 44 15 5  o -0.3639000     1.189000      ?             ?      
1 1 1 44 15 6  o 0.8873000      1.307000      ?             ?      
1 1 1 44 15 7  o -1.717000      1.301000      ?             ?      
1 1 1 44 15 8  o -0.6252000     1.121000      ?             ?      
1 1 1 44 15 9  o -0.1507000     1.270000      ?             ?      
1 1 1 44 15 10 o 1.113000       1.249000      ?             ?      
1 1 1 44 15 11 o -0.7643000     1.245000      ?             ?      
1 1 1 44 15 12 o -1.501000      1.087000      ?             ?      
1 1 1 44 15 13 o -0.7708000     1.085000      ?             ?      
1 1 1 44 15 14 o 1.329000       1.202000      ?             ?      
1 1 1 44 15 15 o -0.3607000     1.179000      ?             ?      
1 1 1 44 15 16 o 0.8442000      1.078000      ?             ?      
1 1 1 44 15 17 o -0.4430000     1.054000      ?             ?      
1 1 1 44 15 18 o -0.8540000     1.074000      ?             ?      
1 1 1 44 15 19 o -1.118000      1.047000      ?             ?      
1 1 1 44 15 20 o 0.3199000E-01  1.047000      ?             ?      
1 1 1 44 15 21 o 1.048000       1.040000      ?             ?      
1 1 1 44 15 22 o 0.4147000      1.052000      ?             ?      
1 1 1 44 15 23 o 0.2970000      1.024000      ?             ?      
1 1 1 44 15 24 o 0.7519000E-01  1.025000      ?             ?      
1 1 1 44 15 25 o 1.107000       1.019000      ?             ?      
1 1 1 44 15 26 o -0.2006000     1.023000      ?             ?      
1 1 1 44 15 27 o 0.2040000      1.023000      ?             ?      
1 1 1 44 15 28 o -0.5982000     0.9093000     ?             ?      
1 1 1 44 15 29 o -0.2150000     0.9161000     ?             ?      
1 1 1 44 15 30 o 0.6306000E-01  0.9193000     ?             ?      
1 1 1 44 15 31 o 0.4907000      0.9136000     ?             ?      
1 1 1 44 15 32 o 0.5619000E-02  0.9110000     ?             ?      
1 1 1 44 15 33 o -0.1369000     0.9084000     ?             ?      
1 1 1 44 15 34 o -0.5690000     0.9062000     ?             ?      
1 1 1 44 15 35 o 0.6053000      0.9164000     ?             ?      
1 1 1 44 15 36 o -0.5308000     0.9295000     ?             ?      
1 1 1 44 15 37 o 0.7471000      1.094000      ?             ?      
1 1 1 44 15 38 o -1.755000      1.132000      ?             ?      
1 1 1 44 15 39 o 0.4191000      1.067000      ?             ?      
1 1 1 44 15 40 o -0.1680000     1.465000      ?             ?      
1 1 1 44 15 41 o 1.050000       0.9850000     ?             ?      
1 1 1 44 15 42 o 1.445000       1.003000      ?             ?      
1 1 1 44 15 43 o 0.7546000      1.012000      ?             ?      
1 1 1 44 15 44 o -2.480000      1.403000      ?             ?      
1 1 1 44 16 0  o 0.2913000      2.155000      ?             ?      
1 1 1 44 16 1  o 0.3055000      1.528000      ?             ?      
1 1 1 44 16 2  o 1.253000       1.166000      ?             ?      
1 1 1 44 16 3  o -0.3062000E-01 1.155000      ?             ?      
1 1 1 44 16 4  o 1.749000       1.186000      ?             ?      
1 1 1 44 16 5  o 0.4077000      1.189000      ?             ?      
1 1 1 44 16 6  o 1.182000       1.301000      ?             ?      
1 1 1 44 16 7  o -1.493000      1.313000      ?             ?      
1 1 1 44 16 8  o 0.4024000E-01  1.140000      ?             ?      
1 1 1 44 16 9  o 2.508000       1.219000      ?             ?      
1 1 1 44 16 10 o 1.454000       1.244000      ?             ?      
1 1 1 44 16 11 o -1.320000      1.157000      ?             ?      
1 1 1 44 16 12 o 0.3080000      1.165000      ?             ?      
1 1 1 44 16 13 o 0.2003000      1.094000      ?             ?      
1 1 1 44 16 14 o -0.9131000     1.048000      ?             ?      
1 1 1 44 16 15 o 2.005000       1.065000      ?             ?      
1 1 1 44 16 16 o -0.9869000     1.060000      ?             ?      
1 1 1 44 16 17 o 0.1669000      1.052000      ?             ?      
1 1 1 44 16 18 o 0.5562000      1.067000      ?             ?      
1 1 1 44 16 19 o -0.1170000     1.058000      ?             ?      
1 1 1 44 16 20 o -0.7919000E-01 1.045000      ?             ?      
1 1 1 44 16 21 o 1.113000       1.051000      ?             ?      
1 1 1 44 16 22 o 0.1685000      1.043000      ?             ?      
1 1 1 44 16 23 o -1.424000      1.057000      ?             ?      
1 1 1 44 16 24 o 0.1952000E-01  1.041000      ?             ?      
1 1 1 44 16 25 o -0.7984000     1.031000      ?             ?      
1 1 1 44 16 26 o 2.089000       1.028000      ?             ?      
1 1 1 44 16 27 o -0.1647000     1.014000      ?             ?      
1 1 1 44 16 28 o -0.7049000     1.023000      ?             ?      
1 1 1 44 16 29 o -0.2608000     0.9198000     ?             ?      
1 1 1 44 16 30 o 1.118000       0.9267000     ?             ?      
1 1 1 44 16 31 o 0.9299000      0.9202000     ?             ?      
1 1 1 44 16 32 o 1.694000       0.9278000     ?             ?      
1 1 1 44 16 33 o 1.954000       0.9241000     ?             ?      
1 1 1 44 16 34 o 0.7129000      0.9250000     ?             ?      
1 1 1 44 16 35 o 0.8597000      0.9390000     ?             ?      
1 1 1 44 16 36 o 0.4397000      1.095000      ?             ?      
1 1 1 44 16 37 o 0.8122000      1.138000      ?             ?      
1 1 1 44 16 38 o -0.3504000     1.250000      ?             ?      
1 1 1 44 16 39 o -0.3338000     1.031000      ?             ?      
1 1 1 44 16 40 o -1.169000      1.036000      ?             ?      
1 1 1 44 16 41 o 0.2348000      0.9882000     ?             ?      
1 1 1 44 16 42 o 0.1395000      0.9943000     ?             ?      
1 1 1 44 16 43 o -1.179000      1.447000      ?             ?      
1 1 1 44 16 44 o 0.8107000      3.032000      ?             ?      
1 1 1 44 17 0  o -0.4705000     2.157000      ?             ?      
1 1 1 44 17 1  o -0.3833000     1.349000      ?             ?      
1 1 1 44 17 2  o -1.277000      1.294000      ?             ?      
1 1 1 44 17 3  o -1.570000      1.172000      ?             ?      
1 1 1 44 17 4  o -0.4104000     1.173000      ?             ?      
1 1 1 44 17 5  o 1.428000       1.330000      ?             ?      
1 1 1 44 17 6  o 0.2850000      1.313000      ?             ?      
1 1 1 44 17 7  o -2.733000      1.236000      ?             ?      
1 1 1 44 17 8  o -1.505000      1.240000      ?             ?      
1 1 1 44 17 9  o -1.377000      1.327000      ?             ?      
1 1 1 44 17 10 o 0.6729000      1.351000      ?             ?      
1 1 1 44 17 11 o -1.142000      1.083000      ?             ?      
1 1 1 44 17 12 o 0.9228000      1.125000      ?             ?      
1 1 1 44 17 13 o 0.7731000E-01  1.127000      ?             ?      
1 1 1 44 17 14 o -0.7859000     1.056000      ?             ?      
1 1 1 44 17 15 o 1.108000       1.062000      ?             ?      
1 1 1 44 17 16 o 0.7520000      1.050000      ?             ?      
1 1 1 44 17 17 o -0.4830000     1.072000      ?             ?      
1 1 1 44 17 18 o 0.5228000      1.046000      ?             ?      
1 1 1 44 17 19 o 1.971000       1.052000      ?             ?      
1 1 1 44 17 20 o -0.9772000     1.048000      ?             ?      
1 1 1 44 17 21 o -1.020000      1.039000      ?             ?      
1 1 1 44 17 22 o 0.7159000      1.050000      ?             ?      
1 1 1 44 17 23 o 0.5731000      1.060000      ?             ?      
1 1 1 44 17 24 o 0.6505000      1.054000      ?             ?      
1 1 1 44 17 25 o 1.685000       1.044000      ?             ?      
1 1 1 44 17 26 o -0.3310000     1.037000      ?             ?      
1 1 1 44 17 27 o 0.8821000E-01  1.022000      ?             ?      
1 1 1 44 17 28 o 0.3216000      1.009000      ?             ?      
1 1 1 44 17 29 o 0.8582000      0.9578000     ?             ?      
1 1 1 44 17 30 o 0.9007000      0.9217000     ?             ?      
1 1 1 44 17 31 o -0.2935000     0.9160000     ?             ?      
1 1 1 44 17 32 o -0.9962000     0.9330000     ?             ?      
1 1 1 44 17 33 o 0.5584000      0.9348000     ?             ?      
1 1 1 44 17 34 o 1.272000       0.9459000     ?             ?      
1 1 1 44 17 35 o 0.4363000      0.9824000     ?             ?      
1 1 1 44 17 36 o -0.5588000     1.127000      ?             ?      
1 1 1 44 17 37 o -0.5358000E-01 1.139000      ?             ?      
1 1 1 44 17 38 o 2.252000       1.096000      ?             ?      
1 1 1 44 17 39 o -0.7286000     1.028000      ?             ?      
1 1 1 44 17 40 o 0.4861000      0.9920000     ?             ?      
1 1 1 44 17 41 o 0.2509000      0.9972000     ?             ?      
1 1 1 44 17 42 o 0.6916000      1.010000      ?             ?      
1 1 1 44 17 43 o -0.9256000     1.251000      ?             ?      
1 1 1 44 18 0  o -0.3084000     1.633000      ?             ?      
1 1 1 44 18 1  o -0.6180000     1.159000      ?             ?      
1 1 1 44 18 2  o 0.6896000      1.167000      ?             ?      
1 1 1 44 18 3  o 1.269000       1.282000      ?             ?      
1 1 1 44 18 4  o 1.178000       1.192000      ?             ?      
1 1 1 44 18 5  o 0.1833000E-01  1.305000      ?             ?      
1 1 1 44 18 6  o 1.702000       1.347000      ?             ?      
1 1 1 44 18 7  o 2.337000       1.107000      ?             ?      
1 1 1 44 18 8  o -0.8173000     1.257000      ?             ?      
1 1 1 44 18 9  o -1.504000      1.202000      ?             ?      
1 1 1 44 18 10 o 0.6441000E-01  1.209000      ?             ?      
1 1 1 44 18 11 o 0.3085000      1.225000      ?             ?      
1 1 1 44 18 12 o 0.3423000      1.229000      ?             ?      
1 1 1 44 18 13 o -0.1753000     1.072000      ?             ?      
1 1 1 44 18 14 o -0.5974000     1.049000      ?             ?      
1 1 1 44 18 15 o 0.7060000      1.086000      ?             ?      
1 1 1 44 18 16 o 0.6223000      1.105000      ?             ?      
1 1 1 44 18 17 o -1.341000      1.060000      ?             ?      
1 1 1 44 18 18 o -0.5563000     1.052000      ?             ?      
1 1 1 44 18 19 o -0.3397000     1.042000      ?             ?      
1 1 1 44 18 20 o -0.2397000     1.036000      ?             ?      
1 1 1 44 18 21 o -1.906000      1.047000      ?             ?      
1 1 1 44 18 22 o 1.111000       1.046000      ?             ?      
1 1 1 44 18 23 o 0.3924000      1.034000      ?             ?      
1 1 1 44 18 24 o -0.8157000     1.059000      ?             ?      
1 1 1 44 18 25 o -0.8991000     1.050000      ?             ?      
1 1 1 44 18 26 o -0.1875000     1.044000      ?             ?      
1 1 1 44 18 27 o -0.3854000     1.038000      ?             ?      
1 1 1 44 18 28 o -1.820000      1.032000      ?             ?      
1 1 1 44 18 29 o 1.808000       1.050000      ?             ?      
1 1 1 44 18 30 o -0.5600000     0.9498000     ?             ?      
1 1 1 44 18 31 o -0.2599000E-01 0.9323000     ?             ?      
1 1 1 44 18 32 o 0.3214000      0.9830000     ?             ?      
1 1 1 44 18 33 o 0.5876000      0.9527000     ?             ?      
1 1 1 44 18 34 o -1.426000      0.9432000     ?             ?      
1 1 1 44 18 35 o 0.2834000      0.9972000     ?             ?      
1 1 1 44 18 36 o -1.181000      1.125000      ?             ?      
1 1 1 44 18 37 o -3.039000      1.191000      ?             ?      
1 1 1 44 18 38 o -0.7190000     1.035000      ?             ?      
1 1 1 44 18 39 o -0.1715000     1.004000      ?             ?      
1 1 1 44 18 40 o 1.026000       1.446000      ?             ?      
1 1 1 44 18 41 o 0.1063000      0.9974000     ?             ?      
1 1 1 44 18 42 o -0.6317000     1.017000      ?             ?      
1 1 1 44 19 1  o 0.5182000      1.450000      ?             ?      
1 1 1 44 19 2  o 0.5422000      1.388000      ?             ?      
1 1 1 44 19 3  o -0.7534000     1.115000      ?             ?      
1 1 1 44 19 4  o 0.2312000      1.151000      ?             ?      
1 1 1 44 19 5  o -0.1167000     1.232000      ?             ?      
1 1 1 44 19 6  o 1.011000       1.078000      ?             ?      
1 1 1 44 19 7  o 0.5341000      1.076000      ?             ?      
1 1 1 44 19 8  o -0.9737000     1.201000      ?             ?      
1 1 1 44 19 9  o 0.6860000E-01  1.106000      ?             ?      
1 1 1 44 19 10 o 1.106000       1.037000      ?             ?      
1 1 1 44 19 11 o 1.879000       1.031000      ?             ?      
1 1 1 44 19 12 o 0.3098000      1.045000      ?             ?      
1 1 1 44 19 13 o -0.8272000     1.065000      ?             ?      
1 1 1 44 19 14 o 0.2336000      1.219000      ?             ?      
1 1 1 44 19 15 o 0.9284000      1.218000      ?             ?      
1 1 1 44 19 16 o 1.277000       1.229000      ?             ?      
1 1 1 44 19 17 o -0.3966000     1.110000      ?             ?      
1 1 1 44 19 18 o 1.043000       1.099000      ?             ?      
1 1 1 44 19 19 o -2.181000      1.050000      ?             ?      
1 1 1 44 19 20 o 0.3425000      1.061000      ?             ?      
1 1 1 44 19 21 o 1.710000       1.060000      ?             ?      
1 1 1 44 19 22 o -0.3006000     1.040000      ?             ?      
1 1 1 44 19 23 o -0.4481000     1.040000      ?             ?      
1 1 1 44 19 24 o 1.278000       1.061000      ?             ?      
1 1 1 44 19 25 o 0.9447000      1.060000      ?             ?      
1 1 1 44 19 26 o 1.538000       1.049000      ?             ?      
1 1 1 44 19 27 o 0.4023000      1.045000      ?             ?      
1 1 1 44 19 28 o -1.319000      1.024000      ?             ?      
1 1 1 44 19 29 o -0.4323000     1.007000      ?             ?      
1 1 1 44 19 30 o 0.1599000      1.044000      ?             ?      
1 1 1 44 19 31 o -0.2744000     0.9576000     ?             ?      
1 1 1 44 19 32 o -1.635000      0.9288000     ?             ?      
1 1 1 44 19 33 o 2.504000       0.9563000     ?             ?      
1 1 1 44 19 34 o 0.6415000E-01  0.9900000     ?             ?      
1 1 1 44 19 35 o -0.5788000     1.143000      ?             ?      
1 1 1 44 19 36 o 2.557000       1.235000      ?             ?      
1 1 1 44 19 37 o 0.8020000E-01  1.061000      ?             ?      
1 1 1 44 19 38 o -0.6159000     1.038000      ?             ?      
1 1 1 44 19 39 o -0.8329000     0.9700000     ?             ?      
1 1 1 44 19 40 o -1.265000      0.9866000     ?             ?      
1 1 1 44 19 41 o 0.5462000      1.009000      ?             ?      
1 1 1 44 19 42 o 1.555000       1.588000      ?             ?      
1 1 1 44 20 0  o 2.469000       1.680000      ?             ?      
1 1 1 44 20 1  o 1.077000       1.462000      ?             ?      
1 1 1 44 20 2  o -0.6370000     1.177000      ?             ?      
1 1 1 44 20 3  o 0.5308000      1.217000      ?             ?      
1 1 1 44 20 4  o -0.7487000     1.291000      ?             ?      
1 1 1 44 20 5  o -1.306000      1.164000      ?             ?      
1 1 1 44 20 6  o -0.8302000     0.9735000     ?             ?      
1 1 1 44 20 7  o 1.330000       1.044000      ?             ?      
1 1 1 44 20 8  o 0.7603000      1.160000      ?             ?      
1 1 1 44 20 9  o -0.3717000E-01 1.109000      ?             ?      
1 1 1 44 20 10 o -1.106000      0.9788000     ?             ?      
1 1 1 44 20 11 o -0.3787000     0.9707000     ?             ?      
1 1 1 44 20 12 o 1.179000       0.9765000     ?             ?      
1 1 1 44 20 13 o 1.655000       0.9928000     ?             ?      
1 1 1 44 20 14 o -0.7374000     1.048000      ?             ?      
1 1 1 44 20 15 o -0.3023000     1.091000      ?             ?      
1 1 1 44 20 16 o 0.8108000      1.061000      ?             ?      
1 1 1 44 20 17 f -0.8615000     1.214000      ?             ?      
1 1 1 44 20 18 o -0.6153000     1.225000      ?             ?      
1 1 1 44 20 19 o -0.8196000     1.064000      ?             ?      
1 1 1 44 20 20 o -0.2580000     1.111000      ?             ?      
1 1 1 44 20 21 o 0.3497000      1.121000      ?             ?      
1 1 1 44 20 22 o 0.2664000      1.069000      ?             ?      
1 1 1 44 20 23 o -1.072000      1.060000      ?             ?      
1 1 1 44 20 24 o -0.6199000     1.077000      ?             ?      
1 1 1 44 20 25 o 0.7470000      1.094000      ?             ?      
1 1 1 44 20 26 o -0.9866000     1.060000      ?             ?      
1 1 1 44 20 27 o 0.2749000      1.049000      ?             ?      
1 1 1 44 20 28 o 0.3401000      1.047000      ?             ?      
1 1 1 44 20 29 o -0.3185000     1.034000      ?             ?      
1 1 1 44 20 30 o -0.8283000     1.029000      ?             ?      
1 1 1 44 20 31 o 0.5641000E-01  1.055000      ?             ?      
1 1 1 44 20 32 o 1.028000       0.9730000     ?             ?      
1 1 1 44 20 33 o -0.5954000     0.9518000     ?             ?      
1 1 1 44 20 34 o -0.8483000     1.024000      ?             ?      
1 1 1 44 20 35 o -1.389000      1.145000      ?             ?      
1 1 1 44 20 36 o -0.7115000     1.183000      ?             ?      
1 1 1 44 20 37 o 1.100000       1.539000      ?             ?      
1 1 1 44 20 38 o -1.228000      1.010000      ?             ?      
1 1 1 44 20 39 o -1.325000      1.006000      ?             ?      
1 1 1 44 20 40 o 0.6844000      1.003000      ?             ?      
1 1 1 44 20 41 o 1.189000       1.064000      ?             ?      
1 1 1 44 21 0  o -0.5879000     1.635000      ?             ?      
1 1 1 44 21 1  o -0.8680000     1.131000      ?             ?      
1 1 1 44 21 2  o 1.019000       1.162000      ?             ?      
1 1 1 44 21 3  o -0.1351000     1.451000      ?             ?      
1 1 1 44 21 4  o 0.9812000      2.014000      ?             ?      
1 1 1 44 21 5  o 0.7840000      1.230000      ?             ?      
1 1 1 44 21 6  o -1.040000      1.033000      ?             ?      
1 1 1 44 21 7  o -1.241000      1.171000      ?             ?      
1 1 1 44 21 8  o 0.9377000      1.065000      ?             ?      
1 1 1 44 21 9  o 0.2858000      1.064000      ?             ?      
1 1 1 44 21 10 o 1.291000       0.9661000     ?             ?      
1 1 1 44 21 11 o 0.2207000      0.9572000     ?             ?      
1 1 1 44 21 12 o 0.7969000E-01  0.9646000     ?             ?      
1 1 1 44 21 13 o 0.1668000      0.9681000     ?             ?      
1 1 1 44 21 14 o 2.000000       1.068000      ?             ?      
1 1 1 44 21 15 o -1.271000      1.051000      ?             ?      
1 1 1 44 21 16 o 1.122000       1.054000      ?             ?      
1 1 1 44 21 17 o -0.3781000     1.047000      ?             ?      
1 1 1 44 21 18 o 0.1740000      1.052000      ?             ?      
1 1 1 44 21 19 o -1.995000      1.058000      ?             ?      
1 1 1 44 21 20 o -0.6718000E-01 1.250000      ?             ?      
1 1 1 44 21 21 o -1.953000      1.239000      ?             ?      
1 1 1 44 21 22 o -1.023000      1.098000      ?             ?      
1 1 1 44 21 23 o -0.9804000     1.131000      ?             ?      
1 1 1 44 21 24 o -0.5071000E-01 1.152000      ?             ?      
1 1 1 44 21 25 o -1.544000      1.081000      ?             ?      
1 1 1 44 21 26 o 1.061000       1.088000      ?             ?      
1 1 1 44 21 27 o -0.3751000E-01 1.058000      ?             ?      
1 1 1 44 21 28 o -1.718000      1.049000      ?             ?      
1 1 1 44 21 29 o -0.5380000     1.048000      ?             ?      
1 1 1 44 21 30 o -0.4785000     1.056000      ?             ?      
1 1 1 44 21 31 o 1.179000       1.040000      ?             ?      
1 1 1 44 21 32 o -0.5624000     1.083000      ?             ?      
1 1 1 44 21 33 o -1.169000      1.011000      ?             ?      
1 1 1 44 21 34 o -0.7626000     1.133000      ?             ?      
1 1 1 44 21 35 o -0.1759000E-01 1.183000      ?             ?      
1 1 1 44 21 36 o 0.4772000      1.217000      ?             ?      
1 1 1 44 21 37 o 0.8068000      1.060000      ?             ?      
1 1 1 44 21 38 o -0.7923000     0.9906000     ?             ?      
1 1 1 44 21 39 o 0.1864000      1.016000      ?             ?      
1 1 1 44 21 40 o 0.7770000      1.024000      ?             ?      
1 1 1 44 21 41 o 0.9446000      2.735000      ?             ?      
1 1 1 44 22 0  o 1.335000       1.600000      ?             ?      
1 1 1 44 22 1  o -0.9728000     1.131000      ?             ?      
1 1 1 44 22 2  o -1.586000      1.140000      ?             ?      
1 1 1 44 22 3  o 0.6868000      1.175000      ?             ?      
1 1 1 44 22 4  o 0.8015000      1.991000      ?             ?      
1 1 1 44 22 5  o 0.7359000      1.024000      ?             ?      
1 1 1 44 22 6  o 0.4861000      0.9955000     ?             ?      
1 1 1 44 22 7  o -0.1775000     1.585000      ?             ?      
1 1 1 44 22 8  o -1.585000      1.216000      ?             ?      
1 1 1 44 22 9  o -1.618000      1.038000      ?             ?      
1 1 1 44 22 10 o 1.865000       1.648000      ?             ?      
1 1 1 44 22 11 o -0.5842000     0.9636000     ?             ?      
1 1 1 44 22 12 f -1.282000      0.9695000     ?             ?      
1 1 1 44 22 13 o 0.3715000      0.9795000     ?             ?      
1 1 1 44 22 14 o -0.2214000     0.9857000     ?             ?      
1 1 1 44 22 15 o -1.217000      1.037000      ?             ?      
1 1 1 44 22 16 o 1.969000       1.052000      ?             ?      
1 1 1 44 22 17 o 1.433000       1.041000      ?             ?      
1 1 1 44 22 18 o -0.2472000     1.047000      ?             ?      
1 1 1 44 22 19 o -0.8603000     1.068000      ?             ?      
1 1 1 44 22 20 o 0.8150000      1.087000      ?             ?      
1 1 1 44 22 21 o -0.8330000E-01 1.086000      ?             ?      
1 1 1 44 22 22 o -0.3685000     1.094000      ?             ?      
1 1 1 44 22 23 o 0.7285000      1.285000      ?             ?      
1 1 1 44 22 24 o -1.338000      1.299000      ?             ?      
1 1 1 44 22 25 o 2.256000       1.123000      ?             ?      
1 1 1 44 22 26 o -0.4256000     1.197000      ?             ?      
1 1 1 44 22 27 o -0.7311000     1.156000      ?             ?      
1 1 1 44 22 28 o -1.292000      1.065000      ?             ?      
1 1 1 44 22 29 o -1.018000      1.083000      ?             ?      
1 1 1 44 22 30 o -0.2709000     1.072000      ?             ?      
1 1 1 44 22 31 o 0.9636000      1.052000      ?             ?      
1 1 1 44 22 32 o -0.4721000     1.136000      ?             ?      
1 1 1 44 22 33 o -0.7864000     1.266000      ?             ?      
1 1 1 44 22 34 o -0.9559000     1.161000      ?             ?      
1 1 1 44 22 35 o -1.108000      1.175000      ?             ?      
1 1 1 44 22 36 o -0.9306000     1.056000      ?             ?      
1 1 1 44 22 37 o -1.121000      1.034000      ?             ?      
1 1 1 44 22 38 o -0.4392000     1.022000      ?             ?      
1 1 1 44 22 39 o -1.097000      1.027000      ?             ?      
1 1 1 44 22 40 o -1.864000      1.939000      ?             ?      
1 1 1 44 23 0  o 0.7890000      1.592000      ?             ?      
1 1 1 44 23 1  o -1.667000      1.138000      ?             ?      
1 1 1 44 23 2  o -0.8801000     1.150000      ?             ?      
1 1 1 44 23 3  o 0.5895000      1.274000      ?             ?      
1 1 1 44 23 4  o -1.239000      1.246000      ?             ?      
1 1 1 44 23 5  o 0.1527000      1.010000      ?             ?      
1 1 1 44 23 6  o -0.1515000     1.289000      ?             ?      
1 1 1 44 23 7  o -0.5332000     1.186000      ?             ?      
1 1 1 44 23 8  o 0.1496000      1.109000      ?             ?      
1 1 1 44 23 9  o -0.5393000     1.119000      ?             ?      
1 1 1 44 23 10 o -1.594000      1.107000      ?             ?      
1 1 1 44 23 11 f -0.5455000     1.050000      ?             ?      
1 1 1 44 23 12 o -0.8011000E-01 1.047000      ?             ?      
1 1 1 44 23 13 o 0.4570000E-01  0.9884000     ?             ?      
1 1 1 44 23 14 o -0.4341000     0.9631000     ?             ?      
1 1 1 44 23 15 o 1.568000       1.031000      ?             ?      
1 1 1 44 23 16 o -0.7890000     1.034000      ?             ?      
1 1 1 44 23 17 o -0.5750000     1.030000      ?             ?      
1 1 1 44 23 18 o -1.245000      1.043000      ?             ?      
1 1 1 44 23 19 o 0.6140000E-01  1.068000      ?             ?      
1 1 1 44 23 20 o -1.814000      1.072000      ?             ?      
1 1 1 44 23 21 o -0.7666000E-01 1.086000      ?             ?      
1 1 1 44 23 22 o -0.1607000     1.096000      ?             ?      
1 1 1 44 23 23 o 0.3458000      1.120000      ?             ?      
1 1 1 44 23 24 o 0.7339000      1.124000      ?             ?      
1 1 1 44 23 25 o 1.767000       1.132000      ?             ?      
1 1 1 44 23 26 o -0.8216000     1.269000      ?             ?      
1 1 1 44 23 27 o -0.3422000     1.249000      ?             ?      
1 1 1 44 23 28 o -0.4505000E-01 1.117000      ?             ?      
1 1 1 44 23 29 o 0.4792000      1.162000      ?             ?      
1 1 1 44 23 30 o 0.4854000E-01  1.149000      ?             ?      
1 1 1 44 23 31 o -1.253000      1.078000      ?             ?      
1 1 1 44 23 32 o 0.9942000      1.257000      ?             ?      
1 1 1 44 23 33 o 0.2899000      1.331000      ?             ?      
1 1 1 44 23 34 o -0.1466000     1.330000      ?             ?      
1 1 1 44 23 35 o -1.350000      1.645000      ?             ?      
1 1 1 44 23 36 o -0.4845000     1.024000      ?             ?      
1 1 1 44 23 37 o 0.9462000      1.033000      ?             ?      
1 1 1 44 23 38 o 0.1973000E-01  1.028000      ?             ?      
1 1 1 44 23 39 o 0.8450000      1.216000      ?             ?      
1 1 1 44 24 0  o -1.662000      1.608000      ?             ?      
1 1 1 44 24 1  o 0.3358000      1.143000      ?             ?      
1 1 1 44 24 2  o 2.393000       1.170000      ?             ?      
1 1 1 44 24 3  o 0.3182000      1.303000      ?             ?      
1 1 1 44 24 4  o 0.7260000      1.269000      ?             ?      
1 1 1 44 24 5  o 0.6833000      1.011000      ?             ?      
1 1 1 44 24 6  o -1.100000      1.279000      ?             ?      
1 1 1 44 24 7  o 0.2921000      1.285000      ?             ?      
1 1 1 44 24 8  o -0.4437000E-01 1.078000      ?             ?      
1 1 1 44 24 9  o 1.025000       0.9783000     ?             ?      
1 1 1 44 24 10 o -0.8664000     0.9869000     ?             ?      
1 1 1 44 24 11 o 0.7438000E-01  0.9928000     ?             ?      
1 1 1 44 24 12 o -0.3961000     1.127000      ?             ?      
1 1 1 44 24 13 o -1.514000      1.083000      ?             ?      
1 1 1 44 24 14 o -0.5772000     1.053000      ?             ?      
1 1 1 44 24 15 o -2.170000      1.140000      ?             ?      
1 1 1 44 24 16 o -0.5508000     1.035000      ?             ?      
1 1 1 44 24 17 o -0.7723000E-01 1.042000      ?             ?      
1 1 1 44 24 18 o -0.5602000     1.054000      ?             ?      
1 1 1 44 24 19 o 0.3476000      1.076000      ?             ?      
1 1 1 44 24 20 o 0.5601000      1.088000      ?             ?      
1 1 1 44 24 21 o -0.7771000     1.098000      ?             ?      
1 1 1 44 24 22 o 0.4808000      1.091000      ?             ?      
1 1 1 44 24 23 o -1.080000      1.101000      ?             ?      
1 1 1 44 24 24 o 0.8780000E-01  1.112000      ?             ?      
1 1 1 44 24 25 o -0.6413000     1.105000      ?             ?      
1 1 1 44 24 26 o 0.3307000      1.104000      ?             ?      
1 1 1 44 24 27 o 0.9503000      1.113000      ?             ?      
1 1 1 44 24 28 o 0.4872000E-02  1.129000      ?             ?      
1 1 1 44 24 29 o 0.7789000E-01  1.227000      ?             ?      
1 1 1 44 24 30 o 1.396000       1.224000      ?             ?      
1 1 1 44 24 31 o 0.8636000      1.186000      ?             ?      
1 1 1 44 24 32 o -0.7045000     1.331000      ?             ?      
1 1 1 44 24 33 o 0.2966000      1.229000      ?             ?      
1 1 1 44 24 34 o -0.9011000     1.176000      ?             ?      
1 1 1 44 24 35 o -0.4961000     1.258000      ?             ?      
1 1 1 44 24 36 o 0.9838000      1.062000      ?             ?      
1 1 1 44 24 37 o -1.010000      0.9878000     ?             ?      
1 1 1 44 24 38 o 1.182000       1.209000      ?             ?      
1 1 1 44 25 0  o 0.3487000      1.621000      ?             ?      
1 1 1 44 25 1  o -0.1380000     1.160000      ?             ?      
1 1 1 44 25 2  o -1.125000      1.180000      ?             ?      
1 1 1 44 25 3  o 1.791000       1.985000      ?             ?      
1 1 1 44 25 4  o 1.941000       1.054000      ?             ?      
1 1 1 44 25 5  o -0.3559000     1.001000      ?             ?      
1 1 1 44 25 6  o 0.5145000E-01  1.279000      ?             ?      
1 1 1 44 25 7  o 0.7784000      1.272000      ?             ?      
1 1 1 44 25 8  o -1.552000      1.032000      ?             ?      
1 1 1 44 25 9  o -0.7465000     0.9756000     ?             ?      
1 1 1 44 25 10 o 0.2456000      0.9719000     ?             ?      
1 1 1 44 25 11 o -0.1868000     0.9880000     ?             ?      
1 1 1 44 25 12 o 0.7067000E-01  0.9810000     ?             ?      
1 1 1 44 25 13 o 1.297000       0.9991000     ?             ?      
1 1 1 44 25 14 o -0.2808000     1.003000      ?             ?      
1 1 1 44 25 15 o -1.034000      1.177000      ?             ?      
1 1 1 44 25 16 o -0.4491000     1.210000      ?             ?      
1 1 1 44 25 17 o -0.5447000     1.196000      ?             ?      
1 1 1 44 25 18 o -0.7301000     1.186000      ?             ?      
1 1 1 44 25 19 o -1.477000      1.076000      ?             ?      
1 1 1 44 25 20 o -1.025000      1.087000      ?             ?      
1 1 1 44 25 21 o -0.9369000     1.093000      ?             ?      
1 1 1 44 25 22 o -0.7890000     1.089000      ?             ?      
1 1 1 44 25 23 o -0.9454000     1.113000      ?             ?      
1 1 1 44 25 24 o 1.134000       1.103000      ?             ?      
1 1 1 44 25 25 o 0.4151000      1.115000      ?             ?      
1 1 1 44 25 26 o 0.7774000      1.110000      ?             ?      
1 1 1 44 25 27 o -1.230000      1.133000      ?             ?      
1 1 1 44 25 28 o -0.5279000     1.137000      ?             ?      
1 1 1 44 25 29 o -0.1728000     1.113000      ?             ?      
1 1 1 44 25 30 o -0.5932000     1.211000      ?             ?      
1 1 1 44 25 31 o -2.141000      1.324000      ?             ?      
1 1 1 44 25 32 o 0.6008000      1.602000      ?             ?      
1 1 1 44 25 33 o 0.8366000      1.344000      ?             ?      
1 1 1 44 25 34 o 1.372000       1.273000      ?             ?      
1 1 1 44 25 35 o -1.264000      1.232000      ?             ?      
1 1 1 44 25 36 o 0.1396000      1.312000      ?             ?      
1 1 1 44 25 37 o -1.326000      1.261000      ?             ?      
1 1 1 44 25 38 o 1.782000       2.633000      ?             ?      
1 1 1 44 26 0  o -0.9751000E-01 1.633000      ?             ?      
1 1 1 44 26 1  o -0.2612000     1.167000      ?             ?      
1 1 1 44 26 2  o 1.933000       1.272000      ?             ?      
1 1 1 44 26 3  o -0.6541000     1.968000      ?             ?      
1 1 1 44 26 4  o -0.1666000     1.062000      ?             ?      
1 1 1 44 26 5  o -0.3970000     1.022000      ?             ?      
1 1 1 44 26 6  o 0.4265000      1.252000      ?             ?      
1 1 1 44 26 7  o 0.1170000      1.266000      ?             ?      
1 1 1 44 26 8  o -0.4703000     1.099000      ?             ?      
1 1 1 44 26 9  o -0.9443000     1.015000      ?             ?      
1 1 1 44 26 10 o 1.720000       0.9873000     ?             ?      
1 1 1 44 26 11 o -0.5338000     0.9775000     ?             ?      
1 1 1 44 26 12 o -0.7960000     0.9772000     ?             ?      
1 1 1 44 26 13 o -2.050000      0.9834000     ?             ?      
1 1 1 44 26 14 o -1.113000      0.9675000     ?             ?      
1 1 1 44 26 15 o 0.9405000      1.045000      ?             ?      
1 1 1 44 26 16 o 0.1084000      1.075000      ?             ?      
1 1 1 44 26 17 o -0.5354000     1.095000      ?             ?      
1 1 1 44 26 18 o 1.534000       1.222000      ?             ?      
1 1 1 44 26 19 o 0.2012000      1.409000      ?             ?      
1 1 1 44 26 20 o -0.8136000     1.218000      ?             ?      
1 1 1 44 26 21 o 0.1004000      1.122000      ?             ?      
1 1 1 44 26 22 o -0.3397000     1.101000      ?             ?      
1 1 1 44 26 23 o 0.1238000      1.110000      ?             ?      
1 1 1 44 26 24 o 1.386000       1.119000      ?             ?      
1 1 1 44 26 25 o -0.5227000     1.106000      ?             ?      
1 1 1 44 26 26 o 0.2769000      1.143000      ?             ?      
1 1 1 44 26 27 o 1.916000       1.131000      ?             ?      
1 1 1 44 26 28 o 1.218000       1.133000      ?             ?      
1 1 1 44 26 29 o -1.135000      1.131000      ?             ?      
1 1 1 44 26 30 o -0.1042000     1.365000      ?             ?      
1 1 1 44 26 31 o -0.1819000     1.353000      ?             ?      
1 1 1 44 26 32 o -0.5885000     1.293000      ?             ?      
1 1 1 44 26 33 o 0.3405000      1.228000      ?             ?      
1 1 1 44 26 34 o 1.048000       1.231000      ?             ?      
1 1 1 44 26 35 o 0.7641000      1.120000      ?             ?      
1 1 1 44 26 36 o -0.5351000E-01 2.407000      ?             ?      
1 1 1 44 27 0  o -0.8333000     1.673000      ?             ?      
1 1 1 44 27 1  o 0.2005000      1.185000      ?             ?      
1 1 1 44 27 2  o 0.3471000      1.270000      ?             ?      
1 1 1 44 27 3  o 0.5692000      1.063000      ?             ?      
1 1 1 44 27 4  o -0.4963000     1.045000      ?             ?      
1 1 1 44 27 5  o 1.234000       1.311000      ?             ?      
1 1 1 44 27 6  o -0.4078000     1.233000      ?             ?      
1 1 1 44 27 7  o -0.1564000     1.077000      ?             ?      
1 1 1 44 27 8  o -1.727000      1.075000      ?             ?      
1 1 1 44 27 9  o 0.3456000      1.023000      ?             ?      
1 1 1 44 27 10 o 1.371000       0.9812000     ?             ?      
1 1 1 44 27 11 o 0.1056000E-01  0.9687000     ?             ?      
1 1 1 44 27 12 o 0.4299000E-01  0.9771000     ?             ?      
1 1 1 44 27 13 o -1.234000      0.9794000     ?             ?      
1 1 1 44 27 14 o 0.2007000      0.9943000     ?             ?      
1 1 1 44 27 15 o -0.8451000     0.9990000     ?             ?      
1 1 1 44 27 16 o 0.3038000      1.065000      ?             ?      
1 1 1 44 27 17 o -2.138000      1.071000      ?             ?      
1 1 1 44 27 18 o 0.7942000      1.082000      ?             ?      
1 1 1 44 27 19 o 0.3420000      1.101000      ?             ?      
1 1 1 44 27 20 o -0.2893000     1.123000      ?             ?      
1 1 1 44 27 21 o -1.502000      1.239000      ?             ?      
1 1 1 44 27 22 o -0.1254000     1.446000      ?             ?      
1 1 1 44 27 23 o -0.5581000     1.251000      ?             ?      
1 1 1 44 27 24 o -1.438000      1.140000      ?             ?      
1 1 1 44 27 25 o 1.210000       1.159000      ?             ?      
1 1 1 44 27 26 o 1.064000       1.122000      ?             ?      
1 1 1 44 27 27 o -1.513000      1.129000      ?             ?      
1 1 1 44 27 28 o -0.9650000E-01 1.131000      ?             ?      
1 1 1 44 27 29 o 0.3612000      1.267000      ?             ?      
1 1 1 44 27 30 o 0.1789000E-01  1.413000      ?             ?      
1 1 1 44 27 31 o 0.1343000      2.188000      ?             ?      
1 1 1 44 27 32 o -0.2828000     1.245000      ?             ?      
1 1 1 44 27 33 o -0.3032000     1.254000      ?             ?      
1 1 1 44 27 34 o -1.080000      1.245000      ?             ?      
1 1 1 44 27 35 o 1.775000       2.489000      ?             ?      
1 1 1 44 27 36 < 0.000000       -1.000000     ?             ?      
1 1 1 44 28 0  o -1.970000      1.669000      ?             ?      
1 1 1 44 28 1  o -3.124000      1.276000      ?             ?      
1 1 1 44 28 2  o -0.1382000     1.293000      ?             ?      
1 1 1 44 28 3  o 0.1802000      1.049000      ?             ?      
1 1 1 44 28 4  o -0.6942000     1.034000      ?             ?      
1 1 1 44 28 5  o -1.097000      1.278000      ?             ?      
1 1 1 44 28 6  o -1.958000      1.230000      ?             ?      
1 1 1 44 28 7  o 0.4269000E-01  1.075000      ?             ?      
1 1 1 44 28 8  o 0.8678000      1.090000      ?             ?      
1 1 1 44 28 9  o 0.7851000      1.026000      ?             ?      
1 1 1 44 28 10 o -0.8056000     1.016000      ?             ?      
1 1 1 44 28 11 o -0.7752000     0.9745000     ?             ?      
1 1 1 44 28 12 o 0.9641000E-01  0.9928000     ?             ?      
1 1 1 44 28 13 o -0.7289000     0.9947000     ?             ?      
1 1 1 44 28 14 o 0.2523000      1.006000      ?             ?      
1 1 1 44 28 15 o -0.8353000     0.9980000     ?             ?      
1 1 1 44 28 16 o -1.012000      1.087000      ?             ?      
1 1 1 44 28 17 o -0.2598000     1.075000      ?             ?      
1 1 1 44 28 18 o -1.551000      1.068000      ?             ?      
1 1 1 44 28 19 o -0.8372000     1.087000      ?             ?      
1 1 1 44 28 20 o -1.585000      1.100000      ?             ?      
1 1 1 44 28 21 o -0.2993000     1.114000      ?             ?      
1 1 1 44 28 22 o -0.2632000     1.140000      ?             ?      
1 1 1 44 28 23 o -0.1046000     1.152000      ?             ?      
1 1 1 44 28 24 o 0.3800000E-02  1.286000      ?             ?      
1 1 1 44 28 25 o 0.7339000      1.472000      ?             ?      
1 1 1 44 28 26 o -1.297000      1.272000      ?             ?      
1 1 1 44 28 27 o -0.5721000     1.149000      ?             ?      
1 1 1 44 28 28 f -0.4678000     1.275000      ?             ?      
1 1 1 44 28 29 o 0.9754000E-01  1.445000      ?             ?      
1 1 1 44 28 30 o 0.5334000      1.437000      ?             ?      
1 1 1 44 28 31 o -1.067000      1.266000      ?             ?      
1 1 1 44 28 32 o 0.6806000      1.273000      ?             ?      
1 1 1 44 28 33 o -1.121000      1.274000      ?             ?      
1 1 1 44 28 34 o 0.4097000      2.153000      ?             ?      
1 1 1 44 28 35 < 0.000000       -1.000000     ?             ?      
1 1 1 44 29 0  o -1.470000      1.693000      ?             ?      
1 1 1 44 29 1  o 1.586000       1.286000      ?             ?      
1 1 1 44 29 2  o -1.086000      1.215000      ?             ?      
1 1 1 44 29 3  o 0.4981000      1.047000      ?             ?      
1 1 1 44 29 4  o -0.6384000     1.038000      ?             ?      
1 1 1 44 29 5  o 0.2711000      1.291000      ?             ?      
1 1 1 44 29 6  o -0.5386000     1.118000      ?             ?      
1 1 1 44 29 7  o 1.524000       1.916000      ?             ?      
1 1 1 44 29 8  o 0.5129000      1.115000      ?             ?      
1 1 1 44 29 9  o -2.520000      1.003000      ?             ?      
1 1 1 44 29 10 o -0.7350000     1.013000      ?             ?      
1 1 1 44 29 11 o 1.336000       1.030000      ?             ?      
1 1 1 44 29 12 o 1.382000       0.9871000     ?             ?      
1 1 1 44 29 13 o -1.343000      0.9893000     ?             ?      
1 1 1 44 29 14 o 1.534000       1.005000      ?             ?      
1 1 1 44 29 15 o -1.155000      1.021000      ?             ?      
1 1 1 44 29 16 o -0.3160000     1.078000      ?             ?      
1 1 1 44 29 17 o 0.9078000      1.099000      ?             ?      
1 1 1 44 29 18 o 0.5189000      1.097000      ?             ?      
1 1 1 44 29 19 o -1.208000      1.106000      ?             ?      
1 1 1 44 29 20 o -1.953000      1.101000      ?             ?      
1 1 1 44 29 21 o 0.6201000      1.112000      ?             ?      
1 1 1 44 29 22 o -0.3825000     1.118000      ?             ?      
1 1 1 44 29 23 o -1.130000      1.141000      ?             ?      
1 1 1 44 29 24 o -1.291000      1.172000      ?             ?      
1 1 1 44 29 25 o 0.4841000      1.163000      ?             ?      
1 1 1 44 29 26 o -0.5324000     1.271000      ?             ?      
1 1 1 44 29 27 o 0.8136000      1.065000      ?             ?      
1 1 1 44 29 28 o 1.388000       1.463000      ?             ?      
1 1 1 44 29 29 o 0.6289000      1.443000      ?             ?      
1 1 1 44 29 30 o -0.4566000     1.287000      ?             ?      
1 1 1 44 29 31 o 0.2431000      1.274000      ?             ?      
1 1 1 44 29 32 o -0.8091000E-01 1.243000      ?             ?      
1 1 1 44 29 33 o 8.547000       4.439000      ?             ?      
1 1 1 44 29 34 < 0.000000       -1.000000     ?             ?      
1 1 1 44 30 0  o -1.638000      1.747000      ?             ?      
1 1 1 44 30 1  o 0.2706000E-01  1.301000      ?             ?      
1 1 1 44 30 2  o -0.5038000     1.219000      ?             ?      
1 1 1 44 30 3  o 0.7026000      1.046000      ?             ?      
1 1 1 44 30 4  o -1.019000      1.046000      ?             ?      
1 1 1 44 30 5  o 0.5060000      1.254000      ?             ?      
1 1 1 44 30 6  o -0.3278000     1.109000      ?             ?      
1 1 1 44 30 7  o -2.352000      1.099000      ?             ?      
1 1 1 44 30 8  o -0.6484000     1.080000      ?             ?      
1 1 1 44 30 9  o 0.7464000      1.032000      ?             ?      
1 1 1 44 30 10 o -0.4733000     1.016000      ?             ?      
1 1 1 44 30 11 o -0.2541000     1.033000      ?             ?      
1 1 1 44 30 12 o 1.169000       1.039000      ?             ?      
1 1 1 44 30 13 o 0.2264000      0.9877000     ?             ?      
1 1 1 44 30 14 o -0.1390000     0.9979000     ?             ?      
1 1 1 44 30 15 o 0.1059000      1.004000      ?             ?      
1 1 1 44 30 16 o 1.001000       1.084000      ?             ?      
1 1 1 44 30 17 o 0.1640000      1.118000      ?             ?      
1 1 1 44 30 18 o 0.7990000      1.113000      ?             ?      
1 1 1 44 30 19 o -0.3400000     1.121000      ?             ?      
1 1 1 44 30 20 o -0.6966000     1.120000      ?             ?      
1 1 1 44 30 21 o 0.2444000      1.123000      ?             ?      
1 1 1 44 30 22 o -0.4940000E-01 1.121000      ?             ?      
1 1 1 44 30 23 o -1.071000      1.161000      ?             ?      
1 1 1 44 30 24 o 0.8603000      1.152000      ?             ?      
1 1 1 44 30 25 o -0.3802000     1.156000      ?             ?      
1 1 1 44 30 26 o -0.3989000     1.159000      ?             ?      
1 1 1 44 30 27 o 0.3675000      1.493000      ?             ?      
1 1 1 44 30 28 o 0.4224000      1.495000      ?             ?      
1 1 1 44 30 29 o -0.7597000     1.303000      ?             ?      
1 1 1 44 30 30 o -0.1093000     1.350000      ?             ?      
1 1 1 44 30 31 o 0.9707000      1.551000      ?             ?      
1 1 1 44 30 32 o -2.276000      1.195000      ?             ?      
1 1 1 44 31 0  o 0.5657000E-01  1.813000      ?             ?      
1 1 1 44 31 1  o -1.601000      1.285000      ?             ?      
1 1 1 44 31 2  o -1.823000      1.087000      ?             ?      
1 1 1 44 31 3  o -0.6117000     1.045000      ?             ?      
1 1 1 44 31 4  o -0.4306000     1.076000      ?             ?      
1 1 1 44 31 5  o -0.9713000     1.263000      ?             ?      
1 1 1 44 31 6  o -0.8309000     1.134000      ?             ?      
1 1 1 44 31 7  o 0.9159000      1.088000      ?             ?      
1 1 1 44 31 8  o -0.4498000     1.096000      ?             ?      
1 1 1 44 31 9  o -0.9907000     1.103000      ?             ?      
1 1 1 44 31 10 o -1.506000      1.029000      ?             ?      
1 1 1 44 31 11 o 0.1465000      1.038000      ?             ?      
1 1 1 44 31 12 o 0.8130000      1.057000      ?             ?      
1 1 1 44 31 13 o 0.8954000      1.063000      ?             ?      
1 1 1 44 31 14 o -0.3060000     1.007000      ?             ?      
1 1 1 44 31 15 o 1.928000       1.030000      ?             ?      
1 1 1 44 31 16 o -0.2194000     1.102000      ?             ?      
1 1 1 44 31 17 o 0.8850000      1.113000      ?             ?      
1 1 1 44 31 18 o -2.037000      1.104000      ?             ?      
1 1 1 44 31 19 o 0.7072000      1.129000      ?             ?      
1 1 1 44 31 20 o 0.9041000      1.138000      ?             ?      
1 1 1 44 31 21 o -0.4140000E-01 1.140000      ?             ?      
1 1 1 44 31 22 o 0.3478000      1.171000      ?             ?      
1 1 1 44 31 23 o 0.5370000      1.143000      ?             ?      
1 1 1 44 31 24 o -2.171000      1.156000      ?             ?      
1 1 1 44 31 25 o 1.088000       1.171000      ?             ?      
1 1 1 44 31 26 o 1.088000       1.067000      ?             ?      
1 1 1 44 31 27 o 0.5022000      1.494000      ?             ?      
1 1 1 44 31 28 o -0.6740000     1.475000      ?             ?      
1 1 1 44 31 29 o 0.8803000      1.202000      ?             ?      
1 1 1 44 31 30 o 0.3859000      1.351000      ?             ?      
1 1 1 44 31 31 o -1.331000      1.699000      ?             ?      
1 1 1 44 32 0  o -0.9853000     1.796000      ?             ?      
1 1 1 44 32 1  o -1.974000      1.088000      ?             ?      
1 1 1 44 32 2  o 1.398000       1.079000      ?             ?      
1 1 1 44 32 3  o 0.6987000      1.054000      ?             ?      
1 1 1 44 32 4  o 1.833000       1.319000      ?             ?      
1 1 1 44 32 5  o 1.987000       1.266000      ?             ?      
1 1 1 44 32 6  o -0.9401000     1.097000      ?             ?      
1 1 1 44 32 7  o 0.3955000      1.121000      ?             ?      
1 1 1 44 32 8  o 1.357000       1.116000      ?             ?      
1 1 1 44 32 9  o -0.7740000     1.113000      ?             ?      
1 1 1 44 32 10 o -0.8883000     1.047000      ?             ?      
1 1 1 44 32 11 o -1.135000      1.057000      ?             ?      
1 1 1 44 32 12 o -1.739000      1.063000      ?             ?      
1 1 1 44 32 13 o 1.237000       1.077000      ?             ?      
1 1 1 44 32 14 o 1.412000       1.089000      ?             ?      
1 1 1 44 32 15 o -0.9685000     1.036000      ?             ?      
1 1 1 44 32 16 o -1.797000      1.122000      ?             ?      
1 1 1 44 32 17 o 0.1988000      1.135000      ?             ?      
1 1 1 44 32 18 o -0.9972000     1.130000      ?             ?      
1 1 1 44 32 19 o -1.413000      1.148000      ?             ?      
1 1 1 44 32 20 o -0.9462000E-01 1.146000      ?             ?      
1 1 1 44 32 21 o -0.4763000     1.180000      ?             ?      
1 1 1 44 32 22 o 0.3819000E-01  1.172000      ?             ?      
1 1 1 44 32 23 o -1.198000      1.177000      ?             ?      
1 1 1 44 32 24 o -0.5206000     1.198000      ?             ?      
1 1 1 44 32 25 o -0.4338000     1.071000      ?             ?      
1 1 1 44 32 26 o 0.7634000      1.531000      ?             ?      
1 1 1 44 32 27 o 0.3498000      1.084000      ?             ?      
1 1 1 44 32 28 o -0.1002000     1.227000      ?             ?      
1 1 1 44 32 29 o -0.7628000     1.607000      ?             ?      
1 1 1 44 32 30 o 0.1278000      1.992000      ?             ?      
1 1 1 44 33 0  o -2.749000      1.791000      ?             ?      
1 1 1 44 33 1  o -1.932000      1.165000      ?             ?      
1 1 1 44 33 2  o -0.2569000     1.061000      ?             ?      
1 1 1 44 33 3  o -0.6336000     1.053000      ?             ?      
1 1 1 44 33 4  o -0.6846000     1.307000      ?             ?      
1 1 1 44 33 5  o 0.6173000      1.118000      ?             ?      
1 1 1 44 33 6  o 1.277000       1.113000      ?             ?      
1 1 1 44 33 7  o -2.054000      1.126000      ?             ?      
1 1 1 44 33 8  o -1.794000      1.100000      ?             ?      
1 1 1 44 33 9  o -0.4558000E-02 1.114000      ?             ?      
1 1 1 44 33 10 o -1.558000      1.054000      ?             ?      
1 1 1 44 33 11 o -0.6081000     1.068000      ?             ?      
1 1 1 44 33 12 o 0.7521000E-01  1.080000      ?             ?      
1 1 1 44 33 13 o -1.189000      1.095000      ?             ?      
1 1 1 44 33 14 o -0.6279000     1.100000      ?             ?      
1 1 1 44 33 15 o -1.870000      1.128000      ?             ?      
1 1 1 44 33 16 o -0.2444000E-01 1.130000      ?             ?      
1 1 1 44 33 17 o -1.823000      1.137000      ?             ?      
1 1 1 44 33 18 o 0.4716000      1.162000      ?             ?      
1 1 1 44 33 19 o 1.419000       1.143000      ?             ?      
1 1 1 44 33 20 o 1.717000       1.179000      ?             ?      
1 1 1 44 33 21 o -0.4770000E-01 1.175000      ?             ?      
1 1 1 44 33 22 o 1.094000       2.164000      ?             ?      
1 1 1 44 33 23 o -1.349000      1.185000      ?             ?      
1 1 1 44 33 24 o 0.5971000      2.194000      ?             ?      
1 1 1 44 33 25 o 1.465000       1.628000      ?             ?      
1 1 1 44 33 26 o 0.1958000      1.640000      ?             ?      
1 1 1 44 33 27 o -0.9980000     1.538000      ?             ?      
1 1 1 44 33 28 o -0.9611000     1.600000      ?             ?      
1 1 1 44 34 0  o 1.003000       1.430000      ?             ?      
1 1 1 44 34 1  o 0.4883000      1.131000      ?             ?      
1 1 1 44 34 2  o 0.8462000      1.074000      ?             ?      
1 1 1 44 34 3  o 0.1004000      1.069000      ?             ?      
1 1 1 44 34 4  o 1.347000       1.183000      ?             ?      
1 1 1 44 34 5  o -1.471000      1.112000      ?             ?      
1 1 1 44 34 6  o -0.4880000     1.117000      ?             ?      
1 1 1 44 34 7  o 1.034000       1.136000      ?             ?      
1 1 1 44 34 8  o 0.6890000      1.138000      ?             ?      
1 1 1 44 34 9  o 0.9645000      1.127000      ?             ?      
1 1 1 44 34 10 o -0.5992000     1.061000      ?             ?      
1 1 1 44 34 11 o -1.057000      1.070000      ?             ?      
1 1 1 44 34 12 o 1.030000       1.101000      ?             ?      
1 1 1 44 34 13 o 0.9509000      1.985000      ?             ?      
1 1 1 44 34 14 o 0.4883000      1.120000      ?             ?      
1 1 1 44 34 15 o -0.9722000     1.138000      ?             ?      
1 1 1 44 34 16 o -0.5807000     1.242000      ?             ?      
1 1 1 44 34 17 o -0.8277000     1.143000      ?             ?      
1 1 1 44 34 18 o -0.6008000     1.158000      ?             ?      
1 1 1 44 34 19 o 0.8625000      1.177000      ?             ?      
1 1 1 44 34 20 o -1.159000      1.178000      ?             ?      
1 1 1 44 34 21 o 0.1958000      1.190000      ?             ?      
1 1 1 44 34 22 o 1.841000       1.196000      ?             ?      
1 1 1 44 34 23 o -1.671000      1.206000      ?             ?      
1 1 1 44 34 24 o -1.995000      1.616000      ?             ?      
1 1 1 44 34 25 o 4.155000       4.315000      ?             ?      
1 1 1 44 34 26 o 1.093000       2.259000      ?             ?      
1 1 1 44 34 27 < 0.000000       -1.000000     ?             ?      
1 1 1 44 35 0  o -0.7438000     1.432000      ?             ?      
1 1 1 44 35 1  o 0.3619000      1.233000      ?             ?      
1 1 1 44 35 2  o 0.3829000      1.090000      ?             ?      
1 1 1 44 35 3  o -0.4261000     1.070000      ?             ?      
1 1 1 44 35 4  o 1.229000       1.207000      ?             ?      
1 1 1 44 35 5  o -0.6385000     1.127000      ?             ?      
1 1 1 44 35 6  o 0.9353000      1.125000      ?             ?      
1 1 1 44 35 7  o -1.509000      1.137000      ?             ?      
1 1 1 44 35 8  o -0.7266000E-01 1.140000      ?             ?      
1 1 1 44 35 9  o 0.4116000      1.168000      ?             ?      
1 1 1 44 35 10 o 0.9130000      1.078000      ?             ?      
1 1 1 44 35 11 o -1.134000      1.077000      ?             ?      
1 1 1 44 35 12 o -0.5963000     0.9825000     ?             ?      
1 1 1 44 35 13 o -1.575000      1.132000      ?             ?      
1 1 1 44 35 14 o -0.4287000     1.127000      ?             ?      
1 1 1 44 35 15 o -0.2659000     1.125000      ?             ?      
1 1 1 44 35 16 o -0.4038000     1.263000      ?             ?      
1 1 1 44 35 17 o -0.5641000     1.008000      ?             ?      
1 1 1 44 35 18 o -0.1537000     1.168000      ?             ?      
1 1 1 44 35 19 o 0.2901000      1.184000      ?             ?      
1 1 1 44 35 20 o -0.2811000     1.193000      ?             ?      
1 1 1 44 35 21 o -0.6446000     1.181000      ?             ?      
1 1 1 44 35 22 o 0.6324000      1.224000      ?             ?      
1 1 1 44 35 23 o -0.6415000     2.226000      ?             ?      
1 1 1 44 35 24 o -1.914000      2.192000      ?             ?      
1 1 1 44 35 25 < 0.000000       -1.000000     ?             ?      
1 1 1 44 36 0  o 0.2119000      1.425000      ?             ?      
1 1 1 44 36 1  o 0.9665000      1.128000      ?             ?      
1 1 1 44 36 2  o -0.9024000     1.137000      ?             ?      
1 1 1 44 36 3  o 0.6196000      1.050000      ?             ?      
1 1 1 44 36 4  o 1.503000       1.204000      ?             ?      
1 1 1 44 36 5  o -0.6611000E-01 1.123000      ?             ?      
1 1 1 44 36 6  o 1.881000       1.130000      ?             ?      
1 1 1 44 36 7  o 0.5337000      1.138000      ?             ?      
1 1 1 44 36 8  o 0.3885000      1.152000      ?             ?      
1 1 1 44 36 9  o 1.329000       1.190000      ?             ?      
1 1 1 44 36 10 o -0.7587000     1.177000      ?             ?      
1 1 1 44 36 11 o -1.244000      1.097000      ?             ?      
1 1 1 44 36 12 o -0.2148000     1.111000      ?             ?      
1 1 1 44 36 13 o 0.5484000E-01  1.121000      ?             ?      
1 1 1 44 36 14 o 0.3864000      1.150000      ?             ?      
1 1 1 44 36 15 o -2.480000      1.149000      ?             ?      
1 1 1 44 36 16 o -0.5940000     1.292000      ?             ?      
1 1 1 44 36 17 o 1.117000       1.313000      ?             ?      
1 1 1 44 36 18 o 0.4974000E-01  1.304000      ?             ?      
1 1 1 44 36 19 o 0.8645000      1.188000      ?             ?      
1 1 1 44 36 20 o 0.6219000E-01  1.198000      ?             ?      
1 1 1 44 36 21 o 3.058000       3.046000      ?             ?      
1 1 1 44 36 22 o -5.685000      4.236000      ?             ?      
1 1 1 44 36 23 o 1.648000       1.116000      ?             ?      
1 1 1 44 37 0  o 0.1408000      1.436000      ?             ?      
1 1 1 44 37 1  o -1.541000      1.115000      ?             ?      
1 1 1 44 37 2  o 0.8759000      1.129000      ?             ?      
1 1 1 44 37 3  o -0.6482000     1.062000      ?             ?      
1 1 1 44 37 4  o -0.6255000     1.151000      ?             ?      
1 1 1 44 37 5  o 0.8480000      1.139000      ?             ?      
1 1 1 44 37 6  o -0.3128000E-02 1.166000      ?             ?      
1 1 1 44 37 7  o 0.3242000      1.168000      ?             ?      
1 1 1 44 37 8  o -0.2482000E-01 1.172000      ?             ?      
1 1 1 44 37 9  o 0.2377000      1.184000      ?             ?      
1 1 1 44 37 10 o 1.892000       1.192000      ?             ?      
1 1 1 44 37 11 o -0.9463000     1.104000      ?             ?      
1 1 1 44 37 12 o -0.8015000     1.116000      ?             ?      
1 1 1 44 37 13 o -0.2418000     1.238000      ?             ?      
1 1 1 44 37 14 o 1.132000       1.261000      ?             ?      
1 1 1 44 37 15 o -0.3777000     1.179000      ?             ?      
1 1 1 44 37 16 o -0.6107000     1.215000      ?             ?      
1 1 1 44 37 17 o 0.2497000      1.317000      ?             ?      
1 1 1 44 37 18 o 0.9247000      1.354000      ?             ?      
1 1 1 44 37 19 o 0.9219000      1.620000      ?             ?      
1 1 1 44 37 20 o -1.303000      1.596000      ?             ?      
1 1 1 44 37 21 o 1.332000       1.363000      ?             ?      
1 1 1 44 38 0  o -0.5294000     1.438000      ?             ?      
1 1 1 44 38 1  o -0.2618000     1.117000      ?             ?      
1 1 1 44 38 2  o 0.3548000      1.106000      ?             ?      
1 1 1 44 38 3  o -0.2414000     1.141000      ?             ?      
1 1 1 44 38 4  o 0.4940000      1.168000      ?             ?      
1 1 1 44 38 5  o -1.043000      1.160000      ?             ?      
1 1 1 44 38 6  o 0.7640000      1.178000      ?             ?      
1 1 1 44 38 7  o -0.4042000     1.188000      ?             ?      
1 1 1 44 38 8  o 0.4219000      1.194000      ?             ?      
1 1 1 44 38 9  o 0.4542000      1.209000      ?             ?      
1 1 1 44 38 10 o -1.519000      1.232000      ?             ?      
1 1 1 44 38 11 o 0.2823000      1.214000      ?             ?      
1 1 1 44 38 12 o 0.7063000      1.145000      ?             ?      
1 1 1 44 38 13 o -0.1442000     1.148000      ?             ?      
1 1 1 44 38 14 o -1.575000      1.159000      ?             ?      
1 1 1 44 38 15 o -1.774000      1.198000      ?             ?      
1 1 1 44 38 16 o -0.7909000     1.632000      ?             ?      
1 1 1 44 38 17 o 1.809000       3.022000      ?             ?      
1 1 1 44 38 18 o 2.075000       1.615000      ?             ?      
1 1 1 44 39 0  o 1.386000       1.442000      ?             ?      
1 1 1 44 39 1  o 1.366000       1.136000      ?             ?      
1 1 1 44 39 2  o 1.623000       1.357000      ?             ?      
1 1 1 44 39 3  o 1.435000       1.145000      ?             ?      
1 1 1 44 39 4  o -0.2513000     1.184000      ?             ?      
1 1 1 44 39 5  o -1.172000      1.178000      ?             ?      
1 1 1 44 39 6  o -0.6117000     1.184000      ?             ?      
1 1 1 44 39 7  o -2.418000      1.195000      ?             ?      
1 1 1 44 39 8  o -0.4874000     1.224000      ?             ?      
1 1 1 44 39 9  o 1.267000       1.231000      ?             ?      
1 1 1 44 39 10 o -0.7444000E-01 1.250000      ?             ?      
1 1 1 44 39 11 o 1.341000       1.145000      ?             ?      
1 1 1 44 39 12 o -0.2485000     1.054000      ?             ?      
1 1 1 44 39 13 o 0.9896000      1.314000      ?             ?      
1 1 1 44 39 14 o 0.2491000E-01  1.619000      ?             ?      
1 1 1 44 39 15 o -4.554000      3.031000      ?             ?      
1 1 1 44 39 16 < 0.000000       -1.000000     ?             ?      
1 1 1 44 40 0  o -0.3247000     1.445000      ?             ?      
1 1 1 44 40 1  o 0.7673000      1.030000      ?             ?      
1 1 1 44 40 2  o 0.5332000      0.9805000     ?             ?      
1 1 1 44 40 3  o 0.2133000      1.251000      ?             ?      
1 1 1 44 40 4  o -0.7493000     1.197000      ?             ?      
1 1 1 44 40 5  o -0.4591000     1.193000      ?             ?      
1 1 1 44 40 6  o 0.3280000      1.200000      ?             ?      
1 1 1 44 40 7  o -1.152000      1.202000      ?             ?      
1 1 1 44 40 8  o 1.152000       1.237000      ?             ?      
1 1 1 44 40 9  o 1.065000       1.547000      ?             ?      
1 1 1 44 40 10 o -0.4699000     1.565000      ?             ?      
1 1 1 44 40 11 o -4.548000      2.864000      ?             ?      
1 1 1 44 40 12 < 0.000000       -1.000000     ?             ?      
1 1 1 44 41 0  o 1.554000       1.606000      ?             ?      
1 1 1 44 41 1  o -0.8424000     1.183000      ?             ?      
1 1 1 44 41 2  o 0.3297000      1.167000      ?             ?      
1 1 1 44 41 3  o -1.882000      1.562000      ?             ?      
1 1 1 44 41 4  o -0.3023000     2.190000      ?             ?      
1 1 1 44 41 5  < 0.000000       -1.000000     ?             ?      
1 1 1 44 41 6  < 0.000000       -1.000000     ?             ?      
1 1 1 45 0  1  o -1.045000      1.791000      ?             ?      
1 1 1 45 0  2  o 0.8254000      1.775000      ?             ?      
1 1 1 45 0  3  o -2.606000      1.771000      ?             ?      
1 1 1 45 0  4  o -1.386000      1.764000      ?             ?      
1 1 1 45 0  5  o -1.228000      1.739000      ?             ?      
1 1 1 45 0  6  o 0.4588000      1.724000      ?             ?      
1 1 1 45 0  7  o -0.8026000     1.829000      ?             ?      
1 1 1 45 0  8  o 1.504000       1.548000      ?             ?      
1 1 1 45 0  9  o -0.1666000     1.554000      ?             ?      
1 1 1 45 0  10 o -0.8897000     1.355000      ?             ?      
1 1 1 45 0  11 o 2.122000       1.357000      ?             ?      
1 1 1 45 0  12 o -0.7767000E-01 1.346000      ?             ?      
1 1 1 45 0  13 o 0.5388000E-01  1.355000      ?             ?      
1 1 1 45 0  14 o -0.7791000E-01 1.345000      ?             ?      
1 1 1 45 0  15 o 0.3654000      1.335000      ?             ?      
1 1 1 45 0  16 o 0.8546000      1.358000      ?             ?      
1 1 1 45 0  17 o -1.490000      1.578000      ?             ?      
1 1 1 45 0  18 o -0.3759000     1.358000      ?             ?      
1 1 1 45 0  19 o -0.3908000E-01 1.341000      ?             ?      
1 1 1 45 0  20 o -0.6286000     1.356000      ?             ?      
1 1 1 45 0  21 o 0.9697000      1.345000      ?             ?      
1 1 1 45 0  22 o -0.4294000E-01 1.303000      ?             ?      
1 1 1 45 0  23 o 1.718000       1.293000      ?             ?      
1 1 1 45 0  24 o -1.029000      1.264000      ?             ?      
1 1 1 45 0  25 o 0.3713000      1.263000      ?             ?      
1 1 1 45 0  26 o -0.1015000E-01 1.254000      ?             ?      
1 1 1 45 0  27 o 0.3030000      1.254000      ?             ?      
1 1 1 45 0  28 o -0.1297000     1.243000      ?             ?      
1 1 1 45 0  29 o 0.3446000      1.248000      ?             ?      
1 1 1 45 0  30 o -1.915000      1.248000      ?             ?      
1 1 1 45 0  31 o 0.5048000      1.257000      ?             ?      
1 1 1 45 0  32 o -0.4909000     1.405000      ?             ?      
1 1 1 45 0  33 o -1.662000      1.482000      ?             ?      
1 1 1 45 0  34 o -0.6848000     1.338000      ?             ?      
1 1 1 45 0  35 o 0.5649000E-01  1.326000      ?             ?      
1 1 1 45 0  36 o -2.312000      1.355000      ?             ?      
1 1 1 45 0  37 o -0.3916000     1.275000      ?             ?      
1 1 1 45 0  38 o -0.6985000     1.271000      ?             ?      
1 1 1 45 0  39 o -2.041000      1.317000      ?             ?      
1 1 1 45 0  40 o -1.607000      1.746000      ?             ?      
1 1 1 45 0  41 o -1.389000      1.813000      ?             ?      
1 1 1 45 0  42 o 0.7402000      1.484000      ?             ?      
1 1 1 45 0  43 o -1.130000      1.595000      ?             ?      
1 1 1 45 0  44 o 0.1036000      1.576000      ?             ?      
1 1 1 45 0  45 o 0.5768000      1.609000      ?             ?      
1 1 1 45 1  0  o 0.8366000      1.784000      ?             ?      
1 1 1 45 1  1  o -2.187000      1.264000      ?             ?      
1 1 1 45 1  2  o -1.622000      1.250000      ?             ?      
1 1 1 45 1  3  o 0.6411000      1.244000      ?             ?      
1 1 1 45 1  4  o 0.1072000E-01  1.239000      ?             ?      
1 1 1 45 1  5  o -0.4232000     1.230000      ?             ?      
1 1 1 45 1  6  o -1.002000      1.212000      ?             ?      
1 1 1 45 1  7  o -1.511000      1.257000      ?             ?      
1 1 1 45 1  8  o -0.9422000     1.089000      ?             ?      
1 1 1 45 1  9  o -0.4087000     1.026000      ?             ?      
1 1 1 45 1  10 o -0.9435000     1.022000      ?             ?      
1 1 1 45 1  11 o 0.1663000      0.9555000     ?             ?      
1 1 1 45 1  12 o -0.1450000     0.9538000     ?             ?      
1 1 1 45 1  13 o -0.1857000     0.9617000     ?             ?      
1 1 1 45 1  14 o -2.348000      0.9550000     ?             ?      
1 1 1 45 1  15 o -1.314000      0.9509000     ?             ?      
1 1 1 45 1  16 o 0.2742000      1.046000      ?             ?      
1 1 1 45 1  17 o -0.4726000     1.011000      ?             ?      
1 1 1 45 1  18 o -0.3630000     0.9759000     ?             ?      
1 1 1 45 1  19 o -1.123000      0.9587000     ?             ?      
1 1 1 45 1  20 o 0.4168000      0.9574000     ?             ?      
1 1 1 45 1  21 o -0.9611000     0.9412000     ?             ?      
1 1 1 45 1  22 o 0.1811000      0.9270000     ?             ?      
1 1 1 45 1  23 o 1.108000       0.9147000     ?             ?      
1 1 1 45 1  24 o 0.2717000      0.9009000     ?             ?      
1 1 1 45 1  25 o 0.8492000      0.8973000     ?             ?      
1 1 1 45 1  26 o -1.246000      0.8903000     ?             ?      
1 1 1 45 1  27 o 0.1159000      0.8891000     ?             ?      
1 1 1 45 1  28 o 0.1819000E-01  0.8824000     ?             ?      
1 1 1 45 1  29 o 0.8923000      0.8812000     ?             ?      
1 1 1 45 1  30 o -1.910000      0.9349000     ?             ?      
1 1 1 45 1  31 o -1.410000      0.9622000     ?             ?      
1 1 1 45 1  32 o -0.5630000     0.9209000     ?             ?      
1 1 1 45 1  33 o 0.9309000E-01  0.9152000     ?             ?      
1 1 1 45 1  34 o -0.3828000     0.8931000     ?             ?      
1 1 1 45 1  35 o -0.5449000     0.9351000     ?             ?      
1 1 1 45 1  36 o -0.6181000     0.9615000     ?             ?      
1 1 1 45 1  37 o -0.4871000E-01 0.9192000     ?             ?      
1 1 1 45 1  38 o -0.5772000     0.9209000     ?             ?      
1 1 1 45 1  39 o 0.7234000E-03  1.092000      ?             ?      
1 1 1 45 1  40 o 0.6006000      1.240000      ?             ?      
1 1 1 45 1  41 o 0.2124000      1.374000      ?             ?      
1 1 1 45 1  42 o 0.9029000      1.497000      ?             ?      
1 1 1 45 1  43 o -0.7051000     1.168000      ?             ?      
1 1 1 45 1  44 o 0.4918000      1.185000      ?             ?      
1 1 1 45 1  45 o 1.262000       1.612000      ?             ?      
1 1 1 45 2  0  o -0.1750000     1.784000      ?             ?      
1 1 1 45 2  1  o -0.5745000     1.261000      ?             ?      
1 1 1 45 2  2  o 1.978000       1.276000      ?             ?      
1 1 1 45 2  3  o -0.6219000     1.250000      ?             ?      
1 1 1 45 2  4  o 2.284000       1.245000      ?             ?      
1 1 1 45 2  5  o 0.1753000      1.230000      ?             ?      
1 1 1 45 2  6  o 0.5712000      1.216000      ?             ?      
1 1 1 45 2  7  o 0.2405000      1.070000      ?             ?      
1 1 1 45 2  8  o -1.415000      1.014000      ?             ?      
1 1 1 45 2  9  o 0.9802000      1.022000      ?             ?      
1 1 1 45 2  10 o -0.7738000     1.014000      ?             ?      
1 1 1 45 2  11 o 0.1964000      1.017000      ?             ?      
1 1 1 45 2  12 o -0.6693000     0.9601000     ?             ?      
1 1 1 45 2  13 o 1.013000       0.9670000     ?             ?      
1 1 1 45 2  14 o -0.8212000     0.9673000     ?             ?      
1 1 1 45 2  15 o 0.3767000      0.9653000     ?             ?      
1 1 1 45 2  16 o 1.501000       1.019000      ?             ?      
1 1 1 45 2  17 o -0.4592000     0.9967000     ?             ?      
1 1 1 45 2  18 o 1.390000       1.032000      ?             ?      
1 1 1 45 2  19 o -0.4927000     0.9633000     ?             ?      
1 1 1 45 2  20 o 0.1335000      0.9390000     ?             ?      
1 1 1 45 2  21 f -0.4940000     0.9434000     ?             ?      
1 1 1 45 2  22 o -0.7529000     0.9326000     ?             ?      
1 1 1 45 2  23 o -0.7398000     0.9155000     ?             ?      
1 1 1 45 2  24 o 0.3804000      0.9024000     ?             ?      
1 1 1 45 2  25 o 1.148000       0.8989000     ?             ?      
1 1 1 45 2  26 o -1.578000      0.8928000     ?             ?      
1 1 1 45 2  27 o -1.218000      0.9418000     ?             ?      
1 1 1 45 2  28 o -0.2560000     0.9441000     ?             ?      
1 1 1 45 2  29 o -0.9794000     0.9102000     ?             ?      
1 1 1 45 2  30 o -0.6378000     0.9156000     ?             ?      
1 1 1 45 2  31 o -1.455000      0.9147000     ?             ?      
1 1 1 45 2  32 o -1.286000      0.8860000     ?             ?      
1 1 1 45 2  33 o 1.407000       0.8884000     ?             ?      
1 1 1 45 2  34 o -0.8041000     0.8860000     ?             ?      
1 1 1 45 2  35 o -0.6591000     0.8867000     ?             ?      
1 1 1 45 2  36 o 0.3547000      0.8941000     ?             ?      
1 1 1 45 2  37 o 0.7887000      0.9320000     ?             ?      
1 1 1 45 2  38 o -0.8113000     0.9765000     ?             ?      
1 1 1 45 2  39 o 0.5156000      1.108000      ?             ?      
1 1 1 45 2  40 o 1.208000       1.356000      ?             ?      
1 1 1 45 2  41 o 0.5909000E-01  1.553000      ?             ?      
1 1 1 45 2  42 o 0.6970000      1.511000      ?             ?      
1 1 1 45 2  43 o -1.761000      1.712000      ?             ?      
1 1 1 45 2  44 o 0.1633000      1.184000      ?             ?      
1 1 1 45 2  45 o -0.6665000     1.451000      ?             ?      
1 1 1 45 3  0  o -0.2441000     1.777000      ?             ?      
1 1 1 45 3  1  o -0.4720000     1.256000      ?             ?      
1 1 1 45 3  2  o -1.247000      1.256000      ?             ?      
1 1 1 45 3  3  o -0.8896000     1.244000      ?             ?      
1 1 1 45 3  4  o -0.1458000     1.232000      ?             ?      
1 1 1 45 3  5  o 0.1079000      1.230000      ?             ?      
1 1 1 45 3  6  o -0.1156000     1.187000      ?             ?      
1 1 1 45 3  7  o 0.2664000      1.046000      ?             ?      
1 1 1 45 3  8  o -1.183000      0.9914000     ?             ?      
1 1 1 45 3  9  o -0.1003000     1.015000      ?             ?      
1 1 1 45 3  10 o -1.042000      1.016000      ?             ?      
1 1 1 45 3  11 o 2.649000       1.018000      ?             ?      
1 1 1 45 3  12 o -1.851000      1.022000      ?             ?      
1 1 1 45 3  13 o 0.5107000      0.9608000     ?             ?      
1 1 1 45 3  14 o -0.1734000     0.9562000     ?             ?      
1 1 1 45 3  15 o -0.3629000     1.064000      ?             ?      
1 1 1 45 3  16 o 0.6028000      1.021000      ?             ?      
1 1 1 45 3  17 o 0.3816000      1.003000      ?             ?      
1 1 1 45 3  18 o -0.3061000E-01 1.001000      ?             ?      
1 1 1 45 3  19 o 0.8306000      0.9743000     ?             ?      
1 1 1 45 3  20 o -0.6472000     0.9397000     ?             ?      
1 1 1 45 3  21 o 0.2376000      0.9314000     ?             ?      
1 1 1 45 3  22 o -0.7650000     0.9341000     ?             ?      
1 1 1 45 3  23 o 1.101000       0.9208000     ?             ?      
1 1 1 45 3  24 o -0.6033000     0.8984000     ?             ?      
1 1 1 45 3  25 o 0.3537000      0.9683000     ?             ?      
1 1 1 45 3  26 o -0.3124000     0.9802000     ?             ?      
1 1 1 45 3  27 o -0.1525000     0.9155000     ?             ?      
1 1 1 45 3  28 o -1.028000      0.9112000     ?             ?      
1 1 1 45 3  29 o -0.3822000     0.8851000     ?             ?      
1 1 1 45 3  30 o 0.4125000      0.8852000     ?             ?      
1 1 1 45 3  31 o -2.135000      0.8808000     ?             ?      
1 1 1 45 3  32 o -0.6692000     0.8835000     ?             ?      
1 1 1 45 3  33 o -1.060000      0.8825000     ?             ?      
1 1 1 45 3  34 o -0.5330000     0.8840000     ?             ?      
1 1 1 45 3  35 o -1.268000      0.8928000     ?             ?      
1 1 1 45 3  36 o -0.1603000     0.8932000     ?             ?      
1 1 1 45 3  37 o -1.549000      0.8882000     ?             ?      
1 1 1 45 3  38 o -0.1863000     0.9102000     ?             ?      
1 1 1 45 3  39 o -1.037000      1.086000      ?             ?      
1 1 1 45 3  40 o -0.4285000     1.382000      ?             ?      
1 1 1 45 3  41 o 0.3763000E-01  1.683000      ?             ?      
1 1 1 45 3  42 o -5.640000      3.172000      ?             ?      
1 1 1 45 3  43 o 0.3190000      1.575000      ?             ?      
1 1 1 45 3  44 o 0.3862000      1.384000      ?             ?      
1 1 1 45 3  45 o -0.1686000E-01 1.157000      ?             ?      
1 1 1 45 4  0  f -0.3075000     1.769000      ?             ?      
1 1 1 45 4  1  o 0.5092000      1.255000      ?             ?      
1 1 1 45 4  2  o -0.7335000     1.243000      ?             ?      
1 1 1 45 4  3  o -1.346000      1.224000      ?             ?      
1 1 1 45 4  4  o -0.4448000     1.144000      ?             ?      
1 1 1 45 4  5  o -1.738000      1.132000      ?             ?      
1 1 1 45 4  6  o -1.609000      1.184000      ?             ?      
1 1 1 45 4  7  o -1.335000      1.043000      ?             ?      
1 1 1 45 4  8  o 0.2755000      0.9982000     ?             ?      
1 1 1 45 4  9  o -0.3768000     1.013000      ?             ?      
1 1 1 45 4  10 o 0.3218000      1.011000      ?             ?      
1 1 1 45 4  11 o 0.8502000      1.011000      ?             ?      
1 1 1 45 4  12 o 0.9186000      1.015000      ?             ?      
1 1 1 45 4  13 o -0.5829000     1.007000      ?             ?      
1 1 1 45 4  14 o -0.1641000     0.9761000     ?             ?      
1 1 1 45 4  15 o -0.1574000     1.029000      ?             ?      
1 1 1 45 4  16 o 0.3986000      1.014000      ?             ?      
1 1 1 45 4  17 o -0.6743000     1.002000      ?             ?      
1 1 1 45 4  18 o 1.238000       1.001000      ?             ?      
1 1 1 45 4  19 o 0.9577000      1.004000      ?             ?      
1 1 1 45 4  20 o -0.7528000     0.9534000     ?             ?      
1 1 1 45 4  21 o 0.6279000      0.9297000     ?             ?      
1 1 1 45 4  22 o -0.7269000     0.9958000     ?             ?      
1 1 1 45 4  23 o 0.1388000      1.002000      ?             ?      
1 1 1 45 4  24 o 2.000000       0.9460000     ?             ?      
1 1 1 45 4  25 o 0.9508000      0.9772000     ?             ?      
1 1 1 45 4  26 o 1.367000       0.9247000     ?             ?      
1 1 1 45 4  27 o 0.6505000      0.8934000     ?             ?      
1 1 1 45 4  28 o -0.7249000     0.8853000     ?             ?      
1 1 1 45 4  29 o 0.5164000      0.8875000     ?             ?      
1 1 1 45 4  30 o -0.8998000     0.8786000     ?             ?      
1 1 1 45 4  31 o -0.2192000     0.8803000     ?             ?      
1 1 1 45 4  32 o 1.559000       0.8811000     ?             ?      
1 1 1 45 4  33 o 0.9076000      0.8916000     ?             ?      
1 1 1 45 4  34 o -0.2457000     0.8934000     ?             ?      
1 1 1 45 4  35 o -0.7320000     0.9012000     ?             ?      
1 1 1 45 4  36 o 0.2569000      0.8903000     ?             ?      
1 1 1 45 4  37 o 0.2897000E-01  0.9016000     ?             ?      
1 1 1 45 4  38 o 0.6770000      0.9298000     ?             ?      
1 1 1 45 4  39 o -0.2525000     1.213000      ?             ?      
1 1 1 45 4  40 o 2.388000       1.280000      ?             ?      
1 1 1 45 4  41 o -0.3802000     1.415000      ?             ?      
1 1 1 45 4  42 o -1.536000      1.721000      ?             ?      
1 1 1 45 4  43 o -1.942000      1.103000      ?             ?      
1 1 1 45 4  44 o -0.7883000     1.407000      ?             ?      
1 1 1 45 4  45 o 0.8944000      1.123000      ?             ?      
1 1 1 45 5  0  o 0.4680000E-02  1.712000      ?             ?      
1 1 1 45 5  1  o 1.459000       1.238000      ?             ?      
1 1 1 45 5  2  o -1.602000      1.136000      ?             ?      
1 1 1 45 5  3  o -1.564000      1.130000      ?             ?      
1 1 1 45 5  4  o -1.709000      1.139000      ?             ?      
1 1 1 45 5  5  o -1.330000      1.184000      ?             ?      
1 1 1 45 5  6  o 0.5482000      1.424000      ?             ?      
1 1 1 45 5  7  o -0.6179000     1.037000      ?             ?      
1 1 1 45 5  8  o -1.110000      0.9887000     ?             ?      
1 1 1 45 5  9  o -0.7417000     0.9891000     ?             ?      
1 1 1 45 5  10 o 0.4266000      1.012000      ?             ?      
1 1 1 45 5  11 o -0.5385000     1.006000      ?             ?      
1 1 1 45 5  12 o -1.574000      1.000000      ?             ?      
1 1 1 45 5  13 o -0.6906000     1.004000      ?             ?      
1 1 1 45 5  14 o -2.498000      1.096000      ?             ?      
1 1 1 45 5  15 o 0.1473000      1.017000      ?             ?      
1 1 1 45 5  16 o -0.9515000     1.005000      ?             ?      
1 1 1 45 5  17 o -1.518000      1.071000      ?             ?      
1 1 1 45 5  18 o 0.7440000      0.9997000     ?             ?      
1 1 1 45 5  19 o -0.6679000     0.9901000     ?             ?      
1 1 1 45 5  20 o -0.3172000     1.030000      ?             ?      
1 1 1 45 5  21 o 0.3586000E-01  1.053000      ?             ?      
1 1 1 45 5  22 o -1.516000      0.9609000     ?             ?      
1 1 1 45 5  23 o 0.9527000      0.9573000     ?             ?      
1 1 1 45 5  24 o 0.5277000      0.9257000     ?             ?      
1 1 1 45 5  25 o 0.1818000      0.9063000     ?             ?      
1 1 1 45 5  26 o 0.5002000      0.8979000     ?             ?      
1 1 1 45 5  27 o -0.9068000     0.8883000     ?             ?      
1 1 1 45 5  28 o 0.3447000E-01  0.8915000     ?             ?      
1 1 1 45 5  29 o 0.2538000      0.8926000     ?             ?      
1 1 1 45 5  30 o 0.5584000      0.8823000     ?             ?      
1 1 1 45 5  31 o -1.181000      0.8775000     ?             ?      
1 1 1 45 5  32 o 0.1343000      0.8826000     ?             ?      
1 1 1 45 5  33 o -0.8269000E-01 0.8823000     ?             ?      
1 1 1 45 5  34 o 0.7325000      0.8984000     ?             ?      
1 1 1 45 5  35 o -0.8790000     0.8932000     ?             ?      
1 1 1 45 5  36 o 0.2394000      0.9036000     ?             ?      
1 1 1 45 5  37 o 0.4500000      0.9468000     ?             ?      
1 1 1 45 5  38 o -0.7773000     1.226000      ?             ?      
1 1 1 45 5  39 o 1.847000       1.254000      ?             ?      
1 1 1 45 5  40 o -1.162000      1.173000      ?             ?      
1 1 1 45 5  41 o 0.2853000      1.678000      ?             ?      
1 1 1 45 5  42 o -0.6437000     1.420000      ?             ?      
1 1 1 45 5  43 o -0.4634000     1.109000      ?             ?      
1 1 1 45 5  44 o 0.4349000      1.081000      ?             ?      
1 1 1 45 5  45 o 2.362000       1.406000      ?             ?      
1 1 1 45 6  0  o -3.400000      1.425000      ?             ?      
1 1 1 45 6  1  o 0.4978000      1.013000      ?             ?      
1 1 1 45 6  2  o 0.3683000      1.013000      ?             ?      
1 1 1 45 6  3  o -0.4000000     1.125000      ?             ?      
1 1 1 45 6  4  o 0.1461000      1.123000      ?             ?      
1 1 1 45 6  5  o -1.262000      1.033000      ?             ?      
1 1 1 45 6  6  o -0.4546000E-01 1.028000      ?             ?      
1 1 1 45 6  7  o -0.1979000     1.029000      ?             ?      
1 1 1 45 6  8  o 1.867000       0.9922000     ?             ?      
1 1 1 45 6  9  o -0.1129000     0.9788000     ?             ?      
1 1 1 45 6  10 o -0.7738000     1.001000      ?             ?      
1 1 1 45 6  11 o -0.8559000     0.9965000     ?             ?      
1 1 1 45 6  12 o 0.2436000      0.9924000     ?             ?      
1 1 1 45 6  13 o 1.147000       1.017000      ?             ?      
1 1 1 45 6  14 o 0.4694000      1.058000      ?             ?      
1 1 1 45 6  15 o 1.609000       1.012000      ?             ?      
1 1 1 45 6  16 o -0.4670000     1.003000      ?             ?      
1 1 1 45 6  17 o 1.752000       1.010000      ?             ?      
1 1 1 45 6  18 o 1.570000       1.008000      ?             ?      
1 1 1 45 6  19 o 0.5388000      1.022000      ?             ?      
1 1 1 45 6  20 o 1.449000       1.048000      ?             ?      
1 1 1 45 6  21 o 0.4302000      0.9854000     ?             ?      
1 1 1 45 6  22 o 0.5770000E-01  0.9309000     ?             ?      
1 1 1 45 6  23 o 1.138000       0.9284000     ?             ?      
1 1 1 45 6  24 o -0.6193000E-01 0.9351000     ?             ?      
1 1 1 45 6  25 o 0.8255000      0.9151000     ?             ?      
1 1 1 45 6  26 o -0.1951000     0.8981000     ?             ?      
1 1 1 45 6  27 o 0.1907000      0.8944000     ?             ?      
1 1 1 45 6  28 o 0.2693000      0.8938000     ?             ?      
1 1 1 45 6  29 o 0.3383000      0.8912000     ?             ?      
1 1 1 45 6  30 o 0.9806000      0.8851000     ?             ?      
1 1 1 45 6  31 o 0.3328000      0.8884000     ?             ?      
1 1 1 45 6  32 o 0.8887000      0.8897000     ?             ?      
1 1 1 45 6  33 o -0.8834000     0.8906000     ?             ?      
1 1 1 45 6  34 o -1.110000      0.9391000     ?             ?      
1 1 1 45 6  35 o 1.178000       0.9458000     ?             ?      
1 1 1 45 6  36 o -0.3975000     1.066000      ?             ?      
1 1 1 45 6  37 o 0.2973000      1.067000      ?             ?      
1 1 1 45 6  38 f -0.7508000     1.065000      ?             ?      
1 1 1 45 6  39 o -1.107000      1.097000      ?             ?      
1 1 1 45 6  40 o -2.348000      1.008000      ?             ?      
1 1 1 45 6  41 o 0.8648000      1.684000      ?             ?      
1 1 1 45 6  42 f 0.9472000      1.245000      ?             ?      
1 1 1 45 6  43 o -0.8172000     1.689000      ?             ?      
1 1 1 45 6  44 o -0.6083000     1.317000      ?             ?      
1 1 1 45 6  45 o -4.620000      3.241000      ?             ?      
1 1 1 45 7  0  o -0.2985000     1.414000      ?             ?      
1 1 1 45 7  1  o -1.319000      0.9963000     ?             ?      
1 1 1 45 7  2  o 0.2496000      0.9988000     ?             ?      
1 1 1 45 7  3  o -0.4906000     0.9932000     ?             ?      
1 1 1 45 7  4  o 0.6214000E-01  1.019000      ?             ?      
1 1 1 45 7  5  f 0.4034000      1.020000      ?             ?      
1 1 1 45 7  6  o 0.7241000      1.022000      ?             ?      
1 1 1 45 7  7  o -0.1800000     1.029000      ?             ?      
1 1 1 45 7  8  o 0.6181000      0.9728000     ?             ?      
1 1 1 45 7  9  o -0.4095000     0.9750000     ?             ?      
1 1 1 45 7  10 o 0.3897000      1.010000      ?             ?      
1 1 1 45 7  11 o -0.3776000     0.9912000     ?             ?      
1 1 1 45 7  12 o 1.151000       0.9914000     ?             ?      
1 1 1 45 7  13 o 1.946000       1.107000      ?             ?      
1 1 1 45 7  14 o -0.3960000     1.052000      ?             ?      
1 1 1 45 7  15 o 1.306000       1.044000      ?             ?      
1 1 1 45 7  16 o 0.9951000      1.043000      ?             ?      
1 1 1 45 7  17 o -0.5775000     1.036000      ?             ?      
1 1 1 45 7  18 o 0.7432000      1.018000      ?             ?      
1 1 1 45 7  19 o 0.2158000      0.9980000     ?             ?      
1 1 1 45 7  20 o 1.376000       0.9961000     ?             ?      
1 1 1 45 7  21 o -0.7691000     0.9835000     ?             ?      
1 1 1 45 7  22 o -0.7972000E-01 0.9443000     ?             ?      
1 1 1 45 7  23 o -0.7213000     0.9315000     ?             ?      
1 1 1 45 7  24 o 1.631000       0.9286000     ?             ?      
1 1 1 45 7  25 o 0.6089000      0.9165000     ?             ?      
1 1 1 45 7  26 o 0.7778000E-01  0.8986000     ?             ?      
1 1 1 45 7  27 o -0.2952000     0.8930000     ?             ?      
1 1 1 45 7  28 o -1.019000      0.8885000     ?             ?      
1 1 1 45 7  29 o -1.153000      0.8845000     ?             ?      
1 1 1 45 7  30 o -0.1608000     0.8832000     ?             ?      
1 1 1 45 7  31 o -0.9018000     0.8913000     ?             ?      
1 1 1 45 7  32 o -1.650000      0.9387000     ?             ?      
1 1 1 45 7  33 o 1.279000       0.9502000     ?             ?      
1 1 1 45 7  34 o -0.1931000     1.042000      ?             ?      
1 1 1 45 7  35 o -0.8976000     1.061000      ?             ?      
1 1 1 45 7  36 o 1.110000       0.9110000     ?             ?      
1 1 1 45 7  37 o 0.1642000      0.9264000     ?             ?      
1 1 1 45 7  38 o 0.5254000      1.076000      ?             ?      
1 1 1 45 7  39 o 0.5774000      1.113000      ?             ?      
1 1 1 45 7  40 o 1.067000       1.036000      ?             ?      
1 1 1 45 7  41 o 0.3080000E-01  1.416000      ?             ?      
1 1 1 45 7  42 o -1.245000      1.181000      ?             ?      
1 1 1 45 7  43 o -1.069000      1.150000      ?             ?      
1 1 1 45 7  44 o 0.6928000      1.085000      ?             ?      
1 1 1 45 8  0  o -0.8227000     1.407000      ?             ?      
1 1 1 45 8  1  o -1.733000      0.9827000     ?             ?      
1 1 1 45 8  2  o 1.935000       1.001000      ?             ?      
1 1 1 45 8  3  o -0.6461000     0.9976000     ?             ?      
1 1 1 45 8  4  o -0.1568000     1.015000      ?             ?      
1 1 1 45 8  5  o 0.2094000      1.004000      ?             ?      
1 1 1 45 8  6  o 2.398000       1.036000      ?             ?      
1 1 1 45 8  7  o -0.5529000     0.9787000     ?             ?      
1 1 1 45 8  8  o 0.8342000      0.9748000     ?             ?      
1 1 1 45 8  9  o -0.4526000     0.9761000     ?             ?      
1 1 1 45 8  10 o -0.8126000     0.9957000     ?             ?      
1 1 1 45 8  11 o 0.6239000E-01  0.9936000     ?             ?      
1 1 1 45 8  12 o 0.6369000      1.012000      ?             ?      
1 1 1 45 8  13 o -1.259000      1.061000      ?             ?      
1 1 1 45 8  14 o 0.2849000      1.052000      ?             ?      
1 1 1 45 8  15 o 0.9113000E-01  1.301000      ?             ?      
1 1 1 45 8  16 o -0.1705000     1.073000      ?             ?      
1 1 1 45 8  17 o 1.496000       1.014000      ?             ?      
1 1 1 45 8  18 o -0.1306000     0.9955000     ?             ?      
1 1 1 45 8  19 o 0.9904000      1.000000      ?             ?      
1 1 1 45 8  20 o 1.513000       0.9966000     ?             ?      
1 1 1 45 8  21 o 0.7417000      0.9947000     ?             ?      
1 1 1 45 8  22 o -1.255000      1.063000      ?             ?      
1 1 1 45 8  23 o -1.251000      0.9348000     ?             ?      
1 1 1 45 8  24 o -0.5923000     0.9204000     ?             ?      
1 1 1 45 8  25 o -0.3940000     0.9155000     ?             ?      
1 1 1 45 8  26 o 0.4265000      0.9153000     ?             ?      
1 1 1 45 8  27 o 0.1251000      0.9000000     ?             ?      
1 1 1 45 8  28 o 0.2620000      0.8987000     ?             ?      
1 1 1 45 8  29 o -1.196000      0.9295000     ?             ?      
1 1 1 45 8  30 o -0.5690000     0.9301000     ?             ?      
1 1 1 45 8  31 o -0.9380000     0.9140000     ?             ?      
1 1 1 45 8  32 o 1.471000       1.040000      ?             ?      
1 1 1 45 8  33 o 0.4482000      0.8985000     ?             ?      
1 1 1 45 8  34 o 1.620000       0.9131000     ?             ?      
1 1 1 45 8  35 o 0.8630000      0.9122000     ?             ?      
1 1 1 45 8  36 o 0.7482000      0.9131000     ?             ?      
1 1 1 45 8  37 o 1.393000       1.073000      ?             ?      
1 1 1 45 8  38 o 0.7225000      1.111000      ?             ?      
1 1 1 45 8  39 o -0.3539000     1.189000      ?             ?      
1 1 1 45 8  40 o -1.438000      1.050000      ?             ?      
1 1 1 45 8  41 o 2.036000       1.066000      ?             ?      
1 1 1 45 8  42 o -0.4475000     1.164000      ?             ?      
1 1 1 45 8  43 o 1.319000       1.142000      ?             ?      
1 1 1 45 8  44 f 1.312000       1.099000      ?             ?      
1 1 1 45 9  0  o 0.7107000      1.404000      ?             ?      
1 1 1 45 9  1  o -0.5182000     0.9936000     ?             ?      
1 1 1 45 9  2  o 1.868000       1.007000      ?             ?      
1 1 1 45 9  3  o 0.2871000      1.018000      ?             ?      
1 1 1 45 9  4  o 0.9571000      1.012000      ?             ?      
1 1 1 45 9  5  o 0.1291000      1.006000      ?             ?      
1 1 1 45 9  6  o 1.069000       1.024000      ?             ?      
1 1 1 45 9  7  o -0.6615000     1.005000      ?             ?      
1 1 1 45 9  8  o 1.224000       0.9979000     ?             ?      
1 1 1 45 9  9  o -0.4193000     0.9721000     ?             ?      
1 1 1 45 9  10 o -0.2347000     0.9744000     ?             ?      
1 1 1 45 9  11 o -1.039000      0.9969000     ?             ?      
1 1 1 45 9  12 o 0.5923000      1.159000      ?             ?      
1 1 1 45 9  13 o 0.5770000      1.080000      ?             ?      
1 1 1 45 9  14 o 1.104000       1.052000      ?             ?      
1 1 1 45 9  15 o -0.1273000     1.054000      ?             ?      
1 1 1 45 9  16 o -0.8062000E-02 1.046000      ?             ?      
1 1 1 45 9  17 o 0.6170000      1.046000      ?             ?      
1 1 1 45 9  18 o -0.8262000     1.014000      ?             ?      
1 1 1 45 9  19 o -1.899000      0.9987000     ?             ?      
1 1 1 45 9  20 o 0.3694000      0.9931000     ?             ?      
1 1 1 45 9  21 o -0.1653000     0.9889000     ?             ?      
1 1 1 45 9  22 o -0.2799000     1.002000      ?             ?      
1 1 1 45 9  23 o 0.5991000E-01  1.017000      ?             ?      
1 1 1 45 9  24 o 0.9148000      0.9235000     ?             ?      
1 1 1 45 9  25 o 1.070000       0.9168000     ?             ?      
1 1 1 45 9  26 o -0.8117000     0.9208000     ?             ?      
1 1 1 45 9  27 o 1.224000       0.9589000     ?             ?      
1 1 1 45 9  28 o -0.6256000     0.9359000     ?             ?      
1 1 1 45 9  29 o -0.5748000     1.029000      ?             ?      
1 1 1 45 9  30 o -0.3290000     1.054000      ?             ?      
1 1 1 45 9  31 o -0.6685000     0.9015000     ?             ?      
1 1 1 45 9  32 o 1.462000       0.9012000     ?             ?      
1 1 1 45 9  33 o -0.5842000     0.8936000     ?             ?      
1 1 1 45 9  34 o 0.8055000      0.8997000     ?             ?      
1 1 1 45 9  35 o 0.1981000E-01  0.9085000     ?             ?      
1 1 1 45 9  36 o 0.9475000      0.9154000     ?             ?      
1 1 1 45 9  37 o -0.2635000     1.077000      ?             ?      
1 1 1 45 9  38 o -0.1212000     1.110000      ?             ?      
1 1 1 45 9  39 o 0.5867000      1.052000      ?             ?      
1 1 1 45 9  40 o 2.517000       1.061000      ?             ?      
1 1 1 45 9  41 o 0.7451000      1.004000      ?             ?      
1 1 1 45 9  42 o 0.1759000      1.131000      ?             ?      
1 1 1 45 9  43 o 0.3372000      1.141000      ?             ?      
1 1 1 45 9  44 o 0.5673000      1.309000      ?             ?      
1 1 1 45 10 0  o 0.4487000      1.392000      ?             ?      
1 1 1 45 10 1  o 0.1819000      0.9814000     ?             ?      
1 1 1 45 10 2  o 1.585000       1.013000      ?             ?      
1 1 1 45 10 3  o 1.916000       1.027000      ?             ?      
1 1 1 45 10 4  o 0.9143000E-01  1.013000      ?             ?      
1 1 1 45 10 5  o -0.2569000     1.093000      ?             ?      
1 1 1 45 10 6  o 1.142000       1.102000      ?             ?      
1 1 1 45 10 7  o -0.9297000     1.032000      ?             ?      
1 1 1 45 10 8  o 0.3928000      0.9741000     ?             ?      
1 1 1 45 10 9  o 0.6299000      0.9864000     ?             ?      
1 1 1 45 10 10 f 0.7563000      1.038000      ?             ?      
1 1 1 45 10 11 o 0.1046000E-01  1.062000      ?             ?      
1 1 1 45 10 12 o 0.3783000      1.122000      ?             ?      
1 1 1 45 10 13 o 1.486000       1.078000      ?             ?      
1 1 1 45 10 14 o 0.5304000      1.069000      ?             ?      
1 1 1 45 10 15 o 0.4798000      1.066000      ?             ?      
1 1 1 45 10 16 o 2.113000       1.060000      ?             ?      
1 1 1 45 10 17 o -0.4500000E-01 1.047000      ?             ?      
1 1 1 45 10 18 o -1.206000      1.040000      ?             ?      
1 1 1 45 10 19 o 0.3499000      1.008000      ?             ?      
1 1 1 45 10 20 o -0.5434000     0.9931000     ?             ?      
1 1 1 45 10 21 o 0.5545000      0.9885000     ?             ?      
1 1 1 45 10 22 o 0.4147000      0.9965000     ?             ?      
1 1 1 45 10 23 o 2.447000       1.031000      ?             ?      
1 1 1 45 10 24 o -0.6969000     0.9962000     ?             ?      
1 1 1 45 10 25 o -0.2493000     0.9721000     ?             ?      
1 1 1 45 10 26 o 0.1917000      0.9312000     ?             ?      
1 1 1 45 10 27 o 1.186000       1.032000      ?             ?      
1 1 1 45 10 28 o 0.4263000      0.9087000     ?             ?      
1 1 1 45 10 29 o 1.562000       0.9104000     ?             ?      
1 1 1 45 10 30 o 0.7787000      0.9065000     ?             ?      
1 1 1 45 10 31 o -0.6795000     0.9026000     ?             ?      
1 1 1 45 10 32 o -0.3301000     0.8850000     ?             ?      
1 1 1 45 10 33 o 0.9246000      0.8978000     ?             ?      
1 1 1 45 10 34 o 0.3023000      0.8899000     ?             ?      
1 1 1 45 10 35 o -0.8236000     0.9014000     ?             ?      
1 1 1 45 10 36 o 0.3401000      1.072000      ?             ?      
1 1 1 45 10 37 o -0.1516000     1.102000      ?             ?      
1 1 1 45 10 38 o -0.5949000     1.183000      ?             ?      
1 1 1 45 10 39 o -0.2362000E-01 1.107000      ?             ?      
1 1 1 45 10 40 o 0.5505000      1.057000      ?             ?      
1 1 1 45 10 41 o 0.4224000      1.005000      ?             ?      
1 1 1 45 10 42 o -1.686000      1.190000      ?             ?      
1 1 1 45 10 43 o -1.382000      1.813000      ?             ?      
1 1 1 45 10 44 o -2.030000      1.594000      ?             ?      
1 1 1 45 11 0  o 1.075000       1.393000      ?             ?      
1 1 1 45 11 1  o 0.3275000E-01  0.9788000     ?             ?      
1 1 1 45 11 2  o 1.067000       1.041000      ?             ?      
1 1 1 45 11 3  o -0.8933000     1.032000      ?             ?      
1 1 1 45 11 4  o 0.6721000      1.070000      ?             ?      
1 1 1 45 11 5  o 0.4942000      1.069000      ?             ?      
1 1 1 45 11 6  o 0.6431000      1.065000      ?             ?      
1 1 1 45 11 7  o -0.3547000     1.033000      ?             ?      
1 1 1 45 11 8  o 1.552000       1.031000      ?             ?      
1 1 1 45 11 9  o 0.5017000      1.027000      ?             ?      
1 1 1 45 11 10 o 2.065000       0.9868000     ?             ?      
1 1 1 45 11 11 o 1.306000       1.002000      ?             ?      
1 1 1 45 11 12 o -1.074000      1.089000      ?             ?      
1 1 1 45 11 13 o 1.119000       1.084000      ?             ?      
1 1 1 45 11 14 o 0.2644000      1.085000      ?             ?      
1 1 1 45 11 15 o 0.9615000      1.089000      ?             ?      
1 1 1 45 11 16 o 1.034000       1.065000      ?             ?      
1 1 1 45 11 17 o 0.8860000      1.063000      ?             ?      
1 1 1 45 11 18 o 0.8197000      1.045000      ?             ?      
1 1 1 45 11 19 o 0.2501000      1.006000      ?             ?      
1 1 1 45 11 20 o -0.3117000     1.037000      ?             ?      
1 1 1 45 11 21 o 0.8917000      1.057000      ?             ?      
1 1 1 45 11 22 o -1.090000      1.017000      ?             ?      
1 1 1 45 11 23 o 0.3636000      1.013000      ?             ?      
1 1 1 45 11 24 o 0.3714000      1.190000      ?             ?      
1 1 1 45 11 25 o 0.9457000      1.062000      ?             ?      
1 1 1 45 11 26 o -0.9767000     0.9219000     ?             ?      
1 1 1 45 11 27 o 0.2497000      0.9276000     ?             ?      
1 1 1 45 11 28 o 0.5638000      0.9179000     ?             ?      
1 1 1 45 11 29 o -1.001000      0.9067000     ?             ?      
1 1 1 45 11 30 o 0.4593000      0.8999000     ?             ?      
1 1 1 45 11 31 o 0.1913000      0.8986000     ?             ?      
1 1 1 45 11 32 o 0.2397000      0.8792000     ?             ?      
1 1 1 45 11 33 o 1.007000       0.8835000     ?             ?      
1 1 1 45 11 34 o 1.379000       0.8999000     ?             ?      
1 1 1 45 11 35 o -2.059000      0.9034000     ?             ?      
1 1 1 45 11 36 o -0.5781000     1.079000      ?             ?      
1 1 1 45 11 37 o -0.2517000     1.106000      ?             ?      
1 1 1 45 11 38 o -1.123000      1.055000      ?             ?      
1 1 1 45 11 39 o -0.4522000     1.047000      ?             ?      
1 1 1 45 11 40 o -0.4222000     0.9890000     ?             ?      
1 1 1 45 11 41 o -0.4049000     0.9611000     ?             ?      
1 1 1 45 11 42 o -0.6355000     1.131000      ?             ?      
1 1 1 45 11 43 o 0.7837000      1.239000      ?             ?      
1 1 1 45 12 0  o 0.7253000      1.450000      ?             ?      
1 1 1 45 12 1  o -1.797000      0.9944000     ?             ?      
1 1 1 45 12 2  o -0.1562000     1.067000      ?             ?      
1 1 1 45 12 3  o 0.4572000      0.9924000     ?             ?      
1 1 1 45 12 4  o -1.369000      1.065000      ?             ?      
1 1 1 45 12 5  o 1.319000       1.063000      ?             ?      
1 1 1 45 12 6  o -0.5261000E-01 1.050000      ?             ?      
1 1 1 45 12 7  o 0.6971000E-01  1.013000      ?             ?      
1 1 1 45 12 8  o 2.221000       1.040000      ?             ?      
1 1 1 45 12 9  o 0.2586000      1.021000      ?             ?      
1 1 1 45 12 10 o 0.5230000E-01  1.024000      ?             ?      
1 1 1 45 12 11 o 0.7061000      1.081000      ?             ?      
1 1 1 45 12 12 o 1.175000       1.079000      ?             ?      
1 1 1 45 12 13 o -1.016000      1.076000      ?             ?      
1 1 1 45 12 14 o 1.778000       1.089000      ?             ?      
1 1 1 45 12 15 o 0.7823000      1.085000      ?             ?      
1 1 1 45 12 16 o 1.252000       1.100000      ?             ?      
1 1 1 45 12 17 o 0.1585000      1.083000      ?             ?      
1 1 1 45 12 18 o 0.7857000      1.108000      ?             ?      
1 1 1 45 12 19 o 0.5486000E-01  1.143000      ?             ?      
1 1 1 45 12 20 o -0.1772000     1.036000      ?             ?      
1 1 1 45 12 21 o 0.5787000      1.008000      ?             ?      
1 1 1 45 12 22 o 1.191000       1.147000      ?             ?      
1 1 1 45 12 23 o 1.465000       1.179000      ?             ?      
1 1 1 45 12 24 o -1.117000      0.9905000     ?             ?      
1 1 1 45 12 25 o 0.7886000      1.017000      ?             ?      
1 1 1 45 12 26 o -0.2811000     0.9286000     ?             ?      
1 1 1 45 12 27 o -1.149000      0.9115000     ?             ?      
1 1 1 45 12 28 o -0.2647000     0.9139000     ?             ?      
1 1 1 45 12 29 o -0.8972000     0.9135000     ?             ?      
1 1 1 45 12 30 o -0.9301000     0.8991000     ?             ?      
1 1 1 45 12 31 o -2.258000      0.8860000     ?             ?      
1 1 1 45 12 32 o -0.6759000     0.8867000     ?             ?      
1 1 1 45 12 33 o 0.7034000E-01  0.8888000     ?             ?      
1 1 1 45 12 34 o -0.4401000E-01 0.8912000     ?             ?      
1 1 1 45 12 35 o 1.802000       0.9176000     ?             ?      
1 1 1 45 12 36 o -0.4549000     1.098000      ?             ?      
1 1 1 45 12 37 o 0.8214000      1.131000      ?             ?      
1 1 1 45 12 38 o -0.5340000     1.043000      ?             ?      
1 1 1 45 12 39 o 1.021000       1.034000      ?             ?      
1 1 1 45 12 40 o -0.1451000     0.9915000     ?             ?      
1 1 1 45 12 41 o 0.5034000      0.9466000     ?             ?      
1 1 1 45 12 42 o 0.8065000      0.9654000     ?             ?      
1 1 1 45 12 43 f 0.8874000      1.247000      ?             ?      
1 1 1 45 13 0  o 0.6278000      1.366000      ?             ?      
1 1 1 45 13 1  o -0.3835000     1.076000      ?             ?      
1 1 1 45 13 2  o 1.343000       1.128000      ?             ?      
1 1 1 45 13 3  o 1.058000       1.123000      ?             ?      
1 1 1 45 13 4  o -1.027000      1.061000      ?             ?      
1 1 1 45 13 5  o 0.5951000      1.061000      ?             ?      
1 1 1 45 13 6  o -0.4625000     1.049000      ?             ?      
1 1 1 45 13 7  o 0.6204000      1.008000      ?             ?      
1 1 1 45 13 8  o 1.182000       1.019000      ?             ?      
1 1 1 45 13 9  o 0.4513000      1.014000      ?             ?      
1 1 1 45 13 10 o 0.6006000      1.016000      ?             ?      
1 1 1 45 13 11 o -1.522000      1.039000      ?             ?      
1 1 1 45 13 12 o 0.5069000      1.045000      ?             ?      
1 1 1 45 13 13 o -0.2395000     1.069000      ?             ?      
1 1 1 45 13 14 o -0.5548000     1.073000      ?             ?      
1 1 1 45 13 15 o -0.2673000     1.115000      ?             ?      
1 1 1 45 13 16 o -0.4497000E-01 1.137000      ?             ?      
1 1 1 45 13 17 o 0.7098000      1.123000      ?             ?      
1 1 1 45 13 18 o -0.8980000     1.103000      ?             ?      
1 1 1 45 13 19 o 0.2889000E-01  1.192000      ?             ?      
1 1 1 45 13 20 o 1.534000       1.230000      ?             ?      
1 1 1 45 13 21 o 0.6252000      1.017000      ?             ?      
1 1 1 45 13 22 o -0.5796000     1.004000      ?             ?      
1 1 1 45 13 23 o -0.1269000     0.9992000     ?             ?      
1 1 1 45 13 24 o 0.9945000      0.9872000     ?             ?      
1 1 1 45 13 25 o 0.8499000      0.9862000     ?             ?      
1 1 1 45 13 26 o -2.015000      1.016000      ?             ?      
1 1 1 45 13 27 o 0.1943000      0.9158000     ?             ?      
1 1 1 45 13 28 o 0.5745000      0.9090000     ?             ?      
1 1 1 45 13 29 o -0.5956000     0.9140000     ?             ?      
1 1 1 45 13 30 o 0.8144000      0.9166000     ?             ?      
1 1 1 45 13 31 o -0.2161000     0.8987000     ?             ?      
1 1 1 45 13 32 o 2.017000       0.9078000     ?             ?      
1 1 1 45 13 33 o -0.3205000E-01 0.8947000     ?             ?      
1 1 1 45 13 34 o -0.6600000     0.9053000     ?             ?      
1 1 1 45 13 35 o 0.2955000      1.105000      ?             ?      
1 1 1 45 13 36 o 0.4546000      1.129000      ?             ?      
1 1 1 45 13 37 o 1.211000       1.187000      ?             ?      
1 1 1 45 13 38 o -1.882000      1.024000      ?             ?      
1 1 1 45 13 39 o 0.3031000      1.019000      ?             ?      
1 1 1 45 13 40 o -0.1903000     0.9452000     ?             ?      
1 1 1 45 13 41 o -0.9289000     0.9546000     ?             ?      
1 1 1 45 13 42 o 0.8889000      1.005000      ?             ?      
1 1 1 45 13 43 f 1.534000       2.434000      ?             ?      
1 1 1 45 14 0  o -0.6470000     1.713000      ?             ?      
1 1 1 45 14 1  o 1.529000       1.097000      ?             ?      
1 1 1 45 14 2  o -0.4833000E-01 1.063000      ?             ?      
1 1 1 45 14 3  o -0.1582000     1.053000      ?             ?      
1 1 1 45 14 4  o -0.3328000     1.061000      ?             ?      
1 1 1 45 14 5  o 0.4789000      1.134000      ?             ?      
1 1 1 45 14 6  o 1.165000       1.082000      ?             ?      
1 1 1 45 14 7  o -0.3019000     1.011000      ?             ?      
1 1 1 45 14 8  o 0.4480000      1.014000      ?             ?      
1 1 1 45 14 9  o 0.5415000      1.006000      ?             ?      
1 1 1 45 14 10 o -0.3184000     1.077000      ?             ?      
1 1 1 45 14 11 o -0.5306000     1.024000      ?             ?      
1 1 1 45 14 12 o -1.120000      1.020000      ?             ?      
1 1 1 45 14 13 o -0.1507000     1.090000      ?             ?      
1 1 1 45 14 14 o -0.5859000     1.173000      ?             ?      
1 1 1 45 14 15 o 0.1421000      1.103000      ?             ?      
1 1 1 45 14 16 o 1.148000       1.073000      ?             ?      
1 1 1 45 14 17 o -1.197000      1.185000      ?             ?      
1 1 1 45 14 18 o 0.2861000      1.087000      ?             ?      
1 1 1 45 14 19 o -1.383000      1.084000      ?             ?      
1 1 1 45 14 20 o 0.6304000      1.052000      ?             ?      
1 1 1 45 14 21 o -2.178000      1.028000      ?             ?      
1 1 1 45 14 22 o -0.9173000     0.9967000     ?             ?      
1 1 1 45 14 23 o 0.9239000E-01  0.9971000     ?             ?      
1 1 1 45 14 24 f 0.6215000      0.9834000     ?             ?      
1 1 1 45 14 25 o 0.8566000      0.9802000     ?             ?      
1 1 1 45 14 26 o -0.5299000     0.9838000     ?             ?      
1 1 1 45 14 27 o 0.5217000      1.022000      ?             ?      
1 1 1 45 14 28 o -1.160000      0.9126000     ?             ?      
1 1 1 45 14 29 o 0.2753000      0.9136000     ?             ?      
1 1 1 45 14 30 o -0.3147000     0.9171000     ?             ?      
1 1 1 45 14 31 o -0.1770000     0.9100000     ?             ?      
1 1 1 45 14 32 o -0.1486000     0.9118000     ?             ?      
1 1 1 45 14 33 o -1.559000      0.9174000     ?             ?      
1 1 1 45 14 34 o 0.9714000      0.9300000     ?             ?      
1 1 1 45 14 35 o 0.1887000      1.097000      ?             ?      
1 1 1 45 14 36 o 0.1861000      1.124000      ?             ?      
1 1 1 45 14 37 o -1.142000      1.039000      ?             ?      
1 1 1 45 14 38 o 2.155000       1.040000      ?             ?      
1 1 1 45 14 39 o 0.5564000      0.9467000     ?             ?      
1 1 1 45 14 40 o -0.3399000     0.9332000     ?             ?      
1 1 1 45 14 41 o 0.6261000      0.9546000     ?             ?      
1 1 1 45 14 42 o -0.4894000     1.019000      ?             ?      
1 1 1 45 15 0  o 2.891000       1.467000      ?             ?      
1 1 1 45 15 1  o -0.7465000     1.014000      ?             ?      
1 1 1 45 15 2  o -1.084000      1.071000      ?             ?      
1 1 1 45 15 3  o -0.9015000     1.148000      ?             ?      
1 1 1 45 15 4  o -0.1073000     1.154000      ?             ?      
1 1 1 45 15 5  o -1.991000      1.062000      ?             ?      
1 1 1 45 15 6  o 0.4642000      1.032000      ?             ?      
1 1 1 45 15 7  o 1.130000       1.086000      ?             ?      
1 1 1 45 15 8  o 0.1873000      1.068000      ?             ?      
1 1 1 45 15 9  o -1.258000      1.019000      ?             ?      
1 1 1 45 15 10 o -0.5534000     1.108000      ?             ?      
1 1 1 45 15 11 o -1.580000      1.071000      ?             ?      
1 1 1 45 15 12 o 1.328000       1.103000      ?             ?      
1 1 1 45 15 13 o 0.6413000E-01  1.075000      ?             ?      
1 1 1 45 15 14 o 0.4026000      1.123000      ?             ?      
1 1 1 45 15 15 o 0.3810000      1.133000      ?             ?      
1 1 1 45 15 16 o 0.7461000      1.054000      ?             ?      
1 1 1 45 15 17 o -0.4839000E-01 1.057000      ?             ?      
1 1 1 45 15 18 o -0.1817000     1.062000      ?             ?      
1 1 1 45 15 19 o 4.407000       1.085000      ?             ?      
1 1 1 45 15 20 o 0.5823000      1.059000      ?             ?      
1 1 1 45 15 21 o -1.194000      1.039000      ?             ?      
1 1 1 45 15 22 o 0.1111000      1.018000      ?             ?      
1 1 1 45 15 23 o -0.5432000     0.9985000     ?             ?      
1 1 1 45 15 24 o -0.9632000     0.9900000     ?             ?      
1 1 1 45 15 25 o -0.4188000     0.9906000     ?             ?      
1 1 1 45 15 26 o 0.2810000      0.9971000     ?             ?      
1 1 1 45 15 27 o 0.8916000      1.002000      ?             ?      
1 1 1 45 15 28 o -0.4898000     0.9406000     ?             ?      
1 1 1 45 15 29 o -1.414000      0.9156000     ?             ?      
1 1 1 45 15 30 o 0.3733000      0.9214000     ?             ?      
1 1 1 45 15 31 o -0.6967000     0.9205000     ?             ?      
1 1 1 45 15 32 o 0.6733000      0.9242000     ?             ?      
1 1 1 45 15 33 o 0.2726000      0.9259000     ?             ?      
1 1 1 45 15 34 o 0.3310000      0.9802000     ?             ?      
1 1 1 45 15 35 o -0.8581000     1.124000      ?             ?      
1 1 1 45 15 36 o 0.6504000      1.125000      ?             ?      
1 1 1 45 15 37 o 1.274000       1.046000      ?             ?      
1 1 1 45 15 38 o -1.456000      1.003000      ?             ?      
1 1 1 45 15 39 o -0.4846000     0.9394000     ?             ?      
1 1 1 45 15 40 o -0.5837000     1.333000      ?             ?      
1 1 1 45 15 41 o -0.5924000     0.9706000     ?             ?      
1 1 1 45 15 42 o 0.5588000      1.216000      ?             ?      
1 1 1 45 16 0  o 1.036000       1.424000      ?             ?      
1 1 1 45 16 1  o 0.7587000      1.009000      ?             ?      
1 1 1 45 16 2  o -1.443000      1.059000      ?             ?      
1 1 1 45 16 3  o 0.6265000      1.061000      ?             ?      
1 1 1 45 16 4  o 0.3612000      1.063000      ?             ?      
1 1 1 45 16 5  o -0.7426000     1.189000      ?             ?      
1 1 1 45 16 6  o -1.647000      1.207000      ?             ?      
1 1 1 45 16 7  o -2.182000      1.160000      ?             ?      
1 1 1 45 16 8  o -0.2438000     1.096000      ?             ?      
1 1 1 45 16 9  o 0.2816000      1.072000      ?             ?      
1 1 1 45 16 10 o 0.9923000      1.266000      ?             ?      
1 1 1 45 16 11 o -0.2089000     1.064000      ?             ?      
1 1 1 45 16 12 o -0.6550000     1.070000      ?             ?      
1 1 1 45 16 13 o -0.6668000     1.076000      ?             ?      
1 1 1 45 16 14 o 0.2603000      1.066000      ?             ?      
1 1 1 45 16 15 o 0.8001000      1.047000      ?             ?      
1 1 1 45 16 16 o 0.3761000      1.050000      ?             ?      
1 1 1 45 16 17 o -0.3710000     1.045000      ?             ?      
1 1 1 45 16 18 o -1.117000      1.078000      ?             ?      
1 1 1 45 16 19 o 1.142000       1.058000      ?             ?      
1 1 1 45 16 20 o -0.5544000     1.049000      ?             ?      
1 1 1 45 16 21 o -1.266000      1.047000      ?             ?      
1 1 1 45 16 22 o -0.2461000     1.045000      ?             ?      
1 1 1 45 16 23 o -0.3858000     1.009000      ?             ?      
1 1 1 45 16 24 o -0.5667000     1.002000      ?             ?      
1 1 1 45 16 25 o 0.2183000      1.002000      ?             ?      
1 1 1 45 16 26 o -0.2807000     0.9986000     ?             ?      
1 1 1 45 16 27 o -0.5891000     1.004000      ?             ?      
1 1 1 45 16 28 o 0.3993000      1.031000      ?             ?      
1 1 1 45 16 29 o -0.6562000     0.9411000     ?             ?      
1 1 1 45 16 30 o -0.9009000     0.9219000     ?             ?      
1 1 1 45 16 31 o 0.2722000      0.9324000     ?             ?      
1 1 1 45 16 32 o 0.1486000      0.9248000     ?             ?      
1 1 1 45 16 33 o -0.3240000     0.9370000     ?             ?      
1 1 1 45 16 34 o 0.1270000      1.085000      ?             ?      
1 1 1 45 16 35 o 1.226000       1.136000      ?             ?      
1 1 1 45 16 36 o 1.777000       1.233000      ?             ?      
1 1 1 45 16 37 o 0.2714000      1.034000      ?             ?      
1 1 1 45 16 38 o -0.1634000E-01 0.9675000     ?             ?      
1 1 1 45 16 39 o -0.4763000     0.9500000     ?             ?      
1 1 1 45 16 40 o 0.3121000      0.9557000     ?             ?      
1 1 1 45 16 41 o -0.8537000     0.9917000     ?             ?      
1 1 1 45 16 42 o 2.250000       2.836000      ?             ?      
1 1 1 45 17 0  o -0.1916000     1.400000      ?             ?      
1 1 1 45 17 1  o 1.510000       0.9952000     ?             ?      
1 1 1 45 17 2  o 1.702000       1.086000      ?             ?      
1 1 1 45 17 3  o -0.1753000     1.058000      ?             ?      
1 1 1 45 17 4  o -0.3964000     1.062000      ?             ?      
1 1 1 45 17 5  o 0.3019000      1.148000      ?             ?      
1 1 1 45 17 6  o 0.5593000      1.834000      ?             ?      
1 1 1 45 17 7  o 0.3031000      1.083000      ?             ?      
1 1 1 45 17 8  o 0.4571000      1.023000      ?             ?      
1 1 1 45 17 9  o -1.044000      1.192000      ?             ?      
1 1 1 45 17 10 o 0.4798000      1.160000      ?             ?      
1 1 1 45 17 11 o -0.9898000     1.013000      ?             ?      
1 1 1 45 17 12 o -0.9453000     1.014000      ?             ?      
1 1 1 45 17 13 o -0.7951000     1.116000      ?             ?      
1 1 1 45 17 14 o -1.873000      1.080000      ?             ?      
1 1 1 45 17 15 o -1.166000      1.048000      ?             ?      
1 1 1 45 17 16 o -1.024000      1.048000      ?             ?      
1 1 1 45 17 17 o -1.627000      1.048000      ?             ?      
1 1 1 45 17 18 o 0.1607000      1.037000      ?             ?      
1 1 1 45 17 19 o 1.219000       1.050000      ?             ?      
1 1 1 45 17 20 o 0.9767000      1.057000      ?             ?      
1 1 1 45 17 21 o -0.5694000     1.060000      ?             ?      
1 1 1 45 17 22 o -2.350000      1.049000      ?             ?      
1 1 1 45 17 23 o 0.3073000      1.049000      ?             ?      
1 1 1 45 17 24 o 0.6948000      1.020000      ?             ?      
1 1 1 45 17 25 o -0.1524000E-01 1.013000      ?             ?      
1 1 1 45 17 26 o -0.7882000     1.018000      ?             ?      
1 1 1 45 17 27 o 0.5878000      1.014000      ?             ?      
1 1 1 45 17 28 o -0.8432000     1.011000      ?             ?      
1 1 1 45 17 29 o 0.4362000E-01  1.045000      ?             ?      
1 1 1 45 17 30 o -1.659000      0.9416000     ?             ?      
1 1 1 45 17 31 o 0.8953000E-01  0.9196000     ?             ?      
1 1 1 45 17 32 o 1.196000       0.9363000     ?             ?      
1 1 1 45 17 33 o 0.7702000      0.9938000     ?             ?      
1 1 1 45 17 34 o -0.5863000     1.143000      ?             ?      
1 1 1 45 17 35 o -2.842000      1.243000      ?             ?      
1 1 1 45 17 36 o 0.8821000      1.036000      ?             ?      
1 1 1 45 17 37 o -0.8676000     1.031000      ?             ?      
1 1 1 45 17 38 o -0.4313000     1.379000      ?             ?      
1 1 1 45 17 39 o -1.168000      0.9564000     ?             ?      
1 1 1 45 17 40 o 0.9894000      1.392000      ?             ?      
1 1 1 45 17 41 o -2.122000      1.260000      ?             ?      
1 1 1 45 18 0  o -2.090000      1.384000      ?             ?      
1 1 1 45 18 1  o -0.2320000E-01 0.9904000     ?             ?      
1 1 1 45 18 2  o -1.825000      1.053000      ?             ?      
1 1 1 45 18 3  o -0.6900000     1.190000      ?             ?      
1 1 1 45 18 4  o -0.7479000     1.354000      ?             ?      
1 1 1 45 18 5  o -1.797000      1.306000      ?             ?      
1 1 1 45 18 6  o -1.022000      1.036000      ?             ?      
1 1 1 45 18 7  o -0.3159000     0.9362000     ?             ?      
1 1 1 45 18 8  o -0.6691000     0.9172000     ?             ?      
1 1 1 45 18 9  o -0.5372000     0.9779000     ?             ?      
1 1 1 45 18 10 o -0.8539000     0.9623000     ?             ?      
1 1 1 45 18 11 o -1.392000      0.9708000     ?             ?      
1 1 1 45 18 12 o -0.1087000     1.113000      ?             ?      
1 1 1 45 18 13 o -0.4225000E-01 1.123000      ?             ?      
1 1 1 45 18 14 o -1.130000      1.077000      ?             ?      
1 1 1 45 18 15 o 0.2150000      1.139000      ?             ?      
1 1 1 45 18 16 o 0.4123000      1.105000      ?             ?      
1 1 1 45 18 17 o -0.8388000     1.071000      ?             ?      
1 1 1 45 18 18 o -0.4958000     1.044000      ?             ?      
1 1 1 45 18 19 o -0.7863000     1.047000      ?             ?      
1 1 1 45 18 20 o -0.1952000     1.053000      ?             ?      
1 1 1 45 18 21 o -0.9156000     1.053000      ?             ?      
1 1 1 45 18 22 o -1.139000      1.051000      ?             ?      
1 1 1 45 18 23 o -0.8120000E-01 1.055000      ?             ?      
1 1 1 45 18 24 o -0.2018000     1.035000      ?             ?      
1 1 1 45 18 25 o -0.9954000     1.023000      ?             ?      
1 1 1 45 18 26 o -0.3816000     1.019000      ?             ?      
1 1 1 45 18 27 o 0.3526000      1.032000      ?             ?      
1 1 1 45 18 28 o -1.618000      1.019000      ?             ?      
1 1 1 45 18 29 o -0.1626000     1.006000      ?             ?      
1 1 1 45 18 30 o -1.794000      1.033000      ?             ?      
1 1 1 45 18 31 o -1.315000      0.9440000     ?             ?      
1 1 1 45 18 32 o 0.6052000      0.9902000     ?             ?      
1 1 1 45 18 33 o 0.6755000      1.147000      ?             ?      
1 1 1 45 18 34 o -0.5572000     1.162000      ?             ?      
1 1 1 45 18 35 o -0.1412000     1.253000      ?             ?      
1 1 1 45 18 36 o -0.7529000     1.031000      ?             ?      
1 1 1 45 18 37 o 1.239000       1.009000      ?             ?      
1 1 1 45 18 38 o -0.9088000     0.9605000     ?             ?      
1 1 1 45 18 39 o 1.100000       0.9720000     ?             ?      
1 1 1 45 18 40 o -0.3389000     1.024000      ?             ?      
1 1 1 45 19 0  o -0.8065000     1.512000      ?             ?      
1 1 1 45 19 1  o -0.1147000     1.165000      ?             ?      
1 1 1 45 19 2  o -0.5752000     1.141000      ?             ?      
1 1 1 45 19 3  o -0.5168000     1.077000      ?             ?      
1 1 1 45 19 4  o 0.1653000      1.075000      ?             ?      
1 1 1 45 19 5  o -0.3901000     0.9988000     ?             ?      
1 1 1 45 19 6  f 0.7130000      0.9900000     ?             ?      
1 1 1 45 19 7  o 0.1971000      0.9160000     ?             ?      
1 1 1 45 19 8  o -0.7119000     0.9291000     ?             ?      
1 1 1 45 19 9  o -1.573000      0.9605000     ?             ?      
1 1 1 45 19 10 o -0.7653000     0.9543000     ?             ?      
1 1 1 45 19 11 o -0.2392000     0.9622000     ?             ?      
1 1 1 45 19 12 o -0.6466000     0.9748000     ?             ?      
1 1 1 45 19 13 o -1.188000      1.011000      ?             ?      
1 1 1 45 19 14 o -1.135000      1.094000      ?             ?      
1 1 1 45 19 15 o -2.030000      1.241000      ?             ?      
1 1 1 45 19 16 o -0.2775000E-01 1.211000      ?             ?      
1 1 1 45 19 17 o 1.799000       1.062000      ?             ?      
1 1 1 45 19 18 o 0.6031000      1.109000      ?             ?      
1 1 1 45 19 19 o 1.637000       1.118000      ?             ?      
1 1 1 45 19 20 o -0.3812000     1.061000      ?             ?      
1 1 1 45 19 21 o -0.6253000     1.068000      ?             ?      
1 1 1 45 19 22 o -1.199000      1.064000      ?             ?      
1 1 1 45 19 23 o -0.7578000     1.070000      ?             ?      
1 1 1 45 19 24 o -0.8305000E-01 1.069000      ?             ?      
1 1 1 45 19 25 o -1.330000      1.038000      ?             ?      
1 1 1 45 19 26 o -0.6985000     1.032000      ?             ?      
1 1 1 45 19 27 o 0.3137000      1.031000      ?             ?      
1 1 1 45 19 28 o 0.5414000      1.016000      ?             ?      
1 1 1 45 19 29 o 1.059000       1.023000      ?             ?      
1 1 1 45 19 30 o -0.4362000     1.017000      ?             ?      
1 1 1 45 19 31 o 0.6003000      1.074000      ?             ?      
1 1 1 45 19 32 o 2.103000       1.010000      ?             ?      
1 1 1 45 19 33 o -1.479000      1.153000      ?             ?      
1 1 1 45 19 34 o 0.5356000      1.190000      ?             ?      
1 1 1 45 19 35 o -0.4553000     1.044000      ?             ?      
1 1 1 45 19 36 o -0.7153000     1.017000      ?             ?      
1 1 1 45 19 37 o 0.5741000      0.9676000     ?             ?      
1 1 1 45 19 38 o 0.5447000      0.9795000     ?             ?      
1 1 1 45 19 39 o 1.317000       1.012000      ?             ?      
1 1 1 45 19 40 o -0.2296000     2.174000      ?             ?      
1 1 1 45 20 0  o -0.5538000E-01 1.397000      ?             ?      
1 1 1 45 20 1  o -0.3534000     1.099000      ?             ?      
1 1 1 45 20 2  o 0.5793000E-01  0.9969000     ?             ?      
1 1 1 45 20 3  o -2.250000      1.106000      ?             ?      
1 1 1 45 20 4  o -0.3352000     1.061000      ?             ?      
1 1 1 45 20 5  o -0.9907000     1.007000      ?             ?      
1 1 1 45 20 6  o -2.000000      0.9790000     ?             ?      
1 1 1 45 20 7  o -0.2784000     0.9011000     ?             ?      
1 1 1 45 20 8  o 0.1728000      1.000000      ?             ?      
1 1 1 45 20 9  o -2.101000      0.9464000     ?             ?      
1 1 1 45 20 10 o -0.2576000     0.9488000     ?             ?      
1 1 1 45 20 11 o 1.458000       0.9661000     ?             ?      
1 1 1 45 20 12 o -0.6327000     0.9666000     ?             ?      
1 1 1 45 20 13 o -1.180000      0.9629000     ?             ?      
1 1 1 45 20 14 o -0.9994000     1.061000      ?             ?      
1 1 1 45 20 15 o 0.5349000      1.093000      ?             ?      
1 1 1 45 20 16 o 0.6877000      1.076000      ?             ?      
1 1 1 45 20 17 o -0.1682000     1.071000      ?             ?      
1 1 1 45 20 18 o -0.1771000     1.234000      ?             ?      
1 1 1 45 20 19 o -0.8800000     1.233000      ?             ?      
1 1 1 45 20 20 o -0.2578000E-01 1.077000      ?             ?      
1 1 1 45 20 21 o 0.1953000      1.133000      ?             ?      
1 1 1 45 20 22 o -0.7725000     1.193000      ?             ?      
1 1 1 45 20 23 o -0.7441000     1.092000      ?             ?      
1 1 1 45 20 24 o -0.4660000     1.089000      ?             ?      
1 1 1 45 20 25 o -1.274000      1.050000      ?             ?      
1 1 1 45 20 26 o -2.049000      1.044000      ?             ?      
1 1 1 45 20 27 o 0.2528000      1.038000      ?             ?      
1 1 1 45 20 28 o 0.2707000      1.039000      ?             ?      
1 1 1 45 20 29 o 1.599000       1.024000      ?             ?      
1 1 1 45 20 30 o -2.192000      1.026000      ?             ?      
1 1 1 45 20 31 o -0.4819000     1.130000      ?             ?      
1 1 1 45 20 32 o 0.1949000      1.335000      ?             ?      
1 1 1 45 20 33 o -0.4331000     1.249000      ?             ?      
1 1 1 45 20 34 o -0.9655000     1.198000      ?             ?      
1 1 1 45 20 35 o -1.691000      1.039000      ?             ?      
1 1 1 45 20 36 o 1.280000       1.025000      ?             ?      
1 1 1 45 20 37 o -0.2216000     0.9750000     ?             ?      
1 1 1 45 20 38 o 0.5530000      0.9840000     ?             ?      
1 1 1 45 20 39 o -0.5754000     1.206000      ?             ?      
1 1 1 45 21 0  o 1.928000       1.356000      ?             ?      
1 1 1 45 21 1  o 1.119000       0.9601000     ?             ?      
1 1 1 45 21 2  o -0.3016000     0.9734000     ?             ?      
1 1 1 45 21 3  o -0.1116000     1.172000      ?             ?      
1 1 1 45 21 4  o -0.8602000     1.088000      ?             ?      
1 1 1 45 21 5  o 0.6777000E-01  1.124000      ?             ?      
1 1 1 45 21 6  o 0.1499000      1.006000      ?             ?      
1 1 1 45 21 7  o -0.5117000     0.9078000     ?             ?      
1 1 1 45 21 8  o -0.4314000     0.9638000     ?             ?      
1 1 1 45 21 9  o -1.565000      0.9464000     ?             ?      
1 1 1 45 21 10 o -0.4489000     0.9613000     ?             ?      
1 1 1 45 21 11 o 0.2847000E-01  0.9673000     ?             ?      
1 1 1 45 21 12 o -0.3861000E-01 0.9654000     ?             ?      
1 1 1 45 21 13 o -0.3540000     0.9707000     ?             ?      
1 1 1 45 21 14 o -0.1092000     1.079000      ?             ?      
1 1 1 45 21 15 o 1.630000       1.087000      ?             ?      
1 1 1 45 21 16 o -0.6022000E-01 1.080000      ?             ?      
1 1 1 45 21 17 o -0.3937000     1.049000      ?             ?      
1 1 1 45 21 18 o 0.3367000      1.057000      ?             ?      
1 1 1 45 21 19 o -0.2796000     1.062000      ?             ?      
1 1 1 45 21 20 o -0.3719000     1.100000      ?             ?      
1 1 1 45 21 21 o -0.5127000     1.249000      ?             ?      
1 1 1 45 21 22 o 0.1930000      1.262000      ?             ?      
1 1 1 45 21 23 o -0.1409000     1.108000      ?             ?      
1 1 1 45 21 24 o -0.7813000     1.173000      ?             ?      
1 1 1 45 21 25 o 1.189000       1.120000      ?             ?      
1 1 1 45 21 26 o 0.7023000E-01  1.066000      ?             ?      
1 1 1 45 21 27 o 0.4885000      1.045000      ?             ?      
1 1 1 45 21 28 o 0.9022000      1.037000      ?             ?      
1 1 1 45 21 29 o -1.119000      1.035000      ?             ?      
1 1 1 45 21 30 o 0.4047000      1.157000      ?             ?      
1 1 1 45 21 31 o -0.2119000     1.251000      ?             ?      
1 1 1 45 21 32 o -1.498000      1.289000      ?             ?      
1 1 1 45 21 33 o -1.140000      1.317000      ?             ?      
1 1 1 45 21 34 o -0.8136000     1.069000      ?             ?      
1 1 1 45 21 35 o -0.2016000     1.015000      ?             ?      
1 1 1 45 21 36 o -0.2221000     0.9804000     ?             ?      
1 1 1 45 21 37 o 0.1075000E-01  0.9892000     ?             ?      
1 1 1 45 21 38 o 0.4233000      1.558000      ?             ?      
1 1 1 45 22 0  o -1.339000      1.337000      ?             ?      
1 1 1 45 22 1  o -0.6669000     0.9476000     ?             ?      
1 1 1 45 22 2  o 0.4523000      0.9584000     ?             ?      
1 1 1 45 22 3  o -0.2005000     0.9778000     ?             ?      
1 1 1 45 22 4  o -0.6843000     1.010000      ?             ?      
1 1 1 45 22 5  o -0.6469000     0.9993000     ?             ?      
1 1 1 45 22 6  o -1.134000      0.9983000     ?             ?      
1 1 1 45 22 7  o -1.267000      1.000000      ?             ?      
1 1 1 45 22 8  o -1.657000      1.064000      ?             ?      
1 1 1 45 22 9  o 0.3111000      1.071000      ?             ?      
1 1 1 45 22 10 o -1.653000      0.9691000     ?             ?      
1 1 1 45 22 11 o 0.4000000E-01  0.9744000     ?             ?      
1 1 1 45 22 12 o -0.3488000     0.9685000     ?             ?      
1 1 1 45 22 13 o -0.3193000E-01 0.9787000     ?             ?      
1 1 1 45 22 14 o -1.263000      1.061000      ?             ?      
1 1 1 45 22 15 o 0.1280000      1.067000      ?             ?      
1 1 1 45 22 16 o 0.5426000E-01  1.073000      ?             ?      
1 1 1 45 22 17 o 1.537000       1.085000      ?             ?      
1 1 1 45 22 18 o -0.7744000     1.054000      ?             ?      
1 1 1 45 22 19 o -0.5261000E-01 1.072000      ?             ?      
1 1 1 45 22 20 o -0.4939000     1.093000      ?             ?      
1 1 1 45 22 21 o -0.6960000     1.098000      ?             ?      
1 1 1 45 22 22 o -1.137000      1.104000      ?             ?      
1 1 1 45 22 23 o 2.248000       1.307000      ?             ?      
1 1 1 45 22 24 o -1.086000      1.288000      ?             ?      
1 1 1 45 22 25 o -1.708000      1.268000      ?             ?      
1 1 1 45 22 26 o -2.083000      1.160000      ?             ?      
1 1 1 45 22 27 o -0.2546000     1.112000      ?             ?      
1 1 1 45 22 28 o -1.005000      1.111000      ?             ?      
1 1 1 45 22 29 o -0.4551000     1.069000      ?             ?      
1 1 1 45 22 30 o 1.553000       1.278000      ?             ?      
1 1 1 45 22 31 o -1.095000      1.245000      ?             ?      
1 1 1 45 22 32 o -0.4735000     1.201000      ?             ?      
1 1 1 45 22 33 o -0.6753000     1.152000      ?             ?      
1 1 1 45 22 34 o -0.8622000     1.220000      ?             ?      
1 1 1 45 22 35 o -0.7874000     1.047000      ?             ?      
1 1 1 45 22 36 o 0.8501000      0.9839000     ?             ?      
1 1 1 45 22 37 o 0.9107000      1.025000      ?             ?      
1 1 1 45 22 38 o -1.555000      2.729000      ?             ?      
1 1 1 45 23 0  o 1.279000       1.340000      ?             ?      
1 1 1 45 23 1  o -0.8725000     0.9506000     ?             ?      
1 1 1 45 23 2  o 0.3326000E-01  0.9617000     ?             ?      
1 1 1 45 23 3  o -0.4197000     0.9312000     ?             ?      
1 1 1 45 23 4  o -0.5101000     1.019000      ?             ?      
1 1 1 45 23 5  o -0.9120000E-01 0.9963000     ?             ?      
1 1 1 45 23 6  o 0.3937000      0.9949000     ?             ?      
1 1 1 45 23 7  o 0.5027000E-01  1.020000      ?             ?      
1 1 1 45 23 8  o -0.5973000     1.017000      ?             ?      
1 1 1 45 23 9  o -1.402000      1.109000      ?             ?      
1 1 1 45 23 10 o 0.7168000      1.133000      ?             ?      
1 1 1 45 23 11 o -0.6340000     1.067000      ?             ?      
1 1 1 45 23 12 o 0.3315000E-01  1.060000      ?             ?      
1 1 1 45 23 13 o -0.5775000     1.012000      ?             ?      
1 1 1 45 23 14 o -1.339000      0.9801000     ?             ?      
1 1 1 45 23 15 o -1.253000      1.039000      ?             ?      
1 1 1 45 23 16 o 2.670000       1.082000      ?             ?      
1 1 1 45 23 17 o 0.5292000      1.073000      ?             ?      
1 1 1 45 23 18 o -0.3190000     1.063000      ?             ?      
1 1 1 45 23 19 o -0.7777000     1.071000      ?             ?      
1 1 1 45 23 20 o 0.7072000      1.094000      ?             ?      
1 1 1 45 23 21 o -0.2395000     1.104000      ?             ?      
1 1 1 45 23 22 o -1.991000      1.113000      ?             ?      
1 1 1 45 23 23 o 1.251000       1.115000      ?             ?      
1 1 1 45 23 24 o -1.274000      1.117000      ?             ?      
1 1 1 45 23 25 o -1.635000      1.113000      ?             ?      
1 1 1 45 23 26 f -0.3505000     1.246000      ?             ?      
1 1 1 45 23 27 o -0.8997000     1.231000      ?             ?      
1 1 1 45 23 28 o -1.497000      1.214000      ?             ?      
1 1 1 45 23 29 o -1.132000      1.241000      ?             ?      
1 1 1 45 23 30 o -1.495000      1.333000      ?             ?      
1 1 1 45 23 31 o 0.1407000      1.339000      ?             ?      
1 1 1 45 23 32 o -0.3059000     1.149000      ?             ?      
1 1 1 45 23 33 o 1.291000       1.262000      ?             ?      
1 1 1 45 23 34 o 1.141000       1.193000      ?             ?      
1 1 1 45 23 35 o -1.227000      1.112000      ?             ?      
1 1 1 45 23 36 o -0.6528000     1.032000      ?             ?      
1 1 1 45 23 37 o -0.5949000     1.951000      ?             ?      
1 1 1 45 24 0  o -1.552000      1.343000      ?             ?      
1 1 1 45 24 1  o 0.6627000      0.9610000     ?             ?      
1 1 1 45 24 2  o 0.4421000      0.9652000     ?             ?      
1 1 1 45 24 3  o -0.8099000     0.9290000     ?             ?      
1 1 1 45 24 4  o -0.9998000E-01 1.083000      ?             ?      
1 1 1 45 24 5  o -0.1137000     1.002000      ?             ?      
1 1 1 45 24 6  o 0.1484000      0.9994000     ?             ?      
1 1 1 45 24 7  o 1.304000       1.077000      ?             ?      
1 1 1 45 24 8  o -0.9970000     0.9750000     ?             ?      
1 1 1 45 24 9  o -0.1854000     0.9821000     ?             ?      
1 1 1 45 24 10 o -0.2647000     1.019000      ?             ?      
1 1 1 45 24 11 o 0.6113000      1.081000      ?             ?      
1 1 1 45 24 12 o -1.049000      1.255000      ?             ?      
1 1 1 45 24 13 o 0.2281000      1.204000      ?             ?      
1 1 1 45 24 14 o -0.2468000     1.161000      ?             ?      
1 1 1 45 24 15 o -0.6114000     1.145000      ?             ?      
1 1 1 45 24 16 o -0.6017000     1.046000      ?             ?      
1 1 1 45 24 17 o 1.368000       1.101000      ?             ?      
1 1 1 45 24 18 o 0.2034000      1.093000      ?             ?      
1 1 1 45 24 19 o 0.5215000      1.091000      ?             ?      
1 1 1 45 24 20 o 0.2444000      1.089000      ?             ?      
1 1 1 45 24 21 o 0.3277000      1.111000      ?             ?      
1 1 1 45 24 22 o 0.9300000      1.115000      ?             ?      
1 1 1 45 24 23 o -0.6430000     1.111000      ?             ?      
1 1 1 45 24 24 o -1.026000      1.105000      ?             ?      
1 1 1 45 24 25 o 0.1198000      1.119000      ?             ?      
1 1 1 45 24 26 o -0.4461000     1.125000      ?             ?      
1 1 1 45 24 27 o -0.2240000     1.115000      ?             ?      
1 1 1 45 24 28 o 4.349000       2.303000      ?             ?      
1 1 1 45 24 29 o 0.4956000      1.749000      ?             ?      
1 1 1 45 24 30 o -2.008000      1.646000      ?             ?      
1 1 1 45 24 31 o -0.6053000     1.254000      ?             ?      
1 1 1 45 24 32 o -2.232000      1.158000      ?             ?      
1 1 1 45 24 33 o -0.7632000     1.235000      ?             ?      
1 1 1 45 24 34 o -0.5185000     1.213000      ?             ?      
1 1 1 45 24 35 o 0.4149000      1.165000      ?             ?      
1 1 1 45 24 36 o 0.7625000      1.562000      ?             ?      
1 1 1 45 25 0  o -3.474000      1.335000      ?             ?      
1 1 1 45 25 1  o -0.2109000     0.9531000     ?             ?      
1 1 1 45 25 2  o 1.445000       0.9754000     ?             ?      
1 1 1 45 25 3  o -1.710000      0.9315000     ?             ?      
1 1 1 45 25 4  o 0.4809000      0.9424000     ?             ?      
1 1 1 45 25 5  o -0.6497000     0.9955000     ?             ?      
1 1 1 45 25 6  o -1.242000      1.015000      ?             ?      
1 1 1 45 25 7  o 0.4256000      1.069000      ?             ?      
1 1 1 45 25 8  o 0.8009000      1.015000      ?             ?      
1 1 1 45 25 9  o -0.8008000     0.9822000     ?             ?      
1 1 1 45 25 10 o -0.8772000     0.9959000     ?             ?      
1 1 1 45 25 11 o -0.8896000     1.058000      ?             ?      
1 1 1 45 25 12 o 1.269000       1.053000      ?             ?      
1 1 1 45 25 13 o -1.429000      1.071000      ?             ?      
1 1 1 45 25 14 o -1.314000      1.085000      ?             ?      
1 1 1 45 25 15 o 0.3519000      1.199000      ?             ?      
1 1 1 45 25 16 o -1.409000      1.205000      ?             ?      
1 1 1 45 25 17 o 1.862000       1.194000      ?             ?      
1 1 1 45 25 18 o -0.2040000     1.223000      ?             ?      
1 1 1 45 25 19 o -0.4197000     1.122000      ?             ?      
1 1 1 45 25 20 o -0.1153000     1.114000      ?             ?      
1 1 1 45 25 21 o -0.6916000     1.113000      ?             ?      
1 1 1 45 25 22 o 0.1366000E-01  1.111000      ?             ?      
1 1 1 45 25 23 o 0.1049000      1.122000      ?             ?      
1 1 1 45 25 24 o -0.9302000     1.116000      ?             ?      
1 1 1 45 25 25 o 0.9984000      1.120000      ?             ?      
1 1 1 45 25 26 o -0.4903000     1.122000      ?             ?      
1 1 1 45 25 27 o -1.067000      1.159000      ?             ?      
1 1 1 45 25 28 o 1.246000       1.410000      ?             ?      
1 1 1 45 25 29 o 1.449000       1.388000      ?             ?      
1 1 1 45 25 30 o -2.074000      2.161000      ?             ?      
1 1 1 45 25 31 o -0.8425000     1.178000      ?             ?      
1 1 1 45 25 32 o -0.4882000     1.282000      ?             ?      
1 1 1 45 25 33 o -0.1528000E-01 1.220000      ?             ?      
1 1 1 45 25 34 o 2.873000       2.493000      ?             ?      
1 1 1 45 25 35 o -0.1762000     1.588000      ?             ?      
1 1 1 45 26 0  o -0.9228000     1.347000      ?             ?      
1 1 1 45 26 1  o -0.9283000     0.9555000     ?             ?      
1 1 1 45 26 2  o -1.144000      0.9214000     ?             ?      
1 1 1 45 26 3  o 0.8891000      0.9363000     ?             ?      
1 1 1 45 26 4  o -1.476000      0.9283000     ?             ?      
1 1 1 45 26 5  o -0.4226000     1.000000      ?             ?      
1 1 1 45 26 6  o 0.8960000      1.114000      ?             ?      
1 1 1 45 26 7  o -0.7271000     1.055000      ?             ?      
1 1 1 45 26 8  o -0.4710000     1.016000      ?             ?      
1 1 1 45 26 9  o -1.123000      1.030000      ?             ?      
1 1 1 45 26 10 o 0.8295000E-01  0.9907000     ?             ?      
1 1 1 45 26 11 o -1.347000      1.046000      ?             ?      
1 1 1 45 26 12 o 0.1872000      1.051000      ?             ?      
1 1 1 45 26 13 o -0.4038000     1.065000      ?             ?      
1 1 1 45 26 14 o -0.9916000     1.050000      ?             ?      
1 1 1 45 26 15 o 1.040000       1.065000      ?             ?      
1 1 1 45 26 16 o 1.753000       1.095000      ?             ?      
1 1 1 45 26 17 o 0.2701000      1.121000      ?             ?      
1 1 1 45 26 18 f -0.4021000E-01 1.232000      ?             ?      
1 1 1 45 26 19 o 1.522000       1.293000      ?             ?      
1 1 1 45 26 20 o -0.2020000     1.235000      ?             ?      
1 1 1 45 26 21 o -1.709000      1.133000      ?             ?      
1 1 1 45 26 22 o -0.5138000     1.119000      ?             ?      
1 1 1 45 26 23 o -0.3248000     1.130000      ?             ?      
1 1 1 45 26 24 o -1.206000      1.127000      ?             ?      
1 1 1 45 26 25 o -0.5479000     1.138000      ?             ?      
1 1 1 45 26 26 o 0.9005000      1.162000      ?             ?      
1 1 1 45 26 27 o -1.716000      1.281000      ?             ?      
1 1 1 45 26 28 o 0.3532000      1.446000      ?             ?      
1 1 1 45 26 29 o -0.2322000     1.433000      ?             ?      
1 1 1 45 26 30 o -0.5254000     1.998000      ?             ?      
1 1 1 45 26 31 o 0.5435000      1.203000      ?             ?      
1 1 1 45 26 32 o -0.2891000     1.251000      ?             ?      
1 1 1 45 26 33 o 1.641000       2.557000      ?             ?      
1 1 1 45 26 34 o 1.471000       1.557000      ?             ?      
1 1 1 45 27 0  o 0.3100000E-01  1.339000      ?             ?      
1 1 1 45 27 1  o -0.4785000     0.9566000     ?             ?      
1 1 1 45 27 2  o 1.039000       0.9264000     ?             ?      
1 1 1 45 27 3  o -0.2579000     0.9388000     ?             ?      
1 1 1 45 27 4  o -0.3145000     0.9251000     ?             ?      
1 1 1 45 27 5  o 0.8054000E-01  1.008000      ?             ?      
1 1 1 45 27 6  o 0.7595000      1.112000      ?             ?      
1 1 1 45 27 7  o -2.173000      1.040000      ?             ?      
1 1 1 45 27 8  o 0.2750000      1.012000      ?             ?      
1 1 1 45 27 9  o 0.7085000E-01  1.022000      ?             ?      
1 1 1 45 27 10 o -0.9517000     1.060000      ?             ?      
1 1 1 45 27 11 f -1.485000      1.035000      ?             ?      
1 1 1 45 27 12 o 0.3677000      1.055000      ?             ?      
1 1 1 45 27 13 o -0.2174000E-01 1.067000      ?             ?      
1 1 1 45 27 14 o -2.300000      1.067000      ?             ?      
1 1 1 45 27 15 o -0.8506000     1.088000      ?             ?      
1 1 1 45 27 16 o 0.1373000E-01  1.087000      ?             ?      
1 1 1 45 27 17 o 0.9686000      1.088000      ?             ?      
1 1 1 45 27 18 o 0.6351000      1.092000      ?             ?      
1 1 1 45 27 19 o -0.3300000     1.121000      ?             ?      
1 1 1 45 27 20 o 0.7118000E-01  1.184000      ?             ?      
1 1 1 45 27 21 o -1.947000      1.258000      ?             ?      
1 1 1 45 27 22 o 1.332000       1.465000      ?             ?      
1 1 1 45 27 23 o -0.9105000     1.279000      ?             ?      
1 1 1 45 27 24 o 0.1787000      2.077000      ?             ?      
1 1 1 45 27 25 o 0.8722000      1.158000      ?             ?      
1 1 1 45 27 26 o 1.456000       2.420000      ?             ?      
1 1 1 45 27 27 o -0.5381000     1.465000      ?             ?      
1 1 1 45 27 28 o -0.7778000     1.458000      ?             ?      
1 1 1 45 27 29 o -0.8776000     1.364000      ?             ?      
1 1 1 45 27 30 o 1.135000       1.219000      ?             ?      
1 1 1 45 27 31 o -0.9528000     1.315000      ?             ?      
1 1 1 45 27 32 o -2.487000      1.419000      ?             ?      
1 1 1 45 27 33 o 0.9658000      2.218000      ?             ?      
1 1 1 45 28 0  o -1.023000      1.366000      ?             ?      
1 1 1 45 28 1  o -0.6855000     0.9262000     ?             ?      
1 1 1 45 28 2  o -0.7268000E-01 0.9217000     ?             ?      
1 1 1 45 28 3  o -1.085000      1.003000      ?             ?      
1 1 1 45 28 4  o -0.4050000     0.9210000     ?             ?      
1 1 1 45 28 5  o 1.042000       0.9288000     ?             ?      
1 1 1 45 28 6  o 1.290000       1.118000      ?             ?      
1 1 1 45 28 7  o 0.6358000      1.044000      ?             ?      
1 1 1 45 28 8  o -1.789000      1.022000      ?             ?      
1 1 1 45 28 9  o -0.3531000     1.053000      ?             ?      
1 1 1 45 28 10 o -0.3996000     1.034000      ?             ?      
1 1 1 45 28 11 o 1.112000       1.114000      ?             ?      
1 1 1 45 28 12 o 1.581000       1.064000      ?             ?      
1 1 1 45 28 13 o 0.2430000      1.070000      ?             ?      
1 1 1 45 28 14 o -1.297000      1.073000      ?             ?      
1 1 1 45 28 15 o -1.161000      1.094000      ?             ?      
1 1 1 45 28 16 o -0.8240000     1.100000      ?             ?      
1 1 1 45 28 17 o -1.054000      1.071000      ?             ?      
1 1 1 45 28 18 o -0.3183000     1.085000      ?             ?      
1 1 1 45 28 19 o 0.7687000E-02  1.094000      ?             ?      
1 1 1 45 28 20 o -0.4640000     1.110000      ?             ?      
1 1 1 45 28 21 o 0.6305000      1.184000      ?             ?      
1 1 1 45 28 22 o -0.4513000     1.175000      ?             ?      
1 1 1 45 28 23 o 0.5447000      1.205000      ?             ?      
1 1 1 45 28 24 o 0.2801000      1.299000      ?             ?      
1 1 1 45 28 25 o -2.902000      1.570000      ?             ?      
1 1 1 45 28 26 o 0.4431000      1.108000      ?             ?      
1 1 1 45 28 27 o -2.772000      1.469000      ?             ?      
1 1 1 45 28 28 o -0.3910000E-01 1.310000      ?             ?      
1 1 1 45 28 29 o -0.5108000E-01 1.278000      ?             ?      
1 1 1 45 28 30 o 1.912000       1.295000      ?             ?      
1 1 1 45 28 31 o -0.2416000     1.489000      ?             ?      
1 1 1 45 28 32 o -1.526000      2.252000      ?             ?      
1 1 1 45 29 0  o 0.9821000      1.405000      ?             ?      
1 1 1 45 29 1  o -0.5571000     0.9359000     ?             ?      
1 1 1 45 29 2  o -0.2569000     0.9270000     ?             ?      
1 1 1 45 29 3  o -1.035000      1.005000      ?             ?      
1 1 1 45 29 4  o -1.221000      0.9237000     ?             ?      
1 1 1 45 29 5  o 1.011000       0.9346000     ?             ?      
1 1 1 45 29 6  o 0.5343000E-01  1.069000      ?             ?      
1 1 1 45 29 7  o 0.2256000      1.046000      ?             ?      
1 1 1 45 29 8  o -1.849000      1.043000      ?             ?      
1 1 1 45 29 9  o -1.745000      1.040000      ?             ?      
1 1 1 45 29 10 o -0.9450000     1.055000      ?             ?      
1 1 1 45 29 11 o -1.677000      1.111000      ?             ?      
1 1 1 45 29 12 o -0.2403000E-01 1.060000      ?             ?      
1 1 1 45 29 13 o 0.9660000      1.060000      ?             ?      
1 1 1 45 29 14 o -0.5539000     1.071000      ?             ?      
1 1 1 45 29 15 o -0.8468000     1.091000      ?             ?      
1 1 1 45 29 16 o -0.1218000     1.101000      ?             ?      
1 1 1 45 29 17 o -0.8672000     1.092000      ?             ?      
1 1 1 45 29 18 o 1.006000       1.112000      ?             ?      
1 1 1 45 29 19 o -1.352000      1.099000      ?             ?      
1 1 1 45 29 20 o -0.2405000     1.114000      ?             ?      
1 1 1 45 29 21 o -1.415000      1.129000      ?             ?      
1 1 1 45 29 22 o -0.7994000     1.154000      ?             ?      
1 1 1 45 29 23 o -1.103000      1.174000      ?             ?      
1 1 1 45 29 24 o -0.7508000     1.199000      ?             ?      
1 1 1 45 29 25 o -0.7632000     1.517000      ?             ?      
1 1 1 45 29 26 o 0.7877000      1.534000      ?             ?      
1 1 1 45 29 27 o 0.5831000      1.508000      ?             ?      
1 1 1 45 29 28 o 0.1613000E-01  1.574000      ?             ?      
1 1 1 45 29 29 o 0.6176000      1.423000      ?             ?      
1 1 1 45 29 30 o -0.2004000     1.609000      ?             ?      
1 1 1 45 29 31 o -2.089000      4.240000      ?             ?      
1 1 1 45 30 0  o 0.3039000      1.400000      ?             ?      
1 1 1 45 30 1  f 0.3386000      0.9466000     ?             ?      
1 1 1 45 30 2  o 0.9003000      0.9356000     ?             ?      
1 1 1 45 30 3  o -0.2983000     0.9256000     ?             ?      
1 1 1 45 30 4  o -0.7337000     0.9301000     ?             ?      
1 1 1 45 30 5  o -0.2112000     0.9619000     ?             ?      
1 1 1 45 30 6  o 1.177000       1.034000      ?             ?      
1 1 1 45 30 7  o 1.331000       1.068000      ?             ?      
1 1 1 45 30 8  o 0.5778000      1.073000      ?             ?      
1 1 1 45 30 9  o 0.1572000      1.059000      ?             ?      
1 1 1 45 30 10 o 0.6396000      1.073000      ?             ?      
1 1 1 45 30 11 o -0.8144000     1.122000      ?             ?      
1 1 1 45 30 12 o -0.3585000     1.142000      ?             ?      
1 1 1 45 30 13 o -0.4451000     1.078000      ?             ?      
1 1 1 45 30 14 o -0.3248000     1.083000      ?             ?      
1 1 1 45 30 15 o -0.1083000     1.103000      ?             ?      
1 1 1 45 30 16 o 0.6358000      1.109000      ?             ?      
1 1 1 45 30 17 o -0.1480000     1.107000      ?             ?      
1 1 1 45 30 18 o 0.4401000      1.140000      ?             ?      
1 1 1 45 30 19 o 0.6457000      1.133000      ?             ?      
1 1 1 45 30 20 o -0.3835000     1.144000      ?             ?      
1 1 1 45 30 21 o -0.2751000     1.146000      ?             ?      
1 1 1 45 30 22 o -1.436000      1.048000      ?             ?      
1 1 1 45 30 23 o -1.073000      1.184000      ?             ?      
1 1 1 45 30 24 o 0.7420000      1.348000      ?             ?      
1 1 1 45 30 25 o -0.9156000     1.520000      ?             ?      
1 1 1 45 30 26 o -0.5315000     1.544000      ?             ?      
1 1 1 45 30 27 o 1.106000       1.216000      ?             ?      
1 1 1 45 30 28 o -0.2479000     1.312000      ?             ?      
1 1 1 45 30 29 o -0.5505000     1.639000      ?             ?      
1 1 1 45 30 30 < 0.000000       -1.000000     ?             ?      
1 1 1 45 31 0  o -0.1037000     1.295000      ?             ?      
1 1 1 45 31 1  o 0.8404000      0.9449000     ?             ?      
1 1 1 45 31 2  o 0.8271000      0.9383000     ?             ?      
1 1 1 45 31 3  o 0.8408000      0.9374000     ?             ?      
1 1 1 45 31 4  o -0.9931000     0.9307000     ?             ?      
1 1 1 45 31 5  o 0.4266000      1.058000      ?             ?      
1 1 1 45 31 6  o -1.348000      1.041000      ?             ?      
1 1 1 45 31 7  o 0.2420000      1.070000      ?             ?      
1 1 1 45 31 8  o 0.2525000      1.088000      ?             ?      
1 1 1 45 31 9  o 0.9854000      1.098000      ?             ?      
1 1 1 45 31 10 o -0.8980000     1.066000      ?             ?      
1 1 1 45 31 11 o 0.9919000      1.155000      ?             ?      
1 1 1 45 31 12 o 1.270000       1.176000      ?             ?      
1 1 1 45 31 13 o 0.2215000E-01  1.195000      ?             ?      
1 1 1 45 31 14 o 0.4120000E-01  1.104000      ?             ?      
1 1 1 45 31 15 o -0.6809000     1.113000      ?             ?      
1 1 1 45 31 16 o 0.3329000      1.125000      ?             ?      
1 1 1 45 31 17 o 0.2816000      1.134000      ?             ?      
1 1 1 45 31 18 o -0.6927000E-01 1.150000      ?             ?      
1 1 1 45 31 19 o -0.7092000     1.145000      ?             ?      
1 1 1 45 31 20 o -0.5539000     1.158000      ?             ?      
1 1 1 45 31 21 o -0.1027000     1.157000      ?             ?      
1 1 1 45 31 22 o 0.9713000E-01  1.193000      ?             ?      
1 1 1 45 31 23 o -1.393000      1.353000      ?             ?      
1 1 1 45 31 24 o -1.248000      1.541000      ?             ?      
1 1 1 45 31 25 o -0.3096000     1.123000      ?             ?      
1 1 1 45 31 26 o -1.425000      1.330000      ?             ?      
1 1 1 45 31 27 o 3.111000       1.643000      ?             ?      
1 1 1 45 31 28 o 1.132000       1.615000      ?             ?      
1 1 1 45 32 0  o 1.177000       1.308000      ?             ?      
1 1 1 45 32 1  o -0.6942000     0.9515000     ?             ?      
1 1 1 45 32 2  o -0.6711000     1.028000      ?             ?      
1 1 1 45 32 3  o -1.004000      0.9393000     ?             ?      
1 1 1 45 32 4  o 0.2778000      0.9452000     ?             ?      
1 1 1 45 32 5  o -0.6177000     1.093000      ?             ?      
1 1 1 45 32 6  o 0.6920000      1.032000      ?             ?      
1 1 1 45 32 7  o 0.2470000      1.034000      ?             ?      
1 1 1 45 32 8  o 0.7791000E-02  1.083000      ?             ?      
1 1 1 45 32 9  o -0.6954000     1.094000      ?             ?      
1 1 1 45 32 10 o 0.2178000      1.112000      ?             ?      
1 1 1 45 32 11 o -0.1869000     1.178000      ?             ?      
1 1 1 45 32 12 o 0.3832000      1.192000      ?             ?      
1 1 1 45 32 13 o -0.8844000     1.199000      ?             ?      
1 1 1 45 32 14 o 0.5280000      1.222000      ?             ?      
1 1 1 45 32 15 o 1.436000       1.132000      ?             ?      
1 1 1 45 32 16 o 1.631000       1.151000      ?             ?      
1 1 1 45 32 17 o 0.8617000      1.149000      ?             ?      
1 1 1 45 32 18 o 0.8812000      1.145000      ?             ?      
1 1 1 45 32 19 o -0.2635000     1.152000      ?             ?      
1 1 1 45 32 20 o 1.128000       1.177000      ?             ?      
1 1 1 45 32 21 o -1.417000      1.187000      ?             ?      
1 1 1 45 32 22 o -0.6064000     1.237000      ?             ?      
1 1 1 45 32 23 o -1.105000      1.664000      ?             ?      
1 1 1 45 32 24 o 0.4014000      1.665000      ?             ?      
1 1 1 45 32 25 o 0.9372000      1.616000      ?             ?      
1 1 1 45 32 26 o -1.163000      2.901000      ?             ?      
1 1 1 45 32 27 < 0.000000       -1.000000     ?             ?      
1 1 1 45 33 0  o -1.680000      1.306000      ?             ?      
1 1 1 45 33 1  o -1.415000      0.9568000     ?             ?      
1 1 1 45 33 2  o 0.3853000      1.032000      ?             ?      
1 1 1 45 33 3  o -1.053000      0.9375000     ?             ?      
1 1 1 45 33 4  o -0.3566000E-01 0.9480000     ?             ?      
1 1 1 45 33 5  o -0.9103000     1.083000      ?             ?      
1 1 1 45 33 6  o 0.2951000      1.030000      ?             ?      
1 1 1 45 33 7  o -1.275000      1.030000      ?             ?      
1 1 1 45 33 8  o 1.006000       1.055000      ?             ?      
1 1 1 45 33 9  o 0.3562000      1.100000      ?             ?      
1 1 1 45 33 10 f 0.6044000      1.099000      ?             ?      
1 1 1 45 33 11 o -0.3247000E-01 1.201000      ?             ?      
1 1 1 45 33 12 o 0.1737000      1.215000      ?             ?      
1 1 1 45 33 13 o 0.8431000      1.218000      ?             ?      
1 1 1 45 33 14 o 1.147000       1.248000      ?             ?      
1 1 1 45 33 15 o 0.3842000      1.242000      ?             ?      
1 1 1 45 33 16 o 0.4642000      1.148000      ?             ?      
1 1 1 45 33 17 o -0.3745000     1.150000      ?             ?      
1 1 1 45 33 18 o 1.885000       1.165000      ?             ?      
1 1 1 45 33 19 o -0.2005000     1.166000      ?             ?      
1 1 1 45 33 20 o 1.621000       1.185000      ?             ?      
1 1 1 45 33 21 o -0.6436000     1.222000      ?             ?      
1 1 1 45 33 22 o 1.198000       1.676000      ?             ?      
1 1 1 45 33 23 o 1.004000       1.670000      ?             ?      
1 1 1 45 33 24 o 3.598000       4.383000      ?             ?      
1 1 1 45 33 25 o -0.1325000     3.007000      ?             ?      
1 1 1 45 34 0  o -0.9207000     1.304000      ?             ?      
1 1 1 45 34 1  o 0.4594000      0.9221000     ?             ?      
1 1 1 45 34 2  o 0.2946000      1.032000      ?             ?      
1 1 1 45 34 3  o 0.4352000      0.9543000     ?             ?      
1 1 1 45 34 4  o 1.020000       0.9578000     ?             ?      
1 1 1 45 34 5  o 0.3627000      1.095000      ?             ?      
1 1 1 45 34 6  o -0.6062000     1.032000      ?             ?      
1 1 1 45 34 7  o -1.158000      1.040000      ?             ?      
1 1 1 45 34 8  o 0.3177000      1.056000      ?             ?      
1 1 1 45 34 9  o 2.277000       1.106000      ?             ?      
1 1 1 45 34 10 o -0.5541000     1.103000      ?             ?      
1 1 1 45 34 11 o -0.4356000     1.199000      ?             ?      
1 1 1 45 34 12 o 0.1219000      1.226000      ?             ?      
1 1 1 45 34 13 o -0.3934000     1.224000      ?             ?      
1 1 1 45 34 14 o -0.2331000     2.249000      ?             ?      
1 1 1 45 34 15 o -1.850000      1.242000      ?             ?      
1 1 1 45 34 16 o -1.422000      1.252000      ?             ?      
1 1 1 45 34 17 o 1.224000       1.162000      ?             ?      
1 1 1 45 34 18 o -1.725000      1.168000      ?             ?      
1 1 1 45 34 19 o 0.6708000      1.183000      ?             ?      
1 1 1 45 34 20 o -3.179000      1.206000      ?             ?      
1 1 1 45 34 21 o 0.2230000E-01  1.663000      ?             ?      
1 1 1 45 34 22 o -2.125000      2.210000      ?             ?      
1 1 1 45 34 23 o -2.242000      2.226000      ?             ?      
1 1 1 45 35 0  o -0.6452000E-01 1.319000      ?             ?      
1 1 1 45 35 1  o 0.9611000      0.9351000     ?             ?      
1 1 1 45 35 2  o -0.9439000     1.048000      ?             ?      
1 1 1 45 35 3  o -0.2561000E-01 0.9583000     ?             ?      
1 1 1 45 35 4  o -0.9161000E-01 0.9636000     ?             ?      
1 1 1 45 35 5  o -0.9023000     1.048000      ?             ?      
1 1 1 45 35 6  o 0.1829000      1.764000      ?             ?      
1 1 1 45 35 7  o 0.5994000      1.047000      ?             ?      
1 1 1 45 35 8  o 0.9609000      1.065000      ?             ?      
1 1 1 45 35 9  o 0.8702000E-01  1.115000      ?             ?      
1 1 1 45 35 10 o -0.5705000     1.096000      ?             ?      
1 1 1 45 35 11 o 2.045000       1.209000      ?             ?      
1 1 1 45 35 12 o 0.7089000      1.218000      ?             ?      
1 1 1 45 35 13 o -2.215000      1.236000      ?             ?      
1 1 1 45 35 14 o -2.164000      1.239000      ?             ?      
1 1 1 45 35 15 o -1.585000      2.260000      ?             ?      
1 1 1 45 35 16 o -0.3499000     1.274000      ?             ?      
1 1 1 45 35 17 o -0.5764000     1.283000      ?             ?      
1 1 1 45 35 18 f 0.6712000      1.177000      ?             ?      
1 1 1 45 35 19 o -0.5321000     3.082000      ?             ?      
1 1 1 45 35 20 o 1.226000       2.154000      ?             ?      
1 1 1 45 35 21 o 0.1175000E-01  2.247000      ?             ?      
1 1 1 45 36 0  o -0.3491000     1.323000      ?             ?      
1 1 1 45 36 1  o -0.1540000     0.9399000     ?             ?      
1 1 1 45 36 2  o 0.4199000      0.9425000     ?             ?      
1 1 1 45 36 3  o -0.2204000     0.9548000     ?             ?      
1 1 1 45 36 4  f 0.7861000      0.9855000     ?             ?      
1 1 1 45 36 5  o 0.6485000      1.073000      ?             ?      
1 1 1 45 36 6  o 0.9805000      1.054000      ?             ?      
1 1 1 45 36 7  o 0.9089000      1.064000      ?             ?      
1 1 1 45 36 8  o 0.4709000      1.075000      ?             ?      
1 1 1 45 36 9  o 0.9481000      1.082000      ?             ?      
1 1 1 45 36 10 o 1.587000       1.136000      ?             ?      
1 1 1 45 36 11 o -0.7794000     1.132000      ?             ?      
1 1 1 45 36 12 o -0.5788000     1.222000      ?             ?      
1 1 1 45 36 13 f -0.1098000     1.238000      ?             ?      
1 1 1 45 36 14 o -0.8951000E-01 1.285000      ?             ?      
1 1 1 45 36 15 o 1.370000       1.271000      ?             ?      
1 1 1 45 36 16 o -0.1239000     1.289000      ?             ?      
1 1 1 45 36 17 o -0.4703000     1.549000      ?             ?      
1 1 1 45 36 18 o 0.5211000      1.649000      ?             ?      
1 1 1 45 36 19 o 1.001000       1.373000      ?             ?      
1 1 1 45 37 0  o -0.5303000     1.354000      ?             ?      
1 1 1 45 37 1  o -0.3827000     0.9436000     ?             ?      
1 1 1 45 37 2  o 0.1326000      0.9354000     ?             ?      
1 1 1 45 37 3  o -1.075000      0.9631000     ?             ?      
1 1 1 45 37 4  o -2.747000      1.099000      ?             ?      
1 1 1 45 37 5  o -1.036000      1.062000      ?             ?      
1 1 1 45 37 6  o 0.5899000      1.063000      ?             ?      
1 1 1 45 37 7  o 0.3725000      1.078000      ?             ?      
1 1 1 45 37 8  o 1.952000       1.096000      ?             ?      
1 1 1 45 37 9  o 0.1133000      1.104000      ?             ?      
1 1 1 45 37 10 o -0.5738000     1.146000      ?             ?      
1 1 1 45 37 11 o 0.7391000E-05  1.154000      ?             ?      
1 1 1 45 37 12 f 0.9202000      1.236000      ?             ?      
1 1 1 45 37 13 o 1.603000       1.262000      ?             ?      
1 1 1 45 37 14 o 1.075000       1.286000      ?             ?      
1 1 1 45 37 15 o -0.5608000     1.562000      ?             ?      
1 1 1 45 37 16 o 0.1750000      2.199000      ?             ?      
1 1 1 45 38 0  o -1.652000      1.342000      ?             ?      
1 1 1 45 38 1  o -1.319000      0.9816000     ?             ?      
1 1 1 45 38 2  o 0.2670000      0.9382000     ?             ?      
1 1 1 45 38 3  o 1.427000       0.9748000     ?             ?      
1 1 1 45 38 4  o -1.560000      1.112000      ?             ?      
1 1 1 45 38 5  o -0.4326000     1.083000      ?             ?      
1 1 1 45 38 6  o -0.3798000     1.076000      ?             ?      
1 1 1 45 38 7  o -0.5860000     1.096000      ?             ?      
1 1 1 45 38 8  o -0.1124000E-01 1.179000      ?             ?      
1 1 1 45 38 9  o 0.9511000      1.195000      ?             ?      
1 1 1 45 38 10 o 0.5642000      1.259000      ?             ?      
1 1 1 45 38 11 o 2.127000       1.542000      ?             ?      
1 1 1 45 38 12 o -1.079000      1.515000      ?             ?      
1 1 1 45 38 13 o 1.218000       1.603000      ?             ?      
1 1 1 45 39 0  o -1.004000      1.342000      ?             ?      
1 1 1 45 39 1  o -0.8084000     1.569000      ?             ?      
1 1 1 45 39 2  o 0.8045000      1.739000      ?             ?      
1 1 1 45 39 3  o 0.4194000      1.118000      ?             ?      
1 1 1 45 39 4  o -0.5310000     1.538000      ?             ?      
1 1 1 45 39 5  o -0.4408000     1.503000      ?             ?      
1 1 1 45 39 6  o -0.9056000     1.515000      ?             ?      
1 1 1 45 39 7  o 0.3508000      1.528000      ?             ?      
1 1 1 45 39 8  o 0.4765000      1.727000      ?             ?      
1 1 1 45 39 9  < 0.000000       -1.000000     ?             ?      
1 1 1 46 0  0  o 3.551000       1.708000      ?             ?      
1 1 1 46 0  1  o 0.7348000      1.196000      ?             ?      
1 1 1 46 0  2  o 0.2400000E-01  1.214000      ?             ?      
1 1 1 46 0  3  o -0.1359000     1.192000      ?             ?      
1 1 1 46 0  4  o 0.4321000      1.194000      ?             ?      
1 1 1 46 0  5  o 0.7769000      1.203000      ?             ?      
1 1 1 46 0  6  o -0.1282000     1.203000      ?             ?      
1 1 1 46 0  7  o 0.4918000      1.262000      ?             ?      
1 1 1 46 0  8  o -1.224000      1.283000      ?             ?      
1 1 1 46 0  9  o 3.761000       1.317000      ?             ?      
1 1 1 46 0  10 o 0.8975000      1.308000      ?             ?      
1 1 1 46 0  11 o -0.2049000     1.286000      ?             ?      
1 1 1 46 0  12 o -0.6541000     1.289000      ?             ?      
1 1 1 46 0  13 o 2.833000       1.319000      ?             ?      
1 1 1 46 0  14 o -1.677000      1.287000      ?             ?      
1 1 1 46 0  15 o 0.1463000      1.302000      ?             ?      
1 1 1 46 0  16 o 0.1606000      1.288000      ?             ?      
1 1 1 46 0  17 o -0.4125000     1.323000      ?             ?      
1 1 1 46 0  18 o -0.6790000     1.380000      ?             ?      
1 1 1 46 0  19 o 0.2819000      1.333000      ?             ?      
1 1 1 46 0  20 o 1.972000       1.315000      ?             ?      
1 1 1 46 0  21 o -0.3189000     1.315000      ?             ?      
1 1 1 46 0  22 o 0.5277000      1.314000      ?             ?      
1 1 1 46 0  23 o 1.228000       1.289000      ?             ?      
1 1 1 46 0  24 f 0.3011000E-01  1.282000      ?             ?      
1 1 1 46 0  25 o 0.1357000      1.274000      ?             ?      
1 1 1 46 0  26 o -0.2001000E-01 1.271000      ?             ?      
1 1 1 46 0  27 o 0.3843000      1.287000      ?             ?      
1 1 1 46 0  28 o -0.3626000     1.246000      ?             ?      
1 1 1 46 0  29 o 0.3256000E-01  1.232000      ?             ?      
1 1 1 46 0  30 o -2.290000      1.247000      ?             ?      
1 1 1 46 0  31 o -0.5307000     1.260000      ?             ?      
1 1 1 46 0  32 o -2.754000      1.406000      ?             ?      
1 1 1 46 0  33 o -0.2400000     1.513000      ?             ?      
1 1 1 46 0  34 o -0.7172000     1.358000      ?             ?      
1 1 1 46 0  35 o 0.2445000      1.346000      ?             ?      
1 1 1 46 0  36 o 0.7581000E-01  1.301000      ?             ?      
1 1 1 46 0  37 o -0.7291000     1.702000      ?             ?      
1 1 1 46 0  38 o -1.266000      1.704000      ?             ?      
1 1 1 46 0  39 o -1.242000      1.463000      ?             ?      
1 1 1 46 0  40 o -1.141000      1.498000      ?             ?      
1 1 1 46 0  41 o 0.7885000      1.631000      ?             ?      
1 1 1 46 0  42 o -1.081000      1.686000      ?             ?      
1 1 1 46 0  43 o -1.466000      1.551000      ?             ?      
1 1 1 46 1  0  o 0.3279000      1.187000      ?             ?      
1 1 1 46 1  1  o 0.3056000      0.8527000     ?             ?      
1 1 1 46 1  2  o 0.6633000      0.8514000     ?             ?      
1 1 1 46 1  3  o 1.022000       0.8472000     ?             ?      
1 1 1 46 1  4  o 0.3598000      0.8485000     ?             ?      
1 1 1 46 1  5  o 0.1338000      0.8544000     ?             ?      
1 1 1 46 1  6  o 1.534000       0.8534000     ?             ?      
1 1 1 46 1  7  o 1.906000       0.8727000     ?             ?      
1 1 1 46 1  8  o -0.1869000     0.8989000     ?             ?      
1 1 1 46 1  9  o -1.424000      0.9097000     ?             ?      
1 1 1 46 1  10 o -0.5096000     0.9187000     ?             ?      
1 1 1 46 1  11 o -0.6501000     0.9180000     ?             ?      
1 1 1 46 1  12 o 0.8880000      0.9172000     ?             ?      
1 1 1 46 1  13 o 1.248000       0.9211000     ?             ?      
1 1 1 46 1  14 o 0.8758000      0.9300000     ?             ?      
1 1 1 46 1  15 o -2.460000      0.9219000     ?             ?      
1 1 1 46 1  16 o 0.3456000      0.9164000     ?             ?      
1 1 1 46 1  17 o 2.011000       1.007000      ?             ?      
1 1 1 46 1  18 o -0.7418000     1.002000      ?             ?      
1 1 1 46 1  19 o -0.4002000     0.9330000     ?             ?      
1 1 1 46 1  20 o 0.4256000      0.9317000     ?             ?      
1 1 1 46 1  21 o 0.1299000      0.9287000     ?             ?      
1 1 1 46 1  22 o -2.345000      0.9195000     ?             ?      
1 1 1 46 1  23 o 2.102000       0.9243000     ?             ?      
1 1 1 46 1  24 o -0.3054000     0.9047000     ?             ?      
1 1 1 46 1  25 o 1.272000       0.9070000     ?             ?      
1 1 1 46 1  26 o -0.8583000     0.8969000     ?             ?      
1 1 1 46 1  27 o 1.766000       0.8999000     ?             ?      
1 1 1 46 1  28 o 0.2006000      0.8784000     ?             ?      
1 1 1 46 1  29 o -0.1045000E-01 0.8917000     ?             ?      
1 1 1 46 1  30 o -0.8392000     0.9503000     ?             ?      
1 1 1 46 1  31 o -0.4462000     0.9218000     ?             ?      
1 1 1 46 1  32 o -2.421000      0.9223000     ?             ?      
1 1 1 46 1  33 o -0.3054000E-01 0.9317000     ?             ?      
1 1 1 46 1  34 o 1.365000       0.9735000     ?             ?      
1 1 1 46 1  35 o -0.1639000     0.9789000     ?             ?      
1 1 1 46 1  36 o -0.2593000     0.9587000     ?             ?      
1 1 1 46 1  37 o -0.9415000     1.294000      ?             ?      
1 1 1 46 1  38 o 0.2003000      1.301000      ?             ?      
1 1 1 46 1  39 o -1.199000      1.244000      ?             ?      
1 1 1 46 1  40 o 0.1008000      1.044000      ?             ?      
1 1 1 46 1  41 o 0.1194000      1.113000      ?             ?      
1 1 1 46 1  42 o 1.100000       1.115000      ?             ?      
1 1 1 46 1  43 o -0.8078000     1.559000      ?             ?      
1 1 1 46 2  0  o 1.564000       1.204000      ?             ?      
1 1 1 46 2  1  o 0.7282000      0.8534000     ?             ?      
1 1 1 46 2  2  o 2.027000       0.8542000     ?             ?      
1 1 1 46 2  3  o 0.2608000      0.8514000     ?             ?      
1 1 1 46 2  4  o -0.5774000     0.8423000     ?             ?      
1 1 1 46 2  5  o 0.1127000      0.8425000     ?             ?      
1 1 1 46 2  6  o 0.9015000      0.8621000     ?             ?      
1 1 1 46 2  7  o 0.6016000      0.8709000     ?             ?      
1 1 1 46 2  8  o -0.3931000     0.8942000     ?             ?      
1 1 1 46 2  9  o 0.2866000      0.9065000     ?             ?      
1 1 1 46 2  10 o -0.2228000     0.9102000     ?             ?      
1 1 1 46 2  11 o 0.3455000      0.9244000     ?             ?      
1 1 1 46 2  12 o 1.001000       0.9328000     ?             ?      
1 1 1 46 2  13 o 1.347000       0.9365000     ?             ?      
1 1 1 46 2  14 o -0.2554000     0.9459000     ?             ?      
1 1 1 46 2  15 o 0.7595000      0.9279000     ?             ?      
1 1 1 46 2  16 o 0.1635000E-01  0.9320000     ?             ?      
1 1 1 46 2  17 o -0.7892000     0.9789000     ?             ?      
1 1 1 46 2  18 o -0.3622000     0.9693000     ?             ?      
1 1 1 46 2  19 o 2.079000       1.011000      ?             ?      
1 1 1 46 2  20 o 0.5951000E-01  0.9281000     ?             ?      
1 1 1 46 2  21 o -1.039000      0.9193000     ?             ?      
1 1 1 46 2  22 o -0.4507000     0.9252000     ?             ?      
1 1 1 46 2  23 o 0.9176000E-01  0.9183000     ?             ?      
1 1 1 46 2  24 o -0.2978000     0.9025000     ?             ?      
1 1 1 46 2  25 f -0.1733000     0.9060000     ?             ?      
1 1 1 46 2  26 o 0.7391000      0.9067000     ?             ?      
1 1 1 46 2  27 o 1.614000       0.9630000     ?             ?      
1 1 1 46 2  28 f -0.7029000     0.9755000     ?             ?      
1 1 1 46 2  29 o 1.205000       0.9146000     ?             ?      
1 1 1 46 2  30 o 0.1001000      0.9130000     ?             ?      
1 1 1 46 2  31 o 0.1209000E-01  0.8978000     ?             ?      
1 1 1 46 2  32 o -0.4050000     0.9023000     ?             ?      
1 1 1 46 2  33 o 0.4237000      1.276000      ?             ?      
1 1 1 46 2  34 o -0.5799000E-01 0.9086000     ?             ?      
1 1 1 46 2  35 o 0.5121000      0.9070000     ?             ?      
1 1 1 46 2  36 o -0.1331000     1.076000      ?             ?      
1 1 1 46 2  37 o -1.978000      1.334000      ?             ?      
1 1 1 46 2  38 o 3.133000       1.430000      ?             ?      
1 1 1 46 2  39 o -0.9812000     1.445000      ?             ?      
1 1 1 46 2  40 o -1.099000      1.657000      ?             ?      
1 1 1 46 2  41 o -1.110000      1.156000      ?             ?      
1 1 1 46 2  42 o -0.2029000     1.144000      ?             ?      
1 1 1 46 2  43 o -0.3728000     1.544000      ?             ?      
1 1 1 46 3  0  o -1.166000      1.222000      ?             ?      
1 1 1 46 3  1  o -0.9869000     0.8494000     ?             ?      
1 1 1 46 3  2  o 1.660000       0.8650000     ?             ?      
1 1 1 46 3  3  o 0.6275000      0.8532000     ?             ?      
1 1 1 46 3  4  o 1.236000       0.8466000     ?             ?      
1 1 1 46 3  5  o -0.3245000E-01 0.8439000     ?             ?      
1 1 1 46 3  6  o -0.7601000     0.8625000     ?             ?      
1 1 1 46 3  7  o 0.8869000      0.8738000     ?             ?      
1 1 1 46 3  8  o -0.6528000     0.8781000     ?             ?      
1 1 1 46 3  9  o 0.1045000E-01  0.9008000     ?             ?      
1 1 1 46 3  10 o -0.4997000     0.9086000     ?             ?      
1 1 1 46 3  11 o 0.5213000      0.9216000     ?             ?      
1 1 1 46 3  12 o -0.9899000     0.9210000     ?             ?      
1 1 1 46 3  13 o 0.3819000      0.9378000     ?             ?      
1 1 1 46 3  14 o 1.200000       0.9380000     ?             ?      
1 1 1 46 3  15 o -0.1348000     0.9362000     ?             ?      
1 1 1 46 3  16 o -0.4391000     1.025000      ?             ?      
1 1 1 46 3  17 o 0.2599000      0.9805000     ?             ?      
1 1 1 46 3  18 o 0.4242000      0.9731000     ?             ?      
1 1 1 46 3  19 o -0.4692000     0.9830000     ?             ?      
1 1 1 46 3  20 o -0.6110000     0.9535000     ?             ?      
1 1 1 46 3  21 o 0.7373000      0.9223000     ?             ?      
1 1 1 46 3  22 o -0.2114000     0.9180000     ?             ?      
1 1 1 46 3  23 o 1.039000       0.9177000     ?             ?      
1 1 1 46 3  24 o 0.3639000      0.9116000     ?             ?      
1 1 1 46 3  25 o 0.1377000      0.9712000     ?             ?      
1 1 1 46 3  26 o 0.5951000      0.9318000     ?             ?      
1 1 1 46 3  27 o 0.1993000      0.9543000     ?             ?      
1 1 1 46 3  28 o 0.1795000      0.9189000     ?             ?      
1 1 1 46 3  29 o -0.7071000     0.8884000     ?             ?      
1 1 1 46 3  30 o 0.6702000      0.8953000     ?             ?      
1 1 1 46 3  31 o -0.7137000     0.8924000     ?             ?      
1 1 1 46 3  32 o 0.4533000      0.8946000     ?             ?      
1 1 1 46 3  33 o -0.8029000E-01 0.8912000     ?             ?      
1 1 1 46 3  34 o 0.9068000      0.8995000     ?             ?      
1 1 1 46 3  35 o -1.373000      0.9110000     ?             ?      
1 1 1 46 3  36 o 0.5162000      1.074000      ?             ?      
1 1 1 46 3  37 o 1.303000       1.082000      ?             ?      
1 1 1 46 3  38 o 1.667000       1.487000      ?             ?      
1 1 1 46 3  39 o -0.8273000     1.450000      ?             ?      
1 1 1 46 3  40 o -0.9184000E-01 1.158000      ?             ?      
1 1 1 46 3  41 o -0.6966000     1.072000      ?             ?      
1 1 1 46 3  42 o 0.9447000      1.164000      ?             ?      
1 1 1 46 3  43 o -0.4709000     1.449000      ?             ?      
1 1 1 46 4  0  o 1.725000       1.201000      ?             ?      
1 1 1 46 4  1  o -0.6678000     0.8480000     ?             ?      
1 1 1 46 4  2  o 0.6666000E-01  0.8460000     ?             ?      
1 1 1 46 4  3  o 0.3778000      0.8402000     ?             ?      
1 1 1 46 4  4  o 0.3590000      0.8489000     ?             ?      
1 1 1 46 4  5  o -0.5640000     0.8575000     ?             ?      
1 1 1 46 4  6  o -0.5637000     0.8656000     ?             ?      
1 1 1 46 4  7  o 0.4135000      0.8756000     ?             ?      
1 1 1 46 4  8  o -0.2376000     0.8781000     ?             ?      
1 1 1 46 4  9  o -0.2836000     0.9030000     ?             ?      
1 1 1 46 4  10 o -0.7438000     0.9031000     ?             ?      
1 1 1 46 4  11 o -0.5308000     0.9138000     ?             ?      
1 1 1 46 4  12 o -0.8005000     0.9132000     ?             ?      
1 1 1 46 4  13 o 0.7233000      0.9279000     ?             ?      
1 1 1 46 4  14 o 0.6569000      0.9255000     ?             ?      
1 1 1 46 4  15 o 0.9640000      0.9611000     ?             ?      
1 1 1 46 4  16 o -0.1142000     1.004000      ?             ?      
1 1 1 46 4  17 o 0.7271000E-01  0.9923000     ?             ?      
1 1 1 46 4  18 o 1.226000       0.9813000     ?             ?      
1 1 1 46 4  19 o 0.6570000      0.9862000     ?             ?      
1 1 1 46 4  20 o 1.086000       1.018000      ?             ?      
1 1 1 46 4  21 o -0.9062000E-01 0.9273000     ?             ?      
1 1 1 46 4  22 o -1.841000      0.9919000     ?             ?      
1 1 1 46 4  23 o -0.8768000     1.023000      ?             ?      
1 1 1 46 4  24 o -0.8717000     0.9480000     ?             ?      
1 1 1 46 4  25 o -1.338000      0.9404000     ?             ?      
1 1 1 46 4  26 o 0.5420000      0.9051000     ?             ?      
1 1 1 46 4  27 o -1.987000      0.8884000     ?             ?      
1 1 1 46 4  28 o -1.755000      0.9582000     ?             ?      
1 1 1 46 4  29 o -0.2282000     0.8931000     ?             ?      
1 1 1 46 4  30 o 0.7523000      0.8928000     ?             ?      
1 1 1 46 4  31 o 0.8939000      0.8943000     ?             ?      
1 1 1 46 4  32 o 0.8185000      0.9021000     ?             ?      
1 1 1 46 4  33 o -1.201000      0.8878000     ?             ?      
1 1 1 46 4  34 o 0.4376000      0.9010000     ?             ?      
1 1 1 46 4  35 o 0.2109000E-01  0.9201000     ?             ?      
1 1 1 46 4  36 o 0.7703000E-01  1.069000      ?             ?      
1 1 1 46 4  37 o -0.8842000     1.084000      ?             ?      
1 1 1 46 4  38 o -2.053000      1.463000      ?             ?      
1 1 1 46 4  39 o -0.8592000     1.625000      ?             ?      
1 1 1 46 4  40 o 0.2460000      1.729000      ?             ?      
1 1 1 46 4  41 o 0.3261000      1.282000      ?             ?      
1 1 1 46 4  42 o 1.151000       2.004000      ?             ?      
1 1 1 46 4  43 o 0.3461000      1.304000      ?             ?      
1 1 1 46 5  0  o -1.997000      1.195000      ?             ?      
1 1 1 46 5  1  o -0.4485000E-01 0.8432000     ?             ?      
1 1 1 46 5  2  o 0.6936000      0.8382000     ?             ?      
1 1 1 46 5  3  o -0.8113000     0.8408000     ?             ?      
1 1 1 46 5  4  o -0.2061000     0.8477000     ?             ?      
1 1 1 46 5  5  o -0.2702000E-01 0.8651000     ?             ?      
1 1 1 46 5  6  o 0.6500000      0.8697000     ?             ?      
1 1 1 46 5  7  o 1.551000       0.8727000     ?             ?      
1 1 1 46 5  8  o 0.4961000      0.8754000     ?             ?      
1 1 1 46 5  9  o 0.9271000      0.9115000     ?             ?      
1 1 1 46 5  10 o 0.9488000      0.9097000     ?             ?      
1 1 1 46 5  11 o 0.1465000      0.9461000     ?             ?      
1 1 1 46 5  12 o 0.6041000      0.9229000     ?             ?      
1 1 1 46 5  13 o -0.4388000     0.9133000     ?             ?      
1 1 1 46 5  14 o -0.5503000     0.9156000     ?             ?      
1 1 1 46 5  15 o 1.750000       1.028000      ?             ?      
1 1 1 46 5  16 o -0.8143000     0.9799000     ?             ?      
1 1 1 46 5  17 o -0.3692000     0.9832000     ?             ?      
1 1 1 46 5  18 o -0.2281000     0.9882000     ?             ?      
1 1 1 46 5  19 o 0.3638000      0.9868000     ?             ?      
1 1 1 46 5  20 o 0.5165000      0.9904000     ?             ?      
1 1 1 46 5  21 o -0.5994000     1.041000      ?             ?      
1 1 1 46 5  22 o -0.4265000     0.9842000     ?             ?      
1 1 1 46 5  23 o -0.3625000E-01 0.9391000     ?             ?      
1 1 1 46 5  24 o -0.5013000     0.9162000     ?             ?      
1 1 1 46 5  25 o 0.4060000      0.9108000     ?             ?      
1 1 1 46 5  26 o -0.2579000     0.8959000     ?             ?      
1 1 1 46 5  27 o 0.1308000      0.8979000     ?             ?      
1 1 1 46 5  28 o 0.7985000      0.8904000     ?             ?      
1 1 1 46 5  29 o 1.622000       0.8998000     ?             ?      
1 1 1 46 5  30 o 0.1643000E-01  0.8986000     ?             ?      
1 1 1 46 5  31 o 1.021000       0.8987000     ?             ?      
1 1 1 46 5  32 o 1.062000       0.8931000     ?             ?      
1 1 1 46 5  33 o -1.099000      0.8870000     ?             ?      
1 1 1 46 5  34 o -0.4470000     0.8983000     ?             ?      
1 1 1 46 5  35 o -0.2030000     1.066000      ?             ?      
1 1 1 46 5  36 o 0.5426000E-01  1.069000      ?             ?      
1 1 1 46 5  37 o 0.1696000      1.244000      ?             ?      
1 1 1 46 5  38 o 0.5369000      1.401000      ?             ?      
1 1 1 46 5  39 o -0.2189000     1.612000      ?             ?      
1 1 1 46 5  40 o -0.5714000     1.213000      ?             ?      
1 1 1 46 5  41 o -1.434000      1.045000      ?             ?      
1 1 1 46 5  42 o 0.4944000      1.004000      ?             ?      
1 1 1 46 5  43 o 2.957000       1.490000      ?             ?      
1 1 1 46 6  0  o 0.5441000      1.192000      ?             ?      
1 1 1 46 6  1  o -0.8364000E-01 0.8450000     ?             ?      
1 1 1 46 6  2  o -1.072000      0.8367000     ?             ?      
1 1 1 46 6  3  o 0.9291000      0.8370000     ?             ?      
1 1 1 46 6  4  o -1.485000      0.8533000     ?             ?      
1 1 1 46 6  5  o 0.3700000      0.8640000     ?             ?      
1 1 1 46 6  6  o 0.5910000E-01  0.8616000     ?             ?      
1 1 1 46 6  7  o 0.9011000      0.8743000     ?             ?      
1 1 1 46 6  8  o 0.8329000      0.8827000     ?             ?      
1 1 1 46 6  9  o -0.3173000     0.8802000     ?             ?      
1 1 1 46 6  10 o -0.7116000     0.9163000     ?             ?      
1 1 1 46 6  11 o -0.8222000E-02 0.9105000     ?             ?      
1 1 1 46 6  12 o -0.1208000     0.9136000     ?             ?      
1 1 1 46 6  13 o 1.032000       0.9176000     ?             ?      
1 1 1 46 6  14 o 0.8491000      0.9314000     ?             ?      
1 1 1 46 6  15 o 0.8412000E-01  0.9845000     ?             ?      
1 1 1 46 6  16 o 1.412000       0.9925000     ?             ?      
1 1 1 46 6  17 o 0.9302000      0.9942000     ?             ?      
1 1 1 46 6  18 o -0.3270000E-01 1.028000      ?             ?      
1 1 1 46 6  19 o -0.7076000     1.017000      ?             ?      
1 1 1 46 6  20 o 0.4902000      0.9994000     ?             ?      
1 1 1 46 6  21 o -0.2056000     0.9875000     ?             ?      
1 1 1 46 6  22 o 1.070000       0.9395000     ?             ?      
1 1 1 46 6  23 o 0.3692000E-02  0.9179000     ?             ?      
1 1 1 46 6  24 o -0.3373000     0.9246000     ?             ?      
1 1 1 46 6  25 o -0.9970000E-01 0.9037000     ?             ?      
1 1 1 46 6  26 o -0.9577000     0.9013000     ?             ?      
1 1 1 46 6  27 o 0.1213000      0.8895000     ?             ?      
1 1 1 46 6  28 o -0.7016000     0.8918000     ?             ?      
1 1 1 46 6  29 o 0.7415000      0.8967000     ?             ?      
1 1 1 46 6  30 o 0.4511000      0.8944000     ?             ?      
1 1 1 46 6  31 o -0.7687000     0.8976000     ?             ?      
1 1 1 46 6  32 o 1.286000       0.8999000     ?             ?      
1 1 1 46 6  33 o 0.8970000      0.8968000     ?             ?      
1 1 1 46 6  34 o -0.7149000     0.9609000     ?             ?      
1 1 1 46 6  35 o 0.1888000      1.212000      ?             ?      
1 1 1 46 6  36 o 1.118000       1.227000      ?             ?      
1 1 1 46 6  37 o 1.210000       1.458000      ?             ?      
1 1 1 46 6  38 o 0.7240000      1.616000      ?             ?      
1 1 1 46 6  39 o -1.334000      1.383000      ?             ?      
1 1 1 46 6  40 o -1.378000      1.203000      ?             ?      
1 1 1 46 6  41 o -0.1764000     1.052000      ?             ?      
1 1 1 46 6  42 o -1.267000      1.388000      ?             ?      
1 1 1 46 6  43 o -0.5902000     3.158000      ?             ?      
1 1 1 46 7  0  o -0.3297000     1.192000      ?             ?      
1 1 1 46 7  1  o -0.7197000     0.8460000     ?             ?      
1 1 1 46 7  2  o -0.5177000     0.8606000     ?             ?      
1 1 1 46 7  3  o 0.7033000      0.8432000     ?             ?      
1 1 1 46 7  4  o -0.8905000     0.8543000     ?             ?      
1 1 1 46 7  5  o 0.2335000      0.8598000     ?             ?      
1 1 1 46 7  6  o -1.129000      0.8619000     ?             ?      
1 1 1 46 7  7  o -1.569000      0.8577000     ?             ?      
1 1 1 46 7  8  o -0.3590000     0.8668000     ?             ?      
1 1 1 46 7  9  o 2.032000       0.8819000     ?             ?      
1 1 1 46 7  10 o 0.3834000      0.9103000     ?             ?      
1 1 1 46 7  11 o 0.2590000      0.9242000     ?             ?      
1 1 1 46 7  12 o 0.8422000E-01  0.9102000     ?             ?      
1 1 1 46 7  13 o 1.381000       0.9214000     ?             ?      
1 1 1 46 7  14 o -0.6894000     1.021000      ?             ?      
1 1 1 46 7  15 o -0.5984000     0.9855000     ?             ?      
1 1 1 46 7  16 o 1.903000       1.024000      ?             ?      
1 1 1 46 7  17 o 1.044000       1.020000      ?             ?      
1 1 1 46 7  18 o -0.1035000     1.004000      ?             ?      
1 1 1 46 7  19 o -0.6121000     0.9945000     ?             ?      
1 1 1 46 7  20 o -0.9946000     0.9880000     ?             ?      
1 1 1 46 7  21 o 0.8391000      0.9853000     ?             ?      
1 1 1 46 7  22 o -0.1240000     1.020000      ?             ?      
1 1 1 46 7  23 o 0.6279000E-01  0.9379000     ?             ?      
1 1 1 46 7  24 o 1.058000       0.9082000     ?             ?      
1 1 1 46 7  25 o -1.178000      0.9013000     ?             ?      
1 1 1 46 7  26 o 0.3685000      0.9033000     ?             ?      
1 1 1 46 7  27 o -0.5164000E-01 0.8960000     ?             ?      
1 1 1 46 7  28 o -1.264000      0.8966000     ?             ?      
1 1 1 46 7  29 o -0.3617000     0.8936000     ?             ?      
1 1 1 46 7  30 o -0.8237000     0.8992000     ?             ?      
1 1 1 46 7  31 o 0.3204000      0.8979000     ?             ?      
1 1 1 46 7  32 o -0.4277000     0.9430000     ?             ?      
1 1 1 46 7  33 o -0.8693000     0.9468000     ?             ?      
1 1 1 46 7  34 o -0.1875000E-01 1.064000      ?             ?      
1 1 1 46 7  35 o 0.5166000      1.204000      ?             ?      
1 1 1 46 7  36 o 1.343000       1.103000      ?             ?      
1 1 1 46 7  37 o 0.1032000      1.151000      ?             ?      
1 1 1 46 7  38 o -1.676000      1.071000      ?             ?      
1 1 1 46 7  39 o -0.8957000     1.373000      ?             ?      
1 1 1 46 7  40 o 0.5643000      1.175000      ?             ?      
1 1 1 46 7  41 o -1.421000      0.9941000     ?             ?      
1 1 1 46 7  42 o -1.006000      1.056000      ?             ?      
1 1 1 46 8  0  o -1.646000      1.189000      ?             ?      
1 1 1 46 8  1  o -0.2627000     0.8406000     ?             ?      
1 1 1 46 8  2  o -1.130000      0.8424000     ?             ?      
1 1 1 46 8  3  o -1.030000      0.8539000     ?             ?      
1 1 1 46 8  4  o 0.3791000      0.8499000     ?             ?      
1 1 1 46 8  5  o 0.6853000      0.8648000     ?             ?      
1 1 1 46 8  6  o -1.335000      0.8637000     ?             ?      
1 1 1 46 8  7  o -0.6031000     0.8613000     ?             ?      
1 1 1 46 8  8  o 0.6406000      0.8726000     ?             ?      
1 1 1 46 8  9  o -1.041000      0.9045000     ?             ?      
1 1 1 46 8  10 o 0.3085000      0.9029000     ?             ?      
1 1 1 46 8  11 o -1.346000      0.9043000     ?             ?      
1 1 1 46 8  12 o -0.3230000E-01 0.9099000     ?             ?      
1 1 1 46 8  13 o 0.5539000      0.9856000     ?             ?      
1 1 1 46 8  14 o 1.979000       1.046000      ?             ?      
1 1 1 46 8  15 o 0.1330000      1.011000      ?             ?      
1 1 1 46 8  16 o -0.1327000     0.9919000     ?             ?      
1 1 1 46 8  17 o -0.1060000     0.9903000     ?             ?      
1 1 1 46 8  18 o 1.008000       0.9846000     ?             ?      
1 1 1 46 8  19 o 0.4463000      0.9890000     ?             ?      
1 1 1 46 8  20 o 1.061000       1.000000      ?             ?      
1 1 1 46 8  21 o -0.7161000     0.9862000     ?             ?      
1 1 1 46 8  22 o -1.061000      0.9811000     ?             ?      
1 1 1 46 8  23 o -0.9159000     1.027000      ?             ?      
1 1 1 46 8  24 o 0.8601000      0.9087000     ?             ?      
1 1 1 46 8  25 o -0.5383000     0.9022000     ?             ?      
1 1 1 46 8  26 o -1.397000      0.8990000     ?             ?      
1 1 1 46 8  27 o -1.019000      0.9090000     ?             ?      
1 1 1 46 8  28 o -0.5326000E-01 0.8959000     ?             ?      
1 1 1 46 8  29 o -0.7529000     0.9369000     ?             ?      
1 1 1 46 8  30 o 0.2360000      0.9431000     ?             ?      
1 1 1 46 8  31 o 0.7384000E-01  1.036000      ?             ?      
1 1 1 46 8  32 o 0.3140000      1.040000      ?             ?      
1 1 1 46 8  33 o -1.614000      0.9100000     ?             ?      
1 1 1 46 8  34 o -1.398000      1.069000      ?             ?      
1 1 1 46 8  35 o -0.7039000     1.073000      ?             ?      
1 1 1 46 8  36 o -0.3862000     1.108000      ?             ?      
1 1 1 46 8  37 o -1.049000      1.047000      ?             ?      
1 1 1 46 8  38 o -1.872000      1.042000      ?             ?      
1 1 1 46 8  39 o -0.9536000     1.157000      ?             ?      
1 1 1 46 8  40 o -0.3945000     1.161000      ?             ?      
1 1 1 46 8  41 o -0.5989000     1.164000      ?             ?      
1 1 1 46 8  42 o -1.241000      1.056000      ?             ?      
1 1 1 46 9  0  o -1.746000      1.187000      ?             ?      
1 1 1 46 9  1  o -0.3196000     0.8370000     ?             ?      
1 1 1 46 9  2  o -0.2260000     0.8420000     ?             ?      
1 1 1 46 9  3  o -1.672000      0.8538000     ?             ?      
1 1 1 46 9  4  o -1.066000      0.8528000     ?             ?      
1 1 1 46 9  5  o 0.9359000      0.8500000     ?             ?      
1 1 1 46 9  6  o -0.3260000     0.8617000     ?             ?      
1 1 1 46 9  7  o 1.091000       0.8934000     ?             ?      
1 1 1 46 9  8  o 0.3541000      0.8928000     ?             ?      
1 1 1 46 9  9  o -0.6265000     0.8740000     ?             ?      
1 1 1 46 9  10 o 0.8661000      0.9005000     ?             ?      
1 1 1 46 9  11 o -0.3185000     0.9693000     ?             ?      
1 1 1 46 9  12 o 0.6834000      0.9647000     ?             ?      
1 1 1 46 9  13 o 0.2995000      1.062000      ?             ?      
1 1 1 46 9  14 o -1.486000      0.9945000     ?             ?      
1 1 1 46 9  15 o -0.6181000     0.9998000     ?             ?      
1 1 1 46 9  16 o -1.759000      0.9993000     ?             ?      
1 1 1 46 9  17 o -0.7976000     1.000000      ?             ?      
1 1 1 46 9  18 o -0.4603000     0.9888000     ?             ?      
1 1 1 46 9  19 o -0.2002000     0.9811000     ?             ?      
1 1 1 46 9  20 o -0.5052000     0.9862000     ?             ?      
1 1 1 46 9  21 o -0.1073000     0.9837000     ?             ?      
1 1 1 46 9  22 o -1.543000      0.9857000     ?             ?      
1 1 1 46 9  23 o 0.9611000      0.9826000     ?             ?      
1 1 1 46 9  24 o -0.2083000     0.9405000     ?             ?      
1 1 1 46 9  25 o -1.173000      0.9099000     ?             ?      
1 1 1 46 9  26 o -0.3461000     0.9051000     ?             ?      
1 1 1 46 9  27 o -0.2947000     0.9573000     ?             ?      
1 1 1 46 9  28 o 0.7253000      0.9511000     ?             ?      
1 1 1 46 9  29 o -0.7925000     1.028000      ?             ?      
1 1 1 46 9  30 o -0.8529000     1.034000      ?             ?      
1 1 1 46 9  31 o -0.2155000     0.8968000     ?             ?      
1 1 1 46 9  32 o 0.6526000      0.9010000     ?             ?      
1 1 1 46 9  33 o 0.1959000      0.9119000     ?             ?      
1 1 1 46 9  34 o -1.251000      1.056000      ?             ?      
1 1 1 46 9  35 o -0.6254000     1.099000      ?             ?      
1 1 1 46 9  36 o 0.9946000      1.181000      ?             ?      
1 1 1 46 9  37 o -0.2030000E-01 1.044000      ?             ?      
1 1 1 46 9  38 o -1.823000      1.517000      ?             ?      
1 1 1 46 9  39 o 0.9921000E-01  1.794000      ?             ?      
1 1 1 46 9  40 o -0.1729000E-01 1.125000      ?             ?      
1 1 1 46 9  41 o 0.5953000      1.129000      ?             ?      
1 1 1 46 9  42 o -2.471000      1.279000      ?             ?      
1 1 1 46 10 0  o -0.7492000     1.182000      ?             ?      
1 1 1 46 10 1  o -0.7259000     0.8344000     ?             ?      
1 1 1 46 10 2  o -0.3049000     0.8504000     ?             ?      
1 1 1 46 10 3  o 0.6041000      0.8507000     ?             ?      
1 1 1 46 10 4  o -0.4178000     0.8646000     ?             ?      
1 1 1 46 10 5  o -0.2207000     0.8636000     ?             ?      
1 1 1 46 10 6  o -0.5823000     0.8581000     ?             ?      
1 1 1 46 10 7  o -0.9916000     0.8683000     ?             ?      
1 1 1 46 10 8  o -0.8567000     0.9306000     ?             ?      
1 1 1 46 10 9  o -1.226000      0.9987000     ?             ?      
1 1 1 46 10 10 o -0.7719000     0.9263000     ?             ?      
1 1 1 46 10 11 o -1.294000      0.9126000     ?             ?      
1 1 1 46 10 12 o -1.060000      0.9414000     ?             ?      
1 1 1 46 10 13 o 1.380000       1.021000      ?             ?      
1 1 1 46 10 14 o 0.2468000      1.012000      ?             ?      
1 1 1 46 10 15 o 0.4753000      1.004000      ?             ?      
1 1 1 46 10 16 o -0.4237000     0.9972000     ?             ?      
1 1 1 46 10 17 o -1.210000      0.9867000     ?             ?      
1 1 1 46 10 18 o -1.035000      0.9944000     ?             ?      
1 1 1 46 10 19 o -1.522000      0.9873000     ?             ?      
1 1 1 46 10 20 o 1.433000       0.9864000     ?             ?      
1 1 1 46 10 21 o -1.435000      0.9810000     ?             ?      
1 1 1 46 10 22 o -0.2208000     1.002000      ?             ?      
1 1 1 46 10 23 o -0.2751000     1.015000      ?             ?      
1 1 1 46 10 24 o -1.118000      1.057000      ?             ?      
1 1 1 46 10 25 o -1.254000      0.9826000     ?             ?      
1 1 1 46 10 26 o -0.4500000     0.9183000     ?             ?      
1 1 1 46 10 27 o -0.5240000     1.008000      ?             ?      
1 1 1 46 10 28 o -0.5915000     0.9193000     ?             ?      
1 1 1 46 10 29 o 0.5808000      0.9153000     ?             ?      
1 1 1 46 10 30 o 0.9095000      0.9084000     ?             ?      
1 1 1 46 10 31 o -0.9612000     0.9000000     ?             ?      
1 1 1 46 10 32 o -0.1522000     0.8986000     ?             ?      
1 1 1 46 10 33 o 0.7972000E-01  0.9161000     ?             ?      
1 1 1 46 10 34 o -0.5037000     1.052000      ?             ?      
1 1 1 46 10 35 o -2.120000      1.083000      ?             ?      
1 1 1 46 10 36 o 1.220000       1.050000      ?             ?      
1 1 1 46 10 37 o 0.9865000      1.039000      ?             ?      
1 1 1 46 10 38 o 0.7152000      1.014000      ?             ?      
1 1 1 46 10 39 o -0.4010000     1.119000      ?             ?      
1 1 1 46 10 40 o -2.062000      1.122000      ?             ?      
1 1 1 46 10 41 o -0.8754000E-01 1.229000      ?             ?      
1 1 1 46 10 42 o 0.6397000      2.468000      ?             ?      
1 1 1 46 11 0  o -1.987000      1.178000      ?             ?      
1 1 1 46 11 1  o -1.766000      0.8516000     ?             ?      
1 1 1 46 11 2  o -0.7048000     0.8615000     ?             ?      
1 1 1 46 11 3  o -1.560000      0.8475000     ?             ?      
1 1 1 46 11 4  o -0.1507000     0.8480000     ?             ?      
1 1 1 46 11 5  o -0.5382000E-01 0.9049000     ?             ?      
1 1 1 46 11 6  o -0.6457000     0.9107000     ?             ?      
1 1 1 46 11 7  o 1.464000       0.9945000     ?             ?      
1 1 1 46 11 8  o 0.3920000      0.9109000     ?             ?      
1 1 1 46 11 9  o 0.7618000      0.8875000     ?             ?      
1 1 1 46 11 10 o -1.558000      0.8806000     ?             ?      
1 1 1 46 11 11 o -0.4876000E-01 0.9165000     ?             ?      
1 1 1 46 11 12 o -1.232000      1.036000      ?             ?      
1 1 1 46 11 13 o 0.7392000      1.023000      ?             ?      
1 1 1 46 11 14 o -0.2959000     1.014000      ?             ?      
1 1 1 46 11 15 o -1.775000      1.019000      ?             ?      
1 1 1 46 11 16 o -1.811000      1.002000      ?             ?      
1 1 1 46 11 17 o -1.390000      0.9898000     ?             ?      
1 1 1 46 11 18 o 1.740000       1.148000      ?             ?      
1 1 1 46 11 19 o 1.177000       0.9973000     ?             ?      
1 1 1 46 11 20 o -0.1468000     1.032000      ?             ?      
1 1 1 46 11 21 o -0.2895000     1.031000      ?             ?      
1 1 1 46 11 22 o -0.1658000     1.004000      ?             ?      
1 1 1 46 11 23 o -1.341000      1.007000      ?             ?      
1 1 1 46 11 24 o 0.5802000      1.147000      ?             ?      
1 1 1 46 11 25 o -0.1093000E-01 1.188000      ?             ?      
1 1 1 46 11 26 o -0.6477000     0.9327000     ?             ?      
1 1 1 46 11 27 o -0.9649000     0.9128000     ?             ?      
1 1 1 46 11 28 o -0.3335000     0.9154000     ?             ?      
1 1 1 46 11 29 o -1.029000      0.9139000     ?             ?      
1 1 1 46 11 30 o -0.3974000     0.9041000     ?             ?      
1 1 1 46 11 31 o -0.2854000     0.8947000     ?             ?      
1 1 1 46 11 32 o -0.4672000E-01 0.9035000     ?             ?      
1 1 1 46 11 33 o -0.4894000     1.048000      ?             ?      
1 1 1 46 11 34 o -1.822000      1.075000      ?             ?      
1 1 1 46 11 35 o -0.7452000     1.115000      ?             ?      
1 1 1 46 11 36 o 0.6435000      1.077000      ?             ?      
1 1 1 46 11 37 o -1.207000      1.025000      ?             ?      
1 1 1 46 11 38 o 0.1291000      0.9716000     ?             ?      
1 1 1 46 11 39 o 0.4947000E-01  0.9597000     ?             ?      
1 1 1 46 11 40 o -0.4696000     1.118000      ?             ?      
1 1 1 46 11 41 o 2.890000       1.988000      ?             ?      
1 1 1 46 11 42 o -2.699000      3.018000      ?             ?      
1 1 1 46 12 0  o -0.1508000     1.234000      ?             ?      
1 1 1 46 12 1  o 0.6552000      0.8702000     ?             ?      
1 1 1 46 12 2  o -0.5865000     0.8364000     ?             ?      
1 1 1 46 12 3  o -1.966000      0.9046000     ?             ?      
1 1 1 46 12 4  o -0.8875000     0.9879000     ?             ?      
1 1 1 46 12 5  o -0.5504000     0.8973000     ?             ?      
1 1 1 46 12 6  o -0.8912000E-01 0.8494000     ?             ?      
1 1 1 46 12 7  o 0.6238000      0.8532000     ?             ?      
1 1 1 46 12 8  o -0.9801000     0.8626000     ?             ?      
1 1 1 46 12 9  o -0.3720000     0.8738000     ?             ?      
1 1 1 46 12 10 o -1.096000      0.8662000     ?             ?      
1 1 1 46 12 11 o -1.200000      0.8849000     ?             ?      
1 1 1 46 12 12 o 0.8152000      1.006000      ?             ?      
1 1 1 46 12 13 o -1.852000      1.009000      ?             ?      
1 1 1 46 12 14 o 0.1509000      1.020000      ?             ?      
1 1 1 46 12 15 o -0.8911000     1.019000      ?             ?      
1 1 1 46 12 16 o -0.6377000     1.016000      ?             ?      
1 1 1 46 12 17 o 1.953000       1.011000      ?             ?      
1 1 1 46 12 18 o -1.145000      1.039000      ?             ?      
1 1 1 46 12 19 o 0.1670000E-01  1.085000      ?             ?      
1 1 1 46 12 20 o 0.7735000      1.019000      ?             ?      
1 1 1 46 12 21 o -0.8165000     0.9973000     ?             ?      
1 1 1 46 12 22 o 0.2731000E-01  1.133000      ?             ?      
1 1 1 46 12 23 o 0.6946000      1.149000      ?             ?      
1 1 1 46 12 24 o -0.7808000     0.9919000     ?             ?      
1 1 1 46 12 25 o -0.3913000E-01 0.9933000     ?             ?      
1 1 1 46 12 26 o 0.2954000      1.012000      ?             ?      
1 1 1 46 12 27 o 0.1837000      0.9212000     ?             ?      
1 1 1 46 12 28 o 0.7452000      0.9129000     ?             ?      
1 1 1 46 12 29 o 0.4627000      0.9124000     ?             ?      
1 1 1 46 12 30 o -2.544000      0.9062000     ?             ?      
1 1 1 46 12 31 o 1.608000       0.9114000     ?             ?      
1 1 1 46 12 32 o -0.1719000     0.9071000     ?             ?      
1 1 1 46 12 33 o 0.5166000E-01  1.084000      ?             ?      
1 1 1 46 12 34 o -0.4278000     1.115000      ?             ?      
1 1 1 46 12 35 o -0.1680000     1.175000      ?             ?      
1 1 1 46 12 36 o -0.5493000     1.036000      ?             ?      
1 1 1 46 12 37 o -0.6263000E-01 1.008000      ?             ?      
1 1 1 46 12 38 o -0.8295000E-01 0.9426000     ?             ?      
1 1 1 46 12 39 o -0.3768000     1.099000      ?             ?      
1 1 1 46 12 40 o 1.813000       1.120000      ?             ?      
1 1 1 46 12 41 o -0.5490000     1.222000      ?             ?      
1 1 1 46 13 0  o -0.1786000     1.373000      ?             ?      
1 1 1 46 13 1  o -1.712000      1.011000      ?             ?      
1 1 1 46 13 2  o 0.2343000      0.9385000     ?             ?      
1 1 1 46 13 3  o -0.2346000     0.8754000     ?             ?      
1 1 1 46 13 4  o -0.4774000     0.8507000     ?             ?      
1 1 1 46 13 5  o 0.3346000      0.8485000     ?             ?      
1 1 1 46 13 6  o 0.8031000E-01  0.8540000     ?             ?      
1 1 1 46 13 7  o -0.7157000     0.8578000     ?             ?      
1 1 1 46 13 8  o 0.1290000      0.8700000     ?             ?      
1 1 1 46 13 9  o 1.475000       0.8656000     ?             ?      
1 1 1 46 13 10 o -0.7760000     0.8609000     ?             ?      
1 1 1 46 13 11 o -0.3623000     0.9648000     ?             ?      
1 1 1 46 13 12 o 0.2426000      1.003000      ?             ?      
1 1 1 46 13 13 o 1.223000       1.001000      ?             ?      
1 1 1 46 13 14 o -0.3039000     1.013000      ?             ?      
1 1 1 46 13 15 o 1.053000       1.053000      ?             ?      
1 1 1 46 13 16 o -1.113000      1.047000      ?             ?      
1 1 1 46 13 17 o 1.281000       1.047000      ?             ?      
1 1 1 46 13 18 o 0.4592000      1.053000      ?             ?      
1 1 1 46 13 19 o -0.6381000     1.135000      ?             ?      
1 1 1 46 13 20 o 0.8145000      1.184000      ?             ?      
1 1 1 46 13 21 o -0.2887000     0.9997000     ?             ?      
1 1 1 46 13 22 o 2.070000       1.001000      ?             ?      
1 1 1 46 13 23 o -0.2584000     0.9895000     ?             ?      
1 1 1 46 13 24 o -0.2504000     0.9756000     ?             ?      
1 1 1 46 13 25 o 0.1150000      0.9768000     ?             ?      
1 1 1 46 13 26 o -0.5535000     0.9947000     ?             ?      
1 1 1 46 13 27 o 0.5514000E-01  1.023000      ?             ?      
1 1 1 46 13 28 o 1.472000       0.9103000     ?             ?      
1 1 1 46 13 29 o 1.115000       0.9160000     ?             ?      
1 1 1 46 13 30 o -0.1973000     0.9228000     ?             ?      
1 1 1 46 13 31 o -0.3295000     0.9211000     ?             ?      
1 1 1 46 13 32 o -0.5787000E-01 0.9326000     ?             ?      
1 1 1 46 13 33 o -0.9566000     1.080000      ?             ?      
1 1 1 46 13 34 o 0.5448000      1.136000      ?             ?      
1 1 1 46 13 35 o -0.7941000     1.046000      ?             ?      
1 1 1 46 13 36 o 1.667000       1.009000      ?             ?      
1 1 1 46 13 37 o -0.4342000     0.9663000     ?             ?      
1 1 1 46 13 38 o -0.2042000     1.323000      ?             ?      
1 1 1 46 13 39 o -0.6511000     0.9486000     ?             ?      
1 1 1 46 13 40 o -0.2128000     1.181000      ?             ?      
1 1 1 46 13 41 o -0.8744000     2.243000      ?             ?      
1 1 1 46 14 0  o 0.9055000      1.428000      ?             ?      
1 1 1 46 14 1  o 0.8706000      0.9399000     ?             ?      
1 1 1 46 14 2  o 0.3439000      0.9020000     ?             ?      
1 1 1 46 14 3  o -1.089000      0.8449000     ?             ?      
1 1 1 46 14 4  o -0.8695000     0.8466000     ?             ?      
1 1 1 46 14 5  o -0.5200000     0.8802000     ?             ?      
1 1 1 46 14 6  o -1.065000      0.8779000     ?             ?      
1 1 1 46 14 7  o -0.4229000     0.8668000     ?             ?      
1 1 1 46 14 8  o -0.3274000     0.8793000     ?             ?      
1 1 1 46 14 9  o -0.6788000     0.9175000     ?             ?      
1 1 1 46 14 10 o 1.295000       0.8687000     ?             ?      
1 1 1 46 14 11 o -0.1574000     0.9651000     ?             ?      
1 1 1 46 14 12 o -0.3315000     0.9974000     ?             ?      
1 1 1 46 14 13 o -0.2618000E-01 1.024000      ?             ?      
1 1 1 46 14 14 o -0.9552000     1.034000      ?             ?      
1 1 1 46 14 15 o -0.2347000     1.036000      ?             ?      
1 1 1 46 14 16 o -1.383000      1.026000      ?             ?      
1 1 1 46 14 17 o 0.3738000      1.138000      ?             ?      
1 1 1 46 14 18 o 0.1219000      1.056000      ?             ?      
1 1 1 46 14 19 o 0.1630000      1.059000      ?             ?      
1 1 1 46 14 20 o -0.4368000     1.029000      ?             ?      
1 1 1 46 14 21 o 0.2158000      1.013000      ?             ?      
1 1 1 46 14 22 o -1.054000      0.9963000     ?             ?      
1 1 1 46 14 23 o 0.1226000      0.9884000     ?             ?      
1 1 1 46 14 24 o -0.4059000     0.9900000     ?             ?      
1 1 1 46 14 25 o 0.8599000      1.003000      ?             ?      
1 1 1 46 14 26 o -1.678000      0.9863000     ?             ?      
1 1 1 46 14 27 o 1.320000       0.9951000     ?             ?      
1 1 1 46 14 28 o -1.194000      1.022000      ?             ?      
1 1 1 46 14 29 o -0.4051000     0.9218000     ?             ?      
1 1 1 46 14 30 o 0.8502000      0.9262000     ?             ?      
1 1 1 46 14 31 o -1.683000      0.9318000     ?             ?      
1 1 1 46 14 32 o 0.5330000      1.110000      ?             ?      
1 1 1 46 14 33 o -2.555000      1.126000      ?             ?      
1 1 1 46 14 34 o 0.6558000      1.198000      ?             ?      
1 1 1 46 14 35 o -0.1074000     1.038000      ?             ?      
1 1 1 46 14 36 o -1.230000      1.006000      ?             ?      
1 1 1 46 14 37 o -0.8053000     1.346000      ?             ?      
1 1 1 46 14 38 o -0.5233000E-01 0.9408000     ?             ?      
1 1 1 46 14 39 o 0.5310000      0.9530000     ?             ?      
1 1 1 46 14 40 o -1.291000      1.200000      ?             ?      
1 1 1 46 15 0  o 1.536000       1.257000      ?             ?      
1 1 1 46 15 1  o 0.6167000      0.8765000     ?             ?      
1 1 1 46 15 2  o 0.7162000      0.8588000     ?             ?      
1 1 1 46 15 3  o -0.5069000     0.9272000     ?             ?      
1 1 1 46 15 4  o 0.4812000      1.009000      ?             ?      
1 1 1 46 15 5  o -0.2432000     0.9086000     ?             ?      
1 1 1 46 15 6  o -1.313000      0.8680000     ?             ?      
1 1 1 46 15 7  o 0.8925000      0.8703000     ?             ?      
1 1 1 46 15 8  o -0.5993000     0.8939000     ?             ?      
1 1 1 46 15 9  o -0.6066000     0.8873000     ?             ?      
1 1 1 46 15 10 o -1.075000      0.9291000     ?             ?      
1 1 1 46 15 11 o -2.120000      0.9779000     ?             ?      
1 1 1 46 15 12 o -0.5984000     0.9730000     ?             ?      
1 1 1 46 15 13 o -0.3588000     0.9893000     ?             ?      
1 1 1 46 15 14 o -0.9133000     1.068000      ?             ?      
1 1 1 46 15 15 o -0.4091000     1.081000      ?             ?      
1 1 1 46 15 16 o 0.7745000E-01  1.011000      ?             ?      
1 1 1 46 15 17 o 1.322000       1.022000      ?             ?      
1 1 1 46 15 18 o -0.2081000     1.042000      ?             ?      
1 1 1 46 15 19 o 0.2588000      1.066000      ?             ?      
1 1 1 46 15 20 o -0.3702000     1.023000      ?             ?      
1 1 1 46 15 21 o -0.3595000     1.016000      ?             ?      
1 1 1 46 15 22 o 0.2047000      1.019000      ?             ?      
1 1 1 46 15 23 o 0.1608000      0.9959000     ?             ?      
1 1 1 46 15 24 o 0.6284000      0.9968000     ?             ?      
1 1 1 46 15 25 f -0.6186000     0.9959000     ?             ?      
1 1 1 46 15 26 o 0.6610000      1.001000      ?             ?      
1 1 1 46 15 27 o 0.1540000      0.9994000     ?             ?      
1 1 1 46 15 28 o -0.3673000     1.001000      ?             ?      
1 1 1 46 15 29 o -0.2817000     0.9708000     ?             ?      
1 1 1 46 15 30 o 0.1257000      0.9364000     ?             ?      
1 1 1 46 15 31 o -0.2026000E-01 0.9781000     ?             ?      
1 1 1 46 15 32 o -1.196000      1.140000      ?             ?      
1 1 1 46 15 33 o -0.6180000E-02 1.140000      ?             ?      
1 1 1 46 15 34 o 0.1117000E-01  1.246000      ?             ?      
1 1 1 46 15 35 o 0.3860000      1.017000      ?             ?      
1 1 1 46 15 36 o 0.1349000      0.9909000     ?             ?      
1 1 1 46 15 37 o -0.5823000     0.9356000     ?             ?      
1 1 1 46 15 38 o 0.6586000E-01  0.9483000     ?             ?      
1 1 1 46 15 39 o -0.3178000     0.9683000     ?             ?      
1 1 1 46 15 40 o -2.094000      2.257000      ?             ?      
1 1 1 46 16 0  o 1.117000       1.242000      ?             ?      
1 1 1 46 16 1  o 0.1007000      0.8679000     ?             ?      
1 1 1 46 16 2  o 0.9010000      0.8671000     ?             ?      
1 1 1 46 16 3  o 0.6595000      0.8474000     ?             ?      
1 1 1 46 16 4  o 0.4084000      0.8598000     ?             ?      
1 1 1 46 16 5  o -0.9014000     0.8750000     ?             ?      
1 1 1 46 16 6  o 0.8857000E-01  0.9681000     ?             ?      
1 1 1 46 16 7  o 0.3191000      1.115000      ?             ?      
1 1 1 46 16 8  o -0.7115000     0.9457000     ?             ?      
1 1 1 46 16 9  o 0.8647000      0.9564000     ?             ?      
1 1 1 46 16 10 o -2.265000      1.039000      ?             ?      
1 1 1 46 16 11 o -1.346000      1.010000      ?             ?      
1 1 1 46 16 12 o -0.7772000     1.048000      ?             ?      
1 1 1 46 16 13 o -0.3875000     1.006000      ?             ?      
1 1 1 46 16 14 o -0.5926000     0.9951000     ?             ?      
1 1 1 46 16 15 o 0.5289000      1.000000      ?             ?      
1 1 1 46 16 16 o 0.4610000E-01  1.020000      ?             ?      
1 1 1 46 16 17 o 1.005000       1.028000      ?             ?      
1 1 1 46 16 18 o -0.6836000     1.047000      ?             ?      
1 1 1 46 16 19 o -0.6237000     1.033000      ?             ?      
1 1 1 46 16 20 o 0.1013000      1.034000      ?             ?      
1 1 1 46 16 21 o 0.1406000      1.021000      ?             ?      
1 1 1 46 16 22 o 1.326000       1.024000      ?             ?      
1 1 1 46 16 23 o 0.7150000E-01  1.002000      ?             ?      
1 1 1 46 16 24 o -0.6074000     1.012000      ?             ?      
1 1 1 46 16 25 o -0.1811000     1.015000      ?             ?      
1 1 1 46 16 26 o -0.2282000     1.020000      ?             ?      
1 1 1 46 16 27 o 1.471000       1.025000      ?             ?      
1 1 1 46 16 28 o 0.1593000      1.014000      ?             ?      
1 1 1 46 16 29 o 0.2450000      1.048000      ?             ?      
1 1 1 46 16 30 o -0.6908000     0.9528000     ?             ?      
1 1 1 46 16 31 o 1.176000       1.082000      ?             ?      
1 1 1 46 16 32 o -0.7843000     1.134000      ?             ?      
1 1 1 46 16 33 o -0.3054000     1.246000      ?             ?      
1 1 1 46 16 34 o 1.607000       1.028000      ?             ?      
1 1 1 46 16 35 o 1.051000       1.010000      ?             ?      
1 1 1 46 16 36 o -0.6998000     0.9451000     ?             ?      
1 1 1 46 16 37 o -0.7855000     0.9456000     ?             ?      
1 1 1 46 16 38 o -0.9635000E-01 0.9545000     ?             ?      
1 1 1 46 16 39 o -0.6860000     1.023000      ?             ?      
1 1 1 46 17 0  o -0.4416000     1.212000      ?             ?      
1 1 1 46 17 1  o -0.8241000     0.8635000     ?             ?      
1 1 1 46 17 2  o -0.2794000     0.8635000     ?             ?      
1 1 1 46 17 3  o 0.9564000      0.8650000     ?             ?      
1 1 1 46 17 4  o -0.2758000     0.8541000     ?             ?      
1 1 1 46 17 5  o -0.2086000     0.9038000     ?             ?      
1 1 1 46 17 6  o 0.3882000      0.9653000     ?             ?      
1 1 1 46 17 7  o -0.2692000     0.9632000     ?             ?      
1 1 1 46 17 8  o 0.5052000      1.014000      ?             ?      
1 1 1 46 17 9  o -0.1369000     1.063000      ?             ?      
1 1 1 46 17 10 o 0.5863000      1.170000      ?             ?      
1 1 1 46 17 11 o -0.3335000     1.056000      ?             ?      
1 1 1 46 17 12 o -1.301000      0.9325000     ?             ?      
1 1 1 46 17 13 o 1.576000       1.025000      ?             ?      
1 1 1 46 17 14 o 0.3304000      1.037000      ?             ?      
1 1 1 46 17 15 o -1.370000      1.005000      ?             ?      
1 1 1 46 17 16 o 0.4199000      1.009000      ?             ?      
1 1 1 46 17 17 o 2.085000       1.038000      ?             ?      
1 1 1 46 17 18 o 1.799000       1.029000      ?             ?      
1 1 1 46 17 19 o -1.872000      1.023000      ?             ?      
1 1 1 46 17 20 o 0.3186000      1.037000      ?             ?      
1 1 1 46 17 21 o 0.5335000      1.040000      ?             ?      
1 1 1 46 17 22 o -0.1135000     1.032000      ?             ?      
1 1 1 46 17 23 o 1.257000       1.029000      ?             ?      
1 1 1 46 17 24 o -0.5712000     1.027000      ?             ?      
1 1 1 46 17 25 o 0.9439000      1.031000      ?             ?      
1 1 1 46 17 26 o 1.248000       1.028000      ?             ?      
1 1 1 46 17 27 o 1.841000       1.026000      ?             ?      
1 1 1 46 17 28 o -1.312000      1.021000      ?             ?      
1 1 1 46 17 29 o -1.425000      1.013000      ?             ?      
1 1 1 46 17 30 o 0.3009000      1.130000      ?             ?      
1 1 1 46 17 31 o 0.5809000      1.156000      ?             ?      
1 1 1 46 17 32 o -0.7240000     1.144000      ?             ?      
1 1 1 46 17 33 o 0.8285000      1.249000      ?             ?      
1 1 1 46 17 34 o 1.418000       1.035000      ?             ?      
1 1 1 46 17 35 o 0.4379000      1.010000      ?             ?      
1 1 1 46 17 36 o -0.2978000     0.9566000     ?             ?      
1 1 1 46 17 37 o 0.1558000      0.9677000     ?             ?      
1 1 1 46 17 38 o -0.4733000     1.001000      ?             ?      
1 1 1 46 17 39 o 2.902000       2.199000      ?             ?      
1 1 1 46 18 0  o -1.777000      1.211000      ?             ?      
1 1 1 46 18 1  o -0.2134000E-01 0.8708000     ?             ?      
1 1 1 46 18 2  o 0.6256000      0.9068000     ?             ?      
1 1 1 46 18 3  o 1.097000       0.9101000     ?             ?      
1 1 1 46 18 4  o -0.8207000     0.9842000     ?             ?      
1 1 1 46 18 5  o -0.8607000     0.9444000     ?             ?      
1 1 1 46 18 6  o -0.7202000     0.8810000     ?             ?      
1 1 1 46 18 7  o 0.1215000      0.9185000     ?             ?      
1 1 1 46 18 8  o -1.078000      0.8920000     ?             ?      
1 1 1 46 18 9  o 0.5649000      0.9327000     ?             ?      
1 1 1 46 18 10 o -0.7547000     0.9621000     ?             ?      
1 1 1 46 18 11 o 1.575000       0.9592000     ?             ?      
1 1 1 46 18 12 o 0.9910000      1.067000      ?             ?      
1 1 1 46 18 13 o 1.443000       1.161000      ?             ?      
1 1 1 46 18 14 o 0.5594000      1.025000      ?             ?      
1 1 1 46 18 15 o 0.1029000      1.024000      ?             ?      
1 1 1 46 18 16 o 0.5680000E-01  1.040000      ?             ?      
1 1 1 46 18 17 o 0.3450000      1.074000      ?             ?      
1 1 1 46 18 18 o -0.6945000     1.022000      ?             ?      
1 1 1 46 18 19 o -1.933000      1.023000      ?             ?      
1 1 1 46 18 20 o 0.4554000      1.044000      ?             ?      
1 1 1 46 18 21 o 0.8715000      1.035000      ?             ?      
1 1 1 46 18 22 o -0.3987000     1.037000      ?             ?      
1 1 1 46 18 23 o -0.2597000     1.037000      ?             ?      
1 1 1 46 18 24 o 1.643000       1.056000      ?             ?      
1 1 1 46 18 25 o -0.5549000     1.036000      ?             ?      
1 1 1 46 18 26 o 0.2204000E-01  1.044000      ?             ?      
1 1 1 46 18 27 o 1.198000       1.036000      ?             ?      
1 1 1 46 18 28 o -0.5215000     1.024000      ?             ?      
1 1 1 46 18 29 o -2.224000      1.114000      ?             ?      
1 1 1 46 18 30 o 0.5284000      1.230000      ?             ?      
1 1 1 46 18 31 o -3.222000      1.356000      ?             ?      
1 1 1 46 18 32 o 0.1755000      1.227000      ?             ?      
1 1 1 46 18 33 o -0.3547000     1.052000      ?             ?      
1 1 1 46 18 34 o 1.010000       1.038000      ?             ?      
1 1 1 46 18 35 o 0.6368000E-01  0.9753000     ?             ?      
1 1 1 46 18 36 o -0.6945000     0.9696000     ?             ?      
1 1 1 46 18 37 o -0.6566000     0.9767000     ?             ?      
1 1 1 46 18 38 o -0.4979000     1.199000      ?             ?      
1 1 1 46 19 0  f 0.3074000      1.312000      ?             ?      
1 1 1 46 19 1  o -0.8179000     0.9914000     ?             ?      
1 1 1 46 19 2  o -0.6941000     0.9674000     ?             ?      
1 1 1 46 19 3  o 0.2728000      0.8776000     ?             ?      
1 1 1 46 19 4  o 0.6482000      0.8710000     ?             ?      
1 1 1 46 19 5  o 0.5388000      0.8554000     ?             ?      
1 1 1 46 19 6  o -0.8407000     0.8731000     ?             ?      
1 1 1 46 19 7  o -1.254000      0.8986000     ?             ?      
1 1 1 46 19 8  o -0.6455000     0.8916000     ?             ?      
1 1 1 46 19 9  o -0.6073000     0.9903000     ?             ?      
1 1 1 46 19 10 o -0.4074000     0.9572000     ?             ?      
1 1 1 46 19 11 o 1.827000       0.9524000     ?             ?      
1 1 1 46 19 12 o -0.3081000E-01 0.9631000     ?             ?      
1 1 1 46 19 13 o -0.3113000     0.9695000     ?             ?      
1 1 1 46 19 14 o -0.5069000     1.029000      ?             ?      
1 1 1 46 19 15 o 0.1816000      1.183000      ?             ?      
1 1 1 46 19 16 o -0.4023000     1.167000      ?             ?      
1 1 1 46 19 17 o 0.8170000      1.041000      ?             ?      
1 1 1 46 19 18 o -0.9384000     1.060000      ?             ?      
1 1 1 46 19 19 o 0.6138000      1.075000      ?             ?      
1 1 1 46 19 20 o 0.6730000      1.044000      ?             ?      
1 1 1 46 19 21 o -0.4788000E-02 1.049000      ?             ?      
1 1 1 46 19 22 o 0.1834000      1.048000      ?             ?      
1 1 1 46 19 23 o 1.496000       1.066000      ?             ?      
1 1 1 46 19 24 o 0.1405000E-02  1.058000      ?             ?      
1 1 1 46 19 25 o -0.1649000     1.057000      ?             ?      
1 1 1 46 19 26 o 1.269000       1.051000      ?             ?      
1 1 1 46 19 27 o -0.7521000     1.039000      ?             ?      
1 1 1 46 19 28 o -0.4880000     1.045000      ?             ?      
1 1 1 46 19 29 o -0.5477000     1.128000      ?             ?      
1 1 1 46 19 30 o 0.8132000      1.282000      ?             ?      
1 1 1 46 19 31 o 1.582000       1.312000      ?             ?      
1 1 1 46 19 32 o 0.8330000      1.383000      ?             ?      
1 1 1 46 19 33 o 0.6240000      1.057000      ?             ?      
1 1 1 46 19 34 o 0.6627000      1.015000      ?             ?      
1 1 1 46 19 35 o 1.100000       0.9628000     ?             ?      
1 1 1 46 19 36 o 0.4386000      0.9829000     ?             ?      
1 1 1 46 19 37 o -0.4584000     1.046000      ?             ?      
1 1 1 46 19 38 o -2.498000      2.818000      ?             ?      
1 1 1 46 20 0  o 0.8546000      1.239000      ?             ?      
1 1 1 46 20 1  o 0.5490000      0.9668000     ?             ?      
1 1 1 46 20 2  o 0.1529000      0.8772000     ?             ?      
1 1 1 46 20 3  o 0.7384000      0.9188000     ?             ?      
1 1 1 46 20 4  o 1.308000       0.9191000     ?             ?      
1 1 1 46 20 5  o 0.4536000      0.8576000     ?             ?      
1 1 1 46 20 6  o 0.1826000      0.8731000     ?             ?      
1 1 1 46 20 7  f -0.1720000     0.9043000     ?             ?      
1 1 1 46 20 8  o 0.4135000      0.9058000     ?             ?      
1 1 1 46 20 9  o 1.650000       0.9946000     ?             ?      
1 1 1 46 20 10 o -0.3579000     0.9398000     ?             ?      
1 1 1 46 20 11 o 1.562000       0.9605000     ?             ?      
1 1 1 46 20 12 o 0.8839000      0.9750000     ?             ?      
1 1 1 46 20 13 o 0.7959000      0.9744000     ?             ?      
1 1 1 46 20 14 o 0.5159000      1.041000      ?             ?      
1 1 1 46 20 15 o 0.5865000      1.036000      ?             ?      
1 1 1 46 20 16 o 0.2778000      1.036000      ?             ?      
1 1 1 46 20 17 o 0.1800000      1.034000      ?             ?      
1 1 1 46 20 18 o 0.2966000      1.197000      ?             ?      
1 1 1 46 20 19 o -0.7120000     1.211000      ?             ?      
1 1 1 46 20 20 o -1.191000      1.052000      ?             ?      
1 1 1 46 20 21 o 0.4119000      1.088000      ?             ?      
1 1 1 46 20 22 o -0.3706000     1.104000      ?             ?      
1 1 1 46 20 23 o -1.108000      1.078000      ?             ?      
1 1 1 46 20 24 o 1.301000       1.082000      ?             ?      
1 1 1 46 20 25 o 0.2450000      1.074000      ?             ?      
1 1 1 46 20 26 o 0.3100000      1.059000      ?             ?      
1 1 1 46 20 27 o 1.266000       1.072000      ?             ?      
1 1 1 46 20 28 o 2.551000       1.156000      ?             ?      
1 1 1 46 20 29 o 0.6546000      1.272000      ?             ?      
1 1 1 46 20 30 o 0.4861000      1.307000      ?             ?      
1 1 1 46 20 31 o -0.1647000E-01 1.225000      ?             ?      
1 1 1 46 20 32 o -0.6674000     1.264000      ?             ?      
1 1 1 46 20 33 o -0.1665000     1.198000      ?             ?      
1 1 1 46 20 34 o -0.1810000     1.036000      ?             ?      
1 1 1 46 20 35 o -0.7642000     0.9719000     ?             ?      
1 1 1 46 20 36 o 1.687000       1.014000      ?             ?      
1 1 1 46 20 37 o -0.4278000     2.289000      ?             ?      
1 1 1 46 21 0  o 1.064000       1.238000      ?             ?      
1 1 1 46 21 1  o 0.5401000      0.8489000     ?             ?      
1 1 1 46 21 2  o 0.8743000      0.8630000     ?             ?      
1 1 1 46 21 3  o -0.3509000     0.9696000     ?             ?      
1 1 1 46 21 4  o -0.5007000     0.9637000     ?             ?      
1 1 1 46 21 5  o 0.7981000      0.9135000     ?             ?      
1 1 1 46 21 6  o 1.020000       0.8889000     ?             ?      
1 1 1 46 21 7  o -0.9429000E-02 0.9066000     ?             ?      
1 1 1 46 21 8  o 0.7474000      0.9158000     ?             ?      
1 1 1 46 21 9  o -0.2311000     0.9623000     ?             ?      
1 1 1 46 21 10 o -0.5331000     0.9589000     ?             ?      
1 1 1 46 21 11 o -0.2842000     0.9613000     ?             ?      
1 1 1 46 21 12 o -0.2628000     0.9828000     ?             ?      
1 1 1 46 21 13 o -1.066000      0.9722000     ?             ?      
1 1 1 46 21 14 o -0.9418000E-01 1.036000      ?             ?      
1 1 1 46 21 15 o -1.027000      1.032000      ?             ?      
1 1 1 46 21 16 o -1.745000      1.020000      ?             ?      
1 1 1 46 21 17 o -0.3106000E-01 1.038000      ?             ?      
1 1 1 46 21 18 o -0.6660000     1.041000      ?             ?      
1 1 1 46 21 19 o 1.719000       1.050000      ?             ?      
1 1 1 46 21 20 o -0.3251000     1.064000      ?             ?      
1 1 1 46 21 21 o 0.5573000      1.232000      ?             ?      
1 1 1 46 21 22 o 0.1641000      1.236000      ?             ?      
1 1 1 46 21 23 o -0.6095000     1.093000      ?             ?      
1 1 1 46 21 24 o -0.5044000     1.138000      ?             ?      
1 1 1 46 21 25 o 0.1938000      1.129000      ?             ?      
1 1 1 46 21 26 o -0.4344000     1.083000      ?             ?      
1 1 1 46 21 27 o -0.4115000     1.158000      ?             ?      
1 1 1 46 21 28 o -3.022000      1.289000      ?             ?      
1 1 1 46 21 29 o -0.2004000     1.330000      ?             ?      
1 1 1 46 21 30 o -0.2434000     1.230000      ?             ?      
1 1 1 46 21 31 o -0.4088000     1.153000      ?             ?      
1 1 1 46 21 32 o -0.7986000     1.186000      ?             ?      
1 1 1 46 21 33 o 1.831000       1.194000      ?             ?      
1 1 1 46 21 34 o -1.160000      1.100000      ?             ?      
1 1 1 46 21 35 o 0.6984000      1.029000      ?             ?      
1 1 1 46 21 36 o 0.2118000      1.190000      ?             ?      
1 1 1 46 22 0  o -0.2297000     1.207000      ?             ?      
1 1 1 46 22 1  o -0.3776000     0.8613000     ?             ?      
1 1 1 46 22 2  o 0.9403000      0.8635000     ?             ?      
1 1 1 46 22 3  o 0.3022000      0.8799000     ?             ?      
1 1 1 46 22 4  o 1.070000       0.8926000     ?             ?      
1 1 1 46 22 5  o 0.3230000      0.8921000     ?             ?      
1 1 1 46 22 6  o 0.5594000E-01  0.8863000     ?             ?      
1 1 1 46 22 7  o 0.4844000      0.9642000     ?             ?      
1 1 1 46 22 8  o -0.7893000     1.240000      ?             ?      
1 1 1 46 22 9  o -0.8936000     1.028000      ?             ?      
1 1 1 46 22 10 o 0.2976000      0.9683000     ?             ?      
1 1 1 46 22 11 o 0.3139000      0.9791000     ?             ?      
1 1 1 46 22 12 o -0.1317000     0.9753000     ?             ?      
1 1 1 46 22 13 o 0.2044000      0.9714000     ?             ?      
1 1 1 46 22 14 o 0.7134000      1.063000      ?             ?      
1 1 1 46 22 15 o -0.4090000     1.048000      ?             ?      
1 1 1 46 22 16 o -1.388000      1.031000      ?             ?      
1 1 1 46 22 17 o 0.7251000      1.042000      ?             ?      
1 1 1 46 22 18 o -0.6267000     1.153000      ?             ?      
1 1 1 46 22 19 o 1.317000       1.063000      ?             ?      
1 1 1 46 22 20 o 1.316000       1.076000      ?             ?      
1 1 1 46 22 21 o 2.245000       1.096000      ?             ?      
1 1 1 46 22 22 o -0.7418000     1.118000      ?             ?      
1 1 1 46 22 23 o -1.665000      1.119000      ?             ?      
1 1 1 46 22 24 o -1.318000      1.274000      ?             ?      
1 1 1 46 22 25 o -2.320000      1.246000      ?             ?      
1 1 1 46 22 26 o -0.2764000     1.114000      ?             ?      
1 1 1 46 22 27 o 2.937000       2.179000      ?             ?      
1 1 1 46 22 28 o -1.738000      1.369000      ?             ?      
1 1 1 46 22 29 o 1.122000       1.405000      ?             ?      
1 1 1 46 22 30 o -1.180000      1.181000      ?             ?      
1 1 1 46 22 31 o 0.3299000      1.275000      ?             ?      
1 1 1 46 22 32 o 1.446000       1.189000      ?             ?      
1 1 1 46 22 33 o -0.1795000     1.190000      ?             ?      
1 1 1 46 22 34 o -0.1927000     1.085000      ?             ?      
1 1 1 46 22 35 o 0.7203000E-01  1.553000      ?             ?      
1 1 1 46 23 0  o -0.5992000     1.224000      ?             ?      
1 1 1 46 23 1  o 0.3955000      0.8667000     ?             ?      
1 1 1 46 23 2  o 1.953000       0.8814000     ?             ?      
1 1 1 46 23 3  o -0.1169000E-01 0.8782000     ?             ?      
1 1 1 46 23 4  o 0.6557000      0.8850000     ?             ?      
1 1 1 46 23 5  o 0.6154000      0.9510000     ?             ?      
1 1 1 46 23 6  o -0.1526000     0.8730000     ?             ?      
1 1 1 46 23 7  o 0.7767000      0.9165000     ?             ?      
1 1 1 46 23 8  o 0.2024000      1.006000      ?             ?      
1 1 1 46 23 9  o 0.4169000      1.103000      ?             ?      
1 1 1 46 23 10 o 0.5655000      1.115000      ?             ?      
1 1 1 46 23 11 o -0.7620000     1.057000      ?             ?      
1 1 1 46 23 12 o -1.375000      1.062000      ?             ?      
1 1 1 46 23 13 o -0.2829000     0.9978000     ?             ?      
1 1 1 46 23 14 o -0.2964000     0.9911000     ?             ?      
1 1 1 46 23 15 o 0.3670000      1.054000      ?             ?      
1 1 1 46 23 16 o 1.279000       1.065000      ?             ?      
1 1 1 46 23 17 o 0.6838000      1.038000      ?             ?      
1 1 1 46 23 18 o -0.6097000     1.051000      ?             ?      
1 1 1 46 23 19 o -0.5753000     1.064000      ?             ?      
1 1 1 46 23 20 o -0.2810000     1.085000      ?             ?      
1 1 1 46 23 21 o -0.3987000     1.107000      ?             ?      
1 1 1 46 23 22 o 0.5543000      1.113000      ?             ?      
1 1 1 46 23 23 o 1.117000       1.110000      ?             ?      
1 1 1 46 23 24 o 0.8255000      1.094000      ?             ?      
1 1 1 46 23 25 o -0.6762000     1.102000      ?             ?      
1 1 1 46 23 26 o -0.3692000     1.237000      ?             ?      
1 1 1 46 23 27 o 0.5279000      1.881000      ?             ?      
1 1 1 46 23 28 o 0.6966000      1.856000      ?             ?      
1 1 1 46 23 29 o -1.129000      1.296000      ?             ?      
1 1 1 46 23 30 o 0.2453000      1.178000      ?             ?      
1 1 1 46 23 31 o 0.3658000      1.264000      ?             ?      
1 1 1 46 23 32 o -1.510000      1.213000      ?             ?      
1 1 1 46 23 33 o 0.4181000      1.095000      ?             ?      
1 1 1 46 23 34 o 0.4086000      1.546000      ?             ?      
1 1 1 46 23 35 < 0.000000       -1.000000     ?             ?      
1 1 1 46 24 0  o 0.1617000      1.225000      ?             ?      
1 1 1 46 24 1  o 1.598000       0.8769000     ?             ?      
1 1 1 46 24 2  o 0.6477000      0.8765000     ?             ?      
1 1 1 46 24 3  o 0.2605000      0.8753000     ?             ?      
1 1 1 46 24 4  o 1.531000       0.8806000     ?             ?      
1 1 1 46 24 5  o 0.2356000      0.8788000     ?             ?      
1 1 1 46 24 6  o -0.7135000E-01 0.8739000     ?             ?      
1 1 1 46 24 7  o 1.180000       0.9349000     ?             ?      
1 1 1 46 24 8  o -0.5987000     0.9711000     ?             ?      
1 1 1 46 24 9  o 0.3991000      0.9690000     ?             ?      
1 1 1 46 24 10 o -0.3468000     1.024000      ?             ?      
1 1 1 46 24 11 o -0.5178000     1.043000      ?             ?      
1 1 1 46 24 12 o 2.424000       1.137000      ?             ?      
1 1 1 46 24 13 o 0.6699000      1.119000      ?             ?      
1 1 1 46 24 14 o -0.3759000     1.069000      ?             ?      
1 1 1 46 24 15 o 0.7117000      1.173000      ?             ?      
1 1 1 46 24 16 o -0.3063000     1.076000      ?             ?      
1 1 1 46 24 17 o 0.6146000      1.084000      ?             ?      
1 1 1 46 24 18 o 1.732000       1.071000      ?             ?      
1 1 1 46 24 19 o -0.3840000     1.083000      ?             ?      
1 1 1 46 24 20 o -0.1878000     1.083000      ?             ?      
1 1 1 46 24 21 o -1.663000      1.093000      ?             ?      
1 1 1 46 24 22 o -0.3387000     1.090000      ?             ?      
1 1 1 46 24 23 o -1.458000      1.092000      ?             ?      
1 1 1 46 24 24 o -0.1631000     1.105000      ?             ?      
1 1 1 46 24 25 o 0.8511000      1.237000      ?             ?      
1 1 1 46 24 26 o -0.6790000     1.404000      ?             ?      
1 1 1 46 24 27 o -0.1558000     1.016000      ?             ?      
1 1 1 46 24 28 o -0.8245000     1.346000      ?             ?      
1 1 1 46 24 29 o -1.393000      1.212000      ?             ?      
1 1 1 46 24 30 o 0.2795000      1.337000      ?             ?      
1 1 1 46 24 31 o -0.6180000     1.238000      ?             ?      
1 1 1 46 24 32 o 0.1585000E-01  1.243000      ?             ?      
1 1 1 46 24 33 o -3.476000      2.789000      ?             ?      
1 1 1 46 24 34 < 0.000000       -1.000000     ?             ?      
1 1 1 46 25 0  o 0.3701000      1.218000      ?             ?      
1 1 1 46 25 1  o 0.3157000E-01  0.8652000     ?             ?      
1 1 1 46 25 2  o -0.8129000     0.8715000     ?             ?      
1 1 1 46 25 3  o -2.259000      0.8802000     ?             ?      
1 1 1 46 25 4  o -0.7128000     0.8758000     ?             ?      
1 1 1 46 25 5  o 0.9504000      0.8708000     ?             ?      
1 1 1 46 25 6  o -0.8247000E-01 0.8671000     ?             ?      
1 1 1 46 25 7  o 1.047000       1.021000      ?             ?      
1 1 1 46 25 8  o 0.7335000      1.026000      ?             ?      
1 1 1 46 25 9  o 1.447000       0.9853000     ?             ?      
1 1 1 46 25 10 o 1.355000       0.9943000     ?             ?      
1 1 1 46 25 11 o -0.3593000     0.9901000     ?             ?      
1 1 1 46 25 12 o 0.7213000      1.011000      ?             ?      
1 1 1 46 25 13 o -1.116000      1.027000      ?             ?      
1 1 1 46 25 14 o 2.303000       1.041000      ?             ?      
1 1 1 46 25 15 o -0.4550000     1.210000      ?             ?      
1 1 1 46 25 16 o -0.6167000     1.229000      ?             ?      
1 1 1 46 25 17 o -2.574000      1.207000      ?             ?      
1 1 1 46 25 18 o 0.2893000      1.210000      ?             ?      
1 1 1 46 25 19 o -2.143000      1.082000      ?             ?      
1 1 1 46 25 20 o 1.300000       1.082000      ?             ?      
1 1 1 46 25 21 o -0.8462000     1.087000      ?             ?      
1 1 1 46 25 22 o 0.5518000      1.101000      ?             ?      
1 1 1 46 25 23 o 0.1142000      1.108000      ?             ?      
1 1 1 46 25 24 o -1.798000      1.228000      ?             ?      
1 1 1 46 25 25 o 1.330000       1.415000      ?             ?      
1 1 1 46 25 26 o 0.3562000      1.426000      ?             ?      
1 1 1 46 25 27 o -1.808000      1.515000      ?             ?      
1 1 1 46 25 28 o -0.9278000     1.230000      ?             ?      
1 1 1 46 25 29 o -1.555000      2.012000      ?             ?      
1 1 1 46 25 30 o -1.088000      1.285000      ?             ?      
1 1 1 46 25 31 o -0.8494000     1.266000      ?             ?      
1 1 1 46 25 32 o 2.075000       2.952000      ?             ?      
1 1 1 46 25 33 < 0.000000       -1.000000     ?             ?      
1 1 1 46 26 0  o 0.1071000      1.213000      ?             ?      
1 1 1 46 26 1  o 0.8657000E-01  0.8600000     ?             ?      
1 1 1 46 26 2  o 0.6602000E-01  0.8657000     ?             ?      
1 1 1 46 26 3  o 0.2572000E-01  0.8734000     ?             ?      
1 1 1 46 26 4  o 0.2288000      0.9643000     ?             ?      
1 1 1 46 26 5  o 0.9522000E-01  0.8770000     ?             ?      
1 1 1 46 26 6  o -0.5016000     0.8712000     ?             ?      
1 1 1 46 26 7  o 0.2067000      1.020000      ?             ?      
1 1 1 46 26 8  o 0.5901000      1.016000      ?             ?      
1 1 1 46 26 9  f -0.2574000     1.016000      ?             ?      
1 1 1 46 26 10 f 0.4782000      0.9732000     ?             ?      
1 1 1 46 26 11 o 1.661000       1.003000      ?             ?      
1 1 1 46 26 12 o -0.1705000     0.9925000     ?             ?      
1 1 1 46 26 13 o -1.014000      0.9904000     ?             ?      
1 1 1 46 26 14 o -0.5516000E-01 1.005000      ?             ?      
1 1 1 46 26 15 o -0.3804000     1.066000      ?             ?      
1 1 1 46 26 16 o -1.415000      1.110000      ?             ?      
1 1 1 46 26 17 o -3.058000      1.128000      ?             ?      
1 1 1 46 26 18 o 1.023000       1.255000      ?             ?      
1 1 1 46 26 19 o -1.484000      1.276000      ?             ?      
1 1 1 46 26 20 o -0.2261000     1.244000      ?             ?      
1 1 1 46 26 21 o 1.640000       1.230000      ?             ?      
1 1 1 46 26 22 o 0.8041000      1.112000      ?             ?      
1 1 1 46 26 23 o -0.2867000     1.131000      ?             ?      
1 1 1 46 26 24 o 0.8360000E-01  1.265000      ?             ?      
1 1 1 46 26 25 o 1.925000       1.492000      ?             ?      
1 1 1 46 26 26 o -0.9742000     1.430000      ?             ?      
1 1 1 46 26 27 o -2.305000      2.131000      ?             ?      
1 1 1 46 26 28 o 1.545000       1.216000      ?             ?      
1 1 1 46 26 29 o 2.435000       2.378000      ?             ?      
1 1 1 46 26 30 o -1.936000      1.306000      ?             ?      
1 1 1 46 26 31 o 1.262000       2.177000      ?             ?      
1 1 1 46 26 32 < 0.000000       -1.000000     ?             ?      
1 1 1 46 27 0  o -0.8595000E-01 1.223000      ?             ?      
1 1 1 46 27 1  o -0.9787000     0.8650000     ?             ?      
1 1 1 46 27 2  o 0.2296000      0.8763000     ?             ?      
1 1 1 46 27 3  o -0.5682000     0.8779000     ?             ?      
1 1 1 46 27 4  o 0.2102000      0.9594000     ?             ?      
1 1 1 46 27 5  o -0.2737000     0.9182000     ?             ?      
1 1 1 46 27 6  o -0.7050000     0.8783000     ?             ?      
1 1 1 46 27 7  o -1.442000      1.009000      ?             ?      
1 1 1 46 27 8  o 0.4097000      1.007000      ?             ?      
1 1 1 46 27 9  o 1.210000       1.030000      ?             ?      
1 1 1 46 27 10 o 0.7043000      1.051000      ?             ?      
1 1 1 46 27 11 o 1.416000       0.9941000     ?             ?      
1 1 1 46 27 12 o -0.9819000E-02 0.9914000     ?             ?      
1 1 1 46 27 13 o -0.1588000     0.9954000     ?             ?      
1 1 1 46 27 14 o -0.8651000     1.014000      ?             ?      
1 1 1 46 27 15 o -0.5766000E-01 1.088000      ?             ?      
1 1 1 46 27 16 o -0.8714000E-01 1.085000      ?             ?      
1 1 1 46 27 17 o -1.516000      1.091000      ?             ?      
1 1 1 46 27 18 o -1.275000      1.096000      ?             ?      
1 1 1 46 27 19 o -0.7832000     1.130000      ?             ?      
1 1 1 46 27 20 o 0.5783000      1.171000      ?             ?      
1 1 1 46 27 21 o 0.9417000      1.261000      ?             ?      
1 1 1 46 27 22 o 1.413000       1.490000      ?             ?      
1 1 1 46 27 23 o -0.3957000     1.284000      ?             ?      
1 1 1 46 27 24 o -0.7518000     1.481000      ?             ?      
1 1 1 46 27 25 o -0.8272000E-02 1.473000      ?             ?      
1 1 1 46 27 26 o 0.2098000      1.307000      ?             ?      
1 1 1 46 27 27 o 1.057000       1.221000      ?             ?      
1 1 1 46 27 28 o -0.7342000     1.219000      ?             ?      
1 1 1 46 27 29 o 1.278000       2.906000      ?             ?      
1 1 1 46 27 30 o -0.8207000     1.048000      ?             ?      
1 1 1 46 27 31 < 0.000000       -1.000000     ?             ?      
1 1 1 46 28 0  o -0.3308000     1.250000      ?             ?      
1 1 1 46 28 1  o -1.096000      0.8770000     ?             ?      
1 1 1 46 28 2  o -0.3814000E-01 0.8839000     ?             ?      
1 1 1 46 28 3  o -0.2505000     0.8804000     ?             ?      
1 1 1 46 28 4  o -0.1155000     0.8944000     ?             ?      
1 1 1 46 28 5  o 1.010000       0.8889000     ?             ?      
1 1 1 46 28 6  o -0.4811000     0.9386000     ?             ?      
1 1 1 46 28 7  o 0.9784000      0.9952000     ?             ?      
1 1 1 46 28 8  o -1.933000      1.010000      ?             ?      
1 1 1 46 28 9  o -0.8803000E-01 1.037000      ?             ?      
1 1 1 46 28 10 o -0.9135000     1.019000      ?             ?      
1 1 1 46 28 11 o 0.2284000      1.033000      ?             ?      
1 1 1 46 28 12 o 1.919000       0.9954000     ?             ?      
1 1 1 46 28 13 o 0.7713000E-02  1.003000      ?             ?      
1 1 1 46 28 14 o 0.6547000      1.016000      ?             ?      
1 1 1 46 28 15 o 1.110000       1.105000      ?             ?      
1 1 1 46 28 16 o -0.8797000     1.102000      ?             ?      
1 1 1 46 28 17 o -0.8354000     1.098000      ?             ?      
1 1 1 46 28 18 o 0.7820000      1.116000      ?             ?      
1 1 1 46 28 19 o 0.4710000      1.113000      ?             ?      
1 1 1 46 28 20 o 0.4121000      1.137000      ?             ?      
1 1 1 46 28 21 o -1.411000      1.152000      ?             ?      
1 1 1 46 28 22 o 0.8150000E-01  1.285000      ?             ?      
1 1 1 46 28 23 o 1.356000       1.510000      ?             ?      
1 1 1 46 28 24 o -1.370000      1.506000      ?             ?      
1 1 1 46 28 25 o -0.9531000     1.552000      ?             ?      
1 1 1 46 28 26 o -1.043000      1.371000      ?             ?      
1 1 1 46 28 27 o -0.2885000     1.239000      ?             ?      
1 1 1 46 28 28 o -1.904000      1.563000      ?             ?      
1 1 1 46 28 29 o -1.202000      2.199000      ?             ?      
1 1 1 46 29 0  o -0.8399000     1.253000      ?             ?      
1 1 1 46 29 1  o 0.1184000      0.8896000     ?             ?      
1 1 1 46 29 2  o 0.5581000      0.8939000     ?             ?      
1 1 1 46 29 3  f -0.3086000     0.8934000     ?             ?      
1 1 1 46 29 4  o -0.2793000     0.8892000     ?             ?      
1 1 1 46 29 5  o 0.5995000      0.8915000     ?             ?      
1 1 1 46 29 6  o 1.334000       1.022000      ?             ?      
1 1 1 46 29 7  o -0.2088000     1.017000      ?             ?      
1 1 1 46 29 8  o -0.1573000     1.030000      ?             ?      
1 1 1 46 29 9  o -0.6737000     1.031000      ?             ?      
1 1 1 46 29 10 o 0.4837000      1.055000      ?             ?      
1 1 1 46 29 11 o 0.2521000      1.046000      ?             ?      
1 1 1 46 29 12 o -0.5434000     1.056000      ?             ?      
1 1 1 46 29 13 o -0.9800000E-01 1.002000      ?             ?      
1 1 1 46 29 14 o 0.6127000      1.012000      ?             ?      
1 1 1 46 29 15 o 0.9850000      1.097000      ?             ?      
1 1 1 46 29 16 o -1.207000      1.109000      ?             ?      
1 1 1 46 29 17 o -2.436000      1.112000      ?             ?      
1 1 1 46 29 18 o 1.282000       1.126000      ?             ?      
1 1 1 46 29 19 o 1.075000       1.124000      ?             ?      
1 1 1 46 29 20 o -0.7940000     1.127000      ?             ?      
1 1 1 46 29 21 o 0.7951000      1.282000      ?             ?      
1 1 1 46 29 22 o 1.496000       1.533000      ?             ?      
1 1 1 46 29 23 o 0.2037000E-01  1.511000      ?             ?      
1 1 1 46 29 24 o -0.8162000     1.554000      ?             ?      
1 1 1 46 29 25 o 0.2089000E-01  1.201000      ?             ?      
1 1 1 46 29 26 o 2.821000       1.363000      ?             ?      
1 1 1 46 29 27 o 0.2165000      2.904000      ?             ?      
1 1 1 46 29 28 < 0.000000       -1.000000     ?             ?      
1 1 1 46 30 0  o 0.7786000      1.272000      ?             ?      
1 1 1 46 30 1  o 0.1704000      0.9035000     ?             ?      
1 1 1 46 30 2  o -0.9028000     0.8946000     ?             ?      
1 1 1 46 30 3  o 0.1695000      0.9102000     ?             ?      
1 1 1 46 30 4  o -0.5378000     0.8897000     ?             ?      
1 1 1 46 30 5  o -0.3994000     0.8970000     ?             ?      
1 1 1 46 30 6  o 0.9076000E-01  1.032000      ?             ?      
1 1 1 46 30 7  o 0.8338000      1.020000      ?             ?      
1 1 1 46 30 8  o 1.110000       1.030000      ?             ?      
1 1 1 46 30 9  o -1.309000      1.047000      ?             ?      
1 1 1 46 30 10 o 1.016000       1.050000      ?             ?      
1 1 1 46 30 11 o 0.6612000      1.059000      ?             ?      
1 1 1 46 30 12 o 0.1739000      1.071000      ?             ?      
1 1 1 46 30 13 o 0.2748000      1.087000      ?             ?      
1 1 1 46 30 14 o -1.497000      1.030000      ?             ?      
1 1 1 46 30 15 o 1.195000       1.047000      ?             ?      
1 1 1 46 30 16 o 1.586000       1.125000      ?             ?      
1 1 1 46 30 17 o -0.8976000     1.122000      ?             ?      
1 1 1 46 30 18 o -0.3762000     1.142000      ?             ?      
1 1 1 46 30 19 o -0.1129000     1.158000      ?             ?      
1 1 1 46 30 20 o 0.2565000      1.155000      ?             ?      
1 1 1 46 30 21 o -1.179000      1.520000      ?             ?      
1 1 1 46 30 22 o 0.9784000      1.517000      ?             ?      
1 1 1 46 30 23 o -1.062000      1.556000      ?             ?      
1 1 1 46 30 24 o -2.137000      1.213000      ?             ?      
1 1 1 46 30 25 o 1.023000       1.593000      ?             ?      
1 1 1 46 30 26 o -1.970000      1.582000      ?             ?      
1 1 1 46 30 27 < 0.000000       -1.000000     ?             ?      
1 1 1 46 31 0  o -2.692000      1.297000      ?             ?      
1 1 1 46 31 1  o 0.2476000      0.9154000     ?             ?      
1 1 1 46 31 2  o -0.2540000     0.9033000     ?             ?      
1 1 1 46 31 3  o -1.417000      0.9832000     ?             ?      
1 1 1 46 31 4  o 0.1447000      0.8996000     ?             ?      
1 1 1 46 31 5  o -1.544000      0.9000000     ?             ?      
1 1 1 46 31 6  o -0.5507000     1.058000      ?             ?      
1 1 1 46 31 7  o 1.009000       1.020000      ?             ?      
1 1 1 46 31 8  o 0.7819000      1.022000      ?             ?      
1 1 1 46 31 9  o -0.6711000     1.050000      ?             ?      
1 1 1 46 31 10 o -1.093000      1.054000      ?             ?      
1 1 1 46 31 11 o -0.3368000     1.068000      ?             ?      
1 1 1 46 31 12 o 1.325000       1.086000      ?             ?      
1 1 1 46 31 13 o -1.278000      1.108000      ?             ?      
1 1 1 46 31 14 o 0.2436000      1.048000      ?             ?      
1 1 1 46 31 15 o -0.8863000     1.050000      ?             ?      
1 1 1 46 31 16 o 2.049000       1.138000      ?             ?      
1 1 1 46 31 17 o 1.186000       1.135000      ?             ?      
1 1 1 46 31 18 o -0.3687000     1.151000      ?             ?      
1 1 1 46 31 19 o -0.8332000     1.174000      ?             ?      
1 1 1 46 31 20 o 1.088000       1.355000      ?             ?      
1 1 1 46 31 21 o -1.162000      1.559000      ?             ?      
1 1 1 46 31 22 o 1.020000       1.562000      ?             ?      
1 1 1 46 31 23 o 0.8725000      1.659000      ?             ?      
1 1 1 46 31 24 o -0.6967000     1.571000      ?             ?      
1 1 1 46 31 25 o 0.4731000E-01  4.289000      ?             ?      
1 1 1 46 32 0  o 0.2881000      1.306000      ?             ?      
1 1 1 46 32 1  o -1.099000      0.9196000     ?             ?      
1 1 1 46 32 2  o -0.2000000     0.9253000     ?             ?      
1 1 1 46 32 3  o -2.257000      1.571000      ?             ?      
1 1 1 46 32 4  o -0.1317000     0.9077000     ?             ?      
1 1 1 46 32 5  o 0.2130000      0.9235000     ?             ?      
1 1 1 46 32 6  o 1.125000       1.059000      ?             ?      
1 1 1 46 32 7  o -0.7850000     1.008000      ?             ?      
1 1 1 46 32 8  o 0.8754000      1.037000      ?             ?      
1 1 1 46 32 9  o 1.123000       1.062000      ?             ?      
1 1 1 46 32 10 o 1.154000       1.066000      ?             ?      
1 1 1 46 32 11 o -0.1299000     1.074000      ?             ?      
1 1 1 46 32 12 o -1.503000      1.093000      ?             ?      
1 1 1 46 32 13 o -1.253000      1.105000      ?             ?      
1 1 1 46 32 14 o 0.3505000      1.968000      ?             ?      
1 1 1 46 32 15 o 0.9995000E-01  1.069000      ?             ?      
1 1 1 46 32 16 o 0.9907000E-01  1.110000      ?             ?      
1 1 1 46 32 17 o -0.1723000     1.148000      ?             ?      
1 1 1 46 32 18 o -0.4121000     1.160000      ?             ?      
1 1 1 46 32 19 o 0.1724000      1.327000      ?             ?      
1 1 1 46 32 20 o -0.6608000     1.588000      ?             ?      
1 1 1 46 32 21 o 1.553000       1.619000      ?             ?      
1 1 1 46 32 22 o -1.665000      4.434000      ?             ?      
1 1 1 46 32 23 o 0.6826000      1.710000      ?             ?      
1 1 1 46 33 0  o 0.2424000      1.309000      ?             ?      
1 1 1 46 33 1  o 1.228000       0.9293000     ?             ?      
1 1 1 46 33 2  o -1.355000      0.9182000     ?             ?      
1 1 1 46 33 3  o -0.2096000     1.006000      ?             ?      
1 1 1 46 33 4  o 2.206000       0.9453000     ?             ?      
1 1 1 46 33 5  o -0.8150000     0.9879000     ?             ?      
1 1 1 46 33 6  o 1.058000       1.029000      ?             ?      
1 1 1 46 33 7  o -0.8411000     1.019000      ?             ?      
1 1 1 46 33 8  o -0.1350000     1.030000      ?             ?      
1 1 1 46 33 9  o -0.4334000     1.042000      ?             ?      
1 1 1 46 33 10 o -0.4022000     1.078000      ?             ?      
1 1 1 46 33 11 o 0.9829000      1.102000      ?             ?      
1 1 1 46 33 12 o 0.1943000      1.102000      ?             ?      
1 1 1 46 33 13 o -0.1133000E-01 1.948000      ?             ?      
1 1 1 46 33 14 o 0.1017000      1.127000      ?             ?      
1 1 1 46 33 15 o 0.8071000      1.140000      ?             ?      
1 1 1 46 33 16 o 0.2958000      1.157000      ?             ?      
1 1 1 46 33 17 o 0.9400000      1.168000      ?             ?      
1 1 1 46 33 18 o 1.202000       1.304000      ?             ?      
1 1 1 46 33 19 o -0.2301000     2.112000      ?             ?      
1 1 1 46 33 20 o -7.903000      3.965000      ?             ?      
1 1 1 46 33 21 o -0.8185000     2.306000      ?             ?      
1 1 1 46 34 0  o -0.8229000     1.313000      ?             ?      
1 1 1 46 34 1  o -0.8037000     0.9272000     ?             ?      
1 1 1 46 34 2  o 0.1883000      0.9267000     ?             ?      
1 1 1 46 34 3  o 0.9810000      0.9363000     ?             ?      
1 1 1 46 34 4  o 0.3713000      0.9739000     ?             ?      
1 1 1 46 34 5  o 0.9289000E-01  0.9559000     ?             ?      
1 1 1 46 34 6  o 0.3846000      1.045000      ?             ?      
1 1 1 46 34 7  o 0.6069000      1.027000      ?             ?      
1 1 1 46 34 8  o -1.476000      1.045000      ?             ?      
1 1 1 46 34 9  o 0.6041000      1.054000      ?             ?      
1 1 1 46 34 10 o -0.2217000     1.130000      ?             ?      
1 1 1 46 34 11 o -2.641000      1.881000      ?             ?      
1 1 1 46 34 12 o -1.050000      1.107000      ?             ?      
1 1 1 46 34 13 o -0.3434000E-01 1.114000      ?             ?      
1 1 1 46 34 14 o 1.191000       1.134000      ?             ?      
1 1 1 46 34 15 o -0.6787000     1.146000      ?             ?      
1 1 1 46 34 16 o 2.285000       2.302000      ?             ?      
1 1 1 46 34 17 o -2.342000      1.470000      ?             ?      
1 1 1 46 34 18 o -1.616000      3.942000      ?             ?      
1 1 1 46 34 19 < 0.000000       -1.000000     ?             ?      
1 1 1 46 35 0  o 1.099000       1.328000      ?             ?      
1 1 1 46 35 1  o 0.3406000      0.9326000     ?             ?      
1 1 1 46 35 2  o 0.8268000      0.9420000     ?             ?      
1 1 1 46 35 3  o -0.5820000     0.9626000     ?             ?      
1 1 1 46 35 4  o -0.2600000     0.9327000     ?             ?      
1 1 1 46 35 5  o 0.7634000      1.080000      ?             ?      
1 1 1 46 35 6  o -0.8817000     1.050000      ?             ?      
1 1 1 46 35 7  o -0.1603000     1.049000      ?             ?      
1 1 1 46 35 8  o -0.3672000     1.045000      ?             ?      
1 1 1 46 35 9  o -1.070000      1.054000      ?             ?      
1 1 1 46 35 10 o -0.2931000     1.875000      ?             ?      
1 1 1 46 35 11 o -0.8860000     1.100000      ?             ?      
1 1 1 46 35 12 o -1.449000      1.112000      ?             ?      
1 1 1 46 35 13 o -2.159000      1.120000      ?             ?      
1 1 1 46 35 14 o -1.210000      1.242000      ?             ?      
1 1 1 46 35 15 o -0.8994000     1.529000      ?             ?      
1 1 1 46 35 16 o -2.257000      1.578000      ?             ?      
1 1 1 46 35 17 < 0.000000       -1.000000     ?             ?      
1 1 1 46 36 0  o 3.231000       1.350000      ?             ?      
1 1 1 46 36 1  o 0.5293000      0.9485000     ?             ?      
1 1 1 46 36 2  o -0.2026000E-01 1.102000      ?             ?      
1 1 1 46 36 3  o 1.026000       0.9365000     ?             ?      
1 1 1 46 36 4  o 0.7914000      0.9395000     ?             ?      
1 1 1 46 36 5  o 0.1757000      1.088000      ?             ?      
1 1 1 46 36 6  o 0.2562000      1.052000      ?             ?      
1 1 1 46 36 7  o 1.171000       1.058000      ?             ?      
1 1 1 46 36 8  o -1.496000      1.056000      ?             ?      
1 1 1 46 36 9  o 0.9058000      1.165000      ?             ?      
1 1 1 46 36 10 o -0.2997000     1.175000      ?             ?      
1 1 1 46 36 11 o -0.7515000     1.206000      ?             ?      
1 1 1 46 36 12 o -0.6397000E-01 1.504000      ?             ?      
1 1 1 46 36 13 o -1.846000      1.519000      ?             ?      
1 1 1 46 36 14 < 0.000000       -1.000000     ?             ?      
1 1 1 46 37 0  o 0.4417000      1.366000      ?             ?      
1 1 1 46 37 1  o 0.3526000E-02  0.9992000     ?             ?      
1 1 1 46 37 2  o -0.6572000     1.035000      ?             ?      
1 1 1 46 37 3  o 0.6262000      0.9484000     ?             ?      
1 1 1 46 37 4  o 0.3361000E-01  0.9442000     ?             ?      
1 1 1 46 37 5  o -0.8538000E-01 1.161000      ?             ?      
1 1 1 46 37 6  o 0.5363000E-01  1.473000      ?             ?      
1 1 1 46 37 7  o 0.4605000      1.486000      ?             ?      
1 1 1 46 37 8  o 1.013000       1.499000      ?             ?      
1 1 1 46 37 9  o -2.205000      2.172000      ?             ?      
1 1 1 46 37 10 < 0.000000       -1.000000     ?             ?      
1 1 1 46 38 0  o -1.735000      2.393000      ?             ?      
1 1 1 46 38 1  o 1.973000       2.397000      ?             ?      
1 1 1 46 38 2  o -0.8663000     2.330000      ?             ?      
1 1 1 46 38 3  o 0.5659000      2.314000      ?             ?      
1 1 1 47 0  1  o -1.455000      1.137000      ?             ?      
1 1 1 47 0  2  o -1.239000      1.159000      ?             ?      
1 1 1 47 0  3  o 0.3215000E-02  1.154000      ?             ?      
1 1 1 47 0  4  o 0.8052000      1.168000      ?             ?      
1 1 1 47 0  5  o -1.142000      1.166000      ?             ?      
1 1 1 47 0  6  o 1.549000       1.194000      ?             ?      
1 1 1 47 0  7  o 0.3575000      1.230000      ?             ?      
1 1 1 47 0  8  o 0.9928000      1.242000      ?             ?      
1 1 1 47 0  9  o 0.6513000      1.244000      ?             ?      
1 1 1 47 0  10 o -0.4353000E-01 1.248000      ?             ?      
1 1 1 47 0  11 o -0.5057000     1.248000      ?             ?      
1 1 1 47 0  12 o 0.7612000      1.256000      ?             ?      
1 1 1 47 0  13 o -1.287000      1.274000      ?             ?      
1 1 1 47 0  14 o -0.5247000E-02 1.256000      ?             ?      
1 1 1 47 0  15 o 0.2562000E-02  1.267000      ?             ?      
1 1 1 47 0  16 o 1.234000       1.262000      ?             ?      
1 1 1 47 0  17 o 1.646000       1.257000      ?             ?      
1 1 1 47 0  18 o 0.1072000      1.297000      ?             ?      
1 1 1 47 0  19 o -0.3680000     1.340000      ?             ?      
1 1 1 47 0  20 o -0.4536000E-02 1.284000      ?             ?      
1 1 1 47 0  21 o -0.7482000     1.284000      ?             ?      
1 1 1 47 0  22 o -1.125000      1.305000      ?             ?      
1 1 1 47 0  23 o -0.1921000     1.277000      ?             ?      
1 1 1 47 0  24 o -0.5970000     1.276000      ?             ?      
1 1 1 47 0  25 o -1.168000      1.275000      ?             ?      
1 1 1 47 0  26 o -0.9106000E-01 1.264000      ?             ?      
1 1 1 47 0  27 o -1.001000      1.278000      ?             ?      
1 1 1 47 0  28 o -0.5502000     1.248000      ?             ?      
1 1 1 47 0  29 o -0.1983000     1.252000      ?             ?      
1 1 1 47 0  30 o -0.3750000E-01 1.273000      ?             ?      
1 1 1 47 0  31 o -2.170000      1.282000      ?             ?      
1 1 1 47 0  32 o -0.5316000     1.464000      ?             ?      
1 1 1 47 0  33 o 2.393000       1.428000      ?             ?      
1 1 1 47 0  34 o 0.4527000      1.925000      ?             ?      
1 1 1 47 0  35 o 0.5969000      1.914000      ?             ?      
1 1 1 47 0  36 o 0.1667000E-01  1.742000      ?             ?      
1 1 1 47 0  37 o -0.6995000     1.508000      ?             ?      
1 1 1 47 0  38 o 0.4276000      1.515000      ?             ?      
1 1 1 47 0  39 o 0.3102000      1.479000      ?             ?      
1 1 1 47 0  40 o 0.1887000E-02  1.554000      ?             ?      
1 1 1 47 0  41 o -0.4901000     1.556000      ?             ?      
1 1 1 47 1  0  o -0.4221000     1.146000      ?             ?      
1 1 1 47 1  1  o -0.6083000     0.8175000     ?             ?      
1 1 1 47 1  2  o -0.1608000E-01 0.8163000     ?             ?      
1 1 1 47 1  3  o -0.3136000     0.8142000     ?             ?      
1 1 1 47 1  4  o -0.1449000     0.8159000     ?             ?      
1 1 1 47 1  5  o -0.9624000     0.8284000     ?             ?      
1 1 1 47 1  6  o 0.3371000      0.8360000     ?             ?      
1 1 1 47 1  7  o -0.6187000     0.8493000     ?             ?      
1 1 1 47 1  8  o 0.4044000      0.8666000     ?             ?      
1 1 1 47 1  9  o -0.1631000     0.8757000     ?             ?      
1 1 1 47 1  10 o -1.054000      0.8782000     ?             ?      
1 1 1 47 1  11 f -1.530000      0.8780000     ?             ?      
1 1 1 47 1  12 o -0.9530000E-02 0.8835000     ?             ?      
1 1 1 47 1  13 o -0.8615000     0.8850000     ?             ?      
1 1 1 47 1  14 o 0.7884000      0.8973000     ?             ?      
1 1 1 47 1  15 o -0.8527000     0.8962000     ?             ?      
1 1 1 47 1  16 o 0.7786000      0.8963000     ?             ?      
1 1 1 47 1  17 o -1.026000      0.8874000     ?             ?      
1 1 1 47 1  18 o -0.3805000     0.9844000     ?             ?      
1 1 1 47 1  19 o -0.3758000     0.9874000     ?             ?      
1 1 1 47 1  20 o 0.9588000      0.9171000     ?             ?      
1 1 1 47 1  21 o 1.211000       0.9202000     ?             ?      
1 1 1 47 1  22 o 0.7218000      0.9247000     ?             ?      
1 1 1 47 1  23 o -0.1073000     0.9087000     ?             ?      
1 1 1 47 1  24 o 0.3625000      0.9055000     ?             ?      
1 1 1 47 1  25 o 0.6603000      0.9087000     ?             ?      
1 1 1 47 1  26 o -0.6219000E-01 0.8982000     ?             ?      
1 1 1 47 1  27 o -0.1919000     0.8911000     ?             ?      
1 1 1 47 1  28 o 0.9014000E-01  0.8785000     ?             ?      
1 1 1 47 1  29 o -1.256000      0.9503000     ?             ?      
1 1 1 47 1  30 o -0.5546000E-01 0.9832000     ?             ?      
1 1 1 47 1  31 o -0.7995000     0.9286000     ?             ?      
1 1 1 47 1  32 o 0.4216000      0.9444000     ?             ?      
1 1 1 47 1  33 o 0.3717000      0.9368000     ?             ?      
1 1 1 47 1  34 o -0.8950000     1.354000      ?             ?      
1 1 1 47 1  35 o 0.9110000      1.428000      ?             ?      
1 1 1 47 1  36 o -0.2869000E-01 1.714000      ?             ?      
1 1 1 47 1  37 o -2.196000      1.506000      ?             ?      
1 1 1 47 1  38 o 0.3511000      1.110000      ?             ?      
1 1 1 47 1  39 o -0.3814000     1.237000      ?             ?      
1 1 1 47 1  40 o -0.1547000     1.565000      ?             ?      
1 1 1 47 1  41 o 0.7448000      2.588000      ?             ?      
1 1 1 47 2  0  o -0.1186000     1.160000      ?             ?      
1 1 1 47 2  1  o 0.4574000      0.8200000     ?             ?      
1 1 1 47 2  2  o 0.3527000      0.8225000     ?             ?      
1 1 1 47 2  3  o 0.7505000E-01  0.8219000     ?             ?      
1 1 1 47 2  4  o 0.3163000      0.8191000     ?             ?      
1 1 1 47 2  5  o -0.5268000     0.8213000     ?             ?      
1 1 1 47 2  6  o -0.4764000     0.8376000     ?             ?      
1 1 1 47 2  7  o -0.9309000     0.8427000     ?             ?      
1 1 1 47 2  8  o -1.031000      0.8636000     ?             ?      
1 1 1 47 2  9  o 0.2741000      0.8733000     ?             ?      
1 1 1 47 2  10 o 0.7369000      0.8773000     ?             ?      
1 1 1 47 2  11 o -0.6562000     0.8850000     ?             ?      
1 1 1 47 2  12 o 0.5179000E-01  0.9018000     ?             ?      
1 1 1 47 2  13 o -0.9443000     0.8986000     ?             ?      
1 1 1 47 2  14 o -0.9058000     0.9165000     ?             ?      
1 1 1 47 2  15 f -0.9123000     0.8909000     ?             ?      
1 1 1 47 2  16 o -0.2975000     0.8865000     ?             ?      
1 1 1 47 2  17 o -0.4840000     0.9081000     ?             ?      
1 1 1 47 2  18 o -0.9387000E-01 0.9599000     ?             ?      
1 1 1 47 2  19 o 0.2540000      0.9623000     ?             ?      
1 1 1 47 2  20 o -1.580000      0.9894000     ?             ?      
1 1 1 47 2  21 o -0.1358000E-01 0.9181000     ?             ?      
1 1 1 47 2  22 o 2.397000       0.9224000     ?             ?      
1 1 1 47 2  23 o -0.5639000     0.9163000     ?             ?      
1 1 1 47 2  24 o -0.3753000     0.9122000     ?             ?      
1 1 1 47 2  25 o -1.442000      0.9017000     ?             ?      
1 1 1 47 2  26 o 0.4018000      0.9057000     ?             ?      
1 1 1 47 2  27 o -0.1287000     0.9531000     ?             ?      
1 1 1 47 2  28 o -1.016000      0.9773000     ?             ?      
1 1 1 47 2  29 o -1.161000      0.9400000     ?             ?      
1 1 1 47 2  30 o -0.6021000     0.9269000     ?             ?      
1 1 1 47 2  31 o -0.2880000     0.9025000     ?             ?      
1 1 1 47 2  32 o -0.4356000     0.9165000     ?             ?      
1 1 1 47 2  33 o 1.770000       1.075000      ?             ?      
1 1 1 47 2  34 o -0.9182000     1.083000      ?             ?      
1 1 1 47 2  35 o -0.4907000     1.209000      ?             ?      
1 1 1 47 2  36 o -1.030000      1.351000      ?             ?      
1 1 1 47 2  37 o -0.8801000     1.150000      ?             ?      
1 1 1 47 2  38 o -0.5835000     1.134000      ?             ?      
1 1 1 47 2  39 o -0.9293000     1.154000      ?             ?      
1 1 1 47 2  40 o 0.7561000      1.420000      ?             ?      
1 1 1 47 2  41 o 0.1424000      1.493000      ?             ?      
1 1 1 47 3  0  o 0.9928000E-01  1.174000      ?             ?      
1 1 1 47 3  1  o -0.1867000E-01 0.8238000     ?             ?      
1 1 1 47 3  2  o -0.9151000     0.8114000     ?             ?      
1 1 1 47 3  3  o 0.1290000      0.8180000     ?             ?      
1 1 1 47 3  4  o -0.6434000     0.8191000     ?             ?      
1 1 1 47 3  5  o -0.5956000     0.8171000     ?             ?      
1 1 1 47 3  6  o 0.1820000      0.8373000     ?             ?      
1 1 1 47 3  7  o 1.629000       0.8491000     ?             ?      
1 1 1 47 3  8  o 0.5007000E-01  0.8611000     ?             ?      
1 1 1 47 3  9  o -0.3751000     0.8711000     ?             ?      
1 1 1 47 3  10 o -1.028000      0.8808000     ?             ?      
1 1 1 47 3  11 o -0.4831000     0.8812000     ?             ?      
1 1 1 47 3  12 o -0.6777000     0.8920000     ?             ?      
1 1 1 47 3  13 o 0.8888000      0.9031000     ?             ?      
1 1 1 47 3  14 o -0.3452000     0.9054000     ?             ?      
1 1 1 47 3  15 o -0.1903000     0.8967000     ?             ?      
1 1 1 47 3  16 o -0.6831000     0.9015000     ?             ?      
1 1 1 47 3  17 o -0.2194000     0.9908000     ?             ?      
1 1 1 47 3  18 o 0.2359000      0.9536000     ?             ?      
1 1 1 47 3  19 o -1.391000      0.9490000     ?             ?      
1 1 1 47 3  20 o -0.9508000E-02 0.9705000     ?             ?      
1 1 1 47 3  21 o -0.3989000     0.9325000     ?             ?      
1 1 1 47 3  22 o 0.8636000      0.9096000     ?             ?      
1 1 1 47 3  23 o -0.5689000     0.9108000     ?             ?      
1 1 1 47 3  24 o -0.2536000     0.9829000     ?             ?      
1 1 1 47 3  25 o -0.3348000     1.002000      ?             ?      
1 1 1 47 3  26 o -1.254000      0.9267000     ?             ?      
1 1 1 47 3  27 o 0.2594000      0.9207000     ?             ?      
1 1 1 47 3  28 o -0.6833000     0.9196000     ?             ?      
1 1 1 47 3  29 o 0.2628000      0.8928000     ?             ?      
1 1 1 47 3  30 o 0.6794000      0.8995000     ?             ?      
1 1 1 47 3  31 o 0.4656000      0.9065000     ?             ?      
1 1 1 47 3  32 o 0.1399000      0.9114000     ?             ?      
1 1 1 47 3  33 o -0.4283000     1.049000      ?             ?      
1 1 1 47 3  34 o -0.1499000     1.063000      ?             ?      
1 1 1 47 3  35 o -1.376000      1.283000      ?             ?      
1 1 1 47 3  36 o -0.7477000     1.340000      ?             ?      
1 1 1 47 3  37 o 1.663000       1.653000      ?             ?      
1 1 1 47 3  38 o -0.9758000     1.064000      ?             ?      
1 1 1 47 3  39 o -1.174000      1.136000      ?             ?      
1 1 1 47 3  40 o -0.5580000     1.070000      ?             ?      
1 1 1 47 3  41 o -1.903000      2.671000      ?             ?      
1 1 1 47 4  0  o -1.140000      1.149000      ?             ?      
1 1 1 47 4  1  o -0.3352000     0.8097000     ?             ?      
1 1 1 47 4  2  o -0.3296000     0.8087000     ?             ?      
1 1 1 47 4  3  o -0.5357000     0.8255000     ?             ?      
1 1 1 47 4  4  o 0.3054000      0.8220000     ?             ?      
1 1 1 47 4  5  o -0.5356000     0.8374000     ?             ?      
1 1 1 47 4  6  o -2.168000      0.8432000     ?             ?      
1 1 1 47 4  7  o 1.101000       0.8522000     ?             ?      
1 1 1 47 4  8  o 0.7171000      0.8519000     ?             ?      
1 1 1 47 4  9  o -0.3980000     0.8731000     ?             ?      
1 1 1 47 4  10 o -0.4267000     0.8722000     ?             ?      
1 1 1 47 4  11 o 0.7334000      0.8875000     ?             ?      
1 1 1 47 4  12 o 1.160000       0.8929000     ?             ?      
1 1 1 47 4  13 o 0.1638000      0.9063000     ?             ?      
1 1 1 47 4  14 o 0.3633000      0.8990000     ?             ?      
1 1 1 47 4  15 o -0.4544000     0.8969000     ?             ?      
1 1 1 47 4  16 o -2.216000      0.9967000     ?             ?      
1 1 1 47 4  17 o 0.6212000E-01  0.9790000     ?             ?      
1 1 1 47 4  18 o -0.1320000E-02 0.9715000     ?             ?      
1 1 1 47 4  19 o 0.2139000E-01  0.9717000     ?             ?      
1 1 1 47 4  20 o -1.324000      0.9600000     ?             ?      
1 1 1 47 4  21 o -0.3049000     1.004000      ?             ?      
1 1 1 47 4  22 o 1.708000       1.003000      ?             ?      
1 1 1 47 4  23 o 0.1953000      1.034000      ?             ?      
1 1 1 47 4  24 o -0.5909000     0.9785000     ?             ?      
1 1 1 47 4  25 o -0.2666000     0.9357000     ?             ?      
1 1 1 47 4  26 o 0.5744000      0.8993000     ?             ?      
1 1 1 47 4  27 o -0.1388000     0.8914000     ?             ?      
1 1 1 47 4  28 o -1.152000      0.8998000     ?             ?      
1 1 1 47 4  29 o -0.4000000     0.9031000     ?             ?      
1 1 1 47 4  30 o 0.7253000      0.9034000     ?             ?      
1 1 1 47 4  31 o -0.8959000     0.8986000     ?             ?      
1 1 1 47 4  32 o 0.5547000      0.9088000     ?             ?      
1 1 1 47 4  33 o -0.7277000     1.051000      ?             ?      
1 1 1 47 4  34 o 1.374000       1.056000      ?             ?      
1 1 1 47 4  35 o -0.3211000     1.425000      ?             ?      
1 1 1 47 4  36 o 0.1199000      1.292000      ?             ?      
1 1 1 47 4  37 o 1.305000       1.638000      ?             ?      
1 1 1 47 4  38 o 0.1930000      1.068000      ?             ?      
1 1 1 47 4  39 o 0.2727000      1.079000      ?             ?      
1 1 1 47 4  40 o 0.1350000      1.022000      ?             ?      
1 1 1 47 4  41 o -0.4802000     1.302000      ?             ?      
1 1 1 47 5  0  o 0.2062000      1.167000      ?             ?      
1 1 1 47 5  1  o 0.4207000      0.8149000     ?             ?      
1 1 1 47 5  2  o 1.323000       0.8137000     ?             ?      
1 1 1 47 5  3  o -0.8225000     0.8081000     ?             ?      
1 1 1 47 5  4  o 0.2917000      0.8207000     ?             ?      
1 1 1 47 5  5  o -0.2946000     0.8440000     ?             ?      
1 1 1 47 5  6  o 0.1688000      0.8441000     ?             ?      
1 1 1 47 5  7  o -1.605000      0.8434000     ?             ?      
1 1 1 47 5  8  o -0.2795000E-02 0.8502000     ?             ?      
1 1 1 47 5  9  o -2.488000      0.8741000     ?             ?      
1 1 1 47 5  10 o -0.7396000     0.8821000     ?             ?      
1 1 1 47 5  11 o -0.4338000     0.8798000     ?             ?      
1 1 1 47 5  12 o -0.1922000E-01 0.8869000     ?             ?      
1 1 1 47 5  13 o -0.1079000     0.8930000     ?             ?      
1 1 1 47 5  14 o -0.6479000     0.8978000     ?             ?      
1 1 1 47 5  15 o -0.8808000     0.9138000     ?             ?      
1 1 1 47 5  16 o 0.3135000      1.019000      ?             ?      
1 1 1 47 5  17 o -0.5070000     0.9732000     ?             ?      
1 1 1 47 5  18 o -0.9940000     0.9745000     ?             ?      
1 1 1 47 5  19 o -0.5467000     0.9831000     ?             ?      
1 1 1 47 5  20 o 1.306000       0.9922000     ?             ?      
1 1 1 47 5  21 o 0.6287000E-03  0.9861000     ?             ?      
1 1 1 47 5  22 o 0.6736000      0.9667000     ?             ?      
1 1 1 47 5  23 o -1.308000      0.9373000     ?             ?      
1 1 1 47 5  24 o -0.5093000     0.9050000     ?             ?      
1 1 1 47 5  25 o 1.113000       0.9150000     ?             ?      
1 1 1 47 5  26 o 0.5165000      0.9095000     ?             ?      
1 1 1 47 5  27 o 0.6772000      0.9029000     ?             ?      
1 1 1 47 5  28 o -0.2925000     0.8979000     ?             ?      
1 1 1 47 5  29 o 0.4941000      0.9172000     ?             ?      
1 1 1 47 5  30 o 0.6771000      0.9056000     ?             ?      
1 1 1 47 5  31 o 0.7018000      0.9030000     ?             ?      
1 1 1 47 5  32 o 0.6478000      1.047000      ?             ?      
1 1 1 47 5  33 o -1.797000      1.039000      ?             ?      
1 1 1 47 5  34 o 0.6766000      1.379000      ?             ?      
1 1 1 47 5  35 o 0.3942000      1.326000      ?             ?      
1 1 1 47 5  36 o 1.907000       1.576000      ?             ?      
1 1 1 47 5  37 f -1.615000      1.402000      ?             ?      
1 1 1 47 5  38 o -0.3430000     1.067000      ?             ?      
1 1 1 47 5  39 o 0.8761000      1.187000      ?             ?      
1 1 1 47 5  40 o -0.5864000     1.107000      ?             ?      
1 1 1 47 5  41 o 0.2678000      2.019000      ?             ?      
1 1 1 47 6  0  f -0.6809000     1.162000      ?             ?      
1 1 1 47 6  1  o 0.1867000      0.8238000     ?             ?      
1 1 1 47 6  2  o 0.2741000      0.8155000     ?             ?      
1 1 1 47 6  3  o -0.6055000     0.8069000     ?             ?      
1 1 1 47 6  4  o 0.5496000      0.8363000     ?             ?      
1 1 1 47 6  5  o -1.556000      0.8340000     ?             ?      
1 1 1 47 6  6  o -0.2996000     0.8379000     ?             ?      
1 1 1 47 6  7  o 0.3645000      0.8470000     ?             ?      
1 1 1 47 6  8  o 0.1518000      0.8527000     ?             ?      
1 1 1 47 6  9  o 1.012000       0.8627000     ?             ?      
1 1 1 47 6  10 o -0.6777000     0.8938000     ?             ?      
1 1 1 47 6  11 o -0.5133000     0.8822000     ?             ?      
1 1 1 47 6  12 o 0.9975000      0.8996000     ?             ?      
1 1 1 47 6  13 o -0.3406000E-01 0.8952000     ?             ?      
1 1 1 47 6  14 o 0.1221000      0.9006000     ?             ?      
1 1 1 47 6  15 o -0.2524000     1.021000      ?             ?      
1 1 1 47 6  16 o -0.9104000     0.9936000     ?             ?      
1 1 1 47 6  17 o -0.1909000     0.9937000     ?             ?      
1 1 1 47 6  18 o 0.4598000      1.019000      ?             ?      
1 1 1 47 6  19 o 0.8767000      1.044000      ?             ?      
1 1 1 47 6  20 o 0.7034000      0.9930000     ?             ?      
1 1 1 47 6  21 o 0.5529000      0.9652000     ?             ?      
1 1 1 47 6  22 o 1.279000       0.9846000     ?             ?      
1 1 1 47 6  23 o -0.2350000     0.9358000     ?             ?      
1 1 1 47 6  24 o 0.9339000      0.9140000     ?             ?      
1 1 1 47 6  25 o -0.5746000     0.9018000     ?             ?      
1 1 1 47 6  26 o 0.8790000      0.9167000     ?             ?      
1 1 1 47 6  27 o -0.8537000     0.9066000     ?             ?      
1 1 1 47 6  28 o 0.3891000      0.9023000     ?             ?      
1 1 1 47 6  29 o -0.6235000     0.8987000     ?             ?      
1 1 1 47 6  30 o 0.6891000      0.9101000     ?             ?      
1 1 1 47 6  31 o 0.3710000      0.9105000     ?             ?      
1 1 1 47 6  32 o 0.7031000      1.059000      ?             ?      
1 1 1 47 6  33 o 1.411000       1.055000      ?             ?      
1 1 1 47 6  34 o -0.5742000     1.220000      ?             ?      
1 1 1 47 6  35 o -0.1127000     1.123000      ?             ?      
1 1 1 47 6  36 o -0.8138000     1.313000      ?             ?      
1 1 1 47 6  37 o 0.5691000      1.197000      ?             ?      
1 1 1 47 6  38 o -0.7743000     1.034000      ?             ?      
1 1 1 47 6  39 o 0.5170000      0.9789000     ?             ?      
1 1 1 47 6  40 o 1.779000       1.100000      ?             ?      
1 1 1 47 6  41 o 1.717000       3.005000      ?             ?      
1 1 1 47 7  0  o 0.8869000      1.162000      ?             ?      
1 1 1 47 7  1  o 1.933000       0.8269000     ?             ?      
1 1 1 47 7  2  o 0.3511000      0.8229000     ?             ?      
1 1 1 47 7  3  o -0.6819000     0.8126000     ?             ?      
1 1 1 47 7  4  o 0.2357000E-01  0.8282000     ?             ?      
1 1 1 47 7  5  o 1.718000       0.8346000     ?             ?      
1 1 1 47 7  6  o 0.7790000      0.8405000     ?             ?      
1 1 1 47 7  7  o 0.7836000      0.8367000     ?             ?      
1 1 1 47 7  8  o 0.4887000      0.8448000     ?             ?      
1 1 1 47 7  9  o 0.9832000      0.8599000     ?             ?      
1 1 1 47 7  10 o 0.4227000      0.8894000     ?             ?      
1 1 1 47 7  11 o -0.5289000     0.8996000     ?             ?      
1 1 1 47 7  12 o -0.1887000     0.9008000     ?             ?      
1 1 1 47 7  13 o 0.1851000      0.8904000     ?             ?      
1 1 1 47 7  14 f 0.2306000      0.9148000     ?             ?      
1 1 1 47 7  15 o 2.171000       1.071000      ?             ?      
1 1 1 47 7  16 o 0.9575000      1.028000      ?             ?      
1 1 1 47 7  17 o -0.8262000     1.011000      ?             ?      
1 1 1 47 7  18 o -1.487000      1.011000      ?             ?      
1 1 1 47 7  19 o 0.1542000      1.001000      ?             ?      
1 1 1 47 7  20 o 0.8376000      0.9816000     ?             ?      
1 1 1 47 7  21 o -0.1535000     0.9799000     ?             ?      
1 1 1 47 7  22 o 0.1397000      0.9781000     ?             ?      
1 1 1 47 7  23 o 1.106000       1.015000      ?             ?      
1 1 1 47 7  24 o 0.9836000      0.9096000     ?             ?      
1 1 1 47 7  25 o -0.5482000     0.8959000     ?             ?      
1 1 1 47 7  26 o 0.2406000      0.9130000     ?             ?      
1 1 1 47 7  27 o -0.5623000     0.9089000     ?             ?      
1 1 1 47 7  28 o -0.4338000     0.9077000     ?             ?      
1 1 1 47 7  29 o 0.9474000      0.9066000     ?             ?      
1 1 1 47 7  30 o -0.1004000     0.9139000     ?             ?      
1 1 1 47 7  31 o 0.4281000      0.9213000     ?             ?      
1 1 1 47 7  32 o 0.6832000      1.190000      ?             ?      
1 1 1 47 7  33 o 0.2538000      1.212000      ?             ?      
1 1 1 47 7  34 o 0.2071000      1.426000      ?             ?      
1 1 1 47 7  35 o 0.7260000      1.519000      ?             ?      
1 1 1 47 7  36 o 0.8555000      1.327000      ?             ?      
1 1 1 47 7  37 o -0.1855000     1.114000      ?             ?      
1 1 1 47 7  38 o 1.187000       1.176000      ?             ?      
1 1 1 47 7  39 o 0.2822000      0.9890000     ?             ?      
1 1 1 47 7  40 o 0.8953000E-01  1.057000      ?             ?      
1 1 1 47 7  41 o 0.2687000      3.116000      ?             ?      
1 1 1 47 8  0  o -0.3427000     1.141000      ?             ?      
1 1 1 47 8  1  o 0.8261000      0.8171000     ?             ?      
1 1 1 47 8  2  o -0.9416000     0.8197000     ?             ?      
1 1 1 47 8  3  o 0.3295000      0.8779000     ?             ?      
1 1 1 47 8  4  o 1.183000       0.8320000     ?             ?      
1 1 1 47 8  5  o -0.2290000     0.8325000     ?             ?      
1 1 1 47 8  6  o 0.6120000      0.8402000     ?             ?      
1 1 1 47 8  7  o -0.4500000     0.8465000     ?             ?      
1 1 1 47 8  8  o -0.3149000     0.8472000     ?             ?      
1 1 1 47 8  9  o 0.4557000      0.8884000     ?             ?      
1 1 1 47 8  10 o 0.3200000      0.8869000     ?             ?      
1 1 1 47 8  11 o 0.9441000      0.9018000     ?             ?      
1 1 1 47 8  12 o 0.3523000      0.9076000     ?             ?      
1 1 1 47 8  13 o 1.013000       0.9550000     ?             ?      
1 1 1 47 8  14 o -0.4723000     1.048000      ?             ?      
1 1 1 47 8  15 o 0.8601000      1.011000      ?             ?      
1 1 1 47 8  16 o -0.7045000     0.9820000     ?             ?      
1 1 1 47 8  17 o -0.5661000     0.9940000     ?             ?      
1 1 1 47 8  18 o 0.3072000      1.004000      ?             ?      
1 1 1 47 8  19 o 0.4954000      1.003000      ?             ?      
1 1 1 47 8  20 o 0.3666000      0.9961000     ?             ?      
1 1 1 47 8  21 o -0.6771000     0.9828000     ?             ?      
1 1 1 47 8  22 o -0.2670000     0.9701000     ?             ?      
1 1 1 47 8  23 o -1.093000      0.9869000     ?             ?      
1 1 1 47 8  24 o 0.4492000      0.9938000     ?             ?      
1 1 1 47 8  25 o -0.8756000     0.9019000     ?             ?      
1 1 1 47 8  26 o -0.4710000     0.9091000     ?             ?      
1 1 1 47 8  27 o -1.358000      0.9189000     ?             ?      
1 1 1 47 8  28 o 0.2688000      0.9210000     ?             ?      
1 1 1 47 8  29 o -0.6690000E-01 0.9931000     ?             ?      
1 1 1 47 8  30 o 0.2690000      0.9629000     ?             ?      
1 1 1 47 8  31 o 0.5161000      1.179000      ?             ?      
1 1 1 47 8  32 o 2.296000       1.182000      ?             ?      
1 1 1 47 8  33 o -1.254000      1.085000      ?             ?      
1 1 1 47 8  34 o -0.1409000     1.040000      ?             ?      
1 1 1 47 8  35 o -1.287000      1.098000      ?             ?      
1 1 1 47 8  36 o 1.641000       1.328000      ?             ?      
1 1 1 47 8  37 o 0.7895000      1.139000      ?             ?      
1 1 1 47 8  38 o -0.3457000     1.121000      ?             ?      
1 1 1 47 8  39 o -0.6741000     0.9904000     ?             ?      
1 1 1 47 8  40 o -0.4377000     1.268000      ?             ?      
1 1 1 47 9  0  o 0.6649000      1.153000      ?             ?      
1 1 1 47 9  1  o 0.2090000      0.8111000     ?             ?      
1 1 1 47 9  2  o -0.7456000E-01 0.8130000     ?             ?      
1 1 1 47 9  3  o -0.4562000     0.8279000     ?             ?      
1 1 1 47 9  4  o 0.5324000      0.8219000     ?             ?      
1 1 1 47 9  5  o 0.3298000      0.8271000     ?             ?      
1 1 1 47 9  6  o -1.188000      0.8569000     ?             ?      
1 1 1 47 9  7  o -1.091000      0.8614000     ?             ?      
1 1 1 47 9  8  o 0.3536000      0.8494000     ?             ?      
1 1 1 47 9  9  o 0.1595000      0.8565000     ?             ?      
1 1 1 47 9  10 o 0.4637000      0.9215000     ?             ?      
1 1 1 47 9  11 o -0.8502000     0.9601000     ?             ?      
1 1 1 47 9  12 o -0.3598000     0.9263000     ?             ?      
1 1 1 47 9  13 o 1.255000       0.9135000     ?             ?      
1 1 1 47 9  14 o -0.4744000     1.005000      ?             ?      
1 1 1 47 9  15 o 0.8623000      0.9781000     ?             ?      
1 1 1 47 9  16 o -1.110000      0.9917000     ?             ?      
1 1 1 47 9  17 o 0.3804000      0.9996000     ?             ?      
1 1 1 47 9  18 o 0.7034000      0.9967000     ?             ?      
1 1 1 47 9  19 o -0.4531000     0.9997000     ?             ?      
1 1 1 47 9  20 o 0.7209000      0.9958000     ?             ?      
1 1 1 47 9  21 o 0.6246000E-01  0.9858000     ?             ?      
1 1 1 47 9  22 o -0.3945000     0.9852000     ?             ?      
1 1 1 47 9  23 o -0.1555000     0.9669000     ?             ?      
1 1 1 47 9  24 o 0.2213000      0.9744000     ?             ?      
1 1 1 47 9  25 o -0.8731000E-02 0.9323000     ?             ?      
1 1 1 47 9  26 o -0.2181000     0.9137000     ?             ?      
1 1 1 47 9  27 o 1.158000       0.9670000     ?             ?      
1 1 1 47 9  28 o -0.9701000     0.9611000     ?             ?      
1 1 1 47 9  29 o -0.3663000     1.034000      ?             ?      
1 1 1 47 9  30 f 0.1784000E-02  1.049000      ?             ?      
1 1 1 47 9  31 o -0.1409000     1.054000      ?             ?      
1 1 1 47 9  32 o -0.1900000     1.080000      ?             ?      
1 1 1 47 9  33 o -1.102000      1.123000      ?             ?      
1 1 1 47 9  34 o -1.349000      1.051000      ?             ?      
1 1 1 47 9  35 o -1.243000      1.041000      ?             ?      
1 1 1 47 9  36 o 0.7498000      1.119000      ?             ?      
1 1 1 47 9  37 o 1.289000       1.100000      ?             ?      
1 1 1 47 9  38 o -0.2534000     1.113000      ?             ?      
1 1 1 47 9  39 o 0.5399000      0.9913000     ?             ?      
1 1 1 47 9  40 o -1.702000      1.262000      ?             ?      
1 1 1 47 10 0  o -0.3992000     1.149000      ?             ?      
1 1 1 47 10 1  o 0.3636000      0.8154000     ?             ?      
1 1 1 47 10 2  o 1.374000       0.8349000     ?             ?      
1 1 1 47 10 3  o 0.6571000E-01  0.8280000     ?             ?      
1 1 1 47 10 4  o -0.6531000     0.8443000     ?             ?      
1 1 1 47 10 5  o -0.1242000     0.8415000     ?             ?      
1 1 1 47 10 6  o -0.6960000     0.8303000     ?             ?      
1 1 1 47 10 7  o -0.2159000     0.8561000     ?             ?      
1 1 1 47 10 8  o 0.1159000      0.9124000     ?             ?      
1 1 1 47 10 9  o -2.337000      0.8982000     ?             ?      
1 1 1 47 10 10 o 0.4332000E-02  0.9025000     ?             ?      
1 1 1 47 10 11 o 1.482000       0.8925000     ?             ?      
1 1 1 47 10 12 o 0.9718000E-01  0.9023000     ?             ?      
1 1 1 47 10 13 o 0.3909000      0.9302000     ?             ?      
1 1 1 47 10 14 o -1.280000      0.9894000     ?             ?      
1 1 1 47 10 15 o -0.7973000     0.9785000     ?             ?      
1 1 1 47 10 16 o 0.8366000      0.9864000     ?             ?      
1 1 1 47 10 17 o -0.8618000     0.9991000     ?             ?      
1 1 1 47 10 18 o 0.4766000      1.001000      ?             ?      
1 1 1 47 10 19 o 1.048000       0.9982000     ?             ?      
1 1 1 47 10 20 o 0.6697000      0.9951000     ?             ?      
1 1 1 47 10 21 o 1.393000       0.9894000     ?             ?      
1 1 1 47 10 22 o -0.3106000     1.004000      ?             ?      
1 1 1 47 10 23 o 0.2379000      1.015000      ?             ?      
1 1 1 47 10 24 o 1.765000       1.066000      ?             ?      
1 1 1 47 10 25 o 0.1081000E-02  1.054000      ?             ?      
1 1 1 47 10 26 o 0.3869000      0.9405000     ?             ?      
1 1 1 47 10 27 o -1.381000      0.9976000     ?             ?      
1 1 1 47 10 28 o -1.361000      1.009000      ?             ?      
1 1 1 47 10 29 o 0.2545000      0.9223000     ?             ?      
1 1 1 47 10 30 o -0.6361000     0.9298000     ?             ?      
1 1 1 47 10 31 o -1.415000      1.083000      ?             ?      
1 1 1 47 10 32 o 1.239000       1.096000      ?             ?      
1 1 1 47 10 33 o -0.3801000     1.184000      ?             ?      
1 1 1 47 10 34 o 0.6359000      1.098000      ?             ?      
1 1 1 47 10 35 o 0.6107000      1.028000      ?             ?      
1 1 1 47 10 36 o -0.5608000     1.108000      ?             ?      
1 1 1 47 10 37 o -1.162000      1.091000      ?             ?      
1 1 1 47 10 38 o -0.6002000     1.103000      ?             ?      
1 1 1 47 10 39 o -0.8528000E-01 1.027000      ?             ?      
1 1 1 47 10 40 o 1.935000       3.009000      ?             ?      
1 1 1 47 11 0  o -1.032000      1.175000      ?             ?      
1 1 1 47 11 1  o -0.6356000     0.8581000     ?             ?      
1 1 1 47 11 2  o 0.2850000      0.8496000     ?             ?      
1 1 1 47 11 3  o -1.008000      0.8254000     ?             ?      
1 1 1 47 11 4  o -1.060000      0.8181000     ?             ?      
1 1 1 47 11 5  o -0.2987000     0.8818000     ?             ?      
1 1 1 47 11 6  o -0.7817000     0.9536000     ?             ?      
1 1 1 47 11 7  o -0.6759000     0.8767000     ?             ?      
1 1 1 47 11 8  o 0.6133000      0.8431000     ?             ?      
1 1 1 47 11 9  f -0.2874000E-01 0.8520000     ?             ?      
1 1 1 47 11 10 o 1.208000       0.8737000     ?             ?      
1 1 1 47 11 11 o -0.3193000     0.8881000     ?             ?      
1 1 1 47 11 12 o 1.170000       0.8988000     ?             ?      
1 1 1 47 11 13 o -1.263000      1.015000      ?             ?      
1 1 1 47 11 14 o 0.2442000      0.9870000     ?             ?      
1 1 1 47 11 15 o -0.6807000     0.9806000     ?             ?      
1 1 1 47 11 16 o -0.1143000     0.9877000     ?             ?      
1 1 1 47 11 17 o 0.3649000      0.9928000     ?             ?      
1 1 1 47 11 18 o 0.2788000      1.005000      ?             ?      
1 1 1 47 11 19 o 1.406000       1.013000      ?             ?      
1 1 1 47 11 20 o 0.7862000E-01  1.042000      ?             ?      
1 1 1 47 11 21 f -0.4170000     1.029000      ?             ?      
1 1 1 47 11 22 o 2.170000       1.020000      ?             ?      
1 1 1 47 11 23 o 0.3416000      1.024000      ?             ?      
1 1 1 47 11 24 o -0.6797000     1.148000      ?             ?      
1 1 1 47 11 25 o -0.4577000     1.160000      ?             ?      
1 1 1 47 11 26 o -0.7499000     1.024000      ?             ?      
1 1 1 47 11 27 o 0.3228000      0.9275000     ?             ?      
1 1 1 47 11 28 o -0.9935000     0.9209000     ?             ?      
1 1 1 47 11 29 o 0.3295000      0.9249000     ?             ?      
1 1 1 47 11 30 o 0.3531000      1.049000      ?             ?      
1 1 1 47 11 31 o -0.4181000     1.077000      ?             ?      
1 1 1 47 11 32 o -1.483000      1.567000      ?             ?      
1 1 1 47 11 33 o -0.3256000     1.071000      ?             ?      
1 1 1 47 11 34 o 0.1018000      1.040000      ?             ?      
1 1 1 47 11 35 o -0.9727000E-01 1.004000      ?             ?      
1 1 1 47 11 36 o 0.6085000      0.9489000     ?             ?      
1 1 1 47 11 37 o -0.5649000E-01 1.103000      ?             ?      
1 1 1 47 11 38 o 0.2314000E-01  1.114000      ?             ?      
1 1 1 47 11 39 o 1.600000       1.252000      ?             ?      
1 1 1 47 12 0  o 0.2916000      1.166000      ?             ?      
1 1 1 47 12 1  o -0.2159000E-01 0.8538000     ?             ?      
1 1 1 47 12 2  o -0.7285000     0.8796000     ?             ?      
1 1 1 47 12 3  o 0.4222000      0.8967000     ?             ?      
1 1 1 47 12 4  o 1.115000       0.8856000     ?             ?      
1 1 1 47 12 5  o -0.5669000     0.8635000     ?             ?      
1 1 1 47 12 6  o 0.6321000      0.8283000     ?             ?      
1 1 1 47 12 7  o -0.2880000     0.8240000     ?             ?      
1 1 1 47 12 8  o 0.9446000      0.8437000     ?             ?      
1 1 1 47 12 9  o -0.3876000     0.8439000     ?             ?      
1 1 1 47 12 10 o 0.3591000      0.8493000     ?             ?      
1 1 1 47 12 11 o 0.3974000      0.8654000     ?             ?      
1 1 1 47 12 12 o 1.285000       0.9266000     ?             ?      
1 1 1 47 12 13 o 1.014000       0.9993000     ?             ?      
1 1 1 47 12 14 o -0.5746000     0.9925000     ?             ?      
1 1 1 47 12 15 o -0.3302000     0.9989000     ?             ?      
1 1 1 47 12 16 o -0.8498000     0.9960000     ?             ?      
1 1 1 47 12 17 o 0.8803000      1.007000      ?             ?      
1 1 1 47 12 18 o 1.165000       1.058000      ?             ?      
1 1 1 47 12 19 o 0.6454000      1.096000      ?             ?      
1 1 1 47 12 20 o 0.5855000      1.042000      ?             ?      
1 1 1 47 12 21 o 1.551000       1.037000      ?             ?      
1 1 1 47 12 22 o 0.1361000      1.140000      ?             ?      
1 1 1 47 12 23 o 0.6001000      1.159000      ?             ?      
1 1 1 47 12 24 o -0.5323000     0.9997000     ?             ?      
1 1 1 47 12 25 o -0.1854000     0.9968000     ?             ?      
1 1 1 47 12 26 o 0.7000000      1.005000      ?             ?      
1 1 1 47 12 27 o 1.438000       1.035000      ?             ?      
1 1 1 47 12 28 o 0.2391000      0.9334000     ?             ?      
1 1 1 47 12 29 o -1.954000      0.9194000     ?             ?      
1 1 1 47 12 30 o 0.2487000      1.083000      ?             ?      
1 1 1 47 12 31 o 2.206000       1.141000      ?             ?      
1 1 1 47 12 32 o -0.7251000     1.134000      ?             ?      
1 1 1 47 12 33 o 0.3452000      1.056000      ?             ?      
1 1 1 47 12 34 o 0.1500000E-01  1.000000      ?             ?      
1 1 1 47 12 35 o -0.4393000     0.9698000     ?             ?      
1 1 1 47 12 36 o 0.7490000      0.9472000     ?             ?      
1 1 1 47 12 37 o -0.7897000     1.094000      ?             ?      
1 1 1 47 12 38 o -0.2616000     1.171000      ?             ?      
1 1 1 47 12 39 o -3.569000      1.911000      ?             ?      
1 1 1 47 13 0  o 0.4991000      1.371000      ?             ?      
1 1 1 47 13 1  o -0.3120000     0.9875000     ?             ?      
1 1 1 47 13 2  o 1.137000       0.8922000     ?             ?      
1 1 1 47 13 3  o 0.7037000E-01  0.8594000     ?             ?      
1 1 1 47 13 4  o -0.8697000E-01 0.8544000     ?             ?      
1 1 1 47 13 5  o -0.9285000     0.8265000     ?             ?      
1 1 1 47 13 6  o -0.6849000     0.8276000     ?             ?      
1 1 1 47 13 7  o 0.2157000      0.8253000     ?             ?      
1 1 1 47 13 8  o -0.6388000E-01 0.8245000     ?             ?      
1 1 1 47 13 9  o -0.3003000E-01 0.8499000     ?             ?      
1 1 1 47 13 10 o -0.1360000     0.8485000     ?             ?      
1 1 1 47 13 11 o 1.589000       0.8621000     ?             ?      
1 1 1 47 13 12 o 0.2805000E-01  1.019000      ?             ?      
1 1 1 47 13 13 o 0.3751000      0.9970000     ?             ?      
1 1 1 47 13 14 o 0.1152000E-01  1.001000      ?             ?      
1 1 1 47 13 15 o 1.495000       1.043000      ?             ?      
1 1 1 47 13 16 o -0.1239000     1.047000      ?             ?      
1 1 1 47 13 17 o 0.2711000      1.041000      ?             ?      
1 1 1 47 13 18 o -2.169000      1.027000      ?             ?      
1 1 1 47 13 19 o -0.1886000     1.134000      ?             ?      
1 1 1 47 13 20 o 1.105000       1.174000      ?             ?      
1 1 1 47 13 21 o -0.4005000     1.019000      ?             ?      
1 1 1 47 13 22 o -0.3756000E-01 0.9932000     ?             ?      
1 1 1 47 13 23 o 0.7013000      1.007000      ?             ?      
1 1 1 47 13 24 o 1.435000       1.036000      ?             ?      
1 1 1 47 13 25 o 0.7769000      1.004000      ?             ?      
1 1 1 47 13 26 o -0.2015000     1.002000      ?             ?      
1 1 1 47 13 27 o 1.317000       1.015000      ?             ?      
1 1 1 47 13 28 o -0.7913000     1.030000      ?             ?      
1 1 1 47 13 29 o 0.1490000      0.9345000     ?             ?      
1 1 1 47 13 30 o 1.074000       1.091000      ?             ?      
1 1 1 47 13 31 o -2.133000      1.133000      ?             ?      
1 1 1 47 13 32 o 1.113000       1.152000      ?             ?      
1 1 1 47 13 33 o 1.073000       1.343000      ?             ?      
1 1 1 47 13 34 o 1.609000       1.015000      ?             ?      
1 1 1 47 13 35 o -1.019000      0.9344000     ?             ?      
1 1 1 47 13 36 o -0.4663000     0.9421000     ?             ?      
1 1 1 47 13 37 o 0.6729000      1.095000      ?             ?      
1 1 1 47 13 38 o -0.2580000     1.200000      ?             ?      
1 1 1 47 13 39 o 1.397000       2.830000      ?             ?      
1 1 1 47 14 0  o -0.2364000     1.223000      ?             ?      
1 1 1 47 14 1  o -0.7612000E-01 0.9076000     ?             ?      
1 1 1 47 14 2  o -0.8737000     0.9764000     ?             ?      
1 1 1 47 14 3  o 0.7564000      0.8766000     ?             ?      
1 1 1 47 14 4  o -0.6367000     0.8268000     ?             ?      
1 1 1 47 14 5  o -0.2538000     0.8421000     ?             ?      
1 1 1 47 14 6  o -0.9061000     0.8516000     ?             ?      
1 1 1 47 14 7  o -0.1365000     0.8565000     ?             ?      
1 1 1 47 14 8  o 0.3914000      0.8306000     ?             ?      
1 1 1 47 14 9  f -0.1311000     0.8336000     ?             ?      
1 1 1 47 14 10 o 0.6808000      0.8436000     ?             ?      
1 1 1 47 14 11 o -0.6779000     0.8655000     ?             ?      
1 1 1 47 14 12 o 1.146000       0.9962000     ?             ?      
1 1 1 47 14 13 o 0.2847000      1.018000      ?             ?      
1 1 1 47 14 14 o 0.3036000      1.032000      ?             ?      
1 1 1 47 14 15 o -0.6020000     1.034000      ?             ?      
1 1 1 47 14 16 o -0.9720000     1.010000      ?             ?      
1 1 1 47 14 17 o -0.5024000E-01 1.106000      ?             ?      
1 1 1 47 14 18 o -0.4590000     1.046000      ?             ?      
1 1 1 47 14 19 o 0.8368000      1.047000      ?             ?      
1 1 1 47 14 20 o -0.4397000     1.024000      ?             ?      
1 1 1 47 14 21 o -1.068000      1.004000      ?             ?      
1 1 1 47 14 22 o -0.1384000     1.002000      ?             ?      
1 1 1 47 14 23 o -0.7922000     1.003000      ?             ?      
1 1 1 47 14 24 o 1.015000       1.010000      ?             ?      
1 1 1 47 14 25 o 0.1974000      1.004000      ?             ?      
1 1 1 47 14 26 o 0.1326000      1.007000      ?             ?      
1 1 1 47 14 27 f 0.2020000      1.004000      ?             ?      
1 1 1 47 14 28 f -1.416000      1.020000      ?             ?      
1 1 1 47 14 29 o 0.8108000      1.225000      ?             ?      
1 1 1 47 14 30 o 0.4591000      1.140000      ?             ?      
1 1 1 47 14 31 o 0.3088000      1.157000      ?             ?      
1 1 1 47 14 32 o -0.2540000     1.093000      ?             ?      
1 1 1 47 14 33 o -0.9745000     1.021000      ?             ?      
1 1 1 47 14 34 o -0.9894000     0.9810000     ?             ?      
1 1 1 47 14 35 o -0.6341000     0.9426000     ?             ?      
1 1 1 47 14 36 o 1.133000       0.9483000     ?             ?      
1 1 1 47 14 37 o 0.5932000      1.166000      ?             ?      
1 1 1 47 14 38 o -0.7705000     1.198000      ?             ?      
1 1 1 47 15 0  o -1.206000      1.208000      ?             ?      
1 1 1 47 15 1  o 1.904000       0.8588000     ?             ?      
1 1 1 47 15 2  o -0.4680000     0.8283000     ?             ?      
1 1 1 47 15 3  o 0.1377000E-01  0.9004000     ?             ?      
1 1 1 47 15 4  o 0.1676000      0.9799000     ?             ?      
1 1 1 47 15 5  o -1.664000      0.8821000     ?             ?      
1 1 1 47 15 6  o 0.2904000      0.8867000     ?             ?      
1 1 1 47 15 7  o 0.2150000      0.8400000     ?             ?      
1 1 1 47 15 8  o -0.1599000     0.8626000     ?             ?      
1 1 1 47 15 9  o -1.055000      0.8575000     ?             ?      
1 1 1 47 15 10 o -0.1989000     0.8880000     ?             ?      
1 1 1 47 15 11 o -0.6481000     0.9873000     ?             ?      
1 1 1 47 15 12 o 0.5567000      1.021000      ?             ?      
1 1 1 47 15 13 o -1.460000      0.9863000     ?             ?      
1 1 1 47 15 14 o -0.9712000     1.064000      ?             ?      
1 1 1 47 15 15 o -1.151000      1.079000      ?             ?      
1 1 1 47 15 16 o 0.1238000      1.009000      ?             ?      
1 1 1 47 15 17 o -0.1834000     1.015000      ?             ?      
1 1 1 47 15 18 o 0.6751000      1.026000      ?             ?      
1 1 1 47 15 19 o 0.2442000      1.051000      ?             ?      
1 1 1 47 15 20 o -0.9112000E-01 1.018000      ?             ?      
1 1 1 47 15 21 o 0.7905000      1.027000      ?             ?      
1 1 1 47 15 22 o -0.1121000     1.011000      ?             ?      
1 1 1 47 15 23 o -0.4364000     1.024000      ?             ?      
1 1 1 47 15 24 o -0.4388000     1.022000      ?             ?      
1 1 1 47 15 25 o -0.6975000E-01 1.030000      ?             ?      
1 1 1 47 15 26 o -0.8471000     1.018000      ?             ?      
1 1 1 47 15 27 o 0.1021000      1.037000      ?             ?      
1 1 1 47 15 28 o -1.094000      1.101000      ?             ?      
1 1 1 47 15 29 o -1.253000      1.407000      ?             ?      
1 1 1 47 15 30 o 0.7842000      1.183000      ?             ?      
1 1 1 47 15 31 o -0.4971000     1.218000      ?             ?      
1 1 1 47 15 32 o -1.626000      1.029000      ?             ?      
1 1 1 47 15 33 o -0.2662000     1.036000      ?             ?      
1 1 1 47 15 34 o 0.3149000      0.9498000     ?             ?      
1 1 1 47 15 35 o 1.602000       0.9600000     ?             ?      
1 1 1 47 15 36 f -0.8275000     0.9552000     ?             ?      
1 1 1 47 15 37 o 0.8409000      1.206000      ?             ?      
1 1 1 47 15 38 o 1.859000       2.883000      ?             ?      
1 1 1 47 16 0  o 0.1210000      1.211000      ?             ?      
1 1 1 47 16 1  o 0.2565000      0.8452000     ?             ?      
1 1 1 47 16 2  o -0.1282000     0.8431000     ?             ?      
1 1 1 47 16 3  o -0.7337000     0.8219000     ?             ?      
1 1 1 47 16 4  o -1.257000      0.8312000     ?             ?      
1 1 1 47 16 5  o 1.455000       0.8417000     ?             ?      
1 1 1 47 16 6  o 1.571000       0.9246000     ?             ?      
1 1 1 47 16 7  o -0.6763000     1.039000      ?             ?      
1 1 1 47 16 8  o -1.189000      0.9351000     ?             ?      
1 1 1 47 16 9  o -1.007000      0.9155000     ?             ?      
1 1 1 47 16 10 o -1.521000      0.9063000     ?             ?      
1 1 1 47 16 11 o -1.545000      1.028000      ?             ?      
1 1 1 47 16 12 o 0.6573000      0.9972000     ?             ?      
1 1 1 47 16 13 o -0.6646000     0.9971000     ?             ?      
1 1 1 47 16 14 o -0.7716000E-01 0.9989000     ?             ?      
1 1 1 47 16 15 o -0.5210000E-01 0.9995000     ?             ?      
1 1 1 47 16 16 o 0.7530000      1.013000      ?             ?      
1 1 1 47 16 17 o -0.3472000     1.021000      ?             ?      
1 1 1 47 16 18 o -0.3492000     1.042000      ?             ?      
1 1 1 47 16 19 o 0.1029000E-01  1.017000      ?             ?      
1 1 1 47 16 20 o 0.9248000      1.020000      ?             ?      
1 1 1 47 16 21 o 2.101000       1.031000      ?             ?      
1 1 1 47 16 22 o 2.512000       1.031000      ?             ?      
1 1 1 47 16 23 o 0.5784000E-01  1.034000      ?             ?      
1 1 1 47 16 24 o 0.5169000      1.032000      ?             ?      
1 1 1 47 16 25 o -0.5634000     1.029000      ?             ?      
1 1 1 47 16 26 o -0.7703000E-01 1.037000      ?             ?      
1 1 1 47 16 27 o 0.5818000      1.040000      ?             ?      
1 1 1 47 16 28 o -0.6916000E-01 1.117000      ?             ?      
1 1 1 47 16 29 o 0.5899000      1.287000      ?             ?      
1 1 1 47 16 30 o -1.026000      1.404000      ?             ?      
1 1 1 47 16 31 o -0.6626000     1.131000      ?             ?      
1 1 1 47 16 32 o -0.8109000     1.026000      ?             ?      
1 1 1 47 16 33 o 0.2573000      1.003000      ?             ?      
1 1 1 47 16 34 o -0.8012000     0.9517000     ?             ?      
1 1 1 47 16 35 o 0.1908000      0.9573000     ?             ?      
1 1 1 47 16 36 o -0.2529000     0.9930000     ?             ?      
1 1 1 47 16 37 o -0.8692000     1.300000      ?             ?      
1 1 1 47 17 0  o 1.485000       1.203000      ?             ?      
1 1 1 47 17 1  o -0.8011000     0.8382000     ?             ?      
1 1 1 47 17 2  o 0.4837000      0.8426000     ?             ?      
1 1 1 47 17 3  o 0.2821000      0.8373000     ?             ?      
1 1 1 47 17 4  o -0.9202000     0.8307000     ?             ?      
1 1 1 47 17 5  o -1.266000      0.8729000     ?             ?      
1 1 1 47 17 6  o -1.047000      0.9290000     ?             ?      
1 1 1 47 17 7  o -0.4099000     0.9229000     ?             ?      
1 1 1 47 17 8  o 0.6528000      0.8433000     ?             ?      
1 1 1 47 17 9  o -0.4976000     0.9884000     ?             ?      
1 1 1 47 17 10 o -0.8405000     1.114000      ?             ?      
1 1 1 47 17 11 o -1.022000      1.013000      ?             ?      
1 1 1 47 17 12 o -0.2303000E-01 0.9271000     ?             ?      
1 1 1 47 17 13 o -0.1148000     0.9826000     ?             ?      
1 1 1 47 17 14 o 0.7783000      1.034000      ?             ?      
1 1 1 47 17 15 o 0.2071000      0.9959000     ?             ?      
1 1 1 47 17 16 o -0.6183000     1.008000      ?             ?      
1 1 1 47 17 17 o 1.078000       1.015000      ?             ?      
1 1 1 47 17 18 o 0.4946000      1.033000      ?             ?      
1 1 1 47 17 19 o -0.1462000     1.020000      ?             ?      
1 1 1 47 17 20 o 0.4104000      1.033000      ?             ?      
1 1 1 47 17 21 o -0.3926000     1.042000      ?             ?      
1 1 1 47 17 22 o 0.7224000      1.037000      ?             ?      
1 1 1 47 17 23 o -0.3422000     1.044000      ?             ?      
1 1 1 47 17 24 o 0.6074000E-01  1.050000      ?             ?      
1 1 1 47 17 25 o 2.321000       1.048000      ?             ?      
1 1 1 47 17 26 o -1.790000      1.039000      ?             ?      
1 1 1 47 17 27 o 0.4216000      1.131000      ?             ?      
1 1 1 47 17 28 o -0.5123000     1.311000      ?             ?      
1 1 1 47 17 29 o 1.542000       1.293000      ?             ?      
1 1 1 47 17 30 o -1.286000      1.215000      ?             ?      
1 1 1 47 17 31 o 0.2999000      1.212000      ?             ?      
1 1 1 47 17 32 o 0.8179000E-01  1.075000      ?             ?      
1 1 1 47 17 33 o 0.7553000      0.9678000     ?             ?      
1 1 1 47 17 34 o 1.536000       0.9555000     ?             ?      
1 1 1 47 17 35 o -0.1175000E-01 0.9588000     ?             ?      
1 1 1 47 17 36 o 0.7963000E-02  1.034000      ?             ?      
1 1 1 47 18 0  o 0.2589000      1.194000      ?             ?      
1 1 1 47 18 1  o -0.6147000     0.8430000     ?             ?      
1 1 1 47 18 2  o -0.4026000     0.8848000     ?             ?      
1 1 1 47 18 3  o -1.370000      0.8812000     ?             ?      
1 1 1 47 18 4  o -1.383000      0.9208000     ?             ?      
1 1 1 47 18 5  o -0.6737000     0.9191000     ?             ?      
1 1 1 47 18 6  o -1.237000      0.8587000     ?             ?      
1 1 1 47 18 7  o 0.8850000      0.8764000     ?             ?      
1 1 1 47 18 8  o 0.2212000      0.8348000     ?             ?      
1 1 1 47 18 9  o 0.5467000      0.8366000     ?             ?      
1 1 1 47 18 10 o -0.1034000     0.9429000     ?             ?      
1 1 1 47 18 11 o -0.3888000     0.9173000     ?             ?      
1 1 1 47 18 12 o 0.4411000      0.9261000     ?             ?      
1 1 1 47 18 13 o -2.527000      1.132000      ?             ?      
1 1 1 47 18 14 o -1.275000      1.151000      ?             ?      
1 1 1 47 18 15 o -1.483000      1.018000      ?             ?      
1 1 1 47 18 16 o 1.843000       1.043000      ?             ?      
1 1 1 47 18 17 o -0.2905000     1.076000      ?             ?      
1 1 1 47 18 18 o -0.6587000     1.023000      ?             ?      
1 1 1 47 18 19 o 0.5246000      1.027000      ?             ?      
1 1 1 47 18 20 o 0.7704000      1.031000      ?             ?      
1 1 1 47 18 21 o -0.6620000     1.034000      ?             ?      
1 1 1 47 18 22 o -0.5508000     1.047000      ?             ?      
1 1 1 47 18 23 o -1.384000      1.044000      ?             ?      
1 1 1 47 18 24 o -1.978000      1.059000      ?             ?      
1 1 1 47 18 25 f 0.1254000      1.049000      ?             ?      
1 1 1 47 18 26 o -0.4417000     1.143000      ?             ?      
1 1 1 47 18 27 o -1.736000      1.265000      ?             ?      
1 1 1 47 18 28 o 1.352000       1.303000      ?             ?      
1 1 1 47 18 29 o 0.4738000      1.209000      ?             ?      
1 1 1 47 18 30 o -0.4623000     1.182000      ?             ?      
1 1 1 47 18 31 o -0.8971000     1.187000      ?             ?      
1 1 1 47 18 32 f -0.8530000     1.184000      ?             ?      
1 1 1 47 18 33 o -0.1683000     0.9899000     ?             ?      
1 1 1 47 18 34 o -0.8014000     0.9534000     ?             ?      
1 1 1 47 18 35 o 0.1055000      1.005000      ?             ?      
1 1 1 47 18 36 o 0.1535000      2.117000      ?             ?      
1 1 1 47 19 0  o -0.4446000     1.295000      ?             ?      
1 1 1 47 19 1  o -1.064000      0.9786000     ?             ?      
1 1 1 47 19 2  o 0.2859000E-01  0.9441000     ?             ?      
1 1 1 47 19 3  o -0.8244000     0.8563000     ?             ?      
1 1 1 47 19 4  o 0.3742000      0.8566000     ?             ?      
1 1 1 47 19 5  o 0.5472000      0.8436000     ?             ?      
1 1 1 47 19 6  o -0.2733000     0.8414000     ?             ?      
1 1 1 47 19 7  o -0.6069000     0.8511000     ?             ?      
1 1 1 47 19 8  o 0.4779000E-01  0.8341000     ?             ?      
1 1 1 47 19 9  o 0.2161000      0.8404000     ?             ?      
1 1 1 47 19 10 o 0.3835000      0.9440000     ?             ?      
1 1 1 47 19 11 o 0.1433000      0.9194000     ?             ?      
1 1 1 47 19 12 o -0.4204000     0.9249000     ?             ?      
1 1 1 47 19 13 o -0.7498000     0.9872000     ?             ?      
1 1 1 47 19 14 o 0.2676000      1.005000      ?             ?      
1 1 1 47 19 15 o -0.5965000     1.020000      ?             ?      
1 1 1 47 19 16 o -1.475000      1.176000      ?             ?      
1 1 1 47 19 17 o 0.9501000      1.195000      ?             ?      
1 1 1 47 19 18 o -0.6916000     1.029000      ?             ?      
1 1 1 47 19 19 o 0.7580000      1.179000      ?             ?      
1 1 1 47 19 20 o -1.128000      1.071000      ?             ?      
1 1 1 47 19 21 o 0.2265000      1.049000      ?             ?      
1 1 1 47 19 22 o -0.7941000     1.056000      ?             ?      
1 1 1 47 19 23 o 0.4399000      1.062000      ?             ?      
1 1 1 47 19 24 o -0.1198000     1.063000      ?             ?      
1 1 1 47 19 25 o 1.035000       1.088000      ?             ?      
1 1 1 47 19 26 o -1.483000      1.172000      ?             ?      
1 1 1 47 19 27 o 0.3271000      1.341000      ?             ?      
1 1 1 47 19 28 o -1.500000      1.342000      ?             ?      
1 1 1 47 19 29 o 3.999000       2.062000      ?             ?      
1 1 1 47 19 30 o 0.1883000      1.173000      ?             ?      
1 1 1 47 19 31 o 0.7753000      1.167000      ?             ?      
1 1 1 47 19 32 o 1.121000       1.178000      ?             ?      
1 1 1 47 19 33 o -1.332000      1.084000      ?             ?      
1 1 1 47 19 34 o -0.9173000     1.023000      ?             ?      
1 1 1 47 19 35 o 0.6911000      1.183000      ?             ?      
1 1 1 47 20 0  o -2.986000      1.205000      ?             ?      
1 1 1 47 20 1  o 1.220000       0.9500000     ?             ?      
1 1 1 47 20 2  o -1.145000      0.8574000     ?             ?      
1 1 1 47 20 3  o 0.2048000      0.8946000     ?             ?      
1 1 1 47 20 4  o 0.2785000      0.8899000     ?             ?      
1 1 1 47 20 5  o 0.1293000      0.8572000     ?             ?      
1 1 1 47 20 6  o -0.8643000E-01 0.8427000     ?             ?      
1 1 1 47 20 7  o 0.7733000E-01  0.8380000     ?             ?      
1 1 1 47 20 8  o -0.2020000     0.8274000     ?             ?      
1 1 1 47 20 9  o -0.5044000     0.8496000     ?             ?      
1 1 1 47 20 10 o -0.6643000     0.9291000     ?             ?      
1 1 1 47 20 11 o -1.048000      0.9188000     ?             ?      
1 1 1 47 20 12 o -0.4772000     0.9339000     ?             ?      
1 1 1 47 20 13 o -0.5076000     0.9399000     ?             ?      
1 1 1 47 20 14 o 0.6060000      1.017000      ?             ?      
1 1 1 47 20 15 o -1.361000      1.018000      ?             ?      
1 1 1 47 20 16 o 0.4135000      1.031000      ?             ?      
1 1 1 47 20 17 o -0.8323000E-01 1.032000      ?             ?      
1 1 1 47 20 18 o -0.3669000     1.053000      ?             ?      
1 1 1 47 20 19 o 1.127000       1.216000      ?             ?      
1 1 1 47 20 20 o -2.155000      1.220000      ?             ?      
1 1 1 47 20 21 o 1.098000       1.060000      ?             ?      
1 1 1 47 20 22 o 0.1268000      1.097000      ?             ?      
1 1 1 47 20 23 o 1.809000       1.134000      ?             ?      
1 1 1 47 20 24 o 0.6336000E-01  1.087000      ?             ?      
1 1 1 47 20 25 o 0.8512000E-01  1.199000      ?             ?      
1 1 1 47 20 26 o -0.2925000     1.335000      ?             ?      
1 1 1 47 20 27 o 0.2349000E-01  1.360000      ?             ?      
1 1 1 47 20 28 o -0.1937000     1.241000      ?             ?      
1 1 1 47 20 29 o -1.347000      2.161000      ?             ?      
1 1 1 47 20 30 o 0.1121000      1.192000      ?             ?      
1 1 1 47 20 31 o -0.6520000     1.184000      ?             ?      
1 1 1 47 20 32 o 0.4866000E-01  1.076000      ?             ?      
1 1 1 47 20 33 o 0.1173000      1.063000      ?             ?      
1 1 1 47 20 34 o -1.624000      1.542000      ?             ?      
1 1 1 47 21 0  o 0.5422000      1.206000      ?             ?      
1 1 1 47 21 1  o -1.622000      0.8407000     ?             ?      
1 1 1 47 21 2  o -0.3777000     0.8479000     ?             ?      
1 1 1 47 21 3  o -0.1071000     0.9511000     ?             ?      
1 1 1 47 21 4  o -0.6000000     0.9466000     ?             ?      
1 1 1 47 21 5  o -0.2673000     0.8984000     ?             ?      
1 1 1 47 21 6  o 0.3369000      0.8855000     ?             ?      
1 1 1 47 21 7  o -1.373000      0.8408000     ?             ?      
1 1 1 47 21 8  o -0.6593000     0.8358000     ?             ?      
1 1 1 47 21 9  o 0.2524000      0.9496000     ?             ?      
1 1 1 47 21 10 o -0.3947000     0.9358000     ?             ?      
1 1 1 47 21 11 o -0.3443000     0.9292000     ?             ?      
1 1 1 47 21 12 o -0.1200000     0.9403000     ?             ?      
1 1 1 47 21 13 o 0.3092000      0.9548000     ?             ?      
1 1 1 47 21 14 o 1.678000       1.008000      ?             ?      
1 1 1 47 21 15 o -0.7220000     1.049000      ?             ?      
1 1 1 47 21 16 o -0.3075000     1.027000      ?             ?      
1 1 1 47 21 17 o 0.4238000      1.032000      ?             ?      
1 1 1 47 21 18 o -0.9397000     1.028000      ?             ?      
1 1 1 47 21 19 o 1.380000       1.063000      ?             ?      
1 1 1 47 21 20 o -0.4977000     1.060000      ?             ?      
1 1 1 47 21 21 o -0.5486000     1.106000      ?             ?      
1 1 1 47 21 22 o -0.9584000     1.246000      ?             ?      
1 1 1 47 21 23 o -0.3091000E-01 1.287000      ?             ?      
1 1 1 47 21 24 o -1.200000      1.269000      ?             ?      
1 1 1 47 21 25 o -0.8854000     1.432000      ?             ?      
1 1 1 47 21 26 o -1.051000      1.408000      ?             ?      
1 1 1 47 21 27 o 0.4084000E-01  1.258000      ?             ?      
1 1 1 47 21 28 o -0.7692000     1.179000      ?             ?      
1 1 1 47 21 29 o -2.427000      1.211000      ?             ?      
1 1 1 47 21 30 o 0.6164000      1.205000      ?             ?      
1 1 1 47 21 31 o -0.1704000     1.202000      ?             ?      
1 1 1 47 21 32 o -0.4975000     1.075000      ?             ?      
1 1 1 47 21 33 o -0.2919000     2.826000      ?             ?      
1 1 1 47 21 34 < 0.000000       -1.000000     ?             ?      
1 1 1 47 22 0  o -0.8161000     1.195000      ?             ?      
1 1 1 47 22 1  o -0.4426000     0.9672000     ?             ?      
1 1 1 47 22 2  o 0.1670000      0.8553000     ?             ?      
1 1 1 47 22 3  o -1.064000      0.8621000     ?             ?      
1 1 1 47 22 4  o -0.9161000E-01 0.8691000     ?             ?      
1 1 1 47 22 5  o -1.762000      0.8578000     ?             ?      
1 1 1 47 22 6  o 0.2926000E-01  0.9331000     ?             ?      
1 1 1 47 22 7  o 1.110000       0.9122000     ?             ?      
1 1 1 47 22 8  o -0.8304000     0.9657000     ?             ?      
1 1 1 47 22 9  o -0.9638000     1.019000      ?             ?      
1 1 1 47 22 10 o 0.3559000      0.9379000     ?             ?      
1 1 1 47 22 11 o -0.8641000     0.9455000     ?             ?      
1 1 1 47 22 12 o -0.4709000E-01 0.9397000     ?             ?      
1 1 1 47 22 13 o 0.5453000      0.9521000     ?             ?      
1 1 1 47 22 14 o -0.5179000     1.033000      ?             ?      
1 1 1 47 22 15 o 3.221000       1.028000      ?             ?      
1 1 1 47 22 16 o 1.462000       1.035000      ?             ?      
1 1 1 47 22 17 o -1.190000      1.037000      ?             ?      
1 1 1 47 22 18 o 0.5637000      1.057000      ?             ?      
1 1 1 47 22 19 o -0.3256000     1.064000      ?             ?      
1 1 1 47 22 20 o 0.2711000      1.075000      ?             ?      
1 1 1 47 22 21 o -0.3600000     1.089000      ?             ?      
1 1 1 47 22 22 o -1.631000      1.095000      ?             ?      
1 1 1 47 22 23 o 0.2141000      1.228000      ?             ?      
1 1 1 47 22 24 o -0.2714000     1.999000      ?             ?      
1 1 1 47 22 25 o -1.484000      2.004000      ?             ?      
1 1 1 47 22 26 o 0.4886000      1.998000      ?             ?      
1 1 1 47 22 27 o -3.243000      1.993000      ?             ?      
1 1 1 47 22 28 o 0.7847000      1.200000      ?             ?      
1 1 1 47 22 29 o -0.8583000     1.230000      ?             ?      
1 1 1 47 22 30 o -1.450000      2.206000      ?             ?      
1 1 1 47 22 31 o -3.310000      1.900000      ?             ?      
1 1 1 47 22 32 o 3.063000       1.515000      ?             ?      
1 1 1 47 22 33 < 0.000000       -1.000000     ?             ?      
1 1 1 47 23 0  o 0.7554000      1.206000      ?             ?      
1 1 1 47 23 1  o 1.052000       0.8558000     ?             ?      
1 1 1 47 23 2  o 1.346000       0.8687000     ?             ?      
1 1 1 47 23 3  o 0.3867000      0.8676000     ?             ?      
1 1 1 47 23 4  o 0.2466000      0.8640000     ?             ?      
1 1 1 47 23 5  o -0.4316000     0.8538000     ?             ?      
1 1 1 47 23 6  o -0.3907000     0.8644000     ?             ?      
1 1 1 47 23 7  o -0.3779000     0.8611000     ?             ?      
1 1 1 47 23 8  o -0.4173000     0.8524000     ?             ?      
1 1 1 47 23 9  o -0.6257000     1.095000      ?             ?      
1 1 1 47 23 10 o -1.085000      1.089000      ?             ?      
1 1 1 47 23 11 o -0.2739000E-02 1.039000      ?             ?      
1 1 1 47 23 12 o 2.238000       1.036000      ?             ?      
1 1 1 47 23 13 o -1.167000      0.9719000     ?             ?      
1 1 1 47 23 14 o 0.3326000      1.018000      ?             ?      
1 1 1 47 23 15 o 0.6747000      1.025000      ?             ?      
1 1 1 47 23 16 o -0.1463000E-01 1.039000      ?             ?      
1 1 1 47 23 17 o -1.293000      1.044000      ?             ?      
1 1 1 47 23 18 o 0.2921000      1.054000      ?             ?      
1 1 1 47 23 19 o 1.612000       1.072000      ?             ?      
1 1 1 47 23 20 o 2.693000       1.092000      ?             ?      
1 1 1 47 23 21 o 0.5715000      1.098000      ?             ?      
1 1 1 47 23 22 o 1.622000       1.007000      ?             ?      
1 1 1 47 23 23 o -1.487000      1.242000      ?             ?      
1 1 1 47 23 24 o -1.666000      1.405000      ?             ?      
1 1 1 47 23 25 o 0.7127000      1.416000      ?             ?      
1 1 1 47 23 26 o 0.4149000      1.295000      ?             ?      
1 1 1 47 23 27 o -2.600000      1.335000      ?             ?      
1 1 1 47 23 28 o 1.203000       1.291000      ?             ?      
1 1 1 47 23 29 o 0.8823000      2.303000      ?             ?      
1 1 1 47 23 30 o 0.3652000      1.285000      ?             ?      
1 1 1 47 23 31 o -0.5922000     2.150000      ?             ?      
1 1 1 47 23 32 o 3.451000       1.912000      ?             ?      
1 1 1 47 24 0  o 1.574000       1.226000      ?             ?      
1 1 1 47 24 1  o -0.3268000     0.8577000     ?             ?      
1 1 1 47 24 2  o 0.4915000      0.8672000     ?             ?      
1 1 1 47 24 3  o -1.666000      0.8647000     ?             ?      
1 1 1 47 24 4  o 0.1375000E-01  0.8674000     ?             ?      
1 1 1 47 24 5  o -0.2552000     0.8692000     ?             ?      
1 1 1 47 24 6  o -0.9207000     0.8602000     ?             ?      
1 1 1 47 24 7  o -0.2396000     0.8736000     ?             ?      
1 1 1 47 24 8  o 0.7384000      0.8988000     ?             ?      
1 1 1 47 24 9  o 0.2229000      0.9426000     ?             ?      
1 1 1 47 24 10 o 0.3952000      0.9793000     ?             ?      
1 1 1 47 24 11 o 1.805000       1.006000      ?             ?      
1 1 1 47 24 12 o 0.5900000      1.106000      ?             ?      
1 1 1 47 24 13 o -1.287000      1.117000      ?             ?      
1 1 1 47 24 14 o 1.331000       1.150000      ?             ?      
1 1 1 47 24 15 o -1.573000      1.135000      ?             ?      
1 1 1 47 24 16 o 0.4450000      1.045000      ?             ?      
1 1 1 47 24 17 o -0.9391000     1.046000      ?             ?      
1 1 1 47 24 18 o 0.1063000      1.060000      ?             ?      
1 1 1 47 24 19 o -0.7009000     1.073000      ?             ?      
1 1 1 47 24 20 o -0.9343000     1.086000      ?             ?      
1 1 1 47 24 21 o 0.5785000      1.096000      ?             ?      
1 1 1 47 24 22 o 0.5038000      1.239000      ?             ?      
1 1 1 47 24 23 o 0.9837000      1.443000      ?             ?      
1 1 1 47 24 24 o 0.7690000      1.481000      ?             ?      
1 1 1 47 24 25 o -1.417000      1.305000      ?             ?      
1 1 1 47 24 26 o 0.1544000      1.333000      ?             ?      
1 1 1 47 24 27 o -0.5986000     1.220000      ?             ?      
1 1 1 47 24 28 o 0.5651000      1.313000      ?             ?      
1 1 1 47 24 29 o -0.6199000     1.294000      ?             ?      
1 1 1 47 24 30 o -1.305000      1.458000      ?             ?      
1 1 1 47 24 31 o -0.9210000     2.305000      ?             ?      
1 1 1 47 25 0  o -1.073000      1.218000      ?             ?      
1 1 1 47 25 1  o -0.8205000     0.8598000     ?             ?      
1 1 1 47 25 2  o 1.252000       0.8678000     ?             ?      
1 1 1 47 25 3  o 0.6266000      0.8686000     ?             ?      
1 1 1 47 25 4  o 0.1075000      0.8705000     ?             ?      
1 1 1 47 25 5  o -0.5072000     0.9554000     ?             ?      
1 1 1 47 25 6  o -0.1842000     0.8728000     ?             ?      
1 1 1 47 25 7  o -2.459000      0.8722000     ?             ?      
1 1 1 47 25 8  o -0.3637000     1.020000      ?             ?      
1 1 1 47 25 9  o -0.8580000     0.9497000     ?             ?      
1 1 1 47 25 10 o 0.3039000      0.9571000     ?             ?      
1 1 1 47 25 11 o -1.147000      0.9692000     ?             ?      
1 1 1 47 25 12 o 0.4064000      1.080000      ?             ?      
1 1 1 47 25 13 o -0.8961000     0.9873000     ?             ?      
1 1 1 47 25 14 o 0.5430000      1.003000      ?             ?      
1 1 1 47 25 15 o -1.917000      1.188000      ?             ?      
1 1 1 47 25 16 o -0.3378000E-01 1.222000      ?             ?      
1 1 1 47 25 17 o -1.187000      1.185000      ?             ?      
1 1 1 47 25 18 o 0.3089000      1.182000      ?             ?      
1 1 1 47 25 19 o -0.3973000     1.078000      ?             ?      
1 1 1 47 25 20 o 1.046000       1.109000      ?             ?      
1 1 1 47 25 21 o -0.8956000     1.206000      ?             ?      
1 1 1 47 25 22 o -0.8280000     0.9908000     ?             ?      
1 1 1 47 25 23 o 0.7984000E-01  1.458000      ?             ?      
1 1 1 47 25 24 o -0.4092000     1.286000      ?             ?      
1 1 1 47 25 25 o 0.9593000      1.217000      ?             ?      
1 1 1 47 25 26 o -0.2526000     1.203000      ?             ?      
1 1 1 47 25 27 o -0.4203000     1.309000      ?             ?      
1 1 1 47 25 28 o -0.9299000     1.312000      ?             ?      
1 1 1 47 25 29 o -0.5565000     2.144000      ?             ?      
1 1 1 47 25 30 < 0.000000       -1.000000     ?             ?      
1 1 1 47 26 0  o 0.1024000      1.225000      ?             ?      
1 1 1 47 26 1  o -0.8998000E-01 0.8688000     ?             ?      
1 1 1 47 26 2  o 0.8107000      0.8699000     ?             ?      
1 1 1 47 26 3  o -0.2106000     0.8661000     ?             ?      
1 1 1 47 26 4  o -0.3946000     0.8760000     ?             ?      
1 1 1 47 26 5  o 1.815000       0.9609000     ?             ?      
1 1 1 47 26 6  o -0.4135000E-01 0.8781000     ?             ?      
1 1 1 47 26 7  o -0.4526000     0.8975000     ?             ?      
1 1 1 47 26 8  o 0.4504000      1.028000      ?             ?      
1 1 1 47 26 9  o -1.110000      1.006000      ?             ?      
1 1 1 47 26 10 o 0.7333000      0.9563000     ?             ?      
1 1 1 47 26 11 o -0.6257000E-01 0.9850000     ?             ?      
1 1 1 47 26 12 o -0.5395000     0.9634000     ?             ?      
1 1 1 47 26 13 o 0.7952000E-01  0.9711000     ?             ?      
1 1 1 47 26 14 o -0.5413000     0.9681000     ?             ?      
1 1 1 47 26 15 o 0.2287000      1.054000      ?             ?      
1 1 1 47 26 16 o -1.690000      1.083000      ?             ?      
1 1 1 47 26 17 o 0.4078000      1.095000      ?             ?      
1 1 1 47 26 18 o -0.6199000     1.235000      ?             ?      
1 1 1 47 26 19 o -0.1698000     1.266000      ?             ?      
1 1 1 47 26 20 o 1.083000       1.252000      ?             ?      
1 1 1 47 26 21 o 1.708000       1.485000      ?             ?      
1 1 1 47 26 22 o 0.5265000E-01  1.498000      ?             ?      
1 1 1 47 26 23 o -0.9138000     1.479000      ?             ?      
1 1 1 47 26 24 o 3.420000       2.062000      ?             ?      
1 1 1 47 26 25 o 1.268000       1.206000      ?             ?      
1 1 1 47 26 26 o -0.3244000     1.190000      ?             ?      
1 1 1 47 26 27 o 1.100000       1.552000      ?             ?      
1 1 1 47 26 28 o 1.756000       2.204000      ?             ?      
1 1 1 47 26 29 < 0.000000       -1.000000     ?             ?      
1 1 1 47 27 0  o -0.1501000     1.231000      ?             ?      
1 1 1 47 27 1  o -0.9695000     0.8737000     ?             ?      
1 1 1 47 27 2  o 0.7291000      0.8759000     ?             ?      
1 1 1 47 27 3  o -0.3027000     0.8744000     ?             ?      
1 1 1 47 27 4  o 0.7197000E-01  0.8885000     ?             ?      
1 1 1 47 27 5  o -0.7031000E-01 0.9339000     ?             ?      
1 1 1 47 27 6  o 1.068000       0.8813000     ?             ?      
1 1 1 47 27 7  o 1.054000       0.9154000     ?             ?      
1 1 1 47 27 8  o 0.8399000      1.013000      ?             ?      
1 1 1 47 27 9  o 0.5052000E-01  1.008000      ?             ?      
1 1 1 47 27 10 o -1.086000      1.032000      ?             ?      
1 1 1 47 27 11 o 0.1978000      0.9687000     ?             ?      
1 1 1 47 27 12 o 0.1201000E-01  0.9792000     ?             ?      
1 1 1 47 27 13 o 0.6188000      0.9825000     ?             ?      
1 1 1 47 27 14 o 1.157000       0.9950000     ?             ?      
1 1 1 47 27 15 o 1.581000       1.878000      ?             ?      
1 1 1 47 27 16 o -0.3305000     1.062000      ?             ?      
1 1 1 47 27 17 o 0.2301000      1.071000      ?             ?      
1 1 1 47 27 18 o -1.356000      1.085000      ?             ?      
1 1 1 47 27 19 o 0.9359000      1.139000      ?             ?      
1 1 1 47 27 20 o -1.202000      1.275000      ?             ?      
1 1 1 47 27 21 o 3.539000       1.491000      ?             ?      
1 1 1 47 27 22 o 0.4897000E-01  1.016000      ?             ?      
1 1 1 47 27 23 o -0.6024000     1.517000      ?             ?      
1 1 1 47 27 24 o -1.491000      2.364000      ?             ?      
1 1 1 47 27 25 o -0.8276000     1.228000      ?             ?      
1 1 1 47 27 26 o 1.549000       2.185000      ?             ?      
1 1 1 47 27 27 o 1.547000       2.215000      ?             ?      
1 1 1 47 28 0  o -1.431000      1.240000      ?             ?      
1 1 1 47 28 1  o 0.6815000      0.8886000     ?             ?      
1 1 1 47 28 2  o -1.564000      0.8970000     ?             ?      
1 1 1 47 28 3  o 1.124000       0.8978000     ?             ?      
1 1 1 47 28 4  o -0.8489000     0.9008000     ?             ?      
1 1 1 47 28 5  o 0.3653000      0.8969000     ?             ?      
1 1 1 47 28 6  o 0.9957000      0.9328000     ?             ?      
1 1 1 47 28 7  o 0.3420000E-01  1.037000      ?             ?      
1 1 1 47 28 8  o 1.590000       1.015000      ?             ?      
1 1 1 47 28 9  o -0.5589000     1.023000      ?             ?      
1 1 1 47 28 10 o -0.7728000     1.008000      ?             ?      
1 1 1 47 28 11 o -0.9252000     1.021000      ?             ?      
1 1 1 47 28 12 o -1.864000      0.9710000     ?             ?      
1 1 1 47 28 13 o 1.038000       0.9907000     ?             ?      
1 1 1 47 28 14 o -0.3499000     0.9935000     ?             ?      
1 1 1 47 28 15 o 0.8277000      1.078000      ?             ?      
1 1 1 47 28 16 o 0.2357000      1.067000      ?             ?      
1 1 1 47 28 17 o -0.7912000E-02 1.086000      ?             ?      
1 1 1 47 28 18 o 0.1981000      1.107000      ?             ?      
1 1 1 47 28 19 o -0.6823000     1.236000      ?             ?      
1 1 1 47 28 20 o -0.7898000     1.469000      ?             ?      
1 1 1 47 28 21 o -0.7501000E-01 1.479000      ?             ?      
1 1 1 47 28 22 o -0.1236000     1.303000      ?             ?      
1 1 1 47 28 23 o -0.7202000     1.240000      ?             ?      
1 1 1 47 28 24 o -1.558000      1.364000      ?             ?      
1 1 1 47 28 25 o -2.253000      1.606000      ?             ?      
1 1 1 47 28 26 o -1.869000      1.406000      ?             ?      
1 1 1 47 29 0  o 2.787000       1.298000      ?             ?      
1 1 1 47 29 1  o -1.572000      0.9119000     ?             ?      
1 1 1 47 29 2  o 0.3589000      0.9027000     ?             ?      
1 1 1 47 29 3  o 0.8727000      0.9092000     ?             ?      
1 1 1 47 29 4  o 1.231000       0.9928000     ?             ?      
1 1 1 47 29 5  o 0.3339000      0.9047000     ?             ?      
1 1 1 47 29 6  o -0.4182000     0.9041000     ?             ?      
1 1 1 47 29 7  o -0.8248000     1.070000      ?             ?      
1 1 1 47 29 8  o 1.535000       1.027000      ?             ?      
1 1 1 47 29 9  o 0.6870000      1.025000      ?             ?      
1 1 1 47 29 10 o -0.6642000E-01 1.017000      ?             ?      
1 1 1 47 29 11 o -0.8223000     1.028000      ?             ?      
1 1 1 47 29 12 o -0.2825000     1.046000      ?             ?      
1 1 1 47 29 13 o 0.1946000E-01  0.9981000     ?             ?      
1 1 1 47 29 14 o 0.1061000      1.005000      ?             ?      
1 1 1 47 29 15 o 1.455000       1.097000      ?             ?      
1 1 1 47 29 16 o 1.713000       1.943000      ?             ?      
1 1 1 47 29 17 o -0.3379000     1.113000      ?             ?      
1 1 1 47 29 18 o 0.9486000      1.223000      ?             ?      
1 1 1 47 29 19 o -1.565000      1.457000      ?             ?      
1 1 1 47 29 20 o 0.8910000      1.507000      ?             ?      
1 1 1 47 29 21 o -0.4473000     2.411000      ?             ?      
1 1 1 47 29 22 o -0.6736000     1.162000      ?             ?      
1 1 1 47 29 23 o 2.147000       1.574000      ?             ?      
1 1 1 47 29 24 o 1.962000       1.594000      ?             ?      
1 1 1 47 29 25 < 0.000000       -1.000000     ?             ?      
1 1 1 47 30 0  o 2.323000       1.320000      ?             ?      
1 1 1 47 30 1  o 1.787000       0.9277000     ?             ?      
1 1 1 47 30 2  o -1.384000      0.9254000     ?             ?      
1 1 1 47 30 3  o -0.4265000     0.9153000     ?             ?      
1 1 1 47 30 4  o 1.387000       0.9981000     ?             ?      
1 1 1 47 30 5  o 0.2715000      0.9139000     ?             ?      
1 1 1 47 30 6  o -0.3840000     0.9094000     ?             ?      
1 1 1 47 30 7  o 1.561000       1.059000      ?             ?      
1 1 1 47 30 8  o 1.003000       1.051000      ?             ?      
1 1 1 47 30 9  o -0.6190000E-01 1.026000      ?             ?      
1 1 1 47 30 10 o -0.5939000     1.036000      ?             ?      
1 1 1 47 30 11 o 0.7013000      1.044000      ?             ?      
1 1 1 47 30 12 o -0.1848000     1.055000      ?             ?      
1 1 1 47 30 13 o 1.099000       1.069000      ?             ?      
1 1 1 47 30 14 o 1.100000       1.020000      ?             ?      
1 1 1 47 30 15 o -0.4646000     1.091000      ?             ?      
1 1 1 47 30 16 o 1.342000       1.114000      ?             ?      
1 1 1 47 30 17 o -0.6245000     1.245000      ?             ?      
1 1 1 47 30 18 o 2.042000       1.552000      ?             ?      
1 1 1 47 30 19 o 0.1599000      1.540000      ?             ?      
1 1 1 47 30 20 o -1.557000      1.521000      ?             ?      
1 1 1 47 30 21 o 0.3104000      1.107000      ?             ?      
1 1 1 47 30 22 o 1.164000       1.327000      ?             ?      
1 1 1 47 30 23 o 1.482000       1.768000      ?             ?      
1 1 1 47 31 0  o 0.6691000      1.315000      ?             ?      
1 1 1 47 31 1  o -0.1420000     0.9313000     ?             ?      
1 1 1 47 31 2  o -0.6466000E-01 0.9220000     ?             ?      
1 1 1 47 31 3  o -0.1803000E-01 0.9205000     ?             ?      
1 1 1 47 31 4  o -1.330000      0.9990000     ?             ?      
1 1 1 47 31 5  o -0.2179000     0.9207000     ?             ?      
1 1 1 47 31 6  o -0.5734000     0.9339000     ?             ?      
1 1 1 47 31 7  o 1.787000       1.184000      ?             ?      
1 1 1 47 31 8  o 0.1662000      1.029000      ?             ?      
1 1 1 47 31 9  o -1.083000      1.051000      ?             ?      
1 1 1 47 31 10 o -0.7574000     1.039000      ?             ?      
1 1 1 47 31 11 o 1.091000       1.051000      ?             ?      
1 1 1 47 31 12 o 1.510000       1.071000      ?             ?      
1 1 1 47 31 13 o -0.3374000     1.082000      ?             ?      
1 1 1 47 31 14 o -1.550000      1.090000      ?             ?      
1 1 1 47 31 15 o -1.518000      1.111000      ?             ?      
1 1 1 47 31 16 o 0.2621000      1.235000      ?             ?      
1 1 1 47 31 17 o -0.4226000E-01 1.292000      ?             ?      
1 1 1 47 31 18 o -1.213000      1.549000      ?             ?      
1 1 1 47 31 19 o -0.7924000     2.008000      ?             ?      
1 1 1 47 31 20 o -1.587000      2.879000      ?             ?      
1 1 1 47 31 21 o 3.171000       2.265000      ?             ?      
1 1 1 47 32 0  o 1.109000       1.329000      ?             ?      
1 1 1 47 32 1  o 0.3116000      0.9415000     ?             ?      
1 1 1 47 32 2  f 0.5330000      0.9432000     ?             ?      
1 1 1 47 32 3  o 1.554000       0.9402000     ?             ?      
1 1 1 47 32 4  o -2.713000      1.384000      ?             ?      
1 1 1 47 32 5  o 0.6070000      0.9297000     ?             ?      
1 1 1 47 32 6  o 0.8564000      0.9984000     ?             ?      
1 1 1 47 32 7  o -0.1747000     1.040000      ?             ?      
1 1 1 47 32 8  o 0.9288000      1.085000      ?             ?      
1 1 1 47 32 9  o 0.1348000E-01  1.045000      ?             ?      
1 1 1 47 32 10 o 2.508000       1.087000      ?             ?      
1 1 1 47 32 11 o -0.6804000     1.065000      ?             ?      
1 1 1 47 32 12 o -0.1474000     1.068000      ?             ?      
1 1 1 47 32 13 o 0.7392000      1.093000      ?             ?      
1 1 1 47 32 14 o 0.6776000      1.103000      ?             ?      
1 1 1 47 32 15 o -2.670000      1.234000      ?             ?      
1 1 1 47 32 16 o 0.9354000E-01  1.281000      ?             ?      
1 1 1 47 32 17 o 3.190000       2.053000      ?             ?      
1 1 1 47 32 18 o -0.3013000E-01 1.977000      ?             ?      
1 1 1 47 32 19 < 0.000000       -1.000000     ?             ?      
1 1 1 47 33 0  o -1.005000      1.323000      ?             ?      
1 1 1 47 33 1  o 0.2741000      0.9412000     ?             ?      
1 1 1 47 33 2  o -0.1845000E-01 0.9425000     ?             ?      
1 1 1 47 33 3  o 1.364000       0.9519000     ?             ?      
1 1 1 47 33 4  o 0.6558000      0.9382000     ?             ?      
1 1 1 47 33 5  o -0.1795000     0.9761000     ?             ?      
1 1 1 47 33 6  o -1.108000      1.072000      ?             ?      
1 1 1 47 33 7  o -0.8191000E-01 1.115000      ?             ?      
1 1 1 47 33 8  o -0.7193000     1.036000      ?             ?      
1 1 1 47 33 9  o -1.557000      1.052000      ?             ?      
1 1 1 47 33 10 o 0.8504000      1.837000      ?             ?      
1 1 1 47 33 11 o 0.5777000      1.102000      ?             ?      
1 1 1 47 33 12 o -0.6758000E-02 1.090000      ?             ?      
1 1 1 47 33 13 o -1.505000      1.098000      ?             ?      
1 1 1 47 33 14 o 0.6194000      1.227000      ?             ?      
1 1 1 47 33 15 o 2.061000       1.976000      ?             ?      
1 1 1 47 33 16 o -0.9457000E-01 1.995000      ?             ?      
1 1 1 47 33 17 < 0.000000       -1.000000     ?             ?      
1 1 1 47 34 0  o -0.6914000     1.320000      ?             ?      
1 1 1 47 34 1  o -0.5692000     0.9440000     ?             ?      
1 1 1 47 34 2  o -0.8060000     0.9396000     ?             ?      
1 1 1 47 34 3  o 0.7652000E-01  1.019000      ?             ?      
1 1 1 47 34 4  o 0.9294000      0.9851000     ?             ?      
1 1 1 47 34 5  o 0.8944000      0.9469000     ?             ?      
1 1 1 47 34 6  o -1.864000      1.084000      ?             ?      
1 1 1 47 34 7  o -0.6610000     1.050000      ?             ?      
1 1 1 47 34 8  o -0.9970000E-01 1.051000      ?             ?      
1 1 1 47 34 9  o 0.1638000      1.062000      ?             ?      
1 1 1 47 34 10 o 1.271000       1.159000      ?             ?      
1 1 1 47 34 11 o 0.3339000      1.192000      ?             ?      
1 1 1 47 34 12 o -2.171000      1.501000      ?             ?      
1 1 1 47 34 13 o -2.358000      1.509000      ?             ?      
1 1 1 47 34 14 < 0.000000       -1.000000     ?             ?      
1 1 1 47 35 0  o 0.7575000      1.345000      ?             ?      
1 1 1 47 35 1  o 0.4673000      0.9536000     ?             ?      
1 1 1 47 35 2  o -0.5291000     0.9543000     ?             ?      
1 1 1 47 35 3  o -1.284000      1.111000      ?             ?      
1 1 1 47 35 4  o -0.3154000     0.9756000     ?             ?      
1 1 1 47 35 5  o 0.4004000      0.9913000     ?             ?      
1 1 1 47 35 6  o 1.419000       1.288000      ?             ?      
1 1 1 47 35 7  o 1.257000       1.191000      ?             ?      
1 1 1 47 35 8  o -0.3264000E-01 1.478000      ?             ?      
1 1 1 47 35 9  o -0.2974000     1.487000      ?             ?      
1 1 1 47 35 10 o 1.574000       1.787000      ?             ?      
1 1 1 47 35 11 < 0.000000       -1.000000     ?             ?      
1 1 1 47 36 0  o -0.9608000     1.749000      ?             ?      
1 1 1 47 36 1  o -3.513000      1.988000      ?             ?      
1 1 1 47 36 2  o 1.528000       1.556000      ?             ?      
1 1 1 47 36 3  o -0.5198000     1.688000      ?             ?      
1 1 1 47 36 4  o -0.8956000     2.329000      ?             ?      
1 1 1 47 36 5  o -0.5919000     2.331000      ?             ?      
1 1 1 48 0  0  o 0.4935000      1.549000      ?             ?      
1 1 1 48 0  1  o 1.736000       1.138000      ?             ?      
1 1 1 48 0  2  o -0.1180000     1.140000      ?             ?      
1 1 1 48 0  3  o -2.251000      1.129000      ?             ?      
1 1 1 48 0  4  o 0.4970000      1.134000      ?             ?      
1 1 1 48 0  5  o 0.9331000      1.163000      ?             ?      
1 1 1 48 0  6  o 0.2380000      1.167000      ?             ?      
1 1 1 48 0  7  o 0.5436000E-01  1.224000      ?             ?      
1 1 1 48 0  8  o 0.8394000      1.219000      ?             ?      
1 1 1 48 0  9  o -0.4389000     1.221000      ?             ?      
1 1 1 48 0  10 o 0.6480000      1.228000      ?             ?      
1 1 1 48 0  11 o 1.801000       1.236000      ?             ?      
1 1 1 48 0  12 o 1.887000       1.238000      ?             ?      
1 1 1 48 0  13 o -1.479000      1.251000      ?             ?      
1 1 1 48 0  14 o -2.067000      1.232000      ?             ?      
1 1 1 48 0  15 o -1.202000      1.244000      ?             ?      
1 1 1 48 0  16 o -0.5493000     1.245000      ?             ?      
1 1 1 48 0  17 o 0.4365000      1.258000      ?             ?      
1 1 1 48 0  18 o -1.427000      1.257000      ?             ?      
1 1 1 48 0  19 o -3.535000      1.334000      ?             ?      
1 1 1 48 0  20 o 2.438000       1.362000      ?             ?      
1 1 1 48 0  21 o 1.864000       1.293000      ?             ?      
1 1 1 48 0  22 o -1.265000      1.285000      ?             ?      
1 1 1 48 0  23 o 0.1316000      1.307000      ?             ?      
1 1 1 48 0  24 o -0.7328000     1.284000      ?             ?      
1 1 1 48 0  25 o -0.3733000     1.283000      ?             ?      
1 1 1 48 0  26 o -0.3746000     1.288000      ?             ?      
1 1 1 48 0  27 o 0.6734000E-01  1.293000      ?             ?      
1 1 1 48 0  28 o 0.6065000      1.271000      ?             ?      
1 1 1 48 0  29 o 0.5095000E-01  1.274000      ?             ?      
1 1 1 48 0  30 o -1.374000      1.304000      ?             ?      
1 1 1 48 0  31 o 1.071000       2.133000      ?             ?      
1 1 1 48 0  32 o 0.7343000      2.537000      ?             ?      
1 1 1 48 0  33 o -0.4839000     1.972000      ?             ?      
1 1 1 48 0  34 o -0.6965000     1.552000      ?             ?      
1 1 1 48 0  35 o -1.052000      1.550000      ?             ?      
1 1 1 48 0  36 o 0.2792000      1.690000      ?             ?      
1 1 1 48 0  37 o 1.171000       1.572000      ?             ?      
1 1 1 48 0  38 o -2.201000      1.551000      ?             ?      
1 1 1 48 0  39 o 6.296000       3.817000      ?             ?      
1 1 1 48 1  0  o -0.6653000     1.110000      ?             ?      
1 1 1 48 1  1  o 0.5488000E-01  0.7920000     ?             ?      
1 1 1 48 1  2  o 0.4815000      0.7993000     ?             ?      
1 1 1 48 1  3  o -0.8129000E-01 0.8025000     ?             ?      
1 1 1 48 1  4  o 0.5298000      0.8139000     ?             ?      
1 1 1 48 1  5  o 0.1930000      0.8259000     ?             ?      
1 1 1 48 1  6  o 0.9481000      0.8432000     ?             ?      
1 1 1 48 1  7  o -1.455000      0.8542000     ?             ?      
1 1 1 48 1  8  o -1.436000      0.8495000     ?             ?      
1 1 1 48 1  9  o 1.667000       0.8647000     ?             ?      
1 1 1 48 1  10 o -0.3364000     0.8728000     ?             ?      
1 1 1 48 1  11 o 1.103000       0.8686000     ?             ?      
1 1 1 48 1  12 o 0.6728000      0.8730000     ?             ?      
1 1 1 48 1  13 o -0.1427000     0.8756000     ?             ?      
1 1 1 48 1  14 o 0.6045000      0.8783000     ?             ?      
1 1 1 48 1  15 o 1.812000       0.8918000     ?             ?      
1 1 1 48 1  16 o 0.8204000      0.8900000     ?             ?      
1 1 1 48 1  17 o -0.8111000     0.8850000     ?             ?      
1 1 1 48 1  18 o -0.1307000     0.8997000     ?             ?      
1 1 1 48 1  19 o 2.397000       1.008000      ?             ?      
1 1 1 48 1  20 o -1.001000      1.001000      ?             ?      
1 1 1 48 1  21 o 0.9039000      0.9255000     ?             ?      
1 1 1 48 1  22 o -0.7045000     0.9208000     ?             ?      
1 1 1 48 1  23 o 1.373000       0.9246000     ?             ?      
1 1 1 48 1  24 o -0.8224000     0.9174000     ?             ?      
1 1 1 48 1  25 o -1.020000      0.9050000     ?             ?      
1 1 1 48 1  26 o -0.4292000     0.9079000     ?             ?      
1 1 1 48 1  27 o 0.1024000      0.9089000     ?             ?      
1 1 1 48 1  28 o 0.5116000      0.9082000     ?             ?      
1 1 1 48 1  29 o -0.1522000     0.9788000     ?             ?      
1 1 1 48 1  30 o -0.3208000     1.030000      ?             ?      
1 1 1 48 1  31 o 0.8489000      1.337000      ?             ?      
1 1 1 48 1  32 o 0.7795000      1.283000      ?             ?      
1 1 1 48 1  33 o -0.1055000     1.456000      ?             ?      
1 1 1 48 1  34 o 0.7452000E-02  1.206000      ?             ?      
1 1 1 48 1  35 o 0.1178000      1.158000      ?             ?      
1 1 1 48 1  36 o -0.8593000     1.125000      ?             ?      
1 1 1 48 1  37 o -2.275000      1.128000      ?             ?      
1 1 1 48 1  38 o -0.5843000     1.100000      ?             ?      
1 1 1 48 1  39 o 0.3638000      2.261000      ?             ?      
1 1 1 48 2  0  o 0.4864000      1.145000      ?             ?      
1 1 1 48 2  1  o 0.1970000      0.8006000     ?             ?      
1 1 1 48 2  2  o 0.1841000      0.8092000     ?             ?      
1 1 1 48 2  3  o 0.7288000      0.8067000     ?             ?      
1 1 1 48 2  4  o 1.338000       0.8197000     ?             ?      
1 1 1 48 2  5  o 0.4406000      0.8152000     ?             ?      
1 1 1 48 2  6  o 0.4852000      0.8379000     ?             ?      
1 1 1 48 2  7  o -0.1248000E-01 0.8345000     ?             ?      
1 1 1 48 2  8  o -0.9644000     0.8541000     ?             ?      
1 1 1 48 2  9  o 0.9060000      0.8602000     ?             ?      
1 1 1 48 2  10 o -0.6316000     0.8661000     ?             ?      
1 1 1 48 2  11 o 1.610000       0.8709000     ?             ?      
1 1 1 48 2  12 o 0.5347000      0.8851000     ?             ?      
1 1 1 48 2  13 o 0.3816000      0.8873000     ?             ?      
1 1 1 48 2  14 o -0.6793000     0.8919000     ?             ?      
1 1 1 48 2  15 o 0.4047000      0.8935000     ?             ?      
1 1 1 48 2  16 o -0.4065000E-01 0.8834000     ?             ?      
1 1 1 48 2  17 o -0.8974000     0.8882000     ?             ?      
1 1 1 48 2  18 o 0.6034000E-01  0.9969000     ?             ?      
1 1 1 48 2  19 o -2.333000      1.023000      ?             ?      
1 1 1 48 2  20 o -0.6732000     0.9720000     ?             ?      
1 1 1 48 2  21 o 0.1500000      0.9465000     ?             ?      
1 1 1 48 2  22 o -0.3370000     0.9277000     ?             ?      
1 1 1 48 2  23 o -2.252000      0.9068000     ?             ?      
1 1 1 48 2  24 o -0.4617000     0.9138000     ?             ?      
1 1 1 48 2  25 o 1.607000       0.9238000     ?             ?      
1 1 1 48 2  26 o 1.303000       0.9915000     ?             ?      
1 1 1 48 2  27 o 1.606000       1.005000      ?             ?      
1 1 1 48 2  28 o 1.011000       0.9458000     ?             ?      
1 1 1 48 2  29 o -0.2642000E-01 0.9355000     ?             ?      
1 1 1 48 2  30 o 0.8182000E-02  1.102000      ?             ?      
1 1 1 48 2  31 o -0.5045000     1.168000      ?             ?      
1 1 1 48 2  32 o -0.3953000     1.203000      ?             ?      
1 1 1 48 2  33 o 0.9425000      1.343000      ?             ?      
1 1 1 48 2  34 o -0.9750000     1.079000      ?             ?      
1 1 1 48 2  35 o 0.1016000      1.133000      ?             ?      
1 1 1 48 2  36 o -0.1612000     1.133000      ?             ?      
1 1 1 48 2  37 o 0.3671000E-02  1.096000      ?             ?      
1 1 1 48 2  38 o -2.081000      1.576000      ?             ?      
1 1 1 48 2  39 < 0.000000       -1.000000     ?             ?      
1 1 1 48 3  0  o 0.8174000      1.140000      ?             ?      
1 1 1 48 3  1  o 0.4072000      0.8010000     ?             ?      
1 1 1 48 3  2  o -0.1702000     0.7915000     ?             ?      
1 1 1 48 3  3  o -0.1835000     0.7985000     ?             ?      
1 1 1 48 3  4  o 0.5396000      0.8123000     ?             ?      
1 1 1 48 3  5  o -0.7529000     0.8228000     ?             ?      
1 1 1 48 3  6  o 0.2444000E-01  0.8302000     ?             ?      
1 1 1 48 3  7  o 0.5595000      0.8355000     ?             ?      
1 1 1 48 3  8  o 0.6149000      0.8614000     ?             ?      
1 1 1 48 3  9  o 0.5011000      0.8690000     ?             ?      
1 1 1 48 3  10 o -0.7704000     0.8671000     ?             ?      
1 1 1 48 3  11 o -0.6939000E-01 0.8764000     ?             ?      
1 1 1 48 3  12 o -0.2335000E-01 0.8788000     ?             ?      
1 1 1 48 3  13 o 1.186000       0.8921000     ?             ?      
1 1 1 48 3  14 o -0.5100000E-01 0.8878000     ?             ?      
1 1 1 48 3  15 o 0.1907000      0.8917000     ?             ?      
1 1 1 48 3  16 o -0.4406000     0.8916000     ?             ?      
1 1 1 48 3  17 o -0.5227000     0.9059000     ?             ?      
1 1 1 48 3  18 o 0.8970000      0.9789000     ?             ?      
1 1 1 48 3  19 o 0.1803000      0.9694000     ?             ?      
1 1 1 48 3  20 o -0.2565000     0.9716000     ?             ?      
1 1 1 48 3  21 o 1.092000       1.014000      ?             ?      
1 1 1 48 3  22 o 0.6191000      0.9425000     ?             ?      
1 1 1 48 3  23 o 0.6811000      0.9269000     ?             ?      
1 1 1 48 3  24 o 1.153000       1.008000      ?             ?      
1 1 1 48 3  25 o -0.5038000     1.030000      ?             ?      
1 1 1 48 3  26 o 1.289000       0.9922000     ?             ?      
1 1 1 48 3  27 o 0.9043000      0.9373000     ?             ?      
1 1 1 48 3  28 o -0.1876000     0.9089000     ?             ?      
1 1 1 48 3  29 o -0.9976000     0.9090000     ?             ?      
1 1 1 48 3  30 o -0.6830000     1.034000      ?             ?      
1 1 1 48 3  31 o -1.061000      1.058000      ?             ?      
1 1 1 48 3  32 o 0.7487000E-01  1.242000      ?             ?      
1 1 1 48 3  33 o 0.3055000      1.300000      ?             ?      
1 1 1 48 3  34 o -0.2558000     1.565000      ?             ?      
1 1 1 48 3  35 o 0.2647000      1.074000      ?             ?      
1 1 1 48 3  36 o 1.366000       1.137000      ?             ?      
1 1 1 48 3  37 o -1.213000      1.075000      ?             ?      
1 1 1 48 3  38 o 1.609000       1.042000      ?             ?      
1 1 1 48 3  39 o 7.357000       4.007000      ?             ?      
1 1 1 48 4  0  o 0.8064000      1.123000      ?             ?      
1 1 1 48 4  1  o 1.060000       0.7959000     ?             ?      
1 1 1 48 4  2  o 0.3029000      0.7906000     ?             ?      
1 1 1 48 4  3  o -1.216000      0.7988000     ?             ?      
1 1 1 48 4  4  o -0.2085000     0.8078000     ?             ?      
1 1 1 48 4  5  o 1.340000       0.8306000     ?             ?      
1 1 1 48 4  6  o 0.2758000      0.8263000     ?             ?      
1 1 1 48 4  7  o 0.5695000      0.8354000     ?             ?      
1 1 1 48 4  8  o 0.7877000      0.8450000     ?             ?      
1 1 1 48 4  9  o -1.235000      0.8640000     ?             ?      
1 1 1 48 4  10 o -0.1274000E-01 0.8682000     ?             ?      
1 1 1 48 4  11 o 0.5058000      0.8923000     ?             ?      
1 1 1 48 4  12 o 0.4899000      0.8964000     ?             ?      
1 1 1 48 4  13 o 0.5984000      0.9026000     ?             ?      
1 1 1 48 4  14 o -0.1736000     0.9046000     ?             ?      
1 1 1 48 4  15 o 0.5133000      0.8952000     ?             ?      
1 1 1 48 4  16 o 0.8511000      0.8916000     ?             ?      
1 1 1 48 4  17 o -0.5333000E-01 1.005000      ?             ?      
1 1 1 48 4  18 o 1.037000       0.9766000     ?             ?      
1 1 1 48 4  19 o 0.1886000      0.9732000     ?             ?      
1 1 1 48 4  20 o 0.1446000      0.9738000     ?             ?      
1 1 1 48 4  21 o -0.4717000     0.9729000     ?             ?      
1 1 1 48 4  22 o -1.031000      1.050000      ?             ?      
1 1 1 48 4  23 o 0.2092000      0.9752000     ?             ?      
1 1 1 48 4  24 o 0.6581000      0.9496000     ?             ?      
1 1 1 48 4  25 o -0.4229000E-01 0.9432000     ?             ?      
1 1 1 48 4  26 o 1.151000       0.9098000     ?             ?      
1 1 1 48 4  27 o -0.6527000E-01 0.9097000     ?             ?      
1 1 1 48 4  28 o 0.1745000      0.9095000     ?             ?      
1 1 1 48 4  29 o -0.2437000     0.9215000     ?             ?      
1 1 1 48 4  30 o -0.2607000     1.037000      ?             ?      
1 1 1 48 4  31 o 1.435000       1.057000      ?             ?      
1 1 1 48 4  32 o 0.9537000      1.388000      ?             ?      
1 1 1 48 4  33 o -0.9644000     1.490000      ?             ?      
1 1 1 48 4  34 o 0.8455000      1.521000      ?             ?      
1 1 1 48 4  35 o -2.975000      1.407000      ?             ?      
1 1 1 48 4  36 o -0.6494000     1.112000      ?             ?      
1 1 1 48 4  37 o -1.495000      1.116000      ?             ?      
1 1 1 48 4  38 o -0.1789000     1.026000      ?             ?      
1 1 1 48 4  39 < 0.000000       -1.000000     ?             ?      
1 1 1 48 5  0  o 1.268000       1.137000      ?             ?      
1 1 1 48 5  1  o -0.4281000     0.7894000     ?             ?      
1 1 1 48 5  2  o -0.8271000E-03 0.8252000     ?             ?      
1 1 1 48 5  3  o 0.3085000      0.7918000     ?             ?      
1 1 1 48 5  4  o -0.6214000E-01 0.8190000     ?             ?      
1 1 1 48 5  5  o 0.3926000E-01  0.8272000     ?             ?      
1 1 1 48 5  6  o -0.1027000E-01 0.8250000     ?             ?      
1 1 1 48 5  7  o -1.541000      0.8328000     ?             ?      
1 1 1 48 5  8  o -0.8352000     0.8307000     ?             ?      
1 1 1 48 5  9  o 1.367000       0.8694000     ?             ?      
1 1 1 48 5  10 o 0.8071000      0.8786000     ?             ?      
1 1 1 48 5  11 o -0.2403000     0.8752000     ?             ?      
1 1 1 48 5  12 o -1.056000      0.8859000     ?             ?      
1 1 1 48 5  13 o 2.083000       0.9022000     ?             ?      
1 1 1 48 5  14 o 1.451000       0.9121000     ?             ?      
1 1 1 48 5  15 o -0.7219000     0.8973000     ?             ?      
1 1 1 48 5  16 o 0.5759000      0.9152000     ?             ?      
1 1 1 48 5  17 o 0.1551000E-01  0.9876000     ?             ?      
1 1 1 48 5  18 o -0.4165000     0.9723000     ?             ?      
1 1 1 48 5  19 o -1.881000      0.9712000     ?             ?      
1 1 1 48 5  20 o -0.6953000E-01 0.9929000     ?             ?      
1 1 1 48 5  21 o 0.2014000      1.011000      ?             ?      
1 1 1 48 5  22 o 2.581000       1.003000      ?             ?      
1 1 1 48 5  23 o -0.7515000     0.9455000     ?             ?      
1 1 1 48 5  24 o 0.2796000      0.9136000     ?             ?      
1 1 1 48 5  25 o -0.4333000     0.9264000     ?             ?      
1 1 1 48 5  26 o -0.2127000     0.9142000     ?             ?      
1 1 1 48 5  27 o 0.5291000      0.9215000     ?             ?      
1 1 1 48 5  28 o -1.162000      0.9119000     ?             ?      
1 1 1 48 5  29 o 0.6852000      1.048000      ?             ?      
1 1 1 48 5  30 o -0.6199000E-01 1.042000      ?             ?      
1 1 1 48 5  31 o -0.3808000     1.081000      ?             ?      
1 1 1 48 5  32 o -1.549000      1.288000      ?             ?      
1 1 1 48 5  33 o 0.2095000      1.477000      ?             ?      
1 1 1 48 5  34 o -0.1158000     1.334000      ?             ?      
1 1 1 48 5  35 o -1.603000      1.408000      ?             ?      
1 1 1 48 5  36 o 0.5748000      1.062000      ?             ?      
1 1 1 48 5  37 o -0.4158000     1.022000      ?             ?      
1 1 1 48 5  38 o 0.1238000      1.476000      ?             ?      
1 1 1 48 5  39 o 1.154000       3.095000      ?             ?      
1 1 1 48 6  0  o 0.2040000      1.128000      ?             ?      
1 1 1 48 6  1  o -0.8183000E-01 0.7968000     ?             ?      
1 1 1 48 6  2  o -0.4835000     0.7954000     ?             ?      
1 1 1 48 6  3  o -0.1236000     0.7874000     ?             ?      
1 1 1 48 6  4  o -0.6818000     0.8066000     ?             ?      
1 1 1 48 6  5  o -0.1224000     0.8172000     ?             ?      
1 1 1 48 6  6  o 0.1635000      0.8231000     ?             ?      
1 1 1 48 6  7  o -1.061000      0.8210000     ?             ?      
1 1 1 48 6  8  o 0.4847000      0.8312000     ?             ?      
1 1 1 48 6  9  o -0.2524000     0.8591000     ?             ?      
1 1 1 48 6  10 f -0.7534000     0.8749000     ?             ?      
1 1 1 48 6  11 o 1.579000       0.8800000     ?             ?      
1 1 1 48 6  12 o -0.9363000     0.8906000     ?             ?      
1 1 1 48 6  13 o 0.4791000      0.9033000     ?             ?      
1 1 1 48 6  14 o -1.207000      0.8941000     ?             ?      
1 1 1 48 6  15 o -0.8075000     0.8959000     ?             ?      
1 1 1 48 6  16 o 1.256000       1.025000      ?             ?      
1 1 1 48 6  17 o 2.330000       1.026000      ?             ?      
1 1 1 48 6  18 o 0.8447000E-01  1.011000      ?             ?      
1 1 1 48 6  19 o -1.346000      0.9882000     ?             ?      
1 1 1 48 6  20 o -1.494000      0.9897000     ?             ?      
1 1 1 48 6  21 o 0.4620000      0.9695000     ?             ?      
1 1 1 48 6  22 o 0.2991000      0.9743000     ?             ?      
1 1 1 48 6  23 o -1.164000      1.020000      ?             ?      
1 1 1 48 6  24 o 1.691000       0.9497000     ?             ?      
1 1 1 48 6  25 o 0.1095000      0.9122000     ?             ?      
1 1 1 48 6  26 o 0.9070000      0.9135000     ?             ?      
1 1 1 48 6  27 o -0.4983000     0.9188000     ?             ?      
1 1 1 48 6  28 o -0.6705000     0.9248000     ?             ?      
1 1 1 48 6  29 o 0.7786000      1.038000      ?             ?      
1 1 1 48 6  30 o -0.3812000     1.043000      ?             ?      
1 1 1 48 6  31 o -0.1619000     1.078000      ?             ?      
1 1 1 48 6  32 o 0.8946000E-01  1.516000      ?             ?      
1 1 1 48 6  33 o 0.3338000E-01  1.520000      ?             ?      
1 1 1 48 6  34 o 1.228000       1.366000      ?             ?      
1 1 1 48 6  35 o 0.3061000      1.048000      ?             ?      
1 1 1 48 6  36 o -1.948000      1.117000      ?             ?      
1 1 1 48 6  37 o -1.049000      1.159000      ?             ?      
1 1 1 48 6  38 o 0.1317000      1.039000      ?             ?      
1 1 1 48 7  0  o 0.1203000      1.140000      ?             ?      
1 1 1 48 7  1  o 0.5575000      0.8028000     ?             ?      
1 1 1 48 7  2  o -0.1626000     0.7894000     ?             ?      
1 1 1 48 7  3  o -1.236000      0.7999000     ?             ?      
1 1 1 48 7  4  o 1.235000       0.8058000     ?             ?      
1 1 1 48 7  5  o -0.8327000     0.8112000     ?             ?      
1 1 1 48 7  6  o -0.1824000     0.8180000     ?             ?      
1 1 1 48 7  7  o 0.1116000      0.8216000     ?             ?      
1 1 1 48 7  8  o 0.6025000      0.8281000     ?             ?      
1 1 1 48 7  9  o -1.224000      0.8385000     ?             ?      
1 1 1 48 7  10 o -0.1153000     0.8670000     ?             ?      
1 1 1 48 7  11 o 0.7685000      0.8790000     ?             ?      
1 1 1 48 7  12 o 0.4095000      0.8850000     ?             ?      
1 1 1 48 7  13 o -0.3012000     0.8873000     ?             ?      
1 1 1 48 7  14 o -0.3428000     0.8880000     ?             ?      
1 1 1 48 7  15 o -0.9986000     0.9697000     ?             ?      
1 1 1 48 7  16 o -0.6228000     1.023000      ?             ?      
1 1 1 48 7  17 o -0.4102000     1.001000      ?             ?      
1 1 1 48 7  18 o 0.2840000      0.9904000     ?             ?      
1 1 1 48 7  19 o -0.5378000     0.9857000     ?             ?      
1 1 1 48 7  20 o -0.2620000     0.9736000     ?             ?      
1 1 1 48 7  21 o -0.2530000     0.9692000     ?             ?      
1 1 1 48 7  22 o 0.3439000      0.9716000     ?             ?      
1 1 1 48 7  23 o -0.1701000     0.9821000     ?             ?      
1 1 1 48 7  24 o -0.2073000     1.029000      ?             ?      
1 1 1 48 7  25 o 0.3511000      0.9218000     ?             ?      
1 1 1 48 7  26 o -0.2044000     0.9129000     ?             ?      
1 1 1 48 7  27 o 0.1070000      0.9141000     ?             ?      
1 1 1 48 7  28 o 0.2148000E-01  0.9354000     ?             ?      
1 1 1 48 7  29 o -0.7460000E-01 1.040000      ?             ?      
1 1 1 48 7  30 o 0.4528000      1.085000      ?             ?      
1 1 1 48 7  31 o -0.7463000     1.098000      ?             ?      
1 1 1 48 7  32 o -1.020000      1.513000      ?             ?      
1 1 1 48 7  33 o -0.1534000     1.361000      ?             ?      
1 1 1 48 7  34 o -0.4798000     1.116000      ?             ?      
1 1 1 48 7  35 o -1.430000      1.161000      ?             ?      
1 1 1 48 7  36 o 0.1962000      0.9743000     ?             ?      
1 1 1 48 7  37 o -0.9854000     0.9814000     ?             ?      
1 1 1 48 7  38 o -1.929000      1.920000      ?             ?      
1 1 1 48 8  0  o 0.5730000      1.115000      ?             ?      
1 1 1 48 8  1  o -0.7788000     0.7991000     ?             ?      
1 1 1 48 8  2  o 0.3946000E-01  0.7976000     ?             ?      
1 1 1 48 8  3  o -0.2746000     0.8028000     ?             ?      
1 1 1 48 8  4  o 0.4610000E-01  0.8060000     ?             ?      
1 1 1 48 8  5  o -0.3143000     0.8023000     ?             ?      
1 1 1 48 8  6  o -1.119000      0.8141000     ?             ?      
1 1 1 48 8  7  o 0.6663000      0.8260000     ?             ?      
1 1 1 48 8  8  o 0.2082000      0.8322000     ?             ?      
1 1 1 48 8  9  o -0.3194000     0.8587000     ?             ?      
1 1 1 48 8  10 o -1.182000      0.8694000     ?             ?      
1 1 1 48 8  11 o -2.328000      0.8749000     ?             ?      
1 1 1 48 8  12 o -0.9052000     0.9496000     ?             ?      
1 1 1 48 8  13 o -1.454000      0.9403000     ?             ?      
1 1 1 48 8  14 o 0.8825000E-01  0.9203000     ?             ?      
1 1 1 48 8  15 o 0.4086000E-01  1.040000      ?             ?      
1 1 1 48 8  16 o -0.3125000     0.9867000     ?             ?      
1 1 1 48 8  17 o -0.3891000     0.9910000     ?             ?      
1 1 1 48 8  18 o -1.869000      1.076000      ?             ?      
1 1 1 48 8  19 o -1.999000      0.9881000     ?             ?      
1 1 1 48 8  20 o -0.5509000     0.9778000     ?             ?      
1 1 1 48 8  21 o 1.001000       0.9726000     ?             ?      
1 1 1 48 8  22 o -0.7997000     0.9705000     ?             ?      
1 1 1 48 8  23 o 0.2351000      0.9761000     ?             ?      
1 1 1 48 8  24 o 0.7750000      0.9759000     ?             ?      
1 1 1 48 8  25 o 1.070000       0.9416000     ?             ?      
1 1 1 48 8  26 o 0.2909000      0.9096000     ?             ?      
1 1 1 48 8  27 o -1.054000      0.9195000     ?             ?      
1 1 1 48 8  28 o -1.521000      1.048000      ?             ?      
1 1 1 48 8  29 o -0.9748000     1.189000      ?             ?      
1 1 1 48 8  30 o -0.2933000     1.189000      ?             ?      
1 1 1 48 8  31 o 0.2568000      1.522000      ?             ?      
1 1 1 48 8  32 o -0.7707000     1.506000      ?             ?      
1 1 1 48 8  33 o -1.789000      1.316000      ?             ?      
1 1 1 48 8  34 o -0.3992000     1.096000      ?             ?      
1 1 1 48 8  35 o -0.4674000     1.106000      ?             ?      
1 1 1 48 8  36 o -1.589000      0.9780000     ?             ?      
1 1 1 48 8  37 o 0.7311000      1.023000      ?             ?      
1 1 1 48 8  38 o 3.485000       1.985000      ?             ?      
1 1 1 48 9  0  o -0.7983000     1.110000      ?             ?      
1 1 1 48 9  1  o -0.9400000     0.7911000     ?             ?      
1 1 1 48 9  2  o 0.4894000      0.8075000     ?             ?      
1 1 1 48 9  3  o 0.2624000      0.8041000     ?             ?      
1 1 1 48 9  4  o 0.1087000      0.8037000     ?             ?      
1 1 1 48 9  5  o 1.194000       0.8308000     ?             ?      
1 1 1 48 9  6  o -0.2073000     0.8359000     ?             ?      
1 1 1 48 9  7  o -0.9473000     0.8367000     ?             ?      
1 1 1 48 9  8  o -1.984000      0.8353000     ?             ?      
1 1 1 48 9  9  o 0.5432000      0.8422000     ?             ?      
1 1 1 48 9  10 o -0.2029000     0.9248000     ?             ?      
1 1 1 48 9  11 o -0.6579000     0.9955000     ?             ?      
1 1 1 48 9  12 o -1.431000      0.9121000     ?             ?      
1 1 1 48 9  13 o 0.6513000      0.8840000     ?             ?      
1 1 1 48 9  14 o -0.1005000     0.9053000     ?             ?      
1 1 1 48 9  15 o 0.8860000      0.9871000     ?             ?      
1 1 1 48 9  16 o 0.2095000E-01  0.9906000     ?             ?      
1 1 1 48 9  17 o -0.7457000     0.9932000     ?             ?      
1 1 1 48 9  18 o -0.2001000     0.9987000     ?             ?      
1 1 1 48 9  19 o 0.2606000E-02  0.9965000     ?             ?      
1 1 1 48 9  20 o 1.620000       0.9937000     ?             ?      
1 1 1 48 9  21 o -0.5621000E-01 0.9751000     ?             ?      
1 1 1 48 9  22 o -1.710000      0.9681000     ?             ?      
1 1 1 48 9  23 o -0.1567000     0.9777000     ?             ?      
1 1 1 48 9  24 o -0.3801000E-01 0.9755000     ?             ?      
1 1 1 48 9  25 o -0.4326000     1.005000      ?             ?      
1 1 1 48 9  26 o -0.1879000     0.9352000     ?             ?      
1 1 1 48 9  27 o -0.8517000     0.9682000     ?             ?      
1 1 1 48 9  28 o 0.3925000      1.144000      ?             ?      
1 1 1 48 9  29 o 1.293000       1.214000      ?             ?      
1 1 1 48 9  30 o -0.2183000     1.304000      ?             ?      
1 1 1 48 9  31 o 0.1627000      1.097000      ?             ?      
1 1 1 48 9  32 o 1.321000       1.063000      ?             ?      
1 1 1 48 9  33 o -0.6266000     1.207000      ?             ?      
1 1 1 48 9  34 o -1.350000      1.105000      ?             ?      
1 1 1 48 9  35 o -1.252000      1.074000      ?             ?      
1 1 1 48 9  36 o 1.365000       0.9912000     ?             ?      
1 1 1 48 9  37 o 0.8317000E-01  1.417000      ?             ?      
1 1 1 48 9  38 o 0.3390000      2.829000      ?             ?      
1 1 1 48 10 0  o 0.4647000      1.122000      ?             ?      
1 1 1 48 10 1  o 0.8696000      0.7977000     ?             ?      
1 1 1 48 10 2  o -0.9912000     0.8155000     ?             ?      
1 1 1 48 10 3  o -0.8298000     0.8305000     ?             ?      
1 1 1 48 10 4  o 0.7734000      0.8264000     ?             ?      
1 1 1 48 10 5  o 0.9541000E-01  0.8145000     ?             ?      
1 1 1 48 10 6  o -0.6638000     0.8133000     ?             ?      
1 1 1 48 10 7  o -0.2576000E-01 0.8825000     ?             ?      
1 1 1 48 10 8  o 0.6194000      0.8934000     ?             ?      
1 1 1 48 10 9  o 0.2584000E-01  0.8757000     ?             ?      
1 1 1 48 10 10 o -0.9590000     0.8476000     ?             ?      
1 1 1 48 10 11 o -0.6379000     0.8812000     ?             ?      
1 1 1 48 10 12 o 0.3729000E-02  0.8789000     ?             ?      
1 1 1 48 10 13 o 0.4659000      0.8731000     ?             ?      
1 1 1 48 10 14 o 0.8904000      1.002000      ?             ?      
1 1 1 48 10 15 o -0.6013000     0.9758000     ?             ?      
1 1 1 48 10 16 o 0.3899000      0.9826000     ?             ?      
1 1 1 48 10 17 o -0.2337000     0.9965000     ?             ?      
1 1 1 48 10 18 o -0.5514000     0.9989000     ?             ?      
1 1 1 48 10 19 o -0.3196000     0.9944000     ?             ?      
1 1 1 48 10 20 o -0.9225000E-01 0.9883000     ?             ?      
1 1 1 48 10 21 o 1.018000       0.9907000     ?             ?      
1 1 1 48 10 22 o -0.5871000     1.002000      ?             ?      
1 1 1 48 10 23 o -1.425000      1.017000      ?             ?      
1 1 1 48 10 24 o -0.5708000     1.056000      ?             ?      
1 1 1 48 10 25 o 0.9486000      1.009000      ?             ?      
1 1 1 48 10 26 o -0.2935000     1.030000      ?             ?      
1 1 1 48 10 27 o -1.010000      1.040000      ?             ?      
1 1 1 48 10 28 f -0.4736000     1.169000      ?             ?      
1 1 1 48 10 29 o -0.1437000     1.087000      ?             ?      
1 1 1 48 10 30 o 1.200000       1.225000      ?             ?      
1 1 1 48 10 31 o 0.3102000      1.105000      ?             ?      
1 1 1 48 10 32 o -1.095000      1.076000      ?             ?      
1 1 1 48 10 33 o 0.7851000      1.120000      ?             ?      
1 1 1 48 10 34 o 0.6614000      1.086000      ?             ?      
1 1 1 48 10 35 f 0.2154000      1.295000      ?             ?      
1 1 1 48 10 36 o -0.8570000     0.9886000     ?             ?      
1 1 1 48 10 37 o -0.9119000     1.217000      ?             ?      
1 1 1 48 11 0  o -0.4380000     1.141000      ?             ?      
1 1 1 48 11 1  o -1.709000      0.8274000     ?             ?      
1 1 1 48 11 2  o -0.3911000     0.8353000     ?             ?      
1 1 1 48 11 3  o 0.1711000E-01  0.8204000     ?             ?      
1 1 1 48 11 4  o -0.8926000     0.8267000     ?             ?      
1 1 1 48 11 5  o -0.7931000     0.8744000     ?             ?      
1 1 1 48 11 6  o -1.113000      0.8626000     ?             ?      
1 1 1 48 11 7  o -0.1235000     0.8553000     ?             ?      
1 1 1 48 11 8  o -1.015000      0.8281000     ?             ?      
1 1 1 48 11 9  o -0.2745000     0.8354000     ?             ?      
1 1 1 48 11 10 o 1.246000       0.8399000     ?             ?      
1 1 1 48 11 11 o -0.4531000E-01 0.8737000     ?             ?      
1 1 1 48 11 12 o 0.9093000      0.8760000     ?             ?      
1 1 1 48 11 13 o 0.4962000      0.8840000     ?             ?      
1 1 1 48 11 14 o -0.4651000E-01 1.004000      ?             ?      
1 1 1 48 11 15 o -1.016000      0.9744000     ?             ?      
1 1 1 48 11 16 o 0.7828000      0.9851000     ?             ?      
1 1 1 48 11 17 o -0.7951000     1.000000      ?             ?      
1 1 1 48 11 18 o 0.3984000      1.007000      ?             ?      
1 1 1 48 11 19 o -0.3595000     1.008000      ?             ?      
1 1 1 48 11 20 o 0.8781000      1.036000      ?             ?      
1 1 1 48 11 21 o -0.6291000     1.027000      ?             ?      
1 1 1 48 11 22 o 0.4761000      1.025000      ?             ?      
1 1 1 48 11 23 o -0.5654000     1.021000      ?             ?      
1 1 1 48 11 24 o 1.193000       1.152000      ?             ?      
1 1 1 48 11 25 o -1.373000      1.148000      ?             ?      
1 1 1 48 11 26 o -1.307000      1.001000      ?             ?      
1 1 1 48 11 27 o -0.8445000     1.185000      ?             ?      
1 1 1 48 11 28 o -1.158000      1.083000      ?             ?      
1 1 1 48 11 29 o -0.6199000     1.132000      ?             ?      
1 1 1 48 11 30 o 0.7700000      1.132000      ?             ?      
1 1 1 48 11 31 o -0.1777000     1.083000      ?             ?      
1 1 1 48 11 32 o -2.253000      1.026000      ?             ?      
1 1 1 48 11 33 o 0.9336000      1.082000      ?             ?      
1 1 1 48 11 34 o 0.7627000      1.082000      ?             ?      
1 1 1 48 11 35 o 0.9599000E-01  1.105000      ?             ?      
1 1 1 48 11 36 o 0.6080000      1.032000      ?             ?      
1 1 1 48 11 37 o 2.217000       1.973000      ?             ?      
1 1 1 48 12 0  o -0.7803000     1.174000      ?             ?      
1 1 1 48 12 1  o 0.8112000E-01  0.8394000     ?             ?      
1 1 1 48 12 2  o 0.1911000      0.9117000     ?             ?      
1 1 1 48 12 3  o 1.481000       0.9628000     ?             ?      
1 1 1 48 12 4  o -0.6402000     0.8609000     ?             ?      
1 1 1 48 12 5  o 0.1551000      0.8127000     ?             ?      
1 1 1 48 12 6  o 0.4874000E-02  0.8177000     ?             ?      
1 1 1 48 12 7  o -0.8578000     0.8159000     ?             ?      
1 1 1 48 12 8  o -0.2279000     0.8181000     ?             ?      
1 1 1 48 12 9  o 0.2240000      0.8288000     ?             ?      
1 1 1 48 12 10 o -1.368000      0.8427000     ?             ?      
1 1 1 48 12 11 o 1.993000       0.8652000     ?             ?      
1 1 1 48 12 12 o 0.3233000      0.8667000     ?             ?      
1 1 1 48 12 13 o -0.5326000     1.005000      ?             ?      
1 1 1 48 12 14 o 0.5165000      0.9825000     ?             ?      
1 1 1 48 12 15 o 1.073000       0.9950000     ?             ?      
1 1 1 48 12 16 o 0.7397000      0.9866000     ?             ?      
1 1 1 48 12 17 o 1.759000       1.014000      ?             ?      
1 1 1 48 12 18 o -2.170000      1.035000      ?             ?      
1 1 1 48 12 19 o 0.4846000      1.084000      ?             ?      
1 1 1 48 12 20 o 0.1117000      1.032000      ?             ?      
1 1 1 48 12 21 o 0.4530000      1.030000      ?             ?      
1 1 1 48 12 22 o -0.5649000E-01 1.127000      ?             ?      
1 1 1 48 12 23 o 0.4046000      1.021000      ?             ?      
1 1 1 48 12 24 o -0.3422000     1.006000      ?             ?      
1 1 1 48 12 25 o 0.3485000      1.007000      ?             ?      
1 1 1 48 12 26 o -0.8840000     1.008000      ?             ?      
1 1 1 48 12 27 o -2.220000      1.127000      ?             ?      
1 1 1 48 12 28 o -1.210000      1.313000      ?             ?      
1 1 1 48 12 29 o -1.356000      1.141000      ?             ?      
1 1 1 48 12 30 o -0.3602000     1.083000      ?             ?      
1 1 1 48 12 31 o -0.4329000     1.033000      ?             ?      
1 1 1 48 12 32 o -0.7736000     1.018000      ?             ?      
1 1 1 48 12 33 o 0.1405000      1.072000      ?             ?      
1 1 1 48 12 34 o 0.2103000      1.077000      ?             ?      
1 1 1 48 12 35 o 0.8276000      1.103000      ?             ?      
1 1 1 48 12 36 o 0.7393000      1.980000      ?             ?      
1 1 1 48 12 37 o -2.034000      2.893000      ?             ?      
1 1 1 48 13 0  o -2.466000      1.339000      ?             ?      
1 1 1 48 13 1  o 0.6286000      0.9179000     ?             ?      
1 1 1 48 13 2  o -1.072000      0.8290000     ?             ?      
1 1 1 48 13 3  o 0.2946000      0.8456000     ?             ?      
1 1 1 48 13 4  o 0.5561000      0.8461000     ?             ?      
1 1 1 48 13 5  o -0.2846000     0.8196000     ?             ?      
1 1 1 48 13 6  o -1.395000      0.8116000     ?             ?      
1 1 1 48 13 7  o -0.7238000     0.8162000     ?             ?      
1 1 1 48 13 8  o -0.2637000E-01 0.8198000     ?             ?      
1 1 1 48 13 9  o -0.4298000     0.8299000     ?             ?      
1 1 1 48 13 10 o 0.4218000      0.8401000     ?             ?      
1 1 1 48 13 11 o -1.344000      0.8398000     ?             ?      
1 1 1 48 13 12 o -0.4886000     0.9377000     ?             ?      
1 1 1 48 13 13 o -0.1116000     0.9953000     ?             ?      
1 1 1 48 13 14 o -0.5236000     0.9793000     ?             ?      
1 1 1 48 13 15 o 1.666000       1.024000      ?             ?      
1 1 1 48 13 16 o 0.4464000E-01  1.032000      ?             ?      
1 1 1 48 13 17 o -0.3024000E-02 1.027000      ?             ?      
1 1 1 48 13 18 o -0.4615000E-01 1.043000      ?             ?      
1 1 1 48 13 19 o -1.900000      1.106000      ?             ?      
1 1 1 48 13 20 o 0.8025000      1.136000      ?             ?      
1 1 1 48 13 21 o -0.1443000     1.002000      ?             ?      
1 1 1 48 13 22 o 0.7145000      1.008000      ?             ?      
1 1 1 48 13 23 o 0.5994000E-01  1.012000      ?             ?      
1 1 1 48 13 24 o 0.7260000      1.007000      ?             ?      
1 1 1 48 13 25 f 0.4037000      1.017000      ?             ?      
1 1 1 48 13 26 o -0.3829000     1.096000      ?             ?      
1 1 1 48 13 27 o 0.4193000      1.166000      ?             ?      
1 1 1 48 13 28 o -0.9335000     1.278000      ?             ?      
1 1 1 48 13 29 o 0.5884000      1.409000      ?             ?      
1 1 1 48 13 30 o -0.3577000     1.094000      ?             ?      
1 1 1 48 13 31 o -1.390000      1.558000      ?             ?      
1 1 1 48 13 32 o 0.3628000      0.9636000     ?             ?      
1 1 1 48 13 33 o 1.745000       1.087000      ?             ?      
1 1 1 48 13 34 o 1.005000       1.101000      ?             ?      
1 1 1 48 13 35 o -0.1829000     1.171000      ?             ?      
1 1 1 48 13 36 o -1.267000      1.255000      ?             ?      
1 1 1 48 14 0  o -1.769000      1.175000      ?             ?      
1 1 1 48 14 1  o -0.4257000     0.8987000     ?             ?      
1 1 1 48 14 2  o -0.3868000     0.9486000     ?             ?      
1 1 1 48 14 3  o -0.7886000     0.8618000     ?             ?      
1 1 1 48 14 4  o -0.5007000     0.8223000     ?             ?      
1 1 1 48 14 5  o -0.6528000     0.8275000     ?             ?      
1 1 1 48 14 6  o -0.7019000E-01 0.8374000     ?             ?      
1 1 1 48 14 7  o -0.4041000     0.8384000     ?             ?      
1 1 1 48 14 8  o 0.3127000      0.8213000     ?             ?      
1 1 1 48 14 9  f -1.053000      0.8241000     ?             ?      
1 1 1 48 14 10 o -0.1390000     0.8381000     ?             ?      
1 1 1 48 14 11 o -0.6434000     0.8412000     ?             ?      
1 1 1 48 14 12 o -1.135000      0.8888000     ?             ?      
1 1 1 48 14 13 o -1.542000      1.022000      ?             ?      
1 1 1 48 14 14 o -0.3310000     1.021000      ?             ?      
1 1 1 48 14 15 o 0.1235000      1.025000      ?             ?      
1 1 1 48 14 16 o -1.512000      0.9877000     ?             ?      
1 1 1 48 14 17 o -0.4412000     1.086000      ?             ?      
1 1 1 48 14 18 o -0.2281000     1.026000      ?             ?      
1 1 1 48 14 19 o -1.633000      1.012000      ?             ?      
1 1 1 48 14 20 o -0.7347000     1.029000      ?             ?      
1 1 1 48 14 21 o -1.108000      1.019000      ?             ?      
1 1 1 48 14 22 o -0.4432000     1.013000      ?             ?      
1 1 1 48 14 23 o 1.448000       1.019000      ?             ?      
1 1 1 48 14 24 o -1.288000      1.015000      ?             ?      
1 1 1 48 14 25 o 0.5556000      1.118000      ?             ?      
1 1 1 48 14 26 o -0.5405000     1.142000      ?             ?      
1 1 1 48 14 27 o 0.3674000      1.289000      ?             ?      
1 1 1 48 14 28 o 0.9698000      1.293000      ?             ?      
1 1 1 48 14 29 o -1.312000      1.315000      ?             ?      
1 1 1 48 14 30 o 0.5158000      1.079000      ?             ?      
1 1 1 48 14 31 o -0.1494000     1.040000      ?             ?      
1 1 1 48 14 32 o -1.358000      0.9705000     ?             ?      
1 1 1 48 14 33 o -0.8253000     1.085000      ?             ?      
1 1 1 48 14 34 o 0.2518000      1.087000      ?             ?      
1 1 1 48 14 35 o 0.6330000      1.207000      ?             ?      
1 1 1 48 14 36 o 1.830000       2.923000      ?             ?      
1 1 1 48 15 0  o 0.1280000      1.171000      ?             ?      
1 1 1 48 15 1  o 0.5999000      0.8339000     ?             ?      
1 1 1 48 15 2  o 0.1056000      0.8147000     ?             ?      
1 1 1 48 15 3  o 0.2808000      0.8241000     ?             ?      
1 1 1 48 15 4  o 1.043000       0.9049000     ?             ?      
1 1 1 48 15 5  o -0.8733000E-01 0.9797000     ?             ?      
1 1 1 48 15 6  o -0.4934000     0.8622000     ?             ?      
1 1 1 48 15 7  o -1.111000      0.8247000     ?             ?      
1 1 1 48 15 8  o -1.170000      0.8291000     ?             ?      
1 1 1 48 15 9  o -0.7779000     0.8673000     ?             ?      
1 1 1 48 15 10 o 0.9903000      0.9052000     ?             ?      
1 1 1 48 15 11 o -1.193000      0.8846000     ?             ?      
1 1 1 48 15 12 o 0.5085000      1.069000      ?             ?      
1 1 1 48 15 13 o 0.3917000      0.9895000     ?             ?      
1 1 1 48 15 14 o -0.4796000     1.061000      ?             ?      
1 1 1 48 15 15 o 0.8482000      1.081000      ?             ?      
1 1 1 48 15 16 o -2.290000      1.005000      ?             ?      
1 1 1 48 15 17 o 0.6741000E-01  1.005000      ?             ?      
1 1 1 48 15 18 o -1.195000      1.010000      ?             ?      
1 1 1 48 15 19 o 0.6108000      1.038000      ?             ?      
1 1 1 48 15 20 o -0.9292000     1.013000      ?             ?      
1 1 1 48 15 21 o -1.887000      1.021000      ?             ?      
1 1 1 48 15 22 o 0.7187000      1.036000      ?             ?      
1 1 1 48 15 23 o -1.151000      1.033000      ?             ?      
1 1 1 48 15 24 o 0.1282000      1.042000      ?             ?      
1 1 1 48 15 25 o 1.877000       1.131000      ?             ?      
1 1 1 48 15 26 o 1.466000       1.295000      ?             ?      
1 1 1 48 15 27 o 0.5557000      1.308000      ?             ?      
1 1 1 48 15 28 o -0.7376000     1.224000      ?             ?      
1 1 1 48 15 29 o 0.8450000      1.185000      ?             ?      
1 1 1 48 15 30 o -0.4392000     1.208000      ?             ?      
1 1 1 48 15 31 o 0.1627000E-01  1.048000      ?             ?      
1 1 1 48 15 32 o 0.3171000      1.063000      ?             ?      
1 1 1 48 15 33 o 0.7588000      1.086000      ?             ?      
1 1 1 48 15 34 o -0.5050000     1.164000      ?             ?      
1 1 1 48 15 35 o 2.903000       1.278000      ?             ?      
1 1 1 48 16 0  o -0.1169000     1.169000      ?             ?      
1 1 1 48 16 1  o -0.8801000     0.8277000     ?             ?      
1 1 1 48 16 2  o 0.3605000      0.8292000     ?             ?      
1 1 1 48 16 3  o 0.7411000      0.8138000     ?             ?      
1 1 1 48 16 4  o -0.8770000     0.8232000     ?             ?      
1 1 1 48 16 5  o -0.2115000     0.8265000     ?             ?      
1 1 1 48 16 6  o -0.8054000     0.8326000     ?             ?      
1 1 1 48 16 7  o -0.9382000     0.9465000     ?             ?      
1 1 1 48 16 8  o 0.3414000      1.055000      ?             ?      
1 1 1 48 16 9  o -0.7059000     0.9592000     ?             ?      
1 1 1 48 16 10 o -0.5470000E-01 0.9006000     ?             ?      
1 1 1 48 16 11 o -0.5557000     0.8656000     ?             ?      
1 1 1 48 16 12 o 1.482000       1.027000      ?             ?      
1 1 1 48 16 13 o -1.216000      1.009000      ?             ?      
1 1 1 48 16 14 o 0.4939000E-01  0.9955000     ?             ?      
1 1 1 48 16 15 o 0.9059000E-01  0.9997000     ?             ?      
1 1 1 48 16 16 o 0.6998000      1.012000      ?             ?      
1 1 1 48 16 17 o -0.6197000     1.017000      ?             ?      
1 1 1 48 16 18 o 0.7412000      1.036000      ?             ?      
1 1 1 48 16 19 o 0.2345000      1.025000      ?             ?      
1 1 1 48 16 20 o 0.9753000      1.029000      ?             ?      
1 1 1 48 16 21 o 1.271000       1.029000      ?             ?      
1 1 1 48 16 22 o 0.5046000      1.034000      ?             ?      
1 1 1 48 16 23 o 0.9887000      1.044000      ?             ?      
1 1 1 48 16 24 o 1.180000       1.152000      ?             ?      
1 1 1 48 16 25 o 0.6336000      1.150000      ?             ?      
1 1 1 48 16 26 o 0.3958000      1.320000      ?             ?      
1 1 1 48 16 27 o -0.7984000E-01 1.204000      ?             ?      
1 1 1 48 16 28 o 0.5689000      1.350000      ?             ?      
1 1 1 48 16 29 o -0.1712000     1.167000      ?             ?      
1 1 1 48 16 30 o -0.4115000     1.144000      ?             ?      
1 1 1 48 16 31 o -2.928000      1.078000      ?             ?      
1 1 1 48 16 32 o 0.1569000      1.014000      ?             ?      
1 1 1 48 16 33 o 1.462000       1.080000      ?             ?      
1 1 1 48 16 34 o 0.8616000      1.195000      ?             ?      
1 1 1 48 17 0  o -2.455000      1.179000      ?             ?      
1 1 1 48 17 1  o -0.3787000     0.8274000     ?             ?      
1 1 1 48 17 2  o 1.136000       0.8296000     ?             ?      
1 1 1 48 17 3  o -0.2240000     0.8368000     ?             ?      
1 1 1 48 17 4  o -0.9301000     0.8199000     ?             ?      
1 1 1 48 17 5  o -0.4769000     0.8646000     ?             ?      
1 1 1 48 17 6  o -0.2005000     0.9194000     ?             ?      
1 1 1 48 17 7  o -0.1978000     0.9198000     ?             ?      
1 1 1 48 17 8  o 0.6942000      0.8483000     ?             ?      
1 1 1 48 17 9  o 0.8837000      0.9797000     ?             ?      
1 1 1 48 17 10 o 0.1628000      0.9973000     ?             ?      
1 1 1 48 17 11 o 1.060000       1.045000      ?             ?      
1 1 1 48 17 12 o -1.563000      1.043000      ?             ?      
1 1 1 48 17 13 o 0.7380000      0.9985000     ?             ?      
1 1 1 48 17 14 o 0.6800000      1.019000      ?             ?      
1 1 1 48 17 15 o 0.5232000      1.027000      ?             ?      
1 1 1 48 17 16 o 0.8748000      1.014000      ?             ?      
1 1 1 48 17 17 o -1.555000      1.009000      ?             ?      
1 1 1 48 17 18 o 0.7668000E-01  1.050000      ?             ?      
1 1 1 48 17 19 o 1.344000       1.033000      ?             ?      
1 1 1 48 17 20 o 0.4214000      1.043000      ?             ?      
1 1 1 48 17 21 o -0.9478000     1.044000      ?             ?      
1 1 1 48 17 22 o -0.3139000     1.049000      ?             ?      
1 1 1 48 17 23 o -1.042000      1.149000      ?             ?      
1 1 1 48 17 24 o -0.4895000     1.158000      ?             ?      
1 1 1 48 17 25 o -1.369000      1.358000      ?             ?      
1 1 1 48 17 26 o 0.9177000E-01  1.330000      ?             ?      
1 1 1 48 17 27 o -0.4465000     1.224000      ?             ?      
1 1 1 48 17 28 o 0.5435000E-01  1.203000      ?             ?      
1 1 1 48 17 29 o -1.414000      1.177000      ?             ?      
1 1 1 48 17 30 o 0.6705000      1.173000      ?             ?      
1 1 1 48 17 31 o -0.3819000     1.063000      ?             ?      
1 1 1 48 17 32 o -0.6747000     1.108000      ?             ?      
1 1 1 48 17 33 o 0.8821000      1.223000      ?             ?      
1 1 1 48 17 34 o 2.190000       2.087000      ?             ?      
1 1 1 48 18 0  o -1.068000      1.180000      ?             ?      
1 1 1 48 18 1  o 0.4277000      0.8347000     ?             ?      
1 1 1 48 18 2  o -0.1806000     0.8750000     ?             ?      
1 1 1 48 18 3  o -0.5456000     0.8717000     ?             ?      
1 1 1 48 18 4  o 0.4818000      0.9155000     ?             ?      
1 1 1 48 18 5  o 0.9275000      0.9212000     ?             ?      
1 1 1 48 18 6  o -0.4180000     0.8503000     ?             ?      
1 1 1 48 18 7  o -0.3239000     0.8528000     ?             ?      
1 1 1 48 18 8  o 1.433000       0.9194000     ?             ?      
1 1 1 48 18 9  o 0.1799000      0.8403000     ?             ?      
1 1 1 48 18 10 o 0.8279000E-01  0.8389000     ?             ?      
1 1 1 48 18 11 o 0.3970000      0.9554000     ?             ?      
1 1 1 48 18 12 o -1.138000      0.9317000     ?             ?      
1 1 1 48 18 13 o -0.7613000     1.162000      ?             ?      
1 1 1 48 18 14 o -1.563000      1.155000      ?             ?      
1 1 1 48 18 15 o -0.3026000     1.027000      ?             ?      
1 1 1 48 18 16 o 0.5568000      1.027000      ?             ?      
1 1 1 48 18 17 o 1.041000       1.081000      ?             ?      
1 1 1 48 18 18 o 0.5910000      1.068000      ?             ?      
1 1 1 48 18 19 o -1.557000      1.037000      ?             ?      
1 1 1 48 18 20 o -0.9561000     1.048000      ?             ?      
1 1 1 48 18 21 o -1.342000      1.055000      ?             ?      
1 1 1 48 18 22 o 0.8193000      1.075000      ?             ?      
1 1 1 48 18 23 o -1.670000      1.192000      ?             ?      
1 1 1 48 18 24 o -0.5833000     1.349000      ?             ?      
1 1 1 48 18 25 o 1.913000       1.391000      ?             ?      
1 1 1 48 18 26 o -0.3933000     1.242000      ?             ?      
1 1 1 48 18 27 o -0.2174000     1.288000      ?             ?      
1 1 1 48 18 28 o -0.2137000     1.135000      ?             ?      
1 1 1 48 18 29 o -0.5649000     1.166000      ?             ?      
1 1 1 48 18 30 o 0.1807000      1.067000      ?             ?      
1 1 1 48 18 31 o 0.6044000      1.053000      ?             ?      
1 1 1 48 18 32 o -0.3227000     1.160000      ?             ?      
1 1 1 48 18 33 o 0.9171000      1.593000      ?             ?      
1 1 1 48 19 0  o 0.1559000      1.285000      ?             ?      
1 1 1 48 19 1  o 0.6757000      0.9676000     ?             ?      
1 1 1 48 19 2  o -1.623000      0.9345000     ?             ?      
1 1 1 48 19 3  o -0.1494000     0.8409000     ?             ?      
1 1 1 48 19 4  o -1.391000      0.8428000     ?             ?      
1 1 1 48 19 5  o 0.6388000E-01  0.8385000     ?             ?      
1 1 1 48 19 6  o 0.2494000      0.8429000     ?             ?      
1 1 1 48 19 7  o 0.6966000      0.8442000     ?             ?      
1 1 1 48 19 8  o 0.7413000      0.8531000     ?             ?      
1 1 1 48 19 9  o 0.4470000      0.8422000     ?             ?      
1 1 1 48 19 10 o 1.671000       0.8713000     ?             ?      
1 1 1 48 19 11 o 1.131000       0.9442000     ?             ?      
1 1 1 48 19 12 o -2.640000      0.9320000     ?             ?      
1 1 1 48 19 13 o 0.9781000      1.006000      ?             ?      
1 1 1 48 19 14 o 1.999000       1.016000      ?             ?      
1 1 1 48 19 15 o -1.708000      1.020000      ?             ?      
1 1 1 48 19 16 o -0.2749000     1.179000      ?             ?      
1 1 1 48 19 17 o -1.023000      1.194000      ?             ?      
1 1 1 48 19 18 o 0.8655000      1.053000      ?             ?      
1 1 1 48 19 19 o 0.3284000      1.082000      ?             ?      
1 1 1 48 19 20 o 0.1211000      1.091000      ?             ?      
1 1 1 48 19 21 o -1.331000      1.071000      ?             ?      
1 1 1 48 19 22 o 0.3576000      1.184000      ?             ?      
1 1 1 48 19 23 o 0.4281000      1.221000      ?             ?      
1 1 1 48 19 24 o 0.3748000      1.411000      ?             ?      
1 1 1 48 19 25 o 0.2265000      1.279000      ?             ?      
1 1 1 48 19 26 o 0.1937000      1.166000      ?             ?      
1 1 1 48 19 27 o -1.092000      1.232000      ?             ?      
1 1 1 48 19 28 o 1.070000       1.215000      ?             ?      
1 1 1 48 19 29 o 0.6270000      1.176000      ?             ?      
1 1 1 48 19 30 o 0.6321000E-01  1.062000      ?             ?      
1 1 1 48 19 31 o -0.3870000     1.145000      ?             ?      
1 1 1 48 19 32 o 1.855000       1.512000      ?             ?      
1 1 1 48 20 0  o -0.4067000     1.206000      ?             ?      
1 1 1 48 20 1  o -0.4114000     0.9377000     ?             ?      
1 1 1 48 20 2  f -1.871000      0.8515000     ?             ?      
1 1 1 48 20 3  o 1.317000       0.8868000     ?             ?      
1 1 1 48 20 4  o -0.6604000     0.8829000     ?             ?      
1 1 1 48 20 5  o -0.2399000E-01 0.8529000     ?             ?      
1 1 1 48 20 6  o 2.147000       0.8487000     ?             ?      
1 1 1 48 20 7  o 0.2094000      0.8596000     ?             ?      
1 1 1 48 20 8  o 0.7275000      0.8457000     ?             ?      
1 1 1 48 20 9  o -0.1187000     0.8428000     ?             ?      
1 1 1 48 20 10 o -0.3442000     0.8692000     ?             ?      
1 1 1 48 20 11 o 0.2830000      0.9490000     ?             ?      
1 1 1 48 20 12 o -0.8229000     0.9414000     ?             ?      
1 1 1 48 20 13 o 0.6135000      1.018000      ?             ?      
1 1 1 48 20 14 o -0.8923000     1.014000      ?             ?      
1 1 1 48 20 15 o 0.6279000      1.020000      ?             ?      
1 1 1 48 20 16 o 1.879000       1.077000      ?             ?      
1 1 1 48 20 17 o -1.340000      1.075000      ?             ?      
1 1 1 48 20 18 o -0.8967000     1.064000      ?             ?      
1 1 1 48 20 19 o 1.529000       1.231000      ?             ?      
1 1 1 48 20 20 o 0.7119000E-02  1.248000      ?             ?      
1 1 1 48 20 21 o 0.1784000      1.194000      ?             ?      
1 1 1 48 20 22 o -1.332000      1.238000      ?             ?      
1 1 1 48 20 23 o 2.298000       1.466000      ?             ?      
1 1 1 48 20 24 o 0.9379000      1.427000      ?             ?      
1 1 1 48 20 25 o 1.669000       1.287000      ?             ?      
1 1 1 48 20 26 o 0.7340000      1.170000      ?             ?      
1 1 1 48 20 27 o -2.287000      2.194000      ?             ?      
1 1 1 48 20 28 o -0.4621000     1.054000      ?             ?      
1 1 1 48 20 29 o 0.6518000      1.228000      ?             ?      
1 1 1 48 20 30 o -1.993000      1.071000      ?             ?      
1 1 1 48 20 31 o -1.965000      2.793000      ?             ?      
1 1 1 48 20 32 < 0.000000       -1.000000     ?             ?      
1 1 1 48 21 0  o -1.264000      1.208000      ?             ?      
1 1 1 48 21 1  o -0.5457000E-01 0.8456000     ?             ?      
1 1 1 48 21 2  o -0.8593000     0.8469000     ?             ?      
1 1 1 48 21 3  o 1.769000       0.9473000     ?             ?      
1 1 1 48 21 4  o -0.7020000     0.9337000     ?             ?      
1 1 1 48 21 5  o 0.3714000E-01  0.8653000     ?             ?      
1 1 1 48 21 6  o -0.8456000     0.8988000     ?             ?      
1 1 1 48 21 7  o -0.8394000     0.9090000     ?             ?      
1 1 1 48 21 8  o -0.6040000     0.8407000     ?             ?      
1 1 1 48 21 9  o 0.2700000      0.8454000     ?             ?      
1 1 1 48 21 10 o 0.3909000      0.9631000     ?             ?      
1 1 1 48 21 11 o -0.3240000E-01 0.9507000     ?             ?      
1 1 1 48 21 12 o 0.4521000E-01  0.9458000     ?             ?      
1 1 1 48 21 13 o 0.9617000E-01  0.9554000     ?             ?      
1 1 1 48 21 14 o -1.049000      1.011000      ?             ?      
1 1 1 48 21 15 o 0.6590000      1.054000      ?             ?      
1 1 1 48 21 16 o -1.001000      1.046000      ?             ?      
1 1 1 48 21 17 o -0.1651000     1.051000      ?             ?      
1 1 1 48 21 18 o -0.1035000     1.064000      ?             ?      
1 1 1 48 21 19 o -1.211000      1.056000      ?             ?      
1 1 1 48 21 20 o -0.6267000     1.190000      ?             ?      
1 1 1 48 21 21 o -0.7623000     1.221000      ?             ?      
1 1 1 48 21 22 o 1.248000       2.147000      ?             ?      
1 1 1 48 21 23 o -0.6487000     2.071000      ?             ?      
1 1 1 48 21 24 o -2.634000      1.302000      ?             ?      
1 1 1 48 21 25 o 0.2414000      1.182000      ?             ?      
1 1 1 48 21 26 o -2.109000      1.317000      ?             ?      
1 1 1 48 21 27 o -0.6501000     1.250000      ?             ?      
1 1 1 48 21 28 o 0.2057000      1.248000      ?             ?      
1 1 1 48 21 29 o 2.192000       1.119000      ?             ?      
1 1 1 48 21 30 o -1.454000      1.491000      ?             ?      
1 1 1 48 21 31 < 0.000000       -1.000000     ?             ?      
1 1 1 48 22 0  o 0.5842000      1.212000      ?             ?      
1 1 1 48 22 1  o 0.6350000      0.8663000     ?             ?      
1 1 1 48 22 2  o -0.2398000     0.8589000     ?             ?      
1 1 1 48 22 3  o -1.044000      0.8517000     ?             ?      
1 1 1 48 22 4  o 1.290000       0.8641000     ?             ?      
1 1 1 48 22 5  o 1.194000       0.8683000     ?             ?      
1 1 1 48 22 6  o 0.3365000      0.9481000     ?             ?      
1 1 1 48 22 7  o 0.8755000      0.9198000     ?             ?      
1 1 1 48 22 8  o 0.9833000      0.9584000     ?             ?      
1 1 1 48 22 9  o 0.5481000      0.8881000     ?             ?      
1 1 1 48 22 10 o -0.5193000     0.9794000     ?             ?      
1 1 1 48 22 11 o -0.5263000     0.9536000     ?             ?      
1 1 1 48 22 12 o -0.2164000     0.9573000     ?             ?      
1 1 1 48 22 13 o 0.6004000      0.9614000     ?             ?      
1 1 1 48 22 14 o -0.4945000     1.029000      ?             ?      
1 1 1 48 22 15 o -1.410000      1.019000      ?             ?      
1 1 1 48 22 16 o -0.3976000     1.037000      ?             ?      
1 1 1 48 22 17 o -0.9442000     1.032000      ?             ?      
1 1 1 48 22 18 o -1.572000      1.055000      ?             ?      
1 1 1 48 22 19 o 1.030000       1.084000      ?             ?      
1 1 1 48 22 20 o 0.9947000      1.217000      ?             ?      
1 1 1 48 22 21 o -1.024000      1.441000      ?             ?      
1 1 1 48 22 22 o 2.779000       1.495000      ?             ?      
1 1 1 48 22 23 o -1.078000      1.339000      ?             ?      
1 1 1 48 22 24 o -0.4382000     1.187000      ?             ?      
1 1 1 48 22 25 o -3.210000      1.313000      ?             ?      
1 1 1 48 22 26 o 0.8761000      2.319000      ?             ?      
1 1 1 48 22 27 o -2.130000      1.277000      ?             ?      
1 1 1 48 22 28 o 0.3337000E-01  1.330000      ?             ?      
1 1 1 48 22 29 o -1.088000      1.529000      ?             ?      
1 1 1 48 22 30 o 5.520000       1.924000      ?             ?      
1 1 1 48 23 0  o 0.3262000      1.211000      ?             ?      
1 1 1 48 23 1  o 0.2518000      0.8604000     ?             ?      
1 1 1 48 23 2  o -0.5579000     0.8681000     ?             ?      
1 1 1 48 23 3  o 0.6903000      0.8670000     ?             ?      
1 1 1 48 23 4  o -0.5931000E-01 0.8662000     ?             ?      
1 1 1 48 23 5  o 0.3485000      0.8681000     ?             ?      
1 1 1 48 23 6  f -0.6148000     0.8774000     ?             ?      
1 1 1 48 23 7  o -0.1409000     0.8733000     ?             ?      
1 1 1 48 23 8  o 0.3323000      0.8548000     ?             ?      
1 1 1 48 23 9  o -0.5547000     0.9564000     ?             ?      
1 1 1 48 23 10 o -0.8475000     1.112000      ?             ?      
1 1 1 48 23 11 o -0.6358000     1.052000      ?             ?      
1 1 1 48 23 12 o 0.9529000      1.045000      ?             ?      
1 1 1 48 23 13 o 0.8336000E-01  0.9709000     ?             ?      
1 1 1 48 23 14 o 1.068000       1.033000      ?             ?      
1 1 1 48 23 15 o -0.3439000     1.023000      ?             ?      
1 1 1 48 23 16 o 0.3777000      1.032000      ?             ?      
1 1 1 48 23 17 o -0.2831000     1.048000      ?             ?      
1 1 1 48 23 18 o -1.934000      1.070000      ?             ?      
1 1 1 48 23 19 o 0.2414000      1.207000      ?             ?      
1 1 1 48 23 20 o -1.253000      2.273000      ?             ?      
1 1 1 48 23 21 o 2.025000       1.487000      ?             ?      
1 1 1 48 23 22 o 1.485000       1.490000      ?             ?      
1 1 1 48 23 23 o 0.4456000      1.328000      ?             ?      
1 1 1 48 23 24 o -1.477000      1.184000      ?             ?      
1 1 1 48 23 25 o 0.4920000      1.345000      ?             ?      
1 1 1 48 23 26 o -1.176000      1.273000      ?             ?      
1 1 1 48 23 27 o 1.018000       1.299000      ?             ?      
1 1 1 48 23 28 o -0.5679000     2.195000      ?             ?      
1 1 1 48 23 29 o -3.011000      1.876000      ?             ?      
1 1 1 48 24 0  o 0.1380000      1.218000      ?             ?      
1 1 1 48 24 1  o 0.2826000      0.8630000     ?             ?      
1 1 1 48 24 2  o -0.5293000     0.8634000     ?             ?      
1 1 1 48 24 3  o -0.8550000     0.8732000     ?             ?      
1 1 1 48 24 4  o -0.2849000     0.8807000     ?             ?      
1 1 1 48 24 5  o 0.2834000      0.8769000     ?             ?      
1 1 1 48 24 6  o 0.7038000      0.9539000     ?             ?      
1 1 1 48 24 7  o 0.2265000      0.8796000     ?             ?      
1 1 1 48 24 8  o 0.5704000      0.8831000     ?             ?      
1 1 1 48 24 9  o -0.4930000     0.9795000     ?             ?      
1 1 1 48 24 10 o -0.7144000     0.9860000     ?             ?      
1 1 1 48 24 11 o 0.7310000      1.004000      ?             ?      
1 1 1 48 24 12 o 1.314000       1.115000      ?             ?      
1 1 1 48 24 13 o 0.5352000E-01  1.335000      ?             ?      
1 1 1 48 24 14 o -0.7488000     1.152000      ?             ?      
1 1 1 48 24 15 o -0.6728000     1.153000      ?             ?      
1 1 1 48 24 16 o 0.3216000      1.057000      ?             ?      
1 1 1 48 24 17 o -0.4149000     1.058000      ?             ?      
1 1 1 48 24 18 o 0.9657000      1.190000      ?             ?      
1 1 1 48 24 19 o -0.9851000     1.203000      ?             ?      
1 1 1 48 24 20 o 0.3062000      1.460000      ?             ?      
1 1 1 48 24 21 o -1.384000      1.449000      ?             ?      
1 1 1 48 24 22 o 0.1806000      1.343000      ?             ?      
1 1 1 48 24 23 o -0.7479000     1.323000      ?             ?      
1 1 1 48 24 24 o -0.1174000     1.189000      ?             ?      
1 1 1 48 24 25 o 1.481000       1.303000      ?             ?      
1 1 1 48 24 26 o 0.3347000      1.553000      ?             ?      
1 1 1 48 24 27 o 0.2251000      2.235000      ?             ?      
1 1 1 48 24 28 < 0.000000       -1.000000     ?             ?      
1 1 1 48 25 0  o 2.844000       1.235000      ?             ?      
1 1 1 48 25 1  o 0.2423000      0.8709000     ?             ?      
1 1 1 48 25 2  o 0.3846000      0.8693000     ?             ?      
1 1 1 48 25 3  o 1.632000       0.8794000     ?             ?      
1 1 1 48 25 4  o -1.434000      0.8819000     ?             ?      
1 1 1 48 25 5  o 0.7237000      0.8775000     ?             ?      
1 1 1 48 25 6  o -0.7623000E-01 0.9722000     ?             ?      
1 1 1 48 25 7  o 1.058000       0.8959000     ?             ?      
1 1 1 48 25 8  o -0.6439000     0.8813000     ?             ?      
1 1 1 48 25 9  o -0.5421000     1.027000      ?             ?      
1 1 1 48 25 10 o 0.8727000      0.9644000     ?             ?      
1 1 1 48 25 11 o 1.431000       0.9684000     ?             ?      
1 1 1 48 25 12 o -0.8899000     1.083000      ?             ?      
1 1 1 48 25 13 o -0.5975000     0.9947000     ?             ?      
1 1 1 48 25 14 o 0.9017000      1.072000      ?             ?      
1 1 1 48 25 15 o -1.172000      1.207000      ?             ?      
1 1 1 48 25 16 o 0.9202000E-01  1.240000      ?             ?      
1 1 1 48 25 17 o -1.237000      1.199000      ?             ?      
1 1 1 48 25 18 o 0.4417000      1.208000      ?             ?      
1 1 1 48 25 19 o -0.4851000     1.441000      ?             ?      
1 1 1 48 25 20 o 0.1976000      1.439000      ?             ?      
1 1 1 48 25 21 o -0.2374000     1.282000      ?             ?      
1 1 1 48 25 22 o -0.3702000     1.218000      ?             ?      
1 1 1 48 25 23 o -1.149000      1.202000      ?             ?      
1 1 1 48 25 24 o -0.3633000     1.337000      ?             ?      
1 1 1 48 25 25 o -3.240000      2.221000      ?             ?      
1 1 1 48 25 26 o 3.231000       2.164000      ?             ?      
1 1 1 48 25 27 < 0.000000       -1.000000     ?             ?      
1 1 1 48 26 0  o -1.889000      1.233000      ?             ?      
1 1 1 48 26 1  o 0.6452000      0.8818000     ?             ?      
1 1 1 48 26 2  o -0.5190000     0.8779000     ?             ?      
1 1 1 48 26 3  o 0.2556000      0.8835000     ?             ?      
1 1 1 48 26 4  o 0.2764000      0.8898000     ?             ?      
1 1 1 48 26 5  o 1.237000       0.8826000     ?             ?      
1 1 1 48 26 6  o -0.9701000     0.8837000     ?             ?      
1 1 1 48 26 7  o -0.7251000E-01 0.8921000     ?             ?      
1 1 1 48 26 8  o 0.2328000      0.9152000     ?             ?      
1 1 1 48 26 9  o 1.555000       1.018000      ?             ?      
1 1 1 48 26 10 o -1.482000      1.012000      ?             ?      
1 1 1 48 26 11 o -0.1472000     0.9795000     ?             ?      
1 1 1 48 26 12 o -0.7507000     0.9652000     ?             ?      
1 1 1 48 26 13 o 0.4697000      0.9810000     ?             ?      
1 1 1 48 26 14 o 1.185000       0.9845000     ?             ?      
1 1 1 48 26 15 o -0.8015000     1.057000      ?             ?      
1 1 1 48 26 16 o 0.5138000      1.200000      ?             ?      
1 1 1 48 26 17 o 0.6690000      1.234000      ?             ?      
1 1 1 48 26 18 o -1.235000      1.457000      ?             ?      
1 1 1 48 26 19 o -1.103000      1.484000      ?             ?      
1 1 1 48 26 20 o 0.1808000      1.548000      ?             ?      
1 1 1 48 26 21 f 3.204000       1.576000      ?             ?      
1 1 1 48 26 22 o 0.1254000      1.192000      ?             ?      
1 1 1 48 26 23 o 0.6864000      1.204000      ?             ?      
1 1 1 48 26 24 o -0.5475000     2.181000      ?             ?      
1 1 1 48 26 25 o -1.721000      2.220000      ?             ?      
1 1 1 48 27 0  o -0.7005000     1.248000      ?             ?      
1 1 1 48 27 1  o 1.431000       0.8957000     ?             ?      
1 1 1 48 27 2  o 1.162000       0.8927000     ?             ?      
1 1 1 48 27 3  o -0.8113000     0.8921000     ?             ?      
1 1 1 48 27 4  o 1.449000       0.8930000     ?             ?      
1 1 1 48 27 5  o -0.3152000     0.9102000     ?             ?      
1 1 1 48 27 6  o 0.6243000      0.9003000     ?             ?      
1 1 1 48 27 7  o -0.8826000     0.8981000     ?             ?      
1 1 1 48 27 8  o 0.9689000E-01  1.046000      ?             ?      
1 1 1 48 27 9  o -0.5726000     1.019000      ?             ?      
1 1 1 48 27 10 o -0.6767000     1.037000      ?             ?      
1 1 1 48 27 11 o -0.6258000     0.9797000     ?             ?      
1 1 1 48 27 12 o -2.041000      0.9806000     ?             ?      
1 1 1 48 27 13 o -0.2600000     0.9785000     ?             ?      
1 1 1 48 27 14 o -0.7528000     1.684000      ?             ?      
1 1 1 48 27 15 o 1.010000       1.072000      ?             ?      
1 1 1 48 27 16 o 1.611000       1.202000      ?             ?      
1 1 1 48 27 17 o -1.132000      1.477000      ?             ?      
1 1 1 48 27 18 o 0.8138000      1.475000      ?             ?      
1 1 1 48 27 19 o 0.5297000      1.312000      ?             ?      
1 1 1 48 27 20 o 0.3286000      1.293000      ?             ?      
1 1 1 48 27 21 o 0.2813000      1.417000      ?             ?      
1 1 1 48 27 22 o 0.1259000      1.582000      ?             ?      
1 1 1 48 27 23 o -0.8965000     2.114000      ?             ?      
1 1 1 48 27 24 o 1.688000       1.907000      ?             ?      
1 1 1 48 28 0  o -0.2072000     1.269000      ?             ?      
1 1 1 48 28 1  o -0.6734000     0.9379000     ?             ?      
1 1 1 48 28 2  o 0.4812000      0.9064000     ?             ?      
1 1 1 48 28 3  o 0.5107000      0.9092000     ?             ?      
1 1 1 48 28 4  o 0.6597000      0.9146000     ?             ?      
1 1 1 48 28 5  o 0.3380000E-01  0.9931000     ?             ?      
1 1 1 48 28 6  o 0.2855000      0.9522000     ?             ?      
1 1 1 48 28 7  o 0.6854000E-01  0.9096000     ?             ?      
1 1 1 48 28 8  o 1.172000       1.038000      ?             ?      
1 1 1 48 28 9  o -0.5250000     1.026000      ?             ?      
1 1 1 48 28 10 o 0.7239000      1.030000      ?             ?      
1 1 1 48 28 11 o 0.3004000      1.036000      ?             ?      
1 1 1 48 28 12 o -0.6771000     0.9872000     ?             ?      
1 1 1 48 28 13 o -0.2925000     0.9923000     ?             ?      
1 1 1 48 28 14 f -1.472000      1.015000      ?             ?      
1 1 1 48 28 15 o -0.3168000     1.023000      ?             ?      
1 1 1 48 28 16 o 0.3026000      1.476000      ?             ?      
1 1 1 48 28 17 o 0.5120000      1.475000      ?             ?      
1 1 1 48 28 18 o -1.735000      1.485000      ?             ?      
1 1 1 48 28 19 o 0.1082000      1.295000      ?             ?      
1 1 1 48 28 20 o 0.6183000      1.317000      ?             ?      
1 1 1 48 28 21 o 0.1565000      1.521000      ?             ?      
1 1 1 48 28 22 o -1.056000      1.617000      ?             ?      
1 1 1 48 29 0  o 1.066000       1.278000      ?             ?      
1 1 1 48 29 1  o -1.066000      0.9086000     ?             ?      
1 1 1 48 29 2  o 0.3052000E-01  1.315000      ?             ?      
1 1 1 48 29 3  o -0.6808000     0.9172000     ?             ?      
1 1 1 48 29 4  o -1.923000      0.9114000     ?             ?      
1 1 1 48 29 5  o -1.151000      1.000000      ?             ?      
1 1 1 48 29 6  o -0.4361000     0.9115000     ?             ?      
1 1 1 48 29 7  o -0.2711000     0.9554000     ?             ?      
1 1 1 48 29 8  o 0.1639000      1.060000      ?             ?      
1 1 1 48 29 9  o -1.386000      1.042000      ?             ?      
1 1 1 48 29 10 o -0.9098000     1.776000      ?             ?      
1 1 1 48 29 11 o 0.2508000      1.071000      ?             ?      
1 1 1 48 29 12 o -0.4371000E-01 1.055000      ?             ?      
1 1 1 48 29 13 o 0.2009000E-01  1.011000      ?             ?      
1 1 1 48 29 14 o 1.296000       1.107000      ?             ?      
1 1 1 48 29 15 f -0.8594000     1.491000      ?             ?      
1 1 1 48 29 16 o -0.3925000     1.519000      ?             ?      
1 1 1 48 29 17 o 0.6025000      1.495000      ?             ?      
1 1 1 48 29 18 o -2.074000      1.458000      ?             ?      
1 1 1 48 29 19 o -1.050000      1.253000      ?             ?      
1 1 1 48 29 20 o 0.8528000      1.537000      ?             ?      
1 1 1 48 29 21 < 0.000000       -1.000000     ?             ?      
1 1 1 48 30 0  o -1.167000      1.306000      ?             ?      
1 1 1 48 30 1  o 0.5563000      0.9266000     ?             ?      
1 1 1 48 30 2  o 0.2648000      0.9325000     ?             ?      
1 1 1 48 30 3  o -0.1121000     0.9224000     ?             ?      
1 1 1 48 30 4  o 0.5854000      0.9199000     ?             ?      
1 1 1 48 30 5  o 0.5669000      0.9331000     ?             ?      
1 1 1 48 30 6  o -0.8697000     0.9153000     ?             ?      
1 1 1 48 30 7  o -0.7169000     0.9419000     ?             ?      
1 1 1 48 30 8  o -0.9968000E-01 1.210000      ?             ?      
1 1 1 48 30 9  o 0.3804000      1.031000      ?             ?      
1 1 1 48 30 10 o 0.6820000      1.042000      ?             ?      
1 1 1 48 30 11 o -0.8026000E-01 1.050000      ?             ?      
1 1 1 48 30 12 o -0.9370000     1.078000      ?             ?      
1 1 1 48 30 13 o -0.4497000     1.194000      ?             ?      
1 1 1 48 30 14 o -1.757000      1.304000      ?             ?      
1 1 1 48 30 15 o 1.501000       1.547000      ?             ?      
1 1 1 48 30 16 o -4.293000      3.743000      ?             ?      
1 1 1 48 30 17 o 1.164000       1.537000      ?             ?      
1 1 1 48 30 18 o 0.3036000      1.525000      ?             ?      
1 1 1 48 31 0  o -0.9775000     1.298000      ?             ?      
1 1 1 48 31 1  o -0.1426000E-01 0.9288000     ?             ?      
1 1 1 48 31 2  o 0.3097000E-01  0.9282000     ?             ?      
1 1 1 48 31 3  o 0.1655000      0.9400000     ?             ?      
1 1 1 48 31 4  o -0.6398000E-01 0.9313000     ?             ?      
1 1 1 48 31 5  o 0.3194000E-01  0.9266000     ?             ?      
1 1 1 48 31 6  o -0.3108000     0.9289000     ?             ?      
1 1 1 48 31 7  o -0.5370000E-01 1.015000      ?             ?      
1 1 1 48 31 8  o 0.6707000      1.049000      ?             ?      
1 1 1 48 31 9  o 0.6574000      1.064000      ?             ?      
1 1 1 48 31 10 o -1.032000      1.043000      ?             ?      
1 1 1 48 31 11 o -0.3995000     1.064000      ?             ?      
1 1 1 48 31 12 o -1.188000      1.180000      ?             ?      
1 1 1 48 31 13 o -1.506000      1.054000      ?             ?      
1 1 1 48 31 14 o -1.263000      1.957000      ?             ?      
1 1 1 48 31 15 o 1.913000       2.020000      ?             ?      
1 1 1 48 31 16 o -2.159000      2.275000      ?             ?      
1 1 1 48 32 0  o -1.183000      1.295000      ?             ?      
1 1 1 48 32 1  o 0.6919000      0.9312000     ?             ?      
1 1 1 48 32 2  o -0.8964000     0.9326000     ?             ?      
1 1 1 48 32 3  o -0.2984000     0.9378000     ?             ?      
1 1 1 48 32 4  o 0.4068000      1.030000      ?             ?      
1 1 1 48 32 5  o -0.1285000     0.9405000     ?             ?      
1 1 1 48 32 6  o -0.2164000     0.9864000     ?             ?      
1 1 1 48 32 7  o -0.5574000     1.082000      ?             ?      
1 1 1 48 32 8  o 0.8610000      1.059000      ?             ?      
1 1 1 48 32 9  o 0.7685000      1.132000      ?             ?      
1 1 1 48 32 10 o -1.128000      1.159000      ?             ?      
1 1 1 48 32 11 o 2.452000       3.599000      ?             ?      
1 1 1 48 32 12 o -1.761000      1.068000      ?             ?      
1 1 1 48 32 13 o 0.2569000      1.183000      ?             ?      
1 1 1 48 32 14 < 0.000000       -1.000000     ?             ?      
1 1 1 48 33 0  o 0.1775000      1.326000      ?             ?      
1 1 1 48 33 1  o 1.324000       1.346000      ?             ?      
1 1 1 48 33 2  o 1.375000       0.9540000     ?             ?      
1 1 1 48 33 3  o -1.296000      0.9786000     ?             ?      
1 1 1 48 33 4  o 0.2879000      1.093000      ?             ?      
1 1 1 48 33 5  o 0.6211000      1.039000      ?             ?      
1 1 1 48 33 6  o -0.9994000     1.754000      ?             ?      
1 1 1 48 33 7  o -3.024000      2.652000      ?             ?      
1 1 1 48 33 8  o 1.499000       1.476000      ?             ?      
1 1 1 48 33 9  o -1.501000      1.474000      ?             ?      
1 1 1 48 33 10 o -0.3321000     1.842000      ?             ?      
1 1 1 48 34 0  o 2.670000       1.765000      ?             ?      
1 1 1 48 34 1  o -0.3340000     1.245000      ?             ?      
1 1 1 48 34 2  o 2.419000       1.998000      ?             ?      
1 1 1 48 34 3  o 0.5638000      1.723000      ?             ?      
1 1 1 48 34 4  o -1.943000      2.354000      ?             ?      
1 1 1 48 34 5  o -1.550000      2.322000      ?             ?      
1 1 1 49 0  1  o 0.2599000      1.129000      ?             ?      
1 1 1 49 0  2  o 0.5945000E-01  1.141000      ?             ?      
1 1 1 49 0  3  o 0.3602000      1.145000      ?             ?      
1 1 1 49 0  4  o -0.8963000     1.141000      ?             ?      
1 1 1 49 0  5  o 0.1695000      1.148000      ?             ?      
1 1 1 49 0  6  o -0.2831000     1.161000      ?             ?      
1 1 1 49 0  7  o -0.4702000E-01 1.208000      ?             ?      
1 1 1 49 0  8  o -1.149000      1.205000      ?             ?      
1 1 1 49 0  9  o 0.5100000      1.207000      ?             ?      
1 1 1 49 0  10 o -1.992000      1.205000      ?             ?      
1 1 1 49 0  11 o -0.4300000     1.207000      ?             ?      
1 1 1 49 0  12 o 0.1815000      1.213000      ?             ?      
1 1 1 49 0  13 o -0.6357000     1.250000      ?             ?      
1 1 1 49 0  14 o 1.138000       1.236000      ?             ?      
1 1 1 49 0  15 o -0.3455000     1.239000      ?             ?      
1 1 1 49 0  16 o 0.6288000      1.262000      ?             ?      
1 1 1 49 0  17 o -0.3300000     1.284000      ?             ?      
1 1 1 49 0  18 o 0.1877000      1.272000      ?             ?      
1 1 1 49 0  19 o 0.1966000      1.278000      ?             ?      
1 1 1 49 0  20 o -2.868000      1.521000      ?             ?      
1 1 1 49 0  21 o -1.354000      1.361000      ?             ?      
1 1 1 49 0  22 o 1.313000       1.301000      ?             ?      
1 1 1 49 0  23 o -2.234000      1.292000      ?             ?      
1 1 1 49 0  24 o 1.233000       1.338000      ?             ?      
1 1 1 49 0  25 o -0.9619000     1.320000      ?             ?      
1 1 1 49 0  26 o 1.479000       1.325000      ?             ?      
1 1 1 49 0  27 o 4.470000       1.632000      ?             ?      
1 1 1 49 0  28 o -0.6648000E-01 1.599000      ?             ?      
1 1 1 49 0  29 o -1.012000      1.599000      ?             ?      
1 1 1 49 0  30 o 3.144000       2.245000      ?             ?      
1 1 1 49 0  31 o -0.5586000     1.901000      ?             ?      
1 1 1 49 0  32 o -1.668000      2.125000      ?             ?      
1 1 1 49 0  33 o -0.2512000     1.696000      ?             ?      
1 1 1 49 0  34 o 2.609000       1.793000      ?             ?      
1 1 1 49 0  35 o -0.8606000     1.621000      ?             ?      
1 1 1 49 0  36 o 2.682000       1.623000      ?             ?      
1 1 1 49 0  37 o 1.176000       3.166000      ?             ?      
1 1 1 49 1  0  o 0.9944000      1.119000      ?             ?      
1 1 1 49 1  1  o -0.1728000E-01 0.8045000     ?             ?      
1 1 1 49 1  2  o -0.2180000     0.8116000     ?             ?      
1 1 1 49 1  3  o 0.5954000E-03  0.8148000     ?             ?      
1 1 1 49 1  4  o 0.5424000      0.8140000     ?             ?      
1 1 1 49 1  5  o 0.4798000      0.8243000     ?             ?      
1 1 1 49 1  6  o -0.9162000     0.8376000     ?             ?      
1 1 1 49 1  7  o 0.4721000      0.8529000     ?             ?      
1 1 1 49 1  8  o -0.1489000     0.8507000     ?             ?      
1 1 1 49 1  9  o -1.255000      0.8534000     ?             ?      
1 1 1 49 1  10 o 0.1358000      0.8596000     ?             ?      
1 1 1 49 1  11 o -0.9700000     0.8612000     ?             ?      
1 1 1 49 1  12 o -0.5733000     0.8600000     ?             ?      
1 1 1 49 1  13 o -0.5941000     0.8609000     ?             ?      
1 1 1 49 1  14 f 0.2215000E-01  0.8723000     ?             ?      
1 1 1 49 1  15 o -0.3541000     0.8888000     ?             ?      
1 1 1 49 1  16 o 0.9596000      0.8946000     ?             ?      
1 1 1 49 1  17 o -0.3989000     0.8916000     ?             ?      
1 1 1 49 1  18 o -1.246000      0.8935000     ?             ?      
1 1 1 49 1  19 o 0.1630000      0.9213000     ?             ?      
1 1 1 49 1  20 o -0.4667000E-01 0.9801000     ?             ?      
1 1 1 49 1  21 o -0.5384000     1.006000      ?             ?      
1 1 1 49 1  22 o -0.2032000     0.9278000     ?             ?      
1 1 1 49 1  23 o -1.933000      0.9258000     ?             ?      
1 1 1 49 1  24 o -0.3976000     0.9345000     ?             ?      
1 1 1 49 1  25 o 0.6781000      0.9349000     ?             ?      
1 1 1 49 1  26 o 0.1215000      0.9299000     ?             ?      
1 1 1 49 1  27 o -0.2544000     1.137000      ?             ?      
1 1 1 49 1  28 o 0.6696000      1.294000      ?             ?      
1 1 1 49 1  29 o -0.9147000     1.359000      ?             ?      
1 1 1 49 1  30 o -0.1001000     1.357000      ?             ?      
1 1 1 49 1  31 o 0.7136000E-01  1.108000      ?             ?      
1 1 1 49 1  32 o 0.2612000      1.154000      ?             ?      
1 1 1 49 1  33 o 0.2818000E-01  1.255000      ?             ?      
1 1 1 49 1  34 o 0.1172000      1.081000      ?             ?      
1 1 1 49 1  35 o -0.4553000     1.134000      ?             ?      
1 1 1 49 1  36 o -0.1299000     1.762000      ?             ?      
1 1 1 49 1  37 < 0.000000       -1.000000     ?             ?      
1 1 1 49 2  0  o -0.1843000     1.111000      ?             ?      
1 1 1 49 2  1  o -0.1201000     0.7922000     ?             ?      
1 1 1 49 2  2  o -0.2706000E-01 0.8016000     ?             ?      
1 1 1 49 2  3  o -0.6294000     0.8037000     ?             ?      
1 1 1 49 2  4  o -0.3478000     0.8155000     ?             ?      
1 1 1 49 2  5  o 0.7836000      0.8182000     ?             ?      
1 1 1 49 2  6  o 0.1073000      0.8328000     ?             ?      
1 1 1 49 2  7  o -0.3783000     0.8561000     ?             ?      
1 1 1 49 2  8  o -1.712000      0.8581000     ?             ?      
1 1 1 49 2  9  o 0.3196000      0.8591000     ?             ?      
1 1 1 49 2  10 o -0.8928000     0.8567000     ?             ?      
1 1 1 49 2  11 o 0.8922000      0.8626000     ?             ?      
1 1 1 49 2  12 o -0.5981000     0.8722000     ?             ?      
1 1 1 49 2  13 o -0.1345000     0.8750000     ?             ?      
1 1 1 49 2  14 o -0.5676000E-01 0.8874000     ?             ?      
1 1 1 49 2  15 o -0.3698000     0.8813000     ?             ?      
1 1 1 49 2  16 o -0.3895000     0.8925000     ?             ?      
1 1 1 49 2  17 o -1.110000      0.8908000     ?             ?      
1 1 1 49 2  18 o -0.8274000E-01 0.9054000     ?             ?      
1 1 1 49 2  19 o -1.012000      1.016000      ?             ?      
1 1 1 49 2  20 o 1.836000       0.9851000     ?             ?      
1 1 1 49 2  21 o 0.1761000      0.9797000     ?             ?      
1 1 1 49 2  22 o -1.908000      0.9485000     ?             ?      
1 1 1 49 2  23 o -0.3046000     0.9360000     ?             ?      
1 1 1 49 2  24 o 0.1632000      0.9230000     ?             ?      
1 1 1 49 2  25 o -0.2378000     0.9379000     ?             ?      
1 1 1 49 2  26 o 0.3073000      1.028000      ?             ?      
1 1 1 49 2  27 o -1.498000      1.175000      ?             ?      
1 1 1 49 2  28 o 1.790000       1.235000      ?             ?      
1 1 1 49 2  29 o 0.3670000      1.277000      ?             ?      
1 1 1 49 2  30 o -1.081000      1.285000      ?             ?      
1 1 1 49 2  31 o 1.585000       1.089000      ?             ?      
1 1 1 49 2  32 o 0.2817000      1.154000      ?             ?      
1 1 1 49 2  33 o -1.246000      1.171000      ?             ?      
1 1 1 49 2  34 o 0.1890000      1.127000      ?             ?      
1 1 1 49 2  35 o -1.195000      1.098000      ?             ?      
1 1 1 49 2  36 o -0.4922000     1.125000      ?             ?      
1 1 1 49 3  0  o 1.309000       1.138000      ?             ?      
1 1 1 49 3  1  o -0.4794000     0.7952000     ?             ?      
1 1 1 49 3  2  o 0.5909000      0.7922000     ?             ?      
1 1 1 49 3  3  o 0.4124000      0.8036000     ?             ?      
1 1 1 49 3  4  o 0.8864000      0.8096000     ?             ?      
1 1 1 49 3  5  o 0.1592000      0.8309000     ?             ?      
1 1 1 49 3  6  o -0.5817000     0.8279000     ?             ?      
1 1 1 49 3  7  o -0.1563000     0.8433000     ?             ?      
1 1 1 49 3  8  o 0.6653000      0.8597000     ?             ?      
1 1 1 49 3  9  o -0.6517000     0.8662000     ?             ?      
1 1 1 49 3  10 o -0.2376000E-01 0.8675000     ?             ?      
1 1 1 49 3  11 o -0.1906000     0.8721000     ?             ?      
1 1 1 49 3  12 o -0.3967000     0.8756000     ?             ?      
1 1 1 49 3  13 o 1.990000       0.8892000     ?             ?      
1 1 1 49 3  14 o 0.6456000      0.8847000     ?             ?      
1 1 1 49 3  15 o 0.9881000      0.8923000     ?             ?      
1 1 1 49 3  16 o -0.6959000     0.8936000     ?             ?      
1 1 1 49 3  17 o 1.330000       0.8938000     ?             ?      
1 1 1 49 3  18 o 1.018000       0.9181000     ?             ?      
1 1 1 49 3  19 o -0.3290000     0.9887000     ?             ?      
1 1 1 49 3  20 o -1.124000      0.9739000     ?             ?      
1 1 1 49 3  21 o -0.7650000     0.9698000     ?             ?      
1 1 1 49 3  22 o -0.3103000E-01 1.015000      ?             ?      
1 1 1 49 3  23 o -0.2585000     1.025000      ?             ?      
1 1 1 49 3  24 o 0.9507000      1.050000      ?             ?      
1 1 1 49 3  25 o -0.8496000     0.9740000     ?             ?      
1 1 1 49 3  26 o -1.199000      1.108000      ?             ?      
1 1 1 49 3  27 f -0.1784000     1.092000      ?             ?      
1 1 1 49 3  28 o -1.148000      1.145000      ?             ?      
1 1 1 49 3  29 o 0.3754000E-01  1.370000      ?             ?      
1 1 1 49 3  30 o -0.4457000     2.261000      ?             ?      
1 1 1 49 3  31 o -2.017000      1.129000      ?             ?      
1 1 1 49 3  32 o -2.797000      1.191000      ?             ?      
1 1 1 49 3  33 o 0.2309000      1.154000      ?             ?      
1 1 1 49 3  34 o 0.5588000      1.044000      ?             ?      
1 1 1 49 3  35 o -0.8921000     1.198000      ?             ?      
1 1 1 49 3  36 o 0.3185000      1.073000      ?             ?      
1 1 1 49 4  0  o 0.1883000      1.110000      ?             ?      
1 1 1 49 4  1  o -0.4798000     0.7845000     ?             ?      
1 1 1 49 4  2  o -0.8208000     0.7838000     ?             ?      
1 1 1 49 4  3  o -1.037000      0.7896000     ?             ?      
1 1 1 49 4  4  o 0.9779000      0.8109000     ?             ?      
1 1 1 49 4  5  o 0.6059000      0.8281000     ?             ?      
1 1 1 49 4  6  o 1.078000       0.8274000     ?             ?      
1 1 1 49 4  7  o -0.2086000E-01 0.8348000     ?             ?      
1 1 1 49 4  8  o -0.1098000     0.8584000     ?             ?      
1 1 1 49 4  9  o -0.6934000     0.8651000     ?             ?      
1 1 1 49 4  10 o 1.167000       0.8711000     ?             ?      
1 1 1 49 4  11 o -0.2794000     0.8829000     ?             ?      
1 1 1 49 4  12 o 0.7467000      0.8828000     ?             ?      
1 1 1 49 4  13 o -0.4195000     0.8922000     ?             ?      
1 1 1 49 4  14 o -0.9450000     0.8884000     ?             ?      
1 1 1 49 4  15 o -1.219000      0.8952000     ?             ?      
1 1 1 49 4  16 o 0.2929000E-01  0.8929000     ?             ?      
1 1 1 49 4  17 o -0.2682000     0.9019000     ?             ?      
1 1 1 49 4  18 o 0.6169000      1.014000      ?             ?      
1 1 1 49 4  19 o 0.1728000      0.9767000     ?             ?      
1 1 1 49 4  20 o -1.467000      0.9666000     ?             ?      
1 1 1 49 4  21 o 2.000000       0.9830000     ?             ?      
1 1 1 49 4  22 o -2.258000      1.001000      ?             ?      
1 1 1 49 4  23 o 0.6933000      1.069000      ?             ?      
1 1 1 49 4  24 o 0.7277000      0.9627000     ?             ?      
1 1 1 49 4  25 o -1.788000      0.9372000     ?             ?      
1 1 1 49 4  26 o 0.6927000      1.036000      ?             ?      
1 1 1 49 4  27 o 1.526000       1.029000      ?             ?      
1 1 1 49 4  28 o -0.9818000     1.196000      ?             ?      
1 1 1 49 4  29 o -1.164000      1.380000      ?             ?      
1 1 1 49 4  30 o -2.026000      1.509000      ?             ?      
1 1 1 49 4  31 o -2.982000      1.523000      ?             ?      
1 1 1 49 4  32 o 0.7844000      1.099000      ?             ?      
1 1 1 49 4  33 o 0.3031000      1.140000      ?             ?      
1 1 1 49 4  34 o 0.1603000      1.128000      ?             ?      
1 1 1 49 4  35 o -0.7497000     1.000000      ?             ?      
1 1 1 49 4  36 o -1.917000      1.605000      ?             ?      
1 1 1 49 5  0  o 0.3663000      1.130000      ?             ?      
1 1 1 49 5  1  o -0.3206000     0.7927000     ?             ?      
1 1 1 49 5  2  o 0.3893000      0.7799000     ?             ?      
1 1 1 49 5  3  o 0.5118000      0.7886000     ?             ?      
1 1 1 49 5  4  o -0.3944000     0.8075000     ?             ?      
1 1 1 49 5  5  o 0.6847000      0.8173000     ?             ?      
1 1 1 49 5  6  o -0.2592000     0.8286000     ?             ?      
1 1 1 49 5  7  o 0.6478000E-01  0.8259000     ?             ?      
1 1 1 49 5  8  o 0.8950000      0.8364000     ?             ?      
1 1 1 49 5  9  o 0.7737000      0.8673000     ?             ?      
1 1 1 49 5  10 o -0.7206000     0.8729000     ?             ?      
1 1 1 49 5  11 o -0.9292000     0.8814000     ?             ?      
1 1 1 49 5  12 o 0.1252000      0.8802000     ?             ?      
1 1 1 49 5  13 o -0.8615000E-01 0.8861000     ?             ?      
1 1 1 49 5  14 o -0.2908000     0.8942000     ?             ?      
1 1 1 49 5  15 o -0.1917000     0.8920000     ?             ?      
1 1 1 49 5  16 o -0.4685000     0.8840000     ?             ?      
1 1 1 49 5  17 o -1.174000      0.9183000     ?             ?      
1 1 1 49 5  18 o -0.1674000     0.9843000     ?             ?      
1 1 1 49 5  19 o 0.1809000E-01  1.004000      ?             ?      
1 1 1 49 5  20 o 0.1156000      0.9992000     ?             ?      
1 1 1 49 5  21 o 0.6239000      0.9953000     ?             ?      
1 1 1 49 5  22 o -2.202000      0.9897000     ?             ?      
1 1 1 49 5  23 o -1.468000      0.9895000     ?             ?      
1 1 1 49 5  24 o 1.128000       0.9609000     ?             ?      
1 1 1 49 5  25 o 0.1890000      0.9438000     ?             ?      
1 1 1 49 5  26 o -2.055000      1.029000      ?             ?      
1 1 1 49 5  27 o 1.375000       1.085000      ?             ?      
1 1 1 49 5  28 o -0.5754000     1.835000      ?             ?      
1 1 1 49 5  29 o 0.1979000      1.312000      ?             ?      
1 1 1 49 5  30 o 0.1389000      1.522000      ?             ?      
1 1 1 49 5  31 o -1.502000      1.398000      ?             ?      
1 1 1 49 5  32 o -2.673000      1.076000      ?             ?      
1 1 1 49 5  33 o -1.674000      1.127000      ?             ?      
1 1 1 49 5  34 o 1.106000       1.030000      ?             ?      
1 1 1 49 5  35 o 0.5863000      1.000000      ?             ?      
1 1 1 49 5  36 o 0.9417000      1.477000      ?             ?      
1 1 1 49 6  0  o 0.3149000      1.124000      ?             ?      
1 1 1 49 6  1  o 0.2441000      0.7901000     ?             ?      
1 1 1 49 6  2  o -0.4847000     0.7867000     ?             ?      
1 1 1 49 6  3  o 0.6034000      0.7902000     ?             ?      
1 1 1 49 6  4  o -0.2643000     0.8053000     ?             ?      
1 1 1 49 6  5  o -1.121000      0.8156000     ?             ?      
1 1 1 49 6  6  o -1.222000      0.8164000     ?             ?      
1 1 1 49 6  7  o -1.274000      0.8231000     ?             ?      
1 1 1 49 6  8  o -0.7515000     0.8348000     ?             ?      
1 1 1 49 6  9  o -0.2560000     0.8535000     ?             ?      
1 1 1 49 6  10 o 1.446000       0.8732000     ?             ?      
1 1 1 49 6  11 o 0.8011000      0.8704000     ?             ?      
1 1 1 49 6  12 o -0.3240000     0.8872000     ?             ?      
1 1 1 49 6  13 o -0.2789000     0.8891000     ?             ?      
1 1 1 49 6  14 o -0.6878000     0.8835000     ?             ?      
1 1 1 49 6  15 o 1.321000       0.8898000     ?             ?      
1 1 1 49 6  16 o -0.3231000     0.9026000     ?             ?      
1 1 1 49 6  17 o -0.4634000E-01 1.070000      ?             ?      
1 1 1 49 6  18 o -0.2680000     1.036000      ?             ?      
1 1 1 49 6  19 o -0.8581000     0.9908000     ?             ?      
1 1 1 49 6  20 o 0.6407000      0.9833000     ?             ?      
1 1 1 49 6  21 o -0.7638000     0.9797000     ?             ?      
1 1 1 49 6  22 o -0.4614000     0.9797000     ?             ?      
1 1 1 49 6  23 o -0.1626000     0.9961000     ?             ?      
1 1 1 49 6  24 o 0.6563000      1.042000      ?             ?      
1 1 1 49 6  25 o 1.031000       0.9455000     ?             ?      
1 1 1 49 6  26 o -0.3721000     1.033000      ?             ?      
1 1 1 49 6  27 o -0.6839000     1.083000      ?             ?      
1 1 1 49 6  28 o 1.463000       1.220000      ?             ?      
1 1 1 49 6  29 o 0.7185000      1.511000      ?             ?      
1 1 1 49 6  30 o -1.275000      1.329000      ?             ?      
1 1 1 49 6  31 o 0.2287000      1.356000      ?             ?      
1 1 1 49 6  32 o 0.2045000      1.066000      ?             ?      
1 1 1 49 6  33 o 2.577000       1.082000      ?             ?      
1 1 1 49 6  34 o 0.7342000      1.026000      ?             ?      
1 1 1 49 6  35 o -1.175000      1.052000      ?             ?      
1 1 1 49 6  36 o -0.8879000     2.712000      ?             ?      
1 1 1 49 7  0  o 0.1559000      1.130000      ?             ?      
1 1 1 49 7  1  o 0.1608000      0.8027000     ?             ?      
1 1 1 49 7  2  o 0.1210000      0.7971000     ?             ?      
1 1 1 49 7  3  o -0.3416000     0.8055000     ?             ?      
1 1 1 49 7  4  o 0.8773000      0.8072000     ?             ?      
1 1 1 49 7  5  o -0.9886000     0.8045000     ?             ?      
1 1 1 49 7  6  o 0.1574000      0.8185000     ?             ?      
1 1 1 49 7  7  o -2.314000      0.8220000     ?             ?      
1 1 1 49 7  8  o -1.314000      0.8245000     ?             ?      
1 1 1 49 7  9  o -0.5251000     0.8649000     ?             ?      
1 1 1 49 7  10 o 0.5860000      0.8675000     ?             ?      
1 1 1 49 7  11 o -0.4112000     0.8770000     ?             ?      
1 1 1 49 7  12 o -0.8771000     0.8814000     ?             ?      
1 1 1 49 7  13 o 1.187000       0.8996000     ?             ?      
1 1 1 49 7  14 o -1.368000      0.9440000     ?             ?      
1 1 1 49 7  15 o 0.3023000      0.9507000     ?             ?      
1 1 1 49 7  16 o -0.8367000     0.9458000     ?             ?      
1 1 1 49 7  17 o -1.091000      1.013000      ?             ?      
1 1 1 49 7  18 o 0.5216000      0.9785000     ?             ?      
1 1 1 49 7  19 o -0.7028000     0.9917000     ?             ?      
1 1 1 49 7  20 o -0.2591000     1.019000      ?             ?      
1 1 1 49 7  21 o 0.6239000E-01  0.9776000     ?             ?      
1 1 1 49 7  22 o 0.7607000      0.9987000     ?             ?      
1 1 1 49 7  23 o -0.2261000     0.9939000     ?             ?      
1 1 1 49 7  24 o 0.6902000      1.014000      ?             ?      
1 1 1 49 7  25 o -0.9049000     1.100000      ?             ?      
1 1 1 49 7  26 o -2.000000      1.060000      ?             ?      
1 1 1 49 7  27 o 0.4556000      1.092000      ?             ?      
1 1 1 49 7  28 o 0.7683000      1.558000      ?             ?      
1 1 1 49 7  29 o -0.7318000     1.526000      ?             ?      
1 1 1 49 7  30 o -2.518000      1.341000      ?             ?      
1 1 1 49 7  31 o 2.614000       1.344000      ?             ?      
1 1 1 49 7  32 o -0.4038000     1.053000      ?             ?      
1 1 1 49 7  33 o -0.6814000     0.9954000     ?             ?      
1 1 1 49 7  34 o -0.4794000     1.145000      ?             ?      
1 1 1 49 7  35 o 0.8393000E-01  1.016000      ?             ?      
1 1 1 49 7  36 o 3.777000       2.801000      ?             ?      
1 1 1 49 8  0  o 0.5037000E-02  1.123000      ?             ?      
1 1 1 49 8  1  o 1.202000       0.8047000     ?             ?      
1 1 1 49 8  2  o -0.3530000     0.8008000     ?             ?      
1 1 1 49 8  3  o 1.035000       0.8108000     ?             ?      
1 1 1 49 8  4  o -0.5921000     0.8123000     ?             ?      
1 1 1 49 8  5  o 0.1489000      0.8086000     ?             ?      
1 1 1 49 8  6  o 0.6437000E-01  0.8201000     ?             ?      
1 1 1 49 8  7  o 0.4140000      0.8277000     ?             ?      
1 1 1 49 8  8  o -0.8509000     0.8497000     ?             ?      
1 1 1 49 8  9  o 0.5840000      0.8621000     ?             ?      
1 1 1 49 8  10 o 0.8995000      0.8742000     ?             ?      
1 1 1 49 8  11 o -0.6670000     0.8821000     ?             ?      
1 1 1 49 8  12 o -0.6411000     0.9505000     ?             ?      
1 1 1 49 8  13 o 0.5682000      1.015000      ?             ?      
1 1 1 49 8  14 o 0.2571000      0.9169000     ?             ?      
1 1 1 49 8  15 o 0.2308000      0.9088000     ?             ?      
1 1 1 49 8  16 o -0.2757000     1.026000      ?             ?      
1 1 1 49 8  17 o -0.1613000     0.9915000     ?             ?      
1 1 1 49 8  18 o 1.146000       1.001000      ?             ?      
1 1 1 49 8  19 o -0.2841000     0.9943000     ?             ?      
1 1 1 49 8  20 o 0.7213000      0.9984000     ?             ?      
1 1 1 49 8  21 o -0.2018000     0.9822000     ?             ?      
1 1 1 49 8  22 o 0.1001000      0.9971000     ?             ?      
1 1 1 49 8  23 o 0.3162000      0.9949000     ?             ?      
1 1 1 49 8  24 o -0.3930000     0.9869000     ?             ?      
1 1 1 49 8  25 o -1.709000      1.055000      ?             ?      
1 1 1 49 8  26 o 0.4889000      1.104000      ?             ?      
1 1 1 49 8  27 o -0.8682000     1.085000      ?             ?      
1 1 1 49 8  28 o 0.5815000      1.467000      ?             ?      
1 1 1 49 8  29 o -0.1347000     1.377000      ?             ?      
1 1 1 49 8  30 o -0.3833000     1.362000      ?             ?      
1 1 1 49 8  31 o 0.7533000      1.104000      ?             ?      
1 1 1 49 8  32 o -0.9502000     1.158000      ?             ?      
1 1 1 49 8  33 o 0.9399000      0.9862000     ?             ?      
1 1 1 49 8  34 o -0.2243000     0.9884000     ?             ?      
1 1 1 49 8  35 o -0.7583000     1.030000      ?             ?      
1 1 1 49 9  0  o 1.387000       1.135000      ?             ?      
1 1 1 49 9  1  o 0.2083000      0.8099000     ?             ?      
1 1 1 49 9  2  o -0.5905000     0.8251000     ?             ?      
1 1 1 49 9  3  o 0.6104000      0.8154000     ?             ?      
1 1 1 49 9  4  o -0.2272000     0.8153000     ?             ?      
1 1 1 49 9  5  o 0.2425000      0.8366000     ?             ?      
1 1 1 49 9  6  o -0.9471000E-01 0.8341000     ?             ?      
1 1 1 49 9  7  o -0.3899000     0.8281000     ?             ?      
1 1 1 49 9  8  o -0.8612000     0.8424000     ?             ?      
1 1 1 49 9  9  o 1.129000       0.9011000     ?             ?      
1 1 1 49 9  10 o -0.8568000     0.9273000     ?             ?      
1 1 1 49 9  11 o -1.145000      0.9114000     ?             ?      
1 1 1 49 9  12 o 0.4251000      0.9210000     ?             ?      
1 1 1 49 9  13 o -0.7105000     0.8824000     ?             ?      
1 1 1 49 9  14 o 0.5475000      0.8882000     ?             ?      
1 1 1 49 9  15 o 0.4214000      0.9205000     ?             ?      
1 1 1 49 9  16 o -0.3087000     1.008000      ?             ?      
1 1 1 49 9  17 o -0.9189000     0.9955000     ?             ?      
1 1 1 49 9  18 o 0.5714000      1.007000      ?             ?      
1 1 1 49 9  19 o -0.5891000     1.002000      ?             ?      
1 1 1 49 9  20 o -0.4811000     0.9949000     ?             ?      
1 1 1 49 9  21 o -1.100000      0.9877000     ?             ?      
1 1 1 49 9  22 o -0.2544000     0.9952000     ?             ?      
1 1 1 49 9  23 o -1.365000      1.011000      ?             ?      
1 1 1 49 9  24 o -0.2767000     1.006000      ?             ?      
1 1 1 49 9  25 o 2.392000       1.212000      ?             ?      
1 1 1 49 9  26 o 0.5575000      1.207000      ?             ?      
1 1 1 49 9  27 o 0.7416000      1.293000      ?             ?      
1 1 1 49 9  28 o 1.469000       1.491000      ?             ?      
1 1 1 49 9  29 o -0.1095000     1.296000      ?             ?      
1 1 1 49 9  30 o -0.1965000     1.203000      ?             ?      
1 1 1 49 9  31 o -2.206000      1.094000      ?             ?      
1 1 1 49 9  32 o 0.7448000      1.100000      ?             ?      
1 1 1 49 9  33 o -0.5497000     0.9796000     ?             ?      
1 1 1 49 9  34 o 1.351000       1.023000      ?             ?      
1 1 1 49 9  35 o 1.323000       1.780000      ?             ?      
1 1 1 49 10 0  o 2.471000       1.141000      ?             ?      
1 1 1 49 10 1  o -0.4082000     0.8237000     ?             ?      
1 1 1 49 10 2  o 1.814000       0.8324000     ?             ?      
1 1 1 49 10 3  o 0.3940000      0.8398000     ?             ?      
1 1 1 49 10 4  o 1.183000       0.8423000     ?             ?      
1 1 1 49 10 5  o 0.2122000      0.8134000     ?             ?      
1 1 1 49 10 6  o 0.8836000      0.8230000     ?             ?      
1 1 1 49 10 7  o -0.2995000     0.8894000     ?             ?      
1 1 1 49 10 8  o -2.212000      1.084000      ?             ?      
1 1 1 49 10 9  o -0.3007000     0.8715000     ?             ?      
1 1 1 49 10 10 o 0.7438000      0.8677000     ?             ?      
1 1 1 49 10 11 o -0.8537000     0.8767000     ?             ?      
1 1 1 49 10 12 o 0.8824000      0.8908000     ?             ?      
1 1 1 49 10 13 o 0.6809000      0.8886000     ?             ?      
1 1 1 49 10 14 o 0.2139000      0.8859000     ?             ?      
1 1 1 49 10 15 o -1.256000      1.028000      ?             ?      
1 1 1 49 10 16 o 0.5034000      0.9989000     ?             ?      
1 1 1 49 10 17 o 1.016000       1.000000      ?             ?      
1 1 1 49 10 18 o 1.475000       1.004000      ?             ?      
1 1 1 49 10 19 o -0.5276000     1.008000      ?             ?      
1 1 1 49 10 20 o -0.5360000E-01 1.000000      ?             ?      
1 1 1 49 10 21 o 0.9198000E-01  1.011000      ?             ?      
1 1 1 49 10 22 o -0.4063000     1.022000      ?             ?      
1 1 1 49 10 23 o -0.4336000     1.050000      ?             ?      
1 1 1 49 10 24 o -0.7626000     1.279000      ?             ?      
1 1 1 49 10 25 o -1.252000      1.178000      ?             ?      
1 1 1 49 10 26 o -1.285000      1.272000      ?             ?      
1 1 1 49 10 27 o -0.2453000     1.526000      ?             ?      
1 1 1 49 10 28 o -0.4373000     1.364000      ?             ?      
1 1 1 49 10 29 o 0.5838000      1.383000      ?             ?      
1 1 1 49 10 30 o 0.2871000      1.103000      ?             ?      
1 1 1 49 10 31 o -0.1610000     1.064000      ?             ?      
1 1 1 49 10 32 o 0.7809000E-02  1.109000      ?             ?      
1 1 1 49 10 33 o 0.3319000      0.9930000     ?             ?      
1 1 1 49 10 34 o 1.764000       1.495000      ?             ?      
1 1 1 49 10 35 o 1.050000       2.898000      ?             ?      
1 1 1 49 11 0  o -2.074000      1.185000      ?             ?      
1 1 1 49 11 1  o 0.5787000      0.8428000     ?             ?      
1 1 1 49 11 2  o 0.5390000      0.8233000     ?             ?      
1 1 1 49 11 3  o 0.2128000      0.8246000     ?             ?      
1 1 1 49 11 4  o -0.2455000     0.8775000     ?             ?      
1 1 1 49 11 5  o 0.7744000      0.8883000     ?             ?      
1 1 1 49 11 6  o 0.6759000      0.8610000     ?             ?      
1 1 1 49 11 7  o 0.7666000      0.8277000     ?             ?      
1 1 1 49 11 8  o 1.227000       0.8263000     ?             ?      
1 1 1 49 11 9  o 0.8753000      0.8357000     ?             ?      
1 1 1 49 11 10 o 0.5078000      0.8509000     ?             ?      
1 1 1 49 11 11 o 0.4611000      0.8802000     ?             ?      
1 1 1 49 11 12 o 1.583000       0.8777000     ?             ?      
1 1 1 49 11 13 o -0.4563000     0.8746000     ?             ?      
1 1 1 49 11 14 o 0.2714000      0.9065000     ?             ?      
1 1 1 49 11 15 o 0.4308000      0.9981000     ?             ?      
1 1 1 49 11 16 o -1.290000      0.9887000     ?             ?      
1 1 1 49 11 17 o -0.5065000     0.9943000     ?             ?      
1 1 1 49 11 18 o 0.2275000      1.012000      ?             ?      
1 1 1 49 11 19 o 0.7320000      1.013000      ?             ?      
1 1 1 49 11 20 o 0.1481000      1.043000      ?             ?      
1 1 1 49 11 21 o -1.019000      1.044000      ?             ?      
1 1 1 49 11 22 o -0.6532000     1.043000      ?             ?      
1 1 1 49 11 23 o -0.9621000     1.048000      ?             ?      
1 1 1 49 11 24 o -0.6422000     1.369000      ?             ?      
1 1 1 49 11 25 o -0.3125000     1.420000      ?             ?      
1 1 1 49 11 26 o 0.4056000      1.262000      ?             ?      
1 1 1 49 11 27 o -0.3515000     1.347000      ?             ?      
1 1 1 49 11 28 o -0.3054000     2.076000      ?             ?      
1 1 1 49 11 29 o -0.2662000     1.237000      ?             ?      
1 1 1 49 11 30 o 0.3917000      1.104000      ?             ?      
1 1 1 49 11 31 o 0.7494000E-01  1.068000      ?             ?      
1 1 1 49 11 32 o -0.2770000     0.9945000     ?             ?      
1 1 1 49 11 33 o -0.1988000     0.9921000     ?             ?      
1 1 1 49 11 34 o -0.2176000     1.237000      ?             ?      
1 1 1 49 12 0  o 2.673000       1.183000      ?             ?      
1 1 1 49 12 1  o 0.5074000      0.8243000     ?             ?      
1 1 1 49 12 2  o -0.6503000     0.9190000     ?             ?      
1 1 1 49 12 3  o -1.163000      0.8869000     ?             ?      
1 1 1 49 12 4  o -0.1690000     0.8781000     ?             ?      
1 1 1 49 12 5  o 0.6012000      0.8209000     ?             ?      
1 1 1 49 12 6  o -0.7470000E-01 0.8330000     ?             ?      
1 1 1 49 12 7  o -0.7359000E-01 0.8195000     ?             ?      
1 1 1 49 12 8  o -0.7796000     0.8156000     ?             ?      
1 1 1 49 12 9  o 0.3676000      0.8371000     ?             ?      
1 1 1 49 12 10 o 0.6744000      0.8390000     ?             ?      
1 1 1 49 12 11 o -0.6902000     0.8753000     ?             ?      
1 1 1 49 12 12 o 0.1058000      0.8706000     ?             ?      
1 1 1 49 12 13 o -0.7347000     0.8754000     ?             ?      
1 1 1 49 12 14 o -1.099000      1.011000      ?             ?      
1 1 1 49 12 15 o -1.032000      0.9936000     ?             ?      
1 1 1 49 12 16 o 0.6672000      0.9960000     ?             ?      
1 1 1 49 12 17 o -1.414000      1.001000      ?             ?      
1 1 1 49 12 18 o -2.393000      1.040000      ?             ?      
1 1 1 49 12 19 o 0.4596000      1.056000      ?             ?      
1 1 1 49 12 20 o -0.3036000     1.039000      ?             ?      
1 1 1 49 12 21 o -0.2464000     1.055000      ?             ?      
1 1 1 49 12 22 o 0.9606000      1.148000      ?             ?      
1 1 1 49 12 23 o -0.2598000     1.152000      ?             ?      
1 1 1 49 12 24 o -1.223000      1.160000      ?             ?      
1 1 1 49 12 25 o -1.207000      1.281000      ?             ?      
1 1 1 49 12 26 o 1.144000       1.307000      ?             ?      
1 1 1 49 12 27 o 0.9561000      1.342000      ?             ?      
1 1 1 49 12 28 o 1.396000       2.091000      ?             ?      
1 1 1 49 12 29 o -2.393000      1.584000      ?             ?      
1 1 1 49 12 30 o 0.2343000      1.067000      ?             ?      
1 1 1 49 12 31 o -0.2518000     1.062000      ?             ?      
1 1 1 49 12 32 o -0.9599000     1.005000      ?             ?      
1 1 1 49 12 33 o -0.5219000     1.039000      ?             ?      
1 1 1 49 12 34 o -2.628000      1.913000      ?             ?      
1 1 1 49 13 0  o -1.607000      1.566000      ?             ?      
1 1 1 49 13 1  o -0.8656000E-01 0.9200000     ?             ?      
1 1 1 49 13 2  o 0.8479000      0.8289000     ?             ?      
1 1 1 49 13 3  o 2.258000       0.8341000     ?             ?      
1 1 1 49 13 4  o 0.7157000      0.8474000     ?             ?      
1 1 1 49 13 5  o -0.3248000     0.8350000     ?             ?      
1 1 1 49 13 6  o 0.8484000      0.8213000     ?             ?      
1 1 1 49 13 7  o 0.3692000E-01  0.8245000     ?             ?      
1 1 1 49 13 8  o -0.3970000     0.8321000     ?             ?      
1 1 1 49 13 9  o 0.4054000      0.8293000     ?             ?      
1 1 1 49 13 10 o 0.1228000      0.8359000     ?             ?      
1 1 1 49 13 11 o 0.6431000      0.8709000     ?             ?      
1 1 1 49 13 12 o 0.6612000      0.8638000     ?             ?      
1 1 1 49 13 13 o 0.8949000      0.8881000     ?             ?      
1 1 1 49 13 14 o -0.1381000     1.021000      ?             ?      
1 1 1 49 13 15 o -0.8108000     1.022000      ?             ?      
1 1 1 49 13 16 o 0.8794000      1.035000      ?             ?      
1 1 1 49 13 17 o -0.1811000     1.051000      ?             ?      
1 1 1 49 13 18 o -0.1908000     1.058000      ?             ?      
1 1 1 49 13 19 o -0.7339000E-01 1.117000      ?             ?      
1 1 1 49 13 20 o 0.6692000      1.140000      ?             ?      
1 1 1 49 13 21 o 0.3796000      1.033000      ?             ?      
1 1 1 49 13 22 o -0.5454000     1.116000      ?             ?      
1 1 1 49 13 23 o -0.5712000     1.156000      ?             ?      
1 1 1 49 13 24 o -0.1185000     1.313000      ?             ?      
1 1 1 49 13 25 o -0.1426000     1.311000      ?             ?      
1 1 1 49 13 26 o -0.4362000     1.407000      ?             ?      
1 1 1 49 13 27 o 0.1406000      1.338000      ?             ?      
1 1 1 49 13 28 o -0.5140000     1.214000      ?             ?      
1 1 1 49 13 29 o 1.258000       1.264000      ?             ?      
1 1 1 49 13 30 o -0.4951000     1.264000      ?             ?      
1 1 1 49 13 31 o 0.4821000      1.069000      ?             ?      
1 1 1 49 13 32 o -1.500000      0.9863000     ?             ?      
1 1 1 49 13 33 o 0.4264000      1.238000      ?             ?      
1 1 1 49 14 0  o 0.7434000      1.182000      ?             ?      
1 1 1 49 14 1  o -0.8440000     0.8345000     ?             ?      
1 1 1 49 14 2  o -0.3829000     0.8805000     ?             ?      
1 1 1 49 14 3  o -0.2196000     0.9571000     ?             ?      
1 1 1 49 14 4  o -1.035000      0.8677000     ?             ?      
1 1 1 49 14 5  o -0.1849000E-01 0.8232000     ?             ?      
1 1 1 49 14 6  o -0.1171000     0.8237000     ?             ?      
1 1 1 49 14 7  o -0.7232000     0.8551000     ?             ?      
1 1 1 49 14 8  o -0.6302000     0.8581000     ?             ?      
1 1 1 49 14 9  o 1.343000       0.8416000     ?             ?      
1 1 1 49 14 10 o 0.2684000      0.8530000     ?             ?      
1 1 1 49 14 11 o 0.9234000E-01  0.8419000     ?             ?      
1 1 1 49 14 12 o 2.030000       0.9297000     ?             ?      
1 1 1 49 14 13 o -0.3632000     0.9572000     ?             ?      
1 1 1 49 14 14 o 0.3962000      1.036000      ?             ?      
1 1 1 49 14 15 o -0.6682000     1.035000      ?             ?      
1 1 1 49 14 16 o -0.4200000     1.014000      ?             ?      
1 1 1 49 14 17 o 1.257000       1.104000      ?             ?      
1 1 1 49 14 18 o -0.7529000E-01 1.019000      ?             ?      
1 1 1 49 14 19 o 0.8843000E-01  1.028000      ?             ?      
1 1 1 49 14 20 o 0.1243000      1.055000      ?             ?      
1 1 1 49 14 21 o -0.5948000     1.042000      ?             ?      
1 1 1 49 14 22 o -1.090000      1.128000      ?             ?      
1 1 1 49 14 23 o -0.7143000     1.186000      ?             ?      
1 1 1 49 14 24 o -0.2850000     1.323000      ?             ?      
1 1 1 49 14 25 o 1.409000       1.254000      ?             ?      
1 1 1 49 14 26 o -0.6943000E-01 1.361000      ?             ?      
1 1 1 49 14 27 o -2.315000      1.209000      ?             ?      
1 1 1 49 14 28 o -0.2973000     1.230000      ?             ?      
1 1 1 49 14 29 o -0.5044000     1.230000      ?             ?      
1 1 1 49 14 30 o -0.4843000     1.269000      ?             ?      
1 1 1 49 14 31 o 0.8386000      1.296000      ?             ?      
1 1 1 49 14 32 o 1.282000       1.158000      ?             ?      
1 1 1 49 14 33 o 2.840000       2.320000      ?             ?      
1 1 1 49 15 0  o -0.4870000     1.167000      ?             ?      
1 1 1 49 15 1  o -1.167000      0.8265000     ?             ?      
1 1 1 49 15 2  o -0.2150000     0.8209000     ?             ?      
1 1 1 49 15 3  o 1.477000       0.8227000     ?             ?      
1 1 1 49 15 4  o -0.3073000     0.9108000     ?             ?      
1 1 1 49 15 5  o -0.5168000     0.9053000     ?             ?      
1 1 1 49 15 6  o 0.7383000      0.8796000     ?             ?      
1 1 1 49 15 7  o -0.1935000     0.8839000     ?             ?      
1 1 1 49 15 8  o 0.4322000      0.8413000     ?             ?      
1 1 1 49 15 9  o 0.5616000      0.8642000     ?             ?      
1 1 1 49 15 10 o -0.5275000     0.9230000     ?             ?      
1 1 1 49 15 11 o -0.8699000E-01 0.9137000     ?             ?      
1 1 1 49 15 12 o -1.912000      0.9390000     ?             ?      
1 1 1 49 15 13 o -0.4812000     1.020000      ?             ?      
1 1 1 49 15 14 o 0.4983000      1.070000      ?             ?      
1 1 1 49 15 15 o 0.5353000E-01  1.092000      ?             ?      
1 1 1 49 15 16 o 0.1283000      1.026000      ?             ?      
1 1 1 49 15 17 o 1.453000       1.029000      ?             ?      
1 1 1 49 15 18 o -1.095000      1.023000      ?             ?      
1 1 1 49 15 19 o 0.2752000      1.055000      ?             ?      
1 1 1 49 15 20 o -0.9009000     1.033000      ?             ?      
1 1 1 49 15 21 o 0.4214000      1.143000      ?             ?      
1 1 1 49 15 22 o -0.3488000     1.154000      ?             ?      
1 1 1 49 15 23 o 1.779000       1.365000      ?             ?      
1 1 1 49 15 24 o -0.9171000     1.347000      ?             ?      
1 1 1 49 15 25 o -0.4798000     1.282000      ?             ?      
1 1 1 49 15 26 o -1.818000      1.376000      ?             ?      
1 1 1 49 15 27 o 0.5773000      1.203000      ?             ?      
1 1 1 49 15 28 o 0.2506000      1.194000      ?             ?      
1 1 1 49 15 29 o 0.7945000      1.230000      ?             ?      
1 1 1 49 15 30 o -0.2954000     1.233000      ?             ?      
1 1 1 49 15 31 o 1.743000       2.709000      ?             ?      
1 1 1 49 15 32 o 0.3186000E-01  1.423000      ?             ?      
1 1 1 49 16 0  o -1.499000      1.160000      ?             ?      
1 1 1 49 16 1  o 0.5818000      0.8280000     ?             ?      
1 1 1 49 16 2  o -0.7649000     0.8223000     ?             ?      
1 1 1 49 16 3  o 0.2440000      0.8175000     ?             ?      
1 1 1 49 16 4  o 0.1425000      0.8204000     ?             ?      
1 1 1 49 16 5  o -0.9506000     0.8259000     ?             ?      
1 1 1 49 16 6  o -0.3601000     0.8288000     ?             ?      
1 1 1 49 16 7  o -1.242000      0.9610000     ?             ?      
1 1 1 49 16 8  o -0.3509000     1.062000      ?             ?      
1 1 1 49 16 9  o 1.375000       0.9800000     ?             ?      
1 1 1 49 16 10 o 0.8475000      0.9173000     ?             ?      
1 1 1 49 16 11 o -0.4509000     0.8617000     ?             ?      
1 1 1 49 16 12 o -1.134000      0.9600000     ?             ?      
1 1 1 49 16 13 o 0.2625000      1.028000      ?             ?      
1 1 1 49 16 14 o 0.1021000      1.006000      ?             ?      
1 1 1 49 16 15 o 0.2911000      1.021000      ?             ?      
1 1 1 49 16 16 o -0.2584000     1.029000      ?             ?      
1 1 1 49 16 17 o -0.2062000     1.020000      ?             ?      
1 1 1 49 16 18 o -1.302000      1.036000      ?             ?      
1 1 1 49 16 19 o -2.224000      1.039000      ?             ?      
1 1 1 49 16 20 o -1.086000      1.133000      ?             ?      
1 1 1 49 16 21 o 1.066000       1.156000      ?             ?      
1 1 1 49 16 22 o 2.335000       1.390000      ?             ?      
1 1 1 49 16 23 o -1.005000      1.361000      ?             ?      
1 1 1 49 16 24 o -0.6636000     1.240000      ?             ?      
1 1 1 49 16 25 o -0.3929000     1.430000      ?             ?      
1 1 1 49 16 26 o -0.1437000     1.216000      ?             ?      
1 1 1 49 16 27 o 0.2026000      1.198000      ?             ?      
1 1 1 49 16 28 o 0.3247000      1.067000      ?             ?      
1 1 1 49 16 29 o -0.1720000     1.245000      ?             ?      
1 1 1 49 16 30 o 0.8483000      1.268000      ?             ?      
1 1 1 49 16 31 o -0.6043000     1.344000      ?             ?      
1 1 1 49 17 0  o 0.1528000      1.175000      ?             ?      
1 1 1 49 17 1  o -0.8498000E-01 0.8303000     ?             ?      
1 1 1 49 17 2  o -0.3658000     0.8304000     ?             ?      
1 1 1 49 17 3  o -0.8172000     0.8349000     ?             ?      
1 1 1 49 17 4  o 0.5143000      0.8625000     ?             ?      
1 1 1 49 17 5  o 0.7735000E-01  0.8665000     ?             ?      
1 1 1 49 17 6  o -1.232000      0.9305000     ?             ?      
1 1 1 49 17 7  o 0.5999000      0.9317000     ?             ?      
1 1 1 49 17 8  o -0.1983000     0.8500000     ?             ?      
1 1 1 49 17 9  o -0.7396000     0.9542000     ?             ?      
1 1 1 49 17 10 o 0.5866000E-01  0.9997000     ?             ?      
1 1 1 49 17 11 o -1.570000      1.058000      ?             ?      
1 1 1 49 17 12 o 0.7731000      1.076000      ?             ?      
1 1 1 49 17 13 o -1.409000      1.004000      ?             ?      
1 1 1 49 17 14 o -0.1240000     1.007000      ?             ?      
1 1 1 49 17 15 o -1.253000      1.036000      ?             ?      
1 1 1 49 17 16 o 0.5795000      1.050000      ?             ?      
1 1 1 49 17 17 o 2.457000       1.039000      ?             ?      
1 1 1 49 17 18 o 2.961000       1.190000      ?             ?      
1 1 1 49 17 19 o -0.3340000     1.143000      ?             ?      
1 1 1 49 17 20 o -0.1596000     1.163000      ?             ?      
1 1 1 49 17 21 o -2.236000      1.349000      ?             ?      
1 1 1 49 17 22 o 0.4711000      1.380000      ?             ?      
1 1 1 49 17 23 o -1.323000      1.256000      ?             ?      
1 1 1 49 17 24 o -1.291000      1.273000      ?             ?      
1 1 1 49 17 25 o 0.4423000      1.161000      ?             ?      
1 1 1 49 17 26 o -0.3599000     1.151000      ?             ?      
1 1 1 49 17 27 o 0.6164000      1.216000      ?             ?      
1 1 1 49 17 28 o -1.490000      1.062000      ?             ?      
1 1 1 49 17 29 o -1.491000      1.251000      ?             ?      
1 1 1 49 17 30 o -0.2797000     1.474000      ?             ?      
1 1 1 49 17 31 o 6.114000       4.225000      ?             ?      
1 1 1 49 18 0  o -0.6474000     1.176000      ?             ?      
1 1 1 49 18 1  o 0.6040000      0.8385000     ?             ?      
1 1 1 49 18 2  o -0.7672000     0.8788000     ?             ?      
1 1 1 49 18 3  o 0.1905000      0.8742000     ?             ?      
1 1 1 49 18 4  o 0.6935000      0.9316000     ?             ?      
1 1 1 49 18 5  o 0.2344000      0.9200000     ?             ?      
1 1 1 49 18 6  o -1.469000      0.8550000     ?             ?      
1 1 1 49 18 7  o -0.8544000     0.8572000     ?             ?      
1 1 1 49 18 8  f 0.1432000      0.8535000     ?             ?      
1 1 1 49 18 9  o 0.3823000      0.8598000     ?             ?      
1 1 1 49 18 10 o 0.4387000E-02  0.8528000     ?             ?      
1 1 1 49 18 11 o -1.112000      0.8576000     ?             ?      
1 1 1 49 18 12 o 2.032000       0.9819000     ?             ?      
1 1 1 49 18 13 o -0.2658000     1.017000      ?             ?      
1 1 1 49 18 14 o 1.229000       1.182000      ?             ?      
1 1 1 49 18 15 o -1.148000      1.173000      ?             ?      
1 1 1 49 18 16 o 0.7550000      1.032000      ?             ?      
1 1 1 49 18 17 o -0.1198000     1.082000      ?             ?      
1 1 1 49 18 18 o -1.278000      1.157000      ?             ?      
1 1 1 49 18 19 o -1.214000      1.153000      ?             ?      
1 1 1 49 18 20 o 0.2535000      1.406000      ?             ?      
1 1 1 49 18 21 o 1.784000       1.425000      ?             ?      
1 1 1 49 18 22 o -1.011000      1.268000      ?             ?      
1 1 1 49 18 23 o 0.6033000      1.271000      ?             ?      
1 1 1 49 18 24 o -2.153000      1.333000      ?             ?      
1 1 1 49 18 25 o -1.820000      1.138000      ?             ?      
1 1 1 49 18 26 o -1.220000      1.216000      ?             ?      
1 1 1 49 18 27 o 0.3884000      1.095000      ?             ?      
1 1 1 49 18 28 o -0.6253000     1.073000      ?             ?      
1 1 1 49 18 29 o 0.3382000      1.461000      ?             ?      
1 1 1 49 18 30 o 0.8608000      1.567000      ?             ?      
1 1 1 49 19 0  o -0.1888000     1.290000      ?             ?      
1 1 1 49 19 1  o 0.6731000      0.9758000     ?             ?      
1 1 1 49 19 2  o -0.4600000     0.9369000     ?             ?      
1 1 1 49 19 3  o -0.1733000     0.8420000     ?             ?      
1 1 1 49 19 4  o 0.6851000      0.8490000     ?             ?      
1 1 1 49 19 5  o -0.5610000     0.8503000     ?             ?      
1 1 1 49 19 6  o 0.5651000      0.8366000     ?             ?      
1 1 1 49 19 7  o -0.4322000     0.8426000     ?             ?      
1 1 1 49 19 8  o -1.543000      0.8601000     ?             ?      
1 1 1 49 19 9  o 0.2026000      0.8553000     ?             ?      
1 1 1 49 19 10 o 0.4426000      0.8517000     ?             ?      
1 1 1 49 19 11 o 0.2772000      0.8822000     ?             ?      
1 1 1 49 19 12 o -0.6032000E-01 0.9523000     ?             ?      
1 1 1 49 19 13 o 0.5577000      1.021000      ?             ?      
1 1 1 49 19 14 o -1.019000      1.022000      ?             ?      
1 1 1 49 19 15 o -0.9829000     1.031000      ?             ?      
1 1 1 49 19 16 o -0.3992000     1.039000      ?             ?      
1 1 1 49 19 17 o 0.1943000      1.217000      ?             ?      
1 1 1 49 19 18 f -2.862000      1.428000      ?             ?      
1 1 1 49 19 19 o -0.9297000     1.192000      ?             ?      
1 1 1 49 19 20 o -1.824000      1.407000      ?             ?      
1 1 1 49 19 21 o -0.5671000     1.433000      ?             ?      
1 1 1 49 19 22 o -0.3030000     1.277000      ?             ?      
1 1 1 49 19 23 o -0.6396000     1.282000      ?             ?      
1 1 1 49 19 24 o 0.3664000      2.278000      ?             ?      
1 1 1 49 19 25 o -1.106000      1.248000      ?             ?      
1 1 1 49 19 26 o 0.9462000      1.257000      ?             ?      
1 1 1 49 19 27 o -0.1819000     1.083000      ?             ?      
1 1 1 49 19 28 o -0.6130000     1.211000      ?             ?      
1 1 1 49 19 29 o 0.3766000      1.484000      ?             ?      
1 1 1 49 20 0  o -1.436000      1.233000      ?             ?      
1 1 1 49 20 1  o -0.2956000     0.9475000     ?             ?      
1 1 1 49 20 2  o 0.1038000      0.8656000     ?             ?      
1 1 1 49 20 3  o -0.3857000     0.8922000     ?             ?      
1 1 1 49 20 4  o -1.492000      0.8872000     ?             ?      
1 1 1 49 20 5  o 1.306000       0.8621000     ?             ?      
1 1 1 49 20 6  o 0.5619000      0.8513000     ?             ?      
1 1 1 49 20 7  o 0.4324000      0.8485000     ?             ?      
1 1 1 49 20 8  o -1.569000      0.9161000     ?             ?      
1 1 1 49 20 9  o 0.8492000      0.8554000     ?             ?      
1 1 1 49 20 10 o -0.1462000     0.8548000     ?             ?      
1 1 1 49 20 11 o -0.2281000     0.9749000     ?             ?      
1 1 1 49 20 12 o -0.8323000     0.9503000     ?             ?      
1 1 1 49 20 13 o -0.6745000     1.019000      ?             ?      
1 1 1 49 20 14 o -0.7567000     1.033000      ?             ?      
1 1 1 49 20 15 o -1.970000      1.033000      ?             ?      
1 1 1 49 20 16 o 1.137000       1.199000      ?             ?      
1 1 1 49 20 17 o -1.093000      1.158000      ?             ?      
1 1 1 49 20 18 o -1.000000      1.167000      ?             ?      
1 1 1 49 20 19 o -0.2648000     1.444000      ?             ?      
1 1 1 49 20 20 o 1.120000       2.113000      ?             ?      
1 1 1 49 20 21 o -0.3518000     1.598000      ?             ?      
1 1 1 49 20 22 o 0.8507000E-01  1.294000      ?             ?      
1 1 1 49 20 23 o 0.2652000      1.201000      ?             ?      
1 1 1 49 20 24 o 1.695000       1.323000      ?             ?      
1 1 1 49 20 25 o -0.1568000     1.242000      ?             ?      
1 1 1 49 20 26 o -1.032000      1.247000      ?             ?      
1 1 1 49 20 27 o -0.5071000     1.212000      ?             ?      
1 1 1 49 20 28 f -2.514000      1.481000      ?             ?      
1 1 1 49 20 29 < 0.000000       -1.000000     ?             ?      
1 1 1 49 21 0  o 1.139000       1.227000      ?             ?      
1 1 1 49 21 1  o -0.5058000     0.8600000     ?             ?      
1 1 1 49 21 2  o 0.4361000      0.8625000     ?             ?      
1 1 1 49 21 3  o -0.5249000E-01 0.9531000     ?             ?      
1 1 1 49 21 4  o 0.3460000      0.9523000     ?             ?      
1 1 1 49 21 5  o 0.3536000      0.8793000     ?             ?      
1 1 1 49 21 6  o 0.5216000      0.9043000     ?             ?      
1 1 1 49 21 7  o -0.4206000     0.8563000     ?             ?      
1 1 1 49 21 8  o -0.9265000E-01 0.8556000     ?             ?      
1 1 1 49 21 9  o 0.3453000      0.8575000     ?             ?      
1 1 1 49 21 10 o -0.4283000     0.8710000     ?             ?      
1 1 1 49 21 11 o -0.9292000     0.9846000     ?             ?      
1 1 1 49 21 12 o 0.2079000E-01  0.9664000     ?             ?      
1 1 1 49 21 13 o -0.2490000E-01 1.007000      ?             ?      
1 1 1 49 21 14 o 0.8739000      1.020000      ?             ?      
1 1 1 49 21 15 o 0.2862000      1.056000      ?             ?      
1 1 1 49 21 16 o -1.062000      1.143000      ?             ?      
1 1 1 49 21 17 o -0.2563000     1.162000      ?             ?      
1 1 1 49 21 18 o 1.774000       1.436000      ?             ?      
1 1 1 49 21 19 o -1.171000      1.417000      ?             ?      
1 1 1 49 21 20 o 1.277000       1.355000      ?             ?      
1 1 1 49 21 21 o 0.8521000      2.251000      ?             ?      
1 1 1 49 21 22 o 1.670000       1.360000      ?             ?      
1 1 1 49 21 23 o -1.617000      1.289000      ?             ?      
1 1 1 49 21 24 o -1.481000      1.251000      ?             ?      
1 1 1 49 21 25 o -0.8152000     1.298000      ?             ?      
1 1 1 49 21 26 o 2.624000       2.229000      ?             ?      
1 1 1 49 21 27 o -0.7128000     1.477000      ?             ?      
1 1 1 49 21 28 < 0.000000       -1.000000     ?             ?      
1 1 1 49 22 0  o 0.1498000      1.219000      ?             ?      
1 1 1 49 22 1  o 0.9835000      0.8775000     ?             ?      
1 1 1 49 22 2  o 1.066000       0.8707000     ?             ?      
1 1 1 49 22 3  o -0.4299000     0.8602000     ?             ?      
1 1 1 49 22 4  o -1.491000      0.8583000     ?             ?      
1 1 1 49 22 5  o -0.9114000     0.8725000     ?             ?      
1 1 1 49 22 6  o 0.1593000      0.9605000     ?             ?      
1 1 1 49 22 7  o 0.3933000      0.9578000     ?             ?      
1 1 1 49 22 8  o -1.240000      0.9702000     ?             ?      
1 1 1 49 22 9  o -2.532000      0.8855000     ?             ?      
1 1 1 49 22 10 o -0.9795000     0.8937000     ?             ?      
1 1 1 49 22 11 o -0.5571000     0.9807000     ?             ?      
1 1 1 49 22 12 o 0.9181000      0.9728000     ?             ?      
1 1 1 49 22 13 o 1.404000       0.9726000     ?             ?      
1 1 1 49 22 14 o -1.658000      1.035000      ?             ?      
1 1 1 49 22 15 o -0.1429000     1.141000      ?             ?      
1 1 1 49 22 16 o -0.4632000     1.148000      ?             ?      
1 1 1 49 22 17 o -0.4190000     1.425000      ?             ?      
1 1 1 49 22 18 o 0.8764000      1.438000      ?             ?      
1 1 1 49 22 19 o -0.2055000     1.274000      ?             ?      
1 1 1 49 22 20 o -0.3567000E-01 1.307000      ?             ?      
1 1 1 49 22 21 o -0.2681000     1.175000      ?             ?      
1 1 1 49 22 22 o -0.8188000     1.187000      ?             ?      
1 1 1 49 22 23 o 1.326000       1.045000      ?             ?      
1 1 1 49 22 24 o -1.594000      1.299000      ?             ?      
1 1 1 49 22 25 o 0.4764000      1.522000      ?             ?      
1 1 1 49 22 26 o -0.4420000     2.204000      ?             ?      
1 1 1 49 22 27 < 0.000000       -1.000000     ?             ?      
1 1 1 49 23 0  o -0.2621000     1.239000      ?             ?      
1 1 1 49 23 1  o 0.2307000      0.8734000     ?             ?      
1 1 1 49 23 2  o -0.1336000     0.9214000     ?             ?      
1 1 1 49 23 3  o -1.496000      0.8716000     ?             ?      
1 1 1 49 23 4  o -1.502000      0.8637000     ?             ?      
1 1 1 49 23 5  o -0.6167000     0.8766000     ?             ?      
1 1 1 49 23 6  o -0.1525000     0.8817000     ?             ?      
1 1 1 49 23 7  o 1.074000       0.9641000     ?             ?      
1 1 1 49 23 8  o 1.154000       0.8709000     ?             ?      
1 1 1 49 23 9  o 1.176000       0.9343000     ?             ?      
1 1 1 49 23 10 o 0.6418000E-01  1.145000      ?             ?      
1 1 1 49 23 11 o -0.1874000     1.071000      ?             ?      
1 1 1 49 23 12 o -0.3386000     1.047000      ?             ?      
1 1 1 49 23 13 o -0.9220000     0.9778000     ?             ?      
1 1 1 49 23 14 o -0.7712000     1.149000      ?             ?      
1 1 1 49 23 15 o -0.2586000     1.131000      ?             ?      
1 1 1 49 23 16 o -0.4628000     1.438000      ?             ?      
1 1 1 49 23 17 o -2.983000      1.418000      ?             ?      
1 1 1 49 23 18 o -2.582000      2.676000      ?             ?      
1 1 1 49 23 19 o -0.7529000     1.290000      ?             ?      
1 1 1 49 23 20 o -1.931000      1.175000      ?             ?      
1 1 1 49 23 21 o 0.1408000      1.183000      ?             ?      
1 1 1 49 23 22 o -2.481000      1.314000      ?             ?      
1 1 1 49 23 23 o -0.7571000E-01 1.039000      ?             ?      
1 1 1 49 23 24 o -0.3411000     1.491000      ?             ?      
1 1 1 49 23 25 o -0.5337000     1.541000      ?             ?      
1 1 1 49 24 0  o -0.3055000     1.241000      ?             ?      
1 1 1 49 24 1  o 0.9355000E-01  0.8760000     ?             ?      
1 1 1 49 24 2  o 0.8477000      0.8780000     ?             ?      
1 1 1 49 24 3  o -0.3429000     0.8821000     ?             ?      
1 1 1 49 24 4  o 0.9645000E-01  0.8806000     ?             ?      
1 1 1 49 24 5  o 1.009000       0.8914000     ?             ?      
1 1 1 49 24 6  o -0.1293000     0.8877000     ?             ?      
1 1 1 49 24 7  o 1.264000       0.9682000     ?             ?      
1 1 1 49 24 8  o -0.2895000     0.8853000     ?             ?      
1 1 1 49 24 9  o -1.375000      0.8680000     ?             ?      
1 1 1 49 24 10 o -0.8586000E-01 0.9963000     ?             ?      
1 1 1 49 24 11 o -0.1616000     1.008000      ?             ?      
1 1 1 49 24 12 o -0.5300000     1.123000      ?             ?      
1 1 1 49 24 13 o -0.2435000     1.666000      ?             ?      
1 1 1 49 24 14 o 0.7161000      1.164000      ?             ?      
1 1 1 49 24 15 o 2.533000       1.448000      ?             ?      
1 1 1 49 24 16 o 0.6062000      1.447000      ?             ?      
1 1 1 49 24 17 o 0.2166000      1.446000      ?             ?      
1 1 1 49 24 18 o -0.8527000     2.261000      ?             ?      
1 1 1 49 24 19 o 2.106000       1.322000      ?             ?      
1 1 1 49 24 20 o 0.4087000      1.183000      ?             ?      
1 1 1 49 24 21 o -1.034000      1.182000      ?             ?      
1 1 1 49 24 22 o 0.6425000      1.530000      ?             ?      
1 1 1 49 24 23 o 0.4268000      2.183000      ?             ?      
1 1 1 49 24 24 o 1.977000       4.208000      ?             ?      
1 1 1 49 25 0  o -1.436000      1.249000      ?             ?      
1 1 1 49 25 1  o -0.2866000     0.8825000     ?             ?      
1 1 1 49 25 2  o 0.2878000      0.8836000     ?             ?      
1 1 1 49 25 3  o 0.1582000      0.8841000     ?             ?      
1 1 1 49 25 4  o -1.077000      0.8933000     ?             ?      
1 1 1 49 25 5  o 0.5833000      0.8926000     ?             ?      
1 1 1 49 25 6  o -1.993000      0.8980000     ?             ?      
1 1 1 49 25 7  o -0.4796000     0.8970000     ?             ?      
1 1 1 49 25 8  o 1.468000       0.8985000     ?             ?      
1 1 1 49 25 9  o -1.180000      0.9134000     ?             ?      
1 1 1 49 25 10 o -1.016000      0.9961000     ?             ?      
1 1 1 49 25 11 o -0.4142000     0.9772000     ?             ?      
1 1 1 49 25 12 o 1.958000       1.109000      ?             ?      
1 1 1 49 25 13 o 0.4665000      1.092000      ?             ?      
1 1 1 49 25 14 o -1.147000      1.468000      ?             ?      
1 1 1 49 25 15 o 1.325000       1.447000      ?             ?      
1 1 1 49 25 16 o 2.112000       1.467000      ?             ?      
1 1 1 49 25 17 o 0.6880000      2.715000      ?             ?      
1 1 1 49 25 18 o 0.1277000      1.502000      ?             ?      
1 1 1 49 25 19 o -0.9607000     1.174000      ?             ?      
1 1 1 49 25 20 o 0.2257000      1.197000      ?             ?      
1 1 1 49 25 21 o -2.221000      1.556000      ?             ?      
1 1 1 49 25 22 o 1.880000       1.037000      ?             ?      
1 1 1 49 25 23 < 0.000000       -1.000000     ?             ?      
1 1 1 49 26 0  f -0.4722000     1.252000      ?             ?      
1 1 1 49 26 1  o 0.8619000      0.8926000     ?             ?      
1 1 1 49 26 2  o 0.9462000      0.8939000     ?             ?      
1 1 1 49 26 3  o -0.5231000     0.8979000     ?             ?      
1 1 1 49 26 4  o 0.1575000      0.9098000     ?             ?      
1 1 1 49 26 5  o 0.2222000      0.9047000     ?             ?      
1 1 1 49 26 6  o 0.8231000      0.9188000     ?             ?      
1 1 1 49 26 7  o -1.059000      0.9031000     ?             ?      
1 1 1 49 26 8  o 0.1982000      0.9028000     ?             ?      
1 1 1 49 26 9  o -0.8496000     0.9408000     ?             ?      
1 1 1 49 26 10 o 1.284000       1.054000      ?             ?      
1 1 1 49 26 11 o -0.5343000     1.001000      ?             ?      
1 1 1 49 26 12 o 0.6032000E-01  1.069000      ?             ?      
1 1 1 49 26 13 o -0.6420000     1.265000      ?             ?      
1 1 1 49 26 14 o 1.050000       1.435000      ?             ?      
1 1 1 49 26 15 o 0.5319000      1.449000      ?             ?      
1 1 1 49 26 16 o -0.1034000     1.263000      ?             ?      
1 1 1 49 26 17 o -1.140000      1.266000      ?             ?      
1 1 1 49 26 18 o 0.5846000      1.318000      ?             ?      
1 1 1 49 26 19 o -0.7666000     1.325000      ?             ?      
1 1 1 49 26 20 o -0.2884000     1.969000      ?             ?      
1 1 1 49 26 21 o -0.7082000     1.377000      ?             ?      
1 1 1 49 27 0  o -1.488000      1.258000      ?             ?      
1 1 1 49 27 1  o 0.9722000      0.9013000     ?             ?      
1 1 1 49 27 2  o -0.6714000     0.9051000     ?             ?      
1 1 1 49 27 3  o -0.5307000     0.9109000     ?             ?      
1 1 1 49 27 4  o -0.6876000     0.9119000     ?             ?      
1 1 1 49 27 5  o 0.9227000      0.9147000     ?             ?      
1 1 1 49 27 6  o 0.7255000      1.013000      ?             ?      
1 1 1 49 27 7  o 0.3631000      0.9225000     ?             ?      
1 1 1 49 27 8  o -0.5406000E-01 0.9231000     ?             ?      
1 1 1 49 27 9  o -0.9064000     1.068000      ?             ?      
1 1 1 49 27 10 o -0.1643000E-01 1.063000      ?             ?      
1 1 1 49 27 11 o -2.975000      1.156000      ?             ?      
1 1 1 49 27 12 o -0.4965000     1.288000      ?             ?      
1 1 1 49 27 13 o 0.1781000      1.285000      ?             ?      
1 1 1 49 27 14 o 0.3818000      1.282000      ?             ?      
1 1 1 49 27 15 o 0.2873000      1.270000      ?             ?      
1 1 1 49 27 16 o 1.048000       1.291000      ?             ?      
1 1 1 49 27 17 o 1.035000       2.171000      ?             ?      
1 1 1 49 27 18 o -4.204000      2.688000      ?             ?      
1 1 1 49 27 19 o 0.4390000      1.539000      ?             ?      
1 1 1 49 28 0  o 0.5941000      1.288000      ?             ?      
1 1 1 49 28 1  o -0.8805000     0.9082000     ?             ?      
1 1 1 49 28 2  o 0.1361000      0.9098000     ?             ?      
1 1 1 49 28 3  o -0.5638000     0.9155000     ?             ?      
1 1 1 49 28 4  o 0.6577000      1.347000      ?             ?      
1 1 1 49 28 5  o -0.2651000     0.9228000     ?             ?      
1 1 1 49 28 6  o -0.7358000E-01 1.021000      ?             ?      
1 1 1 49 28 7  o 1.866000       1.384000      ?             ?      
1 1 1 49 28 8  o 0.1070000      0.9301000     ?             ?      
1 1 1 49 28 9  o 1.584000       1.091000      ?             ?      
1 1 1 49 28 10 o -1.118000      1.177000      ?             ?      
1 1 1 49 28 11 o -0.2977000E-01 1.479000      ?             ?      
1 1 1 49 28 12 o -0.2489000E-01 1.510000      ?             ?      
1 1 1 49 28 13 o 1.310000       1.315000      ?             ?      
1 1 1 49 28 14 o -0.2031000     2.095000      ?             ?      
1 1 1 49 28 15 o -1.237000      1.442000      ?             ?      
1 1 1 49 28 16 o 1.798000       1.484000      ?             ?      
1 1 1 49 28 17 o -0.8997000     1.510000      ?             ?      
1 1 1 49 28 18 < 0.000000       -1.000000     ?             ?      
1 1 1 49 29 0  o -0.9572000     1.283000      ?             ?      
1 1 1 49 29 1  o -0.2022000     0.9174000     ?             ?      
1 1 1 49 29 2  o 1.309000       1.326000      ?             ?      
1 1 1 49 29 3  o -0.3014000     0.9250000     ?             ?      
1 1 1 49 29 4  o -1.246000      0.9322000     ?             ?      
1 1 1 49 29 5  o -0.5026000     0.9288000     ?             ?      
1 1 1 49 29 6  o 0.6957000      0.9420000     ?             ?      
1 1 1 49 29 7  o -0.2734000     0.9797000     ?             ?      
1 1 1 49 29 8  o 0.6016000      0.9462000     ?             ?      
1 1 1 49 29 9  o -0.8353000     1.386000      ?             ?      
1 1 1 49 29 10 o -0.1202000E-01 1.474000      ?             ?      
1 1 1 49 29 11 o 3.003000       1.504000      ?             ?      
1 1 1 49 29 12 o 1.106000       1.904000      ?             ?      
1 1 1 49 29 13 o 1.246000       1.885000      ?             ?      
1 1 1 49 29 14 o -2.106000      1.484000      ?             ?      
1 1 1 49 29 15 o -0.9613000     1.327000      ?             ?      
1 1 1 49 30 0  o 0.8907000      1.321000      ?             ?      
1 1 1 49 30 1  o -0.1689000     0.9302000     ?             ?      
1 1 1 49 30 2  o 0.5634000      0.9356000     ?             ?      
1 1 1 49 30 3  o -1.802000      0.9259000     ?             ?      
1 1 1 49 30 4  o -0.8673000     0.9378000     ?             ?      
1 1 1 49 30 5  o 0.4663000      0.9431000     ?             ?      
1 1 1 49 30 6  o -1.041000      0.9342000     ?             ?      
1 1 1 49 30 7  o -0.4773000     0.9767000     ?             ?      
1 1 1 49 30 8  o 0.9641000      2.053000      ?             ?      
1 1 1 49 30 9  o 2.171000       1.904000      ?             ?      
1 1 1 49 30 10 o 0.6020000E-02  1.890000      ?             ?      
1 1 1 49 30 11 o -1.559000      1.173000      ?             ?      
1 1 1 49 30 12 o -0.8721000     1.953000      ?             ?      
1 1 1 49 30 13 < 0.000000       -1.000000     ?             ?      
1 1 1 49 31 0  o -1.177000      1.305000      ?             ?      
1 1 1 49 31 1  f -0.8822000E-01 0.9283000     ?             ?      
1 1 1 49 31 2  o -0.3778000     0.9673000     ?             ?      
1 1 1 49 31 3  o -0.5205000     0.9702000     ?             ?      
1 1 1 49 31 4  f 0.2120000      1.463000      ?             ?      
1 1 1 49 31 5  o -0.4604000     1.131000      ?             ?      
1 1 1 49 31 6  o -0.3254000E-01 1.126000      ?             ?      
1 1 1 49 31 7  o 0.1229000      1.360000      ?             ?      
1 1 1 49 31 8  o -0.8593000     1.884000      ?             ?      
1 1 1 49 32 0  o -1.119000      2.368000      ?             ?      
1 1 1 49 32 1  o -2.906000      2.366000      ?             ?      
1 1 1 49 32 2  o 1.990000       2.444000      ?             ?      
1 1 1 49 32 3  o 3.274000       2.447000      ?             ?      
1 1 1 49 32 4  o -4.227000      2.450000      ?             ?      
1 1 1 50 0  0  o -0.2815000     1.584000      ?             ?      
1 1 1 50 0  1  o 0.9038000      1.124000      ?             ?      
1 1 1 50 0  2  o -0.2131000     1.163000      ?             ?      
1 1 1 50 0  3  o -0.1185000     1.154000      ?             ?      
1 1 1 50 0  4  o 2.111000       1.173000      ?             ?      
1 1 1 50 0  5  o -0.2573000     1.154000      ?             ?      
1 1 1 50 0  6  o -1.651000      1.208000      ?             ?      
1 1 1 50 0  7  o -0.1834000     1.214000      ?             ?      
1 1 1 50 0  8  o 1.770000       1.203000      ?             ?      
1 1 1 50 0  9  o 1.159000       1.214000      ?             ?      
1 1 1 50 0  10 o 1.973000       1.217000      ?             ?      
1 1 1 50 0  11 o -0.1471000     1.211000      ?             ?      
1 1 1 50 0  12 o -0.3835000     1.224000      ?             ?      
1 1 1 50 0  13 o 0.5927000      1.241000      ?             ?      
1 1 1 50 0  14 o -0.2577000     1.251000      ?             ?      
1 1 1 50 0  15 o 0.6501000E-01  1.265000      ?             ?      
1 1 1 50 0  16 o 0.4671000      1.279000      ?             ?      
1 1 1 50 0  17 o -0.3856000     1.265000      ?             ?      
1 1 1 50 0  18 o -0.8854000     1.288000      ?             ?      
1 1 1 50 0  19 o 0.1961000      1.273000      ?             ?      
1 1 1 50 0  20 o 0.9843000      1.296000      ?             ?      
1 1 1 50 0  21 o 1.658000       1.561000      ?             ?      
1 1 1 50 0  22 o 0.4479000      1.594000      ?             ?      
1 1 1 50 0  23 o -1.356000      1.537000      ?             ?      
1 1 1 50 0  24 o -0.8327000     1.588000      ?             ?      
1 1 1 50 0  25 o 2.444000       1.611000      ?             ?      
1 1 1 50 0  26 o -2.864000      1.800000      ?             ?      
1 1 1 50 0  27 o -1.459000      1.611000      ?             ?      
1 1 1 50 0  28 o -3.488000      1.603000      ?             ?      
1 1 1 50 0  29 o -1.264000      1.766000      ?             ?      
1 1 1 50 0  30 o 2.126000       1.690000      ?             ?      
1 1 1 50 0  31 o -0.6404000     1.654000      ?             ?      
1 1 1 50 0  32 o 2.256000       1.666000      ?             ?      
1 1 1 50 0  33 o -0.6529000     1.659000      ?             ?      
1 1 1 50 0  34 o 2.504000       2.959000      ?             ?      
1 1 1 50 1  0  o -1.583000      1.121000      ?             ?      
1 1 1 50 1  1  o -0.3038000     0.7990000     ?             ?      
1 1 1 50 1  2  o -0.2231000     0.7980000     ?             ?      
1 1 1 50 1  3  o 0.2647000      0.8126000     ?             ?      
1 1 1 50 1  4  o 1.109000       0.8240000     ?             ?      
1 1 1 50 1  5  o 1.369000       0.8345000     ?             ?      
1 1 1 50 1  6  o 2.133000       0.8477000     ?             ?      
1 1 1 50 1  7  o 1.720000       0.8577000     ?             ?      
1 1 1 50 1  8  o -0.2536000     0.8523000     ?             ?      
1 1 1 50 1  9  o -1.056000      0.9136000     ?             ?      
1 1 1 50 1  10 o -0.3718000     0.8640000     ?             ?      
1 1 1 50 1  11 o -0.5912000     0.8631000     ?             ?      
1 1 1 50 1  12 o 0.8718000      0.8681000     ?             ?      
1 1 1 50 1  13 o -0.6959000     0.8731000     ?             ?      
1 1 1 50 1  14 o 0.8025000      0.8935000     ?             ?      
1 1 1 50 1  15 o -0.5450000E-02 0.9026000     ?             ?      
1 1 1 50 1  16 o 0.9679000      0.9080000     ?             ?      
1 1 1 50 1  17 o 0.2899000      0.9073000     ?             ?      
1 1 1 50 1  18 o -1.585000      0.8976000     ?             ?      
1 1 1 50 1  19 o -0.3135000     0.9050000     ?             ?      
1 1 1 50 1  20 f -0.2862000     0.9293000     ?             ?      
1 1 1 50 1  21 o -0.1272000     1.009000      ?             ?      
1 1 1 50 1  22 o -0.7739000     1.202000      ?             ?      
1 1 1 50 1  23 o -0.8087000     1.088000      ?             ?      
1 1 1 50 1  24 o -0.2887000     1.107000      ?             ?      
1 1 1 50 1  25 o -0.7434000     1.138000      ?             ?      
1 1 1 50 1  26 o 0.4523000      1.346000      ?             ?      
1 1 1 50 1  27 o -0.2565000     1.162000      ?             ?      
1 1 1 50 1  28 o -0.8788000     1.421000      ?             ?      
1 1 1 50 1  29 o 3.186000       1.790000      ?             ?      
1 1 1 50 1  30 o -0.2540000     1.173000      ?             ?      
1 1 1 50 1  31 o 0.1265000      1.217000      ?             ?      
1 1 1 50 1  32 o -2.216000      1.117000      ?             ?      
1 1 1 50 1  33 o 1.386000       1.091000      ?             ?      
1 1 1 50 1  34 o -3.324000      3.088000      ?             ?      
1 1 1 50 2  0  o -1.922000      1.106000      ?             ?      
1 1 1 50 2  1  o -0.7653000     0.8000000     ?             ?      
1 1 1 50 2  2  o -0.1299000     0.8031000     ?             ?      
1 1 1 50 2  3  o 0.2164000      0.8156000     ?             ?      
1 1 1 50 2  4  o -0.1741000     0.8172000     ?             ?      
1 1 1 50 2  5  o 0.7363000      0.8410000     ?             ?      
1 1 1 50 2  6  o 0.6756000      0.8338000     ?             ?      
1 1 1 50 2  7  o 0.1931000      0.8566000     ?             ?      
1 1 1 50 2  8  o -0.3875000     0.8555000     ?             ?      
1 1 1 50 2  9  o -0.4527000     0.8537000     ?             ?      
1 1 1 50 2  10 o 0.2174000      0.8581000     ?             ?      
1 1 1 50 2  11 o -0.5138000     0.8637000     ?             ?      
1 1 1 50 2  12 o -1.207000      0.8673000     ?             ?      
1 1 1 50 2  13 o 1.796000       0.8836000     ?             ?      
1 1 1 50 2  14 o -1.603000      0.8997000     ?             ?      
1 1 1 50 2  15 o 0.4480000      0.9033000     ?             ?      
1 1 1 50 2  16 o 0.6383000      0.9033000     ?             ?      
1 1 1 50 2  17 o -0.2881000     0.9090000     ?             ?      
1 1 1 50 2  18 o -1.030000      0.9029000     ?             ?      
1 1 1 50 2  19 o 0.3579000      0.9393000     ?             ?      
1 1 1 50 2  20 o 0.7580000      1.022000      ?             ?      
1 1 1 50 2  21 o 0.8886000      0.9864000     ?             ?      
1 1 1 50 2  22 o 0.2915000      1.153000      ?             ?      
1 1 1 50 2  23 o -1.123000      1.114000      ?             ?      
1 1 1 50 2  24 o -1.528000      1.094000      ?             ?      
1 1 1 50 2  25 o 1.143000       1.409000      ?             ?      
1 1 1 50 2  26 o 1.567000       1.939000      ?             ?      
1 1 1 50 2  27 o 0.5477000E-01  1.223000      ?             ?      
1 1 1 50 2  28 o -0.4054000     1.209000      ?             ?      
1 1 1 50 2  29 o -0.4230000E-01 1.244000      ?             ?      
1 1 1 50 2  30 o 1.383000       1.314000      ?             ?      
1 1 1 50 2  31 o 1.350000       1.082000      ?             ?      
1 1 1 50 2  32 o -1.646000      1.128000      ?             ?      
1 1 1 50 2  33 o 0.5396000      1.555000      ?             ?      
1 1 1 50 2  34 < 0.000000       -1.000000     ?             ?      
1 1 1 50 3  0  o 0.9262000      1.122000      ?             ?      
1 1 1 50 3  1  o -0.1677000     0.7957000     ?             ?      
1 1 1 50 3  2  o 0.4677000      0.7994000     ?             ?      
1 1 1 50 3  3  o 1.197000       0.8008000     ?             ?      
1 1 1 50 3  4  o 0.8760000      0.8167000     ?             ?      
1 1 1 50 3  5  o -0.6964000E-01 0.8368000     ?             ?      
1 1 1 50 3  6  f 0.2388000E-01  0.8346000     ?             ?      
1 1 1 50 3  7  o -0.1031000     0.8360000     ?             ?      
1 1 1 50 3  8  o -0.7226000E-01 0.8514000     ?             ?      
1 1 1 50 3  9  o -0.2431000     0.8552000     ?             ?      
1 1 1 50 3  10 o -0.8314000     0.8606000     ?             ?      
1 1 1 50 3  11 o -1.108000      0.8676000     ?             ?      
1 1 1 50 3  12 o -0.4180000E-01 0.8793000     ?             ?      
1 1 1 50 3  13 o -0.1308000     0.8864000     ?             ?      
1 1 1 50 3  14 o -0.9402000E-01 0.8994000     ?             ?      
1 1 1 50 3  15 o 0.2956000      0.9010000     ?             ?      
1 1 1 50 3  16 o -0.3599000     0.9122000     ?             ?      
1 1 1 50 3  17 o 0.8903000      0.9053000     ?             ?      
1 1 1 50 3  18 o 1.398000       0.9071000     ?             ?      
1 1 1 50 3  19 o 0.1287000      0.9430000     ?             ?      
1 1 1 50 3  20 o 0.3214000      0.9924000     ?             ?      
1 1 1 50 3  21 o -0.5292000     0.9875000     ?             ?      
1 1 1 50 3  22 o 1.158000       1.022000      ?             ?      
1 1 1 50 3  23 o -0.5112000     1.236000      ?             ?      
1 1 1 50 3  24 o 0.3462000      1.454000      ?             ?      
1 1 1 50 3  25 o -0.6456000     1.260000      ?             ?      
1 1 1 50 3  26 o -0.7894000     1.294000      ?             ?      
1 1 1 50 3  27 o -1.858000      1.181000      ?             ?      
1 1 1 50 3  28 o 0.3149000      1.229000      ?             ?      
1 1 1 50 3  29 o 0.3949000      1.198000      ?             ?      
1 1 1 50 3  30 o -0.6665000     1.190000      ?             ?      
1 1 1 50 3  31 o -0.4274000     1.114000      ?             ?      
1 1 1 50 3  32 o 0.1965000      1.055000      ?             ?      
1 1 1 50 3  33 o 0.5226000      1.102000      ?             ?      
1 1 1 50 3  34 < 0.000000       -1.000000     ?             ?      
1 1 1 50 4  0  o -0.1036000     1.138000      ?             ?      
1 1 1 50 4  1  o 1.296000       0.7978000     ?             ?      
1 1 1 50 4  2  o -0.4278000     0.7967000     ?             ?      
1 1 1 50 4  3  o -0.6560000     0.7939000     ?             ?      
1 1 1 50 4  4  o 0.3380000      0.8283000     ?             ?      
1 1 1 50 4  5  o -0.8392000     0.8289000     ?             ?      
1 1 1 50 4  6  o -1.187000      0.8278000     ?             ?      
1 1 1 50 4  7  o -0.7153000     0.8279000     ?             ?      
1 1 1 50 4  8  o -0.7772000E-01 0.8524000     ?             ?      
1 1 1 50 4  9  o 0.8821000      0.8564000     ?             ?      
1 1 1 50 4  10 o 0.3065000      0.8577000     ?             ?      
1 1 1 50 4  11 o 0.1425000      0.8636000     ?             ?      
1 1 1 50 4  12 o -1.788000      0.8675000     ?             ?      
1 1 1 50 4  13 o -0.4513000     0.8870000     ?             ?      
1 1 1 50 4  14 o -0.1319000E-01 0.8940000     ?             ?      
1 1 1 50 4  15 o -0.7644000E-01 0.8936000     ?             ?      
1 1 1 50 4  16 o 0.9723000      0.9003000     ?             ?      
1 1 1 50 4  17 o 0.6571000      0.9075000     ?             ?      
1 1 1 50 4  18 o 0.6948000      0.9153000     ?             ?      
1 1 1 50 4  19 o -0.9886000     1.020000      ?             ?      
1 1 1 50 4  20 o 0.6209000      0.9894000     ?             ?      
1 1 1 50 4  21 o -0.3351000E-01 1.024000      ?             ?      
1 1 1 50 4  22 o 0.2789000E-01  1.063000      ?             ?      
1 1 1 50 4  23 o -1.043000      1.198000      ?             ?      
1 1 1 50 4  24 o 0.4284000      1.427000      ?             ?      
1 1 1 50 4  25 o -0.8131000E-01 1.198000      ?             ?      
1 1 1 50 4  26 o 0.9175000      1.521000      ?             ?      
1 1 1 50 4  27 o -1.737000      1.211000      ?             ?      
1 1 1 50 4  28 o -2.555000      1.712000      ?             ?      
1 1 1 50 4  29 o 0.3997000      1.179000      ?             ?      
1 1 1 50 4  30 o -0.7388000     1.147000      ?             ?      
1 1 1 50 4  31 o -1.348000      1.110000      ?             ?      
1 1 1 50 4  32 o 0.3775000      0.9836000     ?             ?      
1 1 1 50 4  33 o -2.265000      1.674000      ?             ?      
1 1 1 50 4  34 < 0.000000       -1.000000     ?             ?      
1 1 1 50 5  0  o -0.2416000     1.118000      ?             ?      
1 1 1 50 5  1  o 0.4736000      0.7945000     ?             ?      
1 1 1 50 5  2  o -1.219000      0.7935000     ?             ?      
1 1 1 50 5  3  o -0.4987000     0.7970000     ?             ?      
1 1 1 50 5  4  o -1.037000      0.8087000     ?             ?      
1 1 1 50 5  5  o 1.200000       0.8299000     ?             ?      
1 1 1 50 5  6  o -0.7947000     0.8266000     ?             ?      
1 1 1 50 5  7  o 0.7686000      0.8275000     ?             ?      
1 1 1 50 5  8  o -0.4204000     0.8513000     ?             ?      
1 1 1 50 5  9  o 0.1006000      0.8579000     ?             ?      
1 1 1 50 5  10 o -0.8591000     0.8717000     ?             ?      
1 1 1 50 5  11 o -0.6248000     0.8706000     ?             ?      
1 1 1 50 5  12 o -1.146000      0.8708000     ?             ?      
1 1 1 50 5  13 o -0.9718000     0.8810000     ?             ?      
1 1 1 50 5  14 o 1.164000       0.8898000     ?             ?      
1 1 1 50 5  15 o 0.1150000      0.9060000     ?             ?      
1 1 1 50 5  16 o -0.5346000E-01 0.8976000     ?             ?      
1 1 1 50 5  17 o 0.5876000E-01  0.8985000     ?             ?      
1 1 1 50 5  18 o 0.4991000      0.9471000     ?             ?      
1 1 1 50 5  19 o 0.9475000      1.032000      ?             ?      
1 1 1 50 5  20 o 0.8894000      1.021000      ?             ?      
1 1 1 50 5  21 o -1.175000      1.043000      ?             ?      
1 1 1 50 5  22 o 0.2163000      1.036000      ?             ?      
1 1 1 50 5  23 o -1.884000      1.301000      ?             ?      
1 1 1 50 5  24 o -0.2695000     1.351000      ?             ?      
1 1 1 50 5  25 o -0.8316000     1.436000      ?             ?      
1 1 1 50 5  26 o -0.2676000     1.481000      ?             ?      
1 1 1 50 5  27 o 1.082000       1.142000      ?             ?      
1 1 1 50 5  28 o 0.7540000      1.189000      ?             ?      
1 1 1 50 5  29 o 0.3688000      1.183000      ?             ?      
1 1 1 50 5  30 o -1.954000      1.142000      ?             ?      
1 1 1 50 5  31 o 0.7555000E-01  0.9752000     ?             ?      
1 1 1 50 5  32 o -0.8143000     1.013000      ?             ?      
1 1 1 50 5  33 o -0.7932000     1.099000      ?             ?      
1 1 1 50 6  0  o -1.435000      1.134000      ?             ?      
1 1 1 50 6  1  o 0.6029000      0.8007000     ?             ?      
1 1 1 50 6  2  o 0.4667000      0.7879000     ?             ?      
1 1 1 50 6  3  o 0.6996000      0.8073000     ?             ?      
1 1 1 50 6  4  o 0.1463000      0.8100000     ?             ?      
1 1 1 50 6  5  o 0.4320000      0.8099000     ?             ?      
1 1 1 50 6  6  o 0.2262000      0.8180000     ?             ?      
1 1 1 50 6  7  o -0.4016000     0.8222000     ?             ?      
1 1 1 50 6  8  o -1.506000      0.8226000     ?             ?      
1 1 1 50 6  9  o 0.7102000      0.8604000     ?             ?      
1 1 1 50 6  10 o -0.4027000     0.8612000     ?             ?      
1 1 1 50 6  11 o -0.4281000     0.8736000     ?             ?      
1 1 1 50 6  12 o -1.009000      0.8794000     ?             ?      
1 1 1 50 6  13 o -1.284000      0.8799000     ?             ?      
1 1 1 50 6  14 o 0.2533000      0.8894000     ?             ?      
1 1 1 50 6  15 o -1.667000      0.8878000     ?             ?      
1 1 1 50 6  16 o 0.6866000      0.9548000     ?             ?      
1 1 1 50 6  17 o -0.9681000     0.9800000     ?             ?      
1 1 1 50 6  18 o -2.732000      1.055000      ?             ?      
1 1 1 50 6  19 o -1.128000      1.007000      ?             ?      
1 1 1 50 6  20 o 0.2356000      0.9865000     ?             ?      
1 1 1 50 6  21 o -0.3619000     1.030000      ?             ?      
1 1 1 50 6  22 o -0.8494000     1.059000      ?             ?      
1 1 1 50 6  23 f -0.2436000     1.320000      ?             ?      
1 1 1 50 6  24 o -1.392000      1.388000      ?             ?      
1 1 1 50 6  25 o 0.3081000      1.292000      ?             ?      
1 1 1 50 6  26 o -1.970000      1.594000      ?             ?      
1 1 1 50 6  27 o 0.1988000      1.139000      ?             ?      
1 1 1 50 6  28 o -3.359000      1.716000      ?             ?      
1 1 1 50 6  29 o 1.894000       1.088000      ?             ?      
1 1 1 50 6  30 o 0.9551000      1.052000      ?             ?      
1 1 1 50 6  31 o -0.9264000     1.026000      ?             ?      
1 1 1 50 6  32 o 1.203000       0.9883000     ?             ?      
1 1 1 50 6  33 o -0.8178000     1.431000      ?             ?      
1 1 1 50 7  0  o 1.447000       1.141000      ?             ?      
1 1 1 50 7  1  o -0.2727000     0.7988000     ?             ?      
1 1 1 50 7  2  o -1.197000      0.7900000     ?             ?      
1 1 1 50 7  3  o -1.523000      0.8086000     ?             ?      
1 1 1 50 7  4  o 0.3107000      0.8111000     ?             ?      
1 1 1 50 7  5  o -0.2208000     0.8154000     ?             ?      
1 1 1 50 7  6  o -0.6782000     0.8249000     ?             ?      
1 1 1 50 7  7  o -1.172000      0.8207000     ?             ?      
1 1 1 50 7  8  o 0.3333000      0.8288000     ?             ?      
1 1 1 50 7  9  o 1.155000       0.8639000     ?             ?      
1 1 1 50 7  10 o -0.6835000     0.8662000     ?             ?      
1 1 1 50 7  11 o -1.801000      0.8715000     ?             ?      
1 1 1 50 7  12 o 0.4391000      0.8802000     ?             ?      
1 1 1 50 7  13 o -0.6379000     0.8851000     ?             ?      
1 1 1 50 7  14 o 0.7290000      0.9615000     ?             ?      
1 1 1 50 7  15 o -0.2605000E-01 1.002000      ?             ?      
1 1 1 50 7  16 o 0.5100000      0.9320000     ?             ?      
1 1 1 50 7  17 o 0.4635000E-01  1.036000      ?             ?      
1 1 1 50 7  18 o -0.1126000     1.003000      ?             ?      
1 1 1 50 7  19 o 0.2315000      1.005000      ?             ?      
1 1 1 50 7  20 o 0.6111000      1.026000      ?             ?      
1 1 1 50 7  21 f -0.6076000     1.032000      ?             ?      
1 1 1 50 7  22 o -1.645000      1.119000      ?             ?      
1 1 1 50 7  23 o 0.4410000      1.334000      ?             ?      
1 1 1 50 7  24 o 0.9055000E-01  1.264000      ?             ?      
1 1 1 50 7  25 o 2.475000       1.277000      ?             ?      
1 1 1 50 7  26 o -0.9620000     2.086000      ?             ?      
1 1 1 50 7  27 o -0.2286000     1.165000      ?             ?      
1 1 1 50 7  28 o -1.402000      1.076000      ?             ?      
1 1 1 50 7  29 o -0.1117000     1.082000      ?             ?      
1 1 1 50 7  30 o 0.8392000      1.027000      ?             ?      
1 1 1 50 7  31 o 0.3829000      1.028000      ?             ?      
1 1 1 50 7  32 o -0.9800000     1.032000      ?             ?      
1 1 1 50 7  33 o -1.121000      2.892000      ?             ?      
1 1 1 50 8  0  o -1.853000      1.140000      ?             ?      
1 1 1 50 8  1  o 0.9009000      0.8027000     ?             ?      
1 1 1 50 8  2  o -0.4743000     0.8214000     ?             ?      
1 1 1 50 8  3  o 0.2555000      0.8152000     ?             ?      
1 1 1 50 8  4  o 1.217000       0.8200000     ?             ?      
1 1 1 50 8  5  o -1.040000      0.8136000     ?             ?      
1 1 1 50 8  6  o -0.5148000     0.8133000     ?             ?      
1 1 1 50 8  7  o -0.8742000     0.8199000     ?             ?      
1 1 1 50 8  8  o -0.9410000     0.8465000     ?             ?      
1 1 1 50 8  9  o -1.580000      0.8510000     ?             ?      
1 1 1 50 8  10 o -0.3244000     0.8653000     ?             ?      
1 1 1 50 8  11 o 0.2979000      0.9384000     ?             ?      
1 1 1 50 8  12 o 0.1626000      0.9470000     ?             ?      
1 1 1 50 8  13 o 0.5425000      0.9251000     ?             ?      
1 1 1 50 8  14 o 0.6197000      0.9264000     ?             ?      
1 1 1 50 8  15 o -1.010000      0.8906000     ?             ?      
1 1 1 50 8  16 o -0.2693000     0.9137000     ?             ?      
1 1 1 50 8  17 o -0.2350000     1.023000      ?             ?      
1 1 1 50 8  18 o -0.8788000     0.9999000     ?             ?      
1 1 1 50 8  19 o 0.3981000      1.004000      ?             ?      
1 1 1 50 8  20 o 0.2298000      1.031000      ?             ?      
1 1 1 50 8  21 o -1.606000      1.114000      ?             ?      
1 1 1 50 8  22 o -1.223000      1.123000      ?             ?      
1 1 1 50 8  23 o -0.1253000     1.394000      ?             ?      
1 1 1 50 8  24 o 0.2306000      1.260000      ?             ?      
1 1 1 50 8  25 o 2.658000       2.134000      ?             ?      
1 1 1 50 8  26 o -1.494000      2.002000      ?             ?      
1 1 1 50 8  27 o -1.029000      1.407000      ?             ?      
1 1 1 50 8  28 o 0.7871000      1.088000      ?             ?      
1 1 1 50 8  29 o -0.3828000     0.9898000     ?             ?      
1 1 1 50 8  30 o -0.9202000     0.9960000     ?             ?      
1 1 1 50 8  31 o 0.1042000      1.019000      ?             ?      
1 1 1 50 8  32 o 2.410000       1.921000      ?             ?      
1 1 1 50 8  33 o -4.533000      2.816000      ?             ?      
1 1 1 50 9  0  o 0.1343000      1.146000      ?             ?      
1 1 1 50 9  1  o -0.3630000     0.8075000     ?             ?      
1 1 1 50 9  2  o -0.3592000     0.8194000     ?             ?      
1 1 1 50 9  3  o -0.8765000E-01 0.8164000     ?             ?      
1 1 1 50 9  4  o 0.3366000E-01  0.8201000     ?             ?      
1 1 1 50 9  5  o 0.5684000      0.8354000     ?             ?      
1 1 1 50 9  6  o -0.8592000E-01 0.8396000     ?             ?      
1 1 1 50 9  7  o -0.4166000     0.8235000     ?             ?      
1 1 1 50 9  8  o 0.6177000      0.8379000     ?             ?      
1 1 1 50 9  9  o -0.3680000E-01 0.9090000     ?             ?      
1 1 1 50 9  10 o -0.9337000     0.9783000     ?             ?      
1 1 1 50 9  11 o -0.5208000     0.9103000     ?             ?      
1 1 1 50 9  12 o -1.804000      0.8758000     ?             ?      
1 1 1 50 9  13 f -0.2816000     0.8944000     ?             ?      
1 1 1 50 9  14 o 0.8360000E-01  0.8868000     ?             ?      
1 1 1 50 9  15 f -0.3956000     0.8938000     ?             ?      
1 1 1 50 9  16 o -1.484000      0.9272000     ?             ?      
1 1 1 50 9  17 o 1.088000       1.017000      ?             ?      
1 1 1 50 9  18 o -0.8262000     1.004000      ?             ?      
1 1 1 50 9  19 o -0.9285000     1.009000      ?             ?      
1 1 1 50 9  20 o 0.8017000      1.120000      ?             ?      
1 1 1 50 9  21 o -1.541000      1.118000      ?             ?      
1 1 1 50 9  22 o 0.6824000      1.147000      ?             ?      
1 1 1 50 9  23 o 0.3132000      1.930000      ?             ?      
1 1 1 50 9  24 o -0.3401000     1.136000      ?             ?      
1 1 1 50 9  25 o -0.4107000     2.063000      ?             ?      
1 1 1 50 9  26 o -0.5684000     2.027000      ?             ?      
1 1 1 50 9  27 o 0.3255000      1.578000      ?             ?      
1 1 1 50 9  28 o -0.4562000     1.098000      ?             ?      
1 1 1 50 9  29 o -0.3609000     1.085000      ?             ?      
1 1 1 50 9  30 o -0.3808000     1.099000      ?             ?      
1 1 1 50 9  31 o -0.1151000     1.046000      ?             ?      
1 1 1 50 9  32 o -3.656000      1.415000      ?             ?      
1 1 1 50 10 0  o -0.8948000     1.146000      ?             ?      
1 1 1 50 10 1  o 0.9115000      0.8318000     ?             ?      
1 1 1 50 10 2  o -0.4202000E-01 0.8454000     ?             ?      
1 1 1 50 10 3  o 0.8369000      0.8408000     ?             ?      
1 1 1 50 10 4  o -0.8000000     0.8181000     ?             ?      
1 1 1 50 10 5  o -0.7252000     0.8172000     ?             ?      
1 1 1 50 10 6  o -1.102000      0.8860000     ?             ?      
1 1 1 50 10 7  o -0.6884000     0.8983000     ?             ?      
1 1 1 50 10 8  o 0.7136000      0.8847000     ?             ?      
1 1 1 50 10 9  o -0.6041000     0.8812000     ?             ?      
1 1 1 50 10 10 o -0.8826000E-01 0.8689000     ?             ?      
1 1 1 50 10 11 o 0.6332000      0.8760000     ?             ?      
1 1 1 50 10 12 o -0.5398000     0.8810000     ?             ?      
1 1 1 50 10 13 o -0.4792000     0.8863000     ?             ?      
1 1 1 50 10 14 o 0.2172000      0.8904000     ?             ?      
1 1 1 50 10 15 o -0.3424000     0.9078000     ?             ?      
1 1 1 50 10 16 o -0.2112000     1.025000      ?             ?      
1 1 1 50 10 17 o -1.136000      0.9971000     ?             ?      
1 1 1 50 10 18 o -0.6348000     1.003000      ?             ?      
1 1 1 50 10 19 o 0.9026000      1.017000      ?             ?      
1 1 1 50 10 20 o -0.9624000     1.134000      ?             ?      
1 1 1 50 10 21 o -1.288000      1.142000      ?             ?      
1 1 1 50 10 22 o 0.7175000      1.370000      ?             ?      
1 1 1 50 10 23 f -0.7090000     1.813000      ?             ?      
1 1 1 50 10 24 o -2.680000      2.169000      ?             ?      
1 1 1 50 10 25 o -2.328000      2.054000      ?             ?      
1 1 1 50 10 26 o 0.3814000      2.798000      ?             ?      
1 1 1 50 10 27 o 1.213000       2.139000      ?             ?      
1 1 1 50 10 28 o -0.3045000     1.118000      ?             ?      
1 1 1 50 10 29 o -1.018000      1.013000      ?             ?      
1 1 1 50 10 30 o -0.1615000     1.002000      ?             ?      
1 1 1 50 10 31 o 0.9849000      1.057000      ?             ?      
1 1 1 50 10 32 o 0.1100000      2.745000      ?             ?      
1 1 1 50 11 0  o -2.087000      1.200000      ?             ?      
1 1 1 50 11 1  o 0.7386000E-02  0.8535000     ?             ?      
1 1 1 50 11 2  o -0.4579000     0.8292000     ?             ?      
1 1 1 50 11 3  o -1.063000      0.8259000     ?             ?      
1 1 1 50 11 4  o -1.704000      0.8853000     ?             ?      
1 1 1 50 11 5  o -0.1726000E-01 0.9646000     ?             ?      
1 1 1 50 11 6  o -1.565000      0.8637000     ?             ?      
1 1 1 50 11 7  o -1.011000      0.8272000     ?             ?      
1 1 1 50 11 8  o 0.2751000      0.8324000     ?             ?      
1 1 1 50 11 9  o 1.135000       0.8457000     ?             ?      
1 1 1 50 11 10 o -0.1565000E-01 0.8513000     ?             ?      
1 1 1 50 11 11 o 1.161000       0.8766000     ?             ?      
1 1 1 50 11 12 o 0.5583000      0.8936000     ?             ?      
1 1 1 50 11 13 o -0.5621000     0.8794000     ?             ?      
1 1 1 50 11 14 o -0.4346000     0.8925000     ?             ?      
1 1 1 50 11 15 o -0.5304000     0.9256000     ?             ?      
1 1 1 50 11 16 o -0.2432000     1.005000      ?             ?      
1 1 1 50 11 17 o 1.065000       1.007000      ?             ?      
1 1 1 50 11 18 o 0.6338000      1.009000      ?             ?      
1 1 1 50 11 19 o -1.030000      1.110000      ?             ?      
1 1 1 50 11 20 o 0.3584000      1.200000      ?             ?      
1 1 1 50 11 21 o 1.158000       1.400000      ?             ?      
1 1 1 50 11 22 o 0.3008000      1.457000      ?             ?      
1 1 1 50 11 23 o -0.6273000     2.211000      ?             ?      
1 1 1 50 11 24 o 1.092000       1.209000      ?             ?      
1 1 1 50 11 25 o 3.571000       2.066000      ?             ?      
1 1 1 50 11 26 o -0.3781000     1.557000      ?             ?      
1 1 1 50 11 27 o -0.5266000     1.262000      ?             ?      
1 1 1 50 11 28 o -1.284000      1.119000      ?             ?      
1 1 1 50 11 29 o -0.7940000     1.116000      ?             ?      
1 1 1 50 11 30 o 0.7886000      1.020000      ?             ?      
1 1 1 50 11 31 o 0.4321000      1.222000      ?             ?      
1 1 1 50 12 0  o -1.005000      1.192000      ?             ?      
1 1 1 50 12 1  o 0.5809000E-02  0.8872000     ?             ?      
1 1 1 50 12 2  o -2.146000      1.038000      ?             ?      
1 1 1 50 12 3  o 0.6187000      0.9131000     ?             ?      
1 1 1 50 12 4  o -0.9910000     0.8257000     ?             ?      
1 1 1 50 12 5  o 0.3196000      0.8315000     ?             ?      
1 1 1 50 12 6  o -1.344000      0.8350000     ?             ?      
1 1 1 50 12 7  o 0.2007000      0.8316000     ?             ?      
1 1 1 50 12 8  o -0.6088000     0.8342000     ?             ?      
1 1 1 50 12 9  o 0.2912000      0.8382000     ?             ?      
1 1 1 50 12 10 o -0.4017000     0.8465000     ?             ?      
1 1 1 50 12 11 o 0.3957000      0.8765000     ?             ?      
1 1 1 50 12 12 o 2.204000       0.8929000     ?             ?      
1 1 1 50 12 13 o -1.225000      0.8894000     ?             ?      
1 1 1 50 12 14 o -0.9340000     0.9000000     ?             ?      
1 1 1 50 12 15 o 0.8287000      1.036000      ?             ?      
1 1 1 50 12 16 o 0.5808000      1.009000      ?             ?      
1 1 1 50 12 17 o -0.8168000     1.018000      ?             ?      
1 1 1 50 12 18 o 1.014000       1.145000      ?             ?      
1 1 1 50 12 19 o -0.2874000     1.150000      ?             ?      
1 1 1 50 12 20 o 0.4074000      1.211000      ?             ?      
1 1 1 50 12 21 o -2.079000      1.471000      ?             ?      
1 1 1 50 12 22 o -1.376000      1.743000      ?             ?      
1 1 1 50 12 23 o 0.5054000      1.229000      ?             ?      
1 1 1 50 12 24 o -1.287000      2.037000      ?             ?      
1 1 1 50 12 25 o 1.926000       2.791000      ?             ?      
1 1 1 50 12 26 o 0.5354000      1.383000      ?             ?      
1 1 1 50 12 27 o -1.666000      1.249000      ?             ?      
1 1 1 50 12 28 o -0.3926000     1.094000      ?             ?      
1 1 1 50 12 29 o -0.4463000     1.122000      ?             ?      
1 1 1 50 12 30 o 1.800000       1.205000      ?             ?      
1 1 1 50 12 31 o 0.6811000      2.837000      ?             ?      
1 1 1 50 13 0  o -0.2319000     1.356000      ?             ?      
1 1 1 50 13 1  o -0.7765000     0.9555000     ?             ?      
1 1 1 50 13 2  o 0.7465000      0.8816000     ?             ?      
1 1 1 50 13 3  o 0.9225000      0.8321000     ?             ?      
1 1 1 50 13 4  o -0.5158000     0.8497000     ?             ?      
1 1 1 50 13 5  o -0.3810000     0.8475000     ?             ?      
1 1 1 50 13 6  o 0.7846000      0.8348000     ?             ?      
1 1 1 50 13 7  o -0.8474000     0.8315000     ?             ?      
1 1 1 50 13 8  o -1.528000      0.8440000     ?             ?      
1 1 1 50 13 9  o -0.2116000     0.8437000     ?             ?      
1 1 1 50 13 10 o 0.6716000      0.8611000     ?             ?      
1 1 1 50 13 11 o -1.151000      0.8784000     ?             ?      
1 1 1 50 13 12 o 0.2477000      0.8848000     ?             ?      
1 1 1 50 13 13 o 0.1381000      0.8888000     ?             ?      
1 1 1 50 13 14 o -0.2947000     0.9262000     ?             ?      
1 1 1 50 13 15 o 0.8521000      1.052000      ?             ?      
1 1 1 50 13 16 o 0.7500000      1.054000      ?             ?      
1 1 1 50 13 17 o -0.4381000     1.076000      ?             ?      
1 1 1 50 13 18 o -1.117000      1.158000      ?             ?      
1 1 1 50 13 19 o 0.8833000      1.326000      ?             ?      
1 1 1 50 13 20 o 0.5714000      1.774000      ?             ?      
1 1 1 50 13 21 o -2.959000      1.381000      ?             ?      
1 1 1 50 13 22 o 0.7174000      1.264000      ?             ?      
1 1 1 50 13 23 o -1.555000      2.001000      ?             ?      
1 1 1 50 13 24 o -2.826000      1.505000      ?             ?      
1 1 1 50 13 25 o -0.3635000E-01 1.494000      ?             ?      
1 1 1 50 13 26 o 1.753000       1.251000      ?             ?      
1 1 1 50 13 27 o 1.153000       1.255000      ?             ?      
1 1 1 50 13 28 o -0.8759000     1.102000      ?             ?      
1 1 1 50 13 29 o -0.4030000     1.125000      ?             ?      
1 1 1 50 13 30 o 2.315000       1.546000      ?             ?      
1 1 1 50 14 0  o 0.1447000      1.199000      ?             ?      
1 1 1 50 14 1  o 0.1382000      0.8423000     ?             ?      
1 1 1 50 14 2  o -0.5865000     0.8863000     ?             ?      
1 1 1 50 14 3  f 0.1341000      0.9745000     ?             ?      
1 1 1 50 14 4  o 0.9517000      0.8748000     ?             ?      
1 1 1 50 14 5  o -0.2601000     0.8308000     ?             ?      
1 1 1 50 14 6  o 0.2870000      0.8342000     ?             ?      
1 1 1 50 14 7  o 1.068000       0.8639000     ?             ?      
1 1 1 50 14 8  o -0.4197000     0.8731000     ?             ?      
1 1 1 50 14 9  o 0.1569000      0.8526000     ?             ?      
1 1 1 50 14 10 o -0.3070000     0.8485000     ?             ?      
1 1 1 50 14 11 o 0.2485000      0.9026000     ?             ?      
1 1 1 50 14 12 o -0.4305000     0.9288000     ?             ?      
1 1 1 50 14 13 o -0.1640000     0.9401000     ?             ?      
1 1 1 50 14 14 o -0.5521000E-01 1.090000      ?             ?      
1 1 1 50 14 15 o -0.7262000     1.061000      ?             ?      
1 1 1 50 14 16 o -0.5674000E-01 1.058000      ?             ?      
1 1 1 50 14 17 o -0.3158000     1.249000      ?             ?      
1 1 1 50 14 18 o 0.6894000      1.142000      ?             ?      
1 1 1 50 14 19 o -0.7163000     1.397000      ?             ?      
1 1 1 50 14 20 o 1.419000       1.474000      ?             ?      
1 1 1 50 14 21 o 1.109000       1.265000      ?             ?      
1 1 1 50 14 22 o 2.376000       1.553000      ?             ?      
1 1 1 50 14 23 o -1.403000      1.490000      ?             ?      
1 1 1 50 14 24 o -0.1496000     1.478000      ?             ?      
1 1 1 50 14 25 o -0.5335000     1.092000      ?             ?      
1 1 1 50 14 26 o 0.2369000      1.237000      ?             ?      
1 1 1 50 14 27 o -1.200000      1.246000      ?             ?      
1 1 1 50 14 28 o 0.5776000      1.120000      ?             ?      
1 1 1 50 14 29 o -0.2023000     1.530000      ?             ?      
1 1 1 50 14 30 o 3.118000       2.946000      ?             ?      
1 1 1 50 15 0  o 0.2416000      1.196000      ?             ?      
1 1 1 50 15 1  o -0.6983000E-01 0.8419000     ?             ?      
1 1 1 50 15 2  o 0.4501000      0.8433000     ?             ?      
1 1 1 50 15 3  o 0.3998000      0.8386000     ?             ?      
1 1 1 50 15 4  f 0.4547000E-01  0.8485000     ?             ?      
1 1 1 50 15 5  o 0.5991000      0.9090000     ?             ?      
1 1 1 50 15 6  o -1.675000      0.9972000     ?             ?      
1 1 1 50 15 7  o -0.2411000     0.8892000     ?             ?      
1 1 1 50 15 8  o 0.5586000      0.8527000     ?             ?      
1 1 1 50 15 9  o -1.697000      0.8539000     ?             ?      
1 1 1 50 15 10 o 0.7684000E-01  0.9302000     ?             ?      
1 1 1 50 15 11 o -1.193000      0.8856000     ?             ?      
1 1 1 50 15 12 o -0.6567000E-01 0.9571000     ?             ?      
1 1 1 50 15 13 o -0.5718000     0.9047000     ?             ?      
1 1 1 50 15 14 o 0.1494000      1.106000      ?             ?      
1 1 1 50 15 15 o 0.1277000      1.117000      ?             ?      
1 1 1 50 15 16 o 0.7485000      1.139000      ?             ?      
1 1 1 50 15 17 o -0.2218000     1.156000      ?             ?      
1 1 1 50 15 18 o 0.8415000      1.408000      ?             ?      
1 1 1 50 15 19 o -1.173000      1.441000      ?             ?      
1 1 1 50 15 20 o 0.4749000      1.398000      ?             ?      
1 1 1 50 15 21 o -0.1562000E-01 1.247000      ?             ?      
1 1 1 50 15 22 o 0.2381000      1.519000      ?             ?      
1 1 1 50 15 23 o 2.028000       1.472000      ?             ?      
1 1 1 50 15 24 o -0.1938000E-01 1.079000      ?             ?      
1 1 1 50 15 25 o -1.169000      1.224000      ?             ?      
1 1 1 50 15 26 o -0.2639000E-01 1.259000      ?             ?      
1 1 1 50 15 27 o -1.613000      1.261000      ?             ?      
1 1 1 50 15 28 o 0.7194000      1.115000      ?             ?      
1 1 1 50 15 29 o 2.329000       1.771000      ?             ?      
1 1 1 50 16 0  o 0.7075000E-01  1.204000      ?             ?      
1 1 1 50 16 1  o 0.1525000      0.8400000     ?             ?      
1 1 1 50 16 2  f -1.182000      0.8384000     ?             ?      
1 1 1 50 16 3  o -0.4645000     0.8528000     ?             ?      
1 1 1 50 16 4  o -0.4682000     0.8341000     ?             ?      
1 1 1 50 16 5  o -0.1911000     0.8383000     ?             ?      
1 1 1 50 16 6  o 0.1566000      0.8858000     ?             ?      
1 1 1 50 16 7  o 0.3361000      0.9017000     ?             ?      
1 1 1 50 16 8  o 0.2912000      0.9842000     ?             ?      
1 1 1 50 16 9  o -0.5525000     1.102000      ?             ?      
1 1 1 50 16 10 o -0.2219000     0.9875000     ?             ?      
1 1 1 50 16 11 o 0.2170000      0.8721000     ?             ?      
1 1 1 50 16 12 o 1.055000       0.9139000     ?             ?      
1 1 1 50 16 13 o -0.9859000     0.9467000     ?             ?      
1 1 1 50 16 14 o 1.191000       1.055000      ?             ?      
1 1 1 50 16 15 o -0.1197000     1.125000      ?             ?      
1 1 1 50 16 16 o -2.283000      1.132000      ?             ?      
1 1 1 50 16 17 o -1.099000      1.415000      ?             ?      
1 1 1 50 16 18 o -0.1643000     1.434000      ?             ?      
1 1 1 50 16 19 o 2.434000       1.481000      ?             ?      
1 1 1 50 16 20 o 0.1519000      1.256000      ?             ?      
1 1 1 50 16 21 o 1.586000       1.308000      ?             ?      
1 1 1 50 16 22 o -0.4025000     1.243000      ?             ?      
1 1 1 50 16 23 o 0.2789000      1.490000      ?             ?      
1 1 1 50 16 24 o 0.4570000      1.490000      ?             ?      
1 1 1 50 16 25 o -1.930000      1.227000      ?             ?      
1 1 1 50 16 26 o -0.1524000     1.257000      ?             ?      
1 1 1 50 16 27 o 0.4035000      1.293000      ?             ?      
1 1 1 50 16 28 o -1.462000      1.465000      ?             ?      
1 1 1 50 16 29 < 0.000000       -1.000000     ?             ?      
1 1 1 50 17 0  o 0.1458000      1.197000      ?             ?      
1 1 1 50 17 1  o -0.4263000     0.8485000     ?             ?      
1 1 1 50 17 2  o -0.5267000     0.8436000     ?             ?      
1 1 1 50 17 3  o -0.3855000     0.8432000     ?             ?      
1 1 1 50 17 4  o 1.110000       0.8771000     ?             ?      
1 1 1 50 17 5  o 0.6440000      0.8793000     ?             ?      
1 1 1 50 17 6  o 0.9670000      0.8542000     ?             ?      
1 1 1 50 17 7  o -0.7512000     0.9480000     ?             ?      
1 1 1 50 17 8  o -0.3586000     0.8644000     ?             ?      
1 1 1 50 17 9  o -1.689000      0.8783000     ?             ?      
1 1 1 50 17 10 o 0.2352000      1.035000      ?             ?      
1 1 1 50 17 11 o -0.2114000     0.9791000     ?             ?      
1 1 1 50 17 12 o -0.6002000     0.9652000     ?             ?      
1 1 1 50 17 13 o 0.4678000      1.186000      ?             ?      
1 1 1 50 17 14 o 0.4531000      1.112000      ?             ?      
1 1 1 50 17 15 o -2.386000      1.148000      ?             ?      
1 1 1 50 17 16 o -1.192000      1.186000      ?             ?      
1 1 1 50 17 17 o -1.799000      1.416000      ?             ?      
1 1 1 50 17 18 o 0.3567000      1.512000      ?             ?      
1 1 1 50 17 19 o -0.5244000     1.268000      ?             ?      
1 1 1 50 17 20 o -2.782000      1.265000      ?             ?      
1 1 1 50 17 21 o 0.6038000E-01  1.295000      ?             ?      
1 1 1 50 17 22 o -0.9746000     1.263000      ?             ?      
1 1 1 50 17 23 o -0.7420000     1.472000      ?             ?      
1 1 1 50 17 24 o 0.9068000      1.484000      ?             ?      
1 1 1 50 17 25 o -1.138000      1.213000      ?             ?      
1 1 1 50 17 26 o 1.121000       1.263000      ?             ?      
1 1 1 50 17 27 o 1.116000       1.469000      ?             ?      
1 1 1 50 17 28 < 0.000000       -1.000000     ?             ?      
1 1 1 50 18 0  o -1.060000      1.204000      ?             ?      
1 1 1 50 18 1  o 0.1285000      0.8557000     ?             ?      
1 1 1 50 18 2  o 0.4672000      0.8982000     ?             ?      
1 1 1 50 18 3  o 1.618000       0.9038000     ?             ?      
1 1 1 50 18 4  o 0.4432000      0.9555000     ?             ?      
1 1 1 50 18 5  o -0.3551000     0.9403000     ?             ?      
1 1 1 50 18 6  o -0.2221000     0.8611000     ?             ?      
1 1 1 50 18 7  o -0.1519000     0.8725000     ?             ?      
1 1 1 50 18 8  o -0.7408000     0.8651000     ?             ?      
1 1 1 50 18 9  o 0.7634000E-01  0.8733000     ?             ?      
1 1 1 50 18 10 o 0.5842000E-01  0.8717000     ?             ?      
1 1 1 50 18 11 o 1.667000       0.8820000     ?             ?      
1 1 1 50 18 12 o 0.8964000      0.8987000     ?             ?      
1 1 1 50 18 13 o 0.8159000      1.137000      ?             ?      
1 1 1 50 18 14 o -0.5317000     1.348000      ?             ?      
1 1 1 50 18 15 o -1.311000      1.414000      ?             ?      
1 1 1 50 18 16 o -3.988000      1.450000      ?             ?      
1 1 1 50 18 17 o 0.5712000      1.498000      ?             ?      
1 1 1 50 18 18 o 0.6051000      1.278000      ?             ?      
1 1 1 50 18 19 o 0.9177000      1.261000      ?             ?      
1 1 1 50 18 20 o -0.8645000     1.159000      ?             ?      
1 1 1 50 18 21 o 0.9119000      1.247000      ?             ?      
1 1 1 50 18 22 o -1.214000      1.264000      ?             ?      
1 1 1 50 18 23 o 0.8964000      1.496000      ?             ?      
1 1 1 50 18 24 o -1.745000      1.230000      ?             ?      
1 1 1 50 18 25 o 0.5222000      1.222000      ?             ?      
1 1 1 50 18 26 o -0.3228000     1.475000      ?             ?      
1 1 1 50 18 27 o -1.685000      2.776000      ?             ?      
1 1 1 50 19 0  o -1.909000      1.321000      ?             ?      
1 1 1 50 19 1  o 0.2723000      1.014000      ?             ?      
1 1 1 50 19 2  o -0.6864000     0.9711000     ?             ?      
1 1 1 50 19 3  o 0.5161000      0.8631000     ?             ?      
1 1 1 50 19 4  o -0.6901000     0.8644000     ?             ?      
1 1 1 50 19 5  o 0.1711000      0.8725000     ?             ?      
1 1 1 50 19 6  o 1.430000       0.8618000     ?             ?      
1 1 1 50 19 7  o -0.4393000     0.8585000     ?             ?      
1 1 1 50 19 8  o 1.449000       0.8786000     ?             ?      
1 1 1 50 19 9  o -1.395000      0.9361000     ?             ?      
1 1 1 50 19 10 o -0.7979000     0.8716000     ?             ?      
1 1 1 50 19 11 o 0.6876000      0.8781000     ?             ?      
1 1 1 50 19 12 o 1.101000       0.9450000     ?             ?      
1 1 1 50 19 13 o 2.043000       1.128000      ?             ?      
1 1 1 50 19 14 o -0.2301000     1.140000      ?             ?      
1 1 1 50 19 15 o 0.6371000      1.434000      ?             ?      
1 1 1 50 19 16 o 0.2034000E-01  1.440000      ?             ?      
1 1 1 50 19 17 o -1.978000      1.643000      ?             ?      
1 1 1 50 19 18 o -0.7122000     1.587000      ?             ?      
1 1 1 50 19 19 o -0.4786000     1.159000      ?             ?      
1 1 1 50 19 20 o -0.5933000     1.314000      ?             ?      
1 1 1 50 19 21 o -0.2286000     1.477000      ?             ?      
1 1 1 50 19 22 o 0.2604000      1.473000      ?             ?      
1 1 1 50 19 23 o -1.016000      1.462000      ?             ?      
1 1 1 50 19 24 o 0.3401000E-01  1.227000      ?             ?      
1 1 1 50 19 25 o -1.394000      1.446000      ?             ?      
1 1 1 50 19 26 < 0.000000       -1.000000     ?             ?      
1 1 1 50 20 0  o 1.396000       1.281000      ?             ?      
1 1 1 50 20 1  o 0.5986000      0.9844000     ?             ?      
1 1 1 50 20 2  o -1.856000      0.8841000     ?             ?      
1 1 1 50 20 3  o -0.2228000     0.8980000     ?             ?      
1 1 1 50 20 4  o -0.4260000     0.9047000     ?             ?      
1 1 1 50 20 5  o 1.681000       0.8826000     ?             ?      
1 1 1 50 20 6  o 1.567000       0.8597000     ?             ?      
1 1 1 50 20 7  o 1.378000       0.8607000     ?             ?      
1 1 1 50 20 8  o 1.659000       0.8710000     ?             ?      
1 1 1 50 20 9  o 0.5786000      0.8847000     ?             ?      
1 1 1 50 20 10 o -0.5988000     0.8776000     ?             ?      
1 1 1 50 20 11 o -0.2656000     0.9138000     ?             ?      
1 1 1 50 20 12 o 0.5093000      1.058000      ?             ?      
1 1 1 50 20 13 o 0.3981000      1.133000      ?             ?      
1 1 1 50 20 14 o -1.411000      1.430000      ?             ?      
1 1 1 50 20 15 o -1.505000      1.046000      ?             ?      
1 1 1 50 20 16 o -1.192000      2.300000      ?             ?      
1 1 1 50 20 17 o -0.4601000     1.284000      ?             ?      
1 1 1 50 20 18 o -0.5148000     1.276000      ?             ?      
1 1 1 50 20 19 o -0.3716000     1.162000      ?             ?      
1 1 1 50 20 20 o 0.6284000      1.288000      ?             ?      
1 1 1 50 20 21 o -0.4481000E-01 1.459000      ?             ?      
1 1 1 50 20 22 o -2.211000      1.466000      ?             ?      
1 1 1 50 20 23 o 0.8047000      1.283000      ?             ?      
1 1 1 50 20 24 o 0.5259000      1.469000      ?             ?      
1 1 1 50 20 25 < 0.000000       -1.000000     ?             ?      
1 1 1 50 21 0  o 2.033000       1.257000      ?             ?      
1 1 1 50 21 1  o -0.1261000     0.8861000     ?             ?      
1 1 1 50 21 2  o -0.1369000     0.8809000     ?             ?      
1 1 1 50 21 3  o -0.5877000     0.9653000     ?             ?      
1 1 1 50 21 4  o 0.4820000      0.9729000     ?             ?      
1 1 1 50 21 5  o -0.4935000     0.8875000     ?             ?      
1 1 1 50 21 6  o 1.498000       0.9179000     ?             ?      
1 1 1 50 21 7  o 0.8804000E-01  0.8877000     ?             ?      
1 1 1 50 21 8  f -0.3377000     0.8682000     ?             ?      
1 1 1 50 21 9  o 0.8737000      0.8791000     ?             ?      
1 1 1 50 21 10 o -0.5612000E-01 0.8868000     ?             ?      
1 1 1 50 21 11 o -0.1817000     0.9263000     ?             ?      
1 1 1 50 21 12 o -1.217000      1.079000      ?             ?      
1 1 1 50 21 13 o 0.4577000      1.451000      ?             ?      
1 1 1 50 21 14 o 0.7859000      1.041000      ?             ?      
1 1 1 50 21 15 o -0.2746000     1.497000      ?             ?      
1 1 1 50 21 16 o -0.9992000     1.259000      ?             ?      
1 1 1 50 21 17 o 2.096000       1.289000      ?             ?      
1 1 1 50 21 18 o 0.5617000E-01  1.131000      ?             ?      
1 1 1 50 21 19 o 0.9251000      1.157000      ?             ?      
1 1 1 50 21 20 o -0.1058000E-01 1.452000      ?             ?      
1 1 1 50 21 21 o -0.4313000     1.471000      ?             ?      
1 1 1 50 21 22 o -3.753000      2.816000      ?             ?      
1 1 1 50 21 23 o -1.119000      2.152000      ?             ?      
1 1 1 50 21 24 o -0.9563000E-01 1.816000      ?             ?      
1 1 1 50 22 0  o -0.3464000     1.250000      ?             ?      
1 1 1 50 22 1  o 0.7510000      0.8902000     ?             ?      
1 1 1 50 22 2  o -0.5769000     0.8833000     ?             ?      
1 1 1 50 22 3  o -0.3597000     0.8768000     ?             ?      
1 1 1 50 22 4  o 0.1674000      0.8812000     ?             ?      
1 1 1 50 22 5  o -0.4234000     0.8839000     ?             ?      
1 1 1 50 22 6  o 0.9140000E-01  0.9771000     ?             ?      
1 1 1 50 22 7  o -0.3578000     0.9747000     ?             ?      
1 1 1 50 22 8  o 1.493000       0.9932000     ?             ?      
1 1 1 50 22 9  o 0.5095000      0.9062000     ?             ?      
1 1 1 50 22 10 o 0.2142000      0.9139000     ?             ?      
1 1 1 50 22 11 o -0.6364000     0.9546000     ?             ?      
1 1 1 50 22 12 o 2.973000       1.294000      ?             ?      
1 1 1 50 22 13 o -0.6398000     1.438000      ?             ?      
1 1 1 50 22 14 o 1.633000       1.485000      ?             ?      
1 1 1 50 22 15 o -0.5901000     1.272000      ?             ?      
1 1 1 50 22 16 o -0.5836000     1.277000      ?             ?      
1 1 1 50 22 17 o -0.4335000     1.137000      ?             ?      
1 1 1 50 22 18 o 0.2048000E-02  1.142000      ?             ?      
1 1 1 50 22 19 o -1.312000      1.304000      ?             ?      
1 1 1 50 22 20 o -2.579000      1.459000      ?             ?      
1 1 1 50 22 21 o 0.2871000      1.480000      ?             ?      
1 1 1 50 22 22 o 1.409000       2.129000      ?             ?      
1 1 1 50 22 23 < 0.000000       -1.000000     ?             ?      
1 1 1 50 23 0  o -0.5628000     1.273000      ?             ?      
1 1 1 50 23 1  o 0.3572000      0.8961000     ?             ?      
1 1 1 50 23 2  o -0.8502000     0.9296000     ?             ?      
1 1 1 50 23 3  o 0.1685000      0.8915000     ?             ?      
1 1 1 50 23 4  o 0.9532000      0.8866000     ?             ?      
1 1 1 50 23 5  o -1.128000      0.8934000     ?             ?      
1 1 1 50 23 6  o -0.6641000E-01 0.9003000     ?             ?      
1 1 1 50 23 7  o -0.5340000E-01 0.8912000     ?             ?      
1 1 1 50 23 8  o 0.5597000E-01  1.036000      ?             ?      
1 1 1 50 23 9  o -1.662000      1.599000      ?             ?      
1 1 1 50 23 10 o 1.179000       0.9934000     ?             ?      
1 1 1 50 23 11 o -1.144000      1.162000      ?             ?      
1 1 1 50 23 12 o 1.631000       1.284000      ?             ?      
1 1 1 50 23 13 o -1.010000      1.276000      ?             ?      
1 1 1 50 23 14 o 0.9941000      1.618000      ?             ?      
1 1 1 50 23 15 o -0.6807000     2.247000      ?             ?      
1 1 1 50 23 16 o 1.573000       1.139000      ?             ?      
1 1 1 50 23 17 o 1.318000       1.124000      ?             ?      
1 1 1 50 23 18 o 0.8830000      1.130000      ?             ?      
1 1 1 50 23 19 o 0.5832000      2.654000      ?             ?      
1 1 1 50 23 20 o -0.3309000E-01 2.148000      ?             ?      
1 1 1 50 23 21 o 2.299000       2.177000      ?             ?      
1 1 1 50 24 0  o 0.4830000      1.276000      ?             ?      
1 1 1 50 24 1  o 0.1244000      0.9005000     ?             ?      
1 1 1 50 24 2  o 0.4960000      0.8936000     ?             ?      
1 1 1 50 24 3  o 0.7839000      0.9421000     ?             ?      
1 1 1 50 24 4  o 0.5995000      0.8911000     ?             ?      
1 1 1 50 24 5  o -0.9966000E-01 0.8987000     ?             ?      
1 1 1 50 24 6  o -0.2476000     0.9061000     ?             ?      
1 1 1 50 24 7  o -1.034000      0.9336000     ?             ?      
1 1 1 50 24 8  o 0.1223000      0.9400000     ?             ?      
1 1 1 50 24 9  o -0.8026000E-01 0.9488000     ?             ?      
1 1 1 50 24 10 o -0.8857000     1.176000      ?             ?      
1 1 1 50 24 11 o -0.4026000     1.177000      ?             ?      
1 1 1 50 24 12 o 2.411000       2.357000      ?             ?      
1 1 1 50 24 13 o -0.5508000     1.392000      ?             ?      
1 1 1 50 24 14 o 2.525000       1.504000      ?             ?      
1 1 1 50 24 15 f -0.7153000E-01 1.235000      ?             ?      
1 1 1 50 24 16 o 0.3685000E-01  1.141000      ?             ?      
1 1 1 50 24 17 o 0.2620000      1.146000      ?             ?      
1 1 1 50 24 18 o -0.4794000     1.425000      ?             ?      
1 1 1 50 24 19 o -1.882000      2.153000      ?             ?      
1 1 1 50 24 20 o -2.050000      1.498000      ?             ?      
1 1 1 50 25 0  o 0.7113000      1.270000      ?             ?      
1 1 1 50 25 1  o 0.1348000      0.9039000     ?             ?      
1 1 1 50 25 2  o -0.6105000     0.8978000     ?             ?      
1 1 1 50 25 3  o 0.5972000      0.9001000     ?             ?      
1 1 1 50 25 4  o -0.9688000     0.9104000     ?             ?      
1 1 1 50 25 5  o -0.6113000     0.9181000     ?             ?      
1 1 1 50 25 6  o -1.424000      0.9504000     ?             ?      
1 1 1 50 25 7  o -1.590000      0.9519000     ?             ?      
1 1 1 50 25 8  o -0.8338000     0.9442000     ?             ?      
1 1 1 50 25 9  o -0.7253000     1.046000      ?             ?      
1 1 1 50 25 10 o 0.2368000      1.061000      ?             ?      
1 1 1 50 25 11 o -1.017000      1.275000      ?             ?      
1 1 1 50 25 12 o -0.3511000     1.206000      ?             ?      
1 1 1 50 25 13 o -0.7895000     1.175000      ?             ?      
1 1 1 50 25 14 o -1.252000      1.147000      ?             ?      
1 1 1 50 25 15 o -2.425000      1.435000      ?             ?      
1 1 1 50 25 16 o -1.488000      1.481000      ?             ?      
1 1 1 50 25 17 o -0.4885000     1.870000      ?             ?      
1 1 1 50 25 18 o 0.2142000E-01  1.280000      ?             ?      
1 1 1 50 26 0  o -0.3378000     1.281000      ?             ?      
1 1 1 50 26 1  o -0.7885000     0.9088000     ?             ?      
1 1 1 50 26 2  o 0.1525000      0.9091000     ?             ?      
1 1 1 50 26 3  o -0.9509000     0.9108000     ?             ?      
1 1 1 50 26 4  o 0.8884000E-01  0.9171000     ?             ?      
1 1 1 50 26 5  o -1.055000      0.9580000     ?             ?      
1 1 1 50 26 6  o -0.2453000     0.9599000     ?             ?      
1 1 1 50 26 7  o 0.1104000      1.079000      ?             ?      
1 1 1 50 26 8  o -0.5752000     1.055000      ?             ?      
1 1 1 50 26 9  o 0.5856000      1.076000      ?             ?      
1 1 1 50 26 10 o 3.752000       1.547000      ?             ?      
1 1 1 50 26 11 o -0.6152000     1.223000      ?             ?      
1 1 1 50 26 12 o -1.760000      1.191000      ?             ?      
1 1 1 50 26 13 o -1.652000      2.036000      ?             ?      
1 1 1 50 26 14 o -1.130000      1.211000      ?             ?      
1 1 1 50 26 15 o -0.4648000     1.460000      ?             ?      
1 1 1 50 26 16 o -1.501000      1.328000      ?             ?      
1 1 1 50 27 0  o -0.9596000     1.284000      ?             ?      
1 1 1 50 27 1  o 0.6804000      0.9152000     ?             ?      
1 1 1 50 27 2  o -0.1031000     0.9198000     ?             ?      
1 1 1 50 27 3  o -1.032000      0.9188000     ?             ?      
1 1 1 50 27 4  o -0.2662000     0.9564000     ?             ?      
1 1 1 50 27 5  o -0.4463000     0.9587000     ?             ?      
1 1 1 50 27 6  o -0.8303000E-01 0.9684000     ?             ?      
1 1 1 50 27 7  o -0.9394000     1.076000      ?             ?      
1 1 1 50 27 8  o 0.3671000      1.095000      ?             ?      
1 1 1 50 27 9  o 1.938000       1.102000      ?             ?      
1 1 1 50 27 10 o 0.7699000      1.520000      ?             ?      
1 1 1 50 27 11 o -2.225000      1.516000      ?             ?      
1 1 1 50 27 12 o 1.932000       1.342000      ?             ?      
1 1 1 50 27 13 o -0.7477000     1.466000      ?             ?      
1 1 1 50 27 14 o 0.7218000      1.337000      ?             ?      
1 1 1 50 28 0  o -1.819000      1.292000      ?             ?      
1 1 1 50 28 1  o -0.1583000     0.9208000     ?             ?      
1 1 1 50 28 2  o 1.365000       1.333000      ?             ?      
1 1 1 50 28 3  o -0.4652000     0.9572000     ?             ?      
1 1 1 50 28 4  o -0.3543000     1.002000      ?             ?      
1 1 1 50 28 5  o -1.055000      1.588000      ?             ?      
1 1 1 50 28 6  o -0.8245000     1.181000      ?             ?      
1 1 1 50 28 7  o -0.1269000     1.180000      ?             ?      
1 1 1 50 28 8  o 1.055000       1.193000      ?             ?      
1 1 1 50 28 9  o 0.2881000      1.133000      ?             ?      
1 1 1 50 28 10 o -0.8449000     2.173000      ?             ?      
1 1 1 50 28 11 o 0.6821000      1.343000      ?             ?      
1 1 1 50 29 0  o -0.6906000     1.379000      ?             ?      
1 1 1 50 29 1  o -0.1522000     1.014000      ?             ?      
1 1 1 50 29 2  o -1.103000      1.013000      ?             ?      
1 1 1 50 29 3  o -1.475000      1.037000      ?             ?      
1 1 1 50 29 4  o -1.070000      1.556000      ?             ?      
1 1 1 50 29 5  o -1.636000      1.194000      ?             ?      
1 1 1 50 29 6  o 1.492000       1.327000      ?             ?      
1 1 1 50 29 7  o 0.6245000      2.409000      ?             ?      
1 1 1 50 29 8  o -3.790000      2.408000      ?             ?      
1 1 1 51 0  1  o 0.7042000      1.126000      ?             ?      
1 1 1 51 0  2  o 0.9153000E-01  1.128000      ?             ?      
1 1 1 51 0  3  o 0.9335000      1.157000      ?             ?      
1 1 1 51 0  4  o -0.8611000     1.166000      ?             ?      
1 1 1 51 0  5  o 1.544000       1.163000      ?             ?      
1 1 1 51 0  6  o -0.8554000     1.211000      ?             ?      
1 1 1 51 0  7  o -0.9475000     1.217000      ?             ?      
1 1 1 51 0  8  o -1.467000      1.208000      ?             ?      
1 1 1 51 0  9  o -0.1575000     1.216000      ?             ?      
1 1 1 51 0  10 o -0.6542000     1.213000      ?             ?      
1 1 1 51 0  11 o 0.5204000      1.220000      ?             ?      
1 1 1 51 0  12 o 1.679000       1.228000      ?             ?      
1 1 1 51 0  13 o 0.2523000      1.240000      ?             ?      
1 1 1 51 0  14 o 0.1462000      1.255000      ?             ?      
1 1 1 51 0  15 o 0.4280000      1.272000      ?             ?      
1 1 1 51 0  16 o -1.813000      1.285000      ?             ?      
1 1 1 51 0  17 o -0.8796000     1.399000      ?             ?      
1 1 1 51 0  18 o -0.2279000     1.398000      ?             ?      
1 1 1 51 0  19 o -1.434000      1.808000      ?             ?      
1 1 1 51 0  20 o -0.6167000     1.838000      ?             ?      
1 1 1 51 0  21 o -2.780000      2.164000      ?             ?      
1 1 1 51 0  22 o -1.621000      2.178000      ?             ?      
1 1 1 51 0  23 o -2.031000      1.723000      ?             ?      
1 1 1 51 0  24 o 1.357000       1.967000      ?             ?      
1 1 1 51 0  25 o -1.229000      1.922000      ?             ?      
1 1 1 51 0  26 o -3.568000      2.237000      ?             ?      
1 1 1 51 0  27 o 0.5400000      1.786000      ?             ?      
1 1 1 51 0  28 o -0.5610000     1.693000      ?             ?      
1 1 1 51 0  29 o 1.055000       1.541000      ?             ?      
1 1 1 51 0  30 o -1.022000      1.542000      ?             ?      
1 1 1 51 1  0  o 1.362000       1.139000      ?             ?      
1 1 1 51 1  1  o -0.7426000     0.8022000     ?             ?      
1 1 1 51 1  2  o -0.8471000     0.8063000     ?             ?      
1 1 1 51 1  3  o -0.1279000     0.8200000     ?             ?      
1 1 1 51 1  4  o -0.3320000     0.8253000     ?             ?      
1 1 1 51 1  5  o -0.5606000E-01 0.8257000     ?             ?      
1 1 1 51 1  6  o -0.4860000     0.8529000     ?             ?      
1 1 1 51 1  7  o -0.2591000     0.8549000     ?             ?      
1 1 1 51 1  8  o 0.5034000      0.8543000     ?             ?      
1 1 1 51 1  9  o 0.1365000      0.8636000     ?             ?      
1 1 1 51 1  10 o 0.6584000      0.8604000     ?             ?      
1 1 1 51 1  11 o -0.2426000     0.8661000     ?             ?      
1 1 1 51 1  12 o -0.3495000     0.8798000     ?             ?      
1 1 1 51 1  13 o -0.1067000     0.8839000     ?             ?      
1 1 1 51 1  14 o -0.1659000     0.8861000     ?             ?      
1 1 1 51 1  15 o -1.187000      0.8955000     ?             ?      
1 1 1 51 1  16 o -0.9692000     0.9474000     ?             ?      
1 1 1 51 1  17 o 0.2957000      0.9875000     ?             ?      
1 1 1 51 1  18 o -0.5907000     1.000000      ?             ?      
1 1 1 51 1  19 o -0.6469000     1.271000      ?             ?      
1 1 1 51 1  20 o -0.5827000     1.308000      ?             ?      
1 1 1 51 1  21 o -0.8220000E-01 1.347000      ?             ?      
1 1 1 51 1  22 o -0.2136000     1.427000      ?             ?      
1 1 1 51 1  23 o -0.5265000     1.391000      ?             ?      
1 1 1 51 1  24 o -1.231000      1.297000      ?             ?      
1 1 1 51 1  25 o -0.2002000     1.332000      ?             ?      
1 1 1 51 1  26 o 1.142000       1.551000      ?             ?      
1 1 1 51 1  27 o -1.232000      1.263000      ?             ?      
1 1 1 51 1  28 o -0.7648000     1.164000      ?             ?      
1 1 1 51 1  29 o 1.145000       1.149000      ?             ?      
1 1 1 51 1  30 o -0.5086000     1.698000      ?             ?      
1 1 1 51 1  31 o -1.497000      1.976000      ?             ?      
1 1 1 51 2  0  o 1.170000       1.146000      ?             ?      
1 1 1 51 2  1  o 0.6224000E-01  0.8060000     ?             ?      
1 1 1 51 2  2  o -0.5942000     0.8078000     ?             ?      
1 1 1 51 2  3  o -0.6319000     0.8086000     ?             ?      
1 1 1 51 2  4  o -0.4839000     0.8088000     ?             ?      
1 1 1 51 2  5  o 0.1846000      0.8388000     ?             ?      
1 1 1 51 2  6  o -0.3332000     0.8329000     ?             ?      
1 1 1 51 2  7  o -0.6911000     0.8469000     ?             ?      
1 1 1 51 2  8  o 0.7147000      0.8605000     ?             ?      
1 1 1 51 2  9  o 0.8197000      0.8652000     ?             ?      
1 1 1 51 2  10 o -1.499000      0.8556000     ?             ?      
1 1 1 51 2  11 o -0.2191000E-01 0.8629000     ?             ?      
1 1 1 51 2  12 o -0.1866000     0.8756000     ?             ?      
1 1 1 51 2  13 o -0.4207000     0.8861000     ?             ?      
1 1 1 51 2  14 o -0.1930000     0.8991000     ?             ?      
1 1 1 51 2  15 o 0.8006000      0.9116000     ?             ?      
1 1 1 51 2  16 o 1.139000       0.9519000     ?             ?      
1 1 1 51 2  17 o 0.5462000      0.9974000     ?             ?      
1 1 1 51 2  18 o -0.9553000     1.006000      ?             ?      
1 1 1 51 2  19 o -1.815000      1.270000      ?             ?      
1 1 1 51 2  20 o -2.173000      1.393000      ?             ?      
1 1 1 51 2  21 o 1.047000       1.356000      ?             ?      
1 1 1 51 2  22 o -0.7616000     1.325000      ?             ?      
1 1 1 51 2  23 o -0.3265000     1.697000      ?             ?      
1 1 1 51 2  24 o -0.1552000     1.348000      ?             ?      
1 1 1 51 2  25 o -2.052000      1.554000      ?             ?      
1 1 1 51 2  26 o -1.693000      1.531000      ?             ?      
1 1 1 51 2  27 o 0.4589000      1.203000      ?             ?      
1 1 1 51 2  28 o 0.6321000      1.242000      ?             ?      
1 1 1 51 2  29 o 1.559000       1.072000      ?             ?      
1 1 1 51 2  30 o -1.366000      1.115000      ?             ?      
1 1 1 51 2  31 o 2.346000       2.049000      ?             ?      
1 1 1 51 3  0  o -0.5864000     1.134000      ?             ?      
1 1 1 51 3  1  o -0.1007000     0.8145000     ?             ?      
1 1 1 51 3  2  o 1.218000       0.8096000     ?             ?      
1 1 1 51 3  3  o -0.8144000E-01 0.8108000     ?             ?      
1 1 1 51 3  4  o -0.6280000     0.8198000     ?             ?      
1 1 1 51 3  5  o -0.4156000     0.8407000     ?             ?      
1 1 1 51 3  6  o -0.6670000     0.8391000     ?             ?      
1 1 1 51 3  7  o 0.2033000      0.8423000     ?             ?      
1 1 1 51 3  8  o -0.9142000     0.8489000     ?             ?      
1 1 1 51 3  9  o 0.9218000      0.8573000     ?             ?      
1 1 1 51 3  10 o -0.5042000     0.8627000     ?             ?      
1 1 1 51 3  11 o -1.061000      0.8731000     ?             ?      
1 1 1 51 3  12 o -2.115000      0.8760000     ?             ?      
1 1 1 51 3  13 o -2.413000      0.8887000     ?             ?      
1 1 1 51 3  14 o -0.6737000     0.9089000     ?             ?      
1 1 1 51 3  15 o -0.5180000E-02 0.9099000     ?             ?      
1 1 1 51 3  16 o -0.1105000     0.9519000     ?             ?      
1 1 1 51 3  17 o -0.1396000     1.009000      ?             ?      
1 1 1 51 3  18 o -0.1721000     1.015000      ?             ?      
1 1 1 51 3  19 o -0.4811000     1.274000      ?             ?      
1 1 1 51 3  20 o -0.7230000     1.376000      ?             ?      
1 1 1 51 3  21 o 0.7870000E-01  1.327000      ?             ?      
1 1 1 51 3  22 o -0.8524000E-01 1.717000      ?             ?      
1 1 1 51 3  23 o 1.228000       2.987000      ?             ?      
1 1 1 51 3  24 o -1.473000      1.827000      ?             ?      
1 1 1 51 3  25 o -2.304000      1.787000      ?             ?      
1 1 1 51 3  26 o -2.002000      1.548000      ?             ?      
1 1 1 51 3  27 o 0.1128000      1.190000      ?             ?      
1 1 1 51 3  28 o -0.5343000     1.095000      ?             ?      
1 1 1 51 3  29 o -1.581000      1.082000      ?             ?      
1 1 1 51 3  30 o -0.5700000     1.125000      ?             ?      
1 1 1 51 3  31 < 0.000000       -1.000000     ?             ?      
1 1 1 51 4  0  o 0.1365000      1.144000      ?             ?      
1 1 1 51 4  1  o -0.3707000     0.8098000     ?             ?      
1 1 1 51 4  2  o -0.4416000E-01 0.8110000     ?             ?      
1 1 1 51 4  3  o 1.196000       0.8141000     ?             ?      
1 1 1 51 4  4  o -0.7691000     0.8244000     ?             ?      
1 1 1 51 4  5  o 0.6269000      0.8350000     ?             ?      
1 1 1 51 4  6  o -0.5775000     0.8340000     ?             ?      
1 1 1 51 4  7  o 0.5805000      0.8341000     ?             ?      
1 1 1 51 4  8  o -0.1962000     0.8518000     ?             ?      
1 1 1 51 4  9  o 0.3634000      0.8561000     ?             ?      
1 1 1 51 4  10 o 0.4494000      0.8632000     ?             ?      
1 1 1 51 4  11 o -0.8525000     0.8657000     ?             ?      
1 1 1 51 4  12 o -0.2379000     0.8771000     ?             ?      
1 1 1 51 4  13 o -0.5291000     0.8889000     ?             ?      
1 1 1 51 4  14 o -0.6924000     0.9067000     ?             ?      
1 1 1 51 4  15 o -0.4633000     0.9118000     ?             ?      
1 1 1 51 4  16 o 1.253000       0.9617000     ?             ?      
1 1 1 51 4  17 o 0.3759000E-02  1.003000      ?             ?      
1 1 1 51 4  18 o 0.4876000      1.177000      ?             ?      
1 1 1 51 4  19 o 1.141000       1.291000      ?             ?      
1 1 1 51 4  20 o 0.8865000E-01  1.421000      ?             ?      
1 1 1 51 4  21 o -0.5570000     1.832000      ?             ?      
1 1 1 51 4  22 o -1.880000      1.783000      ?             ?      
1 1 1 51 4  23 o 0.7929000      1.737000      ?             ?      
1 1 1 51 4  24 o 0.3597000      1.554000      ?             ?      
1 1 1 51 4  25 o 0.2085000      1.526000      ?             ?      
1 1 1 51 4  26 o 0.2868000      1.218000      ?             ?      
1 1 1 51 4  27 o 0.1636000E-01  1.183000      ?             ?      
1 1 1 51 4  28 o 0.5382000      1.095000      ?             ?      
1 1 1 51 4  29 o 0.3273000      1.101000      ?             ?      
1 1 1 51 4  30 o 1.033000       1.125000      ?             ?      
1 1 1 51 4  31 < 0.000000       -1.000000     ?             ?      
1 1 1 51 5  0  o 0.3404000      1.169000      ?             ?      
1 1 1 51 5  1  o 0.7848000      0.8072000     ?             ?      
1 1 1 51 5  2  o 0.8413000      0.8112000     ?             ?      
1 1 1 51 5  3  o 1.054000       0.8076000     ?             ?      
1 1 1 51 5  4  o 0.5806000      0.8245000     ?             ?      
1 1 1 51 5  5  o 0.3945000E-01  0.8292000     ?             ?      
1 1 1 51 5  6  o -1.351000      0.8297000     ?             ?      
1 1 1 51 5  7  o 0.8743000      0.8385000     ?             ?      
1 1 1 51 5  8  o -0.8980000E-02 0.8450000     ?             ?      
1 1 1 51 5  9  o -1.025000      0.8548000     ?             ?      
1 1 1 51 5  10 o -0.4588000     0.8748000     ?             ?      
1 1 1 51 5  11 o -1.120000      1.276000      ?             ?      
1 1 1 51 5  12 o -1.121000      0.8884000     ?             ?      
1 1 1 51 5  13 o -0.2455000     0.8941000     ?             ?      
1 1 1 51 5  14 o -1.542000      0.8998000     ?             ?      
1 1 1 51 5  15 o -0.1046000     0.9147000     ?             ?      
1 1 1 51 5  16 o 0.3073000E-02  0.9591000     ?             ?      
1 1 1 51 5  17 o 0.8744000E-01  1.002000      ?             ?      
1 1 1 51 5  18 o -0.1269000     1.337000      ?             ?      
1 1 1 51 5  19 o -2.099000      1.359000      ?             ?      
1 1 1 51 5  20 o 1.863000       1.360000      ?             ?      
1 1 1 51 5  21 o -0.6027000     1.384000      ?             ?      
1 1 1 51 5  22 o -1.694000      1.783000      ?             ?      
1 1 1 51 5  23 o -1.128000      1.521000      ?             ?      
1 1 1 51 5  24 o -0.4830000     2.391000      ?             ?      
1 1 1 51 5  25 o -2.611000      1.297000      ?             ?      
1 1 1 51 5  26 o -2.313000      1.204000      ?             ?      
1 1 1 51 5  27 o -0.5865000     1.069000      ?             ?      
1 1 1 51 5  28 o -1.381000      1.042000      ?             ?      
1 1 1 51 5  29 o 0.4234000E-01  1.095000      ?             ?      
1 1 1 51 5  30 o -0.5842000E-01 1.561000      ?             ?      
1 1 1 51 6  0  o 1.157000       1.160000      ?             ?      
1 1 1 51 6  1  o -0.3526000     0.8123000     ?             ?      
1 1 1 51 6  2  o -1.764000      0.8054000     ?             ?      
1 1 1 51 6  3  o 0.3396000      0.8242000     ?             ?      
1 1 1 51 6  4  o -0.6287000     0.8163000     ?             ?      
1 1 1 51 6  5  o -0.4943000     0.8186000     ?             ?      
1 1 1 51 6  6  o -0.4721000     0.8331000     ?             ?      
1 1 1 51 6  7  o -0.9232000E-01 0.8316000     ?             ?      
1 1 1 51 6  8  o -1.132000      0.8556000     ?             ?      
1 1 1 51 6  9  o -0.6426000     0.8662000     ?             ?      
1 1 1 51 6  10 o -1.194000      0.8730000     ?             ?      
1 1 1 51 6  11 o 0.4367000      0.8881000     ?             ?      
1 1 1 51 6  12 o 0.3025000      0.8930000     ?             ?      
1 1 1 51 6  13 o 0.7302000      0.9016000     ?             ?      
1 1 1 51 6  14 o -0.5218000     0.9033000     ?             ?      
1 1 1 51 6  15 o -1.002000      0.9157000     ?             ?      
1 1 1 51 6  16 o -1.249000      1.038000      ?             ?      
1 1 1 51 6  17 o -1.151000      1.119000      ?             ?      
1 1 1 51 6  18 o -0.4817000     1.301000      ?             ?      
1 1 1 51 6  19 o -1.504000      1.318000      ?             ?      
1 1 1 51 6  20 o -0.6896000     1.730000      ?             ?      
1 1 1 51 6  21 o 1.395000       1.311000      ?             ?      
1 1 1 51 6  22 o -2.419000      1.502000      ?             ?      
1 1 1 51 6  23 o 0.1975000      1.522000      ?             ?      
1 1 1 51 6  24 o 0.2983000      1.484000      ?             ?      
1 1 1 51 6  25 o -1.584000      1.144000      ?             ?      
1 1 1 51 6  26 o -0.3763000E-01 1.252000      ?             ?      
1 1 1 51 6  27 o -0.8869000     1.067000      ?             ?      
1 1 1 51 6  28 o -0.6881000     1.045000      ?             ?      
1 1 1 51 6  29 o -0.7945000E-01 1.017000      ?             ?      
1 1 1 51 6  30 o -3.777000      2.179000      ?             ?      
1 1 1 51 7  0  o -0.1775000     1.155000      ?             ?      
1 1 1 51 7  1  o -1.452000      0.8165000     ?             ?      
1 1 1 51 7  2  o 0.1244000      0.8050000     ?             ?      
1 1 1 51 7  3  o -0.7296000     0.8199000     ?             ?      
1 1 1 51 7  4  o 0.8847000      0.8293000     ?             ?      
1 1 1 51 7  5  o 0.3732000      0.8236000     ?             ?      
1 1 1 51 7  6  o 0.2406000E-01  0.8263000     ?             ?      
1 1 1 51 7  7  o -0.1729000     0.8383000     ?             ?      
1 1 1 51 7  8  o 0.2369000      0.8361000     ?             ?      
1 1 1 51 7  9  o -0.5886000     0.8651000     ?             ?      
1 1 1 51 7  10 o 1.015000       0.8806000     ?             ?      
1 1 1 51 7  11 o 0.9154000E-01  0.8914000     ?             ?      
1 1 1 51 7  12 o 0.1411000      0.8939000     ?             ?      
1 1 1 51 7  13 o 1.073000       0.9737000     ?             ?      
1 1 1 51 7  14 o 0.1880000      0.9767000     ?             ?      
1 1 1 51 7  15 o -1.272000      0.9839000     ?             ?      
1 1 1 51 7  16 o 0.4228000E-01  1.025000      ?             ?      
1 1 1 51 7  17 o 0.9153000      1.279000      ?             ?      
1 1 1 51 7  18 o -2.972000      1.290000      ?             ?      
1 1 1 51 7  19 o -1.889000      1.246000      ?             ?      
1 1 1 51 7  20 o -2.123000      1.769000      ?             ?      
1 1 1 51 7  21 o -0.2042000     1.295000      ?             ?      
1 1 1 51 7  22 o 0.3617000      1.481000      ?             ?      
1 1 1 51 7  23 f 0.1889000      1.503000      ?             ?      
1 1 1 51 7  24 o 0.7856000      1.330000      ?             ?      
1 1 1 51 7  25 o -2.076000      1.128000      ?             ?      
1 1 1 51 7  26 o 1.346000       1.085000      ?             ?      
1 1 1 51 7  27 o -1.005000      1.709000      ?             ?      
1 1 1 51 7  28 o -0.8189000     1.005000      ?             ?      
1 1 1 51 7  29 o -0.3257000     1.199000      ?             ?      
1 1 1 51 7  30 o -0.9766000     2.755000      ?             ?      
1 1 1 51 8  0  o 0.7712000      1.148000      ?             ?      
1 1 1 51 8  1  o -0.2903000     0.8131000     ?             ?      
1 1 1 51 8  2  o 0.6271000      0.8250000     ?             ?      
1 1 1 51 8  3  o -0.9489000     0.8226000     ?             ?      
1 1 1 51 8  4  o 0.2255000      0.8279000     ?             ?      
1 1 1 51 8  5  o 0.6707000      0.8294000     ?             ?      
1 1 1 51 8  6  o -0.5666000     0.8378000     ?             ?      
1 1 1 51 8  7  o 0.2035000      0.8594000     ?             ?      
1 1 1 51 8  8  o 0.6070000      0.8628000     ?             ?      
1 1 1 51 8  9  o -1.123000      0.8698000     ?             ?      
1 1 1 51 8  10 o -0.6003000     0.8786000     ?             ?      
1 1 1 51 8  11 o 0.2886000      0.9610000     ?             ?      
1 1 1 51 8  12 o 0.1498000      1.324000      ?             ?      
1 1 1 51 8  13 o -0.9096000     0.9360000     ?             ?      
1 1 1 51 8  14 o -0.3793000     0.9159000     ?             ?      
1 1 1 51 8  15 o 0.5749000      0.9819000     ?             ?      
1 1 1 51 8  16 o -0.5571000     0.9923000     ?             ?      
1 1 1 51 8  17 o 0.2278000      1.286000      ?             ?      
1 1 1 51 8  18 o -0.3042000     1.344000      ?             ?      
1 1 1 51 8  19 o -0.6465000     1.708000      ?             ?      
1 1 1 51 8  20 o 1.025000       1.265000      ?             ?      
1 1 1 51 8  21 o -0.1120000     2.058000      ?             ?      
1 1 1 51 8  22 o 0.7230000      2.051000      ?             ?      
1 1 1 51 8  23 o -0.2097000     1.329000      ?             ?      
1 1 1 51 8  24 o -2.061000      1.204000      ?             ?      
1 1 1 51 8  25 o 0.6071000      1.065000      ?             ?      
1 1 1 51 8  26 o 1.425000       1.080000      ?             ?      
1 1 1 51 8  27 o 0.2815000      1.153000      ?             ?      
1 1 1 51 8  28 o -0.6949000     1.096000      ?             ?      
1 1 1 51 8  29 o 0.6757000      1.268000      ?             ?      
1 1 1 51 8  30 o 0.2420000      2.913000      ?             ?      
1 1 1 51 9  0  o -2.110000      1.159000      ?             ?      
1 1 1 51 9  1  o 0.8728000      0.8385000     ?             ?      
1 1 1 51 9  2  o 0.4316000      0.8387000     ?             ?      
1 1 1 51 9  3  o 1.001000       0.8297000     ?             ?      
1 1 1 51 9  4  o 0.7629000      0.8497000     ?             ?      
1 1 1 51 9  5  o 0.8135000E-01  0.8497000     ?             ?      
1 1 1 51 9  6  o 0.6265000      0.8593000     ?             ?      
1 1 1 51 9  7  o 0.1093000      0.8370000     ?             ?      
1 1 1 51 9  8  o -0.5214000E-01 0.9125000     ?             ?      
1 1 1 51 9  9  o -0.6294000     0.9281000     ?             ?      
1 1 1 51 9  10 o 2.219000       0.9363000     ?             ?      
1 1 1 51 9  11 o -0.8681000     0.9216000     ?             ?      
1 1 1 51 9  12 o -0.8648000     0.8957000     ?             ?      
1 1 1 51 9  13 o -1.180000      0.9050000     ?             ?      
1 1 1 51 9  14 o -0.8645000     0.9284000     ?             ?      
1 1 1 51 9  15 o 0.2133000      0.9757000     ?             ?      
1 1 1 51 9  16 o -0.5702000     0.9902000     ?             ?      
1 1 1 51 9  17 o -1.415000      1.306000      ?             ?      
1 1 1 51 9  18 o 1.269000       1.716000      ?             ?      
1 1 1 51 9  19 o -0.2738000E-01 1.718000      ?             ?      
1 1 1 51 9  20 o -0.6440000E-01 1.434000      ?             ?      
1 1 1 51 9  21 o 2.600000       2.123000      ?             ?      
1 1 1 51 9  22 o 4.178000       2.086000      ?             ?      
1 1 1 51 9  23 o -1.772000      2.056000      ?             ?      
1 1 1 51 9  24 o 0.1402000      1.657000      ?             ?      
1 1 1 51 9  25 o -1.597000      1.115000      ?             ?      
1 1 1 51 9  26 o 1.862000       1.124000      ?             ?      
1 1 1 51 9  27 o -0.2576000     1.070000      ?             ?      
1 1 1 51 9  28 o 1.183000       1.162000      ?             ?      
1 1 1 51 9  29 o -1.614000      1.610000      ?             ?      
1 1 1 51 10 0  o 2.456000       1.199000      ?             ?      
1 1 1 51 10 1  o -0.2462000     0.8423000     ?             ?      
1 1 1 51 10 2  o -0.4442000     0.8480000     ?             ?      
1 1 1 51 10 3  o -0.5706000E-01 0.8480000     ?             ?      
1 1 1 51 10 4  o -1.022000      0.8250000     ?             ?      
1 1 1 51 10 5  o -0.7793000     0.8350000     ?             ?      
1 1 1 51 10 6  o -1.120000      0.9033000     ?             ?      
1 1 1 51 10 7  o 1.321000       0.9825000     ?             ?      
1 1 1 51 10 8  o -0.2923000     0.8777000     ?             ?      
1 1 1 51 10 9  o 1.404000       0.8644000     ?             ?      
1 1 1 51 10 10 o 0.8802000      0.8896000     ?             ?      
1 1 1 51 10 11 o -0.1392000     0.8851000     ?             ?      
1 1 1 51 10 12 o 0.8606000      0.9024000     ?             ?      
1 1 1 51 10 13 o 0.1570000      0.9176000     ?             ?      
1 1 1 51 10 14 o 0.4343000      0.9554000     ?             ?      
1 1 1 51 10 15 o -0.2017000     1.018000      ?             ?      
1 1 1 51 10 16 o 0.6059000      1.027000      ?             ?      
1 1 1 51 10 17 o 0.1034000      1.713000      ?             ?      
1 1 1 51 10 18 o 0.6311000      1.715000      ?             ?      
1 1 1 51 10 19 o 0.5952000E-01  1.449000      ?             ?      
1 1 1 51 10 20 o -0.5472000     2.082000      ?             ?      
1 1 1 51 10 21 o 3.110000       2.068000      ?             ?      
1 1 1 51 10 22 o -3.175000      1.496000      ?             ?      
1 1 1 51 10 23 o -0.1494000     1.327000      ?             ?      
1 1 1 51 10 24 o 0.8463000E-02  1.116000      ?             ?      
1 1 1 51 10 25 o 0.5812000      1.117000      ?             ?      
1 1 1 51 10 26 o -1.339000      1.078000      ?             ?      
1 1 1 51 10 27 o 0.5367000      1.247000      ?             ?      
1 1 1 51 10 28 o -0.7522000     1.426000      ?             ?      
1 1 1 51 10 29 < 0.000000       -1.000000     ?             ?      
1 1 1 51 11 0  o 1.028000       1.286000      ?             ?      
1 1 1 51 11 1  o -0.2047000     0.8707000     ?             ?      
1 1 1 51 11 2  o -1.113000      0.8409000     ?             ?      
1 1 1 51 11 3  o 0.2427000      0.8963000     ?             ?      
1 1 1 51 11 4  o 1.400000       0.8996000     ?             ?      
1 1 1 51 11 5  o 0.2383000      0.8774000     ?             ?      
1 1 1 51 11 6  o 0.5189000E-01  0.8468000     ?             ?      
1 1 1 51 11 7  o -0.1845000     0.8384000     ?             ?      
1 1 1 51 11 8  o -0.4033000     0.8439000     ?             ?      
1 1 1 51 11 9  o 0.5632000      0.8649000     ?             ?      
1 1 1 51 11 10 o -0.8567000E-01 0.8938000     ?             ?      
1 1 1 51 11 11 o -0.4805000     0.9039000     ?             ?      
1 1 1 51 11 12 o -0.1735000     0.8992000     ?             ?      
1 1 1 51 11 13 o -0.1799000E-01 0.9660000     ?             ?      
1 1 1 51 11 14 o -0.7058000     0.9813000     ?             ?      
1 1 1 51 11 15 o -1.065000      1.025000      ?             ?      
1 1 1 51 11 16 o 0.2862000      1.711000      ?             ?      
1 1 1 51 11 17 f 2.909000       1.745000      ?             ?      
1 1 1 51 11 18 o -1.031000      1.746000      ?             ?      
1 1 1 51 11 19 o 0.3489000      2.126000      ?             ?      
1 1 1 51 11 20 o -2.748000      2.035000      ?             ?      
1 1 1 51 11 21 o -0.6452000     1.481000      ?             ?      
1 1 1 51 11 22 o 1.835000       1.533000      ?             ?      
1 1 1 51 11 23 o -1.629000      1.820000      ?             ?      
1 1 1 51 11 24 o 2.232000       1.270000      ?             ?      
1 1 1 51 11 25 o -0.7753000     1.262000      ?             ?      
1 1 1 51 11 26 o 1.050000       1.069000      ?             ?      
1 1 1 51 11 27 o -2.962000      1.061000      ?             ?      
1 1 1 51 11 28 o 1.843000       1.511000      ?             ?      
1 1 1 51 12 0  o 1.337000       1.219000      ?             ?      
1 1 1 51 12 1  o -0.4186000     0.9110000     ?             ?      
1 1 1 51 12 2  o 0.4210000      0.9095000     ?             ?      
1 1 1 51 12 3  o -0.2622000     0.9159000     ?             ?      
1 1 1 51 12 4  o 0.5412000      0.8392000     ?             ?      
1 1 1 51 12 5  o 0.4211000      0.8433000     ?             ?      
1 1 1 51 12 6  o -1.384000      0.8477000     ?             ?      
1 1 1 51 12 7  o 0.3402000      0.8435000     ?             ?      
1 1 1 51 12 8  o 1.464000       0.8551000     ?             ?      
1 1 1 51 12 9  o 0.2999000      0.8569000     ?             ?      
1 1 1 51 12 10 o -0.3665000     0.8757000     ?             ?      
1 1 1 51 12 11 o -0.2488000     0.9018000     ?             ?      
1 1 1 51 12 12 o 0.6785000      0.9490000     ?             ?      
1 1 1 51 12 13 o 1.344000       0.9478000     ?             ?      
1 1 1 51 12 14 o -1.002000      1.016000      ?             ?      
1 1 1 51 12 15 o 0.9023000      1.184000      ?             ?      
1 1 1 51 12 16 o 0.8593000      1.747000      ?             ?      
1 1 1 51 12 17 o -3.036000      1.689000      ?             ?      
1 1 1 51 12 18 o 0.2593000      1.468000      ?             ?      
1 1 1 51 12 19 o -0.4911000     1.403000      ?             ?      
1 1 1 51 12 20 o 1.860000       1.571000      ?             ?      
1 1 1 51 12 21 o -0.4907000     1.461000      ?             ?      
1 1 1 51 12 22 o -0.8968000     1.411000      ?             ?      
1 1 1 51 12 23 o 0.3466000      1.136000      ?             ?      
1 1 1 51 12 24 o -0.4457000     1.122000      ?             ?      
1 1 1 51 12 25 o -0.6022000     1.126000      ?             ?      
1 1 1 51 12 26 o 1.233000       1.793000      ?             ?      
1 1 1 51 12 27 o -0.5579000     1.443000      ?             ?      
1 1 1 51 12 28 < 0.000000       -1.000000     ?             ?      
1 1 1 51 13 0  o -2.060000      1.369000      ?             ?      
1 1 1 51 13 1  o -0.1941000     1.015000      ?             ?      
1 1 1 51 13 2  o 0.1118000      0.8935000     ?             ?      
1 1 1 51 13 3  o 0.6174000E-01  0.8458000     ?             ?      
1 1 1 51 13 4  o 0.6211000E-01  0.8443000     ?             ?      
1 1 1 51 13 5  o 0.1980000E-01  0.8654000     ?             ?      
1 1 1 51 13 6  o 0.2632000      0.8631000     ?             ?      
1 1 1 51 13 7  o 0.1358000      0.8472000     ?             ?      
1 1 1 51 13 8  o 1.062000       0.8535000     ?             ?      
1 1 1 51 13 9  o 0.1041000      0.8568000     ?             ?      
1 1 1 51 13 10 o 2.327000       0.8706000     ?             ?      
1 1 1 51 13 11 o -1.312000      0.9348000     ?             ?      
1 1 1 51 13 12 o -0.6083000     0.9659000     ?             ?      
1 1 1 51 13 13 o -0.9101000E-01 0.9464000     ?             ?      
1 1 1 51 13 14 o 0.6801000      1.142000      ?             ?      
1 1 1 51 13 15 o 2.744000       1.794000      ?             ?      
1 1 1 51 13 16 o -0.9949000     1.736000      ?             ?      
1 1 1 51 13 17 o 0.5025000      1.526000      ?             ?      
1 1 1 51 13 18 o -3.101000      1.478000      ?             ?      
1 1 1 51 13 19 o 1.309000       3.911000      ?             ?      
1 1 1 51 13 20 o -2.489000      1.456000      ?             ?      
1 1 1 51 13 21 o 0.3652000      1.462000      ?             ?      
1 1 1 51 13 22 o 0.1443000      1.444000      ?             ?      
1 1 1 51 13 23 o -0.1927000     1.127000      ?             ?      
1 1 1 51 13 24 o 1.190000       1.134000      ?             ?      
1 1 1 51 13 25 o -1.201000      1.138000      ?             ?      
1 1 1 51 13 26 o -0.4685000     1.801000      ?             ?      
1 1 1 51 13 27 o 1.206000       1.665000      ?             ?      
1 1 1 51 14 0  o -0.5965000     1.217000      ?             ?      
1 1 1 51 14 1  o 0.2611000E-01  0.8666000     ?             ?      
1 1 1 51 14 2  o -0.1737000     0.8671000     ?             ?      
1 1 1 51 14 3  o -0.8645000     0.9074000     ?             ?      
1 1 1 51 14 4  o 0.9940000      0.9944000     ?             ?      
1 1 1 51 14 5  o 0.6175000      0.8893000     ?             ?      
1 1 1 51 14 6  o -0.5152000     0.8448000     ?             ?      
1 1 1 51 14 7  o 0.2932000      0.8738000     ?             ?      
1 1 1 51 14 8  o -0.8736000     0.8823000     ?             ?      
1 1 1 51 14 9  o 1.605000       0.8939000     ?             ?      
1 1 1 51 14 10 o -1.245000      0.8936000     ?             ?      
1 1 1 51 14 11 o 0.2688000      0.9312000     ?             ?      
1 1 1 51 14 12 o 0.8814000      1.003000      ?             ?      
1 1 1 51 14 13 o -0.2407000     1.178000      ?             ?      
1 1 1 51 14 14 o -2.131000      1.210000      ?             ?      
1 1 1 51 14 15 o 0.3823000      1.797000      ?             ?      
1 1 1 51 14 16 o 2.206000       1.477000      ?             ?      
1 1 1 51 14 17 o 0.5400000E-01  1.427000      ?             ?      
1 1 1 51 14 18 o 1.058000       2.039000      ?             ?      
1 1 1 51 14 19 o -0.3852000     1.404000      ?             ?      
1 1 1 51 14 20 o -0.5910000E-02 1.361000      ?             ?      
1 1 1 51 14 21 o 0.5968000      1.417000      ?             ?      
1 1 1 51 14 22 o -0.4244000     1.120000      ?             ?      
1 1 1 51 14 23 o 0.2785000      1.142000      ?             ?      
1 1 1 51 14 24 o -1.065000      1.135000      ?             ?      
1 1 1 51 14 25 o -1.826000      1.136000      ?             ?      
1 1 1 51 14 26 o -1.495000      1.432000      ?             ?      
1 1 1 51 14 27 < 0.000000       -1.000000     ?             ?      
1 1 1 51 15 0  o -0.1469000     1.217000      ?             ?      
1 1 1 51 15 1  o -0.4934000     0.8465000     ?             ?      
1 1 1 51 15 2  o 0.7239000      0.8592000     ?             ?      
1 1 1 51 15 3  o -0.6951000     0.8434000     ?             ?      
1 1 1 51 15 4  o 1.636000       0.8609000     ?             ?      
1 1 1 51 15 5  o -0.1496000     0.9195000     ?             ?      
1 1 1 51 15 6  o 1.909000       0.9432000     ?             ?      
1 1 1 51 15 7  o -0.6600000     0.9079000     ?             ?      
1 1 1 51 15 8  f -0.4521000     0.9148000     ?             ?      
1 1 1 51 15 9  o -1.008000      0.8978000     ?             ?      
1 1 1 51 15 10 o -0.6042000     0.9666000     ?             ?      
1 1 1 51 15 11 o 0.3043000      0.9752000     ?             ?      
1 1 1 51 15 12 o -0.1692000     1.171000      ?             ?      
1 1 1 51 15 13 o -2.499000      1.122000      ?             ?      
1 1 1 51 15 14 o 0.8560000E-01  1.238000      ?             ?      
1 1 1 51 15 15 o 0.1400000      1.306000      ?             ?      
1 1 1 51 15 16 o -0.5750000     1.460000      ?             ?      
1 1 1 51 15 17 o 0.2816000      1.434000      ?             ?      
1 1 1 51 15 18 o -1.913000      1.391000      ?             ?      
1 1 1 51 15 19 o 2.982000       2.554000      ?             ?      
1 1 1 51 15 20 o -0.2838000     1.210000      ?             ?      
1 1 1 51 15 21 o -1.073000      1.413000      ?             ?      
1 1 1 51 15 22 o 0.2024000      1.873000      ?             ?      
1 1 1 51 15 23 o 0.2158000      1.143000      ?             ?      
1 1 1 51 15 24 o -0.7384000     1.143000      ?             ?      
1 1 1 51 15 25 o -3.556000      2.610000      ?             ?      
1 1 1 51 15 26 < 0.000000       -1.000000     ?             ?      
1 1 1 51 16 0  o 1.420000       1.213000      ?             ?      
1 1 1 51 16 1  o -0.2548000     0.8487000     ?             ?      
1 1 1 51 16 2  o 0.5642000E-01  0.8523000     ?             ?      
1 1 1 51 16 3  o -1.105000      0.8681000     ?             ?      
1 1 1 51 16 4  o -0.3048000     0.8433000     ?             ?      
1 1 1 51 16 5  o 0.4194000      0.8473000     ?             ?      
1 1 1 51 16 6  o 1.388000       0.8601000     ?             ?      
1 1 1 51 16 7  o -1.973000      0.8950000     ?             ?      
1 1 1 51 16 8  o -0.8149000     1.049000      ?             ?      
1 1 1 51 16 9  o 0.8865000      1.223000      ?             ?      
1 1 1 51 16 10 o -0.7962000     1.038000      ?             ?      
1 1 1 51 16 11 o 0.6099000      1.051000      ?             ?      
1 1 1 51 16 12 o -0.1426000     1.093000      ?             ?      
1 1 1 51 16 13 o -0.6439000     1.141000      ?             ?      
1 1 1 51 16 14 o -0.5999000     1.738000      ?             ?      
1 1 1 51 16 15 o -2.021000      1.445000      ?             ?      
1 1 1 51 16 16 o 0.7937000E-01  1.437000      ?             ?      
1 1 1 51 16 17 o 0.3965000E-01  1.185000      ?             ?      
1 1 1 51 16 18 o 1.323000       1.399000      ?             ?      
1 1 1 51 16 19 o 0.8070000      1.116000      ?             ?      
1 1 1 51 16 20 o 1.459000       1.419000      ?             ?      
1 1 1 51 16 21 o 1.264000       1.202000      ?             ?      
1 1 1 51 16 22 o 0.6571000      1.108000      ?             ?      
1 1 1 51 16 23 o -0.1681000     1.861000      ?             ?      
1 1 1 51 16 24 o 2.286000       2.618000      ?             ?      
1 1 1 51 16 25 o 1.001000       2.658000      ?             ?      
1 1 1 51 17 0  o -0.6172000     1.211000      ?             ?      
1 1 1 51 17 1  o -0.3351000     0.8581000     ?             ?      
1 1 1 51 17 2  o -0.3058000E-01 0.8587000     ?             ?      
1 1 1 51 17 3  o -0.5768000     0.8594000     ?             ?      
1 1 1 51 17 4  o -1.298000      0.9019000     ?             ?      
1 1 1 51 17 5  o -0.8682000     0.8927000     ?             ?      
1 1 1 51 17 6  o 0.9828000      0.9664000     ?             ?      
1 1 1 51 17 7  o -0.3349000E-01 0.9840000     ?             ?      
1 1 1 51 17 8  o 0.5345000      0.9362000     ?             ?      
1 1 1 51 17 9  o 0.7051000      0.9336000     ?             ?      
1 1 1 51 17 10 o 0.7255000      0.9499000     ?             ?      
1 1 1 51 17 11 o -0.8839000     1.432000      ?             ?      
1 1 1 51 17 12 o 0.1341000E-01  1.226000      ?             ?      
1 1 1 51 17 13 o -0.7409000     1.364000      ?             ?      
1 1 1 51 17 14 o 2.032000       1.450000      ?             ?      
1 1 1 51 17 15 o -1.903000      1.431000      ?             ?      
1 1 1 51 17 16 o -0.6256000     1.190000      ?             ?      
1 1 1 51 17 17 o 0.3025000E-01  1.318000      ?             ?      
1 1 1 51 17 18 o 0.1959000      1.382000      ?             ?      
1 1 1 51 17 19 o -1.078000      1.391000      ?             ?      
1 1 1 51 17 20 o -0.4165000     1.261000      ?             ?      
1 1 1 51 17 21 o 0.8259000      1.214000      ?             ?      
1 1 1 51 17 22 f 0.2312000      1.879000      ?             ?      
1 1 1 51 17 23 o 4.244000       2.659000      ?             ?      
1 1 1 51 17 24 < 0.000000       -1.000000     ?             ?      
1 1 1 51 18 0  o -2.908000      1.218000      ?             ?      
1 1 1 51 18 1  o 0.8855000E-01  1.222000      ?             ?      
1 1 1 51 18 2  o -1.431000      0.8940000     ?             ?      
1 1 1 51 18 3  o 0.2148000      0.9137000     ?             ?      
1 1 1 51 18 4  o -0.6615000     0.9694000     ?             ?      
1 1 1 51 18 5  o -0.4079000     0.9633000     ?             ?      
1 1 1 51 18 6  o -0.4711000     0.9052000     ?             ?      
1 1 1 51 18 7  o -0.2819000     0.9198000     ?             ?      
1 1 1 51 18 8  o -1.008000      0.9284000     ?             ?      
1 1 1 51 18 9  o -1.438000      0.9378000     ?             ?      
1 1 1 51 18 10 o -0.1071000     1.051000      ?             ?      
1 1 1 51 18 11 o -1.067000      1.115000      ?             ?      
1 1 1 51 18 12 o 0.9541000      1.141000      ?             ?      
1 1 1 51 18 13 o 1.380000       1.433000      ?             ?      
1 1 1 51 18 14 o -0.8178000     1.448000      ?             ?      
1 1 1 51 18 15 o 1.650000       1.413000      ?             ?      
1 1 1 51 18 16 o -1.849000      1.358000      ?             ?      
1 1 1 51 18 17 o 0.4062000      1.351000      ?             ?      
1 1 1 51 18 18 o 1.104000       1.375000      ?             ?      
1 1 1 51 18 19 o 0.2633000      1.413000      ?             ?      
1 1 1 51 18 20 o 0.3749000      1.267000      ?             ?      
1 1 1 51 18 21 o -0.8094000E-01 1.199000      ?             ?      
1 1 1 51 18 22 o 0.8813000      1.201000      ?             ?      
1 1 1 51 18 23 < 0.000000       -1.000000     ?             ?      
1 1 1 51 19 0  o -1.949000      1.332000      ?             ?      
1 1 1 51 19 1  o -0.6208000     1.064000      ?             ?      
1 1 1 51 19 2  o -0.4006000     0.9712000     ?             ?      
1 1 1 51 19 3  o -0.7495000     0.8704000     ?             ?      
1 1 1 51 19 4  o -0.5691000     0.9079000     ?             ?      
1 1 1 51 19 5  o -0.7633000     0.9052000     ?             ?      
1 1 1 51 19 6  o 0.5494000E-01  0.9146000     ?             ?      
1 1 1 51 19 7  o 0.5340000      0.9215000     ?             ?      
1 1 1 51 19 8  o 0.2196000      0.9374000     ?             ?      
1 1 1 51 19 9  o -0.7649000     1.051000      ?             ?      
1 1 1 51 19 10 o 0.1562000      1.055000      ?             ?      
1 1 1 51 19 11 o -1.128000      1.051000      ?             ?      
1 1 1 51 19 12 o -1.062000      1.073000      ?             ?      
1 1 1 51 19 13 o 0.4500000      1.261000      ?             ?      
1 1 1 51 19 14 o 0.1960000      1.188000      ?             ?      
1 1 1 51 19 15 o 0.8017000      1.193000      ?             ?      
1 1 1 51 19 16 o 0.5242000      1.164000      ?             ?      
1 1 1 51 19 17 o 0.6725000      1.340000      ?             ?      
1 1 1 51 19 18 o -0.5277000     1.367000      ?             ?      
1 1 1 51 19 19 o 0.6475000E-01  1.399000      ?             ?      
1 1 1 51 19 20 o -1.203000      1.202000      ?             ?      
1 1 1 51 19 21 o 0.3580000      1.489000      ?             ?      
1 1 1 51 19 22 o -2.971000      2.625000      ?             ?      
1 1 1 51 20 0  o -0.8639000     1.291000      ?             ?      
1 1 1 51 20 1  o -1.055000      0.9790000     ?             ?      
1 1 1 51 20 2  o 0.6795000      0.8932000     ?             ?      
1 1 1 51 20 3  o -2.266000      0.9085000     ?             ?      
1 1 1 51 20 4  o 0.7897000      0.9190000     ?             ?      
1 1 1 51 20 5  o -2.342000      0.9156000     ?             ?      
1 1 1 51 20 6  o -2.253000      0.9167000     ?             ?      
1 1 1 51 20 7  o -0.5556000     0.9236000     ?             ?      
1 1 1 51 20 8  o -2.098000      1.047000      ?             ?      
1 1 1 51 20 9  o 0.3677000E-01  1.182000      ?             ?      
1 1 1 51 20 10 o -2.359000      1.046000      ?             ?      
1 1 1 51 20 11 o -1.982000      1.016000      ?             ?      
1 1 1 51 20 12 o -0.8040000E-01 1.042000      ?             ?      
1 1 1 51 20 13 o -0.6149000     1.178000      ?             ?      
1 1 1 51 20 14 o -0.9920000     1.178000      ?             ?      
1 1 1 51 20 15 o 0.3762000E-01  1.153000      ?             ?      
1 1 1 51 20 16 o -0.7386000     1.337000      ?             ?      
1 1 1 51 20 17 o -1.413000      1.344000      ?             ?      
1 1 1 51 20 18 o -1.278000      1.380000      ?             ?      
1 1 1 51 20 19 o 0.4308000E-01  1.417000      ?             ?      
1 1 1 51 20 20 o 1.968000       1.495000      ?             ?      
1 1 1 51 20 21 < 0.000000       -1.000000     ?             ?      
1 1 1 51 21 0  o -0.8945000     1.266000      ?             ?      
1 1 1 51 21 1  o 0.6037000E-01  1.266000      ?             ?      
1 1 1 51 21 2  o -1.139000      0.9171000     ?             ?      
1 1 1 51 21 3  o 0.1141000      1.052000      ?             ?      
1 1 1 51 21 4  o -1.575000      1.048000      ?             ?      
1 1 1 51 21 5  o 0.2851000E-01  0.9334000     ?             ?      
1 1 1 51 21 6  o -1.252000      1.427000      ?             ?      
1 1 1 51 21 7  o -0.2107000     1.048000      ?             ?      
1 1 1 51 21 8  f -0.4835000     1.176000      ?             ?      
1 1 1 51 21 9  o 0.8465000      1.049000      ?             ?      
1 1 1 51 21 10 o -2.288000      1.588000      ?             ?      
1 1 1 51 21 11 o -1.233000      1.031000      ?             ?      
1 1 1 51 21 12 o 0.5174000      1.816000      ?             ?      
1 1 1 51 21 13 o -0.4285000E-01 1.170000      ?             ?      
1 1 1 51 21 14 o -0.2012000     1.176000      ?             ?      
1 1 1 51 21 15 o -3.051000      1.310000      ?             ?      
1 1 1 51 21 16 o -0.5226000     1.334000      ?             ?      
1 1 1 51 21 17 o -0.2165000     1.429000      ?             ?      
1 1 1 51 21 18 o -0.6811000E-01 2.108000      ?             ?      
1 1 1 51 21 19 o -1.157000      1.496000      ?             ?      
1 1 1 51 21 20 < 0.000000       -1.000000     ?             ?      
1 1 1 51 22 0  o -0.7685000     1.343000      ?             ?      
1 1 1 51 22 1  o -0.4305000     0.9299000     ?             ?      
1 1 1 51 22 2  o -0.8330000E-01 0.9236000     ?             ?      
1 1 1 51 22 3  o -0.1211000     0.9135000     ?             ?      
1 1 1 51 22 4  o 0.4292000      0.9252000     ?             ?      
1 1 1 51 22 5  o -1.803000      1.410000      ?             ?      
1 1 1 51 22 6  o -0.3552000E-01 1.062000      ?             ?      
1 1 1 51 22 7  o 0.2960000      1.049000      ?             ?      
1 1 1 51 22 8  o 0.3891000E-01  1.049000      ?             ?      
1 1 1 51 22 9  o 0.1784000      1.060000      ?             ?      
1 1 1 51 22 10 o -0.2858000     1.028000      ?             ?      
1 1 1 51 22 11 o -0.6440000     0.9626000     ?             ?      
1 1 1 51 22 12 o 0.1932000      1.112000      ?             ?      
1 1 1 51 22 13 o -0.8232000     1.172000      ?             ?      
1 1 1 51 22 14 o 0.9171000      1.164000      ?             ?      
1 1 1 51 22 15 o -3.719000      2.430000      ?             ?      
1 1 1 51 22 16 o -1.075000      1.373000      ?             ?      
1 1 1 51 22 17 o -0.8692000     2.045000      ?             ?      
1 1 1 51 22 18 f -0.4360000     1.781000      ?             ?      
1 1 1 51 23 0  o 1.071000       1.370000      ?             ?      
1 1 1 51 23 1  o -0.9980000     0.9678000     ?             ?      
1 1 1 51 23 2  o -0.7160000     0.9666000     ?             ?      
1 1 1 51 23 3  o 0.1699000      0.9349000     ?             ?      
1 1 1 51 23 4  o -0.7561000     1.058000      ?             ?      
1 1 1 51 23 5  o -0.5525000     1.061000      ?             ?      
1 1 1 51 23 6  o 0.8874000      1.069000      ?             ?      
1 1 1 51 23 7  o -1.333000      1.055000      ?             ?      
1 1 1 51 23 8  o -0.4786000     0.9934000     ?             ?      
1 1 1 51 23 9  o -2.640000      1.586000      ?             ?      
1 1 1 51 23 10 o 0.9533000      1.034000      ?             ?      
1 1 1 51 23 11 o -2.087000      1.213000      ?             ?      
1 1 1 51 23 12 o 0.9009000      1.201000      ?             ?      
1 1 1 51 23 13 o -0.6121000E-01 1.181000      ?             ?      
1 1 1 51 23 14 o 1.216000       1.343000      ?             ?      
1 1 1 51 23 15 o 0.6758000      2.055000      ?             ?      
1 1 1 51 23 16 < 0.000000       -1.000000     ?             ?      
1 1 1 51 24 0  o 0.2004000      1.386000      ?             ?      
1 1 1 51 24 1  o -1.145000      0.9809000     ?             ?      
1 1 1 51 24 2  o -0.4527000     0.9831000     ?             ?      
1 1 1 51 24 3  o -1.193000      1.143000      ?             ?      
1 1 1 51 24 4  o -0.1618000     1.097000      ?             ?      
1 1 1 51 24 5  o 0.7146000E-01  1.074000      ?             ?      
1 1 1 51 24 6  o 0.5109000E-01  1.075000      ?             ?      
1 1 1 51 24 7  o -1.963000      1.009000      ?             ?      
1 1 1 51 24 8  o -0.7114000     0.9977000     ?             ?      
1 1 1 51 24 9  o 0.9950000E-02  0.9576000     ?             ?      
1 1 1 51 24 10 o 0.2942000      0.9903000     ?             ?      
1 1 1 51 24 11 o -2.307000      1.165000      ?             ?      
1 1 1 51 24 12 o 0.8170000      1.463000      ?             ?      
1 1 1 51 24 13 o -1.735000      2.121000      ?             ?      
1 1 1 51 24 14 < 0.000000       -1.000000     ?             ?      
1 1 1 51 25 0  o -1.392000      1.400000      ?             ?      
1 1 1 51 25 1  o -0.6296000     1.133000      ?             ?      
1 1 1 51 25 2  o -1.981000      1.120000      ?             ?      
1 1 1 51 25 3  o -0.1355000     1.117000      ?             ?      
1 1 1 51 25 4  o -0.6453000     1.170000      ?             ?      
1 1 1 51 25 5  o -0.2434000     1.117000      ?             ?      
1 1 1 51 25 6  o 0.5081000      1.113000      ?             ?      
1 1 1 51 25 7  o -0.2474000     1.073000      ?             ?      
1 1 1 51 25 8  o -0.5789000     1.066000      ?             ?      
1 1 1 51 25 9  o -0.1852000     1.091000      ?             ?      
1 1 1 51 25 10 o 1.232000       1.474000      ?             ?      
1 1 1 51 25 11 o 0.5085000      1.472000      ?             ?      
1 1 1 51 25 12 < 0.000000       -1.000000     ?             ?      
1 1 1 51 26 0  o -0.4624000     2.007000      ?             ?      
1 1 1 51 26 1  o 0.3034000      1.237000      ?             ?      
1 1 1 51 26 2  o -0.3722000     1.990000      ?             ?      
1 1 1 51 26 3  o -0.4796000     1.230000      ?             ?      
1 1 1 51 26 4  o 0.6264000      1.801000      ?             ?      
1 1 1 51 26 5  o -0.7607000     1.234000      ?             ?      
1 1 1 51 26 6  o -0.1741000     1.154000      ?             ?      
1 1 1 51 26 7  o 0.3057000      1.132000      ?             ?      
1 1 1 51 26 8  o -3.883000      1.976000      ?             ?      
1 1 1 51 26 9  o -1.175000      2.381000      ?             ?      
1 1 1 51 27 0  o -2.100000      2.503000      ?             ?      
1 1 1 51 27 1  o 1.857000       1.834000      ?             ?      
1 1 1 51 27 2  o 4.003000       2.535000      ?             ?      
1 1 1 51 27 3  o 0.8771000      2.443000      ?             ?      
1 1 1 51 27 4  o 2.934000       2.524000      ?             ?      
1 1 1 52 0  0  o 1.378000       1.671000      ?             ?      
1 1 1 52 0  1  o -0.2983000     1.190000      ?             ?      
1 1 1 52 0  2  o -0.4395000     1.188000      ?             ?      
1 1 1 52 0  3  o -2.967000      1.194000      ?             ?      
1 1 1 52 0  4  f -0.9409000     1.187000      ?             ?      
1 1 1 52 0  5  o 0.5337000      1.199000      ?             ?      
1 1 1 52 0  6  o -0.3419000E-01 1.269000      ?             ?      
1 1 1 52 0  7  o -0.8964000     1.288000      ?             ?      
1 1 1 52 0  8  o 0.3155000      1.296000      ?             ?      
1 1 1 52 0  9  o -1.759000      1.300000      ?             ?      
1 1 1 52 0  10 o -1.174000      1.314000      ?             ?      
1 1 1 52 0  11 o 0.6929000E-01  1.327000      ?             ?      
1 1 1 52 0  12 o -0.3711000     1.613000      ?             ?      
1 1 1 52 0  13 o -1.251000      1.606000      ?             ?      
1 1 1 52 0  14 o 1.319000       1.837000      ?             ?      
1 1 1 52 0  15 o -2.341000      1.920000      ?             ?      
1 1 1 52 0  16 o -0.3773000     1.741000      ?             ?      
1 1 1 52 0  17 o -2.997000      2.129000      ?             ?      
1 1 1 52 0  18 o 0.9225000      2.244000      ?             ?      
1 1 1 52 0  19 o -5.355000      1.929000      ?             ?      
1 1 1 52 0  20 o 0.5777000      1.888000      ?             ?      
1 1 1 52 0  21 o -2.965000      1.689000      ?             ?      
1 1 1 52 0  22 o -3.775000      1.494000      ?             ?      
1 1 1 52 0  23 o -1.331000      1.876000      ?             ?      
1 1 1 52 0  24 o -0.7739000     1.643000      ?             ?      
1 1 1 52 0  25 o 2.851000       1.609000      ?             ?      
1 1 1 52 0  26 o 1.657000       1.397000      ?             ?      
1 1 1 52 0  27 o 2.344000       1.854000      ?             ?      
1 1 1 52 0  28 o -1.781000      2.743000      ?             ?      
1 1 1 52 1  0  f -1.962000      1.183000      ?             ?      
1 1 1 52 1  1  o 1.038000       0.8451000     ?             ?      
1 1 1 52 1  2  o -1.345000      0.8359000     ?             ?      
1 1 1 52 1  3  o 0.1070000      0.8319000     ?             ?      
1 1 1 52 1  4  o -1.019000      0.8367000     ?             ?      
1 1 1 52 1  5  o -0.8446000     0.8747000     ?             ?      
1 1 1 52 1  6  o 0.2446000      0.9035000     ?             ?      
1 1 1 52 1  7  o 0.9560000      0.9170000     ?             ?      
1 1 1 52 1  8  o -0.8253000     0.9121000     ?             ?      
1 1 1 52 1  9  o -0.2115000     0.9226000     ?             ?      
1 1 1 52 1  10 o 1.161000       0.9286000     ?             ?      
1 1 1 52 1  11 o 0.7692000      0.9465000     ?             ?      
1 1 1 52 1  12 o -0.2072000     1.148000      ?             ?      
1 1 1 52 1  13 o -1.215000      1.236000      ?             ?      
1 1 1 52 1  14 o -0.3917000     1.264000      ?             ?      
1 1 1 52 1  15 o -0.6448000     1.335000      ?             ?      
1 1 1 52 1  16 o -1.665000      1.233000      ?             ?      
1 1 1 52 1  17 o 0.4237000      1.541000      ?             ?      
1 1 1 52 1  18 o -0.6737000     1.550000      ?             ?      
1 1 1 52 1  19 o -0.1107000     1.265000      ?             ?      
1 1 1 52 1  20 o 0.4284000E-01  1.275000      ?             ?      
1 1 1 52 1  21 o 0.2930000      1.216000      ?             ?      
1 1 1 52 1  22 o -1.569000      1.082000      ?             ?      
1 1 1 52 1  23 o 0.7363000      1.651000      ?             ?      
1 1 1 52 1  24 o -0.4490000     1.232000      ?             ?      
1 1 1 52 1  25 o -0.6627000     1.065000      ?             ?      
1 1 1 52 1  26 o -0.5463000     0.9816000     ?             ?      
1 1 1 52 1  27 o 0.1032000      1.581000      ?             ?      
1 1 1 52 1  28 < 0.000000       -1.000000     ?             ?      
1 1 1 52 2  0  o 0.9428000E-01  1.184000      ?             ?      
1 1 1 52 2  1  o 0.5020000      0.8444000     ?             ?      
1 1 1 52 2  2  o -0.7277000     0.8399000     ?             ?      
1 1 1 52 2  3  o -0.2461000     0.8269000     ?             ?      
1 1 1 52 2  4  o 1.531000       0.8575000     ?             ?      
1 1 1 52 2  5  o 0.8370000      0.8702000     ?             ?      
1 1 1 52 2  6  o 0.9801000      0.8866000     ?             ?      
1 1 1 52 2  7  o -0.2926000     0.8933000     ?             ?      
1 1 1 52 2  8  o -1.185000      0.9067000     ?             ?      
1 1 1 52 2  9  o 1.440000       0.9177000     ?             ?      
1 1 1 52 2  10 o -0.3701000     0.9263000     ?             ?      
1 1 1 52 2  11 o -2.070000      0.9369000     ?             ?      
1 1 1 52 2  12 o -0.6896000     1.205000      ?             ?      
1 1 1 52 2  13 o 0.5301000      1.223000      ?             ?      
1 1 1 52 2  14 o 1.098000       1.264000      ?             ?      
1 1 1 52 2  15 o -1.695000      1.299000      ?             ?      
1 1 1 52 2  16 o -1.280000      1.411000      ?             ?      
1 1 1 52 2  17 o -1.627000      1.549000      ?             ?      
1 1 1 52 2  18 o -1.551000      1.458000      ?             ?      
1 1 1 52 2  19 o -1.319000      1.185000      ?             ?      
1 1 1 52 2  20 o -1.042000      1.175000      ?             ?      
1 1 1 52 2  21 o 0.4049000      1.281000      ?             ?      
1 1 1 52 2  22 o -2.449000      1.485000      ?             ?      
1 1 1 52 2  23 o 1.027000       1.115000      ?             ?      
1 1 1 52 2  24 o -3.417000      1.643000      ?             ?      
1 1 1 52 2  25 o 1.258000       1.117000      ?             ?      
1 1 1 52 2  26 o 1.002000       1.107000      ?             ?      
1 1 1 52 2  27 o -0.5434000     1.382000      ?             ?      
1 1 1 52 3  0  o 0.2133000      1.187000      ?             ?      
1 1 1 52 3  1  o -0.1269000     0.8339000     ?             ?      
1 1 1 52 3  2  o 1.020000       0.8369000     ?             ?      
1 1 1 52 3  3  o 0.2895000      0.8514000     ?             ?      
1 1 1 52 3  4  o 1.080000       0.8536000     ?             ?      
1 1 1 52 3  5  o 0.1797000      0.8672000     ?             ?      
1 1 1 52 3  6  o 0.3219000      0.8818000     ?             ?      
1 1 1 52 3  7  o -0.1581000     0.8981000     ?             ?      
1 1 1 52 3  8  o -0.2596000     0.9051000     ?             ?      
1 1 1 52 3  9  o 0.7657000      0.9121000     ?             ?      
1 1 1 52 3  10 o -0.1994000     0.9211000     ?             ?      
1 1 1 52 3  11 o 0.1952000E-01  0.9875000     ?             ?      
1 1 1 52 3  12 o 1.535000       1.222000      ?             ?      
1 1 1 52 3  13 o -1.658000      1.235000      ?             ?      
1 1 1 52 3  14 o 1.334000       1.296000      ?             ?      
1 1 1 52 3  15 o -1.885000      1.258000      ?             ?      
1 1 1 52 3  16 o 0.5632000      1.446000      ?             ?      
1 1 1 52 3  17 o -1.979000      2.146000      ?             ?      
1 1 1 52 3  18 o -1.003000      1.439000      ?             ?      
1 1 1 52 3  19 o -0.8193000     1.179000      ?             ?      
1 1 1 52 3  20 o -2.523000      1.703000      ?             ?      
1 1 1 52 3  21 o -1.755000      1.353000      ?             ?      
1 1 1 52 3  22 o -0.9843000     1.235000      ?             ?      
1 1 1 52 3  23 o 0.2255000      1.112000      ?             ?      
1 1 1 52 3  24 o 0.4455000      1.053000      ?             ?      
1 1 1 52 3  25 o -0.4938000     1.163000      ?             ?      
1 1 1 52 3  26 o 0.3885000      1.100000      ?             ?      
1 1 1 52 3  27 o -1.799000      1.544000      ?             ?      
1 1 1 52 4  0  o 0.5453000      1.208000      ?             ?      
1 1 1 52 4  1  o 0.3992000      0.8597000     ?             ?      
1 1 1 52 4  2  o 0.2359000      0.8599000     ?             ?      
1 1 1 52 4  3  o -0.9449000     0.8556000     ?             ?      
1 1 1 52 4  4  o 1.281000       0.8529000     ?             ?      
1 1 1 52 4  5  o -0.4494000     0.8723000     ?             ?      
1 1 1 52 4  6  o -0.3633000     0.8827000     ?             ?      
1 1 1 52 4  7  o -0.2632000     0.8944000     ?             ?      
1 1 1 52 4  8  o 0.4602000      0.9039000     ?             ?      
1 1 1 52 4  9  o -0.3761000     0.9159000     ?             ?      
1 1 1 52 4  10 o 0.3599000      0.9637000     ?             ?      
1 1 1 52 4  11 o 0.6976000      0.9776000     ?             ?      
1 1 1 52 4  12 o -0.5329000     1.202000      ?             ?      
1 1 1 52 4  13 o -0.5824000     1.235000      ?             ?      
1 1 1 52 4  14 o -1.515000      1.282000      ?             ?      
1 1 1 52 4  15 o 0.7759000      1.307000      ?             ?      
1 1 1 52 4  16 o 0.7417000      2.116000      ?             ?      
1 1 1 52 4  17 o 3.043000       2.218000      ?             ?      
1 1 1 52 4  18 o -1.141000      1.358000      ?             ?      
1 1 1 52 4  19 o 1.466000       1.174000      ?             ?      
1 1 1 52 4  20 o -0.1835000     1.297000      ?             ?      
1 1 1 52 4  21 o 0.3919000      1.261000      ?             ?      
1 1 1 52 4  22 o 1.562000       1.245000      ?             ?      
1 1 1 52 4  23 o -1.331000      1.071000      ?             ?      
1 1 1 52 4  24 o 0.6408000      1.056000      ?             ?      
1 1 1 52 4  25 o -0.4809000     1.060000      ?             ?      
1 1 1 52 4  26 o -2.478000      1.121000      ?             ?      
1 1 1 52 4  27 o -5.003000      3.906000      ?             ?      
1 1 1 52 5  0  o 1.742000       1.212000      ?             ?      
1 1 1 52 5  1  o -0.4904000     0.8472000     ?             ?      
1 1 1 52 5  2  o 1.118000       0.9493000     ?             ?      
1 1 1 52 5  3  o -0.9912000     0.8508000     ?             ?      
1 1 1 52 5  4  o -0.3973000     0.8548000     ?             ?      
1 1 1 52 5  5  o -0.2017000     0.8566000     ?             ?      
1 1 1 52 5  6  o -0.5094000     0.8765000     ?             ?      
1 1 1 52 5  7  o -1.470000      0.8712000     ?             ?      
1 1 1 52 5  8  o 0.4617000E-01  0.9116000     ?             ?      
1 1 1 52 5  9  o -0.3582000     0.9549000     ?             ?      
1 1 1 52 5  10 o -0.5035000     0.9728000     ?             ?      
1 1 1 52 5  11 o 1.633000       0.9934000     ?             ?      
1 1 1 52 5  12 o 0.1460000      1.221000      ?             ?      
1 1 1 52 5  13 o -1.632000      1.230000      ?             ?      
1 1 1 52 5  14 o -1.809000      1.287000      ?             ?      
1 1 1 52 5  15 o 1.139000       1.325000      ?             ?      
1 1 1 52 5  16 o -2.747000      2.153000      ?             ?      
1 1 1 52 5  17 o 0.8144000      1.658000      ?             ?      
1 1 1 52 5  18 o -0.1962000     1.830000      ?             ?      
1 1 1 52 5  19 o -0.3311000     1.321000      ?             ?      
1 1 1 52 5  20 o -0.2751000     1.285000      ?             ?      
1 1 1 52 5  21 o -0.8393000     1.148000      ?             ?      
1 1 1 52 5  22 o -1.173000      1.149000      ?             ?      
1 1 1 52 5  23 o 0.8730000      1.074000      ?             ?      
1 1 1 52 5  24 o -1.108000      1.059000      ?             ?      
1 1 1 52 5  25 o 0.6259000      1.072000      ?             ?      
1 1 1 52 5  26 o -0.7170000     1.406000      ?             ?      
1 1 1 52 5  27 o 1.379000       2.830000      ?             ?      
1 1 1 52 6  0  o 2.465000       1.251000      ?             ?      
1 1 1 52 6  1  o 0.7293000      0.8545000     ?             ?      
1 1 1 52 6  2  o -1.293000      0.8454000     ?             ?      
1 1 1 52 6  3  o 0.4391000      0.8460000     ?             ?      
1 1 1 52 6  4  o -0.7677000     0.8512000     ?             ?      
1 1 1 52 6  5  o 0.8535000      0.8592000     ?             ?      
1 1 1 52 6  6  o -0.8829000     0.8714000     ?             ?      
1 1 1 52 6  7  o 0.4817000      0.8640000     ?             ?      
1 1 1 52 6  8  o 1.011000       0.9559000     ?             ?      
1 1 1 52 6  9  o -0.9734000     0.9640000     ?             ?      
1 1 1 52 6  10 o 1.430000       0.9830000     ?             ?      
1 1 1 52 6  11 o 0.6748000      1.160000      ?             ?      
1 1 1 52 6  12 o 0.2054000      1.232000      ?             ?      
1 1 1 52 6  13 o 0.1773000      1.263000      ?             ?      
1 1 1 52 6  14 o -1.513000      1.296000      ?             ?      
1 1 1 52 6  15 o 3.927000       3.179000      ?             ?      
1 1 1 52 6  16 o -1.138000      1.733000      ?             ?      
1 1 1 52 6  17 o -0.5362000     1.369000      ?             ?      
1 1 1 52 6  18 o -0.3644000     1.333000      ?             ?      
1 1 1 52 6  19 o 0.8262000      1.388000      ?             ?      
1 1 1 52 6  20 o 0.6591000      1.282000      ?             ?      
1 1 1 52 6  21 o -1.004000      1.669000      ?             ?      
1 1 1 52 6  22 o -1.315000      1.081000      ?             ?      
1 1 1 52 6  23 o -1.356000      1.082000      ?             ?      
1 1 1 52 6  24 o 0.3912000      1.067000      ?             ?      
1 1 1 52 6  25 o -2.044000      1.055000      ?             ?      
1 1 1 52 6  26 o -1.849000      2.517000      ?             ?      
1 1 1 52 6  27 < 0.000000       -1.000000     ?             ?      
1 1 1 52 7  0  o -0.8712000     1.208000      ?             ?      
1 1 1 52 7  1  o 0.9960000      0.8521000     ?             ?      
1 1 1 52 7  2  o 0.3315000      0.8533000     ?             ?      
1 1 1 52 7  3  o -0.2987000     0.8478000     ?             ?      
1 1 1 52 7  4  o 0.6282000      0.8582000     ?             ?      
1 1 1 52 7  5  o -1.510000      0.8544000     ?             ?      
1 1 1 52 7  6  o -1.306000      0.8568000     ?             ?      
1 1 1 52 7  7  o 1.583000       0.9133000     ?             ?      
1 1 1 52 7  8  o 0.5901000      0.9263000     ?             ?      
1 1 1 52 7  9  o -1.039000      0.9742000     ?             ?      
1 1 1 52 7  10 o -0.4383000     0.9811000     ?             ?      
1 1 1 52 7  11 o -2.369000      1.151000      ?             ?      
1 1 1 52 7  12 o -0.6229000     1.249000      ?             ?      
1 1 1 52 7  13 o -0.7414000     1.436000      ?             ?      
1 1 1 52 7  14 o -1.654000      1.854000      ?             ?      
1 1 1 52 7  15 o -0.6819000     1.566000      ?             ?      
1 1 1 52 7  16 o -1.799000      1.595000      ?             ?      
1 1 1 52 7  17 o -1.317000      1.261000      ?             ?      
1 1 1 52 7  18 o -2.134000      1.253000      ?             ?      
1 1 1 52 7  19 o 0.7232000      1.436000      ?             ?      
1 1 1 52 7  20 o 1.716000       1.168000      ?             ?      
1 1 1 52 7  21 o 0.7377000      1.077000      ?             ?      
1 1 1 52 7  22 o -1.736000      1.075000      ?             ?      
1 1 1 52 7  23 o 0.7713000      1.058000      ?             ?      
1 1 1 52 7  24 o 0.1236000      1.101000      ?             ?      
1 1 1 52 7  25 o 0.9863000      1.196000      ?             ?      
1 1 1 52 7  26 o -0.4183000E-01 1.450000      ?             ?      
1 1 1 52 8  0  o 1.997000       1.221000      ?             ?      
1 1 1 52 8  1  o 1.141000       0.8617000     ?             ?      
1 1 1 52 8  2  o -0.1928000     0.8430000     ?             ?      
1 1 1 52 8  3  o 0.4441000      0.8572000     ?             ?      
1 1 1 52 8  4  o -0.2136000     0.8610000     ?             ?      
1 1 1 52 8  5  o -0.8466000     0.8552000     ?             ?      
1 1 1 52 8  6  o -0.1614000     0.8974000     ?             ?      
1 1 1 52 8  7  o 0.3133000      0.9214000     ?             ?      
1 1 1 52 8  8  o -0.6431000E-01 0.9599000     ?             ?      
1 1 1 52 8  9  o 1.115000       0.9724000     ?             ?      
1 1 1 52 8  10 o -0.8093000     1.079000      ?             ?      
1 1 1 52 8  11 o 0.3077000      1.365000      ?             ?      
1 1 1 52 8  12 o 0.7964000      1.348000      ?             ?      
1 1 1 52 8  13 o 0.6274000      1.762000      ?             ?      
1 1 1 52 8  14 o -2.472000      1.448000      ?             ?      
1 1 1 52 8  15 o -0.1249000     1.594000      ?             ?      
1 1 1 52 8  16 o -0.7482000E-01 1.594000      ?             ?      
1 1 1 52 8  17 o -1.028000      1.244000      ?             ?      
1 1 1 52 8  18 o 0.8043000      1.187000      ?             ?      
1 1 1 52 8  19 o -1.096000      1.430000      ?             ?      
1 1 1 52 8  20 o -0.4137000     1.096000      ?             ?      
1 1 1 52 8  21 o -1.572000      1.088000      ?             ?      
1 1 1 52 8  22 o 1.329000       1.090000      ?             ?      
1 1 1 52 8  23 o 0.3285000      1.059000      ?             ?      
1 1 1 52 8  24 o -0.9361000     1.053000      ?             ?      
1 1 1 52 8  25 o -1.458000      1.391000      ?             ?      
1 1 1 52 8  26 < 0.000000       -1.000000     ?             ?      
1 1 1 52 9  0  o -0.8796000     1.227000      ?             ?      
1 1 1 52 9  1  o 0.3674000      0.8641000     ?             ?      
1 1 1 52 9  2  o -1.332000      0.8483000     ?             ?      
1 1 1 52 9  3  o 0.6848000E-01  0.8591000     ?             ?      
1 1 1 52 9  4  o 0.8561000      0.8868000     ?             ?      
1 1 1 52 9  5  o -1.376000      0.9259000     ?             ?      
1 1 1 52 9  6  o 0.3576000E-01  0.8963000     ?             ?      
1 1 1 52 9  7  f 0.4413000      0.9004000     ?             ?      
1 1 1 52 9  8  o -0.4236000     1.008000      ?             ?      
1 1 1 52 9  9  o -0.2080000     1.137000      ?             ?      
1 1 1 52 9  10 o -0.2973000     1.125000      ?             ?      
1 1 1 52 9  11 o -1.741000      1.240000      ?             ?      
1 1 1 52 9  12 o -1.124000      1.704000      ?             ?      
1 1 1 52 9  13 o -0.7680000     1.486000      ?             ?      
1 1 1 52 9  14 o -1.419000      1.281000      ?             ?      
1 1 1 52 9  15 o -2.204000      1.575000      ?             ?      
1 1 1 52 9  16 o -3.508000      1.577000      ?             ?      
1 1 1 52 9  17 o 0.4941000      1.155000      ?             ?      
1 1 1 52 9  18 o 1.203000       1.346000      ?             ?      
1 1 1 52 9  19 o -0.4239000E-03 1.337000      ?             ?      
1 1 1 52 9  20 o -2.106000      1.098000      ?             ?      
1 1 1 52 9  21 o -0.8053000     1.092000      ?             ?      
1 1 1 52 9  22 o 0.7252000      1.091000      ?             ?      
1 1 1 52 9  23 o -0.3482000E-01 1.075000      ?             ?      
1 1 1 52 9  24 o -1.330000      1.049000      ?             ?      
1 1 1 52 9  25 o -0.8360000     1.480000      ?             ?      
1 1 1 52 9  26 < 0.000000       -1.000000     ?             ?      
1 1 1 52 10 0  o -1.666000      1.236000      ?             ?      
1 1 1 52 10 1  o -0.3006000     0.8897000     ?             ?      
1 1 1 52 10 2  o -0.3522000     0.8880000     ?             ?      
1 1 1 52 10 3  o -1.078000      0.8581000     ?             ?      
1 1 1 52 10 4  o 0.9051000      0.8984000     ?             ?      
1 1 1 52 10 5  o 1.251000       0.9582000     ?             ?      
1 1 1 52 10 6  o -0.6047000     0.9608000     ?             ?      
1 1 1 52 10 7  o -0.5357000     0.9524000     ?             ?      
1 1 1 52 10 8  o -0.9761000E-01 0.9628000     ?             ?      
1 1 1 52 10 9  o -0.3915000     1.018000      ?             ?      
1 1 1 52 10 10 o 0.7637000      1.226000      ?             ?      
1 1 1 52 10 11 o -1.301000      1.722000      ?             ?      
1 1 1 52 10 12 o 0.1667000      1.689000      ?             ?      
1 1 1 52 10 13 o -0.2299000     1.317000      ?             ?      
1 1 1 52 10 14 o -0.4294000     1.298000      ?             ?      
1 1 1 52 10 15 o -1.014000      1.569000      ?             ?      
1 1 1 52 10 16 o -1.079000      1.066000      ?             ?      
1 1 1 52 10 17 o 0.2556000E-01  1.165000      ?             ?      
1 1 1 52 10 18 o -1.112000      1.325000      ?             ?      
1 1 1 52 10 19 o -0.3347000     1.248000      ?             ?      
1 1 1 52 10 20 o -1.199000      1.084000      ?             ?      
1 1 1 52 10 21 o -0.2731000     1.104000      ?             ?      
1 1 1 52 10 22 o 0.9285000      1.121000      ?             ?      
1 1 1 52 10 23 o 0.6504000      1.121000      ?             ?      
1 1 1 52 10 24 o -0.1138000     1.425000      ?             ?      
1 1 1 52 10 25 < 0.000000       -1.000000     ?             ?      
1 1 1 52 11 0  o -2.137000      1.294000      ?             ?      
1 1 1 52 11 1  o 0.4991000E-01  0.8890000     ?             ?      
1 1 1 52 11 2  o -0.2463000     0.8699000     ?             ?      
1 1 1 52 11 3  o 0.6396000      0.9588000     ?             ?      
1 1 1 52 11 4  o 0.6512000      1.038000      ?             ?      
1 1 1 52 11 5  o 0.1417000      0.9379000     ?             ?      
1 1 1 52 11 6  o -0.8912000     0.9072000     ?             ?      
1 1 1 52 11 7  o -0.8520000     0.9183000     ?             ?      
1 1 1 52 11 8  o -0.7827000     0.9288000     ?             ?      
1 1 1 52 11 9  o 0.7030000      0.9976000     ?             ?      
1 1 1 52 11 10 o 0.7527000      1.681000      ?             ?      
1 1 1 52 11 11 o -2.028000      1.712000      ?             ?      
1 1 1 52 11 12 o -1.853000      1.426000      ?             ?      
1 1 1 52 11 13 o -0.4248000     1.318000      ?             ?      
1 1 1 52 11 14 o -6.345000      2.960000      ?             ?      
1 1 1 52 11 15 o 2.789000       2.881000      ?             ?      
1 1 1 52 11 16 o -1.883000      1.142000      ?             ?      
1 1 1 52 11 17 o -1.155000      1.332000      ?             ?      
1 1 1 52 11 18 o 2.371000       2.071000      ?             ?      
1 1 1 52 11 19 o 0.2306000      1.138000      ?             ?      
1 1 1 52 11 20 o 1.123000       1.152000      ?             ?      
1 1 1 52 11 21 o 0.9164000E-01  1.181000      ?             ?      
1 1 1 52 11 22 o -0.2037000     1.130000      ?             ?      
1 1 1 52 11 23 o -0.1298000     1.106000      ?             ?      
1 1 1 52 11 24 o 1.367000       1.437000      ?             ?      
1 1 1 52 11 25 < 0.000000       -1.000000     ?             ?      
1 1 1 52 12 0  o -0.6610000     1.549000      ?             ?      
1 1 1 52 12 1  o -1.159000      0.9786000     ?             ?      
1 1 1 52 12 2  o -0.2366000     0.9568000     ?             ?      
1 1 1 52 12 3  o -0.1895000     0.9240000     ?             ?      
1 1 1 52 12 4  o -0.4206000E-01 0.9215000     ?             ?      
1 1 1 52 12 5  o 0.2699000      0.9028000     ?             ?      
1 1 1 52 12 6  o -0.9276000     0.9066000     ?             ?      
1 1 1 52 12 7  o 0.1739000      0.9748000     ?             ?      
1 1 1 52 12 8  o -1.461000      0.9849000     ?             ?      
1 1 1 52 12 9  o -0.8338000     1.100000      ?             ?      
1 1 1 52 12 10 o -3.392000      1.683000      ?             ?      
1 1 1 52 12 11 o -1.885000      1.414000      ?             ?      
1 1 1 52 12 12 o -0.3856000E-01 1.323000      ?             ?      
1 1 1 52 12 13 o 1.482000       2.185000      ?             ?      
1 1 1 52 12 14 o -0.3658000     1.613000      ?             ?      
1 1 1 52 12 15 o -1.633000      1.253000      ?             ?      
1 1 1 52 12 16 o 0.2812000      1.158000      ?             ?      
1 1 1 52 12 17 o 0.8670000      1.349000      ?             ?      
1 1 1 52 12 18 o -0.7659000     1.267000      ?             ?      
1 1 1 52 12 19 o -0.6734000     1.131000      ?             ?      
1 1 1 52 12 20 o -1.068000      1.088000      ?             ?      
1 1 1 52 12 21 o -1.755000      1.197000      ?             ?      
1 1 1 52 12 22 f 1.364000       1.217000      ?             ?      
1 1 1 52 12 23 o -0.4814000     1.389000      ?             ?      
1 1 1 52 12 24 o 2.643000       1.860000      ?             ?      
1 1 1 52 13 0  o -1.002000      1.533000      ?             ?      
1 1 1 52 13 1  o 0.1566000      1.035000      ?             ?      
1 1 1 52 13 2  o 0.8476000      1.026000      ?             ?      
1 1 1 52 13 3  o -0.2075000E-01 1.009000      ?             ?      
1 1 1 52 13 4  o -0.2800000     0.9375000     ?             ?      
1 1 1 52 13 5  o -1.939000      0.9769000     ?             ?      
1 1 1 52 13 6  o 1.883000       0.9787000     ?             ?      
1 1 1 52 13 7  o -2.079000      1.697000      ?             ?      
1 1 1 52 13 8  o -1.250000      1.107000      ?             ?      
1 1 1 52 13 9  o -1.387000      1.410000      ?             ?      
1 1 1 52 13 10 o -0.4824000     1.275000      ?             ?      
1 1 1 52 13 11 o 0.3304000      1.308000      ?             ?      
1 1 1 52 13 12 o -2.235000      1.304000      ?             ?      
1 1 1 52 13 13 o -0.3685000     1.282000      ?             ?      
1 1 1 52 13 14 o -0.4540000     2.045000      ?             ?      
1 1 1 52 13 15 o -0.7462000     1.053000      ?             ?      
1 1 1 52 13 16 o 0.5027000E-01  1.186000      ?             ?      
1 1 1 52 13 17 o 1.187000       1.270000      ?             ?      
1 1 1 52 13 18 o -0.5938000     1.260000      ?             ?      
1 1 1 52 13 19 f 1.679000       1.185000      ?             ?      
1 1 1 52 13 20 o -1.419000      1.179000      ?             ?      
1 1 1 52 13 21 o -0.4112000     1.112000      ?             ?      
1 1 1 52 13 22 o 0.6419000      1.435000      ?             ?      
1 1 1 52 13 23 o 0.5791000      2.121000      ?             ?      
1 1 1 52 14 0  o 0.8272000      1.314000      ?             ?      
1 1 1 52 14 1  o 0.6501000E-01  0.9464000     ?             ?      
1 1 1 52 14 2  o -0.6173000E-01 0.9474000     ?             ?      
1 1 1 52 14 3  o 0.5742000E-01  1.032000      ?             ?      
1 1 1 52 14 4  o 0.8512000      1.186000      ?             ?      
1 1 1 52 14 5  o -0.6651000E-01 1.025000      ?             ?      
1 1 1 52 14 6  o -0.6110000     1.083000      ?             ?      
1 1 1 52 14 7  o -1.790000      1.096000      ?             ?      
1 1 1 52 14 8  o -1.857000      1.375000      ?             ?      
1 1 1 52 14 9  o 0.9504000      1.279000      ?             ?      
1 1 1 52 14 10 o -2.300000      1.186000      ?             ?      
1 1 1 52 14 11 o 0.3042000      1.302000      ?             ?      
1 1 1 52 14 12 o 0.9506000      1.323000      ?             ?      
1 1 1 52 14 13 o -2.009000      1.237000      ?             ?      
1 1 1 52 14 14 o -1.873000      1.315000      ?             ?      
1 1 1 52 14 15 o 0.7322000E-01  1.139000      ?             ?      
1 1 1 52 14 16 o -0.4524000     1.445000      ?             ?      
1 1 1 52 14 17 o -0.3361000     1.373000      ?             ?      
1 1 1 52 14 18 o -0.3605000     1.150000      ?             ?      
1 1 1 52 14 19 o -0.6740000     1.101000      ?             ?      
1 1 1 52 14 20 o -0.5662000     1.125000      ?             ?      
1 1 1 52 14 21 o -3.652000      2.576000      ?             ?      
1 1 1 52 14 22 o 0.3967000E-01  1.537000      ?             ?      
1 1 1 52 14 23 < 0.000000       -1.000000     ?             ?      
1 1 1 52 15 0  o -0.9791000     1.319000      ?             ?      
1 1 1 52 15 1  o -0.9505000     0.9383000     ?             ?      
1 1 1 52 15 2  o -0.3244000E-01 0.9433000     ?             ?      
1 1 1 52 15 3  o -1.253000      0.9492000     ?             ?      
1 1 1 52 15 4  o -0.7798000     0.9516000     ?             ?      
1 1 1 52 15 5  o 0.1659000E-01  1.092000      ?             ?      
1 1 1 52 15 6  o 2.571000       1.444000      ?             ?      
1 1 1 52 15 7  o 0.8913000      2.299000      ?             ?      
1 1 1 52 15 8  o -1.973000      1.177000      ?             ?      
1 1 1 52 15 9  o -0.3267000     1.215000      ?             ?      
1 1 1 52 15 10 o -3.216000      1.190000      ?             ?      
1 1 1 52 15 11 o 0.1963000      1.300000      ?             ?      
1 1 1 52 15 12 o -0.8292000     1.417000      ?             ?      
1 1 1 52 15 13 o -1.767000      2.040000      ?             ?      
1 1 1 52 15 14 o 0.6781000      1.364000      ?             ?      
1 1 1 52 15 15 o 0.9148000E-01  1.224000      ?             ?      
1 1 1 52 15 16 o 0.6377000      1.280000      ?             ?      
1 1 1 52 15 17 o -0.4516000     1.267000      ?             ?      
1 1 1 52 15 18 o 0.3557000      1.143000      ?             ?      
1 1 1 52 15 19 o 0.6798000      1.191000      ?             ?      
1 1 1 52 15 20 f -0.5619000     1.206000      ?             ?      
1 1 1 52 15 21 o 3.647000       1.465000      ?             ?      
1 1 1 52 15 22 < 0.000000       -1.000000     ?             ?      
1 1 1 52 16 0  o -0.2561000     1.335000      ?             ?      
1 1 1 52 16 1  o -0.4231000     0.9439000     ?             ?      
1 1 1 52 16 2  o -2.120000      0.9468000     ?             ?      
1 1 1 52 16 3  o -0.8174000     1.106000      ?             ?      
1 1 1 52 16 4  o -0.1338000     1.085000      ?             ?      
1 1 1 52 16 5  o 0.7244000      1.037000      ?             ?      
1 1 1 52 16 6  o -0.3615000     1.070000      ?             ?      
1 1 1 52 16 7  o -0.1729000     1.038000      ?             ?      
1 1 1 52 16 8  o -0.5566000     1.205000      ?             ?      
1 1 1 52 16 9  o -0.8682000     1.982000      ?             ?      
1 1 1 52 16 10 o -0.6456000     1.538000      ?             ?      
1 1 1 52 16 11 o -1.045000      1.416000      ?             ?      
1 1 1 52 16 12 o -3.463000      1.931000      ?             ?      
1 1 1 52 16 13 o 0.1247000      1.235000      ?             ?      
1 1 1 52 16 14 o -0.5838000     1.230000      ?             ?      
1 1 1 52 16 15 o 0.9216000      1.438000      ?             ?      
1 1 1 52 16 16 o -0.5646000     1.271000      ?             ?      
1 1 1 52 16 17 o -0.4978000     1.273000      ?             ?      
1 1 1 52 16 18 o -0.9304000     1.204000      ?             ?      
1 1 1 52 16 19 o -6.804000      3.953000      ?             ?      
1 1 1 52 16 20 o 0.2722000      1.472000      ?             ?      
1 1 1 52 16 21 < 0.000000       -1.000000     ?             ?      
1 1 1 52 17 0  o -1.148000      1.354000      ?             ?      
1 1 1 52 17 1  o -0.3437000     1.083000      ?             ?      
1 1 1 52 17 2  o -1.209000      1.106000      ?             ?      
1 1 1 52 17 3  o -0.1633000     1.076000      ?             ?      
1 1 1 52 17 4  o -1.217000      1.079000      ?             ?      
1 1 1 52 17 5  o 0.9991000      1.045000      ?             ?      
1 1 1 52 17 6  o -0.8374000     1.197000      ?             ?      
1 1 1 52 17 7  o -0.1026000E-01 1.217000      ?             ?      
1 1 1 52 17 8  o -2.137000      1.233000      ?             ?      
1 1 1 52 17 9  o -0.2734000     1.284000      ?             ?      
1 1 1 52 17 10 o 1.373000       1.298000      ?             ?      
1 1 1 52 17 11 o 0.7698000      1.219000      ?             ?      
1 1 1 52 17 12 o -2.567000      1.199000      ?             ?      
1 1 1 52 17 13 o -0.6436000     1.233000      ?             ?      
1 1 1 52 17 14 o -0.5624000     1.167000      ?             ?      
1 1 1 52 17 15 o -0.1122000E-02 1.322000      ?             ?      
1 1 1 52 17 16 o -0.2493000     1.297000      ?             ?      
1 1 1 52 17 17 o -1.180000      1.540000      ?             ?      
1 1 1 52 17 18 o -0.1004000     1.554000      ?             ?      
1 1 1 52 17 19 o 2.244000       1.466000      ?             ?      
1 1 1 52 17 20 < 0.000000       -1.000000     ?             ?      
1 1 1 52 18 0  o 0.7089000      1.730000      ?             ?      
1 1 1 52 18 1  o -0.2299000     1.215000      ?             ?      
1 1 1 52 18 2  o -0.3267000     1.091000      ?             ?      
1 1 1 52 18 3  o -0.1612000     1.209000      ?             ?      
1 1 1 52 18 4  o -0.5515000     1.218000      ?             ?      
1 1 1 52 18 5  o 0.7954000      1.226000      ?             ?      
1 1 1 52 18 6  o -0.6061000E-01 1.054000      ?             ?      
1 1 1 52 18 7  o -0.3671000     1.065000      ?             ?      
1 1 1 52 18 8  o -1.871000      1.216000      ?             ?      
1 1 1 52 18 9  o 0.5937000      1.227000      ?             ?      
1 1 1 52 18 10 o 0.8947000      1.631000      ?             ?      
1 1 1 52 18 11 o -2.008000      1.202000      ?             ?      
1 1 1 52 18 12 o 0.1500000      1.234000      ?             ?      
1 1 1 52 18 13 o -1.538000      1.152000      ?             ?      
1 1 1 52 18 14 o -1.351000      1.321000      ?             ?      
1 1 1 52 18 15 f -1.110000      1.278000      ?             ?      
1 1 1 52 18 16 o -1.330000      1.352000      ?             ?      
1 1 1 52 18 17 o 0.3316000      2.065000      ?             ?      
1 1 1 52 18 18 o -0.9002000     2.153000      ?             ?      
1 1 1 52 19 0  o 0.9683000      1.766000      ?             ?      
1 1 1 52 19 1  o -0.6451000     1.244000      ?             ?      
1 1 1 52 19 2  o -0.1362000     1.218000      ?             ?      
1 1 1 52 19 3  o -0.5509000     1.174000      ?             ?      
1 1 1 52 19 4  o -1.787000      1.170000      ?             ?      
1 1 1 52 19 5  o -0.2365000     1.241000      ?             ?      
1 1 1 52 19 6  o -0.2875000     1.031000      ?             ?      
1 1 1 52 19 7  o 0.2527000      1.213000      ?             ?      
1 1 1 52 19 8  o -1.736000      1.211000      ?             ?      
1 1 1 52 19 9  o 0.4893000      1.085000      ?             ?      
1 1 1 52 19 10 f -0.9444000     1.099000      ?             ?      
1 1 1 52 19 11 o -0.5428000     1.188000      ?             ?      
1 1 1 52 19 12 o -0.4778000     1.330000      ?             ?      
1 1 1 52 19 13 o -1.113000      1.140000      ?             ?      
1 1 1 52 19 14 o 2.308000       1.440000      ?             ?      
1 1 1 52 19 15 o -0.7136000     3.981000      ?             ?      
1 1 1 52 19 16 o -1.558000      2.676000      ?             ?      
1 1 1 52 19 17 o -0.3297000     1.876000      ?             ?      
1 1 1 52 20 0  o -2.341000      2.198000      ?             ?      
1 1 1 52 20 1  o -0.6448000     1.228000      ?             ?      
1 1 1 52 20 2  o 0.6587000      1.162000      ?             ?      
1 1 1 52 20 3  o 2.813000       1.754000      ?             ?      
1 1 1 52 20 4  o -0.6080000     1.247000      ?             ?      
1 1 1 52 20 5  o 1.224000       1.252000      ?             ?      
1 1 1 52 20 6  o -0.2884000     1.272000      ?             ?      
1 1 1 52 20 7  o -1.404000      1.385000      ?             ?      
1 1 1 52 20 8  o -1.660000      1.258000      ?             ?      
1 1 1 52 20 9  o -0.6203000     1.258000      ?             ?      
1 1 1 52 20 10 o 0.6036000      1.195000      ?             ?      
1 1 1 52 20 11 o 1.842000       1.261000      ?             ?      
1 1 1 52 20 12 o -0.4587000     1.200000      ?             ?      
1 1 1 52 20 13 o -0.3254000     1.193000      ?             ?      
1 1 1 52 20 14 o -1.680000      2.234000      ?             ?      
1 1 1 52 20 15 o 0.5922000      2.151000      ?             ?      
1 1 1 52 20 16 < 0.000000       -1.000000     ?             ?      
1 1 1 52 21 0  o 0.4926000      1.600000      ?             ?      
1 1 1 52 21 1  o -1.939000      1.367000      ?             ?      
1 1 1 52 21 2  o 0.1037000      1.173000      ?             ?      
1 1 1 52 21 3  o 0.2644000      1.186000      ?             ?      
1 1 1 52 21 4  o 0.3050000      1.264000      ?             ?      
1 1 1 52 21 5  o -0.8168000     1.269000      ?             ?      
1 1 1 52 21 6  o 0.4094000      1.615000      ?             ?      
1 1 1 52 21 7  o -0.4072000     1.352000      ?             ?      
1 1 1 52 21 8  o 1.365000       1.275000      ?             ?      
1 1 1 52 21 9  o -1.452000      1.355000      ?             ?      
1 1 1 52 21 10 o 0.6079000      1.563000      ?             ?      
1 1 1 52 21 11 o -3.019000      2.225000      ?             ?      
1 1 1 52 21 12 o -0.9055000     1.424000      ?             ?      
1 1 1 52 21 13 o -0.7826000     1.486000      ?             ?      
1 1 1 52 21 14 < 0.000000       -1.000000     ?             ?      
1 1 1 52 22 0  o 0.2804000      1.602000      ?             ?      
1 1 1 52 22 1  o -1.358000      1.124000      ?             ?      
1 1 1 52 22 2  o -1.513000      1.128000      ?             ?      
1 1 1 52 22 3  o 0.2781000      1.192000      ?             ?      
1 1 1 52 22 4  o -0.7306000     1.303000      ?             ?      
1 1 1 52 22 5  o -1.620000      1.216000      ?             ?      
1 1 1 52 22 6  o -0.2929000     1.590000      ?             ?      
1 1 1 52 22 7  o 1.905000       1.619000      ?             ?      
1 1 1 52 22 8  o -1.003000      1.352000      ?             ?      
1 1 1 52 22 9  o 0.5511000      1.463000      ?             ?      
1 1 1 52 22 10 o -0.6708000     2.424000      ?             ?      
1 1 1 52 22 11 o -2.403000      1.967000      ?             ?      
1 1 1 52 22 12 o -0.6502000     2.363000      ?             ?      
1 1 1 52 23 0  o -1.614000      1.764000      ?             ?      
1 1 1 52 23 1  o -1.635000      1.725000      ?             ?      
1 1 1 52 23 2  o 0.1698000E-01  1.232000      ?             ?      
1 1 1 52 23 3  o -1.003000      1.212000      ?             ?      
1 1 1 52 23 4  o -0.4760000     1.118000      ?             ?      
1 1 1 52 23 5  o -1.019000      1.314000      ?             ?      
1 1 1 52 23 6  o -1.531000      1.334000      ?             ?      
1 1 1 52 23 7  o 1.186000       1.824000      ?             ?      
1 1 1 52 23 8  o -1.290000      2.007000      ?             ?      
1 1 1 52 24 0  o -1.756000      2.617000      ?             ?      
1 1 1 52 24 1  o -2.406000      1.836000      ?             ?      
1 1 1 52 24 2  o -2.032000      1.816000      ?             ?      
1 1 1 52 24 3  o -3.704000      2.417000      ?             ?      
1 1 1 52 24 4  o -0.1455000     2.474000      ?             ?      
1 1 1 53 0  1  o 0.4217000      1.537000      ?             ?      
1 1 1 53 0  2  o 0.2065000      1.530000      ?             ?      
1 1 1 53 0  3  o 0.2850000      1.530000      ?             ?      
1 1 1 53 0  4  o 0.2893000      1.567000      ?             ?      
1 1 1 53 0  5  o -1.686000      1.611000      ?             ?      
1 1 1 53 0  6  o -0.2546000     1.621000      ?             ?      
1 1 1 53 0  7  o -0.7499000     1.637000      ?             ?      
1 1 1 53 0  8  o -1.254000      2.095000      ?             ?      
1 1 1 53 0  9  o -2.202000      2.126000      ?             ?      
1 1 1 53 0  10 o -3.370000      4.216000      ?             ?      
1 1 1 53 0  11 o -3.437000      4.207000      ?             ?      
1 1 1 53 0  12 o 1.584000       2.134000      ?             ?      
1 1 1 53 0  13 o -0.7705000     1.814000      ?             ?      
1 1 1 53 0  14 o -1.660000      1.778000      ?             ?      
1 1 1 53 0  15 o 0.2921000      1.766000      ?             ?      
1 1 1 53 0  16 o -1.385000      1.531000      ?             ?      
1 1 1 53 0  17 o 1.802000       1.522000      ?             ?      
1 1 1 53 0  18 o -0.6409000     1.512000      ?             ?      
1 1 1 53 0  19 o 1.163000       1.354000      ?             ?      
1 1 1 53 0  20 o 0.2535000      1.344000      ?             ?      
1 1 1 53 0  21 o 1.315000       1.352000      ?             ?      
1 1 1 53 0  22 o -1.514000      1.350000      ?             ?      
1 1 1 53 0  23 o -0.7880000     1.725000      ?             ?      
1 1 1 53 1  0  o 0.2926000      1.522000      ?             ?      
1 1 1 53 1  1  o -0.2722000     1.072000      ?             ?      
1 1 1 53 1  2  o -1.307000      1.050000      ?             ?      
1 1 1 53 1  3  o -0.5133000     1.081000      ?             ?      
1 1 1 53 1  4  o -0.5241000     1.097000      ?             ?      
1 1 1 53 1  5  o -1.065000      1.598000      ?             ?      
1 1 1 53 1  6  o -0.5698000     1.132000      ?             ?      
1 1 1 53 1  7  o -0.9557000     1.167000      ?             ?      
1 1 1 53 1  8  o -2.707000      1.492000      ?             ?      
1 1 1 53 1  9  o -1.064000      2.406000      ?             ?      
1 1 1 53 1  10 o 2.360000       2.315000      ?             ?      
1 1 1 53 1  11 o -1.520000      2.907000      ?             ?      
1 1 1 53 1  12 o -1.418000      1.416000      ?             ?      
1 1 1 53 1  13 o -0.7881000     1.387000      ?             ?      
1 1 1 53 1  14 o -0.3934000     1.255000      ?             ?      
1 1 1 53 1  15 o 1.423000       1.254000      ?             ?      
1 1 1 53 1  16 o -0.4268000E-01 1.162000      ?             ?      
1 1 1 53 1  17 o 0.1401000      1.065000      ?             ?      
1 1 1 53 1  18 o -1.308000      1.502000      ?             ?      
1 1 1 53 1  19 o -0.6646000     1.007000      ?             ?      
1 1 1 53 1  20 o -0.8521000     0.9616000     ?             ?      
1 1 1 53 1  21 o -1.790000      1.334000      ?             ?      
1 1 1 53 1  22 o -0.9725000     0.9521000     ?             ?      
1 1 1 53 1  23 o -0.5042000     1.896000      ?             ?      
1 1 1 53 1  24 < 0.000000       -1.000000     ?             ?      
1 1 1 53 2  0  o -1.302000      1.525000      ?             ?      
1 1 1 53 2  1  o 0.3288000      1.088000      ?             ?      
1 1 1 53 2  2  o -3.208000      1.082000      ?             ?      
1 1 1 53 2  3  o -1.367000      1.065000      ?             ?      
1 1 1 53 2  4  o -1.495000      1.588000      ?             ?      
1 1 1 53 2  5  o 0.6341000      1.129000      ?             ?      
1 1 1 53 2  6  o -1.851000      1.137000      ?             ?      
1 1 1 53 2  7  o -0.7331000     1.160000      ?             ?      
1 1 1 53 2  8  o -1.129000      4.217000      ?             ?      
1 1 1 53 2  9  o -2.181000      2.334000      ?             ?      
1 1 1 53 2  10 o -1.230000      2.337000      ?             ?      
1 1 1 53 2  11 o 0.7668000      1.427000      ?             ?      
1 1 1 53 2  12 o -4.546000      1.401000      ?             ?      
1 1 1 53 2  13 o 0.6645000      1.399000      ?             ?      
1 1 1 53 2  14 o 0.8095000      1.276000      ?             ?      
1 1 1 53 2  15 o 1.089000       1.257000      ?             ?      
1 1 1 53 2  16 o 0.1106000E-01  1.167000      ?             ?      
1 1 1 53 2  17 o 0.1474000      1.067000      ?             ?      
1 1 1 53 2  18 o -1.037000      1.012000      ?             ?      
1 1 1 53 2  19 o -0.2140000     1.011000      ?             ?      
1 1 1 53 2  20 o -0.1003000     1.007000      ?             ?      
1 1 1 53 2  21 o 0.6076000      0.9552000     ?             ?      
1 1 1 53 2  22 o 1.787000       0.9795000     ?             ?      
1 1 1 53 2  23 o 2.453000       1.510000      ?             ?      
1 1 1 53 2  24 < 0.000000       -1.000000     ?             ?      
1 1 1 53 3  0  o 1.273000       1.548000      ?             ?      
1 1 1 53 3  1  o -0.6999000     1.079000      ?             ?      
1 1 1 53 3  2  o -0.9514000     1.108000      ?             ?      
1 1 1 53 3  3  o -1.294000      1.107000      ?             ?      
1 1 1 53 3  4  o 0.5235000      1.108000      ?             ?      
1 1 1 53 3  5  o -1.172000      1.139000      ?             ?      
1 1 1 53 3  6  o -0.5658000     1.143000      ?             ?      
1 1 1 53 3  7  o -2.776000      1.529000      ?             ?      
1 1 1 53 3  8  o -3.009000      1.562000      ?             ?      
1 1 1 53 3  9  o -0.2684000     2.394000      ?             ?      
1 1 1 53 3  10 o -2.258000      1.710000      ?             ?      
1 1 1 53 3  11 o -1.503000      1.399000      ?             ?      
1 1 1 53 3  12 o -3.408000      1.822000      ?             ?      
1 1 1 53 3  13 o -1.501000      1.373000      ?             ?      
1 1 1 53 3  14 o 1.537000       1.805000      ?             ?      
1 1 1 53 3  15 o -0.5979000     1.266000      ?             ?      
1 1 1 53 3  16 o -1.193000      1.178000      ?             ?      
1 1 1 53 3  17 o -1.187000      1.005000      ?             ?      
1 1 1 53 3  18 o 0.2485000      1.001000      ?             ?      
1 1 1 53 3  19 o 1.057000       1.007000      ?             ?      
1 1 1 53 3  20 o 0.7498000      1.009000      ?             ?      
1 1 1 53 3  21 o 0.3539000      0.9617000     ?             ?      
1 1 1 53 3  22 o -0.3509000E-01 1.942000      ?             ?      
1 1 1 53 3  23 o -2.964000      1.443000      ?             ?      
1 1 1 53 4  0  o 0.6003000      1.531000      ?             ?      
1 1 1 53 4  1  o 0.6684000      1.083000      ?             ?      
1 1 1 53 4  2  o -0.4889000     1.107000      ?             ?      
1 1 1 53 4  3  o 0.2462000E-01  1.139000      ?             ?      
1 1 1 53 4  4  o 0.3553000      1.118000      ?             ?      
1 1 1 53 4  5  o 0.2337000      1.361000      ?             ?      
1 1 1 53 4  6  o 0.4849000      1.393000      ?             ?      
1 1 1 53 4  7  o -0.9398000     1.537000      ?             ?      
1 1 1 53 4  8  o -0.6667000     1.581000      ?             ?      
1 1 1 53 4  9  o -1.143000      1.718000      ?             ?      
1 1 1 53 4  10 o -4.577000      2.729000      ?             ?      
1 1 1 53 4  11 o -0.7549000     1.233000      ?             ?      
1 1 1 53 4  12 o -0.5185000     1.223000      ?             ?      
1 1 1 53 4  13 o -0.8031000     1.211000      ?             ?      
1 1 1 53 4  14 o 0.5408000      1.390000      ?             ?      
1 1 1 53 4  15 o -0.3228000     1.368000      ?             ?      
1 1 1 53 4  16 o 0.1425000      1.112000      ?             ?      
1 1 1 53 4  17 o -0.3016000     1.012000      ?             ?      
1 1 1 53 4  18 o 0.4376000      1.009000      ?             ?      
1 1 1 53 4  19 o -0.4999000     1.003000      ?             ?      
1 1 1 53 4  20 o 0.1620000      1.010000      ?             ?      
1 1 1 53 4  21 o 0.6539000      1.444000      ?             ?      
1 1 1 53 4  22 o 0.2273000      1.498000      ?             ?      
1 1 1 53 4  23 f -0.5299000     1.439000      ?             ?      
1 1 1 53 5  0  o -0.7206000     1.511000      ?             ?      
1 1 1 53 5  1  o -0.1634000E-01 1.329000      ?             ?      
1 1 1 53 5  2  o -0.5233000     1.326000      ?             ?      
1 1 1 53 5  3  o -1.556000      1.372000      ?             ?      
1 1 1 53 5  4  o 1.509000       1.365000      ?             ?      
1 1 1 53 5  5  o 1.779000       1.381000      ?             ?      
1 1 1 53 5  6  o -1.517000      2.298000      ?             ?      
1 1 1 53 5  7  o -1.701000      1.530000      ?             ?      
1 1 1 53 5  8  o 1.871000       1.720000      ?             ?      
1 1 1 53 5  9  o -1.013000      1.701000      ?             ?      
1 1 1 53 5  10 o -0.2234000     1.711000      ?             ?      
1 1 1 53 5  11 o 0.7704000      1.236000      ?             ?      
1 1 1 53 5  12 o -0.2993000     1.230000      ?             ?      
1 1 1 53 5  13 o -1.217000      1.220000      ?             ?      
1 1 1 53 5  14 o -1.798000      1.213000      ?             ?      
1 1 1 53 5  15 o 3.488000       1.307000      ?             ?      
1 1 1 53 5  16 o -0.6871000     1.217000      ?             ?      
1 1 1 53 5  17 o -0.4762000     1.002000      ?             ?      
1 1 1 53 5  18 o 0.2731000      1.005000      ?             ?      
1 1 1 53 5  19 o -1.665000      1.048000      ?             ?      
1 1 1 53 5  20 o -0.1000000     1.068000      ?             ?      
1 1 1 53 5  21 o 0.6590000      1.133000      ?             ?      
1 1 1 53 5  22 o -0.8004000     1.449000      ?             ?      
1 1 1 53 5  23 o 1.309000       1.798000      ?             ?      
1 1 1 53 6  0  o -0.7214000     1.562000      ?             ?      
1 1 1 53 6  1  o 0.7301000      1.351000      ?             ?      
1 1 1 53 6  2  o 0.3218000      1.385000      ?             ?      
1 1 1 53 6  3  o -2.303000      1.391000      ?             ?      
1 1 1 53 6  4  o 1.819000       1.375000      ?             ?      
1 1 1 53 6  5  o -0.6906000     1.518000      ?             ?      
1 1 1 53 6  6  o -2.427000      1.516000      ?             ?      
1 1 1 53 6  7  o -1.690000      1.438000      ?             ?      
1 1 1 53 6  8  o -1.168000      1.711000      ?             ?      
1 1 1 53 6  9  o -3.075000      1.712000      ?             ?      
1 1 1 53 6  10 o -3.426000      1.697000      ?             ?      
1 1 1 53 6  11 o -0.9159000     1.220000      ?             ?      
1 1 1 53 6  12 o -2.023000      1.214000      ?             ?      
1 1 1 53 6  13 o -0.6532000     1.219000      ?             ?      
1 1 1 53 6  14 o 0.3836000      1.127000      ?             ?      
1 1 1 53 6  15 o 0.6358000      1.243000      ?             ?      
1 1 1 53 6  16 o -0.5478000E-01 1.215000      ?             ?      
1 1 1 53 6  17 o 0.6901000      1.062000      ?             ?      
1 1 1 53 6  18 o 2.468000       1.062000      ?             ?      
1 1 1 53 6  19 o -0.6526000     1.011000      ?             ?      
1 1 1 53 6  20 o 0.2911000      1.027000      ?             ?      
1 1 1 53 6  21 o -1.949000      1.122000      ?             ?      
1 1 1 53 6  22 o 0.4052000      1.463000      ?             ?      
1 1 1 53 6  23 < 0.000000       -1.000000     ?             ?      
1 1 1 53 7  0  o 2.969000       2.194000      ?             ?      
1 1 1 53 7  1  o 2.009000       1.345000      ?             ?      
1 1 1 53 7  2  o 1.207000       2.263000      ?             ?      
1 1 1 53 7  3  o -0.7731000     1.644000      ?             ?      
1 1 1 53 7  4  o -0.6247000     1.566000      ?             ?      
1 1 1 53 7  5  o 2.353000       1.556000      ?             ?      
1 1 1 53 7  6  o -1.422000      1.392000      ?             ?      
1 1 1 53 7  7  o 0.6111000      1.402000      ?             ?      
1 1 1 53 7  8  o -0.7081000     1.694000      ?             ?      
1 1 1 53 7  9  o -2.918000      1.595000      ?             ?      
1 1 1 53 7  10 o 0.6957000      1.610000      ?             ?      
1 1 1 53 7  11 o -0.3565000E-01 1.241000      ?             ?      
1 1 1 53 7  12 o -0.7600000     1.440000      ?             ?      
1 1 1 53 7  13 o 1.591000       1.561000      ?             ?      
1 1 1 53 7  14 o -1.043000      1.108000      ?             ?      
1 1 1 53 7  15 o 0.6726000      1.060000      ?             ?      
1 1 1 53 7  16 o -1.371000      1.053000      ?             ?      
1 1 1 53 7  17 o -0.2497000     1.054000      ?             ?      
1 1 1 53 7  18 o -0.2766000     1.007000      ?             ?      
1 1 1 53 7  19 o -0.6180000     1.011000      ?             ?      
1 1 1 53 7  20 o 0.7358000      1.472000      ?             ?      
1 1 1 53 7  21 o -0.2635000     1.454000      ?             ?      
1 1 1 53 7  22 o -1.479000      1.448000      ?             ?      
1 1 1 53 8  0  o 0.9571000      2.174000      ?             ?      
1 1 1 53 8  1  o -0.3226000     1.657000      ?             ?      
1 1 1 53 8  2  o -0.5172000     1.654000      ?             ?      
1 1 1 53 8  3  o -0.7604000     1.655000      ?             ?      
1 1 1 53 8  4  o -0.4072000     1.563000      ?             ?      
1 1 1 53 8  5  o -1.015000      1.402000      ?             ?      
1 1 1 53 8  6  o -1.651000      1.390000      ?             ?      
1 1 1 53 8  7  o -0.4910000     1.397000      ?             ?      
1 1 1 53 8  8  o -1.034000      1.720000      ?             ?      
1 1 1 53 8  9  o -0.6146000     1.606000      ?             ?      
1 1 1 53 8  10 o -0.5043000     1.458000      ?             ?      
1 1 1 53 8  11 o -1.176000      1.401000      ?             ?      
1 1 1 53 8  12 o 0.8856000E-01  1.229000      ?             ?      
1 1 1 53 8  13 o -0.7078000     1.098000      ?             ?      
1 1 1 53 8  14 o 0.1816000      1.531000      ?             ?      
1 1 1 53 8  15 o 0.6600000      1.048000      ?             ?      
1 1 1 53 8  16 o -0.6511000     1.067000      ?             ?      
1 1 1 53 8  17 o 1.133000       1.068000      ?             ?      
1 1 1 53 8  18 o -0.7960000     1.064000      ?             ?      
1 1 1 53 8  19 o 0.9351000      1.049000      ?             ?      
1 1 1 53 8  20 o -1.118000      1.133000      ?             ?      
1 1 1 53 8  21 o 1.988000       1.440000      ?             ?      
1 1 1 53 8  22 < 0.000000       -1.000000     ?             ?      
1 1 1 53 9  0  o -3.637000      2.195000      ?             ?      
1 1 1 53 9  1  o 2.392000       1.709000      ?             ?      
1 1 1 53 9  2  o 1.077000       1.686000      ?             ?      
1 1 1 53 9  3  o -1.038000      1.684000      ?             ?      
1 1 1 53 9  4  o 0.6200000      1.429000      ?             ?      
1 1 1 53 9  5  o 0.3189000      1.432000      ?             ?      
1 1 1 53 9  6  o -2.072000      1.402000      ?             ?      
1 1 1 53 9  7  o -1.507000      2.024000      ?             ?      
1 1 1 53 9  8  o 0.1147000      1.806000      ?             ?      
1 1 1 53 9  9  o 0.5699000      1.618000      ?             ?      
1 1 1 53 9  10 o -1.835000      1.868000      ?             ?      
1 1 1 53 9  11 o -1.261000      1.225000      ?             ?      
1 1 1 53 9  12 o 0.4073000      1.108000      ?             ?      
1 1 1 53 9  13 o -0.2758000     1.097000      ?             ?      
1 1 1 53 9  14 o -0.1487000     1.098000      ?             ?      
1 1 1 53 9  15 o 0.2476000      1.057000      ?             ?      
1 1 1 53 9  16 o -1.386000      1.054000      ?             ?      
1 1 1 53 9  17 o -1.898000      0.9707000     ?             ?      
1 1 1 53 9  18 o 0.7608000      1.069000      ?             ?      
1 1 1 53 9  19 o -0.3480000     1.152000      ?             ?      
1 1 1 53 9  20 o -1.731000      2.529000      ?             ?      
1 1 1 53 9  21 o 1.410000       1.469000      ?             ?      
1 1 1 53 10 0  o 3.787000       2.690000      ?             ?      
1 1 1 53 10 1  o 0.1499000      1.736000      ?             ?      
1 1 1 53 10 2  o -0.4945000E-01 1.582000      ?             ?      
1 1 1 53 10 3  o -1.290000      1.565000      ?             ?      
1 1 1 53 10 4  o -0.6199000     1.441000      ?             ?      
1 1 1 53 10 5  o -1.426000      2.397000      ?             ?      
1 1 1 53 10 6  o -0.4894000     2.244000      ?             ?      
1 1 1 53 10 7  o -0.9428000     1.703000      ?             ?      
1 1 1 53 10 8  o 1.159000       1.612000      ?             ?      
1 1 1 53 10 9  o -3.534000      1.597000      ?             ?      
1 1 1 53 10 10 o -1.185000      1.110000      ?             ?      
1 1 1 53 10 11 o 0.2824000      1.107000      ?             ?      
1 1 1 53 10 12 o -1.398000      1.087000      ?             ?      
1 1 1 53 10 13 o 0.1434000      1.103000      ?             ?      
1 1 1 53 10 14 o -0.4746000     1.056000      ?             ?      
1 1 1 53 10 15 o 0.8431000      1.064000      ?             ?      
1 1 1 53 10 16 o -0.5724000     0.9782000     ?             ?      
1 1 1 53 10 17 o 0.2582000E-01  0.9706000     ?             ?      
1 1 1 53 10 18 o -1.054000      1.007000      ?             ?      
1 1 1 53 10 19 o 0.6114000      1.191000      ?             ?      
1 1 1 53 10 20 o -4.031000      1.452000      ?             ?      
1 1 1 53 10 21 < 0.000000       -1.000000     ?             ?      
1 1 1 53 11 0  o 2.108000       2.111000      ?             ?      
1 1 1 53 11 1  o 0.8535000      1.429000      ?             ?      
1 1 1 53 11 2  o 1.751000       1.921000      ?             ?      
1 1 1 53 11 3  o -4.485000      1.916000      ?             ?      
1 1 1 53 11 4  o -0.8208000     1.341000      ?             ?      
1 1 1 53 11 5  o -1.165000      1.320000      ?             ?      
1 1 1 53 11 6  o -2.098000      1.343000      ?             ?      
1 1 1 53 11 7  o -2.158000      1.605000      ?             ?      
1 1 1 53 11 8  o -1.564000      1.613000      ?             ?      
1 1 1 53 11 9  o -0.6214000     1.248000      ?             ?      
1 1 1 53 11 10 o -0.6645000     1.107000      ?             ?      
1 1 1 53 11 11 o -0.4788000     1.110000      ?             ?      
1 1 1 53 11 12 o -1.582000      1.103000      ?             ?      
1 1 1 53 11 13 o -0.2854000     1.096000      ?             ?      
1 1 1 53 11 14 o 0.5570000      1.061000      ?             ?      
1 1 1 53 11 15 o -1.811000      1.055000      ?             ?      
1 1 1 53 11 16 o -0.7292000     0.9718000     ?             ?      
1 1 1 53 11 17 o -0.2650000     0.9881000     ?             ?      
1 1 1 53 11 18 o 0.3151000      1.118000      ?             ?      
1 1 1 53 11 19 o 0.5246000      1.465000      ?             ?      
1 1 1 53 11 20 o 0.7524000      2.634000      ?             ?      
1 1 1 53 12 0  o 0.6447000      3.248000      ?             ?      
1 1 1 53 12 1  o -1.316000      1.503000      ?             ?      
1 1 1 53 12 2  o -0.2810000E-01 1.394000      ?             ?      
1 1 1 53 12 3  o -1.220000      1.382000      ?             ?      
1 1 1 53 12 4  o 0.9919000      1.989000      ?             ?      
1 1 1 53 12 5  o -1.742000      1.322000      ?             ?      
1 1 1 53 12 6  o -0.4661000     1.265000      ?             ?      
1 1 1 53 12 7  o 0.1462000      1.603000      ?             ?      
1 1 1 53 12 8  o -0.2948000     1.246000      ?             ?      
1 1 1 53 12 9  o -0.5128000E-01 1.101000      ?             ?      
1 1 1 53 12 10 o -1.784000      1.082000      ?             ?      
1 1 1 53 12 11 o -2.293000      1.115000      ?             ?      
1 1 1 53 12 12 o -0.1143000     1.115000      ?             ?      
1 1 1 53 12 13 o -0.5073000     1.103000      ?             ?      
1 1 1 53 12 14 o -0.6123000     1.063000      ?             ?      
1 1 1 53 12 15 o -0.4059000     1.051000      ?             ?      
1 1 1 53 12 16 o 0.1424000      0.9791000     ?             ?      
1 1 1 53 12 17 o 0.5147000      1.104000      ?             ?      
1 1 1 53 12 18 o 0.6750000      1.569000      ?             ?      
1 1 1 53 12 19 o 0.4641000      1.933000      ?             ?      
1 1 1 53 13 0  o 0.5384000      2.069000      ?             ?      
1 1 1 53 13 1  o -0.6410000     1.471000      ?             ?      
1 1 1 53 13 2  o 1.107000       1.891000      ?             ?      
1 1 1 53 13 3  o 0.8101000      1.694000      ?             ?      
1 1 1 53 13 4  o 0.2398000      1.344000      ?             ?      
1 1 1 53 13 5  o -0.9121000E-01 1.369000      ?             ?      
1 1 1 53 13 6  f -1.685000      1.314000      ?             ?      
1 1 1 53 13 7  o -0.4923000     1.221000      ?             ?      
1 1 1 53 13 8  o -1.467000      1.173000      ?             ?      
1 1 1 53 13 9  o 0.9972000      1.101000      ?             ?      
1 1 1 53 13 10 o -0.4303000     1.099000      ?             ?      
1 1 1 53 13 11 o 0.3147000      1.098000      ?             ?      
1 1 1 53 13 12 o 0.4053000      1.113000      ?             ?      
1 1 1 53 13 13 o -0.1781000     1.114000      ?             ?      
1 1 1 53 13 14 o 0.5713000      1.071000      ?             ?      
1 1 1 53 13 15 o -2.010000      1.060000      ?             ?      
1 1 1 53 13 16 o 0.9170000      1.098000      ?             ?      
1 1 1 53 13 17 o -1.468000      1.553000      ?             ?      
1 1 1 53 13 18 o -4.113000      2.577000      ?             ?      
1 1 1 53 13 19 < 0.000000       -1.000000     ?             ?      
1 1 1 53 14 0  o -0.2915000     2.086000      ?             ?      
1 1 1 53 14 1  o 1.726000       1.487000      ?             ?      
1 1 1 53 14 2  o -2.830000      1.482000      ?             ?      
1 1 1 53 14 3  o -3.259000      1.389000      ?             ?      
1 1 1 53 14 4  o -0.5648000     1.762000      ?             ?      
1 1 1 53 14 5  o -2.298000      1.827000      ?             ?      
1 1 1 53 14 6  o -0.9149000     1.176000      ?             ?      
1 1 1 53 14 7  o -0.8713000     1.176000      ?             ?      
1 1 1 53 14 8  o -0.4108000     1.215000      ?             ?      
1 1 1 53 14 9  o 0.2429000      1.093000      ?             ?      
1 1 1 53 14 10 o -0.7055000     1.178000      ?             ?      
1 1 1 53 14 11 o 0.6688000      1.109000      ?             ?      
1 1 1 53 14 12 o 0.7064000      1.243000      ?             ?      
1 1 1 53 14 13 o -0.5763000E-01 1.209000      ?             ?      
1 1 1 53 14 14 o -0.3098000E-01 1.089000      ?             ?      
1 1 1 53 14 15 o -0.4956000     1.063000      ?             ?      
1 1 1 53 14 16 o -0.6664000     1.151000      ?             ?      
1 1 1 53 14 17 o -0.3441000     1.566000      ?             ?      
1 1 1 53 14 18 < 0.000000       -1.000000     ?             ?      
1 1 1 53 15 0  o -0.1454000     2.110000      ?             ?      
1 1 1 53 15 1  o 0.5001000      1.478000      ?             ?      
1 1 1 53 15 2  o -0.3403000     1.487000      ?             ?      
1 1 1 53 15 3  o 1.006000       1.455000      ?             ?      
1 1 1 53 15 4  o -1.066000      1.252000      ?             ?      
1 1 1 53 15 5  o -0.1804000     1.099000      ?             ?      
1 1 1 53 15 6  o -1.867000      1.180000      ?             ?      
1 1 1 53 15 7  o -0.6123000     1.190000      ?             ?      
1 1 1 53 15 8  o 0.6620000      1.070000      ?             ?      
1 1 1 53 15 9  o -0.6045000     1.510000      ?             ?      
1 1 1 53 15 10 o -1.864000      1.144000      ?             ?      
1 1 1 53 15 11 o -0.6297000     1.191000      ?             ?      
1 1 1 53 15 12 o -0.9314000     1.551000      ?             ?      
1 1 1 53 15 13 o 0.7044000      1.193000      ?             ?      
1 1 1 53 15 14 o 0.3915000      1.007000      ?             ?      
1 1 1 53 15 15 o -0.4728000     1.130000      ?             ?      
1 1 1 53 15 16 o -1.993000      2.109000      ?             ?      
1 1 1 53 16 0  o 2.757000       2.102000      ?             ?      
1 1 1 53 16 1  o 1.054000       1.528000      ?             ?      
1 1 1 53 16 2  o -1.622000      1.315000      ?             ?      
1 1 1 53 16 3  o -0.6736000     1.222000      ?             ?      
1 1 1 53 16 4  o 0.1796000      1.217000      ?             ?      
1 1 1 53 16 5  o -1.279000      1.094000      ?             ?      
1 1 1 53 16 6  o -1.999000      1.189000      ?             ?      
1 1 1 53 16 7  o -1.470000      1.273000      ?             ?      
1 1 1 53 16 8  o -0.3802000     1.164000      ?             ?      
1 1 1 53 16 9  o 0.5160000      1.217000      ?             ?      
1 1 1 53 16 10 o 1.882000       1.954000      ?             ?      
1 1 1 53 16 11 o -1.202000      1.097000      ?             ?      
1 1 1 53 16 12 o 0.9003000      1.144000      ?             ?      
1 1 1 53 16 13 o -2.117000      1.743000      ?             ?      
1 1 1 53 16 14 o 0.3451000      1.265000      ?             ?      
1 1 1 53 16 15 o 0.7312000      1.825000      ?             ?      
1 1 1 53 17 0  o 0.3186000E-01  1.571000      ?             ?      
1 1 1 53 17 1  o 1.022000       1.343000      ?             ?      
1 1 1 53 17 2  o -0.5205000     1.426000      ?             ?      
1 1 1 53 17 3  o 0.1116000      1.220000      ?             ?      
1 1 1 53 17 4  o -1.088000      1.389000      ?             ?      
1 1 1 53 17 5  o -0.2914000     1.362000      ?             ?      
1 1 1 53 17 6  o -0.4032000     1.191000      ?             ?      
1 1 1 53 17 7  o 2.094000       1.215000      ?             ?      
1 1 1 53 17 8  o 0.8654000      1.113000      ?             ?      
1 1 1 53 17 9  o 0.7957000E-01  1.619000      ?             ?      
1 1 1 53 17 10 o -2.542000      1.093000      ?             ?      
1 1 1 53 17 11 o -0.8231000     1.157000      ?             ?      
1 1 1 53 17 12 o 1.270000       1.557000      ?             ?      
1 1 1 53 17 13 o 1.942000       2.139000      ?             ?      
1 1 1 53 17 14 o 1.899000       2.419000      ?             ?      
1 1 1 53 18 0  f 0.5785000E-02  1.585000      ?             ?      
1 1 1 53 18 1  o 1.679000       1.141000      ?             ?      
1 1 1 53 18 2  o 0.8457000      1.199000      ?             ?      
1 1 1 53 18 3  o 0.3623000      1.347000      ?             ?      
1 1 1 53 18 4  o 0.6601000      1.244000      ?             ?      
1 1 1 53 18 5  o -0.5548000     1.333000      ?             ?      
1 1 1 53 18 6  o -0.2061000     1.983000      ?             ?      
1 1 1 53 18 7  o 0.1033000      1.098000      ?             ?      
1 1 1 53 18 8  o -0.6625000     1.104000      ?             ?      
1 1 1 53 18 9  o -0.4187000     1.156000      ?             ?      
1 1 1 53 18 10 o -0.6342000     1.152000      ?             ?      
1 1 1 53 18 11 o 0.4528000      1.310000      ?             ?      
1 1 1 53 18 12 o -0.1121000     2.400000      ?             ?      
1 1 1 53 19 0  o -0.1262000E-01 1.805000      ?             ?      
1 1 1 53 19 1  o 1.942000       1.431000      ?             ?      
1 1 1 53 19 2  o 0.6808000      1.342000      ?             ?      
1 1 1 53 19 3  o -1.375000      1.126000      ?             ?      
1 1 1 53 19 4  o -0.2824000     1.101000      ?             ?      
1 1 1 53 19 5  o -0.1187000     1.432000      ?             ?      
1 1 1 53 19 6  o -0.9858000     1.321000      ?             ?      
1 1 1 53 19 7  o 1.876000       1.174000      ?             ?      
1 1 1 53 19 8  o 0.9809000      1.156000      ?             ?      
1 1 1 53 19 9  o -0.6989000     1.471000      ?             ?      
1 1 1 53 19 10 o -2.670000      2.401000      ?             ?      
1 1 1 53 20 0  o -0.9122000     1.630000      ?             ?      
1 1 1 53 20 1  o -3.948000      2.315000      ?             ?      
1 1 1 53 20 2  o -2.237000      1.423000      ?             ?      
1 1 1 53 20 3  o 0.8365000      1.208000      ?             ?      
1 1 1 53 20 4  o 0.9336000      1.555000      ?             ?      
1 1 1 53 20 5  < 0.000000       -1.000000     ?             ?      
1 1 1 53 20 6  o 5.597000       2.621000      ?             ?      
1 1 1 53 20 7  o -1.556000      2.455000      ?             ?      
1 1 1 54 0  0  o 0.4954000      2.495000      ?             ?      
1 1 1 54 0  1  o -1.579000      1.746000      ?             ?      
1 1 1 54 0  2  o 3.041000       1.761000      ?             ?      
1 1 1 54 0  3  o 1.550000       1.755000      ?             ?      
1 1 1 54 0  4  o -0.7845000     1.737000      ?             ?      
1 1 1 54 0  5  o -1.190000      1.866000      ?             ?      
1 1 1 54 0  6  o -1.995000      1.892000      ?             ?      
1 1 1 54 0  7  o -0.7454000     1.827000      ?             ?      
1 1 1 54 0  8  o 0.6964000      1.541000      ?             ?      
1 1 1 54 0  9  o 0.8168000      1.311000      ?             ?      
1 1 1 54 0  10 o -1.463000      1.298000      ?             ?      
1 1 1 54 0  11 o -0.8434000     1.290000      ?             ?      
1 1 1 54 0  12 o 0.9503000      1.313000      ?             ?      
1 1 1 54 0  13 f 1.724000       1.300000      ?             ?      
1 1 1 54 0  14 o -0.8013000     1.304000      ?             ?      
1 1 1 54 0  15 o -0.8596000     1.317000      ?             ?      
1 1 1 54 0  16 o 1.307000       1.331000      ?             ?      
1 1 1 54 0  17 o -0.5974000     1.348000      ?             ?      
1 1 1 54 0  18 o 1.763000       1.480000      ?             ?      
1 1 1 54 0  19 o -1.059000      2.490000      ?             ?      
1 1 1 54 1  0  o -0.9354000     1.756000      ?             ?      
1 1 1 54 1  1  o 0.3741000      1.235000      ?             ?      
1 1 1 54 1  2  o -1.511000      1.289000      ?             ?      
1 1 1 54 1  3  o -0.2875000     1.240000      ?             ?      
1 1 1 54 1  4  o -1.998000      1.727000      ?             ?      
1 1 1 54 1  5  o -0.7287000     1.883000      ?             ?      
1 1 1 54 1  6  o 0.6110000      1.327000      ?             ?      
1 1 1 54 1  7  o -0.4554000     1.214000      ?             ?      
1 1 1 54 1  8  o -0.3330000E-01 1.012000      ?             ?      
1 1 1 54 1  9  o 0.8140000      1.004000      ?             ?      
1 1 1 54 1  10 o 0.6721000      1.302000      ?             ?      
1 1 1 54 1  11 o 0.4933000      0.9190000     ?             ?      
1 1 1 54 1  12 o 0.1283000      0.9170000     ?             ?      
1 1 1 54 1  13 o -0.5905000     1.290000      ?             ?      
1 1 1 54 1  14 o 0.7232000E-01  0.9191000     ?             ?      
1 1 1 54 1  15 o 0.7060000      0.9259000     ?             ?      
1 1 1 54 1  16 o 1.093000       0.9406000     ?             ?      
1 1 1 54 1  17 o 0.8409000E-01  1.442000      ?             ?      
1 1 1 54 1  18 o 1.244000       1.047000      ?             ?      
1 1 1 54 1  19 o -1.397000      2.499000      ?             ?      
1 1 1 54 2  0  o 1.353000       1.766000      ?             ?      
1 1 1 54 2  1  o -0.4296000E-01 1.239000      ?             ?      
1 1 1 54 2  2  o -0.2116000     1.753000      ?             ?      
1 1 1 54 2  3  o 0.2390000      1.236000      ?             ?      
1 1 1 54 2  4  o -1.250000      1.280000      ?             ?      
1 1 1 54 2  5  o -1.412000      1.258000      ?             ?      
1 1 1 54 2  6  o 0.9011000      1.299000      ?             ?      
1 1 1 54 2  7  o 0.9745000      1.073000      ?             ?      
1 1 1 54 2  8  o 0.5280000      0.9785000     ?             ?      
1 1 1 54 2  9  o 0.7734000E-01  1.003000      ?             ?      
1 1 1 54 2  10 o -1.089000      0.9933000     ?             ?      
1 1 1 54 2  11 o 0.2171000      1.005000      ?             ?      
1 1 1 54 2  12 o 1.360000       0.9237000     ?             ?      
1 1 1 54 2  13 o 0.5605000      0.9305000     ?             ?      
1 1 1 54 2  14 o 0.3785000      0.9257000     ?             ?      
1 1 1 54 2  15 o -0.4156000     0.9283000     ?             ?      
1 1 1 54 2  16 o 1.345000       1.364000      ?             ?      
1 1 1 54 2  17 o 0.8430000      1.017000      ?             ?      
1 1 1 54 2  18 o 0.4931000      1.034000      ?             ?      
1 1 1 54 2  19 o -0.5827000E-01 2.476000      ?             ?      
1 1 1 54 3  0  o 0.2264000      1.771000      ?             ?      
1 1 1 54 3  1  o -0.8091000     1.243000      ?             ?      
1 1 1 54 3  2  o -0.7162000     1.235000      ?             ?      
1 1 1 54 3  3  o 2.041000       1.237000      ?             ?      
1 1 1 54 3  4  o -0.2407000     1.278000      ?             ?      
1 1 1 54 3  5  o -1.480000      1.167000      ?             ?      
1 1 1 54 3  6  o -0.9279000     1.056000      ?             ?      
1 1 1 54 3  7  o -0.4422000     1.040000      ?             ?      
1 1 1 54 3  8  o 2.198000       0.9944000     ?             ?      
1 1 1 54 3  9  o 0.3456000      0.9859000     ?             ?      
1 1 1 54 3  10 o 0.2369000      0.9904000     ?             ?      
1 1 1 54 3  11 o -0.6308000E-01 0.9967000     ?             ?      
1 1 1 54 3  12 o -0.3545000     0.9953000     ?             ?      
1 1 1 54 3  13 o 0.4816000      0.9268000     ?             ?      
1 1 1 54 3  14 o -0.7237000E-02 0.9333000     ?             ?      
1 1 1 54 3  15 o -1.761000      0.9356000     ?             ?      
1 1 1 54 3  16 o -0.4302000     0.9416000     ?             ?      
1 1 1 54 3  17 o 1.953000       1.464000      ?             ?      
1 1 1 54 3  18 o -1.116000      1.201000      ?             ?      
1 1 1 54 3  19 o 0.5769000      2.404000      ?             ?      
1 1 1 54 4  0  o -1.013000      1.744000      ?             ?      
1 1 1 54 4  1  o 0.7703000      1.235000      ?             ?      
1 1 1 54 4  2  o -1.733000      1.226000      ?             ?      
1 1 1 54 4  3  o 0.1551000      1.184000      ?             ?      
1 1 1 54 4  4  o -0.3105000     1.160000      ?             ?      
1 1 1 54 4  5  o 0.2257000E-01  1.154000      ?             ?      
1 1 1 54 4  6  o 0.6446000      1.022000      ?             ?      
1 1 1 54 4  7  o 0.7255000      1.041000      ?             ?      
1 1 1 54 4  8  o -0.8238000     0.9855000     ?             ?      
1 1 1 54 4  9  o 0.3061000      0.9732000     ?             ?      
1 1 1 54 4  10 o 0.5205000      0.9911000     ?             ?      
1 1 1 54 4  11 o -0.4995000     0.9961000     ?             ?      
1 1 1 54 4  12 o -1.647000      0.9972000     ?             ?      
1 1 1 54 4  13 o 1.211000       1.009000      ?             ?      
1 1 1 54 4  14 o 0.4507000      0.9506000     ?             ?      
1 1 1 54 4  15 o -1.438000      0.9423000     ?             ?      
1 1 1 54 4  16 o -0.9125000     0.9451000     ?             ?      
1 1 1 54 4  17 o -0.3054000     1.017000      ?             ?      
1 1 1 54 4  18 o -1.736000      1.719000      ?             ?      
1 1 1 54 5  0  o -1.446000      1.734000      ?             ?      
1 1 1 54 5  1  o -0.4869000     1.239000      ?             ?      
1 1 1 54 5  2  o -0.7727000     1.409000      ?             ?      
1 1 1 54 5  3  o 0.6741000      1.189000      ?             ?      
1 1 1 54 5  4  o 0.2095000      1.170000      ?             ?      
1 1 1 54 5  5  o -1.680000      1.012000      ?             ?      
1 1 1 54 5  6  o -0.9622000E-01 1.008000      ?             ?      
1 1 1 54 5  7  o -1.383000      1.033000      ?             ?      
1 1 1 54 5  8  o -0.1386000     0.9847000     ?             ?      
1 1 1 54 5  9  o 0.1993000      0.9898000     ?             ?      
1 1 1 54 5  10 o 1.983000       1.068000      ?             ?      
1 1 1 54 5  11 o 0.6923000      1.004000      ?             ?      
1 1 1 54 5  12 o -0.4151000     1.002000      ?             ?      
1 1 1 54 5  13 o 0.6365000      1.013000      ?             ?      
1 1 1 54 5  14 o -0.5424000     0.9459000     ?             ?      
1 1 1 54 5  15 o -0.3010000     0.9558000     ?             ?      
1 1 1 54 5  16 o 1.042000       1.489000      ?             ?      
1 1 1 54 5  17 o -2.093000      1.106000      ?             ?      
1 1 1 54 5  18 o 1.110000       2.467000      ?             ?      
1 1 1 54 6  0  o 0.8738000      1.743000      ?             ?      
1 1 1 54 6  1  o -0.6932000     1.225000      ?             ?      
1 1 1 54 6  2  o -0.1542000     1.169000      ?             ?      
1 1 1 54 6  3  o -0.6611000     1.018000      ?             ?      
1 1 1 54 6  4  o 0.5081000      1.014000      ?             ?      
1 1 1 54 6  5  o 1.974000       1.396000      ?             ?      
1 1 1 54 6  6  o 0.5458000      1.003000      ?             ?      
1 1 1 54 6  7  o 0.1019000      0.9920000     ?             ?      
1 1 1 54 6  8  o -0.7447000     0.9749000     ?             ?      
1 1 1 54 6  9  o -1.027000      0.9814000     ?             ?      
1 1 1 54 6  10 o -0.6544000     0.9731000     ?             ?      
1 1 1 54 6  11 o -0.4348000     0.9963000     ?             ?      
1 1 1 54 6  12 o -1.781000      0.9979000     ?             ?      
1 1 1 54 6  13 o -0.3668000     1.013000      ?             ?      
1 1 1 54 6  14 o 1.478000       1.023000      ?             ?      
1 1 1 54 6  15 o 1.986000       1.065000      ?             ?      
1 1 1 54 6  16 o -0.2764000     1.057000      ?             ?      
1 1 1 54 6  17 o -3.267000      1.251000      ?             ?      
1 1 1 54 6  18 o -1.028000      2.449000      ?             ?      
1 1 1 54 7  0  o 1.481000       1.356000      ?             ?      
1 1 1 54 7  1  o -1.108000      0.9608000     ?             ?      
1 1 1 54 7  2  o -0.4313000     0.9990000     ?             ?      
1 1 1 54 7  3  o -1.728000      1.012000      ?             ?      
1 1 1 54 7  4  o -0.8282000     1.003000      ?             ?      
1 1 1 54 7  5  o -1.204000      1.007000      ?             ?      
1 1 1 54 7  6  o -0.4553000     1.368000      ?             ?      
1 1 1 54 7  7  o 0.2278000      1.000000      ?             ?      
1 1 1 54 7  8  o -0.3294000     1.303000      ?             ?      
1 1 1 54 7  9  o -1.718000      0.9745000     ?             ?      
1 1 1 54 7  10 o -0.9869000     0.9766000     ?             ?      
1 1 1 54 7  11 o 0.9298000      0.9754000     ?             ?      
1 1 1 54 7  12 o -0.8917000     1.006000      ?             ?      
1 1 1 54 7  13 o -0.2661000     1.018000      ?             ?      
1 1 1 54 7  14 o -0.2166000     1.442000      ?             ?      
1 1 1 54 7  15 o 1.398000       1.488000      ?             ?      
1 1 1 54 7  16 o -1.514000      1.016000      ?             ?      
1 1 1 54 7  17 o -1.248000      1.726000      ?             ?      
1 1 1 54 8  0  o 0.4832000      1.392000      ?             ?      
1 1 1 54 8  1  o -0.3402000     0.9845000     ?             ?      
1 1 1 54 8  2  o -1.130000      0.9952000     ?             ?      
1 1 1 54 8  3  o -0.3615000E-01 1.000000      ?             ?      
1 1 1 54 8  4  o -0.5917000E-01 1.015000      ?             ?      
1 1 1 54 8  5  o -1.174000      0.9995000     ?             ?      
1 1 1 54 8  6  o -0.9699000     1.024000      ?             ?      
1 1 1 54 8  7  o -0.2593000     1.026000      ?             ?      
1 1 1 54 8  8  o -0.2333000E-02 0.9673000     ?             ?      
1 1 1 54 8  9  o 0.4102000      0.9818000     ?             ?      
1 1 1 54 8  10 o -0.6981000     0.9751000     ?             ?      
1 1 1 54 8  11 o -0.7748000     1.043000      ?             ?      
1 1 1 54 8  12 o 0.6528000      1.058000      ?             ?      
1 1 1 54 8  13 o -0.4113000     1.038000      ?             ?      
1 1 1 54 8  14 o 0.6540000      1.048000      ?             ?      
1 1 1 54 8  15 o -0.4634000     1.106000      ?             ?      
1 1 1 54 8  16 o 0.7475000      1.199000      ?             ?      
1 1 1 54 8  17 o 2.303000       2.445000      ?             ?      
1 1 1 54 9  0  o -1.746000      1.418000      ?             ?      
1 1 1 54 9  1  o 0.3655000      0.9856000     ?             ?      
1 1 1 54 9  2  o -1.102000      0.9896000     ?             ?      
1 1 1 54 9  3  o -0.2057000     1.008000      ?             ?      
1 1 1 54 9  4  o -3.047000      1.021000      ?             ?      
1 1 1 54 9  5  o -0.9421000     1.001000      ?             ?      
1 1 1 54 9  6  o 0.1265000      0.9927000     ?             ?      
1 1 1 54 9  7  o -0.6604000     1.001000      ?             ?      
1 1 1 54 9  8  o -0.4798000     1.245000      ?             ?      
1 1 1 54 9  9  o -0.5144000     1.034000      ?             ?      
1 1 1 54 9  10 o -0.8397000     0.9829000     ?             ?      
1 1 1 54 9  11 o -0.2066000     0.9855000     ?             ?      
1 1 1 54 9  12 o 2.163000       1.019000      ?             ?      
1 1 1 54 9  13 o -2.119000      1.033000      ?             ?      
1 1 1 54 9  14 o -1.327000      1.462000      ?             ?      
1 1 1 54 9  15 o -0.4129000     1.111000      ?             ?      
1 1 1 54 9  16 o -0.7848000     2.432000      ?             ?      
1 1 1 54 10 0  o -0.3559000     1.525000      ?             ?      
1 1 1 54 10 1  o -0.5867000     1.024000      ?             ?      
1 1 1 54 10 2  o -0.9116000     0.9802000     ?             ?      
1 1 1 54 10 3  o -0.2511000     0.9885000     ?             ?      
1 1 1 54 10 4  o -0.5013000     0.9896000     ?             ?      
1 1 1 54 10 5  o -0.5326000     1.004000      ?             ?      
1 1 1 54 10 6  o -3.389000      1.060000      ?             ?      
1 1 1 54 10 7  o -0.8141000     1.021000      ?             ?      
1 1 1 54 10 8  o -0.1737000     0.9518000     ?             ?      
1 1 1 54 10 9  o 0.2179000      0.9770000     ?             ?      
1 1 1 54 10 10 o -0.5115000     0.9851000     ?             ?      
1 1 1 54 10 11 o -1.321000      1.017000      ?             ?      
1 1 1 54 10 12 o -1.577000      1.027000      ?             ?      
1 1 1 54 10 13 o 0.4973000      1.446000      ?             ?      
1 1 1 54 10 14 o 0.4470000      1.100000      ?             ?      
1 1 1 54 10 15 o 1.880000       2.469000      ?             ?      
1 1 1 54 11 0  o -0.3757000     1.427000      ?             ?      
1 1 1 54 11 1  o -2.489000      1.024000      ?             ?      
1 1 1 54 11 2  o -0.2421000     0.9979000     ?             ?      
1 1 1 54 11 3  o -0.2061000     1.058000      ?             ?      
1 1 1 54 11 4  o 0.4141000      1.067000      ?             ?      
1 1 1 54 11 5  o -0.2863000     1.390000      ?             ?      
1 1 1 54 11 6  o 0.5682000      0.9957000     ?             ?      
1 1 1 54 11 7  o 0.4730000E-01  0.9521000     ?             ?      
1 1 1 54 11 8  o -1.490000      0.9558000     ?             ?      
1 1 1 54 11 9  o -1.497000      0.9956000     ?             ?      
1 1 1 54 11 10 o -1.404000      1.002000      ?             ?      
1 1 1 54 11 11 o 1.006000       1.026000      ?             ?      
1 1 1 54 11 12 o -2.667000      1.434000      ?             ?      
1 1 1 54 11 13 o 0.4562000      1.085000      ?             ?      
1 1 1 54 11 14 o -0.9564000     2.458000      ?             ?      
1 1 1 54 12 0  o -1.125000      1.462000      ?             ?      
1 1 1 54 12 1  o -0.1087000     1.097000      ?             ?      
1 1 1 54 12 2  o -1.253000      0.9806000     ?             ?      
1 1 1 54 12 3  o -0.3111000     0.9848000     ?             ?      
1 1 1 54 12 4  o -0.3262000     1.019000      ?             ?      
1 1 1 54 12 5  o 0.9618000      1.031000      ?             ?      
1 1 1 54 12 6  o -1.369000      0.9984000     ?             ?      
1 1 1 54 12 7  o 0.4526000      0.9572000     ?             ?      
1 1 1 54 12 8  o 0.7000000E-01  0.9877000     ?             ?      
1 1 1 54 12 9  o -0.7396000     0.9940000     ?             ?      
1 1 1 54 12 10 o 1.589000       1.403000      ?             ?      
1 1 1 54 12 11 o -0.5672000     1.063000      ?             ?      
1 1 1 54 12 12 o -0.5257000     1.180000      ?             ?      
1 1 1 54 12 13 o 1.669000       2.475000      ?             ?      
1 1 1 54 13 0  o 1.842000       1.437000      ?             ?      
1 1 1 54 13 1  o -2.199000      1.090000      ?             ?      
1 1 1 54 13 2  o -0.1079000     1.092000      ?             ?      
1 1 1 54 13 3  o -0.7686000     0.9805000     ?             ?      
1 1 1 54 13 4  o 0.3406000      0.9865000     ?             ?      
1 1 1 54 13 5  o -1.346000      1.071000      ?             ?      
1 1 1 54 13 6  o 0.6401000      1.083000      ?             ?      
1 1 1 54 13 7  o -0.8496000     1.025000      ?             ?      
1 1 1 54 13 8  o -1.697000      1.033000      ?             ?      
1 1 1 54 13 9  o 1.089000       1.407000      ?             ?      
1 1 1 54 13 10 o 0.8881000      1.054000      ?             ?      
1 1 1 54 13 11 o 0.9065000      1.176000      ?             ?      
1 1 1 54 13 12 o -3.381000      2.491000      ?             ?      
1 1 1 54 14 0  o 2.401000       1.539000      ?             ?      
1 1 1 54 14 1  o -1.041000      1.062000      ?             ?      
1 1 1 54 14 2  o 2.839000       1.079000      ?             ?      
1 1 1 54 14 3  o 0.2625000      1.066000      ?             ?      
1 1 1 54 14 4  o -1.215000      1.192000      ?             ?      
1 1 1 54 14 5  o 0.4811000      1.218000      ?             ?      
1 1 1 54 14 6  o -0.7711000     1.084000      ?             ?      
1 1 1 54 14 7  o 0.9810000E-01  1.049000      ?             ?      
1 1 1 54 14 8  o -0.5249000     1.038000      ?             ?      
1 1 1 54 14 9  o -0.6391000     1.711000      ?             ?      
1 1 1 54 14 10 f -1.061000      2.501000      ?             ?      
1 1 1 54 15 0  o -1.276000      1.513000      ?             ?      
1 1 1 54 15 1  o -0.1856000     1.067000      ?             ?      
1 1 1 54 15 2  o -0.6504000     1.088000      ?             ?      
1 1 1 54 15 3  o -1.110000      1.077000      ?             ?      
1 1 1 54 15 4  o 0.5861000      1.066000      ?             ?      
1 1 1 54 15 5  o -0.9524000     1.527000      ?             ?      
1 1 1 54 15 6  o -0.5507000E-01 1.043000      ?             ?      
1 1 1 54 15 7  o -2.890000      3.201000      ?             ?      
1 1 1 54 15 8  < 0.000000       -1.000000     ?             ?      
1 1 1 54 16 0  o 0.2907000      2.027000      ?             ?      
1 1 1 54 16 1  o 1.909000       1.507000      ?             ?      
1 1 1 54 16 2  o -1.538000      1.498000      ?             ?      
1 1 1 54 16 3  o -4.176000      2.593000      ?             ?      
1 1 1 54 16 4  o -0.4767000     1.486000      ?             ?      
1 1 1 54 16 5  o -1.437000      2.487000      ?             ?      
1 1 1 54 16 6  o -2.511000      2.478000      ?             ?      
1 1 1 55 0  1  o -1.094000      1.218000      ?             ?      
1 1 1 55 0  2  o -0.1752000     1.221000      ?             ?      
1 1 1 55 0  3  o -1.265000      1.219000      ?             ?      
1 1 1 55 0  4  o 2.307000       1.229000      ?             ?      
1 1 1 55 0  5  o -0.3342000     1.289000      ?             ?      
1 1 1 55 0  6  o -1.759000      1.338000      ?             ?      
1 1 1 55 0  7  o -1.181000      1.329000      ?             ?      
1 1 1 55 0  8  o 1.222000       1.337000      ?             ?      
1 1 1 55 0  9  o 1.061000       1.358000      ?             ?      
1 1 1 55 0  10 o -0.8265000     1.377000      ?             ?      
1 1 1 55 0  11 o -1.461000      1.373000      ?             ?      
1 1 1 55 0  12 o 0.5066000      2.561000      ?             ?      
1 1 1 55 1  0  o -0.2146000     1.228000      ?             ?      
1 1 1 55 1  1  o 1.024000       0.8703000     ?             ?      
1 1 1 55 1  2  o -0.8684000E-01 0.8622000     ?             ?      
1 1 1 55 1  3  o -0.3213000     0.8654000     ?             ?      
1 1 1 55 1  4  o 0.4982000      0.8865000     ?             ?      
1 1 1 55 1  5  o -1.313000      0.9157000     ?             ?      
1 1 1 55 1  6  o -0.4920000     0.9563000     ?             ?      
1 1 1 55 1  7  o 0.2796000      0.9516000     ?             ?      
1 1 1 55 1  8  o 0.4531000      0.9552000     ?             ?      
1 1 1 55 1  9  o -0.7228000     0.9669000     ?             ?      
1 1 1 55 1  10 o -0.7659000     1.393000      ?             ?      
1 1 1 55 1  11 o 0.3061000      0.9794000     ?             ?      
1 1 1 55 1  12 o 1.269000       1.843000      ?             ?      
1 1 1 55 2  0  o 0.5773000      1.242000      ?             ?      
1 1 1 55 2  1  o 0.7988000      0.8725000     ?             ?      
1 1 1 55 2  2  o 0.6872000      0.8654000     ?             ?      
1 1 1 55 2  3  o 0.4720000      0.8685000     ?             ?      
1 1 1 55 2  4  o 0.4682000      0.8851000     ?             ?      
1 1 1 55 2  5  o 0.5190000      0.8839000     ?             ?      
1 1 1 55 2  6  o 0.5846000      0.9430000     ?             ?      
1 1 1 55 2  7  o -0.4513000     0.9509000     ?             ?      
1 1 1 55 2  8  o 0.7810000      0.9574000     ?             ?      
1 1 1 55 2  9  o -0.6101000     0.9667000     ?             ?      
1 1 1 55 2  10 o -0.2182000     0.9679000     ?             ?      
1 1 1 55 2  11 o 1.451000       1.208000      ?             ?      
1 1 1 55 2  12 o 2.520000       2.572000      ?             ?      
1 1 1 55 3  0  o 0.1772000      1.229000      ?             ?      
1 1 1 55 3  1  o 0.4625000      0.8726000     ?             ?      
1 1 1 55 3  2  o 0.7122000      0.8682000     ?             ?      
1 1 1 55 3  3  o 0.2016000E-01  0.8949000     ?             ?      
1 1 1 55 3  4  o 0.7453000E-01  0.8965000     ?             ?      
1 1 1 55 3  5  o -0.2341000     0.9386000     ?             ?      
1 1 1 55 3  6  o -0.7133000     0.9511000     ?             ?      
1 1 1 55 3  7  o -1.903000      0.9579000     ?             ?      
1 1 1 55 3  8  o -0.8725000     0.9581000     ?             ?      
1 1 1 55 3  9  o 0.7286000      1.379000      ?             ?      
1 1 1 55 3  10 o -0.3878000     1.399000      ?             ?      
1 1 1 55 3  11 o 0.7828000      1.193000      ?             ?      
1 1 1 55 3  12 o -2.051000      2.548000      ?             ?      
1 1 1 55 4  0  o 2.089000       1.233000      ?             ?      
1 1 1 55 4  1  o -0.6948000     0.8670000     ?             ?      
1 1 1 55 4  2  o 0.4638000      0.8644000     ?             ?      
1 1 1 55 4  3  o -1.269000      0.8842000     ?             ?      
1 1 1 55 4  4  o -0.4969000     0.9433000     ?             ?      
1 1 1 55 4  5  o 0.4727000      1.367000      ?             ?      
1 1 1 55 4  6  o -0.1627000E-01 0.9415000     ?             ?      
1 1 1 55 4  7  o -0.2648000     0.9520000     ?             ?      
1 1 1 55 4  8  o 0.9054000      0.9673000     ?             ?      
1 1 1 55 4  9  o -0.6180000     0.9691000     ?             ?      
1 1 1 55 4  10 o -0.5747000E-01 0.9663000     ?             ?      
1 1 1 55 4  11 o -2.768000      1.567000      ?             ?      
1 1 1 55 4  12 o -1.206000      2.493000      ?             ?      
1 1 1 55 5  0  o 1.399000       1.308000      ?             ?      
1 1 1 55 5  1  o -0.4466000     0.9263000     ?             ?      
1 1 1 55 5  2  o 0.8174000      0.9344000     ?             ?      
1 1 1 55 5  3  o -0.4037000     0.9375000     ?             ?      
1 1 1 55 5  4  o -0.1429000     0.9427000     ?             ?      
1 1 1 55 5  5  o 0.1793000      0.9369000     ?             ?      
1 1 1 55 5  6  o -0.1694000     0.9370000     ?             ?      
1 1 1 55 5  7  o 0.5296000      0.9547000     ?             ?      
1 1 1 55 5  8  o -0.7477000     0.9611000     ?             ?      
1 1 1 55 5  9  o 0.7361000      0.9803000     ?             ?      
1 1 1 55 5  10 o 2.352000       1.183000      ?             ?      
1 1 1 55 5  11 o 1.352000       2.519000      ?             ?      
1 1 1 55 6  0  o -0.8699000     1.306000      ?             ?      
1 1 1 55 6  1  o -1.270000      0.9214000     ?             ?      
1 1 1 55 6  2  o 0.4432000      0.9288000     ?             ?      
1 1 1 55 6  3  o -1.665000      0.9397000     ?             ?      
1 1 1 55 6  4  o 0.9160000      0.9520000     ?             ?      
1 1 1 55 6  5  o 0.4525000      0.9356000     ?             ?      
1 1 1 55 6  6  o -1.834000      0.9360000     ?             ?      
1 1 1 55 6  7  o -0.4711000     0.9423000     ?             ?      
1 1 1 55 6  8  o 1.533000       1.380000      ?             ?      
1 1 1 55 6  9  o -1.386000      1.166000      ?             ?      
1 1 1 55 6  10 o -2.043000      2.557000      ?             ?      
1 1 1 55 6  11 o -1.588000      2.561000      ?             ?      
1 1 1 55 7  0  o -0.8947000     1.286000      ?             ?      
1 1 1 55 7  1  o -1.340000      0.9308000     ?             ?      
1 1 1 55 7  2  o 0.2606000      0.9356000     ?             ?      
1 1 1 55 7  3  o -1.377000      0.9412000     ?             ?      
1 1 1 55 7  4  o -1.423000      0.9398000     ?             ?      
1 1 1 55 7  5  o 0.1090000      1.359000      ?             ?      
1 1 1 55 7  6  o -0.2672000     0.9483000     ?             ?      
1 1 1 55 7  7  o -0.3129000     0.9483000     ?             ?      
1 1 1 55 7  8  o -2.538000      1.725000      ?             ?      
1 1 1 55 7  9  o -3.771000      2.569000      ?             ?      
1 1 1 55 7  10 o 0.4106000      2.527000      ?             ?      
1 1 1 55 8  0  o -1.595000      1.280000      ?             ?      
1 1 1 55 8  1  o 0.4981000      0.9245000     ?             ?      
1 1 1 55 8  2  o -1.441000      1.346000      ?             ?      
1 1 1 55 8  3  o -0.5055000     0.9448000     ?             ?      
1 1 1 55 8  4  o 0.9354000      0.9472000     ?             ?      
1 1 1 55 8  5  o -0.2124000     0.9605000     ?             ?      
1 1 1 55 8  6  o -1.072000      0.9508000     ?             ?      
1 1 1 55 8  7  o 4.197000       1.744000      ?             ?      
1 1 1 55 8  8  o 2.406000       2.575000      ?             ?      
1 1 1 55 8  9  o 0.4376000      2.522000      ?             ?      
1 1 1 55 9  0  o -1.348000      1.337000      ?             ?      
1 1 1 55 9  1  o -1.405000      0.9325000     ?             ?      
1 1 1 55 9  2  o 0.5253000      0.9455000     ?             ?      
1 1 1 55 9  3  o 0.3557000      0.9464000     ?             ?      
1 1 1 55 9  4  o 0.2533000      0.9456000     ?             ?      
1 1 1 55 9  5  o 1.470000       1.081000      ?             ?      
1 1 1 55 9  6  o 0.1012000      1.246000      ?             ?      
1 1 1 55 9  7  o 2.354000       2.636000      ?             ?      
1 1 1 55 10 0  o 1.818000       1.672000      ?             ?      
1 1 1 55 10 1  o -1.711000      1.052000      ?             ?      
1 1 1 55 10 2  o -0.8325000     1.689000      ?             ?      
1 1 1 55 10 3  o -0.4223000     1.052000      ?             ?      
1 1 1 55 10 4  o 4.542000       2.744000      ?             ?      
1 1 1 55 10 5  o 1.221000       2.692000      ?             ?      
1 1 1 0  0  2  x ?              ?             ?             ?      
1 1 1 0  0  4  x ?              ?             ?             ?      
1 1 1 0  0  18 x ?              ?             ?             ?      
1 1 1 0  0  52 x ?              ?             ?             ?      
1 1 1 0  1  1  x ?              ?             ?             ?      
1 1 1 0  1  2  x ?              ?             ?             ?      
1 1 1 0  1  3  x ?              ?             ?             ?      
1 1 1 0  2  0  x ?              ?             ?             ?      
1 1 1 0  2  1  x ?              ?             ?             ?      
1 1 1 0  2  3  x ?              ?             ?             ?      
1 1 1 0  3  3  x ?              ?             ?             ?      
1 1 1 0  4  0  x ?              ?             ?             ?      
1 1 1 0  4  1  x ?              ?             ?             ?      
1 1 1 0  4  2  x ?              ?             ?             ?      
1 1 1 0  10 13 x ?              ?             ?             ?      
1 1 1 0  10 23 x ?              ?             ?             ?      
1 1 1 0  12 24 x ?              ?             ?             ?      
1 1 1 0  17 10 x ?              ?             ?             ?      
1 1 1 0  17 44 x ?              ?             ?             ?      
1 1 1 0  18 9  x ?              ?             ?             ?      
1 1 1 0  18 27 x ?              ?             ?             ?      
1 1 1 0  19 9  x ?              ?             ?             ?      
1 1 1 0  20 8  x ?              ?             ?             ?      
1 1 1 0  21 8  x ?              ?             ?             ?      
1 1 1 0  21 9  x ?              ?             ?             ?      
1 1 1 0  22 0  x ?              ?             ?             ?      
1 1 1 0  25 11 x ?              ?             ?             ?      
1 1 1 0  25 23 x ?              ?             ?             ?      
1 1 1 0  25 44 x ?              ?             ?             ?      
1 1 1 0  26 18 x ?              ?             ?             ?      
1 1 1 0  29 21 x ?              ?             ?             ?      
1 1 1 0  30 21 x ?              ?             ?             ?      
1 1 1 0  31 20 x ?              ?             ?             ?      
1 1 1 0  32 20 x ?              ?             ?             ?      
1 1 1 0  33 19 x ?              ?             ?             ?      
1 1 1 0  34 9  x ?              ?             ?             ?      
1 1 1 0  34 19 x ?              ?             ?             ?      
1 1 1 0  35 18 x ?              ?             ?             ?      
1 1 1 0  36 18 x ?              ?             ?             ?      
1 1 1 0  37 17 x ?              ?             ?             ?      
1 1 1 0  38 0  x ?              ?             ?             ?      
1 1 1 0  38 17 x ?              ?             ?             ?      
1 1 1 0  38 18 x ?              ?             ?             ?      
1 1 1 0  39 7  x ?              ?             ?             ?      
1 1 1 0  39 16 x ?              ?             ?             ?      
1 1 1 0  40 16 x ?              ?             ?             ?      
1 1 1 0  40 32 x ?              ?             ?             ?      
1 1 1 0  41 14 x ?              ?             ?             ?      
1 1 1 0  41 15 x ?              ?             ?             ?      
1 1 1 0  42 15 x ?              ?             ?             ?      
1 1 1 0  42 31 x ?              ?             ?             ?      
1 1 1 0  43 14 x ?              ?             ?             ?      
1 1 1 0  44 14 x ?              ?             ?             ?      
1 1 1 0  44 30 x ?              ?             ?             ?      
1 1 1 0  45 13 x ?              ?             ?             ?      
1 1 1 0  46 13 x ?              ?             ?             ?      
1 1 1 0  46 29 x ?              ?             ?             ?      
1 1 1 0  47 28 x ?              ?             ?             ?      
1 1 1 0  48 12 x ?              ?             ?             ?      
1 1 1 0  48 28 x ?              ?             ?             ?      
1 1 1 0  49 16 x ?              ?             ?             ?      
1 1 1 1  0  1  x ?              ?             ?             ?      
1 1 1 1  0  2  x ?              ?             ?             ?      
1 1 1 1  0  18 x ?              ?             ?             ?      
1 1 1 1  0  36 x ?              ?             ?             ?      
1 1 1 1  0  52 x ?              ?             ?             ?      
1 1 1 1  1  0  x ?              ?             ?             ?      
1 1 1 1  1  1  x ?              ?             ?             ?      
1 1 1 1  1  3  x ?              ?             ?             ?      
1 1 1 1  2  2  x ?              ?             ?             ?      
1 1 1 1  2  3  x ?              ?             ?             ?      
1 1 1 1  3  2  x ?              ?             ?             ?      
1 1 1 1  4  2  x ?              ?             ?             ?      
1 1 1 1  6  59 x ?              ?             ?             ?      
1 1 1 1  7  60 x ?              ?             ?             ?      
1 1 1 1  8  46 x ?              ?             ?             ?      
1 1 1 1  8  54 x ?              ?             ?             ?      
1 1 1 1  8  57 x ?              ?             ?             ?      
1 1 1 1  9  56 x ?              ?             ?             ?      
1 1 1 1  11 21 x ?              ?             ?             ?      
1 1 1 1  11 52 x ?              ?             ?             ?      
1 1 1 1  12 44 x ?              ?             ?             ?      
1 1 1 1  18 27 x ?              ?             ?             ?      
1 1 1 1  20 8  x ?              ?             ?             ?      
1 1 1 1  21 8  x ?              ?             ?             ?      
1 1 1 1  22 29 x ?              ?             ?             ?      
1 1 1 1  31 20 x ?              ?             ?             ?      
1 1 1 1  31 49 x ?              ?             ?             ?      
1 1 1 1  33 19 x ?              ?             ?             ?      
1 1 1 1  34 40 x ?              ?             ?             ?      
1 1 1 1  35 18 x ?              ?             ?             ?      
1 1 1 1  37 17 x ?              ?             ?             ?      
1 1 1 1  38 0  x ?              ?             ?             ?      
1 1 1 1  39 16 x ?              ?             ?             ?      
1 1 1 1  40 32 x ?              ?             ?             ?      
1 1 1 1  41 15 x ?              ?             ?             ?      
1 1 1 1  42 31 x ?              ?             ?             ?      
1 1 1 1  44 14 x ?              ?             ?             ?      
1 1 1 1  44 30 x ?              ?             ?             ?      
1 1 1 1  46 13 x ?              ?             ?             ?      
1 1 1 1  46 29 x ?              ?             ?             ?      
1 1 1 2  0  18 x ?              ?             ?             ?      
1 1 1 2  0  52 x ?              ?             ?             ?      
1 1 1 2  1  28 x ?              ?             ?             ?      
1 1 1 2  2  52 x ?              ?             ?             ?      
1 1 1 2  3  42 x ?              ?             ?             ?      
1 1 1 2  9  22 x ?              ?             ?             ?      
1 1 1 2  10 13 x ?              ?             ?             ?      
1 1 1 2  12 24 x ?              ?             ?             ?      
1 1 1 2  16 43 x ?              ?             ?             ?      
1 1 1 2  17 57 x ?              ?             ?             ?      
1 1 1 2  18 43 x ?              ?             ?             ?      
1 1 1 2  18 58 x ?              ?             ?             ?      
1 1 1 2  21 8  x ?              ?             ?             ?      
1 1 1 2  21 54 x ?              ?             ?             ?      
1 1 1 2  21 57 x ?              ?             ?             ?      
1 1 1 2  22 51 x ?              ?             ?             ?      
1 1 1 2  22 54 x ?              ?             ?             ?      
1 1 1 2  23 56 x ?              ?             ?             ?      
1 1 1 2  31 20 x ?              ?             ?             ?      
1 1 1 2  33 19 x ?              ?             ?             ?      
1 1 1 2  35 18 x ?              ?             ?             ?      
1 1 1 2  37 17 x ?              ?             ?             ?      
1 1 1 2  39 16 x ?              ?             ?             ?      
1 1 1 2  41 15 x ?              ?             ?             ?      
1 1 1 2  48 12 x ?              ?             ?             ?      
1 1 1 3  2  0  x ?              ?             ?             ?      
1 1 1 3  2  1  x ?              ?             ?             ?      
1 1 1 3  12 60 x ?              ?             ?             ?      
1 1 1 3  14 10 x ?              ?             ?             ?      
1 1 1 3  16 59 x ?              ?             ?             ?      
1 1 1 3  17 57 x ?              ?             ?             ?      
1 1 1 3  20 8  x ?              ?             ?             ?      
1 1 1 3  24 14 x ?              ?             ?             ?      
1 1 1 3  33 19 x ?              ?             ?             ?      
1 1 1 3  35 0  x ?              ?             ?             ?      
1 1 1 3  35 18 x ?              ?             ?             ?      
1 1 1 3  41 15 x ?              ?             ?             ?      
1 1 1 3  43 14 x ?              ?             ?             ?      
1 1 1 3  47 28 x ?              ?             ?             ?      
1 1 1 4  0  17 x ?              ?             ?             ?      
1 1 1 4  0  35 x ?              ?             ?             ?      
1 1 1 4  2  45 x ?              ?             ?             ?      
1 1 1 4  3  46 x ?              ?             ?             ?      
1 1 1 4  3  57 x ?              ?             ?             ?      
1 1 1 4  17 57 x ?              ?             ?             ?      
1 1 1 4  22 54 x ?              ?             ?             ?      
1 1 1 4  35 0  x ?              ?             ?             ?      
1 1 1 4  43 30 x ?              ?             ?             ?      
1 1 1 4  45 29 x ?              ?             ?             ?      
1 1 1 5  7  55 x ?              ?             ?             ?      
1 1 1 5  8  28 x ?              ?             ?             ?      
1 1 1 5  10 52 x ?              ?             ?             ?      
1 1 1 5  11 38 x ?              ?             ?             ?      
1 1 1 5  11 45 x ?              ?             ?             ?      
1 1 1 5  12 60 x ?              ?             ?             ?      
1 1 1 5  15 9  x ?              ?             ?             ?      
1 1 1 6  1  57 x ?              ?             ?             ?      
1 1 1 6  22 24 x ?              ?             ?             ?      
1 1 1 6  24 43 x ?              ?             ?             ?      
1 1 1 6  31 0  x ?              ?             ?             ?      
1 1 1 7  0  34 x ?              ?             ?             ?      
1 1 1 7  8  53 x ?              ?             ?             ?      
1 1 1 7  9  55 x ?              ?             ?             ?      
1 1 1 7  15 56 x ?              ?             ?             ?      
1 1 1 8  1  7  x ?              ?             ?             ?      
1 1 1 8  1  51 x ?              ?             ?             ?      
1 1 1 8  28 0  x ?              ?             ?             ?      
1 1 1 9  0  12 x ?              ?             ?             ?      
1 1 1 9  6  33 x ?              ?             ?             ?      
1 1 1 9  8  45 x ?              ?             ?             ?      
1 1 1 9  9  44 x ?              ?             ?             ?      
1 1 1 9  9  55 x ?              ?             ?             ?      
1 1 1 9  10 32 x ?              ?             ?             ?      
1 1 1 9  11 52 x ?              ?             ?             ?      
1 1 1 9  16 5  x ?              ?             ?             ?      
1 1 1 9  29 0  x ?              ?             ?             ?      
1 1 1 10 0  10 x ?              ?             ?             ?      
1 1 1 10 0  50 x ?              ?             ?             ?      
1 1 1 10 11 27 x ?              ?             ?             ?      
1 1 1 10 25 20 x ?              ?             ?             ?      
1 1 1 11 0  7  x ?              ?             ?             ?      
1 1 1 11 13 54 x ?              ?             ?             ?      
1 1 1 11 18 0  x ?              ?             ?             ?      
1 1 1 12 0  0  x ?              ?             ?             ?      
1 1 1 12 0  1  x ?              ?             ?             ?      
1 1 1 12 0  2  x ?              ?             ?             ?      
1 1 1 12 0  3  x ?              ?             ?             ?      
1 1 1 12 0  4  x ?              ?             ?             ?      
1 1 1 12 1  0  x ?              ?             ?             ?      
1 1 1 12 1  1  x ?              ?             ?             ?      
1 1 1 12 1  2  x ?              ?             ?             ?      
1 1 1 12 2  0  x ?              ?             ?             ?      
1 1 1 12 5  3  x ?              ?             ?             ?      
1 1 1 12 6  1  x ?              ?             ?             ?      
1 1 1 12 7  1  x ?              ?             ?             ?      
1 1 1 12 25 19 x ?              ?             ?             ?      
1 1 1 13 21 0  x ?              ?             ?             ?      
1 1 1 15 25 0  x ?              ?             ?             ?      
1 1 1 15 30 42 x ?              ?             ?             ?      
1 1 1 18 0  23 x ?              ?             ?             ?      
1 1 1 18 3  31 x ?              ?             ?             ?      
1 1 1 18 10 2  x ?              ?             ?             ?      
1 1 1 18 14 0  x ?              ?             ?             ?      
1 1 1 19 0  2  x ?              ?             ?             ?      
1 1 1 19 5  19 x ?              ?             ?             ?      
1 1 1 20 0  0  x ?              ?             ?             ?      
1 1 1 20 0  19 x ?              ?             ?             ?      
1 1 1 20 11 2  x ?              ?             ?             ?      
1 1 1 21 1  0  x ?              ?             ?             ?      
1 1 1 21 21 0  x ?              ?             ?             ?      
1 1 1 21 23 0  x ?              ?             ?             ?      
1 1 1 22 12 0  x ?              ?             ?             ?      
1 1 1 22 16 3  x ?              ?             ?             ?      
1 1 1 23 0  2  x ?              ?             ?             ?      
1 1 1 23 0  8  x ?              ?             ?             ?      
1 1 1 23 10 0  x ?              ?             ?             ?      
1 1 1 24 0  0  x ?              ?             ?             ?      
1 1 1 24 0  6  x ?              ?             ?             ?      
1 1 1 24 11 10 x ?              ?             ?             ?      
1 1 1 24 18 0  x ?              ?             ?             ?      
# 
#END OF REFLECTIONS
